NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17287 |
2bzm   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI (
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
OR
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
6.000 6.000 0.000 peak 9697 weight 0.10000E+01 volume -0.16700E+00 ppm1 3.450 ppm2 0.103
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
6.000 6.000 0.000 peak 9663 weight 0.10000E+01 volume -0.16900E+00 ppm1 6.826 ppm2 0.115
ASSI (
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
OR
(( segid " " and resid 1112 and name HB2 ))
)
5.000 5.000 0.000 peak 7301 weight 0.10000E+01 volume -0.68800E+00 ppm1 3.463 ppm2 0.379
ASSI (
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1160 and name HG2 ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
5.000 5.000 0.000 peak 7926 weight 0.10000E+01 volume 0.43700E+00 ppm1 1.703 ppm2 0.392
ASSI (
(( segid " " and resid 1170 and name HB2 ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 7760 weight 0.10000E+01 volume -0.18800E+00 ppm1 3.710 ppm2 -0.397
ASSI (
(( segid " " and resid 1169 and name HG12))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
6.000 6.000 0.000 peak 9518 weight 0.10000E+01 volume 0.38600E+00 ppm1 0.965 ppm2 0.420
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
2.700 2.700 0.000 peak 9646 weight 0.10000E+01 volume 0.55690E+01 ppm1 0.626 ppm2 0.434
ASSI (
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
OR
(( segid " " and resid 1113 and name HG1 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
5.000 5.000 0.000 peak 9221 weight 0.10000E+01 volume 0.49300E+00 ppm1 1.978 ppm2 0.439
ASSI (
(( segid " " and resid 1160 and name HG1 ))
)(
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
5.000 5.000 0.000 peak 9491 weight 0.10000E+01 volume 0.11520E+01 ppm1 1.859 ppm2 0.445
ASSI (
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
6.000 6.000 0.000 peak 7307 weight 0.10000E+01 volume -0.37800E+00 ppm1 3.472 ppm2 0.515
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
6.000 6.000 0.000 peak 7308 weight 0.10000E+01 volume -0.34000E+00 ppm1 3.551 ppm2 0.515
ASSI (
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 8304 weight 0.10000E+01 volume 0.14760E+01 ppm1 1.821 ppm2 0.585
ASSI (
(( segid " " and resid 1203 and name HB2 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
6.000 6.000 0.000 peak 8127 weight 0.10000E+01 volume 0.33500E+00 ppm1 1.772 ppm2 0.590
ASSI (
(( segid " " and resid 1220 and name HA ))
OR
(( segid " " and resid 1162 and name HA ))
OR
(( segid " " and resid 1137 and name HA ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
OR
(( segid " " and resid 1115 and name HG12))
)
6.000 6.000 0.000 peak 7596 weight 0.10000E+01 volume -0.31100E+00 ppm1 4.487 ppm2 0.658
ASSI (
(( segid " " and resid 1208 and name HB2 ))
OR
(( segid " " and resid 1170 and name HB2 ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 8012 weight 0.10000E+01 volume -0.61000E+00 ppm1 3.676 ppm2 0.663
ASSI (
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 8113 weight 0.10000E+01 volume -0.55700E+00 ppm1 6.717 ppm2 0.665
ASSI (
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1208 and name HB1 ))
OR
(( segid " " and resid 1170 and name HB1 ))
OR
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
OR
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
OR
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
6.000 6.000 0.000 peak 8013 weight 0.10000E+01 volume -0.38700E+00 ppm1 3.924 ppm2 0.667
ASSI (
(( segid " " and resid 1226 and name HG1 ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
OR
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
5.000 5.000 0.000 peak 9287 weight 0.10000E+01 volume 0.86400E+00 ppm1 2.079 ppm2 0.694
ASSI (
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1108 and name HB1 ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
OR
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)
3.300 3.300 0.000 peak 8323 weight 0.10000E+01 volume 0.17540E+01 ppm1 1.823 ppm2 0.779
ASSI (
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 8284 weight 0.10000E+01 volume 0.53500E+00 ppm1 2.016 ppm2 0.799
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
3.300 3.300 0.000 peak 7949 weight 0.10000E+01 volume 0.17090E+01 ppm1 1.076 ppm2 0.822
ASSI (
(( segid " " and resid 1167 and name HA ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
6.000 6.000 0.000 peak 6541 weight 0.10000E+01 volume -0.32100E+00 ppm1 4.795 ppm2 0.828
ASSI (
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1108 and name HB2 ))
)(
(( segid " " and resid 1150 and name HG11))
OR
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
5.000 5.000 0.000 peak 7130 weight 0.10000E+01 volume 0.71600E+00 ppm1 1.670 ppm2 0.831
ASSI (
(( segid " " and resid 1108 and name HB1 ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)
5.000 5.000 0.000 peak 8324 weight 0.10000E+01 volume 0.12130E+01 ppm1 1.799 ppm2 0.839
ASSI (
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
OR
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
OR
(( segid " " and resid 1125 and name HB2 ))
)
6.000 6.000 0.000 peak 9661 weight 0.10000E+01 volume -0.15300E+00 ppm1 7.119 ppm2 0.843
ASSI (
(( segid " " and resid 1134 and name HA ))
OR
(( segid " " and resid 1126 and name HA ))
)(
(( segid " " and resid 1150 and name HG11))
OR
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
OR
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
OR
(( segid " " and resid 1125 and name HB2 ))
)
6.000 6.000 0.000 peak 9130 weight 0.10000E+01 volume -0.30400E+00 ppm1 4.379 ppm2 0.855
ASSI (
(( segid " " and resid 1214 and name HG ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 9333 weight 0.10000E+01 volume 0.80900E+00 ppm1 1.696 ppm2 0.934
ASSI (
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
OR
(( segid " " and resid 1169 and name HG12))
)
6.000 6.000 0.000 peak 7503 weight 0.10000E+01 volume -0.18100E+00 ppm1 4.158 ppm2 0.939
ASSI (
(( segid " " and resid 1226 and name HA ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 7410 weight 0.10000E+01 volume -0.25900E+00 ppm1 4.498 ppm2 0.966
ASSI (
(( segid " " and resid 1206 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB1 ))
)(
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 8321 weight 0.10000E+01 volume 0.59700E+00 ppm1 1.841 ppm2 0.977
ASSI (
(( segid " " and resid 1135 and name HB2 ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 8322 weight 0.10000E+01 volume 0.75700E+00 ppm1 1.739 ppm2 0.986
ASSI (
(( segid " " and resid 1214 and name HG ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
5.000 5.000 0.000 peak 7924 weight 0.10000E+01 volume 0.12080E+01 ppm1 1.702 ppm2 1.089
ASSI (
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
OR
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)(
(( segid " " and resid 1230 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
5.000 5.000 0.000 peak 9275 weight 0.10000E+01 volume 0.15410E+01 ppm1 2.808 ppm2 1.100
ASSI (
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1203 and name HG1 ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)
6.000 6.000 0.000 peak 8023 weight 0.10000E+01 volume 0.29400E+00 ppm1 1.795 ppm2 1.101
ASSI (
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB1 ))
)(
(( segid " " and resid 1230 and name HG2 ))
OR
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)
5.000 5.000 0.000 peak 8325 weight 0.10000E+01 volume 0.56800E+00 ppm1 1.820 ppm2 1.105
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
OR
(( segid " " and resid 1179 and name HG11))
OR
(( segid " " and resid 1173 and name HB ))
)
5.000 5.000 0.000 peak 6641 weight 0.10000E+01 volume -0.95500E+00 ppm1 4.163 ppm2 1.108
ASSI (
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
OR
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1202 and name HG1 ))
)
5.000 5.000 0.000 peak 9284 weight 0.10000E+01 volume 0.15180E+01 ppm1 2.808 ppm2 1.213
ASSI (
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1160 and name HG2 ))
)(
(( segid " " and resid 1202 and name HD2 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
OR
(( segid " " and resid 1112 and name HB1 ))
)
5.000 5.000 0.000 peak 9346 weight 0.10000E+01 volume 0.57500E+00 ppm1 1.754 ppm2 1.251
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1125 and name HB1 ))
OR
(( segid " " and resid 1112 and name HB1 ))
)
6.000 6.000 0.000 peak 7305 weight 0.10000E+01 volume -0.30700E+00 ppm1 3.531 ppm2 1.299
ASSI (
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1108 and name HG2 ))
)
5.000 5.000 0.000 peak 7974 weight 0.10000E+01 volume -0.11050E+01 ppm1 4.276 ppm2 1.304
ASSI (
(( segid " " and resid 1188 and name HA ))
)(
(( segid " " and resid 1188 and name HG2 ))
)
5.000 5.000 0.000 peak 8280 weight 0.10000E+01 volume -0.12960E+01 ppm1 4.396 ppm2 1.324
ASSI (
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1166 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
OR
(( segid " " and resid 1144 and name HG ))
)
5.000 5.000 0.000 peak 9403 weight 0.10000E+01 volume 0.12210E+01 ppm1 0.661 ppm2 1.370
ASSI (
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1160 and name HG2 ))
)(
(( segid " " and resid 1202 and name HD1 ))
OR
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
OR
(( segid " " and resid 1149 and name HG2 ))
OR
(( segid " " and resid 1144 and name HG ))
OR
(( segid " " and resid 1120 and name HG11))
)
5.000 5.000 0.000 peak 9345 weight 0.10000E+01 volume 0.75700E+00 ppm1 1.754 ppm2 1.382
ASSI (
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1108 and name HG1 ))
)
3.300 3.300 0.000 peak 7973 weight 0.10000E+01 volume -0.28610E+01 ppm1 4.274 ppm2 1.399
ASSI (
(( segid " " and resid 1166 and name HB1 ))
)(
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 9562 weight 0.10000E+01 volume 0.26400E+00 ppm1 2.222 ppm2 1.402
ASSI (
(( segid " " and resid 1166 and name HG1 ))
)(
(( segid " " and resid 1166 and name HG2 ))
)
5.000 5.000 0.000 peak 9566 weight 0.10000E+01 volume 0.14890E+01 ppm1 1.520 ppm2 1.405
ASSI (
(( segid " " and resid 1188 and name HA ))
)(
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1185 and name HB2 ))
)
5.000 5.000 0.000 peak 8281 weight 0.10000E+01 volume -0.10790E+01 ppm1 4.394 ppm2 1.408
ASSI (
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
OR
(( segid " " and resid 1153 and name HD2 ))
OR
(( segid " " and resid 1153 and name HD1 ))
)(
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
OR
(( segid " " and resid 1153 and name HG2 ))
)
3.300 3.300 0.000 peak 7049 weight 0.10000E+01 volume 0.28510E+01 ppm1 3.187 ppm2 1.455
ASSI (
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)(
(( segid " " and resid 1192 and name HB2 ))
)
6.000 6.000 0.000 peak 9711 weight 0.10000E+01 volume 0.36000E+00 ppm1 2.134 ppm2 1.460
ASSI (
(( segid " " and resid 1207 and name HG ))
)(
(( segid " " and resid 1207 and name HB2 ))
)
5.000 5.000 0.000 peak 8025 weight 0.10000E+01 volume 0.70600E+00 ppm1 1.794 ppm2 1.463
ASSI (
(( segid " " and resid 1222 and name HE2 ))
OR
(( segid " " and resid 1222 and name HE1 ))
OR
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)(
(( segid " " and resid 1222 and name HG1 ))
OR
(( segid " " and resid 1148 and name HG2 ))
)
5.000 5.000 0.000 peak 9580 weight 0.10000E+01 volume 0.55100E+00 ppm1 3.072 ppm2 1.474
ASSI (
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1148 and name HG2 ))
)
2.700 2.700 0.000 peak 8130 weight 0.10000E+01 volume 0.31390E+01 ppm1 1.766 ppm2 1.495
ASSI (
(( segid " " and resid 1166 and name HB1 ))
)(
(( segid " " and resid 1166 and name HG1 ))
)
6.000 6.000 0.000 peak 9560 weight 0.10000E+01 volume 0.35000E+00 ppm1 2.221 ppm2 1.529
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1120 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 9121 weight 0.10000E+01 volume -0.15300E+00 ppm1 6.829 ppm2 1.545
ASSI (
(( segid " " and resid 1144 and name HG ))
)(
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB2 ))
)
5.000 5.000 0.000 peak 9238 weight 0.10000E+01 volume 0.58900E+00 ppm1 1.303 ppm2 1.551
ASSI (
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
OR
(( segid " " and resid 1186 and name HG1 ))
OR
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
2.700 2.700 0.000 peak 7972 weight 0.10000E+01 volume -0.31940E+01 ppm1 4.282 ppm2 1.583
ASSI (
(( segid " " and resid 1162 and name HE2 ))
OR
(( segid " " and resid 1162 and name HE1 ))
OR
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)(
(( segid " " and resid 1162 and name HD2 ))
OR
(( segid " " and resid 1162 and name HD1 ))
OR
(( segid " " and resid 1162 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
5.000 5.000 0.000 peak 9577 weight 0.10000E+01 volume 0.11840E+01 ppm1 3.010 ppm2 1.587
ASSI (
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)(
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
5.000 5.000 0.000 peak 9578 weight 0.10000E+01 volume 0.53100E+00 ppm1 3.072 ppm2 1.587
ASSI (
(( segid " " and resid 1205 and name HA ))
)(
(( segid " " and resid 1230 and name HB1 ))
OR
(( segid " " and resid 1206 and name HG2 ))
OR
(( segid " " and resid 1206 and name HG1 ))
)
6.000 6.000 0.000 peak 6539 weight 0.10000E+01 volume -0.39700E+00 ppm1 4.796 ppm2 1.595
ASSI (
(( segid " " and resid 1188 and name HA ))
)(
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
)
3.300 3.300 0.000 peak 8279 weight 0.10000E+01 volume -0.24860E+01 ppm1 4.393 ppm2 1.604
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
5.000 5.000 0.000 peak 6885 weight 0.10000E+01 volume -0.12130E+01 ppm1 3.971 ppm2 1.604
ASSI (
(( segid " " and resid 1203 and name HB2 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1203 and name HG2 ))
OR
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
2.700 2.700 0.000 peak 8131 weight 0.10000E+01 volume 0.71120E+01 ppm1 1.767 ppm2 1.605
ASSI (
(( segid " " and resid 1139 and name HB1 ))
)(
(( segid " " and resid 1139 and name HB2 ))
)
2.700 2.700 0.000 peak 9439 weight 0.10000E+01 volume 0.42190E+01 ppm1 1.923 ppm2 1.606
ASSI (
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1208 and name HB1 ))
OR
(( segid " " and resid 1130 and name HA ))
)(
(( segid " " and resid 1226 and name HB2 ))
OR
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
OR
(( segid " " and resid 1206 and name HG2 ))
OR
(( segid " " and resid 1206 and name HG1 ))
OR
(( segid " " and resid 1131 and name HB3 ))
OR
(( segid " " and resid 1131 and name HB2 ))
OR
(( segid " " and resid 1131 and name HB1 ))
)
6.000 6.000 0.000 peak 7959 weight 0.10000E+01 volume -0.33900E+00 ppm1 3.943 ppm2 1.615
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
5.000 5.000 0.000 peak 9326 weight 0.10000E+01 volume 0.12410E+01 ppm1 1.137 ppm2 1.664
ASSI (
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1162 and name HB1 ))
)
2.700 2.700 0.000 peak 9551 weight 0.10000E+01 volume 0.44450E+01 ppm1 0.659 ppm2 1.664
ASSI (
(( segid " " and resid 1226 and name HD1 ))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1226 and name HB2 ))
)
5.000 5.000 0.000 peak 7282 weight 0.10000E+01 volume -0.60700E+00 ppm1 3.462 ppm2 1.668
ASSI (
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1210 and name HB2 ))
OR
(( segid " " and resid 1186 and name HB2 ))
OR
(( segid " " and resid 1108 and name HB2 ))
)
2.700 2.700 0.000 peak 7971 weight 0.10000E+01 volume -0.36170E+01 ppm1 4.272 ppm2 1.699
ASSI (
(( segid " " and resid 1114 and name HD2 ))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1113 and name HB2 ))
)
5.000 5.000 0.000 peak 9693 weight 0.10000E+01 volume -0.49300E+00 ppm1 3.629 ppm2 1.743
ASSI (
(( segid " " and resid 1114 and name HD1 ))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1113 and name HB2 ))
)
6.000 6.000 0.000 peak 9694 weight 0.10000E+01 volume -0.27300E+00 ppm1 3.805 ppm2 1.747
ASSI (
(( segid " " and resid 1188 and name HA ))
)(
(( segid " " and resid 1188 and name HB1 ))
)
3.300 3.300 0.000 peak 8278 weight 0.10000E+01 volume -0.24460E+01 ppm1 4.395 ppm2 1.757
ASSI (
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1220 and name HB2 ))
OR
(( segid " " and resid 1166 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
5.000 5.000 0.000 peak 7587 weight 0.10000E+01 volume 0.10270E+01 ppm1 0.658 ppm2 1.777
ASSI (
(( segid " " and resid 1222 and name HE2 ))
OR
(( segid " " and resid 1222 and name HE1 ))
OR
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)(
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)
3.300 3.300 0.000 peak 9576 weight 0.10000E+01 volume 0.24140E+01 ppm1 3.006 ppm2 1.785
ASSI (
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1108 and name HB1 ))
)
2.700 2.700 0.000 peak 7970 weight 0.10000E+01 volume -0.43550E+01 ppm1 4.273 ppm2 1.806
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1148 and name HB2 ))
)
3.300 3.300 0.000 peak 6886 weight 0.10000E+01 volume -0.17000E+01 ppm1 3.966 ppm2 1.818
ASSI (
(( segid " " and resid 1143 and name HA ))
)(
(( segid " " and resid 1143 and name HB1 ))
)
5.000 5.000 0.000 peak 7050 weight 0.10000E+01 volume -0.93000E+00 ppm1 4.679 ppm2 1.829
ASSI (
(( segid " " and resid 1130 and name HD1 ))
OR
(( segid " " and resid 1114 and name HD2 ))
)(
(( segid " " and resid 1130 and name HB2 ))
OR
(( segid " " and resid 1114 and name HB2 ))
OR
(( segid " " and resid 1113 and name HG2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
OR
(( segid " " and resid 1108 and name HB1 ))
)
5.000 5.000 0.000 peak 9692 weight 0.10000E+01 volume -0.11220E+01 ppm1 3.632 ppm2 1.844
ASSI (
(( segid " " and resid 1114 and name HD1 ))
)(
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1114 and name HB2 ))
OR
(( segid " " and resid 1113 and name HG2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 9691 weight 0.10000E+01 volume -0.48000E+00 ppm1 3.805 ppm2 1.850
ASSI (
(( segid " " and resid 1134 and name HA ))
OR
(( segid " " and resid 1126 and name HA ))
)(
(( segid " " and resid 1135 and name HB1 ))
OR
(( segid " " and resid 1127 and name HB ))
OR
(( segid " " and resid 1124 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
6.000 6.000 0.000 peak 3350 weight 0.10000E+01 volume -0.28400E+00 ppm1 4.390 ppm2 1.864
ASSI (
(( segid " " and resid 1170 and name HA ))
OR
(( segid " " and resid 1123 and name HA ))
)(
(( segid " " and resid 1172 and name HB1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
OR
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
OR
(( segid " " and resid 1124 and name HB2 ))
)
5.000 5.000 0.000 peak 7092 weight 0.10000E+01 volume -0.11040E+01 ppm1 4.685 ppm2 1.879
ASSI (
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)(
(( segid " " and resid 1168 and name HB ))
OR
(( segid " " and resid 1127 and name HB ))
)
2.700 2.700 0.000 peak 9129 weight 0.10000E+01 volume 0.34000E+01 ppm1 0.807 ppm2 1.888
ASSI (
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
OR
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)(
(( segid " " and resid 1168 and name HB ))
OR
(( segid " " and resid 1127 and name HB ))
)
3.300 3.300 0.000 peak 9128 weight 0.10000E+01 volume 0.28320E+01 ppm1 0.847 ppm2 1.888
ASSI (
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
)(
(( segid " " and resid 1210 and name HB1 ))
)
2.700 2.700 0.000 peak 9391 weight 0.10000E+01 volume 0.35320E+01 ppm1 1.591 ppm2 1.930
ASSI (
(( segid " " and resid 1222 and name HG1 ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
)
3.300 3.300 0.000 peak 9315 weight 0.10000E+01 volume 0.24690E+01 ppm1 1.428 ppm2 1.945
ASSI (
(( segid " " and resid 1222 and name HG2 ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
)
2.700 2.700 0.000 peak 9314 weight 0.10000E+01 volume 0.31700E+01 ppm1 1.357 ppm2 1.946
ASSI (
(( segid " " and resid 1145 and name HB2 ))
)(
(( segid " " and resid 1145 and name HB1 ))
)
3.300 3.300 0.000 peak 8211 weight 0.10000E+01 volume 0.29040E+01 ppm1 1.789 ppm2 1.956
ASSI (
(( segid " " and resid 1138 and name HB2 ))
OR
(( segid " " and resid 1128 and name HB2 ))
)(
(( segid " " and resid 1141 and name HB1 ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 3002 weight 0.10000E+01 volume 0.20900E+00 ppm1 2.512 ppm2 2.061
ASSI (
(( segid " " and resid 1226 and name HD1 ))
)(
(( segid " " and resid 1226 and name HG1 ))
)
5.000 5.000 0.000 peak 7299 weight 0.10000E+01 volume -0.84400E+00 ppm1 3.467 ppm2 2.079
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
)
5.000 5.000 0.000 peak 6639 weight 0.10000E+01 volume -0.91200E+00 ppm1 4.164 ppm2 2.081
ASSI (
(( segid " " and resid 1226 and name HG2 ))
)(
(( segid " " and resid 1226 and name HG1 ))
)
5.000 5.000 0.000 peak 9285 weight 0.10000E+01 volume 0.10750E+01 ppm1 1.686 ppm2 2.084
ASSI (
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)(
(( segid " " and resid 1148 and name HB1 ))
OR
(( segid " " and resid 1135 and name HG2 ))
)
5.000 5.000 0.000 peak 9579 weight 0.10000E+01 volume 0.43700E+00 ppm1 3.008 ppm2 2.101
ASSI (
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1148 and name HB1 ))
)
3.300 3.300 0.000 peak 8129 weight 0.10000E+01 volume 0.25420E+01 ppm1 1.766 ppm2 2.114
ASSI (
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)(
(( segid " " and resid 1186 and name HD1 ))
OR
(( segid " " and resid 1148 and name HB1 ))
)
2.700 2.700 0.000 peak 8305 weight 0.10000E+01 volume 0.46720E+01 ppm1 1.825 ppm2 2.117
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1114 and name HB1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
OR
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
6.000 6.000 0.000 peak 7302 weight 0.10000E+01 volume -0.31800E+00 ppm1 3.540 ppm2 2.213
ASSI (
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1113 and name HG2 ))
)(
(( segid " " and resid 1114 and name HB1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
)
5.000 5.000 0.000 peak 9228 weight 0.10000E+01 volume 0.10100E+01 ppm1 1.863 ppm2 2.236
ASSI (
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
5.000 5.000 0.000 peak 7298 weight 0.10000E+01 volume -0.42000E+00 ppm1 3.470 ppm2 2.246
ASSI (
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)(
(( segid " " and resid 1224 and name HG1 ))
OR
(( segid " " and resid 1187 and name HG2 ))
OR
(( segid " " and resid 1175 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)
6.000 6.000 0.000 peak 9316 weight 0.10000E+01 volume 0.36800E+00 ppm1 1.359 ppm2 2.250
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1224 and name HG1 ))
OR
(( segid " " and resid 1214 and name HB1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
5.000 5.000 0.000 peak 6638 weight 0.10000E+01 volume -0.10220E+01 ppm1 4.164 ppm2 2.250
ASSI (
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1214 and name HG ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1214 and name HB1 ))
)
5.000 5.000 0.000 peak 9416 weight 0.10000E+01 volume 0.40100E+00 ppm1 1.665 ppm2 2.257
ASSI (
(( segid " " and resid 1226 and name HB2 ))
)(
(( segid " " and resid 1226 and name HB1 ))
)
5.000 5.000 0.000 peak 7413 weight 0.10000E+01 volume 0.98000E+00 ppm1 1.626 ppm2 2.262
ASSI (
(( segid " " and resid 1130 and name HD1 ))
OR
(( segid " " and resid 1114 and name HD2 ))
)(
(( segid " " and resid 1130 and name HB1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
)
5.000 5.000 0.000 peak 9651 weight 0.10000E+01 volume -0.66300E+00 ppm1 3.649 ppm2 2.274
ASSI (
(( segid " " and resid 1139 and name HB2 ))
)(
(( segid " " and resid 1139 and name HG1 ))
)
5.000 5.000 0.000 peak 9438 weight 0.10000E+01 volume 0.69400E+00 ppm1 1.611 ppm2 2.288
ASSI (
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1154 and name HB2 ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1175 and name HG2 ))
OR
(( segid " " and resid 1175 and name HG1 ))
OR
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
OR
(( segid " " and resid 1152 and name HB1 ))
OR
(( segid " " and resid 1130 and name HB1 ))
)
6.000 6.000 0.000 peak 8818 weight 0.10000E+01 volume 0.23000E+00 ppm1 2.698 ppm2 2.308
ASSI (
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1187 and name HG1 ))
OR
(( segid " " and resid 1175 and name HG2 ))
OR
(( segid " " and resid 1175 and name HG1 ))
)
2.700 2.700 0.000 peak 375 weight 0.10000E+01 volume 0.37930E+01 ppm1 2.017 ppm2 2.326
ASSI (
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
OR
(( segid " " and resid 1128 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB1 ))
)
5.000 5.000 0.000 peak 7278 weight 0.10000E+01 volume -0.86800E+00 ppm1 3.467 ppm2 2.519
ASSI (
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1176 and name HB1 ))
)
2.700 2.700 0.000 peak 8497 weight 0.10000E+01 volume 0.10522E+02 ppm1 2.581 ppm2 2.643
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
OR
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1167 and name HB2 ))
)
6.000 6.000 0.000 peak 8112 weight 0.10000E+01 volume -0.25400E+00 ppm1 6.690 ppm2 2.675
ASSI (
(( segid " " and resid 1201 and name HB1 ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
3.300 3.300 0.000 peak 8149 weight 0.10000E+01 volume 0.23620E+01 ppm1 3.020 ppm2 2.679
ASSI (
(( segid " " and resid 1205 and name HA ))
OR
(( segid " " and resid 1167 and name HA ))
)(
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1167 and name HB2 ))
)
3.300 3.300 0.000 peak 6485 weight 0.10000E+01 volume -0.18780E+01 ppm1 4.793 ppm2 2.686
ASSI (
(( segid " " and resid 1140 and name HB2 ))
)(
(( segid " " and resid 1140 and name HB1 ))
)
2.700 2.700 0.000 peak 9023 weight 0.10000E+01 volume 0.98790E+01 ppm1 2.674 ppm2 2.816
ASSI (
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)(
(( segid " " and resid 1174 and name HG1 ))
)
6.000 6.000 0.000 peak 8640 weight 0.10000E+01 volume 0.39200E+00 ppm1 2.232 ppm2 2.862
ASSI (
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
)(
(( segid " " and resid 1188 and name HE2 ))
OR
(( segid " " and resid 1188 and name HE1 ))
)
3.300 3.300 0.000 peak 9629 weight 0.10000E+01 volume 0.21760E+01 ppm1 1.587 ppm2 2.902
ASSI (
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1186 and name HE2 ))
OR
(( segid " " and resid 1186 and name HE1 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1109 and name HB1 ))
OR
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
6.000 6.000 0.000 peak 7976 weight 0.10000E+01 volume -0.38200E+00 ppm1 4.277 ppm2 2.908
ASSI (
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1108 and name HB1 ))
)(
(( segid " " and resid 1186 and name HE2 ))
OR
(( segid " " and resid 1186 and name HE1 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1109 and name HB1 ))
OR
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
6.000 6.000 0.000 peak 8298 weight 0.10000E+01 volume 0.29600E+00 ppm1 1.801 ppm2 2.922
ASSI (
(( segid " " and resid 1188 and name HG2 ))
)(
(( segid " " and resid 1188 and name HE2 ))
OR
(( segid " " and resid 1188 and name HE1 ))
)
6.000 6.000 0.000 peak 9321 weight 0.10000E+01 volume 0.34500E+00 ppm1 1.294 ppm2 2.942
ASSI (
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)(
(( segid " " and resid 1188 and name HE2 ))
OR
(( segid " " and resid 1188 and name HE1 ))
OR
(( segid " " and resid 1162 and name HE2 ))
OR
(( segid " " and resid 1162 and name HE1 ))
)
3.300 3.300 0.000 peak 9320 weight 0.10000E+01 volume 0.18230E+01 ppm1 1.364 ppm2 2.950
ASSI (
(( segid " " and resid 1138 and name HB2 ))
OR
(( segid " " and resid 1128 and name HB2 ))
)(
(( segid " " and resid 1138 and name HB1 ))
OR
(( segid " " and resid 1128 and name HB1 ))
)
3.300 3.300 0.000 peak 8986 weight 0.10000E+01 volume 0.16500E+01 ppm1 2.539 ppm2 2.971
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1124 and name HD2 ))
OR
(( segid " " and resid 1113 and name HD2 ))
OR
(( segid " " and resid 1113 and name HD1 ))
)
5.000 5.000 0.000 peak 7077 weight 0.10000E+01 volume 0.42200E+00 ppm1 0.500 ppm2 2.975
ASSI (
(( segid " " and resid 1124 and name HB1 ))
)(
(( segid " " and resid 1124 and name HD2 ))
)
6.000 6.000 0.000 peak 9151 weight 0.10000E+01 volume 0.30100E+00 ppm1 2.125 ppm2 2.978
ASSI (
(( segid " " and resid 1124 and name HB2 ))
)(
(( segid " " and resid 1124 and name HD2 ))
)
6.000 6.000 0.000 peak 9150 weight 0.10000E+01 volume 0.37800E+00 ppm1 1.900 ppm2 2.979
ASSI (
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)
5.000 5.000 0.000 peak 8128 weight 0.10000E+01 volume 0.14330E+01 ppm1 1.766 ppm2 3.036
ASSI (
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
OR
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
5.000 5.000 0.000 peak 9637 weight 0.10000E+01 volume 0.40800E+00 ppm1 0.659 ppm2 3.118
ASSI (
(( segid " " and resid 1149 and name HB2 ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
5.000 5.000 0.000 peak 8904 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.622 ppm2 3.137
ASSI (
(( segid " " and resid 1220 and name HA ))
)(
(( segid " " and resid 1220 and name HB1 ))
)
5.000 5.000 0.000 peak 7571 weight 0.10000E+01 volume -0.43700E+00 ppm1 4.483 ppm2 3.137
ASSI (
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
5.000 5.000 0.000 peak 8303 weight 0.10000E+01 volume 0.10910E+01 ppm1 1.714 ppm2 3.141
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1199 and name HB1 ))
)
5.000 5.000 0.000 peak 9638 weight 0.10000E+01 volume 0.40000E+00 ppm1 0.681 ppm2 3.146
ASSI (
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)(
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
OR
(( segid " " and resid 1153 and name HD2 ))
OR
(( segid " " and resid 1153 and name HD1 ))
)
5.000 5.000 0.000 peak 8840 weight 0.10000E+01 volume 0.14400E+01 ppm1 1.716 ppm2 3.158
ASSI (
(( segid " " and resid 1181 and name HA ))
)(
(( segid " " and resid 1199 and name HB1 ))
)
6.000 6.000 0.000 peak 6962 weight 0.10000E+01 volume -0.39400E+00 ppm1 4.359 ppm2 3.160
ASSI (
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
OR
(( segid " " and resid 1153 and name HG1 ))
)(
(( segid " " and resid 1210 and name HD2 ))
OR
(( segid " " and resid 1210 and name HD1 ))
OR
(( segid " " and resid 1153 and name HD2 ))
OR
(( segid " " and resid 1153 and name HD1 ))
)
2.700 2.700 0.000 peak 9386 weight 0.10000E+01 volume 0.32210E+01 ppm1 1.585 ppm2 3.162
ASSI (
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1209 and name HB1 ))
OR
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1210 and name HD2 ))
OR
(( segid " " and resid 1210 and name HD1 ))
OR
(( segid " " and resid 1206 and name HD1 ))
OR
(( segid " " and resid 1199 and name HB1 ))
)
6.000 6.000 0.000 peak 8004 weight 0.10000E+01 volume -0.31100E+00 ppm1 3.980 ppm2 3.164
ASSI (
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1210 and name HD2 ))
OR
(( segid " " and resid 1210 and name HD1 ))
OR
(( segid " " and resid 1106 and name HB1 ))
)
5.000 5.000 0.000 peak 7975 weight 0.10000E+01 volume -0.68400E+00 ppm1 4.284 ppm2 3.165
ASSI (
(( segid " " and resid 1203 and name HB1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)(
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
OR
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
)
3.300 3.300 0.000 peak 8125 weight 0.10000E+01 volume 0.22440E+01 ppm1 1.861 ppm2 3.231
ASSI (
(( segid " " and resid 1203 and name HB2 ))
)(
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
)
5.000 5.000 0.000 peak 8124 weight 0.10000E+01 volume 0.10490E+01 ppm1 1.766 ppm2 3.234
ASSI (
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)
6.000 6.000 0.000 peak 8005 weight 0.10000E+01 volume -0.28100E+00 ppm1 3.981 ppm2 3.260
ASSI (
(( segid " " and resid 1113 and name HG1 ))
)(
(( segid " " and resid 1112 and name HA ))
)
6.000 6.000 0.000 peak 9488 weight 0.10000E+01 volume 0.25000E+00 ppm1 1.977 ppm2 3.288
ASSI (
(( segid " " and resid 1113 and name HG2 ))
)(
(( segid " " and resid 1112 and name HA ))
)
6.000 6.000 0.000 peak 9487 weight 0.10000E+01 volume 0.19200E+00 ppm1 1.869 ppm2 3.288
ASSI (
(( segid " " and resid 1109 and name HA ))
)(
(( segid " " and resid 1155 and name HA2 ))
)
6.000 6.000 0.000 peak 7161 weight 0.10000E+01 volume -0.32200E+00 ppm1 4.537 ppm2 3.306
ASSI (
(( segid " " and resid 1130 and name HD1 ))
)(
(( segid " " and resid 1130 and name HD2 ))
)
2.700 2.700 0.000 peak 9649 weight 0.10000E+01 volume -0.39120E+01 ppm1 3.659 ppm2 3.405
ASSI (
(( segid " " and resid 1130 and name HB2 ))
)(
(( segid " " and resid 1130 and name HD2 ))
)
6.000 6.000 0.000 peak 9093 weight 0.10000E+01 volume 0.22800E+00 ppm1 1.889 ppm2 3.419
ASSI (
(( segid " " and resid 1108 and name HA ))
)(
(( segid " " and resid 1130 and name HD2 ))
)
5.000 5.000 0.000 peak 6716 weight 0.10000E+01 volume -0.88500E+00 ppm1 4.280 ppm2 3.422
ASSI (
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)(
(( segid " " and resid 1142 and name HB1 ))
)
6.000 6.000 0.000 peak 9635 weight 0.10000E+01 volume -0.14500E+00 ppm1 6.675 ppm2 3.449
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1112 and name HD2 ))
)
2.700 2.700 0.000 peak 9696 weight 0.10000E+01 volume -0.36150E+01 ppm1 3.538 ppm2 3.449
ASSI (
(( segid " " and resid 1109 and name HA ))
OR
(( segid " " and resid 1106 and name HA ))
)(
(( segid " " and resid 1157 and name HB1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
OR
(( segid " " and resid 1107 and name HA2 ))
)
6.000 6.000 0.000 peak 7162 weight 0.10000E+01 volume -0.34200E+00 ppm1 4.537 ppm2 3.492
ASSI (
(( segid " " and resid 1219 and name HZ3 ))
)(
(( segid " " and resid 1194 and name HA2 ))
)
6.000 6.000 0.000 peak 6821 weight 0.10000E+01 volume -0.15000E+00 ppm1 7.061 ppm2 3.588
ASSI (
(( segid " " and resid 1114 and name HD1 ))
)(
(( segid " " and resid 1114 and name HD2 ))
)
2.700 2.700 0.000 peak 9689 weight 0.10000E+01 volume -0.32130E+01 ppm1 3.805 ppm2 3.633
ASSI (
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1209 and name HB1 ))
)(
(( segid " " and resid 1208 and name HB2 ))
)
5.000 5.000 0.000 peak 8003 weight 0.10000E+01 volume -0.52300E+00 ppm1 3.981 ppm2 3.636
ASSI (
(( segid " " and resid 1130 and name HB1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
)(
(( segid " " and resid 1160 and name HD2 ))
OR
(( segid " " and resid 1130 and name HD1 ))
OR
(( segid " " and resid 1114 and name HD2 ))
)
6.000 6.000 0.000 peak 9092 weight 0.10000E+01 volume 0.37900E+00 ppm1 2.283 ppm2 3.656
ASSI (
(( segid " " and resid 1130 and name HB2 ))
)(
(( segid " " and resid 1130 and name HD1 ))
)
6.000 6.000 0.000 peak 9089 weight 0.10000E+01 volume 0.32400E+00 ppm1 1.889 ppm2 3.658
ASSI (
(( segid " " and resid 1205 and name HA ))
OR
(( segid " " and resid 1167 and name HA ))
)(
(( segid " " and resid 1230 and name HA ))
OR
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1221 and name HA2 ))
)
3.300 3.300 0.000 peak 6483 weight 0.10000E+01 volume -0.18260E+01 ppm1 4.794 ppm2 3.728
ASSI (
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1209 and name HB1 ))
OR
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1211 and name HB2 ))
OR
(( segid " " and resid 1182 and name HA ))
)
5.000 5.000 0.000 peak 8002 weight 0.10000E+01 volume -0.59400E+00 ppm1 3.980 ppm2 3.755
ASSI (
(( segid " " and resid 1198 and name HB1 ))
OR
(( segid " " and resid 1130 and name HB2 ))
)(
(( segid " " and resid 1182 and name HA ))
OR
(( segid " " and resid 1131 and name HA ))
OR
(( segid " " and resid 1107 and name HA1 ))
)
6.000 6.000 0.000 peak 9090 weight 0.10000E+01 volume 0.26400E+00 ppm1 1.892 ppm2 3.784
ASSI (
(( segid " " and resid 1181 and name HA ))
OR
(( segid " " and resid 1159 and name HA ))
OR
(( segid " " and resid 1116 and name HA ))
)(
(( segid " " and resid 1182 and name HA ))
OR
(( segid " " and resid 1118 and name HA2 ))
OR
(( segid " " and resid 1117 and name HA ))
OR
(( segid " " and resid 1114 and name HD1 ))
)
5.000 5.000 0.000 peak 6956 weight 0.10000E+01 volume -0.99600E+00 ppm1 4.358 ppm2 3.791
ASSI (
(( segid " " and resid 1113 and name HB1 ))
)(
(( segid " " and resid 1114 and name HD1 ))
)
6.000 6.000 0.000 peak 9229 weight 0.10000E+01 volume 0.35100E+00 ppm1 2.234 ppm2 3.805
ASSI (
(( segid " " and resid 1130 and name HB1 ))
)(
(( segid " " and resid 1131 and name HA ))
OR
(( segid " " and resid 1107 and name HA1 ))
)
6.000 6.000 0.000 peak 9091 weight 0.10000E+01 volume 0.36300E+00 ppm1 2.290 ppm2 3.806
ASSI (
(( segid " " and resid 1109 and name HA ))
OR
(( segid " " and resid 1106 and name HA ))
)(
(( segid " " and resid 1155 and name HA1 ))
OR
(( segid " " and resid 1107 and name HA1 ))
)
5.000 5.000 0.000 peak 7164 weight 0.10000E+01 volume -0.59400E+00 ppm1 4.534 ppm2 3.835
ASSI (
(( segid " " and resid 1109 and name HA ))
)(
(( segid " " and resid 1155 and name HA1 ))
OR
(( segid " " and resid 1110 and name HA2 ))
)
5.000 5.000 0.000 peak 7163 weight 0.10000E+01 volume -0.60100E+00 ppm1 4.540 ppm2 3.934
ASSI (
(( segid " " and resid 1203 and name HB1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
OR
(( segid " " and resid 1175 and name HA ))
OR
(( segid " " and resid 1170 and name HB1 ))
)
5.000 5.000 0.000 peak 8117 weight 0.10000E+01 volume 0.46300E+00 ppm1 1.856 ppm2 3.953
ASSI (
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
OR
(( segid " " and resid 1175 and name HA ))
)
6.000 6.000 0.000 peak 2907 weight 0.10000E+01 volume 0.28700E+00 ppm1 2.836 ppm2 3.958
ASSI (
(( segid " " and resid 1203 and name HB2 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1148 and name HA ))
)
5.000 5.000 0.000 peak 8123 weight 0.10000E+01 volume 0.42900E+00 ppm1 1.766 ppm2 3.960
ASSI (
(( segid " " and resid 1130 and name HD1 ))
OR
(( segid " " and resid 1114 and name HD2 ))
)(
(( segid " " and resid 1160 and name HD1 ))
OR
(( segid " " and resid 1132 and name HB2 ))
OR
(( segid " " and resid 1130 and name HA ))
)
5.000 5.000 0.000 peak 9695 weight 0.10000E+01 volume -0.51400E+00 ppm1 3.633 ppm2 3.998
ASSI (
(( segid " " and resid 1215 and name HB1 ))
OR
(( segid " " and resid 1198 and name HB2 ))
)(
(( segid " " and resid 1216 and name HB ))
OR
(( segid " " and resid 1197 and name HA ))
)
6.000 6.000 0.000 peak 8210 weight 0.10000E+01 volume 0.16500E+00 ppm1 1.788 ppm2 4.037
ASSI (
(( segid " " and resid 1205 and name HA ))
OR
(( segid " " and resid 1167 and name HA ))
)(
(( segid " " and resid 1231 and name HA ))
OR
(( segid " " and resid 1221 and name HA1 ))
)
5.000 5.000 0.000 peak 6482 weight 0.10000E+01 volume -0.55400E+00 ppm1 4.792 ppm2 4.059
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
OR
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)(
(( segid " " and resid 1231 and name HA ))
OR
(( segid " " and resid 1165 and name HA ))
OR
(( segid " " and resid 1139 and name HA ))
)
6.000 6.000 0.000 peak 8089 weight 0.10000E+01 volume -0.34700E+00 ppm1 6.670 ppm2 4.063
ASSI (
(( segid " " and resid 1204 and name HA2 ))
)(
(( segid " " and resid 1203 and name HA ))
)
5.000 5.000 0.000 peak 8115 weight 0.10000E+01 volume -0.11000E+01 ppm1 3.592 ppm2 4.099
ASSI (
(( segid " " and resid 1203 and name HB1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)(
(( segid " " and resid 1203 and name HA ))
OR
(( segid " " and resid 1171 and name HA ))
)
3.300 3.300 0.000 peak 8116 weight 0.10000E+01 volume 0.21860E+01 ppm1 1.860 ppm2 4.101
ASSI (
(( segid " " and resid 1187 and name HG2 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)(
(( segid " " and resid 1187 and name HA ))
OR
(( segid " " and resid 1171 and name HA ))
)
5.000 5.000 0.000 peak 8577 weight 0.10000E+01 volume 0.69400E+00 ppm1 2.228 ppm2 4.105
ASSI (
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1214 and name HG ))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)
5.000 5.000 0.000 peak 6936 weight 0.10000E+01 volume 0.56900E+00 ppm1 1.696 ppm2 4.159
ASSI (
(( segid " " and resid 1226 and name HG1 ))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)
5.000 5.000 0.000 peak 7923 weight 0.10000E+01 volume 0.52800E+00 ppm1 2.080 ppm2 4.165
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1169 and name HA ))
OR
(( segid " " and resid 1168 and name HA ))
)
6.000 6.000 0.000 peak 3242 weight 0.10000E+01 volume -0.14400E+00 ppm1 6.841 ppm2 4.204
ASSI (
(( segid " " and resid 1188 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB2 ))
)(
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1185 and name HA ))
)
5.000 5.000 0.000 peak 8308 weight 0.10000E+01 volume 0.11150E+01 ppm1 1.729 ppm2 4.266
ASSI (
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1108 and name HB1 ))
)(
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)
3.300 3.300 0.000 peak 8307 weight 0.10000E+01 volume 0.16130E+01 ppm1 1.816 ppm2 4.266
ASSI (
(( segid " " and resid 1130 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1124 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)
5.000 5.000 0.000 peak 9490 weight 0.10000E+01 volume 0.67500E+00 ppm1 1.892 ppm2 4.268
ASSI (
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1209 and name HB1 ))
OR
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1209 and name HA ))
OR
(( segid " " and resid 1185 and name HA ))
)
2.700 2.700 0.000 peak 6849 weight 0.10000E+01 volume -0.40540E+01 ppm1 3.985 ppm2 4.275
ASSI (
(( segid " " and resid 1108 and name HB2 ))
)(
(( segid " " and resid 1108 and name HA ))
)
5.000 5.000 0.000 peak 8309 weight 0.10000E+01 volume 0.68800E+00 ppm1 1.674 ppm2 4.276
ASSI (
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
OR
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
)(
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1209 and name HA ))
OR
(( segid " " and resid 1124 and name HA ))
)
5.000 5.000 0.000 peak 9335 weight 0.10000E+01 volume 0.15060E+01 ppm1 1.592 ppm2 4.290
ASSI (
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1116 and name HA ))
)
3.300 3.300 0.000 peak 9208 weight 0.10000E+01 volume 0.21300E+01 ppm1 2.504 ppm2 4.358
ASSI (
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
OR
(( segid " " and resid 1140 and name HA ))
)
6.000 6.000 0.000 peak 9634 weight 0.10000E+01 volume -0.10200E+00 ppm1 6.668 ppm2 4.380
ASSI (
(( segid " " and resid 1220 and name HB2 ))
)(
(( segid " " and resid 1220 and name HA ))
)
6.000 6.000 0.000 peak 7586 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.775 ppm2 4.487
ASSI (
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)(
(( segid " " and resid 1153 and name HA ))
)
3.300 3.300 0.000 peak 8841 weight 0.10000E+01 volume 0.18560E+01 ppm1 1.717 ppm2 4.511
ASSI (
(( segid " " and resid 1201 and name HB2 ))
)(
(( segid " " and resid 1227 and name HA ))
OR
(( segid " " and resid 1200 and name HA ))
)
6.000 6.000 0.000 peak 8152 weight 0.10000E+01 volume 0.28700E+00 ppm1 2.670 ppm2 4.566
ASSI (
(( segid " " and resid 1114 and name HD2 ))
)(
(( segid " " and resid 1113 and name HA ))
)
2.700 2.700 0.000 peak 9657 weight 0.10000E+01 volume -0.31240E+01 ppm1 3.631 ppm2 4.595
ASSI (
(( segid " " and resid 1114 and name HD1 ))
)(
(( segid " " and resid 1113 and name HA ))
)
3.300 3.300 0.000 peak 7215 weight 0.10000E+01 volume -0.19670E+01 ppm1 3.805 ppm2 4.595
ASSI (
(( segid " " and resid 1156 and name HB1 ))
)(
(( segid " " and resid 1156 and name HA ))
)
5.000 5.000 0.000 peak 8910 weight 0.10000E+01 volume 0.89800E+00 ppm1 2.104 ppm2 4.606
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
OR
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
OR
(( segid " " and resid 1150 and name HA ))
)
3.300 3.300 0.000 peak 9313 weight 0.10000E+01 volume 0.18130E+01 ppm1 1.045 ppm2 4.641
ASSI (
(( segid " " and resid 1166 and name HD2 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
OR
(( segid " " and resid 1191 and name HA ))
OR
(( segid " " and resid 1144 and name HA ))
OR
(( segid " " and resid 1143 and name HA ))
)
6.000 6.000 0.000 peak 9570 weight 0.10000E+01 volume -0.13900E+00 ppm1 1.990 ppm2 4.644
ASSI (
(( segid " " and resid 1145 and name HB2 ))
)(
(( segid " " and resid 1145 and name HA ))
OR
(( segid " " and resid 1144 and name HA ))
)
5.000 5.000 0.000 peak 8667 weight 0.10000E+01 volume 0.76300E+00 ppm1 1.787 ppm2 4.678
ASSI (
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)(
(( segid " " and resid 1127 and name HA ))
OR
(( segid " " and resid 1111 and name HA ))
OR
(( segid " " and resid 1110 and name HA1 ))
)
6.000 6.000 0.000 peak 9660 weight 0.10000E+01 volume -0.19000E+00 ppm1 7.120 ppm2 4.721
ASSI (
(( segid " " and resid 1231 and name HG2 ))
OR
(( segid " " and resid 1231 and name HG1 ))
OR
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)(
(( segid " " and resid 1217 and name HA ))
OR
(( segid " " and resid 1205 and name HA ))
OR
(( segid " " and resid 1198 and name HA ))
)
6.000 6.000 0.000 peak 8622 weight 0.10000E+01 volume 0.38600E+00 ppm1 1.456 ppm2 4.795
ASSI (
(( segid " " and resid 1205 and name HA ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
6.000 6.000 0.000 peak 7569 weight 0.10000E+01 volume -0.27800E+00 ppm1 4.791 ppm2 4.967
ASSI (
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
5.000 5.000 0.000 peak 6272 weight 0.10000E+01 volume 0.10070E+01 ppm1 1.719 ppm2 5.392
ASSI (
(( segid " " and resid 1149 and name HB2 ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
5.000 5.000 0.000 peak 8903 weight 0.10000E+01 volume 0.50600E+00 ppm1 1.622 ppm2 5.393
ASSI (
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)(
(( segid " " and resid 1157 and name HZ2 ))
)
6.000 6.000 0.000 peak 9659 weight 0.10000E+01 volume -0.16300E+00 ppm1 7.129 ppm2 6.531
ASSI (
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
OR
(( segid " " and resid 1202 and name HE2 ))
)(
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 9607 weight 0.10000E+01 volume 0.67700E+00 ppm1 2.802 ppm2 6.685
ASSI (
(( segid " " and resid 1225 and name HB1 ))
OR
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
OR
(( segid " " and resid 1177 and name HD1 ))
OR
(( segid " " and resid 1176 and name HD22))
)
5.000 5.000 0.000 peak 7492 weight 0.10000E+01 volume 0.12250E+01 ppm1 2.568 ppm2 6.773
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
6.000 6.000 0.000 peak 6645 weight 0.10000E+01 volume -0.37700E+00 ppm1 4.157 ppm2 6.782
ASSI (
(( segid " " and resid 1219 and name HE3 ))
)(
(( segid " " and resid 1219 and name HZ3 ))
)
5.000 5.000 0.000 peak 8203 weight 0.10000E+01 volume -0.59000E+00 ppm1 7.592 ppm2 7.076
ASSI (
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 9664 weight 0.10000E+01 volume 0.20900E+00 ppm1 0.688 ppm2 7.118
ASSI (
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 6636 weight 0.10000E+01 volume -0.54400E+00 ppm1 4.157 ppm2 7.161
ASSI (
(( segid " " and resid 1181 and name HA ))
OR
(( segid " " and resid 1164 and name HA ))
)(
(( segid " " and resid 1219 and name HD1 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 6955 weight 0.10000E+01 volume -0.43000E+00 ppm1 4.349 ppm2 7.165
ASSI (
(( segid " " and resid 1220 and name HB2 ))
)(
(( segid " " and resid 1219 and name HD1 ))
)
6.000 6.000 0.000 peak 7585 weight 0.10000E+01 volume 0.20900E+00 ppm1 1.780 ppm2 7.177
ASSI (
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
)(
(( segid " " and resid 1206 and name HE ))
)
6.000 6.000 0.000 peak 9587 weight 0.10000E+01 volume 0.29000E+00 ppm1 3.190 ppm2 7.205
ASSI (
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1199 and name HE1 ))
)
6.000 6.000 0.000 peak 9598 weight 0.10000E+01 volume -0.20100E+00 ppm1 6.844 ppm2 7.216
ASSI (
(( segid " " and resid 1170 and name HB1 ))
)(
(( segid " " and resid 1173 and name HN ))
)
6.000 6.000 0.000 peak 8580 weight 0.10000E+01 volume -0.17300E+00 ppm1 3.955 ppm2 7.366
ASSI (
(( segid " " and resid 1189 and name HA ))
OR
(( segid " " and resid 1188 and name HA ))
)(
(( segid " " and resid 1190 and name HN ))
)
5.000 5.000 0.000 peak 8276 weight 0.10000E+01 volume -0.53900E+00 ppm1 4.385 ppm2 7.385
ASSI (
(( segid " " and resid 1176 and name HA ))
)(
(( segid " " and resid 1178 and name HN ))
OR
(( segid " " and resid 1176 and name HN ))
)
3.300 3.300 0.000 peak 7649 weight 0.10000E+01 volume -0.17930E+01 ppm1 4.380 ppm2 7.542
ASSI (
(( segid " " and resid 1210 and name HA ))
)(
(( segid " " and resid 1211 and name HN ))
)
5.000 5.000 0.000 peak 8297 weight 0.10000E+01 volume -0.42200E+00 ppm1 4.288 ppm2 7.585
ASSI (
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)(
(( segid " " and resid 1186 and name HN ))
OR
(( segid " " and resid 1149 and name HN ))
)
5.000 5.000 0.000 peak 8314 weight 0.10000E+01 volume 0.95600E+00 ppm1 1.817 ppm2 7.739
ASSI (
(( segid " " and resid 1186 and name HA ))
)(
(( segid " " and resid 1186 and name HN ))
)
5.000 5.000 0.000 peak 6697 weight 0.10000E+01 volume -0.12880E+01 ppm1 4.278 ppm2 7.744
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1149 and name HN ))
)
6.000 6.000 0.000 peak 9631 weight 0.10000E+01 volume 0.19400E+00 ppm1 0.579 ppm2 7.751
ASSI (
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1186 and name HG2 ))
)(
(( segid " " and resid 1222 and name HN ))
OR
(( segid " " and resid 1186 and name HN ))
)
5.000 5.000 0.000 peak 9318 weight 0.10000E+01 volume 0.61400E+00 ppm1 1.356 ppm2 7.770
ASSI (
(( segid " " and resid 1222 and name HG1 ))
OR
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1148 and name HG2 ))
)(
(( segid " " and resid 1222 and name HN ))
OR
(( segid " " and resid 1175 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)
6.000 6.000 0.000 peak 9317 weight 0.10000E+01 volume 0.39700E+00 ppm1 1.428 ppm2 7.781
ASSI (
(( segid " " and resid 1132 and name HA ))
)(
(( segid " " and resid 1132 and name HN ))
)
5.000 5.000 0.000 peak 7399 weight 0.10000E+01 volume -0.62600E+00 ppm1 4.557 ppm2 7.860
ASSI (
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1188 and name HA ))
)(
(( segid " " and resid 1195 and name HN ))
OR
(( segid " " and resid 1188 and name HN ))
)
5.000 5.000 0.000 peak 8275 weight 0.10000E+01 volume -0.13490E+01 ppm1 4.402 ppm2 8.037
ASSI (
(( segid " " and resid 1195 and name HG1 ))
)(
(( segid " " and resid 1195 and name HN ))
)
5.000 5.000 0.000 peak 8230 weight 0.10000E+01 volume 0.63300E+00 ppm1 2.243 ppm2 8.040
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1195 and name HN ))
)
6.000 6.000 0.000 peak 7813 weight 0.10000E+01 volume -0.17100E+00 ppm1 3.442 ppm2 8.040
ASSI (
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1161 and name HB1 ))
)(
(( segid " " and resid 1187 and name HN ))
OR
(( segid " " and resid 1162 and name HN ))
)
6.000 6.000 0.000 peak 8302 weight 0.10000E+01 volume 0.39100E+00 ppm1 1.810 ppm2 8.045
ASSI (
(( segid " " and resid 1188 and name HG2 ))
)(
(( segid " " and resid 1188 and name HN ))
OR
(( segid " " and resid 1187 and name HN ))
OR
(( segid " " and resid 1182 and name HN ))
)
6.000 6.000 0.000 peak 7545 weight 0.10000E+01 volume 0.31800E+00 ppm1 1.296 ppm2 8.049
ASSI (
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)(
(( segid " " and resid 1188 and name HN ))
OR
(( segid " " and resid 1187 and name HN ))
OR
(( segid " " and resid 1162 and name HN ))
)
5.000 5.000 0.000 peak 7543 weight 0.10000E+01 volume 0.10690E+01 ppm1 1.364 ppm2 8.054
ASSI (
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1188 and name HN ))
OR
(( segid " " and resid 1187 and name HN ))
)
3.300 3.300 0.000 peak 8291 weight 0.10000E+01 volume 0.18100E+01 ppm1 2.011 ppm2 8.057
ASSI (
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1186 and name HA ))
)(
(( segid " " and resid 1210 and name HN ))
OR
(( segid " " and resid 1187 and name HN ))
)
2.700 2.700 0.000 peak 6695 weight 0.10000E+01 volume -0.31240E+01 ppm1 4.274 ppm2 8.065
ASSI (
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
OR
(( segid " " and resid 1181 and name HG ))
)(
(( segid " " and resid 1210 and name HN ))
OR
(( segid " " and resid 1182 and name HN ))
)
5.000 5.000 0.000 peak 9336 weight 0.10000E+01 volume 0.40800E+00 ppm1 1.588 ppm2 8.071
ASSI (
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1148 and name HN ))
)
6.000 6.000 0.000 peak 8132 weight 0.10000E+01 volume 0.32100E+00 ppm1 1.766 ppm2 8.137
ASSI (
(( segid " " and resid 1147 and name HB2 ))
)(
(( segid " " and resid 1148 and name HN ))
)
5.000 5.000 0.000 peak 8918 weight 0.10000E+01 volume 0.49100E+00 ppm1 2.754 ppm2 8.155
ASSI (
(( segid " " and resid 1147 and name HA ))
)(
(( segid " " and resid 1148 and name HN ))
)
2.700 2.700 0.000 peak 7054 weight 0.10000E+01 volume -0.36760E+01 ppm1 4.555 ppm2 8.155
ASSI (
(( segid " " and resid 1159 and name HA ))
OR
(( segid " " and resid 1116 and name HA ))
)(
(( segid " " and resid 1158 and name HN ))
OR
(( segid " " and resid 1116 and name HN ))
)
5.000 5.000 0.000 peak 6952 weight 0.10000E+01 volume -0.14520E+01 ppm1 4.355 ppm2 8.181
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1225 and name HN ))
)
3.300 3.300 0.000 peak 7505 weight 0.10000E+01 volume -0.25990E+01 ppm1 4.201 ppm2 8.183
ASSI (
(( segid " " and resid 1225 and name HB2 ))
)(
(( segid " " and resid 1225 and name HN ))
)
5.000 5.000 0.000 peak 7494 weight 0.10000E+01 volume 0.44000E+00 ppm1 2.474 ppm2 8.206
ASSI (
(( segid " " and resid 1225 and name HB1 ))
)(
(( segid " " and resid 1225 and name HN ))
)
6.000 6.000 0.000 peak 7496 weight 0.10000E+01 volume 0.32400E+00 ppm1 2.564 ppm2 8.210
ASSI (
(( segid " " and resid 1134 and name HA ))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
)
2.700 2.700 0.000 peak 6999 weight 0.10000E+01 volume -0.50320E+01 ppm1 4.387 ppm2 8.279
ASSI (
(( segid " " and resid 1188 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB2 ))
OR
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)(
(( segid " " and resid 1185 and name HN ))
OR
(( segid " " and resid 1181 and name HN ))
OR
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
OR
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 8299 weight 0.10000E+01 volume 0.12200E+01 ppm1 1.738 ppm2 8.293
ASSI (
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)(
(( segid " " and resid 1129 and name HN ))
OR
(( segid " " and resid 1126 and name HN ))
)
6.000 6.000 0.000 peak 9469 weight 0.10000E+01 volume 0.38400E+00 ppm1 0.855 ppm2 8.296
ASSI (
(( segid " " and resid 1203 and name HB2 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1203 and name HN ))
OR
(( segid " " and resid 1135 and name HN ))
)
3.300 3.300 0.000 peak 8121 weight 0.10000E+01 volume 0.19900E+01 ppm1 1.768 ppm2 8.298
ASSI (
(( segid " " and resid 1203 and name HB1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)(
(( segid " " and resid 1203 and name HN ))
OR
(( segid " " and resid 1172 and name HN ))
)
3.300 3.300 0.000 peak 8120 weight 0.10000E+01 volume 0.25460E+01 ppm1 1.861 ppm2 8.298
ASSI (
(( segid " " and resid 1135 and name HB1 ))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 8071 weight 0.10000E+01 volume 0.10340E+01 ppm1 1.847 ppm2 8.299
ASSI (
(( segid " " and resid 1202 and name HG1 ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1203 and name HN ))
)
6.000 6.000 0.000 peak 9356 weight 0.10000E+01 volume 0.24600E+00 ppm1 1.179 ppm2 8.300
ASSI (
(( segid " " and resid 1203 and name HG1 ))
)(
(( segid " " and resid 1203 and name HN ))
)
5.000 5.000 0.000 peak 9351 weight 0.10000E+01 volume 0.84500E+00 ppm1 1.754 ppm2 8.300
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
OR
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)(
(( segid " " and resid 1218 and name HN ))
OR
(( segid " " and resid 1152 and name HN ))
)
3.300 3.300 0.000 peak 9324 weight 0.10000E+01 volume 0.20570E+01 ppm1 1.049 ppm2 8.309
ASSI (
(( segid " " and resid 1205 and name HA ))
)(
(( segid " " and resid 1205 and name HN ))
)
5.000 5.000 0.000 peak 6479 weight 0.10000E+01 volume -0.41200E+00 ppm1 4.793 ppm2 8.310
ASSI (
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
OR
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
OR
(( segid " " and resid 1153 and name HD1 ))
)(
(( segid " " and resid 1203 and name HN ))
OR
(( segid " " and resid 1172 and name HN ))
OR
(( segid " " and resid 1152 and name HN ))
)
6.000 6.000 0.000 peak 9583 weight 0.10000E+01 volume 0.37300E+00 ppm1 3.236 ppm2 8.315
ASSI (
(( segid " " and resid 1134 and name HA ))
OR
(( segid " " and resid 1126 and name HA ))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1126 and name HN ))
)
2.700 2.700 0.000 peak 7000 weight 0.10000E+01 volume -0.51430E+01 ppm1 4.386 ppm2 8.319
ASSI (
(( segid " " and resid 1203 and name HG2 ))
OR
(( segid " " and resid 1181 and name HG ))
)(
(( segid " " and resid 1203 and name HN ))
OR
(( segid " " and resid 1181 and name HN ))
)
5.000 5.000 0.000 peak 9352 weight 0.10000E+01 volume 0.98200E+00 ppm1 1.617 ppm2 8.329
ASSI (
(( segid " " and resid 1203 and name HG2 ))
OR
(( segid " " and resid 1181 and name HG ))
OR
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1181 and name HN ))
OR
(( segid " " and resid 1129 and name HN ))
OR
(( segid " " and resid 1126 and name HN ))
OR
(( segid " " and resid 1123 and name HN ))
)
5.000 5.000 0.000 peak 9394 weight 0.10000E+01 volume 0.92100E+00 ppm1 1.591 ppm2 8.341
ASSI (
(( segid " " and resid 1147 and name HA ))
OR
(( segid " " and resid 1125 and name HA ))
)(
(( segid " " and resid 1147 and name HN ))
OR
(( segid " " and resid 1126 and name HN ))
)
3.300 3.300 0.000 peak 7053 weight 0.10000E+01 volume -0.26690E+01 ppm1 4.581 ppm2 8.341
ASSI (
(( segid " " and resid 1198 and name HG2 ))
OR
(( segid " " and resid 1135 and name HG2 ))
)(
(( segid " " and resid 1214 and name HN ))
OR
(( segid " " and resid 1181 and name HN ))
OR
(( segid " " and resid 1136 and name HN ))
)
6.000 6.000 0.000 peak 9366 weight 0.10000E+01 volume 0.36100E+00 ppm1 2.054 ppm2 8.348
ASSI (
(( segid " " and resid 1181 and name HA ))
)(
(( segid " " and resid 1181 and name HN ))
)
5.000 5.000 0.000 peak 8373 weight 0.10000E+01 volume -0.59100E+00 ppm1 4.353 ppm2 8.350
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1147 and name HN ))
OR
(( segid " " and resid 1139 and name HN ))
OR
(( segid " " and resid 1136 and name HN ))
)
6.000 6.000 0.000 peak 9630 weight 0.10000E+01 volume 0.20900E+00 ppm1 0.758 ppm2 8.382
ASSI (
(( segid " " and resid 1188 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB2 ))
OR
(( segid " " and resid 1149 and name HB1 ))
)(
(( segid " " and resid 1189 and name HN ))
OR
(( segid " " and resid 1183 and name HN ))
OR
(( segid " " and resid 1151 and name HN ))
)
5.000 5.000 0.000 peak 8317 weight 0.10000E+01 volume 0.50600E+00 ppm1 1.735 ppm2 8.422
ASSI (
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1188 and name HA ))
)(
(( segid " " and resid 1196 and name HN ))
OR
(( segid " " and resid 1189 and name HN ))
)
2.700 2.700 0.000 peak 7650 weight 0.10000E+01 volume -0.46400E+01 ppm1 4.399 ppm2 8.451
ASSI (
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1139 and name HB2 ))
)(
(( segid " " and resid 1189 and name HN ))
OR
(( segid " " and resid 1183 and name HN ))
OR
(( segid " " and resid 1142 and name HN ))
OR
(( segid " " and resid 1140 and name HN ))
)
5.000 5.000 0.000 peak 9614 weight 0.10000E+01 volume 0.56700E+00 ppm1 1.610 ppm2 8.462
ASSI (
(( segid " " and resid 1198 and name HB1 ))
OR
(( segid " " and resid 1124 and name HB2 ))
)(
(( segid " " and resid 1199 and name HN ))
OR
(( segid " " and resid 1120 and name HN ))
)
6.000 6.000 0.000 peak 8215 weight 0.10000E+01 volume 0.21500E+00 ppm1 1.888 ppm2 8.474
ASSI (
(( segid " " and resid 1139 and name HB1 ))
)(
(( segid " " and resid 1140 and name HN ))
)
5.000 5.000 0.000 peak 9036 weight 0.10000E+01 volume 0.68300E+00 ppm1 1.927 ppm2 8.479
ASSI (
(( segid " " and resid 1198 and name HG1 ))
OR
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HG1 ))
)(
(( segid " " and resid 1199 and name HN ))
OR
(( segid " " and resid 1196 and name HN ))
)
5.000 5.000 0.000 peak 8232 weight 0.10000E+01 volume 0.69900E+00 ppm1 2.200 ppm2 8.480
ASSI (
(( segid " " and resid 1195 and name HG1 ))
)(
(( segid " " and resid 1196 and name HN ))
)
5.000 5.000 0.000 peak 8231 weight 0.10000E+01 volume 0.55400E+00 ppm1 2.244 ppm2 8.481
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
OR
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)(
(( segid " " and resid 1196 and name HN ))
OR
(( segid " " and resid 1133 and name HN ))
)
5.000 5.000 0.000 peak 9327 weight 0.10000E+01 volume 0.40900E+00 ppm1 1.044 ppm2 8.482
ASSI (
(( segid " " and resid 1215 and name HB1 ))
OR
(( segid " " and resid 1198 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
)(
(( segid " " and resid 1199 and name HN ))
OR
(( segid " " and resid 1183 and name HN ))
OR
(( segid " " and resid 1146 and name HN ))
)
6.000 6.000 0.000 peak 8214 weight 0.10000E+01 volume 0.32300E+00 ppm1 1.794 ppm2 8.487
ASSI (
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)(
(( segid " " and resid 1216 and name HN ))
)
5.000 5.000 0.000 peak 9271 weight 0.10000E+01 volume 0.48900E+00 ppm1 1.462 ppm2 8.757
ASSI (
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)(
(( segid " " and resid 1150 and name HN ))
OR
(( segid " " and resid 1137 and name HN ))
)
6.000 6.000 0.000 peak 8319 weight 0.10000E+01 volume 0.35000E+00 ppm1 1.713 ppm2 8.758
ASSI (
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
OR
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
OR
(( segid " " and resid 1153 and name HD1 ))
OR
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)(
(( segid " " and resid 1216 and name HN ))
OR
(( segid " " and resid 1207 and name HN ))
OR
(( segid " " and resid 1153 and name HN ))
OR
(( segid " " and resid 1150 and name HN ))
)
6.000 6.000 0.000 peak 9585 weight 0.10000E+01 volume 0.30400E+00 ppm1 3.193 ppm2 8.761
ASSI (
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1116 and name HA ))
)(
(( segid " " and resid 1220 and name HN ))
OR
(( segid " " and resid 1117 and name HN ))
)
3.300 3.300 0.000 peak 6951 weight 0.10000E+01 volume -0.29600E+01 ppm1 4.359 ppm2 8.883
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1138 and name HN ))
)
6.000 6.000 0.000 peak 9633 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.580 ppm2 8.884
ASSI (
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
)(
(( segid " " and resid 1171 and name HN ))
)
6.000 6.000 0.000 peak 9584 weight 0.10000E+01 volume 0.38400E+00 ppm1 3.227 ppm2 8.997
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
OR
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)(
(( segid " " and resid 1197 and name HN ))
OR
(( segid " " and resid 1131 and name HN ))
)
5.000 5.000 0.000 peak 9329 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.045 ppm2 9.001
ASSI (
(( segid " " and resid 1130 and name HB2 ))
)(
(( segid " " and resid 1131 and name HN ))
)
6.000 6.000 0.000 peak 9095 weight 0.10000E+01 volume 0.18700E+00 ppm1 1.888 ppm2 9.003
ASSI (
(( segid " " and resid 1130 and name HB1 ))
)(
(( segid " " and resid 1131 and name HN ))
)
5.000 5.000 0.000 peak 9094 weight 0.10000E+01 volume 0.42700E+00 ppm1 2.291 ppm2 9.009
ASSI (
(( segid " " and resid 1181 and name HA ))
OR
(( segid " " and resid 1164 and name HA ))
)(
(( segid " " and resid 1200 and name HN ))
OR
(( segid " " and resid 1163 and name HN ))
)
6.000 6.000 0.000 peak 6950 weight 0.10000E+01 volume -0.35400E+00 ppm1 4.353 ppm2 9.042
ASSI (
(( segid " " and resid 1145 and name HB2 ))
)(
(( segid " " and resid 1145 and name HN ))
)
6.000 6.000 0.000 peak 8957 weight 0.10000E+01 volume 0.26400E+00 ppm1 1.795 ppm2 9.416
ASSI (
(( segid " " and resid 1111 and name HB2 ))
)(
(( segid " " and resid 1111 and name HB1 ))
)
2.700 2.700 0.000 peak 7148 weight 0.10000E+01 volume 0.39070E+01 ppm1 1.841 ppm2 2.516
ASSI (
(( segid " " and resid 1111 and name HB2 ))
)(
(( segid " " and resid 1112 and name HD1 ))
)
6.000 6.000 0.000 peak 7249 weight 0.10000E+01 volume 0.35900E+00 ppm1 1.838 ppm2 3.530
ASSI (
(( segid " " and resid 1111 and name HB2 ))
)(
(( segid " " and resid 1114 and name HD2 ))
OR
(( segid " " and resid 1111 and name HD2 ))
)
6.000 6.000 0.000 peak 7250 weight 0.10000E+01 volume 0.39100E+00 ppm1 1.839 ppm2 3.661
ASSI (
(( segid " " and resid 1111 and name HB2 ))
)(
(( segid " " and resid 1111 and name HD1 ))
)
6.000 6.000 0.000 peak 7251 weight 0.10000E+01 volume 0.25900E+00 ppm1 1.836 ppm2 3.869
ASSI (
(( segid " " and resid 1111 and name HB2 ))
)(
(( segid " " and resid 1111 and name HA ))
)
5.000 5.000 0.000 peak 7252 weight 0.10000E+01 volume 0.56400E+00 ppm1 1.841 ppm2 4.762
ASSI (
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)(
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 4371 weight 0.10000E+01 volume -0.17100E+00 ppm1 6.737 ppm2 0.659
ASSI (
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)(
(( segid " " and resid 1108 and name HG2 ))
)
2.700 2.700 0.000 peak 9701 weight 0.10000E+01 volume 0.32290E+01 ppm1 1.548 ppm2 1.301
ASSI (
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)(
(( segid " " and resid 1108 and name HG1 ))
)
2.700 2.700 0.000 peak 9702 weight 0.10000E+01 volume 0.54390E+01 ppm1 1.550 ppm2 1.406
ASSI (
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)(
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
3.300 3.300 0.000 peak 7031 weight 0.10000E+01 volume 0.23760E+01 ppm1 1.549 ppm2 2.914
ASSI (
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)(
(( segid " " and resid 1108 and name HA ))
)
6.000 6.000 0.000 peak 9146 weight 0.10000E+01 volume 0.32100E+00 ppm1 1.552 ppm2 4.281
ASSI (
(( segid " " and resid 1108 and name HG1 ))
)(
(( segid " " and resid 1108 and name HB1 ))
)
5.000 5.000 0.000 peak 9505 weight 0.10000E+01 volume 0.53200E+00 ppm1 1.408 ppm2 1.807
ASSI (
(( segid " " and resid 1108 and name HG2 ))
)(
(( segid " " and resid 1108 and name HB1 ))
)
5.000 5.000 0.000 peak 9504 weight 0.10000E+01 volume 0.48600E+00 ppm1 1.282 ppm2 1.807
ASSI (
(( segid " " and resid 1109 and name HB1 ))
)(
(( segid " " and resid 1157 and name HD1 ))
OR
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 8653 weight 0.10000E+01 volume -0.15100E+00 ppm1 2.864 ppm2 7.126
ASSI (
(( segid " " and resid 1109 and name HB2 ))
)(
(( segid " " and resid 1128 and name HB2 ))
)
6.000 6.000 0.000 peak 8654 weight 0.10000E+01 volume -0.32900E+00 ppm1 2.059 ppm2 2.507
ASSI (
(( segid " " and resid 1109 and name HB2 ))
)(
(( segid " " and resid 1157 and name HD1 ))
OR
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 8652 weight 0.10000E+01 volume -0.19300E+00 ppm1 2.060 ppm2 7.120
ASSI (
(( segid " " and resid 1111 and name HA ))
)(
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 7273 weight 0.10000E+01 volume -0.25100E+00 ppm1 4.765 ppm2 1.545
ASSI (
(( segid " " and resid 1111 and name HA ))
)(
(( segid " " and resid 1157 and name HD1 ))
OR
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 7275 weight 0.10000E+01 volume -0.20100E+00 ppm1 4.760 ppm2 7.140
ASSI (
(( segid " " and resid 1111 and name HB1 ))
)(
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 7254 weight 0.10000E+01 volume 0.28900E+00 ppm1 2.515 ppm2 1.554
ASSI (
(( segid " " and resid 1111 and name HB1 ))
)(
(( segid " " and resid 1126 and name HA ))
)
6.000 6.000 0.000 peak 7259 weight 0.10000E+01 volume 0.18900E+00 ppm1 2.515 ppm2 4.382
ASSI (
(( segid " " and resid 1111 and name HD1 ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
5.000 5.000 0.000 peak 7144 weight 0.10000E+01 volume -0.14170E+01 ppm1 3.872 ppm2 2.189
ASSI (
(( segid " " and resid 1111 and name HD1 ))
)(
(( segid " " and resid 1111 and name HB1 ))
)
6.000 6.000 0.000 peak 7143 weight 0.10000E+01 volume -0.21600E+00 ppm1 3.875 ppm2 2.511
ASSI (
(( segid " " and resid 1111 and name HD1 ))
)(
(( segid " " and resid 1126 and name HA ))
)
6.000 6.000 0.000 peak 7135 weight 0.10000E+01 volume -0.28000E+00 ppm1 3.866 ppm2 4.397
ASSI (
(( segid " " and resid 1111 and name HD2 ))
)(
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 7142 weight 0.10000E+01 volume -0.53900E+00 ppm1 3.650 ppm2 1.837
ASSI (
(( segid " " and resid 1111 and name HD2 ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
3.300 3.300 0.000 peak 7141 weight 0.10000E+01 volume -0.20460E+01 ppm1 3.650 ppm2 2.186
ASSI (
(( segid " " and resid 1111 and name HD2 ))
)(
(( segid " " and resid 1111 and name HB1 ))
)
5.000 5.000 0.000 peak 7140 weight 0.10000E+01 volume -0.40200E+00 ppm1 3.650 ppm2 2.511
ASSI (
(( segid " " and resid 1111 and name HD2 ))
)(
(( segid " " and resid 1111 and name HD1 ))
)
2.700 2.700 0.000 peak 7137 weight 0.10000E+01 volume -0.32670E+01 ppm1 3.650 ppm2 3.873
ASSI (
(( segid " " and resid 1111 and name HD2 ))
)(
(( segid " " and resid 1126 and name HA ))
)
6.000 6.000 0.000 peak 7134 weight 0.10000E+01 volume -0.28500E+00 ppm1 3.648 ppm2 4.397
ASSI (
(( segid " " and resid 1112 and name HA ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
6.000 6.000 0.000 peak 9232 weight 0.10000E+01 volume -0.15100E+00 ppm1 3.272 ppm2 0.098
ASSI (
(( segid " " and resid 1112 and name HA ))
)(
(( segid " " and resid 1114 and name HB2 ))
OR
(( segid " " and resid 1113 and name HG2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
6.000 6.000 0.000 peak 9540 weight 0.10000E+01 volume -0.26800E+00 ppm1 3.277 ppm2 1.862
ASSI (
(( segid " " and resid 1112 and name HA ))
)(
(( segid " " and resid 1150 and name HB ))
OR
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
OR
(( segid " " and resid 1113 and name HG1 ))
)
6.000 6.000 0.000 peak 9524 weight 0.10000E+01 volume -0.24500E+00 ppm1 3.277 ppm2 1.984
ASSI (
(( segid " " and resid 1112 and name HA ))
)(
(( segid " " and resid 1114 and name HB1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
OR
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
6.000 6.000 0.000 peak 9549 weight 0.10000E+01 volume -0.13100E+00 ppm1 3.280 ppm2 2.235
ASSI (
(( segid " " and resid 1112 and name HB1 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 9544 weight 0.10000E+01 volume 0.53300E+00 ppm1 1.291 ppm2 0.091
ASSI (
(( segid " " and resid 1112 and name HB2 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 7211 weight 0.10000E+01 volume 0.68800E+00 ppm1 0.371 ppm2 0.104
ASSI (
(( segid " " and resid 1112 and name HB2 ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1113 and name HD2 ))
OR
(( segid " " and resid 1113 and name HD1 ))
)
6.000 6.000 0.000 peak 9533 weight 0.10000E+01 volume 0.29800E+00 ppm1 0.372 ppm2 2.957
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
6.000 6.000 0.000 peak 7310 weight 0.10000E+01 volume -0.32800E+00 ppm1 3.537 ppm2 0.093
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
OR
(( segid " " and resid 1113 and name HG2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 9231 weight 0.10000E+01 volume -0.66600E+00 ppm1 3.538 ppm2 1.844
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1128 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB1 ))
)
5.000 5.000 0.000 peak 7279 weight 0.10000E+01 volume -0.73600E+00 ppm1 3.538 ppm2 2.518
ASSI (
(( segid " " and resid 1112 and name HG1 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 9233 weight 0.10000E+01 volume 0.10960E+01 ppm1 1.547 ppm2 0.104
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 9184 weight 0.10000E+01 volume 0.12740E+01 ppm1 1.100 ppm2 0.104
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
5.000 5.000 0.000 peak 9236 weight 0.10000E+01 volume 0.54000E+00 ppm1 1.097 ppm2 0.589
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1120 and name HG11))
)
5.000 5.000 0.000 peak 7321 weight 0.10000E+01 volume 0.50700E+00 ppm1 1.105 ppm2 1.412
ASSI (
(( segid " " and resid 1113 and name HA ))
)(
(( segid " " and resid 1113 and name HB2 ))
)
5.000 5.000 0.000 peak 7222 weight 0.10000E+01 volume -0.12430E+01 ppm1 4.593 ppm2 1.750
ASSI (
(( segid " " and resid 1113 and name HA ))
)(
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
OR
(( segid " " and resid 1113 and name HG1 ))
)
5.000 5.000 0.000 peak 7221 weight 0.10000E+01 volume -0.11520E+01 ppm1 4.593 ppm2 1.981
ASSI (
(( segid " " and resid 1113 and name HA ))
)(
(( segid " " and resid 1113 and name HB1 ))
)
3.300 3.300 0.000 peak 7219 weight 0.10000E+01 volume -0.18750E+01 ppm1 4.593 ppm2 2.229
ASSI (
(( segid " " and resid 1113 and name HB2 ))
)(
(( segid " " and resid 1113 and name HD2 ))
OR
(( segid " " and resid 1113 and name HD1 ))
)
6.000 6.000 0.000 peak 9230 weight 0.10000E+01 volume 0.21100E+00 ppm1 1.753 ppm2 2.944
ASSI (
(( segid " " and resid 1113 and name HD2 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
6.000 6.000 0.000 peak 9543 weight 0.10000E+01 volume -0.27600E+00 ppm1 2.948 ppm2 0.430
ASSI (
(( segid " " and resid 1114 and name HA ))
)(
(( segid " " and resid 1115 and name HN ))
)
2.700 2.700 0.000 peak 6537 weight 0.10000E+01 volume -0.32420E+01 ppm1 4.670 ppm2 8.712
ASSI (
(( segid " " and resid 1114 and name HD1 ))
)(
(( segid " " and resid 1114 and name HB1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
)
5.000 5.000 0.000 peak 9219 weight 0.10000E+01 volume -0.63200E+00 ppm1 3.808 ppm2 2.217
ASSI (
(( segid " " and resid 1114 and name HD2 ))
)(
(( segid " " and resid 1114 and name HB1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
)
5.000 5.000 0.000 peak 9220 weight 0.10000E+01 volume -0.94700E+00 ppm1 3.631 ppm2 2.222
ASSI (
(( segid " " and resid 1115 and name HA ))
)(
(( segid " " and resid 1115 and name HG11))
)
6.000 6.000 0.000 peak 7125 weight 0.10000E+01 volume -0.23100E+00 ppm1 4.520 ppm2 0.863
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1115 and name HG12))
)
5.000 5.000 0.000 peak 9676 weight 0.10000E+01 volume 0.11020E+01 ppm1 0.192 ppm2 0.640
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1115 and name HG12))
)
5.000 5.000 0.000 peak 9677 weight 0.10000E+01 volume 0.11500E+01 ppm1 0.192 ppm2 0.715
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1115 and name HG11))
)
5.000 5.000 0.000 peak 9678 weight 0.10000E+01 volume 0.15150E+01 ppm1 0.194 ppm2 0.876
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 9679 weight 0.10000E+01 volume 0.84600E+00 ppm1 0.196 ppm2 0.984
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
OR
(( segid " " and resid 1144 and name HG ))
)
6.000 6.000 0.000 peak 9687 weight 0.10000E+01 volume 0.21700E+00 ppm1 0.194 ppm2 1.361
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1115 and name HB ))
)
5.000 5.000 0.000 peak 8269 weight 0.10000E+01 volume 0.15170E+01 ppm1 0.196 ppm2 1.569
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1137 and name HB2 ))
OR
(( segid " " and resid 1114 and name HB2 ))
)
6.000 6.000 0.000 peak 9680 weight 0.10000E+01 volume 0.22900E+00 ppm1 0.196 ppm2 1.805
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1115 and name HN ))
)
6.000 6.000 0.000 peak 9684 weight 0.10000E+01 volume 0.28400E+00 ppm1 0.200 ppm2 8.719
ASSI (
(( segid " " and resid 1115 and name HG12))
)(
(( segid " " and resid 1115 and name HG11))
)
5.000 5.000 0.000 peak 9520 weight 0.10000E+01 volume 0.43600E+00 ppm1 0.686 ppm2 0.883
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
OR
(( segid " " and resid 1115 and name HG12))
)
5.000 5.000 0.000 peak 9686 weight 0.10000E+01 volume 0.64400E+00 ppm1 0.436 ppm2 0.726
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
OR
(( segid " " and resid 1144 and name HG ))
)
6.000 6.000 0.000 peak 9688 weight 0.10000E+01 volume 0.25500E+00 ppm1 0.442 ppm2 1.361
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1162 and name HA ))
OR
(( segid " " and resid 1115 and name HA ))
)
3.300 3.300 0.000 peak 7126 weight 0.10000E+01 volume 0.20080E+01 ppm1 0.439 ppm2 4.526
ASSI (
(( segid " " and resid 1116 and name HB1 ))
)(
(( segid " " and resid 1162 and name HA ))
OR
(( segid " " and resid 1118 and name HA1 ))
OR
(( segid " " and resid 1115 and name HA ))
)
5.000 5.000 0.000 peak 7127 weight 0.10000E+01 volume 0.48600E+00 ppm1 2.514 ppm2 4.525
ASSI (
(( segid " " and resid 1116 and name HB2 ))
)(
(( segid " " and resid 1162 and name HA ))
OR
(( segid " " and resid 1118 and name HA1 ))
OR
(( segid " " and resid 1115 and name HA ))
)
5.000 5.000 0.000 peak 7128 weight 0.10000E+01 volume 0.48400E+00 ppm1 2.491 ppm2 4.523
ASSI (
(( segid " " and resid 1117 and name HA ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
OR
(( segid " " and resid 1119 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
6.000 6.000 0.000 peak 7114 weight 0.10000E+01 volume -0.20300E+00 ppm1 3.780 ppm2 2.518
ASSI (
(( segid " " and resid 1117 and name HA ))
)(
(( segid " " and resid 1116 and name HA ))
)
5.000 5.000 0.000 peak 7113 weight 0.10000E+01 volume -0.43700E+00 ppm1 3.780 ppm2 4.349
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
6.000 6.000 0.000 peak 6399 weight 0.10000E+01 volume -0.21200E+00 ppm1 5.002 ppm2 0.485
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 6397 weight 0.10000E+01 volume -0.76200E+00 ppm1 5.006 ppm2 0.755
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1120 and name HG11))
)
6.000 6.000 0.000 peak 6396 weight 0.10000E+01 volume -0.30800E+00 ppm1 5.006 ppm2 1.418
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1119 and name HB2 ))
)
3.300 3.300 0.000 peak 6395 weight 0.10000E+01 volume -0.20200E+01 ppm1 5.006 ppm2 2.548
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1119 and name HB1 ))
)
3.300 3.300 0.000 peak 6394 weight 0.10000E+01 volume -0.24280E+01 ppm1 5.006 ppm2 2.651
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 7708 weight 0.10000E+01 volume -0.16100E+00 ppm1 5.002 ppm2 6.430
ASSI (
(( segid " " and resid 1120 and name HA ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
6.000 6.000 0.000 peak 6577 weight 0.10000E+01 volume -0.26800E+00 ppm1 4.736 ppm2 0.514
ASSI (
(( segid " " and resid 1120 and name HA ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 6576 weight 0.10000E+01 volume -0.42700E+00 ppm1 4.744 ppm2 0.992
ASSI (
(( segid " " and resid 1120 and name HB ))
)(
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 9179 weight 0.10000E+01 volume 0.48400E+00 ppm1 1.503 ppm2 0.750
ASSI (
(( segid " " and resid 1120 and name HB ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 9180 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.502 ppm2 0.985
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1120 and name HG12))
)
2.700 2.700 0.000 peak 7084 weight 0.10000E+01 volume 0.41550E+01 ppm1 0.502 ppm2 0.759
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1125 and name HB1 ))
OR
(( segid " " and resid 1112 and name HB1 ))
)
5.000 5.000 0.000 peak 7082 weight 0.10000E+01 volume 0.46100E+00 ppm1 0.496 ppm2 1.296
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1120 and name HG11))
)
2.700 2.700 0.000 peak 7081 weight 0.10000E+01 volume 0.35210E+01 ppm1 0.498 ppm2 1.420
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
OR
(( segid " " and resid 1124 and name HB2 ))
OR
(( segid " " and resid 1114 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 7079 weight 0.10000E+01 volume 0.12130E+01 ppm1 0.498 ppm2 1.876
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1123 and name HA ))
OR
(( segid " " and resid 1122 and name HA ))
)
5.000 5.000 0.000 peak 7075 weight 0.10000E+01 volume 0.92000E+00 ppm1 0.500 ppm2 4.648
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1120 and name HA ))
OR
(( segid " " and resid 1111 and name HA ))
)
6.000 6.000 0.000 peak 7076 weight 0.10000E+01 volume 0.35800E+00 ppm1 0.501 ppm2 4.755
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
OR
(( segid " " and resid 1122 and name HN ))
)
5.000 5.000 0.000 peak 7074 weight 0.10000E+01 volume 0.52200E+00 ppm1 0.502 ppm2 7.083
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1123 and name HN ))
OR
(( segid " " and resid 1121 and name HN ))
)
6.000 6.000 0.000 peak 7073 weight 0.10000E+01 volume 0.35600E+00 ppm1 0.499 ppm2 8.270
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1120 and name HN ))
)
5.000 5.000 0.000 peak 7071 weight 0.10000E+01 volume 0.82500E+00 ppm1 0.501 ppm2 8.521
ASSI (
(( segid " " and resid 1120 and name HG11))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 9186 weight 0.10000E+01 volume 0.58300E+00 ppm1 1.420 ppm2 0.104
ASSI (
(( segid " " and resid 1120 and name HG12))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 9185 weight 0.10000E+01 volume 0.70000E+00 ppm1 0.755 ppm2 0.104
ASSI (
(( segid " " and resid 1120 and name HG12))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
6.000 6.000 0.000 peak 6415 weight 0.10000E+01 volume 0.10300E+00 ppm1 0.746 ppm2 5.014
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
5.000 5.000 0.000 peak 6400 weight 0.10000E+01 volume 0.62200E+00 ppm1 0.106 ppm2 4.999
ASSI (
(( segid " " and resid 1122 and name HB1 ))
)(
(( segid " " and resid 1123 and name HB2 ))
OR
(( segid " " and resid 1123 and name HB1 ))
)
6.000 6.000 0.000 peak 9168 weight 0.10000E+01 volume -0.19100E+00 ppm1 3.965 ppm2 3.034
ASSI (
(( segid " " and resid 1122 and name HB2 ))
)(
(( segid " " and resid 1123 and name HB2 ))
OR
(( segid " " and resid 1123 and name HB1 ))
)
6.000 6.000 0.000 peak 9167 weight 0.10000E+01 volume -0.19100E+00 ppm1 3.830 ppm2 3.046
ASSI (
(( segid " " and resid 1123 and name HA ))
)(
(( segid " " and resid 1123 and name HD2 ))
OR
(( segid " " and resid 1123 and name HD1 ))
)
5.000 5.000 0.000 peak 7056 weight 0.10000E+01 volume -0.40900E+00 ppm1 4.687 ppm2 7.272
ASSI (
(( segid " " and resid 1123 and name HA ))
)(
(( segid " " and resid 1123 and name HN ))
)
5.000 5.000 0.000 peak 7055 weight 0.10000E+01 volume -0.74100E+00 ppm1 4.687 ppm2 8.308
ASSI (
(( segid " " and resid 1123 and name HB1 ))
)(
(( segid " " and resid 1124 and name HD1 ))
)
6.000 6.000 0.000 peak 9156 weight 0.10000E+01 volume 0.20800E+00 ppm1 3.074 ppm2 3.735
ASSI (
(( segid " " and resid 1123 and name HB2 ))
)(
(( segid " " and resid 1124 and name HD1 ))
)
6.000 6.000 0.000 peak 8148 weight 0.10000E+01 volume 0.29500E+00 ppm1 3.024 ppm2 3.726
ASSI (
(( segid " " and resid 1124 and name HA ))
)(
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
OR
(( segid " " and resid 1125 and name HB2 ))
)
5.000 5.000 0.000 peak 7068 weight 0.10000E+01 volume -0.41100E+00 ppm1 4.266 ppm2 0.857
ASSI (
(( segid " " and resid 1124 and name HA ))
)(
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1120 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 7067 weight 0.10000E+01 volume -0.30200E+00 ppm1 4.266 ppm2 1.553
ASSI (
(( segid " " and resid 1124 and name HA ))
)(
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
OR
(( segid " " and resid 1124 and name HB2 ))
)
5.000 5.000 0.000 peak 7066 weight 0.10000E+01 volume -0.14180E+01 ppm1 4.267 ppm2 1.889
ASSI (
(( segid " " and resid 1124 and name HD1 ))
)(
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
OR
(( segid " " and resid 1124 and name HB2 ))
)
3.300 3.300 0.000 peak 9479 weight 0.10000E+01 volume -0.22550E+01 ppm1 3.736 ppm2 1.877
ASSI (
(( segid " " and resid 1125 and name HA ))
)(
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
OR
(( segid " " and resid 1125 and name HB2 ))
)
2.700 2.700 0.000 peak 7045 weight 0.10000E+01 volume -0.34420E+01 ppm1 4.585 ppm2 0.870
ASSI (
(( segid " " and resid 1125 and name HA ))
)(
(( segid " " and resid 1125 and name HB1 ))
)
5.000 5.000 0.000 peak 7044 weight 0.10000E+01 volume -0.95100E+00 ppm1 4.584 ppm2 1.276
ASSI (
(( segid " " and resid 1125 and name HA ))
)(
(( segid " " and resid 1125 and name HN ))
)
5.000 5.000 0.000 peak 7051 weight 0.10000E+01 volume -0.74200E+00 ppm1 4.580 ppm2 7.738
ASSI (
(( segid " " and resid 1125 and name HB1 ))
)(
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HB2 ))
)
3.300 3.300 0.000 peak 9136 weight 0.10000E+01 volume 0.27510E+01 ppm1 1.264 ppm2 0.851
ASSI (
(( segid " " and resid 1125 and name HB1 ))
)(
(( segid " " and resid 1125 and name HG ))
)
5.000 5.000 0.000 peak 9138 weight 0.10000E+01 volume 0.50700E+00 ppm1 1.264 ppm2 1.559
ASSI (
(( segid " " and resid 1125 and name HB1 ))
)(
(( segid " " and resid 1126 and name HN ))
)
5.000 5.000 0.000 peak 9141 weight 0.10000E+01 volume 0.58400E+00 ppm1 1.265 ppm2 8.334
ASSI (
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)(
(( segid " " and resid 1125 and name HB1 ))
)
5.000 5.000 0.000 peak 9142 weight 0.10000E+01 volume 0.11870E+01 ppm1 0.688 ppm2 1.268
ASSI (
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)(
(( segid " " and resid 1125 and name HG ))
)
3.300 3.300 0.000 peak 2554 weight 0.10000E+01 volume 0.26060E+01 ppm1 0.688 ppm2 1.566
ASSI (
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)(
(( segid " " and resid 1128 and name HA ))
OR
(( segid " " and resid 1125 and name HA ))
)
5.000 5.000 0.000 peak 2820 weight 0.10000E+01 volume 0.64400E+00 ppm1 0.689 ppm2 4.591
ASSI (
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
5.000 5.000 0.000 peak 9123 weight 0.10000E+01 volume 0.40700E+00 ppm1 0.693 ppm2 6.830
ASSI (
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)(
(( segid " " and resid 1129 and name HN ))
OR
(( segid " " and resid 1126 and name HN ))
OR
(( segid " " and resid 1123 and name HN ))
)
6.000 6.000 0.000 peak 9145 weight 0.10000E+01 volume 0.31700E+00 ppm1 0.691 ppm2 8.340
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
2.700 2.700 0.000 peak 9667 weight 0.10000E+01 volume 0.63330E+01 ppm1 0.874 ppm2 0.681
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1125 and name HB1 ))
)
3.300 3.300 0.000 peak 9666 weight 0.10000E+01 volume 0.21870E+01 ppm1 0.875 ppm2 1.250
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1120 and name HG11))
)
5.000 5.000 0.000 peak 9665 weight 0.10000E+01 volume 0.57800E+00 ppm1 0.877 ppm2 1.402
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1125 and name HG ))
)
3.300 3.300 0.000 peak 9480 weight 0.10000E+01 volume 0.25800E+01 ppm1 0.878 ppm2 1.564
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
6.000 6.000 0.000 peak 9668 weight 0.10000E+01 volume 0.17000E+00 ppm1 0.879 ppm2 6.837
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1127 and name HN ))
)
6.000 6.000 0.000 peak 9669 weight 0.10000E+01 volume 0.21000E+00 ppm1 0.879 ppm2 6.986
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 9670 weight 0.10000E+01 volume 0.10200E+00 ppm1 0.879 ppm2 7.115
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1123 and name HD2 ))
OR
(( segid " " and resid 1123 and name HD1 ))
)
6.000 6.000 0.000 peak 9671 weight 0.10000E+01 volume 0.39100E+00 ppm1 0.881 ppm2 7.268
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1125 and name HN ))
)
6.000 6.000 0.000 peak 9672 weight 0.10000E+01 volume 0.31700E+00 ppm1 0.880 ppm2 7.747
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1126 and name HN ))
OR
(( segid " " and resid 1123 and name HN ))
)
5.000 5.000 0.000 peak 9673 weight 0.10000E+01 volume 0.53800E+00 ppm1 0.881 ppm2 8.333
ASSI (
(( segid " " and resid 1125 and name HD22))
)(
(( segid " " and resid 1120 and name HN ))
)
6.000 6.000 0.000 peak 9674 weight 0.10000E+01 volume 0.16200E+00 ppm1 0.878 ppm2 8.503
ASSI (
(( segid " " and resid 1127 and name HA ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
3.300 3.300 0.000 peak 6586 weight 0.10000E+01 volume -0.25120E+01 ppm1 4.720 ppm2 0.834
ASSI (
(( segid " " and resid 1127 and name HA ))
)(
(( segid " " and resid 1128 and name HA ))
OR
(( segid " " and resid 1125 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 6584 weight 0.10000E+01 volume -0.86800E+00 ppm1 4.718 ppm2 4.572
ASSI (
(( segid " " and resid 1128 and name HA ))
)(
(( segid " " and resid 1128 and name HN ))
)
6.000 6.000 0.000 peak 7034 weight 0.10000E+01 volume -0.29800E+00 ppm1 4.585 ppm2 8.952
ASSI (
(( segid " " and resid 1128 and name HB2 ))
)(
(( segid " " and resid 1128 and name HA ))
)
6.000 6.000 0.000 peak 7038 weight 0.10000E+01 volume 0.35300E+00 ppm1 2.511 ppm2 4.577
ASSI (
(( segid " " and resid 1128 and name HB2 ))
)(
(( segid " " and resid 1157 and name HZ2 ))
)
6.000 6.000 0.000 peak 3239 weight 0.10000E+01 volume 0.25400E+00 ppm1 2.502 ppm2 6.539
ASSI (
(( segid " " and resid 1128 and name HB2 ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
6.000 6.000 0.000 peak 3254 weight 0.10000E+01 volume 0.16400E+00 ppm1 2.505 ppm2 6.826
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
OR
(( segid " " and resid 1125 and name HB2 ))
)
6.000 6.000 0.000 peak 9119 weight 0.10000E+01 volume -0.26700E+00 ppm1 6.818 ppm2 0.856
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1112 and name HG2 ))
)
6.000 6.000 0.000 peak 9120 weight 0.10000E+01 volume -0.16300E+00 ppm1 6.819 ppm2 1.115
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1128 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB1 ))
)
6.000 6.000 0.000 peak 9116 weight 0.10000E+01 volume -0.19000E+00 ppm1 6.818 ppm2 2.518
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1124 and name HD2 ))
OR
(( segid " " and resid 1113 and name HD2 ))
)
6.000 6.000 0.000 peak 9122 weight 0.10000E+01 volume -0.22300E+00 ppm1 6.820 ppm2 2.928
ASSI (
(( segid " " and resid 1129 and name HA ))
)(
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
6.000 6.000 0.000 peak 7020 weight 0.10000E+01 volume -0.27000E+00 ppm1 4.350 ppm2 1.548
ASSI (
(( segid " " and resid 1129 and name HA ))
)(
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
6.000 6.000 0.000 peak 7017 weight 0.10000E+01 volume -0.22800E+00 ppm1 4.348 ppm2 2.924
ASSI (
(( segid " " and resid 1129 and name HA ))
)(
(( segid " " and resid 1129 and name HN ))
)
5.000 5.000 0.000 peak 7014 weight 0.10000E+01 volume -0.77100E+00 ppm1 4.351 ppm2 8.334
ASSI (
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)(
(( segid " " and resid 1128 and name HA ))
)
5.000 5.000 0.000 peak 9097 weight 0.10000E+01 volume 0.77200E+00 ppm1 1.384 ppm2 4.615
ASSI (
(( segid " " and resid 1130 and name HA ))
)(
(( segid " " and resid 1130 and name HG1 ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 7012 weight 0.10000E+01 volume -0.27900E+00 ppm1 3.966 ppm2 2.046
ASSI (
(( segid " " and resid 1130 and name HB1 ))
)(
(( segid " " and resid 1130 and name HG2 ))
OR
(( segid " " and resid 1130 and name HB2 ))
)
2.700 2.700 0.000 peak 9450 weight 0.10000E+01 volume 0.54990E+01 ppm1 2.285 ppm2 1.893
ASSI (
(( segid " " and resid 1130 and name HB2 ))
)(
(( segid " " and resid 1130 and name HB1 ))
)
2.700 2.700 0.000 peak 9458 weight 0.10000E+01 volume 0.46410E+01 ppm1 1.891 ppm2 2.286
ASSI (
(( segid " " and resid 1130 and name HD2 ))
)(
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
5.000 5.000 0.000 peak 9658 weight 0.10000E+01 volume -0.48900E+00 ppm1 3.402 ppm2 1.554
ASSI (
(( segid " " and resid 1130 and name HD2 ))
)(
(( segid " " and resid 1130 and name HB1 ))
)
5.000 5.000 0.000 peak 9650 weight 0.10000E+01 volume -0.44800E+00 ppm1 3.407 ppm2 2.274
ASSI (
(( segid " " and resid 1130 and name HD2 ))
)(
(( segid " " and resid 1130 and name HA ))
)
6.000 6.000 0.000 peak 9656 weight 0.10000E+01 volume -0.33400E+00 ppm1 3.409 ppm2 3.968
ASSI (
(( segid " " and resid 1130 and name HG1 ))
)(
(( segid " " and resid 1129 and name HA ))
)
5.000 5.000 0.000 peak 7025 weight 0.10000E+01 volume 0.44900E+00 ppm1 2.030 ppm2 4.337
ASSI (
(( segid " " and resid 1131 and name HA ))
)(
(( segid " " and resid 1152 and name HA ))
OR
(( segid " " and resid 1130 and name HA ))
)
5.000 5.000 0.000 peak 7003 weight 0.10000E+01 volume -0.76800E+00 ppm1 3.804 ppm2 3.962
ASSI (
(( segid " " and resid 1131 and name HB3 ))
OR
(( segid " " and resid 1131 and name HB2 ))
OR
(( segid " " and resid 1131 and name HB1 ))
)(
(( segid " " and resid 1152 and name HB1 ))
OR
(( segid " " and resid 1130 and name HB1 ))
)
6.000 6.000 0.000 peak 7009 weight 0.10000E+01 volume 0.23600E+00 ppm1 1.613 ppm2 2.297
ASSI (
(( segid " " and resid 1132 and name HB1 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
6.000 6.000 0.000 peak 9072 weight 0.10000E+01 volume -0.19500E+00 ppm1 4.204 ppm2 1.394
ASSI (
(( segid " " and resid 1132 and name HB1 ))
)(
(( segid " " and resid 1132 and name HB2 ))
)
3.300 3.300 0.000 peak 9065 weight 0.10000E+01 volume -0.25470E+01 ppm1 4.203 ppm2 4.027
ASSI (
(( segid " " and resid 1132 and name HB1 ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
5.000 5.000 0.000 peak 9073 weight 0.10000E+01 volume -0.41200E+00 ppm1 4.205 ppm2 7.124
ASSI (
(( segid " " and resid 1132 and name HB1 ))
)(
(( segid " " and resid 1152 and name HN ))
OR
(( segid " " and resid 1129 and name HN ))
)
6.000 6.000 0.000 peak 9077 weight 0.10000E+01 volume -0.21300E+00 ppm1 4.206 ppm2 8.335
ASSI (
(( segid " " and resid 1132 and name HB2 ))
)(
(( segid " " and resid 1128 and name HB1 ))
)
6.000 6.000 0.000 peak 9071 weight 0.10000E+01 volume -0.26600E+00 ppm1 4.028 ppm2 2.942
ASSI (
(( segid " " and resid 1132 and name HB2 ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 9074 weight 0.10000E+01 volume -0.30100E+00 ppm1 4.028 ppm2 7.120
ASSI (
(( segid " " and resid 1133 and name HA ))
)(
(( segid " " and resid 1157 and name HH2 ))
)
5.000 5.000 0.000 peak 6241 weight 0.10000E+01 volume -0.59400E+00 ppm1 6.015 ppm2 6.737
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1149 and name HG2 ))
)
5.000 5.000 0.000 peak 7188 weight 0.10000E+01 volume -0.42100E+00 ppm1 3.823 ppm2 1.390
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)
6.000 6.000 0.000 peak 7192 weight 0.10000E+01 volume -0.16400E+00 ppm1 3.822 ppm2 1.710
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
5.000 5.000 0.000 peak 7186 weight 0.10000E+01 volume -0.67800E+00 ppm1 3.822 ppm2 3.148
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1132 and name HB2 ))
)
6.000 6.000 0.000 peak 7185 weight 0.10000E+01 volume -0.17900E+00 ppm1 3.820 ppm2 4.008
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
)
5.000 5.000 0.000 peak 7199 weight 0.10000E+01 volume -0.68900E+00 ppm1 3.822 ppm2 8.260
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1133 and name HN ))
)
5.000 5.000 0.000 peak 7196 weight 0.10000E+01 volume -0.54400E+00 ppm1 3.822 ppm2 8.486
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1149 and name HG2 ))
)
5.000 5.000 0.000 peak 7189 weight 0.10000E+01 volume -0.46700E+00 ppm1 3.755 ppm2 1.390
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)
6.000 6.000 0.000 peak 7193 weight 0.10000E+01 volume -0.24000E+00 ppm1 3.755 ppm2 1.712
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
5.000 5.000 0.000 peak 7187 weight 0.10000E+01 volume -0.66600E+00 ppm1 3.754 ppm2 3.146
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1148 and name HA ))
OR
(( segid " " and resid 1132 and name HB2 ))
)
6.000 6.000 0.000 peak 7184 weight 0.10000E+01 volume -0.15600E+00 ppm1 3.742 ppm2 4.008
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1134 and name HN ))
)
5.000 5.000 0.000 peak 7198 weight 0.10000E+01 volume -0.85400E+00 ppm1 3.754 ppm2 8.270
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1133 and name HN ))
)
5.000 5.000 0.000 peak 7197 weight 0.10000E+01 volume -0.57400E+00 ppm1 3.754 ppm2 8.485
ASSI (
(( segid " " and resid 1134 and name HB ))
)(
(( segid " " and resid 1134 and name HA ))
)
5.000 5.000 0.000 peak 8699 weight 0.10000E+01 volume 0.84400E+00 ppm1 1.573 ppm2 4.387
ASSI (
(( segid " " and resid 1134 and name HB ))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
)
5.000 5.000 0.000 peak 9056 weight 0.10000E+01 volume 0.11970E+01 ppm1 1.573 ppm2 8.286
ASSI (
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
2.700 2.700 0.000 peak 9055 weight 0.10000E+01 volume 0.53460E+01 ppm1 0.578 ppm2 0.102
ASSI (
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
OR
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 9054 weight 0.10000E+01 volume 0.10100E+01 ppm1 0.577 ppm2 8.283
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1150 and name HG11))
)
5.000 5.000 0.000 peak 7771 weight 0.10000E+01 volume 0.65200E+00 ppm1 0.099 ppm2 0.868
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1157 and name HH2 ))
OR
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
6.000 6.000 0.000 peak 7763 weight 0.10000E+01 volume 0.29300E+00 ppm1 0.100 ppm2 6.768
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
)
5.000 5.000 0.000 peak 7761 weight 0.10000E+01 volume 0.98000E+00 ppm1 0.102 ppm2 8.278
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
)
5.000 5.000 0.000 peak 6435 weight 0.10000E+01 volume -0.56400E+00 ppm1 5.358 ppm2 1.586
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1135 and name HG2 ))
)
5.000 5.000 0.000 peak 6279 weight 0.10000E+01 volume -0.50300E+00 ppm1 5.358 ppm2 2.059
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1148 and name HB1 ))
OR
(( segid " " and resid 1135 and name HG1 ))
)
6.000 6.000 0.000 peak 6278 weight 0.10000E+01 volume -0.38700E+00 ppm1 5.357 ppm2 2.168
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
6.000 6.000 0.000 peak 6277 weight 0.10000E+01 volume -0.34200E+00 ppm1 5.356 ppm2 2.443
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
)
5.000 5.000 0.000 peak 6434 weight 0.10000E+01 volume -0.52800E+00 ppm1 5.357 ppm2 8.291
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1136 and name HN ))
)
3.300 3.300 0.000 peak 6275 weight 0.10000E+01 volume -0.22100E+01 ppm1 5.358 ppm2 8.364
ASSI (
(( segid " " and resid 1135 and name HB1 ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
5.000 5.000 0.000 peak 6282 weight 0.10000E+01 volume 0.75700E+00 ppm1 1.846 ppm2 5.368
ASSI (
(( segid " " and resid 1135 and name HB2 ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
5.000 5.000 0.000 peak 6283 weight 0.10000E+01 volume 0.10700E+01 ppm1 1.742 ppm2 5.373
ASSI (
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 6456 weight 0.10000E+01 volume 0.54000E+00 ppm1 2.455 ppm2 0.762
ASSI (
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 6457 weight 0.10000E+01 volume 0.32000E+00 ppm1 2.453 ppm2 0.963
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
6.000 6.000 0.000 peak 7701 weight 0.10000E+01 volume -0.28800E+00 ppm1 6.597 ppm2 0.107
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
5.000 5.000 0.000 peak 7699 weight 0.10000E+01 volume -0.48900E+00 ppm1 6.600 ppm2 0.441
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
OR
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
6.000 6.000 0.000 peak 9647 weight 0.10000E+01 volume -0.17900E+00 ppm1 6.590 ppm2 0.609
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
OR
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 7698 weight 0.10000E+01 volume -0.46300E+00 ppm1 6.599 ppm2 0.751
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1150 and name HG11))
OR
(( segid " " and resid 1115 and name HG11))
)
6.000 6.000 0.000 peak 7697 weight 0.10000E+01 volume -0.25100E+00 ppm1 6.594 ppm2 0.860
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 7696 weight 0.10000E+01 volume -0.24400E+00 ppm1 6.601 ppm2 0.975
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1115 and name HB ))
)
6.000 6.000 0.000 peak 7695 weight 0.10000E+01 volume -0.37600E+00 ppm1 6.599 ppm2 1.608
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
5.000 5.000 0.000 peak 6390 weight 0.10000E+01 volume -0.43000E+00 ppm1 6.599 ppm2 4.999
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
6.000 6.000 0.000 peak 7693 weight 0.10000E+01 volume -0.14700E+00 ppm1 6.599 ppm2 5.378
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 7736 weight 0.10000E+01 volume -0.47100E+00 ppm1 6.432 ppm2 0.105
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
6.000 6.000 0.000 peak 7735 weight 0.10000E+01 volume -0.17900E+00 ppm1 6.428 ppm2 0.193
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
5.000 5.000 0.000 peak 7734 weight 0.10000E+01 volume -0.11040E+01 ppm1 6.433 ppm2 0.441
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
OR
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 7733 weight 0.10000E+01 volume -0.52700E+00 ppm1 6.432 ppm2 0.758
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1150 and name HG11))
OR
(( segid " " and resid 1115 and name HG11))
)
6.000 6.000 0.000 peak 7732 weight 0.10000E+01 volume -0.33700E+00 ppm1 6.432 ppm2 0.872
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1120 and name HG11))
)
6.000 6.000 0.000 peak 7731 weight 0.10000E+01 volume -0.29200E+00 ppm1 6.424 ppm2 1.390
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1120 and name HB ))
OR
(( segid " " and resid 1115 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 7730 weight 0.10000E+01 volume -0.20200E+00 ppm1 6.432 ppm2 1.542
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
OR
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
6.000 6.000 0.000 peak 7729 weight 0.10000E+01 volume -0.29400E+00 ppm1 6.432 ppm2 2.459
ASSI (
(( segid " " and resid 1137 and name HA ))
)(
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
)
5.000 5.000 0.000 peak 6971 weight 0.10000E+01 volume -0.56500E+00 ppm1 4.528 ppm2 2.234
ASSI (
(( segid " " and resid 1137 and name HA ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
OR
(( segid " " and resid 1119 and name HB2 ))
)
5.000 5.000 0.000 peak 6972 weight 0.10000E+01 volume -0.66400E+00 ppm1 4.524 ppm2 2.540
ASSI (
(( segid " " and resid 1137 and name HA ))
)(
(( segid " " and resid 1138 and name HN ))
)
2.700 2.700 0.000 peak 6974 weight 0.10000E+01 volume -0.37460E+01 ppm1 4.528 ppm2 8.884
ASSI (
(( segid " " and resid 1138 and name HA ))
)(
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1139 and name HB2 ))
)
6.000 6.000 0.000 peak 9037 weight 0.10000E+01 volume -0.22100E+00 ppm1 5.149 ppm2 1.616
ASSI (
(( segid " " and resid 1138 and name HA ))
)(
(( segid " " and resid 1142 and name HB2 ))
OR
(( segid " " and resid 1139 and name HG1 ))
OR
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
)
6.000 6.000 0.000 peak 6351 weight 0.10000E+01 volume -0.23200E+00 ppm1 5.140 ppm2 2.280
ASSI (
(( segid " " and resid 1138 and name HA ))
)(
(( segid " " and resid 1138 and name HB1 ))
)
5.000 5.000 0.000 peak 6341 weight 0.10000E+01 volume -0.54300E+00 ppm1 5.140 ppm2 2.972
ASSI (
(( segid " " and resid 1139 and name HG1 ))
)(
(( segid " " and resid 1142 and name HN ))
OR
(( segid " " and resid 1140 and name HN ))
)
6.000 6.000 0.000 peak 9436 weight 0.10000E+01 volume 0.21600E+00 ppm1 2.288 ppm2 8.473
ASSI (
(( segid " " and resid 1139 and name HG2 ))
)(
(( segid " " and resid 1142 and name HD1 ))
OR
(( segid " " and resid 1139 and name HE22))
)
6.000 6.000 0.000 peak 9433 weight 0.10000E+01 volume 0.31400E+00 ppm1 2.163 ppm2 6.673
ASSI (
(( segid " " and resid 1139 and name HG2 ))
)(
(( segid " " and resid 1140 and name HN ))
)
6.000 6.000 0.000 peak 9437 weight 0.10000E+01 volume 0.26000E+00 ppm1 2.159 ppm2 8.486
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
OR
(( segid " " and resid 1139 and name HB2 ))
)
5.000 5.000 0.000 peak 8992 weight 0.10000E+01 volume -0.40000E+00 ppm1 3.691 ppm2 1.652
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
6.000 6.000 0.000 peak 8990 weight 0.10000E+01 volume -0.35200E+00 ppm1 3.687 ppm2 3.140
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1142 and name HN ))
OR
(( segid " " and resid 1140 and name HN ))
)
5.000 5.000 0.000 peak 8989 weight 0.10000E+01 volume -0.41600E+00 ppm1 3.692 ppm2 8.458
ASSI (
(( segid " " and resid 1141 and name HB1 ))
)(
(( segid " " and resid 1166 and name HG2 ))
OR
(( segid " " and resid 1141 and name HG ))
)
5.000 5.000 0.000 peak 9002 weight 0.10000E+01 volume 0.67600E+00 ppm1 2.076 ppm2 1.421
ASSI (
(( segid " " and resid 1141 and name HB2 ))
)(
(( segid " " and resid 1166 and name HG2 ))
OR
(( segid " " and resid 1141 and name HG ))
)
5.000 5.000 0.000 peak 9001 weight 0.10000E+01 volume 0.74400E+00 ppm1 1.192 ppm2 1.421
ASSI (
(( segid " " and resid 1141 and name HB2 ))
)(
(( segid " " and resid 1166 and name HB2 ))
)
6.000 6.000 0.000 peak 9007 weight 0.10000E+01 volume 0.25100E+00 ppm1 1.181 ppm2 1.787
ASSI (
(( segid " " and resid 1141 and name HB2 ))
)(
(( segid " " and resid 1141 and name HB1 ))
)
3.300 3.300 0.000 peak 3675 weight 0.10000E+01 volume 0.19040E+01 ppm1 1.193 ppm2 2.083
ASSI (
(( segid " " and resid 1141 and name HB2 ))
)(
(( segid " " and resid 1166 and name HB1 ))
)
6.000 6.000 0.000 peak 9006 weight 0.10000E+01 volume 0.34200E+00 ppm1 1.181 ppm2 2.205
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1141 and name HB2 ))
)
5.000 5.000 0.000 peak 9015 weight 0.10000E+01 volume 0.12900E+01 ppm1 0.437 ppm2 1.201
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1141 and name HG ))
)
3.300 3.300 0.000 peak 7858 weight 0.10000E+01 volume 0.22770E+01 ppm1 0.435 ppm2 1.418
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1141 and name HB1 ))
)
3.300 3.300 0.000 peak 7856 weight 0.10000E+01 volume 0.18180E+01 ppm1 0.433 ppm2 2.082
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1167 and name HB2 ))
OR
(( segid " " and resid 1140 and name HB2 ))
)
5.000 5.000 0.000 peak 7854 weight 0.10000E+01 volume 0.40000E+00 ppm1 0.432 ppm2 2.711
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
OR
(( segid " " and resid 1140 and name HB1 ))
)
5.000 5.000 0.000 peak 7855 weight 0.10000E+01 volume 0.10920E+01 ppm1 0.432 ppm2 2.811
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1166 and name HB1 ))
)
6.000 6.000 0.000 peak 9645 weight 0.10000E+01 volume 0.32000E+00 ppm1 0.627 ppm2 2.221
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1140 and name HB2 ))
)
6.000 6.000 0.000 peak 9644 weight 0.10000E+01 volume 0.26700E+00 ppm1 0.627 ppm2 2.671
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1140 and name HB1 ))
)
6.000 6.000 0.000 peak 9024 weight 0.10000E+01 volume 0.32700E+00 ppm1 0.629 ppm2 2.806
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
5.000 5.000 0.000 peak 9636 weight 0.10000E+01 volume 0.44200E+00 ppm1 0.629 ppm2 3.130
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1192 and name HA ))
OR
(( segid " " and resid 1168 and name HA ))
)
6.000 6.000 0.000 peak 9643 weight 0.10000E+01 volume 0.22100E+00 ppm1 0.627 ppm2 4.222
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1141 and name HN ))
)
5.000 5.000 0.000 peak 9640 weight 0.10000E+01 volume 0.77000E+00 ppm1 0.629 ppm2 8.289
ASSI (
(( segid " " and resid 1142 and name HA ))
)(
(( segid " " and resid 1143 and name HN ))
)
5.000 5.000 0.000 peak 8968 weight 0.10000E+01 volume -0.78200E+00 ppm1 4.368 ppm2 7.888
ASSI (
(( segid " " and resid 1142 and name HA ))
)(
(( segid " " and resid 1142 and name HN ))
)
6.000 6.000 0.000 peak 8969 weight 0.10000E+01 volume -0.30800E+00 ppm1 4.368 ppm2 8.437
ASSI (
(( segid " " and resid 1142 and name HB1 ))
)(
(( segid " " and resid 1142 and name HB2 ))
)
5.000 5.000 0.000 peak 8976 weight 0.10000E+01 volume 0.46300E+00 ppm1 3.427 ppm2 2.272
ASSI (
(( segid " " and resid 1142 and name HB1 ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
5.000 5.000 0.000 peak 8977 weight 0.10000E+01 volume 0.67100E+00 ppm1 3.427 ppm2 2.540
ASSI (
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)(
(( segid " " and resid 1142 and name HB2 ))
)
5.000 5.000 0.000 peak 8099 weight 0.10000E+01 volume -0.46800E+00 ppm1 6.667 ppm2 2.277
ASSI (
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
5.000 5.000 0.000 peak 8100 weight 0.10000E+01 volume -0.40300E+00 ppm1 6.665 ppm2 2.518
ASSI (
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)(
(( segid " " and resid 1166 and name HD1 ))
OR
(( segid " " and resid 1138 and name HB1 ))
)
6.000 6.000 0.000 peak 8984 weight 0.10000E+01 volume -0.29100E+00 ppm1 6.670 ppm2 2.952
ASSI (
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)(
(( segid " " and resid 1141 and name HB1 ))
OR
(( segid " " and resid 1117 and name HB1 ))
)
6.000 6.000 0.000 peak 7727 weight 0.10000E+01 volume -0.25300E+00 ppm1 6.188 ppm2 2.108
ASSI (
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)(
(( segid " " and resid 1165 and name HA ))
)
6.000 6.000 0.000 peak 6231 weight 0.10000E+01 volume -0.14400E+00 ppm1 6.198 ppm2 4.021
ASSI (
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)(
(( segid " " and resid 1139 and name HE21))
OR
(( segid " " and resid 1117 and name HD21))
)
6.000 6.000 0.000 peak 7725 weight 0.10000E+01 volume -0.21000E+00 ppm1 6.195 ppm2 7.416
ASSI (
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)(
(( segid " " and resid 1140 and name HD21))
)
6.000 6.000 0.000 peak 7726 weight 0.10000E+01 volume -0.14600E+00 ppm1 6.187 ppm2 7.705
ASSI (
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)(
(( segid " " and resid 1143 and name HB2 ))
)
3.300 3.300 0.000 peak 9423 weight 0.10000E+01 volume 0.16860E+01 ppm1 2.174 ppm2 1.665
ASSI (
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)(
(( segid " " and resid 1144 and name HA ))
OR
(( segid " " and resid 1143 and name HA ))
)
5.000 5.000 0.000 peak 9425 weight 0.10000E+01 volume 0.71400E+00 ppm1 2.173 ppm2 4.662
ASSI (
(( segid " " and resid 1144 and name HB1 ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 8961 weight 0.10000E+01 volume 0.94500E+00 ppm1 1.613 ppm2 0.585
ASSI (
(( segid " " and resid 1144 and name HB2 ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 8960 weight 0.10000E+01 volume 0.11720E+01 ppm1 1.589 ppm2 0.584
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
2.700 2.700 0.000 peak 8535 weight 0.10000E+01 volume 0.36830E+01 ppm1 0.757 ppm2 0.584
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1144 and name HG ))
)
3.300 3.300 0.000 peak 8534 weight 0.10000E+01 volume 0.16520E+01 ppm1 0.757 ppm2 1.333
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
2.700 2.700 0.000 peak 8533 weight 0.10000E+01 volume 0.33820E+01 ppm1 0.762 ppm2 1.605
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1137 and name HB2 ))
)
5.000 5.000 0.000 peak 8532 weight 0.10000E+01 volume 0.14680E+01 ppm1 0.758 ppm2 1.806
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
5.000 5.000 0.000 peak 8530 weight 0.10000E+01 volume 0.85000E+00 ppm1 0.759 ppm2 2.453
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1161 and name HA ))
OR
(( segid " " and resid 1144 and name HA ))
OR
(( segid " " and resid 1143 and name HA ))
)
5.000 5.000 0.000 peak 8528 weight 0.10000E+01 volume 0.72800E+00 ppm1 0.756 ppm2 4.640
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1144 and name HG ))
)
3.300 3.300 0.000 peak 8522 weight 0.10000E+01 volume 0.20940E+01 ppm1 0.580 ppm2 1.338
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1148 and name HG2 ))
)
3.300 3.300 0.000 peak 8523 weight 0.10000E+01 volume 0.17300E+01 ppm1 0.581 ppm2 1.502
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
2.700 2.700 0.000 peak 8521 weight 0.10000E+01 volume 0.44140E+01 ppm1 0.580 ppm2 1.598
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1137 and name HB2 ))
)
3.300 3.300 0.000 peak 8520 weight 0.10000E+01 volume 0.28910E+01 ppm1 0.580 ppm2 1.817
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1148 and name HB1 ))
)
5.000 5.000 0.000 peak 8518 weight 0.10000E+01 volume 0.11510E+01 ppm1 0.578 ppm2 2.119
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
6.000 6.000 0.000 peak 8519 weight 0.10000E+01 volume 0.39700E+00 ppm1 0.580 ppm2 2.463
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1148 and name HA ))
)
3.300 3.300 0.000 peak 6888 weight 0.10000E+01 volume 0.21550E+01 ppm1 0.583 ppm2 3.975
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1162 and name HA ))
OR
(( segid " " and resid 1147 and name HA ))
OR
(( segid " " and resid 1137 and name HA ))
)
5.000 5.000 0.000 peak 8514 weight 0.10000E+01 volume 0.90200E+00 ppm1 0.581 ppm2 4.572
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1161 and name HA ))
OR
(( segid " " and resid 1145 and name HA ))
OR
(( segid " " and resid 1144 and name HA ))
OR
(( segid " " and resid 1143 and name HA ))
)
5.000 5.000 0.000 peak 8513 weight 0.10000E+01 volume 0.12330E+01 ppm1 0.580 ppm2 4.669
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1148 and name HN ))
)
5.000 5.000 0.000 peak 8517 weight 0.10000E+01 volume 0.61600E+00 ppm1 0.578 ppm2 8.149
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1146 and name HN ))
OR
(( segid " " and resid 1144 and name HN ))
)
5.000 5.000 0.000 peak 8516 weight 0.10000E+01 volume 0.77500E+00 ppm1 0.581 ppm2 8.562
ASSI (
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)(
(( segid " " and resid 1145 and name HN ))
)
5.000 5.000 0.000 peak 8515 weight 0.10000E+01 volume 0.52600E+00 ppm1 0.581 ppm2 9.416
ASSI (
(( segid " " and resid 1145 and name HA ))
)(
(( segid " " and resid 1145 and name HB2 ))
)
5.000 5.000 0.000 peak 8951 weight 0.10000E+01 volume -0.11550E+01 ppm1 4.699 ppm2 1.793
ASSI (
(( segid " " and resid 1145 and name HA ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)
5.000 5.000 0.000 peak 8948 weight 0.10000E+01 volume -0.11560E+01 ppm1 4.703 ppm2 2.260
ASSI (
(( segid " " and resid 1145 and name HB2 ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)
5.000 5.000 0.000 peak 9415 weight 0.10000E+01 volume 0.15050E+01 ppm1 1.793 ppm2 2.261
ASSI (
(( segid " " and resid 1145 and name HB1 ))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
OR
(( segid " " and resid 1144 and name HG ))
)
5.000 5.000 0.000 peak 8954 weight 0.10000E+01 volume 0.42000E+00 ppm1 1.960 ppm2 1.375
ASSI (
(( segid " " and resid 1145 and name HB1 ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)
3.300 3.300 0.000 peak 9414 weight 0.10000E+01 volume 0.18390E+01 ppm1 1.958 ppm2 2.255
ASSI (
(( segid " " and resid 1146 and name HA1 ))
)(
(( segid " " and resid 1146 and name HA2 ))
)
2.700 2.700 0.000 peak 8940 weight 0.10000E+01 volume 0.37640E+01 ppm1 4.449 ppm2 3.633
ASSI (
(( segid " " and resid 1146 and name HA1 ))
)(
(( segid " " and resid 1147 and name HN ))
)
5.000 5.000 0.000 peak 8947 weight 0.10000E+01 volume 0.15630E+01 ppm1 4.451 ppm2 8.360
ASSI (
(( segid " " and resid 1146 and name HA2 ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1145 and name HB2 ))
)
6.000 6.000 0.000 peak 8941 weight 0.10000E+01 volume 0.18400E+00 ppm1 3.628 ppm2 1.795
ASSI (
(( segid " " and resid 1146 and name HA2 ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)
6.000 6.000 0.000 peak 8942 weight 0.10000E+01 volume 0.23800E+00 ppm1 3.628 ppm2 2.263
ASSI (
(( segid " " and resid 1146 and name HA2 ))
)(
(( segid " " and resid 1147 and name HB2 ))
)
6.000 6.000 0.000 peak 8943 weight 0.10000E+01 volume 0.22000E+00 ppm1 3.628 ppm2 2.754
ASSI (
(( segid " " and resid 1146 and name HA2 ))
)(
(( segid " " and resid 1145 and name HA ))
)
5.000 5.000 0.000 peak 8939 weight 0.10000E+01 volume 0.55700E+00 ppm1 3.625 ppm2 4.686
ASSI (
(( segid " " and resid 1146 and name HA2 ))
)(
(( segid " " and resid 1147 and name HN ))
)
5.000 5.000 0.000 peak 8945 weight 0.10000E+01 volume 0.12410E+01 ppm1 3.628 ppm2 8.360
ASSI (
(( segid " " and resid 1147 and name HA ))
)(
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
5.000 5.000 0.000 peak 7043 weight 0.10000E+01 volume -0.52800E+00 ppm1 4.553 ppm2 1.566
ASSI (
(( segid " " and resid 1147 and name HA ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1135 and name HB1 ))
)
6.000 6.000 0.000 peak 7042 weight 0.10000E+01 volume -0.35100E+00 ppm1 4.555 ppm2 1.842
ASSI (
(( segid " " and resid 1147 and name HB1 ))
)(
(( segid " " and resid 1147 and name HB2 ))
)
2.700 2.700 0.000 peak 8925 weight 0.10000E+01 volume 0.67500E+01 ppm1 2.936 ppm2 2.750
ASSI (
(( segid " " and resid 1147 and name HB2 ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
6.000 6.000 0.000 peak 8926 weight 0.10000E+01 volume 0.34200E+00 ppm1 2.749 ppm2 0.755
ASSI (
(( segid " " and resid 1147 and name HB2 ))
)(
(( segid " " and resid 1147 and name HD21))
)
5.000 5.000 0.000 peak 8920 weight 0.10000E+01 volume 0.71500E+00 ppm1 2.753 ppm2 7.847
ASSI (
(( segid " " and resid 1147 and name HB2 ))
)(
(( segid " " and resid 1147 and name HN ))
)
3.300 3.300 0.000 peak 8917 weight 0.10000E+01 volume 0.24580E+01 ppm1 2.747 ppm2 8.355
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 6884 weight 0.10000E+01 volume -0.33000E+00 ppm1 3.966 ppm2 0.976
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1148 and name HB1 ))
)
3.300 3.300 0.000 peak 6889 weight 0.10000E+01 volume -0.19760E+01 ppm1 3.967 ppm2 2.104
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
5.000 5.000 0.000 peak 6890 weight 0.10000E+01 volume -0.43500E+00 ppm1 3.970 ppm2 2.454
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1149 and name HN ))
)
5.000 5.000 0.000 peak 8445 weight 0.10000E+01 volume -0.50600E+00 ppm1 3.969 ppm2 7.740
ASSI (
(( segid " " and resid 1148 and name HB1 ))
)(
(( segid " " and resid 1148 and name HG2 ))
)
5.000 5.000 0.000 peak 8911 weight 0.10000E+01 volume 0.79100E+00 ppm1 2.121 ppm2 1.485
ASSI (
(( segid " " and resid 1148 and name HB1 ))
)(
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
5.000 5.000 0.000 peak 8912 weight 0.10000E+01 volume 0.12320E+01 ppm1 2.121 ppm2 1.595
ASSI (
(( segid " " and resid 1148 and name HB1 ))
)(
(( segid " " and resid 1149 and name HN ))
)
6.000 6.000 0.000 peak 8909 weight 0.10000E+01 volume 0.27300E+00 ppm1 2.123 ppm2 7.719
ASSI (
(( segid " " and resid 1149 and name HA ))
)(
(( segid " " and resid 1136 and name HN ))
)
5.000 5.000 0.000 peak 6270 weight 0.10000E+01 volume -0.10950E+01 ppm1 5.393 ppm2 8.374
ASSI (
(( segid " " and resid 1150 and name HB ))
)(
(( segid " " and resid 1150 and name HA ))
)
5.000 5.000 0.000 peak 8853 weight 0.10000E+01 volume 0.81800E+00 ppm1 2.031 ppm2 4.641
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
3.300 3.300 0.000 peak 8736 weight 0.10000E+01 volume 0.26970E+01 ppm1 0.443 ppm2 0.101
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
)
2.700 2.700 0.000 peak 8734 weight 0.10000E+01 volume 0.42630E+01 ppm1 0.447 ppm2 0.771
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1150 and name HG11))
)
5.000 5.000 0.000 peak 8735 weight 0.10000E+01 volume 0.13300E+01 ppm1 0.444 ppm2 0.877
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1112 and name HB1 ))
)
5.000 5.000 0.000 peak 8733 weight 0.10000E+01 volume 0.66100E+00 ppm1 0.438 ppm2 1.306
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1149 and name HG2 ))
OR
(( segid " " and resid 1120 and name HG11))
)
5.000 5.000 0.000 peak 8732 weight 0.10000E+01 volume 0.12410E+01 ppm1 0.438 ppm2 1.409
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
5.000 5.000 0.000 peak 8731 weight 0.10000E+01 volume 0.75600E+00 ppm1 0.438 ppm2 1.554
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1135 and name HB2 ))
OR
(( segid " " and resid 1113 and name HB2 ))
)
5.000 5.000 0.000 peak 8730 weight 0.10000E+01 volume 0.58900E+00 ppm1 0.440 ppm2 1.764
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1135 and name HB1 ))
OR
(( segid " " and resid 1114 and name HB2 ))
OR
(( segid " " and resid 1113 and name HG2 ))
)
5.000 5.000 0.000 peak 8729 weight 0.10000E+01 volume 0.73800E+00 ppm1 0.444 ppm2 1.869
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1150 and name HB ))
)
5.000 5.000 0.000 peak 8728 weight 0.10000E+01 volume 0.10820E+01 ppm1 0.440 ppm2 2.030
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
6.000 6.000 0.000 peak 8727 weight 0.10000E+01 volume 0.37800E+00 ppm1 0.442 ppm2 3.153
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1159 and name HA ))
OR
(( segid " " and resid 1158 and name HB1 ))
OR
(( segid " " and resid 1134 and name HA ))
)
6.000 6.000 0.000 peak 8725 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.445 ppm2 4.381
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1150 and name HA ))
OR
(( segid " " and resid 1114 and name HA ))
OR
(( segid " " and resid 1113 and name HA ))
)
5.000 5.000 0.000 peak 8724 weight 0.10000E+01 volume 0.48900E+00 ppm1 0.446 ppm2 4.637
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1157 and name HA ))
OR
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
6.000 6.000 0.000 peak 6433 weight 0.10000E+01 volume 0.19200E+00 ppm1 0.452 ppm2 5.034
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
3.300 3.300 0.000 peak 8721 weight 0.10000E+01 volume 0.16820E+01 ppm1 0.439 ppm2 6.439
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 7704 weight 0.10000E+01 volume 0.37400E+00 ppm1 0.445 ppm2 6.599
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1149 and name HG2 ))
)
6.000 6.000 0.000 peak 8860 weight 0.10000E+01 volume 0.30200E+00 ppm1 0.755 ppm2 1.395
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1115 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 8861 weight 0.10000E+01 volume 0.35600E+00 ppm1 0.754 ppm2 1.555
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)
5.000 5.000 0.000 peak 8862 weight 0.10000E+01 volume 0.51100E+00 ppm1 0.758 ppm2 1.772
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
OR
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
6.000 6.000 0.000 peak 8863 weight 0.10000E+01 volume 0.39800E+00 ppm1 0.759 ppm2 2.458
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1147 and name HB1 ))
OR
(( segid " " and resid 1113 and name HD2 ))
OR
(( segid " " and resid 1113 and name HD1 ))
)
6.000 6.000 0.000 peak 8865 weight 0.10000E+01 volume 0.22200E+00 ppm1 0.758 ppm2 2.947
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1150 and name HA ))
)
5.000 5.000 0.000 peak 8866 weight 0.10000E+01 volume 0.15730E+01 ppm1 0.757 ppm2 4.640
ASSI (
(( segid " " and resid 1151 and name HA ))
)(
(( segid " " and resid 1152 and name HB1 ))
)
6.000 6.000 0.000 peak 6260 weight 0.10000E+01 volume -0.19800E+00 ppm1 5.439 ppm2 2.323
ASSI (
(( segid " " and resid 1151 and name HA ))
)(
(( segid " " and resid 1151 and name HB ))
OR
(( segid " " and resid 1133 and name HB2 ))
)
5.000 5.000 0.000 peak 6259 weight 0.10000E+01 volume -0.47100E+00 ppm1 5.437 ppm2 3.716
ASSI (
(( segid " " and resid 1151 and name HA ))
)(
(( segid " " and resid 1157 and name HH2 ))
)
6.000 6.000 0.000 peak 6257 weight 0.10000E+01 volume -0.34600E+00 ppm1 5.435 ppm2 6.741
ASSI (
(( segid " " and resid 1151 and name HB ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
2.700 2.700 0.000 peak 8464 weight 0.10000E+01 volume -0.39500E+01 ppm1 3.706 ppm2 1.059
ASSI (
(( segid " " and resid 1151 and name HB ))
)(
(( segid " " and resid 1153 and name HG2 ))
OR
(( segid " " and resid 1153 and name HG1 ))
OR
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
)
6.000 6.000 0.000 peak 8468 weight 0.10000E+01 volume -0.25400E+00 ppm1 3.702 ppm2 1.535
ASSI (
(( segid " " and resid 1151 and name HB ))
)(
(( segid " " and resid 1151 and name HN ))
)
5.000 5.000 0.000 peak 8465 weight 0.10000E+01 volume -0.10920E+01 ppm1 3.706 ppm2 8.437
ASSI (
(( segid " " and resid 1153 and name HA ))
)(
(( segid " " and resid 1153 and name HG2 ))
OR
(( segid " " and resid 1153 and name HG1 ))
)
5.000 5.000 0.000 peak 2964 weight 0.10000E+01 volume -0.10350E+01 ppm1 4.514 ppm2 1.499
ASSI (
(( segid " " and resid 1153 and name HA ))
)(
(( segid " " and resid 1153 and name HG1 ))
)
5.000 5.000 0.000 peak 2937 weight 0.10000E+01 volume -0.84700E+00 ppm1 4.516 ppm2 1.570
ASSI (
(( segid " " and resid 1153 and name HA ))
)(
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
OR
(( segid " " and resid 1152 and name HB1 ))
OR
(( segid " " and resid 1130 and name HB1 ))
)
6.000 6.000 0.000 peak 2855 weight 0.10000E+01 volume -0.24300E+00 ppm1 4.514 ppm2 2.296
ASSI (
(( segid " " and resid 1153 and name HA ))
)(
(( segid " " and resid 1153 and name HD2 ))
OR
(( segid " " and resid 1153 and name HD1 ))
)
6.000 6.000 0.000 peak 2849 weight 0.10000E+01 volume -0.33000E+00 ppm1 4.518 ppm2 3.163
ASSI (
(( segid " " and resid 1153 and name HA ))
)(
(( segid " " and resid 1152 and name HA ))
OR
(( segid " " and resid 1130 and name HA ))
)
6.000 6.000 0.000 peak 2796 weight 0.10000E+01 volume -0.38900E+00 ppm1 4.512 ppm2 3.951
ASSI (
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
5.000 5.000 0.000 peak 8837 weight 0.10000E+01 volume 0.62200E+00 ppm1 1.715 ppm2 1.060
ASSI (
(( segid " " and resid 1154 and name HA ))
)(
(( segid " " and resid 1156 and name HN ))
OR
(( segid " " and resid 1154 and name HD21))
OR
(( segid " " and resid 1108 and name HN ))
)
6.000 6.000 0.000 peak 6994 weight 0.10000E+01 volume -0.20300E+00 ppm1 4.268 ppm2 7.541
ASSI (
(( segid " " and resid 1154 and name HB1 ))
)(
(( segid " " and resid 1154 and name HB2 ))
)
2.700 2.700 0.000 peak 8397 weight 0.10000E+01 volume 0.10515E+02 ppm1 3.020 ppm2 2.699
ASSI (
(( segid " " and resid 1154 and name HB1 ))
)(
(( segid " " and resid 1156 and name HN ))
OR
(( segid " " and resid 1154 and name HD21))
)
5.000 5.000 0.000 peak 8398 weight 0.10000E+01 volume 0.42000E+00 ppm1 3.020 ppm2 7.557
ASSI (
(( segid " " and resid 1154 and name HB2 ))
)(
(( segid " " and resid 1154 and name HD22))
)
5.000 5.000 0.000 peak 8435 weight 0.10000E+01 volume 0.64000E+00 ppm1 2.695 ppm2 6.800
ASSI (
(( segid " " and resid 1154 and name HB2 ))
)(
(( segid " " and resid 1156 and name HN ))
OR
(( segid " " and resid 1154 and name HD21))
)
5.000 5.000 0.000 peak 8457 weight 0.10000E+01 volume 0.11230E+01 ppm1 2.697 ppm2 7.557
ASSI (
(( segid " " and resid 1155 and name HA2 ))
)(
(( segid " " and resid 1157 and name HB1 ))
OR
(( segid " " and resid 1107 and name HA2 ))
)
6.000 6.000 0.000 peak 6989 weight 0.10000E+01 volume -0.36100E+00 ppm1 3.308 ppm2 3.485
ASSI (
(( segid " " and resid 1156 and name HA ))
)(
(( segid " " and resid 1156 and name HB2 ))
)
5.000 5.000 0.000 peak 7041 weight 0.10000E+01 volume -0.90000E+00 ppm1 4.601 ppm2 1.842
ASSI (
(( segid " " and resid 1156 and name HA ))
)(
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
)
5.000 5.000 0.000 peak 7039 weight 0.10000E+01 volume -0.12360E+01 ppm1 4.602 ppm2 2.338
ASSI (
(( segid " " and resid 1156 and name HA ))
)(
(( segid " " and resid 1157 and name HN ))
)
2.700 2.700 0.000 peak 7052 weight 0.10000E+01 volume -0.41500E+01 ppm1 4.603 ppm2 8.555
ASSI (
(( segid " " and resid 1156 and name HB1 ))
)(
(( segid " " and resid 1156 and name HB2 ))
)
2.700 2.700 0.000 peak 8740 weight 0.10000E+01 volume 0.52010E+01 ppm1 2.094 ppm2 1.848
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1152 and name HB2 ))
)
6.000 6.000 0.000 peak 6426 weight 0.10000E+01 volume -0.23300E+00 ppm1 5.034 ppm2 0.942
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1159 and name HB1 ))
OR
(( segid " " and resid 1150 and name HB ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 6425 weight 0.10000E+01 volume -0.22200E+00 ppm1 5.033 ppm2 2.031
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1157 and name HB2 ))
)
5.000 5.000 0.000 peak 6424 weight 0.10000E+01 volume -0.75600E+00 ppm1 5.033 ppm2 2.959
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1158 and name HA ))
OR
(( segid " " and resid 1153 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
6.000 6.000 0.000 peak 6421 weight 0.10000E+01 volume -0.35300E+00 ppm1 5.033 ppm2 4.494
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1156 and name HA ))
OR
(( segid " " and resid 1150 and name HA ))
)
6.000 6.000 0.000 peak 6420 weight 0.10000E+01 volume -0.33200E+00 ppm1 5.032 ppm2 4.631
ASSI (
(( segid " " and resid 1157 and name HB1 ))
)(
(( segid " " and resid 1157 and name HB2 ))
)
3.300 3.300 0.000 peak 8713 weight 0.10000E+01 volume 0.18600E+01 ppm1 3.483 ppm2 2.964
ASSI (
(( segid " " and resid 1157 and name HD1 ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1113 and name HD2 ))
OR
(( segid " " and resid 1113 and name HD1 ))
)
5.000 5.000 0.000 peak 7617 weight 0.10000E+01 volume -0.64900E+00 ppm1 7.128 ppm2 2.957
ASSI (
(( segid " " and resid 1157 and name HD1 ))
)(
(( segid " " and resid 1153 and name HD2 ))
OR
(( segid " " and resid 1153 and name HD1 ))
)
6.000 6.000 0.000 peak 7618 weight 0.10000E+01 volume -0.31800E+00 ppm1 7.128 ppm2 3.142
ASSI (
(( segid " " and resid 1157 and name HD1 ))
)(
(( segid " " and resid 1157 and name HB1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
OR
(( segid " " and resid 1112 and name HD1 ))
)
6.000 6.000 0.000 peak 7620 weight 0.10000E+01 volume -0.24100E+00 ppm1 7.127 ppm2 3.504
ASSI (
(( segid " " and resid 1157 and name HD1 ))
)(
(( segid " " and resid 1156 and name HA ))
OR
(( segid " " and resid 1113 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
6.000 6.000 0.000 peak 7621 weight 0.10000E+01 volume -0.22800E+00 ppm1 7.125 ppm2 4.578
ASSI (
(( segid " " and resid 1157 and name HZ2 ))
)(
(( segid " " and resid 1157 and name HD1 ))
OR
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
5.000 5.000 0.000 peak 2347 weight 0.10000E+01 volume 0.44900E+00 ppm1 6.542 ppm2 7.125
ASSI (
(( segid " " and resid 1158 and name HA ))
)(
(( segid " " and resid 1159 and name HB2 ))
OR
(( segid " " and resid 1159 and name HB1 ))
OR
(( segid " " and resid 1150 and name HB ))
)
5.000 5.000 0.000 peak 2474 weight 0.10000E+01 volume -0.49300E+00 ppm1 4.485 ppm2 2.000
ASSI (
(( segid " " and resid 1158 and name HA ))
)(
(( segid " " and resid 1158 and name HN ))
)
5.000 5.000 0.000 peak 6977 weight 0.10000E+01 volume -0.62600E+00 ppm1 4.484 ppm2 8.170
ASSI (
(( segid " " and resid 1158 and name HA ))
)(
(( segid " " and resid 1158 and name HB2 ))
)
3.300 3.300 0.000 peak 6978 weight 0.10000E+01 volume -0.21580E+01 ppm1 4.484 ppm2 4.192
ASSI (
(( segid " " and resid 1158 and name HB1 ))
)(
(( segid " " and resid 1158 and name HA ))
)
5.000 5.000 0.000 peak 7173 weight 0.10000E+01 volume -0.15300E+01 ppm1 4.384 ppm2 4.482
ASSI (
(( segid " " and resid 1158 and name HB2 ))
)(
(( segid " " and resid 1159 and name HB1 ))
OR
(( segid " " and resid 1150 and name HB ))
)
6.000 6.000 0.000 peak 7176 weight 0.10000E+01 volume -0.32000E+00 ppm1 4.190 ppm2 2.040
ASSI (
(( segid " " and resid 1158 and name HB2 ))
)(
(( segid " " and resid 1158 and name HB1 ))
)
2.700 2.700 0.000 peak 7064 weight 0.10000E+01 volume -0.36700E+01 ppm1 4.190 ppm2 4.385
ASSI (
(( segid " " and resid 1159 and name HA ))
)(
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)
5.000 5.000 0.000 peak 7645 weight 0.10000E+01 volume -0.10280E+01 ppm1 4.398 ppm2 2.406
ASSI (
(( segid " " and resid 1159 and name HB1 ))
)(
(( segid " " and resid 1160 and name HD2 ))
)
6.000 6.000 0.000 peak 8707 weight 0.10000E+01 volume 0.16800E+00 ppm1 2.028 ppm2 3.698
ASSI (
(( segid " " and resid 1159 and name HB2 ))
)(
(( segid " " and resid 1160 and name HD2 ))
)
6.000 6.000 0.000 peak 8706 weight 0.10000E+01 volume 0.22000E+00 ppm1 1.953 ppm2 3.698
ASSI (
(( segid " " and resid 1160 and name HA ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
5.000 5.000 0.000 peak 8886 weight 0.10000E+01 volume -0.53200E+00 ppm1 4.374 ppm2 0.438
ASSI (
(( segid " " and resid 1160 and name HA ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)
3.300 3.300 0.000 peak 8887 weight 0.10000E+01 volume -0.21630E+01 ppm1 4.375 ppm2 0.763
ASSI (
(( segid " " and resid 1160 and name HA ))
)(
(( segid " " and resid 1162 and name HB2 ))
OR
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1115 and name HB ))
)
5.000 5.000 0.000 peak 8889 weight 0.10000E+01 volume -0.83900E+00 ppm1 4.374 ppm2 1.548
ASSI (
(( segid " " and resid 1160 and name HA ))
)(
(( segid " " and resid 1160 and name HG2 ))
)
5.000 5.000 0.000 peak 8891 weight 0.10000E+01 volume -0.10120E+01 ppm1 4.374 ppm2 1.753
ASSI (
(( segid " " and resid 1160 and name HA ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)
5.000 5.000 0.000 peak 8890 weight 0.10000E+01 volume -0.13440E+01 ppm1 4.374 ppm2 1.801
ASSI (
(( segid " " and resid 1160 and name HA ))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)
5.000 5.000 0.000 peak 8884 weight 0.10000E+01 volume -0.12860E+01 ppm1 4.375 ppm2 2.463
ASSI (
(( segid " " and resid 1160 and name HA ))
)(
(( segid " " and resid 1161 and name HD1 ))
)
5.000 5.000 0.000 peak 8883 weight 0.10000E+01 volume -0.12580E+01 ppm1 4.379 ppm2 3.381
ASSI (
(( segid " " and resid 1160 and name HD2 ))
)(
(( segid " " and resid 1162 and name HB2 ))
OR
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1115 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 7665 weight 0.10000E+01 volume -0.31100E+00 ppm1 3.686 ppm2 1.561
ASSI (
(( segid " " and resid 1160 and name HD2 ))
)(
(( segid " " and resid 1160 and name HG2 ))
)
5.000 5.000 0.000 peak 7664 weight 0.10000E+01 volume -0.10690E+01 ppm1 3.681 ppm2 1.750
ASSI (
(( segid " " and resid 1160 and name HD2 ))
)(
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1114 and name HB2 ))
)
5.000 5.000 0.000 peak 7663 weight 0.10000E+01 volume -0.88600E+00 ppm1 3.678 ppm2 1.859
ASSI (
(( segid " " and resid 1160 and name HD2 ))
)(
(( segid " " and resid 1160 and name HD1 ))
)
2.700 2.700 0.000 peak 7656 weight 0.10000E+01 volume -0.32490E+01 ppm1 3.684 ppm2 3.987
ASSI (
(( segid " " and resid 1160 and name HG1 ))
)(
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1159 and name HA ))
)
5.000 5.000 0.000 peak 8540 weight 0.10000E+01 volume 0.65600E+00 ppm1 1.848 ppm2 4.389
ASSI (
(( segid " " and resid 1160 and name HG2 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
5.000 5.000 0.000 peak 8536 weight 0.10000E+01 volume 0.59200E+00 ppm1 1.747 ppm2 0.440
ASSI (
(( segid " " and resid 1160 and name HG2 ))
)(
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1159 and name HA ))
)
5.000 5.000 0.000 peak 8539 weight 0.10000E+01 volume 0.47000E+00 ppm1 1.744 ppm2 4.384
ASSI (
(( segid " " and resid 1161 and name HD1 ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 8874 weight 0.10000E+01 volume -0.49000E+00 ppm1 3.380 ppm2 0.764
ASSI (
(( segid " " and resid 1161 and name HD1 ))
)(
(( segid " " and resid 1162 and name HB2 ))
OR
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
5.000 5.000 0.000 peak 8877 weight 0.10000E+01 volume -0.47600E+00 ppm1 3.379 ppm2 1.575
ASSI (
(( segid " " and resid 1161 and name HD1 ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)
5.000 5.000 0.000 peak 8876 weight 0.10000E+01 volume -0.55000E+00 ppm1 3.379 ppm2 1.803
ASSI (
(( segid " " and resid 1161 and name HD1 ))
)(
(( segid " " and resid 1161 and name HD2 ))
)
5.000 5.000 0.000 peak 8873 weight 0.10000E+01 volume -0.10920E+01 ppm1 3.382 ppm2 2.465
ASSI (
(( segid " " and resid 1161 and name HD2 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
6.000 6.000 0.000 peak 8882 weight 0.10000E+01 volume -0.29300E+00 ppm1 2.462 ppm2 0.433
ASSI (
(( segid " " and resid 1161 and name HD2 ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
6.000 6.000 0.000 peak 8881 weight 0.10000E+01 volume -0.36700E+00 ppm1 2.464 ppm2 0.766
ASSI (
(( segid " " and resid 1161 and name HD2 ))
)(
(( segid " " and resid 1162 and name HB2 ))
OR
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
5.000 5.000 0.000 peak 8879 weight 0.10000E+01 volume -0.57600E+00 ppm1 2.462 ppm2 1.554
ASSI (
(( segid " " and resid 1161 and name HD2 ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)
5.000 5.000 0.000 peak 8878 weight 0.10000E+01 volume -0.50600E+00 ppm1 2.462 ppm2 1.793
ASSI (
(( segid " " and resid 1161 and name HD2 ))
)(
(( segid " " and resid 1160 and name HA ))
)
5.000 5.000 0.000 peak 8872 weight 0.10000E+01 volume -0.65100E+00 ppm1 2.462 ppm2 4.383
ASSI (
(( segid " " and resid 1162 and name HA ))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)
5.000 5.000 0.000 peak 6964 weight 0.10000E+01 volume -0.13070E+01 ppm1 4.524 ppm2 1.372
ASSI (
(( segid " " and resid 1162 and name HA ))
)(
(( segid " " and resid 1162 and name HD2 ))
OR
(( segid " " and resid 1162 and name HD1 ))
OR
(( segid " " and resid 1162 and name HB2 ))
OR
(( segid " " and resid 1161 and name HB2 ))
)
5.000 5.000 0.000 peak 6963 weight 0.10000E+01 volume -0.14430E+01 ppm1 4.524 ppm2 1.549
ASSI (
(( segid " " and resid 1162 and name HA ))
)(
(( segid " " and resid 1162 and name HB1 ))
)
3.300 3.300 0.000 peak 6970 weight 0.10000E+01 volume -0.18220E+01 ppm1 4.523 ppm2 1.679
ASSI (
(( segid " " and resid 1162 and name HB1 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 8687 weight 0.10000E+01 volume 0.93200E+00 ppm1 1.698 ppm2 0.661
ASSI (
(( segid " " and resid 1162 and name HB1 ))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)
3.300 3.300 0.000 peak 8689 weight 0.10000E+01 volume 0.16420E+01 ppm1 1.696 ppm2 1.370
ASSI (
(( segid " " and resid 1162 and name HB1 ))
)(
(( segid " " and resid 1162 and name HD2 ))
OR
(( segid " " and resid 1162 and name HD1 ))
OR
(( segid " " and resid 1162 and name HB2 ))
)
2.700 2.700 0.000 peak 8690 weight 0.10000E+01 volume 0.31070E+01 ppm1 1.697 ppm2 1.548
ASSI (
(( segid " " and resid 1162 and name HB2 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
OR
(( segid " " and resid 1115 and name HG12))
)
5.000 5.000 0.000 peak 8686 weight 0.10000E+01 volume 0.67400E+00 ppm1 1.549 ppm2 0.662
ASSI (
(( segid " " and resid 1162 and name HB2 ))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)
3.300 3.300 0.000 peak 8688 weight 0.10000E+01 volume 0.26860E+01 ppm1 1.548 ppm2 1.370
ASSI (
(( segid " " and resid 1162 and name HB2 ))
)(
(( segid " " and resid 1162 and name HB1 ))
)
2.700 2.700 0.000 peak 8685 weight 0.10000E+01 volume 0.35390E+01 ppm1 1.548 ppm2 1.691
ASSI (
(( segid " " and resid 1162 and name HB2 ))
)(
(( segid " " and resid 1162 and name HA ))
)
5.000 5.000 0.000 peak 8692 weight 0.10000E+01 volume 0.73200E+00 ppm1 1.550 ppm2 4.528
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
OR
(( segid " " and resid 1115 and name HG12))
)
5.000 5.000 0.000 peak 6381 weight 0.10000E+01 volume -0.55400E+00 ppm1 5.065 ppm2 0.651
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1162 and name HB1 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
5.000 5.000 0.000 peak 6380 weight 0.10000E+01 volume -0.82000E+00 ppm1 5.063 ppm2 1.649
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
5.000 5.000 0.000 peak 6439 weight 0.10000E+01 volume -0.91400E+00 ppm1 5.063 ppm2 2.535
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1163 and name HB1 ))
)
5.000 5.000 0.000 peak 6379 weight 0.10000E+01 volume -0.42800E+00 ppm1 5.064 ppm2 2.812
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
)
6.000 6.000 0.000 peak 6383 weight 0.10000E+01 volume -0.19000E+00 ppm1 5.071 ppm2 4.359
ASSI (
(( segid " " and resid 1163 and name HB1 ))
)(
(( segid " " and resid 1163 and name HB2 ))
)
5.000 5.000 0.000 peak 7593 weight 0.10000E+01 volume 0.12280E+01 ppm1 2.812 ppm2 2.523
ASSI (
(( segid " " and resid 1164 and name HB1 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 8642 weight 0.10000E+01 volume 0.76400E+00 ppm1 1.635 ppm2 0.657
ASSI (
(( segid " " and resid 1164 and name HB2 ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 8679 weight 0.10000E+01 volume 0.25400E+00 ppm1 1.131 ppm2 0.424
ASSI (
(( segid " " and resid 1164 and name HB2 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 8678 weight 0.10000E+01 volume 0.91200E+00 ppm1 1.135 ppm2 0.652
ASSI (
(( segid " " and resid 1164 and name HB2 ))
)(
(( segid " " and resid 1164 and name HB1 ))
)
5.000 5.000 0.000 peak 8677 weight 0.10000E+01 volume 0.68600E+00 ppm1 1.135 ppm2 1.642
ASSI (
(( segid " " and resid 1164 and name HG ))
)(
(( segid " " and resid 1164 and name HB2 ))
)
5.000 5.000 0.000 peak 9301 weight 0.10000E+01 volume 0.62500E+00 ppm1 0.633 ppm2 1.156
ASSI (
(( segid " " and resid 1164 and name HG ))
)(
(( segid " " and resid 1164 and name HB1 ))
)
3.300 3.300 0.000 peak 8656 weight 0.10000E+01 volume 0.19460E+01 ppm1 0.635 ppm2 1.652
ASSI (
(( segid " " and resid 1164 and name HG ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1145 and name HA ))
OR
(( segid " " and resid 1144 and name HA ))
OR
(( segid " " and resid 1143 and name HA ))
)
6.000 6.000 0.000 peak 8660 weight 0.10000E+01 volume 0.17500E+00 ppm1 0.635 ppm2 4.654
ASSI (
(( segid " " and resid 1165 and name HA ))
)(
(( segid " " and resid 1141 and name HB1 ))
OR
(( segid " " and resid 1117 and name HB1 ))
)
6.000 6.000 0.000 peak 9573 weight 0.10000E+01 volume -0.36300E+00 ppm1 4.026 ppm2 2.100
ASSI (
(( segid " " and resid 1166 and name HA ))
)(
(( segid " " and resid 1192 and name HB2 ))
OR
(( segid " " and resid 1166 and name HG1 ))
)
6.000 6.000 0.000 peak 6524 weight 0.10000E+01 volume -0.29600E+00 ppm1 4.844 ppm2 1.478
ASSI (
(( segid " " and resid 1166 and name HA ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
6.000 6.000 0.000 peak 6525 weight 0.10000E+01 volume -0.32800E+00 ppm1 4.849 ppm2 1.640
ASSI (
(( segid " " and resid 1166 and name HA ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
5.000 5.000 0.000 peak 6520 weight 0.10000E+01 volume -0.91400E+00 ppm1 4.844 ppm2 4.639
ASSI (
(( segid " " and resid 1167 and name HB1 ))
)(
(( segid " " and resid 1167 and name HA ))
)
5.000 5.000 0.000 peak 8623 weight 0.10000E+01 volume 0.90800E+00 ppm1 2.791 ppm2 4.798
ASSI (
(( segid " " and resid 1167 and name HB2 ))
)(
(( segid " " and resid 1167 and name HA ))
)
5.000 5.000 0.000 peak 8624 weight 0.10000E+01 volume 0.10380E+01 ppm1 2.708 ppm2 4.800
ASSI (
(( segid " " and resid 1168 and name HA ))
)(
(( segid " " and resid 1189 and name HB1 ))
OR
(( segid " " and resid 1169 and name HB ))
)
5.000 5.000 0.000 peak 6945 weight 0.10000E+01 volume -0.63100E+00 ppm1 4.205 ppm2 1.720
ASSI (
(( segid " " and resid 1168 and name HA ))
)(
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
6.000 6.000 0.000 peak 6943 weight 0.10000E+01 volume -0.38700E+00 ppm1 4.207 ppm2 2.798
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1169 and name HB ))
)
5.000 5.000 0.000 peak 6928 weight 0.10000E+01 volume -0.43700E+00 ppm1 4.161 ppm2 1.702
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1221 and name HA2 ))
OR
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 6927 weight 0.10000E+01 volume -0.22100E+00 ppm1 4.161 ppm2 3.725
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1169 and name HN ))
)
5.000 5.000 0.000 peak 3128 weight 0.10000E+01 volume -0.47900E+00 ppm1 4.167 ppm2 8.240
ASSI (
(( segid " " and resid 1169 and name HB ))
)(
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 8594 weight 0.10000E+01 volume 0.60600E+00 ppm1 1.703 ppm2 0.735
ASSI (
(( segid " " and resid 1169 and name HB ))
)(
(( segid " " and resid 1169 and name HG12))
)
5.000 5.000 0.000 peak 8595 weight 0.10000E+01 volume 0.41400E+00 ppm1 1.702 ppm2 0.942
ASSI (
(( segid " " and resid 1169 and name HB ))
)(
(( segid " " and resid 1169 and name HA ))
OR
(( segid " " and resid 1168 and name HA ))
)
6.000 6.000 0.000 peak 6935 weight 0.10000E+01 volume 0.31900E+00 ppm1 1.699 ppm2 4.185
ASSI (
(( segid " " and resid 1169 and name HB ))
)(
(( segid " " and resid 1189 and name HA ))
OR
(( segid " " and resid 1181 and name HA ))
)
6.000 6.000 0.000 peak 8596 weight 0.10000E+01 volume 0.31200E+00 ppm1 1.699 ppm2 4.341
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1223 and name HB1 ))
)
6.000 6.000 0.000 peak 8589 weight 0.10000E+01 volume 0.37800E+00 ppm1 0.701 ppm2 1.199
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1197 and name HB ))
OR
(( segid " " and resid 1189 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
)
5.000 5.000 0.000 peak 8586 weight 0.10000E+01 volume 0.60000E+00 ppm1 0.702 ppm2 1.571
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1169 and name HA ))
)
6.000 6.000 0.000 peak 8582 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.703 ppm2 4.171
ASSI (
(( segid " " and resid 1169 and name HG11))
)(
(( segid " " and resid 1169 and name HG12))
)
2.700 2.700 0.000 peak 8615 weight 0.10000E+01 volume 0.31660E+01 ppm1 1.370 ppm2 0.943
ASSI (
(( segid " " and resid 1169 and name HG12))
)(
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 8616 weight 0.10000E+01 volume 0.12330E+01 ppm1 0.948 ppm2 0.707
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1189 and name HB2 ))
)
5.000 5.000 0.000 peak 8604 weight 0.10000E+01 volume 0.11900E+01 ppm1 1.028 ppm2 1.567
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1187 and name HG2 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
6.000 6.000 0.000 peak 8612 weight 0.10000E+01 volume 0.20200E+00 ppm1 1.027 ppm2 2.241
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1174 and name HG1 ))
)
6.000 6.000 0.000 peak 8611 weight 0.10000E+01 volume 0.26000E+00 ppm1 1.027 ppm2 2.856
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
OR
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
5.000 5.000 0.000 peak 8606 weight 0.10000E+01 volume 0.63300E+00 ppm1 1.028 ppm2 6.708
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
OR
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
5.000 5.000 0.000 peak 4325 weight 0.10000E+01 volume 0.74400E+00 ppm1 1.028 ppm2 6.749
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
5.000 5.000 0.000 peak 8607 weight 0.10000E+01 volume 0.50500E+00 ppm1 1.028 ppm2 6.796
ASSI (
(( segid " " and resid 1170 and name HB1 ))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 8561 weight 0.10000E+01 volume -0.66500E+00 ppm1 3.947 ppm2 0.667
ASSI (
(( segid " " and resid 1170 and name HB1 ))
)(
(( segid " " and resid 1170 and name HN ))
)
5.000 5.000 0.000 peak 5249 weight 0.10000E+01 volume -0.41400E+00 ppm1 3.949 ppm2 7.928
ASSI (
(( segid " " and resid 1170 and name HB2 ))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 8562 weight 0.10000E+01 volume -0.61400E+00 ppm1 3.723 ppm2 0.667
ASSI (
(( segid " " and resid 1170 and name HB2 ))
)(
(( segid " " and resid 1170 and name HN ))
)
5.000 5.000 0.000 peak 6934 weight 0.10000E+01 volume -0.68200E+00 ppm1 3.727 ppm2 7.930
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
3.300 3.300 0.000 peak 6924 weight 0.10000E+01 volume -0.29770E+01 ppm1 4.093 ppm2 1.852
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1175 and name HB1 ))
)
3.300 3.300 0.000 peak 3496 weight 0.10000E+01 volume -0.19450E+01 ppm1 4.091 ppm2 2.095
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1173 and name HA ))
OR
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
)
5.000 5.000 0.000 peak 2758 weight 0.10000E+01 volume -0.50300E+00 ppm1 4.092 ppm2 3.239
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1172 and name HN ))
)
6.000 6.000 0.000 peak 6920 weight 0.10000E+01 volume -0.36000E+00 ppm1 4.094 ppm2 8.356
ASSI (
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)(
(( segid " " and resid 1170 and name HA ))
)
6.000 6.000 0.000 peak 8118 weight 0.10000E+01 volume 0.38400E+00 ppm1 1.857 ppm2 4.655
ASSI (
(( segid " " and resid 1171 and name HG1 ))
)(
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
)
5.000 5.000 0.000 peak 9395 weight 0.10000E+01 volume 0.11260E+01 ppm1 1.784 ppm2 3.227
ASSI (
(( segid " " and resid 1171 and name HG1 ))
)(
(( segid " " and resid 1171 and name HA ))
)
6.000 6.000 0.000 peak 8576 weight 0.10000E+01 volume 0.28700E+00 ppm1 1.789 ppm2 4.100
ASSI (
(( segid " " and resid 1171 and name HG2 ))
)(
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
)
5.000 5.000 0.000 peak 9398 weight 0.10000E+01 volume 0.11600E+01 ppm1 1.677 ppm2 3.230
ASSI (
(( segid " " and resid 1171 and name HG2 ))
)(
(( segid " " and resid 1187 and name HA ))
OR
(( segid " " and resid 1171 and name HA ))
)
5.000 5.000 0.000 peak 8569 weight 0.10000E+01 volume 0.40900E+00 ppm1 1.676 ppm2 4.103
ASSI (
(( segid " " and resid 1172 and name HA ))
)(
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
OR
(( segid " " and resid 1174 and name HG2 ))
)
5.000 5.000 0.000 peak 6916 weight 0.10000E+01 volume -0.90000E+00 ppm1 3.899 ppm2 2.048
ASSI (
(( segid " " and resid 1172 and name HA ))
)(
(( segid " " and resid 1175 and name HN ))
)
6.000 6.000 0.000 peak 6914 weight 0.10000E+01 volume -0.28600E+00 ppm1 3.904 ppm2 7.807
ASSI (
(( segid " " and resid 1172 and name HA ))
)(
(( segid " " and resid 1172 and name HN ))
)
5.000 5.000 0.000 peak 6913 weight 0.10000E+01 volume -0.10810E+01 ppm1 3.903 ppm2 8.367
ASSI (
(( segid " " and resid 1172 and name HB1 ))
)(
(( segid " " and resid 1172 and name HN ))
)
3.300 3.300 0.000 peak 8575 weight 0.10000E+01 volume 0.18010E+01 ppm1 1.904 ppm2 8.360
ASSI (
(( segid " " and resid 1172 and name HB2 ))
)(
(( segid " " and resid 1172 and name HN ))
)
5.000 5.000 0.000 peak 8574 weight 0.10000E+01 volume 0.11170E+01 ppm1 1.792 ppm2 8.357
ASSI (
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)(
(( segid " " and resid 1172 and name HN ))
)
5.000 5.000 0.000 peak 8568 weight 0.10000E+01 volume 0.70300E+00 ppm1 2.211 ppm2 8.357
ASSI (
(( segid " " and resid 1173 and name HB ))
)(
(( segid " " and resid 1173 and name HG11))
)
5.000 5.000 0.000 peak 8556 weight 0.10000E+01 volume 0.53200E+00 ppm1 1.129 ppm2 1.328
ASSI (
(( segid " " and resid 1173 and name HB ))
)(
(( segid " " and resid 1170 and name HB2 ))
)
5.000 5.000 0.000 peak 8557 weight 0.10000E+01 volume 0.58200E+00 ppm1 1.135 ppm2 3.725
ASSI (
(( segid " " and resid 1173 and name HB ))
)(
(( segid " " and resid 1170 and name HB1 ))
)
5.000 5.000 0.000 peak 8564 weight 0.10000E+01 volume 0.45300E+00 ppm1 1.144 ppm2 3.941
ASSI (
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)(
(( segid " " and resid 1173 and name HB ))
)
5.000 5.000 0.000 peak 7750 weight 0.10000E+01 volume 0.76800E+00 ppm1 0.658 ppm2 1.135
ASSI (
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)(
(( segid " " and resid 1173 and name HG11))
)
3.300 3.300 0.000 peak 7751 weight 0.10000E+01 volume 0.19420E+01 ppm1 0.659 ppm2 1.328
ASSI (
(( segid " " and resid 1173 and name HG12))
)(
(( segid " " and resid 1173 and name HB ))
)
6.000 6.000 0.000 peak 7755 weight 0.10000E+01 volume 0.28300E+00 ppm1 0.734 ppm2 1.143
ASSI (
(( segid " " and resid 1173 and name HG12))
)(
(( segid " " and resid 1173 and name HG11))
)
5.000 5.000 0.000 peak 7754 weight 0.10000E+01 volume 0.14120E+01 ppm1 0.745 ppm2 1.324
ASSI (
(( segid " " and resid 1173 and name HG12))
)(
(( segid " " and resid 1173 and name HN ))
)
6.000 6.000 0.000 peak 7756 weight 0.10000E+01 volume 0.33700E+00 ppm1 0.743 ppm2 7.371
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
)
6.000 6.000 0.000 peak 7745 weight 0.10000E+01 volume 0.25600E+00 ppm1 -0.390 ppm2 2.510
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1176 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
6.000 6.000 0.000 peak 7746 weight 0.10000E+01 volume 0.34600E+00 ppm1 -0.389 ppm2 2.612
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1177 and name HB1 ))
OR
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 7748 weight 0.10000E+01 volume 0.25400E+00 ppm1 -0.383 ppm2 3.722
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
OR
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)
5.000 5.000 0.000 peak 3030 weight 0.10000E+01 volume 0.12150E+01 ppm1 -0.393 ppm2 6.789
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1173 and name HN ))
)
5.000 5.000 0.000 peak 7738 weight 0.10000E+01 volume 0.45800E+00 ppm1 -0.391 ppm2 7.392
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 6895 weight 0.10000E+01 volume -0.10380E+01 ppm1 3.498 ppm2 1.030
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1179 and name HG11))
)
5.000 5.000 0.000 peak 6896 weight 0.10000E+01 volume -0.85600E+00 ppm1 3.498 ppm2 1.139
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
5.000 5.000 0.000 peak 6893 weight 0.10000E+01 volume -0.12790E+01 ppm1 3.500 ppm2 2.227
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
6.000 6.000 0.000 peak 6892 weight 0.10000E+01 volume -0.27900E+00 ppm1 3.504 ppm2 2.683
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1177 and name HB1 ))
OR
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 3423 weight 0.10000E+01 volume -0.29900E+00 ppm1 3.502 ppm2 3.710
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1179 and name HN ))
OR
(( segid " " and resid 1177 and name HN ))
)
5.000 5.000 0.000 peak 3355 weight 0.10000E+01 volume -0.80200E+00 ppm1 3.496 ppm2 7.882
ASSI (
(( segid " " and resid 1174 and name HG1 ))
)(
(( segid " " and resid 1174 and name HG2 ))
)
5.000 5.000 0.000 peak 8548 weight 0.10000E+01 volume 0.10210E+01 ppm1 2.858 ppm2 2.006
ASSI (
(( segid " " and resid 1174 and name HG1 ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
5.000 5.000 0.000 peak 8549 weight 0.10000E+01 volume 0.51400E+00 ppm1 2.858 ppm2 2.094
ASSI (
(( segid " " and resid 1174 and name HG1 ))
)(
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
5.000 5.000 0.000 peak 8547 weight 0.10000E+01 volume 0.76800E+00 ppm1 2.858 ppm2 2.233
ASSI (
(( segid " " and resid 1174 and name HG1 ))
)(
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
6.000 6.000 0.000 peak 8550 weight 0.10000E+01 volume 0.20300E+00 ppm1 2.858 ppm2 7.164
ASSI (
(( segid " " and resid 1174 and name HG2 ))
)(
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
6.000 6.000 0.000 peak 8552 weight 0.10000E+01 volume 0.19100E+00 ppm1 2.006 ppm2 7.165
ASSI (
(( segid " " and resid 1175 and name HA ))
)(
(( segid " " and resid 1226 and name HD2 ))
OR
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
OR
(( segid " " and resid 1174 and name HG1 ))
)
6.000 6.000 0.000 peak 6880 weight 0.10000E+01 volume -0.24500E+00 ppm1 3.969 ppm2 2.843
ASSI (
(( segid " " and resid 1175 and name HG2 ))
)(
(( segid " " and resid 1175 and name HN ))
)
5.000 5.000 0.000 peak 9397 weight 0.10000E+01 volume 0.88100E+00 ppm1 2.291 ppm2 7.813
ASSI (
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1175 and name HG2 ))
OR
(( segid " " and resid 1175 and name HG1 ))
)
5.000 5.000 0.000 peak 8493 weight 0.10000E+01 volume 0.42000E+00 ppm1 2.582 ppm2 2.321
ASSI (
(( segid " " and resid 1177 and name HA ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
5.000 5.000 0.000 peak 8451 weight 0.10000E+01 volume -0.87000E+00 ppm1 4.731 ppm2 0.647
ASSI (
(( segid " " and resid 1177 and name HA ))
)(
(( segid " " and resid 1177 and name HB2 ))
)
5.000 5.000 0.000 peak 8452 weight 0.10000E+01 volume -0.82600E+00 ppm1 4.733 ppm2 2.684
ASSI (
(( segid " " and resid 1177 and name HA ))
)(
(( segid " " and resid 1177 and name HB1 ))
)
5.000 5.000 0.000 peak 8455 weight 0.10000E+01 volume -0.13270E+01 ppm1 4.734 ppm2 3.702
ASSI (
(( segid " " and resid 1177 and name HA ))
)(
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)
6.000 6.000 0.000 peak 8454 weight 0.10000E+01 volume -0.37000E+00 ppm1 4.733 ppm2 6.578
ASSI (
(( segid " " and resid 1177 and name HA ))
)(
(( segid " " and resid 1178 and name HD22))
OR
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)
5.000 5.000 0.000 peak 7674 weight 0.10000E+01 volume -0.14550E+01 ppm1 4.732 ppm2 6.790
ASSI (
(( segid " " and resid 1177 and name HB1 ))
)(
(( segid " " and resid 1177 and name HB2 ))
)
5.000 5.000 0.000 peak 6613 weight 0.10000E+01 volume 0.12320E+01 ppm1 3.712 ppm2 2.683
ASSI (
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
6.000 6.000 0.000 peak 3034 weight 0.10000E+01 volume -0.14700E+00 ppm1 6.792 ppm2 0.655
ASSI (
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
OR
(( segid " " and resid 1176 and name HB2 ))
)
6.000 6.000 0.000 peak 3203 weight 0.10000E+01 volume -0.26500E+00 ppm1 6.790 ppm2 2.550
ASSI (
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
5.000 5.000 0.000 peak 8469 weight 0.10000E+01 volume -0.52600E+00 ppm1 6.581 ppm2 0.664
ASSI (
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
)
5.000 5.000 0.000 peak 7501 weight 0.10000E+01 volume -0.43300E+00 ppm1 6.582 ppm2 2.496
ASSI (
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
OR
(( segid " " and resid 1176 and name HB2 ))
)
5.000 5.000 0.000 peak 7502 weight 0.10000E+01 volume -0.56300E+00 ppm1 6.580 ppm2 2.534
ASSI (
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)(
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
6.000 6.000 0.000 peak 8473 weight 0.10000E+01 volume -0.29200E+00 ppm1 6.581 ppm2 2.662
ASSI (
(( segid " " and resid 1178 and name HA ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 6879 weight 0.10000E+01 volume -0.54700E+00 ppm1 3.924 ppm2 1.051
ASSI (
(( segid " " and resid 1178 and name HA ))
)(
(( segid " " and resid 1202 and name HD1 ))
)
6.000 6.000 0.000 peak 6878 weight 0.10000E+01 volume -0.34400E+00 ppm1 3.924 ppm2 1.355
ASSI (
(( segid " " and resid 1178 and name HA ))
)(
(( segid " " and resid 1202 and name HN ))
OR
(( segid " " and resid 1179 and name HN ))
OR
(( segid " " and resid 1177 and name HN ))
)
5.000 5.000 0.000 peak 6872 weight 0.10000E+01 volume -0.13860E+01 ppm1 3.921 ppm2 7.883
ASSI (
(( segid " " and resid 1178 and name HB1 ))
)(
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 8426 weight 0.10000E+01 volume 0.12350E+01 ppm1 2.816 ppm2 1.207
ASSI (
(( segid " " and resid 1178 and name HB1 ))
)(
(( segid " " and resid 1178 and name HD21))
)
5.000 5.000 0.000 peak 8428 weight 0.10000E+01 volume 0.44400E+00 ppm1 2.816 ppm2 7.130
ASSI (
(( segid " " and resid 1178 and name HB2 ))
)(
(( segid " " and resid 1178 and name HD21))
)
5.000 5.000 0.000 peak 8430 weight 0.10000E+01 volume 0.46400E+00 ppm1 1.196 ppm2 7.125
ASSI (
(( segid " " and resid 1178 and name HB2 ))
)(
(( segid " " and resid 1178 and name HN ))
)
6.000 6.000 0.000 peak 8432 weight 0.10000E+01 volume 0.25000E+00 ppm1 1.196 ppm2 7.605
ASSI (
(( segid " " and resid 1179 and name HA ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 6322 weight 0.10000E+01 volume -0.53500E+00 ppm1 5.227 ppm2 1.042
ASSI (
(( segid " " and resid 1179 and name HB ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
6.000 6.000 0.000 peak 8040 weight 0.10000E+01 volume 0.17300E+00 ppm1 1.798 ppm2 7.171
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 7433 weight 0.10000E+01 volume 0.12220E+01 ppm1 0.374 ppm2 1.031
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1179 and name HG11))
)
5.000 5.000 0.000 peak 7432 weight 0.10000E+01 volume 0.82700E+00 ppm1 0.371 ppm2 1.135
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1214 and name HG ))
)
5.000 5.000 0.000 peak 7435 weight 0.10000E+01 volume 0.47800E+00 ppm1 0.369 ppm2 1.677
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
OR
(( segid " " and resid 1174 and name HG2 ))
)
5.000 5.000 0.000 peak 7437 weight 0.10000E+01 volume 0.61600E+00 ppm1 0.372 ppm2 2.014
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1226 and name HG1 ))
)
5.000 5.000 0.000 peak 7436 weight 0.10000E+01 volume 0.56000E+00 ppm1 0.372 ppm2 2.082
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
5.000 5.000 0.000 peak 7438 weight 0.10000E+01 volume 0.47200E+00 ppm1 0.371 ppm2 2.232
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
OR
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
6.000 6.000 0.000 peak 7440 weight 0.10000E+01 volume 0.33100E+00 ppm1 0.371 ppm2 2.686
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1226 and name HD2 ))
OR
(( segid " " and resid 1199 and name HB2 ))
OR
(( segid " " and resid 1174 and name HG1 ))
)
5.000 5.000 0.000 peak 7300 weight 0.10000E+01 volume 0.10620E+01 ppm1 0.374 ppm2 2.860
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1177 and name HB1 ))
OR
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 7441 weight 0.10000E+01 volume 0.32400E+00 ppm1 0.371 ppm2 3.710
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1179 and name HN ))
OR
(( segid " " and resid 1177 and name HN ))
)
5.000 5.000 0.000 peak 7445 weight 0.10000E+01 volume 0.60100E+00 ppm1 0.370 ppm2 7.877
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1226 and name HB2 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 6375 weight 0.10000E+01 volume 0.81900E+00 ppm1 0.744 ppm2 1.665
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
)
6.000 6.000 0.000 peak 6373 weight 0.10000E+01 volume 0.29400E+00 ppm1 0.741 ppm2 2.081
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
6.000 6.000 0.000 peak 6372 weight 0.10000E+01 volume 0.18000E+00 ppm1 0.741 ppm2 2.250
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
OR
(( segid " " and resid 1177 and name HB2 ))
)
6.000 6.000 0.000 peak 6371 weight 0.10000E+01 volume 0.38800E+00 ppm1 0.742 ppm2 2.688
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
OR
(( segid " " and resid 1178 and name HD21))
)
6.000 6.000 0.000 peak 6366 weight 0.10000E+01 volume 0.22600E+00 ppm1 0.742 ppm2 7.150
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1202 and name HN ))
OR
(( segid " " and resid 1179 and name HN ))
OR
(( segid " " and resid 1177 and name HN ))
)
5.000 5.000 0.000 peak 6365 weight 0.10000E+01 volume 0.53200E+00 ppm1 0.740 ppm2 7.886
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1227 and name HN ))
OR
(( segid " " and resid 1202 and name HN ))
)
5.000 5.000 0.000 peak 6364 weight 0.10000E+01 volume 0.52100E+00 ppm1 0.739 ppm2 7.928
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1228 and name HN ))
)
6.000 6.000 0.000 peak 6363 weight 0.10000E+01 volume 0.33400E+00 ppm1 0.740 ppm2 8.361
ASSI (
(( segid " " and resid 1180 and name HA ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
5.000 5.000 0.000 peak 6589 weight 0.10000E+01 volume -0.11420E+01 ppm1 4.717 ppm2 2.095
ASSI (
(( segid " " and resid 1180 and name HA ))
)(
(( segid " " and resid 1181 and name HN ))
)
3.300 3.300 0.000 peak 6588 weight 0.10000E+01 volume -0.16170E+01 ppm1 4.718 ppm2 8.341
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1186 and name HD1 ))
)
5.000 5.000 0.000 peak 8418 weight 0.10000E+01 volume 0.12010E+01 ppm1 1.222 ppm2 2.099
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1181 and name HN ))
)
2.700 2.700 0.000 peak 8414 weight 0.10000E+01 volume 0.39340E+01 ppm1 1.223 ppm2 8.344
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1200 and name HN ))
OR
(( segid " " and resid 1180 and name HN ))
)
5.000 5.000 0.000 peak 8415 weight 0.10000E+01 volume 0.12160E+01 ppm1 1.223 ppm2 9.011
ASSI (
(( segid " " and resid 1181 and name HB1 ))
)(
(( segid " " and resid 1181 and name HA ))
)
6.000 6.000 0.000 peak 8380 weight 0.10000E+01 volume 0.26900E+00 ppm1 1.523 ppm2 4.350
ASSI (
(( segid " " and resid 1181 and name HB1 ))
)(
(( segid " " and resid 1181 and name HN ))
)
5.000 5.000 0.000 peak 8382 weight 0.10000E+01 volume 0.58800E+00 ppm1 1.522 ppm2 8.351
ASSI (
(( segid " " and resid 1181 and name HB2 ))
)(
(( segid " " and resid 1181 and name HN ))
)
5.000 5.000 0.000 peak 8381 weight 0.10000E+01 volume 0.43000E+00 ppm1 1.356 ppm2 8.346
ASSI (
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)(
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
)
5.000 5.000 0.000 peak 8401 weight 0.10000E+01 volume 0.15260E+01 ppm1 0.800 ppm2 1.588
ASSI (
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1198 and name HG2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
5.000 5.000 0.000 peak 8403 weight 0.10000E+01 volume 0.48900E+00 ppm1 0.798 ppm2 2.078
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
2.700 2.700 0.000 peak 8386 weight 0.10000E+01 volume 0.50740E+01 ppm1 0.491 ppm2 0.799
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1223 and name HG ))
OR
(( segid " " and resid 1179 and name HG12))
OR
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 8387 weight 0.10000E+01 volume 0.10240E+01 ppm1 0.490 ppm2 1.041
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1198 and name HG2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
5.000 5.000 0.000 peak 8391 weight 0.10000E+01 volume 0.77500E+00 ppm1 0.491 ppm2 2.080
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1189 and name HA ))
OR
(( segid " " and resid 1188 and name HA ))
OR
(( segid " " and resid 1181 and name HA ))
)
3.300 3.300 0.000 peak 8393 weight 0.10000E+01 volume 0.23780E+01 ppm1 0.490 ppm2 4.352
ASSI (
(( segid " " and resid 1182 and name HA ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
OR
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 6864 weight 0.10000E+01 volume -0.11660E+01 ppm1 3.795 ppm2 0.617
ASSI (
(( segid " " and resid 1182 and name HA ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
5.000 5.000 0.000 peak 6862 weight 0.10000E+01 volume -0.44300E+00 ppm1 3.795 ppm2 0.901
ASSI (
(( segid " " and resid 1182 and name HA ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 6863 weight 0.10000E+01 volume -0.11560E+01 ppm1 3.793 ppm2 1.170
ASSI (
(( segid " " and resid 1182 and name HA ))
)(
(( segid " " and resid 1181 and name HA ))
)
6.000 6.000 0.000 peak 6865 weight 0.10000E+01 volume -0.17600E+00 ppm1 3.794 ppm2 4.349
ASSI (
(( segid " " and resid 1182 and name HB1 ))
)(
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 8355 weight 0.10000E+01 volume 0.51100E+00 ppm1 1.177 ppm2 0.620
ASSI (
(( segid " " and resid 1182 and name HB1 ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 8356 weight 0.10000E+01 volume 0.61700E+00 ppm1 1.181 ppm2 0.783
ASSI (
(( segid " " and resid 1182 and name HB1 ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
5.000 5.000 0.000 peak 8358 weight 0.10000E+01 volume 0.40600E+00 ppm1 1.183 ppm2 0.911
ASSI (
(( segid " " and resid 1182 and name HB1 ))
)(
(( segid " " and resid 1182 and name HA ))
)
5.000 5.000 0.000 peak 8353 weight 0.10000E+01 volume 0.41800E+00 ppm1 1.185 ppm2 3.804
ASSI (
(( segid " " and resid 1182 and name HB2 ))
)(
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 8360 weight 0.10000E+01 volume 0.57400E+00 ppm1 1.154 ppm2 0.617
ASSI (
(( segid " " and resid 1182 and name HB2 ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 8359 weight 0.10000E+01 volume 0.55800E+00 ppm1 1.151 ppm2 0.786
ASSI (
(( segid " " and resid 1182 and name HB2 ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
6.000 6.000 0.000 peak 8357 weight 0.10000E+01 volume 0.36600E+00 ppm1 1.157 ppm2 0.912
ASSI (
(( segid " " and resid 1182 and name HB2 ))
)(
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 8362 weight 0.10000E+01 volume 0.18800E+00 ppm1 1.161 ppm2 2.061
ASSI (
(( segid " " and resid 1182 and name HB2 ))
)(
(( segid " " and resid 1182 and name HD2 ))
)
6.000 6.000 0.000 peak 8364 weight 0.10000E+01 volume 0.19600E+00 ppm1 1.152 ppm2 2.560
ASSI (
(( segid " " and resid 1182 and name HB2 ))
)(
(( segid " " and resid 1182 and name HA ))
)
6.000 6.000 0.000 peak 8366 weight 0.10000E+01 volume 0.39400E+00 ppm1 1.149 ppm2 3.802
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 8066 weight 0.10000E+01 volume 0.14620E+01 ppm1 2.748 ppm2 0.795
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1198 and name HG2 ))
)
5.000 5.000 0.000 peak 8056 weight 0.10000E+01 volume 0.48900E+00 ppm1 2.749 ppm2 2.053
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1198 and name HG1 ))
)
6.000 6.000 0.000 peak 8058 weight 0.10000E+01 volume 0.24300E+00 ppm1 2.744 ppm2 2.161
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 8067 weight 0.10000E+01 volume 0.80500E+00 ppm1 2.557 ppm2 0.786
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1198 and name HB2 ))
)
6.000 6.000 0.000 peak 8062 weight 0.10000E+01 volume 0.39000E+00 ppm1 2.549 ppm2 1.801
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 8057 weight 0.10000E+01 volume 0.38700E+00 ppm1 2.557 ppm2 2.059
ASSI (
(( segid " " and resid 1183 and name HA ))
)(
(( segid " " and resid 1183 and name HD1 ))
)
6.000 6.000 0.000 peak 6514 weight 0.10000E+01 volume -0.22700E+00 ppm1 4.864 ppm2 7.297
ASSI (
(( segid " " and resid 1183 and name HA ))
)(
(( segid " " and resid 1183 and name HE3 ))
)
5.000 5.000 0.000 peak 6512 weight 0.10000E+01 volume -0.55800E+00 ppm1 4.862 ppm2 7.669
ASSI (
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)(
(( segid " " and resid 1183 and name HD1 ))
)
6.000 6.000 0.000 peak 8347 weight 0.10000E+01 volume 0.35400E+00 ppm1 3.273 ppm2 7.309
ASSI (
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)(
(( segid " " and resid 1184 and name HN ))
OR
(( segid " " and resid 1183 and name HE3 ))
)
6.000 6.000 0.000 peak 8349 weight 0.10000E+01 volume 0.32900E+00 ppm1 3.273 ppm2 7.602
ASSI (
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)(
(( segid " " and resid 1183 and name HE3 ))
)
5.000 5.000 0.000 peak 8348 weight 0.10000E+01 volume 0.45500E+00 ppm1 3.279 ppm2 7.664
ASSI (
(( segid " " and resid 1183 and name HE3 ))
)(
(( segid " " and resid 1183 and name HZ3 ))
)
5.000 5.000 0.000 peak 8340 weight 0.10000E+01 volume -0.95000E+00 ppm1 7.649 ppm2 7.119
ASSI (
(( segid " " and resid 1183 and name HH2 ))
)(
(( segid " " and resid 1183 and name HZ2 ))
)
3.300 3.300 0.000 peak 8343 weight 0.10000E+01 volume -0.16290E+01 ppm1 7.180 ppm2 7.431
ASSI (
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 6854 weight 0.10000E+01 volume -0.38500E+00 ppm1 3.973 ppm2 0.812
ASSI (
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
6.000 6.000 0.000 peak 6852 weight 0.10000E+01 volume -0.24000E+00 ppm1 3.976 ppm2 1.402
ASSI (
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1184 and name HN ))
)
5.000 5.000 0.000 peak 6840 weight 0.10000E+01 volume -0.76800E+00 ppm1 3.974 ppm2 7.583
ASSI (
(( segid " " and resid 1184 and name HB ))
)(
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)
3.300 3.300 0.000 peak 8334 weight 0.10000E+01 volume -0.26920E+01 ppm1 4.194 ppm2 1.123
ASSI (
(( segid " " and resid 1184 and name HB ))
)(
(( segid " " and resid 1203 and name HN ))
OR
(( segid " " and resid 1185 and name HN ))
)
6.000 6.000 0.000 peak 8331 weight 0.10000E+01 volume -0.31300E+00 ppm1 4.189 ppm2 8.259
ASSI (
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)(
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1203 and name HB2 ))
OR
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1179 and name HB ))
)
6.000 6.000 0.000 peak 6868 weight 0.10000E+01 volume 0.34500E+00 ppm1 1.114 ppm2 1.796
ASSI (
(( segid " " and resid 1185 and name HA ))
)(
(( segid " " and resid 1186 and name HN ))
)
5.000 5.000 0.000 peak 6838 weight 0.10000E+01 volume -0.15910E+01 ppm1 4.248 ppm2 7.739
ASSI (
(( segid " " and resid 1185 and name HA ))
)(
(( segid " " and resid 1185 and name HN ))
)
5.000 5.000 0.000 peak 6837 weight 0.10000E+01 volume -0.12600E+01 ppm1 4.247 ppm2 8.257
ASSI (
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
)(
(( segid " " and resid 1185 and name HA ))
)
2.700 2.700 0.000 peak 8328 weight 0.10000E+01 volume 0.58110E+01 ppm1 1.415 ppm2 4.246
ASSI (
(( segid " " and resid 1187 and name HA ))
)(
(( segid " " and resid 1189 and name HB2 ))
OR
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1186 and name HG1 ))
OR
(( segid " " and resid 1181 and name HG ))
)
5.000 5.000 0.000 peak 8283 weight 0.10000E+01 volume -0.87100E+00 ppm1 4.146 ppm2 1.601
ASSI (
(( segid " " and resid 1187 and name HA ))
)(
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
3.300 3.300 0.000 peak 3134 weight 0.10000E+01 volume -0.26180E+01 ppm1 4.144 ppm2 2.022
ASSI (
(( segid " " and resid 1187 and name HA ))
)(
(( segid " " and resid 1188 and name HN ))
OR
(( segid " " and resid 1187 and name HN ))
)
2.700 2.700 0.000 peak 2542 weight 0.10000E+01 volume -0.48770E+01 ppm1 4.145 ppm2 8.050
ASSI (
(( segid " " and resid 1187 and name HG1 ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
6.000 6.000 0.000 peak 9210 weight 0.10000E+01 volume 0.38200E+00 ppm1 2.311 ppm2 0.492
ASSI (
(( segid " " and resid 1187 and name HG1 ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)
5.000 5.000 0.000 peak 9372 weight 0.10000E+01 volume 0.54000E+00 ppm1 2.320 ppm2 0.797
ASSI (
(( segid " " and resid 1187 and name HG1 ))
)(
(( segid " " and resid 1188 and name HN ))
OR
(( segid " " and resid 1187 and name HN ))
)
6.000 6.000 0.000 peak 9380 weight 0.10000E+01 volume 0.36000E+00 ppm1 2.316 ppm2 8.051
ASSI (
(( segid " " and resid 1187 and name HG2 ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
5.000 5.000 0.000 peak 9209 weight 0.10000E+01 volume 0.41400E+00 ppm1 2.231 ppm2 0.492
ASSI (
(( segid " " and resid 1187 and name HG2 ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)
5.000 5.000 0.000 peak 9373 weight 0.10000E+01 volume 0.47600E+00 ppm1 2.227 ppm2 0.797
ASSI (
(( segid " " and resid 1187 and name HG2 ))
)(
(( segid " " and resid 1188 and name HN ))
OR
(( segid " " and resid 1187 and name HN ))
)
5.000 5.000 0.000 peak 9381 weight 0.10000E+01 volume 0.41200E+00 ppm1 2.229 ppm2 8.051
ASSI (
(( segid " " and resid 1188 and name HB2 ))
)(
(( segid " " and resid 1188 and name HA ))
)
5.000 5.000 0.000 peak 8905 weight 0.10000E+01 volume 0.64200E+00 ppm1 1.618 ppm2 4.397
ASSI (
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)(
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
5.000 5.000 0.000 peak 9616 weight 0.10000E+01 volume 0.60600E+00 ppm1 0.909 ppm2 1.895
ASSI (
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
6.000 6.000 0.000 peak 9610 weight 0.10000E+01 volume 0.24900E+00 ppm1 0.912 ppm2 6.864
ASSI (
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)(
(( segid " " and resid 1189 and name HG ))
OR
(( segid " " and resid 1189 and name HB2 ))
)
3.300 3.300 0.000 peak 9300 weight 0.10000E+01 volume 0.29480E+01 ppm1 0.764 ppm2 1.528
ASSI (
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)(
(( segid " " and resid 1175 and name HB1 ))
)
5.000 5.000 0.000 peak 9298 weight 0.10000E+01 volume 0.59100E+00 ppm1 0.765 ppm2 2.086
ASSI (
(( segid " " and resid 1189 and name HG ))
)(
(( segid " " and resid 1189 and name HA ))
)
5.000 5.000 0.000 peak 9368 weight 0.10000E+01 volume 0.43400E+00 ppm1 1.512 ppm2 4.345
ASSI (
(( segid " " and resid 1190 and name HA ))
)(
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
OR
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
6.000 6.000 0.000 peak 6292 weight 0.10000E+01 volume -0.30200E+00 ppm1 5.359 ppm2 0.827
ASSI (
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1189 and name HG ))
OR
(( segid " " and resid 1189 and name HB2 ))
)
6.000 6.000 0.000 peak 7678 weight 0.10000E+01 volume -0.29100E+00 ppm1 6.847 ppm2 1.555
ASSI (
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 9606 weight 0.10000E+01 volume -0.28400E+00 ppm1 6.735 ppm2 0.635
ASSI (
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)(
(( segid " " and resid 1189 and name HB2 ))
)
6.000 6.000 0.000 peak 9605 weight 0.10000E+01 volume -0.35200E+00 ppm1 6.740 ppm2 1.600
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
6.000 6.000 0.000 peak 7797 weight 0.10000E+01 volume -0.20400E+00 ppm1 3.544 ppm2 0.147
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1181 and name HG ))
)
6.000 6.000 0.000 peak 7803 weight 0.10000E+01 volume -0.17600E+00 ppm1 3.545 ppm2 1.640
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1167 and name HB2 ))
)
6.000 6.000 0.000 peak 7804 weight 0.10000E+01 volume -0.35500E+00 ppm1 3.547 ppm2 2.709
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 7805 weight 0.10000E+01 volume -0.52500E+00 ppm1 3.546 ppm2 2.797
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1191 and name HB2 ))
)
2.700 2.700 0.000 peak 7808 weight 0.10000E+01 volume -0.52230E+01 ppm1 3.546 ppm2 3.438
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1221 and name HA2 ))
OR
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 7810 weight 0.10000E+01 volume -0.43200E+00 ppm1 3.544 ppm2 3.711
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1191 and name HA ))
)
3.300 3.300 0.000 peak 3156 weight 0.10000E+01 volume -0.29890E+01 ppm1 3.547 ppm2 4.639
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1192 and name HN ))
OR
(( segid " " and resid 1191 and name HN ))
)
5.000 5.000 0.000 peak 7796 weight 0.10000E+01 volume -0.97200E+00 ppm1 3.545 ppm2 8.814
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1191 and name HN ))
)
5.000 5.000 0.000 peak 7816 weight 0.10000E+01 volume -0.55600E+00 ppm1 3.547 ppm2 8.875
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1181 and name HG ))
)
6.000 6.000 0.000 peak 7802 weight 0.10000E+01 volume -0.20200E+00 ppm1 3.441 ppm2 1.640
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1167 and name HB2 ))
)
5.000 5.000 0.000 peak 7807 weight 0.10000E+01 volume -0.41100E+00 ppm1 3.439 ppm2 2.696
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 7806 weight 0.10000E+01 volume -0.49600E+00 ppm1 3.433 ppm2 2.792
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1221 and name HA2 ))
OR
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
OR
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 7811 weight 0.10000E+01 volume -0.48200E+00 ppm1 3.439 ppm2 3.702
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1192 and name HA ))
OR
(( segid " " and resid 1168 and name HA ))
)
6.000 6.000 0.000 peak 7812 weight 0.10000E+01 volume -0.21500E+00 ppm1 3.440 ppm2 4.239
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1191 and name HA ))
)
2.700 2.700 0.000 peak 8249 weight 0.10000E+01 volume -0.31260E+01 ppm1 3.437 ppm2 4.637
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1192 and name HN ))
OR
(( segid " " and resid 1191 and name HN ))
)
5.000 5.000 0.000 peak 7814 weight 0.10000E+01 volume -0.12670E+01 ppm1 3.439 ppm2 8.810
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1191 and name HN ))
)
5.000 5.000 0.000 peak 7815 weight 0.10000E+01 volume -0.90800E+00 ppm1 3.437 ppm2 8.860
ASSI (
(( segid " " and resid 1192 and name HA ))
)(
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HG1 ))
OR
(( segid " " and resid 1166 and name HB1 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 8245 weight 0.10000E+01 volume -0.55900E+00 ppm1 4.245 ppm2 2.197
ASSI (
(( segid " " and resid 1192 and name HA ))
)(
(( segid " " and resid 1218 and name HB1 ))
OR
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
6.000 6.000 0.000 peak 6835 weight 0.10000E+01 volume -0.30900E+00 ppm1 4.242 ppm2 3.134
ASSI (
(( segid " " and resid 1192 and name HB2 ))
)(
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
5.000 5.000 0.000 peak 9715 weight 0.10000E+01 volume 0.65100E+00 ppm1 1.466 ppm2 3.125
ASSI (
(( segid " " and resid 1193 and name HA ))
)(
(( segid " " and resid 1218 and name HB2 ))
)
6.000 6.000 0.000 peak 8236 weight 0.10000E+01 volume -0.18700E+00 ppm1 3.670 ppm2 2.840
ASSI (
(( segid " " and resid 1193 and name HA ))
)(
(( segid " " and resid 1218 and name HB1 ))
)
6.000 6.000 0.000 peak 8235 weight 0.10000E+01 volume -0.30100E+00 ppm1 3.663 ppm2 3.096
ASSI (
(( segid " " and resid 1193 and name HA ))
)(
(( segid " " and resid 1194 and name HA2 ))
OR
(( segid " " and resid 1193 and name HB ))
OR
(( segid " " and resid 1191 and name HB1 ))
)
5.000 5.000 0.000 peak 8237 weight 0.10000E+01 volume -0.60800E+00 ppm1 3.664 ppm2 3.560
ASSI (
(( segid " " and resid 1193 and name HA ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
OR
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
)
6.000 6.000 0.000 peak 9305 weight 0.10000E+01 volume -0.15400E+00 ppm1 3.663 ppm2 4.390
ASSI (
(( segid " " and resid 1193 and name HA ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
5.000 5.000 0.000 peak 8234 weight 0.10000E+01 volume -0.69800E+00 ppm1 3.665 ppm2 4.641
ASSI (
(( segid " " and resid 1193 and name HB ))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
5.000 5.000 0.000 peak 8242 weight 0.10000E+01 volume -0.78300E+00 ppm1 3.565 ppm2 1.669
ASSI (
(( segid " " and resid 1193 and name HB ))
)(
(( segid " " and resid 1143 and name HB1 ))
)
5.000 5.000 0.000 peak 8241 weight 0.10000E+01 volume -0.47800E+00 ppm1 3.563 ppm2 1.812
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1220 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
6.000 6.000 0.000 peak 9308 weight 0.10000E+01 volume 0.35900E+00 ppm1 0.412 ppm2 1.799
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1194 and name HA2 ))
OR
(( segid " " and resid 1193 and name HB ))
)
5.000 5.000 0.000 peak 8244 weight 0.10000E+01 volume 0.14430E+01 ppm1 0.417 ppm2 3.570
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1219 and name HA ))
)
3.300 3.300 0.000 peak 7599 weight 0.10000E+01 volume 0.22460E+01 ppm1 0.416 ppm2 4.643
ASSI (
(( segid " " and resid 1194 and name HA1 ))
)(
(( segid " " and resid 1195 and name HN ))
)
6.000 6.000 0.000 peak 6817 weight 0.10000E+01 volume -0.30900E+00 ppm1 4.411 ppm2 8.041
ASSI (
(( segid " " and resid 1194 and name HA2 ))
)(
(( segid " " and resid 1195 and name HN ))
)
6.000 6.000 0.000 peak 6818 weight 0.10000E+01 volume -0.28000E+00 ppm1 3.588 ppm2 8.041
ASSI (
(( segid " " and resid 1195 and name HA ))
)(
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
3.300 3.300 0.000 peak 6810 weight 0.10000E+01 volume -0.20400E+01 ppm1 4.431 ppm2 2.141
ASSI (
(( segid " " and resid 1195 and name HA ))
)(
(( segid " " and resid 1195 and name HG1 ))
)
5.000 5.000 0.000 peak 6811 weight 0.10000E+01 volume -0.10350E+01 ppm1 4.429 ppm2 2.231
ASSI (
(( segid " " and resid 1195 and name HA ))
)(
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
OR
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 6812 weight 0.10000E+01 volume -0.41400E+00 ppm1 4.426 ppm2 3.671
ASSI (
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)(
(( segid " " and resid 1195 and name HA ))
)
3.300 3.300 0.000 peak 9710 weight 0.10000E+01 volume 0.17640E+01 ppm1 2.135 ppm2 4.427
ASSI (
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
OR
(( segid " " and resid 1191 and name HA ))
)
5.000 5.000 0.000 peak 9709 weight 0.10000E+01 volume 0.56300E+00 ppm1 2.137 ppm2 4.626
ASSI (
(( segid " " and resid 1195 and name HG1 ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
5.000 5.000 0.000 peak 7507 weight 0.10000E+01 volume 0.10570E+01 ppm1 2.244 ppm2 4.428
ASSI (
(( segid " " and resid 1195 and name HG2 ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
5.000 5.000 0.000 peak 7508 weight 0.10000E+01 volume 0.93200E+00 ppm1 2.204 ppm2 4.428
ASSI (
(( segid " " and resid 1196 and name HA ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
5.000 5.000 0.000 peak 6340 weight 0.10000E+01 volume -0.47200E+00 ppm1 5.146 ppm2 0.623
ASSI (
(( segid " " and resid 1196 and name HA ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
5.000 5.000 0.000 peak 6338 weight 0.10000E+01 volume -0.52400E+00 ppm1 5.148 ppm2 1.044
ASSI (
(( segid " " and resid 1196 and name HA ))
)(
(( segid " " and resid 1197 and name HB ))
)
6.000 6.000 0.000 peak 6438 weight 0.10000E+01 volume -0.17600E+00 ppm1 5.148 ppm2 1.560
ASSI (
(( segid " " and resid 1196 and name HA ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
6.000 6.000 0.000 peak 6437 weight 0.10000E+01 volume -0.27900E+00 ppm1 5.148 ppm2 4.430
ASSI (
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)(
(( segid " " and resid 1198 and name HG1 ))
OR
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
6.000 6.000 0.000 peak 7980 weight 0.10000E+01 volume -0.33300E+00 ppm1 3.655 ppm2 2.169
ASSI (
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
5.000 5.000 0.000 peak 7987 weight 0.10000E+01 volume -0.98400E+00 ppm1 3.654 ppm2 4.429
ASSI (
(( segid " " and resid 1197 and name HA ))
)(
(( segid " " and resid 1215 and name HB1 ))
OR
(( segid " " and resid 1198 and name HB2 ))
)
6.000 6.000 0.000 peak 6803 weight 0.10000E+01 volume -0.29700E+00 ppm1 4.035 ppm2 1.794
ASSI (
(( segid " " and resid 1197 and name HA ))
)(
(( segid " " and resid 1198 and name HG1 ))
OR
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
6.000 6.000 0.000 peak 6802 weight 0.10000E+01 volume -0.17100E+00 ppm1 4.037 ppm2 2.183
ASSI (
(( segid " " and resid 1197 and name HA ))
)(
(( segid " " and resid 1217 and name HA ))
OR
(( segid " " and resid 1198 and name HA ))
)
6.000 6.000 0.000 peak 6801 weight 0.10000E+01 volume -0.22800E+00 ppm1 4.038 ppm2 4.796
ASSI (
(( segid " " and resid 1197 and name HB ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
OR
(( segid " " and resid 1181 and name HD23))
)
6.000 6.000 0.000 peak 8218 weight 0.10000E+01 volume 0.37200E+00 ppm1 1.540 ppm2 0.511
ASSI (
(( segid " " and resid 1197 and name HB ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HD2 ))
)
6.000 6.000 0.000 peak 8222 weight 0.10000E+01 volume 0.28000E+00 ppm1 1.544 ppm2 7.160
ASSI (
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
5.000 5.000 0.000 peak 8227 weight 0.10000E+01 volume 0.77000E+00 ppm1 0.622 ppm2 1.142
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1182 and name HE ))
)
6.000 6.000 0.000 peak 7777 weight 0.10000E+01 volume 0.21800E+00 ppm1 0.145 ppm2 6.805
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 7776 weight 0.10000E+01 volume 0.56900E+00 ppm1 0.145 ppm2 7.166
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1197 and name HN ))
)
6.000 6.000 0.000 peak 7774 weight 0.10000E+01 volume 0.20000E+00 ppm1 0.145 ppm2 8.987
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)
6.000 6.000 0.000 peak 6550 weight 0.10000E+01 volume -0.25500E+00 ppm1 4.790 ppm2 1.460
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
6.000 6.000 0.000 peak 6549 weight 0.10000E+01 volume -0.28000E+00 ppm1 4.791 ppm2 1.647
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1215 and name HB1 ))
OR
(( segid " " and resid 1198 and name HB2 ))
)
5.000 5.000 0.000 peak 6548 weight 0.10000E+01 volume -0.59600E+00 ppm1 4.793 ppm2 1.788
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1198 and name HB1 ))
)
5.000 5.000 0.000 peak 6547 weight 0.10000E+01 volume -0.48600E+00 ppm1 4.792 ppm2 1.883
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1199 and name HB2 ))
)
6.000 6.000 0.000 peak 8205 weight 0.10000E+01 volume -0.13400E+00 ppm1 4.795 ppm2 2.907
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1215 and name HA ))
)
5.000 5.000 0.000 peak 6297 weight 0.10000E+01 volume -0.15730E+01 ppm1 4.791 ppm2 5.282
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HD2 ))
)
6.000 6.000 0.000 peak 6544 weight 0.10000E+01 volume -0.18600E+00 ppm1 4.790 ppm2 7.158
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1199 and name HN ))
)
3.300 3.300 0.000 peak 6542 weight 0.10000E+01 volume -0.18360E+01 ppm1 4.790 ppm2 8.463
ASSI (
(( segid " " and resid 1198 and name HB1 ))
)(
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 8206 weight 0.10000E+01 volume 0.58800E+00 ppm1 1.888 ppm2 1.177
ASSI (
(( segid " " and resid 1198 and name HB2 ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 8207 weight 0.10000E+01 volume 0.80100E+00 ppm1 1.794 ppm2 1.177
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
OR
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
OR
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 6316 weight 0.10000E+01 volume -0.57200E+00 ppm1 5.274 ppm2 0.632
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
OR
(( segid " " and resid 1179 and name HG21))
)
6.000 6.000 0.000 peak 6317 weight 0.10000E+01 volume -0.32200E+00 ppm1 5.272 ppm2 0.778
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
OR
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
6.000 6.000 0.000 peak 6319 weight 0.10000E+01 volume -0.21400E+00 ppm1 5.275 ppm2 1.187
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1199 and name HB2 ))
)
5.000 5.000 0.000 peak 6315 weight 0.10000E+01 volume -0.45200E+00 ppm1 5.273 ppm2 2.910
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1199 and name HB1 ))
)
5.000 5.000 0.000 peak 6314 weight 0.10000E+01 volume -0.60000E+00 ppm1 5.273 ppm2 3.140
ASSI (
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 8196 weight 0.10000E+01 volume -0.20700E+00 ppm1 7.159 ppm2 2.078
ASSI (
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)(
(( segid " " and resid 1198 and name HA ))
OR
(( segid " " and resid 1180 and name HA ))
)
6.000 6.000 0.000 peak 9596 weight 0.10000E+01 volume -0.15300E+00 ppm1 7.147 ppm2 4.760
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
5.000 5.000 0.000 peak 7788 weight 0.10000E+01 volume -0.43700E+00 ppm1 7.173 ppm2 0.397
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 7792 weight 0.10000E+01 volume -0.24800E+00 ppm1 7.173 ppm2 2.095
ASSI (
(( segid " " and resid 1200 and name HA ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
OR
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
3.300 3.300 0.000 peak 6796 weight 0.10000E+01 volume -0.17050E+01 ppm1 4.586 ppm2 0.644
ASSI (
(( segid " " and resid 1200 and name HB ))
)(
(( segid " " and resid 1214 and name HA ))
OR
(( segid " " and resid 1204 and name HA1 ))
OR
(( segid " " and resid 1184 and name HB ))
)
6.000 6.000 0.000 peak 8170 weight 0.10000E+01 volume 0.30300E+00 ppm1 2.120 ppm2 4.196
ASSI (
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)(
(( segid " " and resid 1201 and name HN ))
OR
(( segid " " and resid 1199 and name HN ))
OR
(( segid " " and resid 1183 and name HN ))
)
5.000 5.000 0.000 peak 8177 weight 0.10000E+01 volume 0.40200E+00 ppm1 0.779 ppm2 8.461
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1181 and name HA ))
)
6.000 6.000 0.000 peak 8190 weight 0.10000E+01 volume 0.18900E+00 ppm1 0.610 ppm2 4.353
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1180 and name HA ))
)
6.000 6.000 0.000 peak 8189 weight 0.10000E+01 volume 0.16000E+00 ppm1 0.610 ppm2 4.735
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1187 and name HN ))
OR
(( segid " " and resid 1182 and name HN ))
)
6.000 6.000 0.000 peak 8186 weight 0.10000E+01 volume 0.18500E+00 ppm1 0.611 ppm2 8.087
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1203 and name HN ))
OR
(( segid " " and resid 1181 and name HN ))
)
6.000 6.000 0.000 peak 8185 weight 0.10000E+01 volume 0.16400E+00 ppm1 0.610 ppm2 8.306
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1201 and name HN ))
OR
(( segid " " and resid 1199 and name HN ))
OR
(( segid " " and resid 1183 and name HN ))
)
5.000 5.000 0.000 peak 8184 weight 0.10000E+01 volume 0.80800E+00 ppm1 0.609 ppm2 8.461
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
OR
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 6378 weight 0.10000E+01 volume -0.51800E+00 ppm1 5.102 ppm2 1.040
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1179 and name HB ))
)
6.000 6.000 0.000 peak 6377 weight 0.10000E+01 volume -0.25700E+00 ppm1 5.102 ppm2 1.799
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1205 and name HB1 ))
)
6.000 6.000 0.000 peak 8147 weight 0.10000E+01 volume -0.27800E+00 ppm1 5.097 ppm2 3.199
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1231 and name HA ))
OR
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1184 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
OR
(( segid " " and resid 1175 and name HA ))
)
6.000 6.000 0.000 peak 6354 weight 0.10000E+01 volume -0.25800E+00 ppm1 5.103 ppm2 3.967
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
5.000 5.000 0.000 peak 6761 weight 0.10000E+01 volume -0.10770E+01 ppm1 3.960 ppm2 1.048
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
5.000 5.000 0.000 peak 6760 weight 0.10000E+01 volume -0.10990E+01 ppm1 3.960 ppm2 1.207
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1202 and name HD1 ))
)
6.000 6.000 0.000 peak 6762 weight 0.10000E+01 volume -0.25500E+00 ppm1 3.960 ppm2 1.365
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 6759 weight 0.10000E+01 volume -0.14290E+01 ppm1 3.962 ppm2 1.641
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1231 and name HB1 ))
OR
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1203 and name HB2 ))
OR
(( segid " " and resid 1179 and name HB ))
)
5.000 5.000 0.000 peak 6758 weight 0.10000E+01 volume -0.60700E+00 ppm1 3.963 ppm2 1.759
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1203 and name HB1 ))
)
5.000 5.000 0.000 peak 6757 weight 0.10000E+01 volume -0.52000E+00 ppm1 3.962 ppm2 1.869
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
6.000 6.000 0.000 peak 6756 weight 0.10000E+01 volume -0.17700E+00 ppm1 3.963 ppm2 2.851
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1203 and name HN ))
)
2.700 2.700 0.000 peak 6754 weight 0.10000E+01 volume -0.38690E+01 ppm1 3.957 ppm2 8.298
ASSI (
(( segid " " and resid 1202 and name HB1 ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
3.300 3.300 0.000 peak 8135 weight 0.10000E+01 volume 0.27160E+01 ppm1 1.654 ppm2 1.057
ASSI (
(( segid " " and resid 1202 and name HB1 ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)
6.000 6.000 0.000 peak 8142 weight 0.10000E+01 volume 0.37300E+00 ppm1 1.651 ppm2 2.885
ASSI (
(( segid " " and resid 1202 and name HB1 ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1203 and name HN ))
)
5.000 5.000 0.000 peak 8141 weight 0.10000E+01 volume 0.54000E+00 ppm1 1.652 ppm2 8.301
ASSI (
(( segid " " and resid 1202 and name HB2 ))
)(
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 8144 weight 0.10000E+01 volume 0.81200E+00 ppm1 1.058 ppm2 1.188
ASSI (
(( segid " " and resid 1202 and name HB2 ))
)(
(( segid " " and resid 1202 and name HD1 ))
)
6.000 6.000 0.000 peak 8146 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.063 ppm2 1.361
ASSI (
(( segid " " and resid 1202 and name HB2 ))
)(
(( segid " " and resid 1202 and name HB1 ))
)
3.300 3.300 0.000 peak 8134 weight 0.10000E+01 volume 0.18880E+01 ppm1 1.063 ppm2 1.651
ASSI (
(( segid " " and resid 1202 and name HB2 ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
6.000 6.000 0.000 peak 8143 weight 0.10000E+01 volume 0.18600E+00 ppm1 1.057 ppm2 2.843
ASSI (
(( segid " " and resid 1202 and name HB2 ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1203 and name HN ))
)
6.000 6.000 0.000 peak 8140 weight 0.10000E+01 volume 0.29500E+00 ppm1 1.064 ppm2 8.297
ASSI (
(( segid " " and resid 1202 and name HD1 ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
5.000 5.000 0.000 peak 9588 weight 0.10000E+01 volume 0.12800E+01 ppm1 1.396 ppm2 1.038
ASSI (
(( segid " " and resid 1202 and name HD1 ))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
)
5.000 5.000 0.000 peak 9594 weight 0.10000E+01 volume 0.43600E+00 ppm1 1.391 ppm2 3.938
ASSI (
(( segid " " and resid 1202 and name HD2 ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
5.000 5.000 0.000 peak 9589 weight 0.10000E+01 volume 0.10040E+01 ppm1 1.297 ppm2 1.037
ASSI (
(( segid " " and resid 1202 and name HD2 ))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
)
6.000 6.000 0.000 peak 9595 weight 0.10000E+01 volume 0.28600E+00 ppm1 1.300 ppm2 3.938
ASSI (
(( segid " " and resid 1202 and name HG1 ))
)(
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 9360 weight 0.10000E+01 volume 0.11330E+01 ppm1 1.181 ppm2 1.660
ASSI (
(( segid " " and resid 1202 and name HG2 ))
)(
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 9359 weight 0.10000E+01 volume 0.13190E+01 ppm1 1.019 ppm2 1.655
ASSI (
(( segid " " and resid 1203 and name HA ))
)(
(( segid " " and resid 1203 and name HG2 ))
)
5.000 5.000 0.000 peak 6753 weight 0.10000E+01 volume -0.76900E+00 ppm1 4.097 ppm2 1.617
ASSI (
(( segid " " and resid 1203 and name HA ))
)(
(( segid " " and resid 1203 and name HB1 ))
)
5.000 5.000 0.000 peak 6751 weight 0.10000E+01 volume -0.12820E+01 ppm1 4.096 ppm2 1.862
ASSI (
(( segid " " and resid 1204 and name HA1 ))
)(
(( segid " " and resid 1231 and name HB1 ))
OR
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1203 and name HB2 ))
)
6.000 6.000 0.000 peak 6739 weight 0.10000E+01 volume -0.30600E+00 ppm1 4.231 ppm2 1.760
ASSI (
(( segid " " and resid 1204 and name HA1 ))
)(
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 6735 weight 0.10000E+01 volume -0.32500E+00 ppm1 4.232 ppm2 6.668
ASSI (
(( segid " " and resid 1204 and name HA2 ))
)(
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 6736 weight 0.10000E+01 volume -0.27100E+00 ppm1 3.611 ppm2 6.666
ASSI (
(( segid " " and resid 1205 and name HB1 ))
)(
(( segid " " and resid 1205 and name HN ))
)
6.000 6.000 0.000 peak 8080 weight 0.10000E+01 volume 0.30800E+00 ppm1 3.203 ppm2 8.314
ASSI (
(( segid " " and resid 1205 and name HB2 ))
)(
(( segid " " and resid 1228 and name HB1 ))
)
5.000 5.000 0.000 peak 7342 weight 0.10000E+01 volume 0.40400E+00 ppm1 2.676 ppm2 3.724
ASSI (
(( segid " " and resid 1205 and name HB2 ))
)(
(( segid " " and resid 1205 and name HA ))
)
5.000 5.000 0.000 peak 8074 weight 0.10000E+01 volume 0.58700E+00 ppm1 2.668 ppm2 4.805
ASSI (
(( segid " " and resid 1205 and name HB2 ))
)(
(( segid " " and resid 1205 and name HN ))
)
6.000 6.000 0.000 peak 8081 weight 0.10000E+01 volume 0.33400E+00 ppm1 2.678 ppm2 8.314
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1230 and name HB1 ))
OR
(( segid " " and resid 1206 and name HG1 ))
OR
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 8098 weight 0.10000E+01 volume -0.59600E+00 ppm1 6.656 ppm2 1.622
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
)(
(( segid " " and resid 1230 and name HG2 ))
OR
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
5.000 5.000 0.000 peak 8105 weight 0.10000E+01 volume -0.77200E+00 ppm1 6.696 ppm2 1.060
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
)(
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 8104 weight 0.10000E+01 volume -0.53300E+00 ppm1 6.696 ppm2 1.191
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
)(
(( segid " " and resid 1231 and name HG2 ))
OR
(( segid " " and resid 1231 and name HG1 ))
OR
(( segid " " and resid 1230 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
OR
(( segid " " and resid 1202 and name HD1 ))
)
5.000 5.000 0.000 peak 7355 weight 0.10000E+01 volume -0.69900E+00 ppm1 6.695 ppm2 1.419
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
)(
(( segid " " and resid 1230 and name HB1 ))
OR
(( segid " " and resid 1206 and name HG1 ))
OR
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 8103 weight 0.10000E+01 volume -0.53900E+00 ppm1 6.696 ppm2 1.627
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
5.000 5.000 0.000 peak 8106 weight 0.10000E+01 volume -0.71000E+00 ppm1 6.695 ppm2 2.824
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
6.000 6.000 0.000 peak 8107 weight 0.10000E+01 volume -0.14800E+00 ppm1 6.695 ppm2 4.969
ASSI (
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1203 and name HN ))
)
6.000 6.000 0.000 peak 8111 weight 0.10000E+01 volume -0.16100E+00 ppm1 6.698 ppm2 8.297
ASSI (
(( segid " " and resid 1206 and name HA ))
)(
(( segid " " and resid 1206 and name HG2 ))
OR
(( segid " " and resid 1206 and name HG1 ))
)
5.000 5.000 0.000 peak 6474 weight 0.10000E+01 volume -0.79900E+00 ppm1 4.964 ppm2 1.596
ASSI (
(( segid " " and resid 1206 and name HA ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
6.000 6.000 0.000 peak 6472 weight 0.10000E+01 volume -0.18800E+00 ppm1 4.964 ppm2 2.681
ASSI (
(( segid " " and resid 1206 and name HA ))
)(
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
OR
(( segid " " and resid 1205 and name HB1 ))
)
6.000 6.000 0.000 peak 6471 weight 0.10000E+01 volume -0.38200E+00 ppm1 4.966 ppm2 3.171
ASSI (
(( segid " " and resid 1206 and name HA ))
)(
(( segid " " and resid 1205 and name HA ))
)
6.000 6.000 0.000 peak 6469 weight 0.10000E+01 volume -0.31200E+00 ppm1 4.963 ppm2 4.790
ASSI (
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)(
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
)
5.000 5.000 0.000 peak 8072 weight 0.10000E+01 volume 0.11080E+01 ppm1 1.828 ppm2 3.160
ASSI (
(( segid " " and resid 1206 and name HG1 ))
)(
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)
3.300 3.300 0.000 peak 9342 weight 0.10000E+01 volume 0.27100E+01 ppm1 1.615 ppm2 1.819
ASSI (
(( segid " " and resid 1206 and name HG1 ))
)(
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
)
5.000 5.000 0.000 peak 9338 weight 0.10000E+01 volume 0.15250E+01 ppm1 1.610 ppm2 3.162
ASSI (
(( segid " " and resid 1206 and name HG1 ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
5.000 5.000 0.000 peak 6476 weight 0.10000E+01 volume 0.44200E+00 ppm1 1.616 ppm2 4.965
ASSI (
(( segid " " and resid 1206 and name HG2 ))
)(
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)
3.300 3.300 0.000 peak 9343 weight 0.10000E+01 volume 0.25260E+01 ppm1 1.566 ppm2 1.818
ASSI (
(( segid " " and resid 1206 and name HG2 ))
)(
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
)
3.300 3.300 0.000 peak 8024 weight 0.10000E+01 volume 0.17140E+01 ppm1 1.564 ppm2 3.162
ASSI (
(( segid " " and resid 1206 and name HG2 ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
5.000 5.000 0.000 peak 9339 weight 0.10000E+01 volume 0.54000E+00 ppm1 1.574 ppm2 4.965
ASSI (
(( segid " " and resid 1207 and name HA ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
OR
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
6.000 6.000 0.000 peak 6730 weight 0.10000E+01 volume -0.17600E+00 ppm1 4.415 ppm2 0.699
ASSI (
(( segid " " and resid 1207 and name HB1 ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
5.000 5.000 0.000 peak 8035 weight 0.10000E+01 volume 0.42100E+00 ppm1 1.797 ppm2 1.113
ASSI (
(( segid " " and resid 1207 and name HB1 ))
)(
(( segid " " and resid 1207 and name HB2 ))
)
3.300 3.300 0.000 peak 8029 weight 0.10000E+01 volume 0.29700E+01 ppm1 1.791 ppm2 1.466
ASSI (
(( segid " " and resid 1207 and name HB1 ))
)(
(( segid " " and resid 1207 and name HA ))
)
5.000 5.000 0.000 peak 8027 weight 0.10000E+01 volume 0.55800E+00 ppm1 1.795 ppm2 4.415
ASSI (
(( segid " " and resid 1207 and name HB1 ))
)(
(( segid " " and resid 1207 and name HN ))
)
5.000 5.000 0.000 peak 8030 weight 0.10000E+01 volume 0.12000E+01 ppm1 1.791 ppm2 8.765
ASSI (
(( segid " " and resid 1207 and name HB2 ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
6.000 6.000 0.000 peak 8034 weight 0.10000E+01 volume 0.28100E+00 ppm1 1.462 ppm2 1.090
ASSI (
(( segid " " and resid 1207 and name HB2 ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
)
2.700 2.700 0.000 peak 8028 weight 0.10000E+01 volume 0.48640E+01 ppm1 1.464 ppm2 1.790
ASSI (
(( segid " " and resid 1207 and name HB2 ))
)(
(( segid " " and resid 1207 and name HA ))
)
5.000 5.000 0.000 peak 8026 weight 0.10000E+01 volume 0.59300E+00 ppm1 1.463 ppm2 4.413
ASSI (
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)(
(( segid " " and resid 1213 and name HA ))
OR
(( segid " " and resid 1207 and name HA ))
)
5.000 5.000 0.000 peak 6690 weight 0.10000E+01 volume 0.43300E+00 ppm1 0.858 ppm2 4.415
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
)
6.000 6.000 0.000 peak 7426 weight 0.10000E+01 volume 0.34000E+00 ppm1 0.948 ppm2 2.082
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)
6.000 6.000 0.000 peak 7428 weight 0.10000E+01 volume 0.24900E+00 ppm1 0.947 ppm2 4.172
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1213 and name HA ))
OR
(( segid " " and resid 1207 and name HA ))
)
3.300 3.300 0.000 peak 6692 weight 0.10000E+01 volume 0.23970E+01 ppm1 0.944 ppm2 4.413
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1228 and name HA ))
)
6.000 6.000 0.000 peak 7425 weight 0.10000E+01 volume 0.14900E+00 ppm1 0.948 ppm2 5.540
ASSI (
(( segid " " and resid 1208 and name HA ))
)(
(( segid " " and resid 1211 and name HB2 ))
)
6.000 6.000 0.000 peak 8006 weight 0.10000E+01 volume -0.33200E+00 ppm1 4.466 ppm2 3.809
ASSI (
(( segid " " and resid 1208 and name HA ))
)(
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1208 and name HB1 ))
)
3.300 3.300 0.000 peak 6979 weight 0.10000E+01 volume -0.20050E+01 ppm1 4.474 ppm2 3.924
ASSI (
(( segid " " and resid 1208 and name HA ))
)(
(( segid " " and resid 1208 and name HN ))
)
5.000 5.000 0.000 peak 6981 weight 0.10000E+01 volume -0.48500E+00 ppm1 4.473 ppm2 8.921
ASSI (
(( segid " " and resid 1208 and name HB1 ))
)(
(( segid " " and resid 1208 and name HN ))
)
5.000 5.000 0.000 peak 8008 weight 0.10000E+01 volume -0.69900E+00 ppm1 3.920 ppm2 8.925
ASSI (
(( segid " " and resid 1208 and name HB2 ))
)(
(( segid " " and resid 1208 and name HN ))
)
5.000 5.000 0.000 peak 8009 weight 0.10000E+01 volume -0.83700E+00 ppm1 3.677 ppm2 8.916
ASSI (
(( segid " " and resid 1209 and name HA ))
)(
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1209 and name HB1 ))
)
2.700 2.700 0.000 peak 6722 weight 0.10000E+01 volume -0.44480E+01 ppm1 4.272 ppm2 3.934
ASSI (
(( segid " " and resid 1209 and name HA ))
)(
(( segid " " and resid 1211 and name HN ))
)
6.000 6.000 0.000 peak 6719 weight 0.10000E+01 volume -0.18100E+00 ppm1 4.274 ppm2 7.590
ASSI (
(( segid " " and resid 1209 and name HB1 ))
)(
(( segid " " and resid 1208 and name HA ))
)
5.000 5.000 0.000 peak 7999 weight 0.10000E+01 volume -0.51300E+00 ppm1 3.980 ppm2 4.493
ASSI (
(( segid " " and resid 1209 and name HB2 ))
)(
(( segid " " and resid 1208 and name HA ))
)
5.000 5.000 0.000 peak 8000 weight 0.10000E+01 volume -0.50600E+00 ppm1 3.938 ppm2 4.488
ASSI (
(( segid " " and resid 1210 and name HA ))
)(
(( segid " " and resid 1210 and name HB1 ))
)
3.300 3.300 0.000 peak 7969 weight 0.10000E+01 volume -0.23870E+01 ppm1 4.285 ppm2 1.937
ASSI (
(( segid " " and resid 1210 and name HB1 ))
)(
(( segid " " and resid 1210 and name HB2 ))
)
2.700 2.700 0.000 peak 7991 weight 0.10000E+01 volume 0.56800E+01 ppm1 1.934 ppm2 1.703
ASSI (
(( segid " " and resid 1211 and name HA ))
)(
(( segid " " and resid 1211 and name HB2 ))
)
5.000 5.000 0.000 peak 7951 weight 0.10000E+01 volume -0.10030E+01 ppm1 4.350 ppm2 3.783
ASSI (
(( segid " " and resid 1211 and name HA ))
)(
(( segid " " and resid 1211 and name HB1 ))
)
5.000 5.000 0.000 peak 7952 weight 0.10000E+01 volume -0.12360E+01 ppm1 4.350 ppm2 3.952
ASSI (
(( segid " " and resid 1211 and name HA ))
)(
(( segid " " and resid 1211 and name HN ))
)
5.000 5.000 0.000 peak 7950 weight 0.10000E+01 volume -0.60500E+00 ppm1 4.351 ppm2 7.590
ASSI (
(( segid " " and resid 1211 and name HB1 ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 7962 weight 0.10000E+01 volume -0.67200E+00 ppm1 3.943 ppm2 0.850
ASSI (
(( segid " " and resid 1211 and name HB1 ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
)
5.000 5.000 0.000 peak 7957 weight 0.10000E+01 volume -0.48900E+00 ppm1 3.940 ppm2 1.791
ASSI (
(( segid " " and resid 1211 and name HB1 ))
)(
(( segid " " and resid 1211 and name HN ))
)
6.000 6.000 0.000 peak 7965 weight 0.10000E+01 volume -0.35600E+00 ppm1 3.943 ppm2 7.589
ASSI (
(( segid " " and resid 1211 and name HB2 ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 7964 weight 0.10000E+01 volume -0.46400E+00 ppm1 3.782 ppm2 0.850
ASSI (
(( segid " " and resid 1211 and name HB2 ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
)
5.000 5.000 0.000 peak 7956 weight 0.10000E+01 volume -0.61200E+00 ppm1 3.784 ppm2 1.792
ASSI (
(( segid " " and resid 1211 and name HB2 ))
)(
(( segid " " and resid 1226 and name HA ))
OR
(( segid " " and resid 1208 and name HA ))
)
5.000 5.000 0.000 peak 7961 weight 0.10000E+01 volume -0.69400E+00 ppm1 3.785 ppm2 4.475
ASSI (
(( segid " " and resid 1211 and name HB2 ))
)(
(( segid " " and resid 1211 and name HN ))
)
5.000 5.000 0.000 peak 7966 weight 0.10000E+01 volume -0.61200E+00 ppm1 3.786 ppm2 7.594
ASSI (
(( segid " " and resid 1211 and name HB2 ))
)(
(( segid " " and resid 1227 and name HN ))
)
6.000 6.000 0.000 peak 7967 weight 0.10000E+01 volume -0.28500E+00 ppm1 3.784 ppm2 7.923
ASSI (
(( segid " " and resid 1212 and name HB1 ))
)(
(( segid " " and resid 1212 and name HB2 ))
)
3.300 3.300 0.000 peak 7944 weight 0.10000E+01 volume 0.26640E+01 ppm1 3.207 ppm2 3.071
ASSI (
(( segid " " and resid 1212 and name HB1 ))
)(
(( segid " " and resid 1212 and name HA ))
)
5.000 5.000 0.000 peak 2434 weight 0.10000E+01 volume 0.76400E+00 ppm1 3.207 ppm2 4.624
ASSI (
(( segid " " and resid 1212 and name HB2 ))
)(
(( segid " " and resid 1212 and name HA ))
)
5.000 5.000 0.000 peak 6625 weight 0.10000E+01 volume 0.74600E+00 ppm1 3.076 ppm2 4.628
ASSI (
(( segid " " and resid 1212 and name HD2 ))
)(
(( segid " " and resid 1226 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1210 and name HB2 ))
)
5.000 5.000 0.000 peak 7514 weight 0.10000E+01 volume -0.48100E+00 ppm1 7.350 ppm2 1.675
ASSI (
(( segid " " and resid 1212 and name HD2 ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
)
6.000 6.000 0.000 peak 7625 weight 0.10000E+01 volume -0.18000E+00 ppm1 7.351 ppm2 2.061
ASSI (
(( segid " " and resid 1212 and name HD2 ))
)(
(( segid " " and resid 1212 and name HB2 ))
)
6.000 6.000 0.000 peak 7622 weight 0.10000E+01 volume -0.21400E+00 ppm1 7.355 ppm2 3.076
ASSI (
(( segid " " and resid 1212 and name HD2 ))
)(
(( segid " " and resid 1212 and name HB1 ))
)
5.000 5.000 0.000 peak 7623 weight 0.10000E+01 volume -0.50700E+00 ppm1 7.355 ppm2 3.211
ASSI (
(( segid " " and resid 1213 and name HA ))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)
5.000 5.000 0.000 peak 7927 weight 0.10000E+01 volume -0.40300E+00 ppm1 4.419 ppm2 4.159
ASSI (
(( segid " " and resid 1213 and name HB ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
6.000 6.000 0.000 peak 7929 weight 0.10000E+01 volume -0.22300E+00 ppm1 4.483 ppm2 0.871
ASSI (
(( segid " " and resid 1213 and name HB ))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1226 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
6.000 6.000 0.000 peak 7931 weight 0.10000E+01 volume -0.25600E+00 ppm1 4.484 ppm2 1.652
ASSI (
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)(
(( segid " " and resid 1213 and name HB ))
)
2.700 2.700 0.000 peak 6683 weight 0.10000E+01 volume 0.45220E+01 ppm1 1.236 ppm2 4.478
ASSI (
(( segid " " and resid 1214 and name HA ))
)(
(( segid " " and resid 1226 and name HG1 ))
)
5.000 5.000 0.000 peak 7891 weight 0.10000E+01 volume -0.53000E+00 ppm1 4.196 ppm2 2.100
ASSI (
(( segid " " and resid 1214 and name HA ))
)(
(( segid " " and resid 1224 and name HG1 ))
OR
(( segid " " and resid 1198 and name HG1 ))
)
5.000 5.000 0.000 peak 7892 weight 0.10000E+01 volume -0.47100E+00 ppm1 4.197 ppm2 2.166
ASSI (
(( segid " " and resid 1214 and name HA ))
)(
(( segid " " and resid 1214 and name HN ))
)
5.000 5.000 0.000 peak 7504 weight 0.10000E+01 volume -0.58800E+00 ppm1 4.201 ppm2 8.366
ASSI (
(( segid " " and resid 1214 and name HB1 ))
)(
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
5.000 5.000 0.000 peak 7896 weight 0.10000E+01 volume 0.14020E+01 ppm1 2.251 ppm2 1.673
ASSI (
(( segid " " and resid 1214 and name HB1 ))
)(
(( segid " " and resid 1214 and name HA ))
)
6.000 6.000 0.000 peak 7901 weight 0.10000E+01 volume 0.23100E+00 ppm1 2.239 ppm2 4.170
ASSI (
(( segid " " and resid 1214 and name HB1 ))
)(
(( segid " " and resid 1201 and name HN ))
OR
(( segid " " and resid 1199 and name HN ))
)
6.000 6.000 0.000 peak 7900 weight 0.10000E+01 volume 0.25300E+00 ppm1 2.242 ppm2 8.459
ASSI (
(( segid " " and resid 1214 and name HB2 ))
)(
(( segid " " and resid 1214 and name HB1 ))
)
5.000 5.000 0.000 peak 7895 weight 0.10000E+01 volume 0.11250E+01 ppm1 1.664 ppm2 2.248
ASSI (
(( segid " " and resid 1214 and name HB2 ))
)(
(( segid " " and resid 1214 and name HA ))
)
6.000 6.000 0.000 peak 7904 weight 0.10000E+01 volume 0.20700E+00 ppm1 1.673 ppm2 4.176
ASSI (
(( segid " " and resid 1214 and name HB2 ))
)(
(( segid " " and resid 1214 and name HN ))
OR
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 7905 weight 0.10000E+01 volume 0.43500E+00 ppm1 1.667 ppm2 8.392
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
2.700 2.700 0.000 peak 7919 weight 0.10000E+01 volume 0.41980E+01 ppm1 1.084 ppm2 0.683
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
2.700 2.700 0.000 peak 7918 weight 0.10000E+01 volume 0.58170E+01 ppm1 1.083 ppm2 1.686
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
)
5.000 5.000 0.000 peak 7917 weight 0.10000E+01 volume 0.74800E+00 ppm1 1.083 ppm2 2.108
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1214 and name HB1 ))
)
3.300 3.300 0.000 peak 7916 weight 0.10000E+01 volume 0.24040E+01 ppm1 1.081 ppm2 2.250
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1214 and name HA ))
)
6.000 6.000 0.000 peak 7920 weight 0.10000E+01 volume 0.37100E+00 ppm1 1.081 ppm2 4.167
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1227 and name HA ))
OR
(( segid " " and resid 1212 and name HA ))
OR
(( segid " " and resid 1200 and name HA ))
)
5.000 5.000 0.000 peak 6797 weight 0.10000E+01 volume 0.11050E+01 ppm1 1.079 ppm2 4.583
ASSI (
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)(
(( segid " " and resid 1201 and name HN ))
OR
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 7921 weight 0.10000E+01 volume 0.85100E+00 ppm1 1.082 ppm2 8.457
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
3.300 3.300 0.000 peak 7909 weight 0.10000E+01 volume 0.17730E+01 ppm1 0.682 ppm2 0.955
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
2.700 2.700 0.000 peak 7907 weight 0.10000E+01 volume 0.42740E+01 ppm1 0.683 ppm2 1.686
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
)
5.000 5.000 0.000 peak 7906 weight 0.10000E+01 volume 0.11060E+01 ppm1 0.682 ppm2 2.090
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1214 and name HB1 ))
)
3.300 3.300 0.000 peak 7429 weight 0.10000E+01 volume 0.20000E+01 ppm1 0.683 ppm2 2.253
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1199 and name HB2 ))
)
5.000 5.000 0.000 peak 7910 weight 0.10000E+01 volume 0.44100E+00 ppm1 0.683 ppm2 2.912
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1214 and name HA ))
)
3.300 3.300 0.000 peak 7446 weight 0.10000E+01 volume 0.18930E+01 ppm1 0.681 ppm2 4.167
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1200 and name HA ))
)
5.000 5.000 0.000 peak 7912 weight 0.10000E+01 volume 0.82500E+00 ppm1 0.687 ppm2 4.585
ASSI (
(( segid " " and resid 1215 and name HA ))
)(
(( segid " " and resid 1198 and name HG1 ))
)
6.000 6.000 0.000 peak 3176 weight 0.10000E+01 volume -0.17200E+00 ppm1 5.268 ppm2 2.182
ASSI (
(( segid " " and resid 1215 and name HA ))
)(
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
OR
(( segid " " and resid 1199 and name HB1 ))
)
6.000 6.000 0.000 peak 6298 weight 0.10000E+01 volume -0.21400E+00 ppm1 5.273 ppm2 3.172
ASSI (
(( segid " " and resid 1216 and name HB ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1215 and name HB2 ))
)
6.000 6.000 0.000 peak 7870 weight 0.10000E+01 volume -0.25300E+00 ppm1 4.067 ppm2 1.683
ASSI (
(( segid " " and resid 1216 and name HB ))
)(
(( segid " " and resid 1226 and name HA ))
OR
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1213 and name HB ))
)
6.000 6.000 0.000 peak 7869 weight 0.10000E+01 volume -0.16600E+00 ppm1 4.079 ppm2 4.495
ASSI (
(( segid " " and resid 1216 and name HB ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HD2 ))
)
6.000 6.000 0.000 peak 7868 weight 0.10000E+01 volume -0.12000E+00 ppm1 4.067 ppm2 7.149
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1197 and name HB ))
)
3.300 3.300 0.000 peak 8224 weight 0.10000E+01 volume 0.17720E+01 ppm1 1.138 ppm2 1.539
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
5.000 5.000 0.000 peak 7877 weight 0.10000E+01 volume 0.49900E+00 ppm1 1.135 ppm2 2.074
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1216 and name HA ))
)
5.000 5.000 0.000 peak 6510 weight 0.10000E+01 volume 0.99000E+00 ppm1 1.138 ppm2 4.875
ASSI (
(( segid " " and resid 1217 and name HA ))
)(
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
6.000 6.000 0.000 peak 6534 weight 0.10000E+01 volume -0.27300E+00 ppm1 4.802 ppm2 3.103
ASSI (
(( segid " " and resid 1217 and name HB ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
2.700 2.700 0.000 peak 7863 weight 0.10000E+01 volume -0.33720E+01 ppm1 3.885 ppm2 1.055
ASSI (
(( segid " " and resid 1217 and name HB ))
)(
(( segid " " and resid 1216 and name HB ))
OR
(( segid " " and resid 1197 and name HA ))
)
6.000 6.000 0.000 peak 7862 weight 0.10000E+01 volume -0.32600E+00 ppm1 3.886 ppm2 4.076
ASSI (
(( segid " " and resid 1218 and name HB1 ))
)(
(( segid " " and resid 1218 and name HB2 ))
)
5.000 5.000 0.000 peak 7580 weight 0.10000E+01 volume 0.10430E+01 ppm1 3.088 ppm2 2.816
ASSI (
(( segid " " and resid 1218 and name HB1 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
6.000 6.000 0.000 peak 7581 weight 0.10000E+01 volume 0.31900E+00 ppm1 3.089 ppm2 4.627
ASSI (
(( segid " " and resid 1218 and name HB1 ))
)(
(( segid " " and resid 1218 and name HN ))
)
5.000 5.000 0.000 peak 7583 weight 0.10000E+01 volume 0.43100E+00 ppm1 3.088 ppm2 8.299
ASSI (
(( segid " " and resid 1218 and name HB2 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
5.000 5.000 0.000 peak 7594 weight 0.10000E+01 volume 0.47700E+00 ppm1 2.824 ppm2 4.626
ASSI (
(( segid " " and resid 1218 and name HB2 ))
)(
(( segid " " and resid 1218 and name HN ))
)
5.000 5.000 0.000 peak 7590 weight 0.10000E+01 volume 0.43900E+00 ppm1 2.822 ppm2 8.299
ASSI (
(( segid " " and resid 1219 and name HB1 ))
)(
(( segid " " and resid 1219 and name HB2 ))
)
2.700 2.700 0.000 peak 7598 weight 0.10000E+01 volume 0.35990E+01 ppm1 3.372 ppm2 3.057
ASSI (
(( segid " " and resid 1219 and name HB1 ))
)(
(( segid " " and resid 1219 and name HE3 ))
)
5.000 5.000 0.000 peak 7604 weight 0.10000E+01 volume 0.41700E+00 ppm1 3.373 ppm2 7.594
ASSI (
(( segid " " and resid 1219 and name HB1 ))
)(
(( segid " " and resid 1220 and name HN ))
OR
(( segid " " and resid 1219 and name HN ))
)
6.000 6.000 0.000 peak 7606 weight 0.10000E+01 volume 0.38700E+00 ppm1 3.374 ppm2 8.951
ASSI (
(( segid " " and resid 1219 and name HB2 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
6.000 6.000 0.000 peak 3000 weight 0.10000E+01 volume 0.37600E+00 ppm1 3.071 ppm2 4.641
ASSI (
(( segid " " and resid 1219 and name HB2 ))
)(
(( segid " " and resid 1219 and name HE3 ))
)
6.000 6.000 0.000 peak 7605 weight 0.10000E+01 volume 0.21600E+00 ppm1 3.075 ppm2 7.592
ASSI (
(( segid " " and resid 1219 and name HB2 ))
)(
(( segid " " and resid 1219 and name HN ))
)
6.000 6.000 0.000 peak 7607 weight 0.10000E+01 volume 0.15700E+00 ppm1 3.076 ppm2 8.952
ASSI (
(( segid " " and resid 1219 and name HZ2 ))
)(
(( segid " " and resid 1219 and name HH2 ))
)
5.000 5.000 0.000 peak 7181 weight 0.10000E+01 volume 0.95000E+00 ppm1 7.413 ppm2 7.142
ASSI (
(( segid " " and resid 1220 and name HB1 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 7579 weight 0.10000E+01 volume 0.41500E+00 ppm1 3.094 ppm2 0.657
ASSI (
(( segid " " and resid 1220 and name HB1 ))
)(
(( segid " " and resid 1219 and name HD1 ))
)
6.000 6.000 0.000 peak 7582 weight 0.10000E+01 volume 0.16600E+00 ppm1 3.089 ppm2 7.173
ASSI (
(( segid " " and resid 1220 and name HB2 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 7584 weight 0.10000E+01 volume 0.69300E+00 ppm1 1.767 ppm2 0.659
ASSI (
(( segid " " and resid 1220 and name HB2 ))
)(
(( segid " " and resid 1220 and name HB1 ))
)
3.300 3.300 0.000 peak 7576 weight 0.10000E+01 volume 0.18380E+01 ppm1 1.766 ppm2 3.116
ASSI (
(( segid " " and resid 1221 and name HA1 ))
)(
(( segid " " and resid 1222 and name HA ))
OR
(( segid " " and resid 1220 and name HA ))
)
6.000 6.000 0.000 peak 7565 weight 0.10000E+01 volume -0.32900E+00 ppm1 4.055 ppm2 4.493
ASSI (
(( segid " " and resid 1221 and name HA1 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
6.000 6.000 0.000 peak 7566 weight 0.10000E+01 volume -0.21300E+00 ppm1 4.055 ppm2 4.632
ASSI (
(( segid " " and resid 1222 and name HA ))
)(
(( segid " " and resid 1222 and name HG2 ))
)
5.000 5.000 0.000 peak 7539 weight 0.10000E+01 volume -0.64000E+00 ppm1 4.493 ppm2 1.367
ASSI (
(( segid " " and resid 1222 and name HA ))
)(
(( segid " " and resid 1222 and name HG1 ))
)
5.000 5.000 0.000 peak 7546 weight 0.10000E+01 volume -0.49000E+00 ppm1 4.489 ppm2 1.424
ASSI (
(( segid " " and resid 1222 and name HA ))
)(
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
)
5.000 5.000 0.000 peak 7538 weight 0.10000E+01 volume -0.11060E+01 ppm1 4.493 ppm2 1.741
ASSI (
(( segid " " and resid 1222 and name HA ))
)(
(( segid " " and resid 1169 and name HA ))
)
6.000 6.000 0.000 peak 7541 weight 0.10000E+01 volume -0.25100E+00 ppm1 4.493 ppm2 4.121
ASSI (
(( segid " " and resid 1222 and name HG1 ))
)(
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1222 and name HA ))
)
5.000 5.000 0.000 peak 7544 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.428 ppm2 4.487
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
5.000 5.000 0.000 peak 6658 weight 0.10000E+01 volume -0.44300E+00 ppm1 4.480 ppm2 0.407
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1223 and name HG ))
)
5.000 5.000 0.000 peak 6662 weight 0.10000E+01 volume -0.42400E+00 ppm1 4.481 ppm2 1.059
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
5.000 5.000 0.000 peak 6660 weight 0.10000E+01 volume -0.72300E+00 ppm1 4.483 ppm2 1.158
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1223 and name HB1 ))
)
5.000 5.000 0.000 peak 6661 weight 0.10000E+01 volume -0.40200E+00 ppm1 4.480 ppm2 1.246
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1169 and name HB ))
)
5.000 5.000 0.000 peak 7520 weight 0.10000E+01 volume -0.43000E+00 ppm1 4.482 ppm2 1.687
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1222 and name HN ))
)
6.000 6.000 0.000 peak 7519 weight 0.10000E+01 volume -0.14500E+00 ppm1 4.482 ppm2 7.796
ASSI (
(( segid " " and resid 1223 and name HB1 ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
5.000 5.000 0.000 peak 7521 weight 0.10000E+01 volume -0.85200E+00 ppm1 1.223 ppm2 0.408
ASSI (
(( segid " " and resid 1223 and name HB1 ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
5.000 5.000 0.000 peak 7522 weight 0.10000E+01 volume -0.67300E+00 ppm1 1.222 ppm2 0.530
ASSI (
(( segid " " and resid 1223 and name HB1 ))
)(
(( segid " " and resid 1223 and name HG ))
)
5.000 5.000 0.000 peak 7536 weight 0.10000E+01 volume -0.15030E+01 ppm1 1.222 ppm2 1.031
ASSI (
(( segid " " and resid 1223 and name HB1 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
6.000 6.000 0.000 peak 7530 weight 0.10000E+01 volume -0.20900E+00 ppm1 1.222 ppm2 4.628
ASSI (
(( segid " " and resid 1223 and name HB1 ))
)(
(( segid " " and resid 1224 and name HN ))
OR
(( segid " " and resid 1217 and name HN ))
)
6.000 6.000 0.000 peak 7533 weight 0.10000E+01 volume -0.27800E+00 ppm1 1.221 ppm2 8.290
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
5.000 5.000 0.000 peak 7523 weight 0.10000E+01 volume -0.77200E+00 ppm1 1.135 ppm2 0.407
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
5.000 5.000 0.000 peak 7524 weight 0.10000E+01 volume -0.74300E+00 ppm1 1.131 ppm2 0.529
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1223 and name HG ))
)
5.000 5.000 0.000 peak 7525 weight 0.10000E+01 volume -0.13210E+01 ppm1 1.131 ppm2 1.031
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1169 and name HG11))
)
6.000 6.000 0.000 peak 7526 weight 0.10000E+01 volume -0.25000E+00 ppm1 1.133 ppm2 1.392
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
6.000 6.000 0.000 peak 7527 weight 0.10000E+01 volume -0.28200E+00 ppm1 1.145 ppm2 2.789
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1224 and name HA ))
OR
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1222 and name HA ))
)
5.000 5.000 0.000 peak 7528 weight 0.10000E+01 volume -0.10340E+01 ppm1 1.137 ppm2 4.482
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
6.000 6.000 0.000 peak 7531 weight 0.10000E+01 volume -0.23400E+00 ppm1 1.140 ppm2 4.633
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1224 and name HN ))
)
6.000 6.000 0.000 peak 7534 weight 0.10000E+01 volume -0.25500E+00 ppm1 1.134 ppm2 8.295
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1223 and name HG ))
)
3.300 3.300 0.000 peak 9289 weight 0.10000E+01 volume 0.20760E+01 ppm1 0.528 ppm2 1.051
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
2.700 2.700 0.000 peak 7947 weight 0.10000E+01 volume 0.31690E+01 ppm1 0.527 ppm2 1.148
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 7829 weight 0.10000E+01 volume 0.14240E+01 ppm1 0.529 ppm2 2.811
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1167 and name HB2 ))
)
5.000 5.000 0.000 peak 7853 weight 0.10000E+01 volume 0.40500E+00 ppm1 0.412 ppm2 2.711
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1226 and name HD2 ))
OR
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1174 and name HG1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 7842 weight 0.10000E+01 volume 0.89700E+00 ppm1 0.415 ppm2 2.811
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1169 and name HA ))
OR
(( segid " " and resid 1168 and name HA ))
)
6.000 6.000 0.000 peak 6939 weight 0.10000E+01 volume 0.33500E+00 ppm1 0.409 ppm2 4.171
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1224 and name HA ))
OR
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1222 and name HA ))
)
5.000 5.000 0.000 peak 6940 weight 0.10000E+01 volume 0.67200E+00 ppm1 0.410 ppm2 4.477
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1219 and name HA ))
OR
(( segid " " and resid 1218 and name HA ))
)
5.000 5.000 0.000 peak 7850 weight 0.10000E+01 volume 0.86200E+00 ppm1 0.411 ppm2 4.631
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1217 and name HA ))
OR
(( segid " " and resid 1167 and name HA ))
)
6.000 6.000 0.000 peak 7851 weight 0.10000E+01 volume 0.23100E+00 ppm1 0.411 ppm2 4.790
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)
5.000 5.000 0.000 peak 7848 weight 0.10000E+01 volume 0.41800E+00 ppm1 0.410 ppm2 6.699
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
5.000 5.000 0.000 peak 7847 weight 0.10000E+01 volume 0.84700E+00 ppm1 0.411 ppm2 6.790
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1224 and name HN ))
OR
(( segid " " and resid 1218 and name HN ))
OR
(( segid " " and resid 1217 and name HN ))
)
5.000 5.000 0.000 peak 7844 weight 0.10000E+01 volume 0.40300E+00 ppm1 0.410 ppm2 8.278
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1220 and name HN ))
OR
(( segid " " and resid 1219 and name HN ))
OR
(( segid " " and resid 1197 and name HN ))
)
6.000 6.000 0.000 peak 7843 weight 0.10000E+01 volume 0.27500E+00 ppm1 0.409 ppm2 8.949
ASSI (
(( segid " " and resid 1224 and name HA ))
)(
(( segid " " and resid 1224 and name HG2 ))
)
5.000 5.000 0.000 peak 3147 weight 0.10000E+01 volume -0.77800E+00 ppm1 4.441 ppm2 2.051
ASSI (
(( segid " " and resid 1224 and name HA ))
)(
(( segid " " and resid 1224 and name HG1 ))
)
5.000 5.000 0.000 peak 6648 weight 0.10000E+01 volume -0.50200E+00 ppm1 4.440 ppm2 2.203
ASSI (
(( segid " " and resid 1224 and name HA ))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
)
5.000 5.000 0.000 peak 6652 weight 0.10000E+01 volume -0.60400E+00 ppm1 4.439 ppm2 2.493
ASSI (
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
)(
(( segid " " and resid 1212 and name HD2 ))
)
6.000 6.000 0.000 peak 7510 weight 0.10000E+01 volume 0.39000E+00 ppm1 1.676 ppm2 7.347
ASSI (
(( segid " " and resid 1224 and name HG1 ))
)(
(( segid " " and resid 1224 and name HN ))
OR
(( segid " " and resid 1217 and name HN ))
)
5.000 5.000 0.000 peak 9292 weight 0.10000E+01 volume 0.44700E+00 ppm1 2.205 ppm2 8.276
ASSI (
(( segid " " and resid 1224 and name HG2 ))
)(
(( segid " " and resid 1224 and name HN ))
)
5.000 5.000 0.000 peak 9291 weight 0.10000E+01 volume 0.67300E+00 ppm1 2.054 ppm2 8.274
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
3.300 3.300 0.000 peak 6632 weight 0.10000E+01 volume -0.26190E+01 ppm1 4.166 ppm2 0.680
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1225 and name HB2 ))
)
5.000 5.000 0.000 peak 7483 weight 0.10000E+01 volume -0.61800E+00 ppm1 4.156 ppm2 2.486
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
)
5.000 5.000 0.000 peak 2629 weight 0.10000E+01 volume -0.81100E+00 ppm1 4.157 ppm2 2.548
ASSI (
(( segid " " and resid 1225 and name HB1 ))
)(
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)
6.000 6.000 0.000 peak 7489 weight 0.10000E+01 volume 0.34200E+00 ppm1 2.545 ppm2 6.589
ASSI (
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
5.000 5.000 0.000 peak 9609 weight 0.10000E+01 volume -0.48600E+00 ppm1 6.715 ppm2 0.388
ASSI (
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)(
(( segid " " and resid 1223 and name HG ))
OR
(( segid " " and resid 1179 and name HG12))
OR
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 4396 weight 0.10000E+01 volume -0.72500E+00 ppm1 6.715 ppm2 1.034
ASSI (
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1179 and name HG11))
OR
(( segid " " and resid 1173 and name HB ))
)
6.000 6.000 0.000 peak 9604 weight 0.10000E+01 volume -0.33000E+00 ppm1 6.719 ppm2 1.137
ASSI (
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)(
(( segid " " and resid 1226 and name HD2 ))
OR
(( segid " " and resid 1199 and name HB2 ))
OR
(( segid " " and resid 1174 and name HG1 ))
)
6.000 6.000 0.000 peak 2646 weight 0.10000E+01 volume -0.32900E+00 ppm1 6.723 ppm2 2.864
ASSI (
(( segid " " and resid 1226 and name HA ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
6.000 6.000 0.000 peak 6622 weight 0.10000E+01 volume -0.28800E+00 ppm1 4.492 ppm2 0.680
ASSI (
(( segid " " and resid 1226 and name HA ))
)(
(( segid " " and resid 1226 and name HG1 ))
)
6.000 6.000 0.000 peak 6627 weight 0.10000E+01 volume -0.18300E+00 ppm1 4.492 ppm2 2.065
ASSI (
(( segid " " and resid 1226 and name HA ))
)(
(( segid " " and resid 1212 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB1 ))
)
6.000 6.000 0.000 peak 6623 weight 0.10000E+01 volume -0.27100E+00 ppm1 4.492 ppm2 3.073
ASSI (
(( segid " " and resid 1226 and name HA ))
)(
(( segid " " and resid 1212 and name HB1 ))
)
6.000 6.000 0.000 peak 6626 weight 0.10000E+01 volume -0.21100E+00 ppm1 4.492 ppm2 3.215
ASSI (
(( segid " " and resid 1226 and name HA ))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)
6.000 6.000 0.000 peak 7409 weight 0.10000E+01 volume -0.24200E+00 ppm1 4.492 ppm2 4.155
ASSI (
(( segid " " and resid 1226 and name HB2 ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 7414 weight 0.10000E+01 volume 0.45200E+00 ppm1 1.628 ppm2 0.678
ASSI (
(( segid " " and resid 1226 and name HD1 ))
)(
(( segid " " and resid 1226 and name HA ))
OR
(( segid " " and resid 1224 and name HA ))
)
6.000 6.000 0.000 peak 7296 weight 0.10000E+01 volume -0.31700E+00 ppm1 3.465 ppm2 4.485
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1226 and name HG2 ))
)
5.000 5.000 0.000 peak 7283 weight 0.10000E+01 volume -0.60000E+00 ppm1 2.855 ppm2 1.678
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1226 and name HG1 ))
)
5.000 5.000 0.000 peak 7284 weight 0.10000E+01 volume -0.49400E+00 ppm1 2.853 ppm2 2.086
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
)
6.000 6.000 0.000 peak 7286 weight 0.10000E+01 volume -0.25200E+00 ppm1 2.853 ppm2 2.490
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1225 and name HB1 ))
)
6.000 6.000 0.000 peak 7285 weight 0.10000E+01 volume -0.21200E+00 ppm1 2.855 ppm2 2.587
ASSI (
(( segid " " and resid 1227 and name HA ))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1177 and name HB1 ))
)
3.300 3.300 0.000 peak 6614 weight 0.10000E+01 volume -0.23940E+01 ppm1 4.547 ppm2 3.705
ASSI (
(( segid " " and resid 1227 and name HA ))
)(
(( segid " " and resid 1227 and name HN ))
)
6.000 6.000 0.000 peak 7398 weight 0.10000E+01 volume -0.31300E+00 ppm1 4.545 ppm2 7.939
ASSI (
(( segid " " and resid 1227 and name HA ))
)(
(( segid " " and resid 1228 and name HN ))
)
3.300 3.300 0.000 peak 6610 weight 0.10000E+01 volume -0.24030E+01 ppm1 4.547 ppm2 8.365
ASSI (
(( segid " " and resid 1227 and name HB ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
)
2.700 2.700 0.000 peak 7400 weight 0.10000E+01 volume -0.38360E+01 ppm1 3.690 ppm2 0.665
ASSI (
(( segid " " and resid 1227 and name HB ))
)(
(( segid " " and resid 1211 and name HA ))
OR
(( segid " " and resid 1207 and name HA ))
)
6.000 6.000 0.000 peak 7402 weight 0.10000E+01 volume -0.24600E+00 ppm1 3.693 ppm2 4.370
ASSI (
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
)(
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1177 and name HB1 ))
)
3.300 3.300 0.000 peak 6619 weight 0.10000E+01 volume 0.30070E+01 ppm1 0.663 ppm2 3.699
ASSI (
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
)(
(( segid " " and resid 1227 and name HA ))
)
5.000 5.000 0.000 peak 6617 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.663 ppm2 4.531
ASSI (
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
)(
(( segid " " and resid 1228 and name HN ))
OR
(( segid " " and resid 1209 and name HN ))
)
5.000 5.000 0.000 peak 6618 weight 0.10000E+01 volume 0.43700E+00 ppm1 0.662 ppm2 8.366
ASSI (
(( segid " " and resid 1228 and name HA ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 6255 weight 0.10000E+01 volume -0.16700E+00 ppm1 5.535 ppm2 0.961
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
6.000 6.000 0.000 peak 7377 weight 0.10000E+01 volume -0.28500E+00 ppm1 3.711 ppm2 1.201
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
)
5.000 5.000 0.000 peak 7380 weight 0.10000E+01 volume -0.15350E+01 ppm1 3.710 ppm2 2.714
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1178 and name HB1 ))
)
5.000 5.000 0.000 peak 7381 weight 0.10000E+01 volume -0.84000E+00 ppm1 3.712 ppm2 2.803
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1228 and name HN ))
)
5.000 5.000 0.000 peak 7388 weight 0.10000E+01 volume -0.46500E+00 ppm1 3.715 ppm2 8.359
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
6.000 6.000 0.000 peak 7378 weight 0.10000E+01 volume -0.19000E+00 ppm1 2.719 ppm2 1.185
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1230 and name HD1 ))
OR
(( segid " " and resid 1230 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
OR
(( segid " " and resid 1207 and name HB2 ))
)
6.000 6.000 0.000 peak 7379 weight 0.10000E+01 volume -0.13600E+00 ppm1 2.717 ppm2 1.446
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1205 and name HB1 ))
)
6.000 6.000 0.000 peak 7383 weight 0.10000E+01 volume -0.29200E+00 ppm1 2.723 ppm2 3.211
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1228 and name HB1 ))
)
5.000 5.000 0.000 peak 6251 weight 0.10000E+01 volume -0.13350E+01 ppm1 2.719 ppm2 3.716
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1228 and name HN ))
OR
(( segid " " and resid 1205 and name HN ))
)
6.000 6.000 0.000 peak 7387 weight 0.10000E+01 volume -0.23600E+00 ppm1 2.708 ppm2 8.345
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1230 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1179 and name HG11))
)
6.000 6.000 0.000 peak 6498 weight 0.10000E+01 volume -0.22800E+00 ppm1 4.966 ppm2 1.090
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
6.000 6.000 0.000 peak 6497 weight 0.10000E+01 volume -0.34600E+00 ppm1 4.965 ppm2 1.204
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)
2.700 2.700 0.000 peak 6496 weight 0.10000E+01 volume -0.41070E+01 ppm1 4.966 ppm2 1.442
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
6.000 6.000 0.000 peak 7375 weight 0.10000E+01 volume -0.21200E+00 ppm1 4.965 ppm2 2.822
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1178 and name HD22))
)
6.000 6.000 0.000 peak 6492 weight 0.10000E+01 volume -0.30700E+00 ppm1 4.967 ppm2 6.799
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1178 and name HD21))
)
6.000 6.000 0.000 peak 6491 weight 0.10000E+01 volume -0.29300E+00 ppm1 4.965 ppm2 7.124
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
)
5.000 5.000 0.000 peak 7366 weight 0.10000E+01 volume 0.49400E+00 ppm1 1.444 ppm2 0.660
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 7368 weight 0.10000E+01 volume 0.32200E+00 ppm1 1.439 ppm2 0.939
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1230 and name HG2 ))
)
5.000 5.000 0.000 peak 7369 weight 0.10000E+01 volume 0.83200E+00 ppm1 1.442 ppm2 1.083
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 7370 weight 0.10000E+01 volume 0.10070E+01 ppm1 1.441 ppm2 1.211
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
OR
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)
5.000 5.000 0.000 peak 7365 weight 0.10000E+01 volume 0.61800E+00 ppm1 1.442 ppm2 1.793
ASSI (
(( segid " " and resid 1230 and name HA ))
)(
(( segid " " and resid 1231 and name HG1 ))
OR
(( segid " " and resid 1230 and name HD2 ))
OR
(( segid " " and resid 1230 and name HD1 ))
OR
(( segid " " and resid 1230 and name HB2 ))
)
3.300 3.300 0.000 peak 6601 weight 0.10000E+01 volume -0.21510E+01 ppm1 3.721 ppm2 1.428
ASSI (
(( segid " " and resid 1230 and name HB1 ))
)(
(( segid " " and resid 1230 and name HG1 ))
)
5.000 5.000 0.000 peak 7351 weight 0.10000E+01 volume 0.68100E+00 ppm1 1.630 ppm2 1.222
ASSI (
(( segid " " and resid 1230 and name HB1 ))
)(
(( segid " " and resid 1230 and name HD2 ))
OR
(( segid " " and resid 1230 and name HD1 ))
OR
(( segid " " and resid 1230 and name HB2 ))
)
2.700 2.700 0.000 peak 7350 weight 0.10000E+01 volume 0.46330E+01 ppm1 1.631 ppm2 1.441
ASSI (
(( segid " " and resid 1230 and name HB1 ))
)(
(( segid " " and resid 1231 and name HN ))
)
6.000 6.000 0.000 peak 7348 weight 0.10000E+01 volume 0.18200E+00 ppm1 1.630 ppm2 7.756
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1230 and name HG2 ))
)
5.000 5.000 0.000 peak 7353 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.448 ppm2 1.100
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1230 and name HG1 ))
)
5.000 5.000 0.000 peak 7354 weight 0.10000E+01 volume 0.83400E+00 ppm1 1.445 ppm2 1.216
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1230 and name HB1 ))
)
2.700 2.700 0.000 peak 7349 weight 0.10000E+01 volume 0.39380E+01 ppm1 1.447 ppm2 1.623
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 7347 weight 0.10000E+01 volume 0.35500E+00 ppm1 1.444 ppm2 6.680
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1231 and name HN ))
)
6.000 6.000 0.000 peak 7346 weight 0.10000E+01 volume 0.17700E+00 ppm1 1.444 ppm2 7.767
ASSI (
(( segid " " and resid 1230 and name HG1 ))
)(
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
)
5.000 5.000 0.000 peak 9278 weight 0.10000E+01 volume 0.71200E+00 ppm1 1.202 ppm2 2.811
ASSI (
(( segid " " and resid 1230 and name HG1 ))
)(
(( segid " " and resid 1230 and name HA ))
)
5.000 5.000 0.000 peak 6608 weight 0.10000E+01 volume 0.47700E+00 ppm1 1.204 ppm2 3.725
ASSI (
(( segid " " and resid 1230 and name HG2 ))
)(
(( segid " " and resid 1230 and name HB1 ))
)
5.000 5.000 0.000 peak 7356 weight 0.10000E+01 volume 0.10510E+01 ppm1 1.094 ppm2 1.613
ASSI (
(( segid " " and resid 1231 and name HA ))
)(
(( segid " " and resid 1231 and name HB2 ))
)
3.300 3.300 0.000 peak 6597 weight 0.10000E+01 volume -0.16260E+01 ppm1 4.015 ppm2 1.568
ASSI (
(( segid " " and resid 1231 and name HA ))
)(
(( segid " " and resid 1231 and name HD2 ))
OR
(( segid " " and resid 1231 and name HD1 ))
)
5.000 5.000 0.000 peak 6595 weight 0.10000E+01 volume -0.73100E+00 ppm1 4.015 ppm2 3.153
ASSI (
(( segid " " and resid 1231 and name HB1 ))
)(
(( segid " " and resid 1230 and name HG2 ))
OR
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
6.000 6.000 0.000 peak 7336 weight 0.10000E+01 volume 0.33900E+00 ppm1 1.713 ppm2 1.067
ASSI (
(( segid " " and resid 1231 and name HB1 ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 7337 weight 0.10000E+01 volume 0.51600E+00 ppm1 1.713 ppm2 1.195
ASSI (
(( segid " " and resid 1231 and name HB1 ))
)(
(( segid " " and resid 1202 and name HD2 ))
)
5.000 5.000 0.000 peak 7338 weight 0.10000E+01 volume 0.50800E+00 ppm1 1.712 ppm2 1.304
ASSI (
(( segid " " and resid 1231 and name HB1 ))
)(
(( segid " " and resid 1231 and name HD2 ))
OR
(( segid " " and resid 1231 and name HD1 ))
)
5.000 5.000 0.000 peak 7329 weight 0.10000E+01 volume 0.73400E+00 ppm1 1.714 ppm2 3.129
ASSI (
(( segid " " and resid 1231 and name HB2 ))
)(
(( segid " " and resid 1230 and name HG2 ))
OR
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
6.000 6.000 0.000 peak 7334 weight 0.10000E+01 volume 0.19700E+00 ppm1 1.545 ppm2 1.065
ASSI (
(( segid " " and resid 1231 and name HB2 ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
6.000 6.000 0.000 peak 7333 weight 0.10000E+01 volume 0.32500E+00 ppm1 1.542 ppm2 1.196
ASSI (
(( segid " " and resid 1231 and name HB2 ))
)(
(( segid " " and resid 1231 and name HB1 ))
)
2.700 2.700 0.000 peak 7331 weight 0.10000E+01 volume 0.63530E+01 ppm1 1.544 ppm2 1.712
ASSI (
(( segid " " and resid 1231 and name HB2 ))
)(
(( segid " " and resid 1231 and name HD2 ))
OR
(( segid " " and resid 1231 and name HD1 ))
)
5.000 5.000 0.000 peak 7328 weight 0.10000E+01 volume 0.53100E+00 ppm1 1.547 ppm2 3.111
ASSI (
(( segid " " and resid 1211 and name HB1 ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 7960 weight 0.10000E+01 volume -0.60000E+00 ppm1 3.942 ppm2 0.948
ASSI (
(( segid " " and resid 1211 and name HB2 ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 7963 weight 0.10000E+01 volume -0.61300E+00 ppm1 3.784 ppm2 0.951
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1189 and name HA ))
)
6.000 6.000 0.000 peak 8610 weight 0.10000E+01 volume 0.17000E+00 ppm1 1.027 ppm2 4.343
ASSI (
(( segid " " and resid 1113 and name HG1 ))
)(
(( segid " " and resid 1113 and name HD2 ))
)
5.000 5.000 0.000 peak 9222 weight 0.10000E+01 volume 0.98300E+00 ppm1 1.978 ppm2 2.953
ASSI (
(( segid " " and resid 1116 and name HA ))
)(
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
2.700 2.700 0.000 peak 8372 weight 0.10000E+01 volume -0.41600E+01 ppm1 4.355 ppm2 2.505
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1120 and name HB ))
)
3.300 3.300 0.000 peak 6407 weight 0.10000E+01 volume 0.21440E+01 ppm1 0.106 ppm2 1.524
ASSI (
(( segid " " and resid 1123 and name HA ))
)(
(( segid " " and resid 1124 and name HD2 ))
)
2.700 2.700 0.000 peak 7059 weight 0.10000E+01 volume -0.31700E+01 ppm1 4.690 ppm2 2.975
ASSI (
(( segid " " and resid 1135 and name HG1 ))
)(
(( segid " " and resid 1135 and name HA ))
)
5.000 5.000 0.000 peak 9362 weight 0.10000E+01 volume 0.54100E+00 ppm1 2.174 ppm2 5.375
ASSI (
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
6.000 6.000 0.000 peak 9582 weight 0.10000E+01 volume 0.33000E+00 ppm1 2.512 ppm2 6.657
ASSI (
(( segid " " and resid 1164 and name HG ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
OR
(( segid " " and resid 1142 and name HB2 ))
)
5.000 5.000 0.000 peak 8659 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.636 ppm2 2.260
ASSI (
(( segid " " and resid 1149 and name HA ))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1149 and name HB2 ))
)
5.000 5.000 0.000 peak 6266 weight 0.10000E+01 volume -0.10860E+01 ppm1 5.394 ppm2 1.585
ASSI (
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)
5.000 5.000 0.000 peak 8126 weight 0.10000E+01 volume 0.42700E+00 ppm1 1.777 ppm2 0.764
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1134 and name HA ))
)
6.000 6.000 0.000 peak 7183 weight 0.10000E+01 volume -0.11400E+00 ppm1 3.823 ppm2 4.385
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1134 and name HA ))
)
6.000 6.000 0.000 peak 7182 weight 0.10000E+01 volume -0.19300E+00 ppm1 3.755 ppm2 4.380
ASSI (
(( segid " " and resid 1158 and name HA ))
)(
(( segid " " and resid 1159 and name HN ))
)
2.700 2.700 0.000 peak 2635 weight 0.10000E+01 volume -0.32300E+01 ppm1 4.485 ppm2 7.969
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
2.700 2.700 0.000 peak 8663 weight 0.10000E+01 volume 0.31270E+01 ppm1 0.415 ppm2 0.644
ASSI (
(( segid " " and resid 1225 and name HB1 ))
OR
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
5.000 5.000 0.000 peak 7758 weight 0.10000E+01 volume 0.44600E+00 ppm1 2.582 ppm2 -0.397
ASSI (
(( segid " " and resid 1176 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 7759 weight 0.10000E+01 volume 0.30700E+00 ppm1 2.620 ppm2 -0.397
ASSI (
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1175 and name HA ))
)
5.000 5.000 0.000 peak 8285 weight 0.10000E+01 volume 0.14590E+01 ppm1 2.009 ppm2 3.971
ASSI (
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1176 and name HN ))
)
5.000 5.000 0.000 peak 8287 weight 0.10000E+01 volume 0.74500E+00 ppm1 2.005 ppm2 7.546
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1180 and name HA ))
)
2.700 2.700 0.000 peak 8412 weight 0.10000E+01 volume 0.52730E+01 ppm1 1.223 ppm2 4.722
ASSI (
(( segid " " and resid 1181 and name HA ))
)(
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 8371 weight 0.10000E+01 volume -0.78500E+00 ppm1 4.354 ppm2 1.351
ASSI (
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1187 and name HA ))
)
3.300 3.300 0.000 peak 8282 weight 0.10000E+01 volume 0.18940E+01 ppm1 2.011 ppm2 4.148
ASSI (
(( segid " " and resid 1189 and name HA ))
)(
(( segid " " and resid 1189 and name HB1 ))
)
3.300 3.300 0.000 peak 8492 weight 0.10000E+01 volume -0.19690E+01 ppm1 4.346 ppm2 1.757
ASSI (
(( segid " " and resid 1189 and name HA ))
)(
(( segid " " and resid 1189 and name HB2 ))
)
3.300 3.300 0.000 peak 8370 weight 0.10000E+01 volume -0.19870E+01 ppm1 4.346 ppm2 1.551
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
6.000 6.000 0.000 peak 7948 weight 0.10000E+01 volume 0.34400E+00 ppm1 1.138 ppm2 0.143
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 6310 weight 0.10000E+01 volume -0.76600E+00 ppm1 5.273 ppm2 7.158
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
6.000 6.000 0.000 peak 7913 weight 0.10000E+01 volume 0.33600E+00 ppm1 0.688 ppm2 7.162
ASSI (
(( segid " " and resid 1226 and name HD1 ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 2567 weight 0.10000E+01 volume -0.75100E+00 ppm1 3.469 ppm2 7.150
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 7291 weight 0.10000E+01 volume -0.40200E+00 ppm1 2.850 ppm2 7.159
ASSI (
(( segid " " and resid 1207 and name HA ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
)
5.000 5.000 0.000 peak 6726 weight 0.10000E+01 volume -0.13550E+01 ppm1 4.410 ppm2 1.791
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
)
2.700 2.700 0.000 peak 9337 weight 0.10000E+01 volume 0.32640E+01 ppm1 0.946 ppm2 1.797
ASSI (
(( segid " " and resid 1214 and name HG ))
)(
(( segid " " and resid 1214 and name HN ))
)
5.000 5.000 0.000 peak 9332 weight 0.10000E+01 volume 0.42400E+00 ppm1 1.702 ppm2 8.374
ASSI (
(( segid " " and resid 1106 and name HA ))
)(
(( segid " " and resid 1106 and name HB1 ))
)
3.300 3.300 0.000 peak 7159 weight 0.10000E+01 volume -0.17580E+01 ppm1 4.549 ppm2 3.136
ASSI (
(( segid " " and resid 1106 and name HB2 ))
)(
(( segid " " and resid 1106 and name HB1 ))
)
2.700 2.700 0.000 peak 9255 weight 0.10000E+01 volume 0.99040E+01 ppm1 3.012 ppm2 3.122
ASSI (
(( segid " " and resid 1106 and name HA ))
)(
(( segid " " and resid 1106 and name HB2 ))
)
3.300 3.300 0.000 peak 7160 weight 0.10000E+01 volume -0.17340E+01 ppm1 4.549 ppm2 3.009
ASSI (
(( segid " " and resid 1106 and name HB2 ))
)(
(( segid " " and resid 1106 and name HN ))
)
5.000 5.000 0.000 peak 8164 weight 0.10000E+01 volume 0.68600E+00 ppm1 3.011 ppm2 8.186
ASSI (
(( segid " " and resid 1107 and name HA2 ))
)(
(( segid " " and resid 1107 and name HA1 ))
)
2.700 2.700 0.000 peak 2616 weight 0.10000E+01 volume -0.68590E+01 ppm1 3.474 ppm2 3.806
ASSI (
(( segid " " and resid 1154 and name HA ))
)(
(( segid " " and resid 1107 and name HA1 ))
)
5.000 5.000 0.000 peak 6991 weight 0.10000E+01 volume -0.46800E+00 ppm1 4.260 ppm2 3.813
ASSI (
(( segid " " and resid 1154 and name HA ))
)(
(( segid " " and resid 1107 and name HA2 ))
)
5.000 5.000 0.000 peak 6990 weight 0.10000E+01 volume -0.60800E+00 ppm1 4.261 ppm2 3.491
ASSI (
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)(
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
5.000 5.000 0.000 peak 9460 weight 0.10000E+01 volume 0.12700E+01 ppm1 0.850 ppm2 1.540
ASSI (
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)(
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
5.000 5.000 0.000 peak 9461 weight 0.10000E+01 volume 0.14620E+01 ppm1 0.799 ppm2 1.545
ASSI (
(( segid " " and resid 1130 and name HG1 ))
)(
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
5.000 5.000 0.000 peak 9459 weight 0.10000E+01 volume 0.44700E+00 ppm1 2.028 ppm2 1.548
ASSI (
(( segid " " and resid 1108 and name HG1 ))
)(
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
5.000 5.000 0.000 peak 9507 weight 0.10000E+01 volume 0.78300E+00 ppm1 1.413 ppm2 2.923
ASSI (
(( segid " " and resid 1108 and name HG2 ))
)(
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
5.000 5.000 0.000 peak 7029 weight 0.10000E+01 volume 0.51000E+00 ppm1 1.283 ppm2 2.914
ASSI (
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)(
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
6.000 6.000 0.000 peak 9467 weight 0.10000E+01 volume 0.24100E+00 ppm1 0.850 ppm2 2.917
ASSI (
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)(
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
6.000 6.000 0.000 peak 9471 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.804 ppm2 2.921
ASSI (
(( segid " " and resid 1129 and name HA ))
)(
(( segid " " and resid 1108 and name HG2 ))
)
5.000 5.000 0.000 peak 7022 weight 0.10000E+01 volume -0.73200E+00 ppm1 4.350 ppm2 1.277
ASSI (
(( segid " " and resid 1130 and name HD1 ))
)(
(( segid " " and resid 1108 and name HG2 ))
)
6.000 6.000 0.000 peak 9514 weight 0.10000E+01 volume -0.39200E+00 ppm1 3.658 ppm2 1.289
ASSI (
(( segid " " and resid 1130 and name HD2 ))
)(
(( segid " " and resid 1108 and name HG2 ))
)
5.000 5.000 0.000 peak 9501 weight 0.10000E+01 volume -0.44200E+00 ppm1 3.409 ppm2 1.286
ASSI (
(( segid " " and resid 1107 and name HA1 ))
)(
(( segid " " and resid 1108 and name HN ))
)
5.000 5.000 0.000 peak 9241 weight 0.10000E+01 volume -0.61500E+00 ppm1 3.806 ppm2 7.500
ASSI (
(( segid " " and resid 1107 and name HA2 ))
)(
(( segid " " and resid 1109 and name HA ))
)
6.000 6.000 0.000 peak 9245 weight 0.10000E+01 volume -0.25900E+00 ppm1 3.484 ppm2 4.552
ASSI (
(( segid " " and resid 1109 and name HB1 ))
)(
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 7167 weight 0.10000E+01 volume -0.50700E+00 ppm1 2.869 ppm2 4.534
ASSI (
(( segid " " and resid 1109 and name HB2 ))
)(
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 7165 weight 0.10000E+01 volume -0.65800E+00 ppm1 2.056 ppm2 4.533
ASSI (
(( segid " " and resid 1109 and name HB1 ))
)(
(( segid " " and resid 1109 and name HB2 ))
)
5.000 5.000 0.000 peak 8145 weight 0.10000E+01 volume -0.11770E+01 ppm1 2.870 ppm2 2.064
ASSI (
(( segid " " and resid 1109 and name HA ))
)(
(( segid " " and resid 1109 and name HN ))
)
5.000 5.000 0.000 peak 7153 weight 0.10000E+01 volume -0.67200E+00 ppm1 4.531 ppm2 8.635
ASSI (
(( segid " " and resid 1109 and name HB2 ))
)(
(( segid " " and resid 1109 and name HN ))
)
5.000 5.000 0.000 peak 8648 weight 0.10000E+01 volume -0.50800E+00 ppm1 2.058 ppm2 8.631
ASSI (
(( segid " " and resid 1111 and name HD1 ))
)(
(( segid " " and resid 1110 and name HA1 ))
)
5.000 5.000 0.000 peak 7133 weight 0.10000E+01 volume -0.10850E+01 ppm1 3.864 ppm2 4.716
ASSI (
(( segid " " and resid 1111 and name HD2 ))
)(
(( segid " " and resid 1110 and name HA1 ))
)
5.000 5.000 0.000 peak 7132 weight 0.10000E+01 volume -0.12340E+01 ppm1 3.652 ppm2 4.719
ASSI (
(( segid " " and resid 1111 and name HD1 ))
)(
(( segid " " and resid 1110 and name HA2 ))
)
5.000 5.000 0.000 peak 7138 weight 0.10000E+01 volume -0.83400E+00 ppm1 3.869 ppm2 3.977
ASSI (
(( segid " " and resid 1111 and name HD2 ))
)(
(( segid " " and resid 1110 and name HA2 ))
)
5.000 5.000 0.000 peak 7136 weight 0.10000E+01 volume -0.13050E+01 ppm1 3.650 ppm2 3.977
ASSI (
(( segid " " and resid 1111 and name HB1 ))
)(
(( segid " " and resid 1111 and name HA ))
)
5.000 5.000 0.000 peak 7247 weight 0.10000E+01 volume 0.98100E+00 ppm1 2.514 ppm2 4.759
ASSI (
(( segid " " and resid 1111 and name HG1 ))
)(
(( segid " " and resid 1111 and name HA ))
)
5.000 5.000 0.000 peak 7242 weight 0.10000E+01 volume 0.44000E+00 ppm1 2.214 ppm2 4.758
ASSI (
(( segid " " and resid 1111 and name HG2 ))
)(
(( segid " " and resid 1111 and name HA ))
)
5.000 5.000 0.000 peak 2618 weight 0.10000E+01 volume 0.49400E+00 ppm1 2.183 ppm2 4.754
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1111 and name HA ))
)
3.300 3.300 0.000 peak 7276 weight 0.10000E+01 volume -0.19400E+01 ppm1 3.536 ppm2 4.770
ASSI (
(( segid " " and resid 1112 and name HD2 ))
)(
(( segid " " and resid 1111 and name HA ))
)
5.000 5.000 0.000 peak 7277 weight 0.10000E+01 volume -0.15290E+01 ppm1 3.467 ppm2 4.770
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1111 and name HA ))
)
6.000 6.000 0.000 peak 7318 weight 0.10000E+01 volume 0.22400E+00 ppm1 1.104 ppm2 4.763
ASSI (
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)(
(( segid " " and resid 1111 and name HA ))
)
5.000 5.000 0.000 peak 9133 weight 0.10000E+01 volume -0.42400E+00 ppm1 3.900 ppm2 4.767
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1111 and name HA ))
)
5.000 5.000 0.000 peak 9110 weight 0.10000E+01 volume -0.70100E+00 ppm1 6.820 ppm2 4.770
ASSI (
(( segid " " and resid 1111 and name HG1 ))
)(
(( segid " " and resid 1111 and name HB1 ))
)
5.000 5.000 0.000 peak 7151 weight 0.10000E+01 volume 0.14220E+01 ppm1 2.212 ppm2 2.516
ASSI (
(( segid " " and resid 1111 and name HG2 ))
)(
(( segid " " and resid 1111 and name HB1 ))
)
5.000 5.000 0.000 peak 7150 weight 0.10000E+01 volume 0.15860E+01 ppm1 2.181 ppm2 2.516
ASSI (
(( segid " " and resid 1111 and name HG1 ))
)(
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 7238 weight 0.10000E+01 volume 0.15460E+01 ppm1 2.214 ppm2 1.850
ASSI (
(( segid " " and resid 1111 and name HG2 ))
)(
(( segid " " and resid 1111 and name HB2 ))
)
3.300 3.300 0.000 peak 7237 weight 0.10000E+01 volume 0.17060E+01 ppm1 2.181 ppm2 1.849
ASSI (
(( segid " " and resid 1111 and name HG1 ))
)(
(( segid " " and resid 1111 and name HD1 ))
)
5.000 5.000 0.000 peak 7240 weight 0.10000E+01 volume 0.12850E+01 ppm1 2.215 ppm2 3.875
ASSI (
(( segid " " and resid 1111 and name HG2 ))
)(
(( segid " " and resid 1111 and name HD1 ))
)
5.000 5.000 0.000 peak 2609 weight 0.10000E+01 volume 0.12790E+01 ppm1 2.181 ppm2 3.874
ASSI (
(( segid " " and resid 1111 and name HG1 ))
)(
(( segid " " and resid 1111 and name HD2 ))
)
5.000 5.000 0.000 peak 7239 weight 0.10000E+01 volume 0.11790E+01 ppm1 2.216 ppm2 3.654
ASSI (
(( segid " " and resid 1111 and name HG2 ))
)(
(( segid " " and resid 1111 and name HD2 ))
)
5.000 5.000 0.000 peak 2607 weight 0.10000E+01 volume 0.12850E+01 ppm1 2.182 ppm2 3.656
ASSI (
(( segid " " and resid 1111 and name HA ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
6.000 6.000 0.000 peak 7271 weight 0.10000E+01 volume -0.38600E+00 ppm1 4.766 ppm2 2.184
ASSI (
(( segid " " and resid 1111 and name HB1 ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
3.300 3.300 0.000 peak 7253 weight 0.10000E+01 volume 0.22720E+01 ppm1 2.516 ppm2 2.194
ASSI (
(( segid " " and resid 1126 and name HA ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
5.000 5.000 0.000 peak 3306 weight 0.10000E+01 volume -0.13080E+01 ppm1 4.385 ppm2 2.194
ASSI (
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
6.000 6.000 0.000 peak 9131 weight 0.10000E+01 volume -0.31100E+00 ppm1 3.900 ppm2 2.198
ASSI (
(( segid " " and resid 1112 and name HB1 ))
)(
(( segid " " and resid 1112 and name HA ))
)
5.000 5.000 0.000 peak 9529 weight 0.10000E+01 volume 0.45200E+00 ppm1 1.289 ppm2 3.285
ASSI (
(( segid " " and resid 1112 and name HB2 ))
)(
(( segid " " and resid 1112 and name HA ))
)
5.000 5.000 0.000 peak 9530 weight 0.10000E+01 volume 0.67600E+00 ppm1 0.369 ppm2 3.287
ASSI (
(( segid " " and resid 1113 and name HD1 ))
)(
(( segid " " and resid 1112 and name HA ))
)
6.000 6.000 0.000 peak 9528 weight 0.10000E+01 volume -0.32700E+00 ppm1 2.991 ppm2 3.297
ASSI (
(( segid " " and resid 1113 and name HD2 ))
)(
(( segid " " and resid 1112 and name HA ))
)
5.000 5.000 0.000 peak 9527 weight 0.10000E+01 volume -0.63500E+00 ppm1 2.950 ppm2 3.289
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1112 and name HA ))
)
5.000 5.000 0.000 peak 8726 weight 0.10000E+01 volume 0.42900E+00 ppm1 0.447 ppm2 3.289
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1112 and name HB1 ))
)
5.000 5.000 0.000 peak 7319 weight 0.10000E+01 volume 0.68000E+00 ppm1 1.100 ppm2 1.300
ASSI (
(( segid " " and resid 1112 and name HB1 ))
)(
(( segid " " and resid 1112 and name HB2 ))
)
3.300 3.300 0.000 peak 7213 weight 0.10000E+01 volume 0.16710E+01 ppm1 1.290 ppm2 0.374
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1112 and name HB2 ))
)
6.000 6.000 0.000 peak 7309 weight 0.10000E+01 volume -0.24300E+00 ppm1 3.546 ppm2 0.379
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1112 and name HB2 ))
)
5.000 5.000 0.000 peak 9234 weight 0.10000E+01 volume 0.51300E+00 ppm1 1.102 ppm2 0.378
ASSI (
(( segid " " and resid 1111 and name HB1 ))
)(
(( segid " " and resid 1112 and name HD1 ))
)
5.000 5.000 0.000 peak 7257 weight 0.10000E+01 volume 0.69600E+00 ppm1 2.517 ppm2 3.545
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1112 and name HD1 ))
)
5.000 5.000 0.000 peak 7313 weight 0.10000E+01 volume 0.79800E+00 ppm1 1.104 ppm2 3.536
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1112 and name HD1 ))
)
5.000 5.000 0.000 peak 7311 weight 0.10000E+01 volume -0.49100E+00 ppm1 6.819 ppm2 3.539
ASSI (
(( segid " " and resid 1111 and name HB1 ))
)(
(( segid " " and resid 1112 and name HD2 ))
)
5.000 5.000 0.000 peak 7258 weight 0.10000E+01 volume 0.59000E+00 ppm1 2.516 ppm2 3.488
ASSI (
(( segid " " and resid 1112 and name HB2 ))
)(
(( segid " " and resid 1112 and name HD2 ))
)
6.000 6.000 0.000 peak 9535 weight 0.10000E+01 volume 0.27900E+00 ppm1 0.371 ppm2 3.472
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1112 and name HD2 ))
)
5.000 5.000 0.000 peak 7314 weight 0.10000E+01 volume 0.74700E+00 ppm1 1.104 ppm2 3.468
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1112 and name HD2 ))
)
5.000 5.000 0.000 peak 9115 weight 0.10000E+01 volume -0.47400E+00 ppm1 6.816 ppm2 3.471
ASSI (
(( segid " " and resid 1112 and name HB2 ))
)(
(( segid " " and resid 1112 and name HG1 ))
)
5.000 5.000 0.000 peak 9532 weight 0.10000E+01 volume 0.45100E+00 ppm1 0.371 ppm2 1.542
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1112 and name HG1 ))
)
5.000 5.000 0.000 peak 7280 weight 0.10000E+01 volume -0.10600E+01 ppm1 3.535 ppm2 1.546
ASSI (
(( segid " " and resid 1112 and name HD2 ))
)(
(( segid " " and resid 1112 and name HG1 ))
)
5.000 5.000 0.000 peak 7281 weight 0.10000E+01 volume -0.75500E+00 ppm1 3.463 ppm2 1.546
ASSI (
(( segid " " and resid 1112 and name HG2 ))
)(
(( segid " " and resid 1112 and name HG1 ))
)
3.300 3.300 0.000 peak 7312 weight 0.10000E+01 volume 0.26310E+01 ppm1 1.105 ppm2 1.546
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1112 and name HG1 ))
)
3.300 3.300 0.000 peak 7080 weight 0.10000E+01 volume 0.23020E+01 ppm1 0.501 ppm2 1.533
ASSI (
(( segid " " and resid 1112 and name HA ))
)(
(( segid " " and resid 1112 and name HG2 ))
)
6.000 6.000 0.000 peak 9539 weight 0.10000E+01 volume -0.26300E+00 ppm1 3.279 ppm2 1.112
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1112 and name HG2 ))
)
5.000 5.000 0.000 peak 7083 weight 0.10000E+01 volume 0.70100E+00 ppm1 0.501 ppm2 1.119
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1112 and name HG2 ))
)
6.000 6.000 0.000 peak 6408 weight 0.10000E+01 volume 0.33300E+00 ppm1 0.105 ppm2 1.112
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1112 and name HG2 ))
)
5.000 5.000 0.000 peak 7769 weight 0.10000E+01 volume 0.49800E+00 ppm1 0.098 ppm2 1.114
ASSI (
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)(
(( segid " " and resid 1113 and name HA ))
)
5.000 5.000 0.000 peak 9226 weight 0.10000E+01 volume 0.98300E+00 ppm1 1.977 ppm2 4.586
ASSI (
(( segid " " and resid 1113 and name HB2 ))
)(
(( segid " " and resid 1113 and name HB1 ))
)
2.700 2.700 0.000 peak 7324 weight 0.10000E+01 volume 0.38000E+01 ppm1 1.754 ppm2 2.234
ASSI (
(( segid " " and resid 1114 and name HB1 ))
)(
(( segid " " and resid 1114 and name HA ))
)
5.000 5.000 0.000 peak 8638 weight 0.10000E+01 volume 0.14570E+01 ppm1 2.208 ppm2 4.664
ASSI (
(( segid " " and resid 1114 and name HB2 ))
)(
(( segid " " and resid 1114 and name HA ))
)
5.000 5.000 0.000 peak 8639 weight 0.10000E+01 volume 0.12440E+01 ppm1 1.852 ppm2 4.671
ASSI (
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)(
(( segid " " and resid 1114 and name HA ))
)
5.000 5.000 0.000 peak 9227 weight 0.10000E+01 volume 0.81500E+00 ppm1 1.977 ppm2 4.652
ASSI (
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)(
(( segid " " and resid 1114 and name HB1 ))
)
2.700 2.700 0.000 peak 9216 weight 0.10000E+01 volume 0.33150E+01 ppm1 1.981 ppm2 2.209
ASSI (
(( segid " " and resid 1114 and name HB1 ))
)(
(( segid " " and resid 1114 and name HB2 ))
)
2.700 2.700 0.000 peak 9214 weight 0.10000E+01 volume 0.33440E+01 ppm1 2.211 ppm2 1.853
ASSI (
(( segid " " and resid 1114 and name HB1 ))
)(
(( segid " " and resid 1114 and name HD1 ))
)
6.000 6.000 0.000 peak 9211 weight 0.10000E+01 volume 0.15000E+00 ppm1 2.208 ppm2 3.814
ASSI (
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)(
(( segid " " and resid 1114 and name HD1 ))
)
3.300 3.300 0.000 peak 9225 weight 0.10000E+01 volume 0.18740E+01 ppm1 1.979 ppm2 3.813
ASSI (
(( segid " " and resid 1114 and name HB1 ))
)(
(( segid " " and resid 1114 and name HD2 ))
)
6.000 6.000 0.000 peak 9212 weight 0.10000E+01 volume 0.27300E+00 ppm1 2.210 ppm2 3.639
ASSI (
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)(
(( segid " " and resid 1114 and name HD2 ))
)
3.300 3.300 0.000 peak 9224 weight 0.10000E+01 volume 0.21270E+01 ppm1 1.977 ppm2 3.637
ASSI (
(( segid " " and resid 1160 and name HD1 ))
)(
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)
6.000 6.000 0.000 peak 7660 weight 0.10000E+01 volume -0.38900E+00 ppm1 3.988 ppm2 1.990
ASSI (
(( segid " " and resid 1160 and name HD2 ))
)(
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)
5.000 5.000 0.000 peak 7662 weight 0.10000E+01 volume -0.40300E+00 ppm1 3.685 ppm2 1.984
ASSI (
(( segid " " and resid 1115 and name HB ))
)(
(( segid " " and resid 1115 and name HA ))
)
5.000 5.000 0.000 peak 8268 weight 0.10000E+01 volume 0.79700E+00 ppm1 1.567 ppm2 4.522
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1115 and name HB ))
)
2.700 2.700 0.000 peak 8900 weight 0.10000E+01 volume 0.35180E+01 ppm1 0.436 ppm2 1.555
ASSI (
(( segid " " and resid 1115 and name HA ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 7124 weight 0.10000E+01 volume -0.49700E+00 ppm1 4.519 ppm2 0.194
ASSI (
(( segid " " and resid 1115 and name HB ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 8262 weight 0.10000E+01 volume 0.68500E+00 ppm1 1.564 ppm2 0.198
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
2.700 2.700 0.000 peak 8901 weight 0.10000E+01 volume 0.39380E+01 ppm1 0.433 ppm2 0.196
ASSI (
(( segid " " and resid 1118 and name HA2 ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
6.000 6.000 0.000 peak 7107 weight 0.10000E+01 volume -0.39000E+00 ppm1 3.846 ppm2 0.194
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 7700 weight 0.10000E+01 volume -0.60500E+00 ppm1 6.600 ppm2 0.197
ASSI (
(( segid " " and resid 1137 and name HA ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
6.000 6.000 0.000 peak 6966 weight 0.10000E+01 volume -0.30600E+00 ppm1 4.524 ppm2 0.199
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1115 and name HG11))
)
5.000 5.000 0.000 peak 8902 weight 0.10000E+01 volume 0.76500E+00 ppm1 0.436 ppm2 0.870
ASSI (
(( segid " " and resid 1115 and name HA ))
)(
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
3.300 3.300 0.000 peak 7123 weight 0.10000E+01 volume -0.20280E+01 ppm1 4.524 ppm2 0.438
ASSI (
(( segid " " and resid 1137 and name HA ))
)(
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
6.000 6.000 0.000 peak 9515 weight 0.10000E+01 volume -0.13800E+00 ppm1 4.526 ppm2 0.430
ASSI (
(( segid " " and resid 1114 and name HB2 ))
)(
(( segid " " and resid 1115 and name HN ))
)
5.000 5.000 0.000 peak 9218 weight 0.10000E+01 volume 0.41700E+00 ppm1 1.847 ppm2 8.712
ASSI (
(( segid " " and resid 1115 and name HA ))
)(
(( segid " " and resid 1115 and name HN ))
)
5.000 5.000 0.000 peak 7119 weight 0.10000E+01 volume -0.56200E+00 ppm1 4.518 ppm2 8.714
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1115 and name HN ))
)
6.000 6.000 0.000 peak 6388 weight 0.10000E+01 volume -0.25000E+00 ppm1 5.004 ppm2 8.727
ASSI (
(( segid " " and resid 1115 and name HA ))
)(
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
5.000 5.000 0.000 peak 7121 weight 0.10000E+01 volume -0.63900E+00 ppm1 4.517 ppm2 2.504
ASSI (
(( segid " " and resid 1117 and name HB2 ))
)(
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
6.000 6.000 0.000 peak 9205 weight 0.10000E+01 volume 0.25900E+00 ppm1 1.273 ppm2 2.523
ASSI (
(( segid " " and resid 1115 and name HA ))
)(
(( segid " " and resid 1116 and name HN ))
)
2.700 2.700 0.000 peak 7120 weight 0.10000E+01 volume -0.31430E+01 ppm1 4.524 ppm2 8.179
ASSI (
(( segid " " and resid 1117 and name HB2 ))
)(
(( segid " " and resid 1117 and name HA ))
)
5.000 5.000 0.000 peak 7117 weight 0.10000E+01 volume 0.70200E+00 ppm1 1.268 ppm2 3.786
ASSI (
(( segid " " and resid 1117 and name HA ))
)(
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 7115 weight 0.10000E+01 volume -0.69000E+00 ppm1 3.784 ppm2 2.100
ASSI (
(( segid " " and resid 1117 and name HB2 ))
)(
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 9204 weight 0.10000E+01 volume 0.14670E+01 ppm1 1.271 ppm2 2.108
ASSI (
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)(
(( segid " " and resid 1117 and name HD21))
)
5.000 5.000 0.000 peak 9203 weight 0.10000E+01 volume 0.42700E+00 ppm1 2.499 ppm2 7.430
ASSI (
(( segid " " and resid 1117 and name HA ))
)(
(( segid " " and resid 1117 and name HD21))
)
5.000 5.000 0.000 peak 7110 weight 0.10000E+01 volume -0.49900E+00 ppm1 3.781 ppm2 7.421
ASSI (
(( segid " " and resid 1117 and name HA ))
)(
(( segid " " and resid 1117 and name HD22))
)
6.000 6.000 0.000 peak 7112 weight 0.10000E+01 volume -0.25700E+00 ppm1 3.787 ppm2 6.648
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1118 and name HA1 ))
)
5.000 5.000 0.000 peak 6976 weight 0.10000E+01 volume 0.95800E+00 ppm1 0.196 ppm2 4.527
ASSI (
(( segid " " and resid 1118 and name HA2 ))
)(
(( segid " " and resid 1118 and name HA1 ))
)
3.300 3.300 0.000 peak 7105 weight 0.10000E+01 volume -0.19500E+01 ppm1 3.838 ppm2 4.539
ASSI (
(( segid " " and resid 1138 and name HA ))
)(
(( segid " " and resid 1118 and name HA1 ))
)
5.000 5.000 0.000 peak 6342 weight 0.10000E+01 volume -0.12160E+01 ppm1 5.142 ppm2 4.537
ASSI (
(( segid " " and resid 1138 and name HA ))
)(
(( segid " " and resid 1118 and name HA2 ))
)
5.000 5.000 0.000 peak 6344 weight 0.10000E+01 volume -0.74900E+00 ppm1 5.140 ppm2 3.839
ASSI (
(( segid " " and resid 1138 and name HA ))
)(
(( segid " " and resid 1119 and name HN ))
)
5.000 5.000 0.000 peak 6347 weight 0.10000E+01 volume -0.44700E+00 ppm1 5.139 ppm2 8.557
ASSI (
(( segid " " and resid 1120 and name HB ))
)(
(( segid " " and resid 1120 and name HA ))
)
5.000 5.000 0.000 peak 6581 weight 0.10000E+01 volume 0.11280E+01 ppm1 1.503 ppm2 4.731
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1120 and name HA ))
)
5.000 5.000 0.000 peak 6406 weight 0.10000E+01 volume 0.12980E+01 ppm1 0.106 ppm2 4.734
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1120 and name HA ))
)
3.300 3.300 0.000 peak 6444 weight 0.10000E+01 volume -0.17670E+01 ppm1 4.994 ppm2 4.733
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1120 and name HB ))
)
6.000 6.000 0.000 peak 6442 weight 0.10000E+01 volume -0.37000E+00 ppm1 4.994 ppm2 1.513
ASSI (
(( segid " " and resid 1120 and name HB ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
5.000 5.000 0.000 peak 9178 weight 0.10000E+01 volume 0.11080E+01 ppm1 1.502 ppm2 0.502
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
3.300 3.300 0.000 peak 6412 weight 0.10000E+01 volume 0.28440E+01 ppm1 0.107 ppm2 0.495
ASSI (
(( segid " " and resid 1124 and name HA ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
5.000 5.000 0.000 peak 7069 weight 0.10000E+01 volume -0.84900E+00 ppm1 4.268 ppm2 0.502
ASSI (
(( segid " " and resid 1124 and name HB2 ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
6.000 6.000 0.000 peak 9149 weight 0.10000E+01 volume 0.29300E+00 ppm1 1.896 ppm2 0.498
ASSI (
(( segid " " and resid 1124 and name HD1 ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
6.000 6.000 0.000 peak 9485 weight 0.10000E+01 volume -0.23800E+00 ppm1 3.738 ppm2 0.495
ASSI (
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
5.000 5.000 0.000 peak 9492 weight 0.10000E+01 volume 0.52200E+00 ppm1 1.878 ppm2 0.500
ASSI (
(( segid " " and resid 1120 and name HG12))
)(
(( segid " " and resid 1120 and name HG11))
)
3.300 3.300 0.000 peak 9500 weight 0.10000E+01 volume 0.23070E+01 ppm1 0.758 ppm2 1.415
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1120 and name HG11))
)
5.000 5.000 0.000 peak 7768 weight 0.10000E+01 volume 0.52800E+00 ppm1 0.099 ppm2 1.406
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 7772 weight 0.10000E+01 volume 0.54600E+00 ppm1 0.100 ppm2 0.770
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 6398 weight 0.10000E+01 volume -0.47300E+00 ppm1 5.002 ppm2 0.103
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
2.700 2.700 0.000 peak 7085 weight 0.10000E+01 volume 0.44180E+01 ppm1 0.500 ppm2 0.104
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 6440 weight 0.10000E+01 volume -0.52200E+00 ppm1 4.993 ppm2 0.107
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1120 and name HN ))
)
2.700 2.700 0.000 peak 6387 weight 0.10000E+01 volume -0.47420E+01 ppm1 5.006 ppm2 8.526
ASSI (
(( segid " " and resid 1120 and name HB ))
)(
(( segid " " and resid 1120 and name HN ))
)
6.000 6.000 0.000 peak 9183 weight 0.10000E+01 volume 0.32500E+00 ppm1 1.503 ppm2 8.520
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1120 and name HN ))
)
5.000 5.000 0.000 peak 6401 weight 0.10000E+01 volume 0.95700E+00 ppm1 0.105 ppm2 8.518
ASSI (
(( segid " " and resid 1121 and name HB ))
)(
(( segid " " and resid 1121 and name HA ))
)
3.300 3.300 0.000 peak 7097 weight 0.10000E+01 volume -0.23830E+01 ppm1 4.432 ppm2 4.159
ASSI (
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)(
(( segid " " and resid 1121 and name HA ))
)
3.300 3.300 0.000 peak 6460 weight 0.10000E+01 volume 0.16680E+01 ppm1 0.967 ppm2 4.155
ASSI (
(( segid " " and resid 1121 and name HB ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
2.700 2.700 0.000 peak 7100 weight 0.10000E+01 volume -0.34180E+01 ppm1 4.430 ppm2 0.976
ASSI (
(( segid " " and resid 1135 and name HG2 ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 9493 weight 0.10000E+01 volume 0.22800E+00 ppm1 2.063 ppm2 0.962
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 6441 weight 0.10000E+01 volume -0.43500E+00 ppm1 4.992 ppm2 0.978
ASSI (
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 9176 weight 0.10000E+01 volume 0.53300E+00 ppm1 2.240 ppm2 0.973
ASSI (
(( segid " " and resid 1120 and name HA ))
)(
(( segid " " and resid 1121 and name HN ))
)
3.300 3.300 0.000 peak 6571 weight 0.10000E+01 volume -0.16810E+01 ppm1 4.737 ppm2 8.273
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 6402 weight 0.10000E+01 volume 0.78400E+00 ppm1 0.106 ppm2 8.273
ASSI (
(( segid " " and resid 1121 and name HA ))
)(
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 7096 weight 0.10000E+01 volume -0.15300E+01 ppm1 4.159 ppm2 8.272
ASSI (
(( segid " " and resid 1121 and name HB ))
)(
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 7099 weight 0.10000E+01 volume -0.46400E+00 ppm1 4.435 ppm2 8.279
ASSI (
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)(
(( segid " " and resid 1121 and name HN ))
)
3.300 3.300 0.000 peak 6461 weight 0.10000E+01 volume 0.16670E+01 ppm1 0.968 ppm2 8.272
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 6446 weight 0.10000E+01 volume -0.59200E+00 ppm1 4.993 ppm2 8.272
ASSI (
(( segid " " and resid 1122 and name HB1 ))
)(
(( segid " " and resid 1122 and name HA ))
)
3.300 3.300 0.000 peak 9169 weight 0.10000E+01 volume -0.21200E+01 ppm1 3.969 ppm2 4.641
ASSI (
(( segid " " and resid 1122 and name HB2 ))
)(
(( segid " " and resid 1122 and name HA ))
)
3.300 3.300 0.000 peak 9170 weight 0.10000E+01 volume -0.24130E+01 ppm1 3.830 ppm2 4.642
ASSI (
(( segid " " and resid 1121 and name HA ))
)(
(( segid " " and resid 1122 and name HN ))
)
5.000 5.000 0.000 peak 7095 weight 0.10000E+01 volume -0.53300E+00 ppm1 4.159 ppm2 7.078
ASSI (
(( segid " " and resid 1123 and name HB1 ))
)(
(( segid " " and resid 1123 and name HA ))
)
5.000 5.000 0.000 peak 9154 weight 0.10000E+01 volume 0.14680E+01 ppm1 3.068 ppm2 4.686
ASSI (
(( segid " " and resid 1123 and name HB2 ))
)(
(( segid " " and resid 1123 and name HA ))
)
3.300 3.300 0.000 peak 9155 weight 0.10000E+01 volume 0.18620E+01 ppm1 3.032 ppm2 4.686
ASSI (
(( segid " " and resid 1124 and name HD1 ))
)(
(( segid " " and resid 1123 and name HA ))
)
3.300 3.300 0.000 peak 9483 weight 0.10000E+01 volume -0.25220E+01 ppm1 3.736 ppm2 4.687
ASSI (
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1123 and name HA ))
)
5.000 5.000 0.000 peak 7090 weight 0.10000E+01 volume 0.55900E+00 ppm1 1.874 ppm2 4.683
ASSI (
(( segid " " and resid 1123 and name HA ))
)(
(( segid " " and resid 1123 and name HB2 ))
OR
(( segid " " and resid 1123 and name HB1 ))
)
2.700 2.700 0.000 peak 7058 weight 0.10000E+01 volume -0.31070E+01 ppm1 4.686 ppm2 3.047
ASSI (
(( segid " " and resid 1123 and name HD2 ))
OR
(( segid " " and resid 1123 and name HD1 ))
)(
(( segid " " and resid 1123 and name HB2 ))
OR
(( segid " " and resid 1123 and name HB1 ))
)
5.000 5.000 0.000 peak 9157 weight 0.10000E+01 volume -0.40000E+00 ppm1 7.262 ppm2 3.050
ASSI (
(( segid " " and resid 1123 and name HB1 ))
)(
(( segid " " and resid 1123 and name HD2 ))
OR
(( segid " " and resid 1123 and name HD1 ))
)
5.000 5.000 0.000 peak 9159 weight 0.10000E+01 volume 0.67400E+00 ppm1 3.073 ppm2 7.261
ASSI (
(( segid " " and resid 1123 and name HB2 ))
)(
(( segid " " and resid 1123 and name HD2 ))
OR
(( segid " " and resid 1123 and name HD1 ))
)
5.000 5.000 0.000 peak 9161 weight 0.10000E+01 volume 0.55800E+00 ppm1 3.030 ppm2 7.264
ASSI (
(( segid " " and resid 1124 and name HD1 ))
)(
(( segid " " and resid 1123 and name HD2 ))
OR
(( segid " " and resid 1123 and name HD1 ))
)
6.000 6.000 0.000 peak 9484 weight 0.10000E+01 volume -0.14700E+00 ppm1 3.732 ppm2 7.265
ASSI (
(( segid " " and resid 1123 and name HB1 ))
)(
(( segid " " and resid 1123 and name HN ))
)
3.300 3.300 0.000 peak 9163 weight 0.10000E+01 volume 0.19030E+01 ppm1 3.073 ppm2 8.301
ASSI (
(( segid " " and resid 1123 and name HB2 ))
)(
(( segid " " and resid 1123 and name HN ))
)
3.300 3.300 0.000 peak 9162 weight 0.10000E+01 volume 0.16440E+01 ppm1 3.027 ppm2 8.304
ASSI (
(( segid " " and resid 1124 and name HB1 ))
)(
(( segid " " and resid 1124 and name HA ))
)
5.000 5.000 0.000 peak 7086 weight 0.10000E+01 volume 0.71900E+00 ppm1 2.110 ppm2 4.264
ASSI (
(( segid " " and resid 1124 and name HB2 ))
)(
(( segid " " and resid 1124 and name HA ))
)
5.000 5.000 0.000 peak 7087 weight 0.10000E+01 volume 0.53900E+00 ppm1 1.894 ppm2 4.263
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1124 and name HB1 ))
)
5.000 5.000 0.000 peak 7078 weight 0.10000E+01 volume 0.64000E+00 ppm1 0.501 ppm2 2.109
ASSI (
(( segid " " and resid 1124 and name HD1 ))
)(
(( segid " " and resid 1124 and name HB1 ))
)
5.000 5.000 0.000 peak 9482 weight 0.10000E+01 volume -0.41400E+00 ppm1 3.740 ppm2 2.089
ASSI (
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1124 and name HB1 ))
)
3.300 3.300 0.000 peak 7091 weight 0.10000E+01 volume 0.27330E+01 ppm1 1.870 ppm2 2.107
ASSI (
(( segid " " and resid 1124 and name HD2 ))
)(
(( segid " " and resid 1124 and name HD1 ))
)
2.700 2.700 0.000 peak 9165 weight 0.10000E+01 volume -0.39690E+01 ppm1 2.977 ppm2 3.742
ASSI (
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1124 and name HD1 ))
)
3.300 3.300 0.000 peak 9489 weight 0.10000E+01 volume 0.17730E+01 ppm1 1.873 ppm2 3.744
ASSI (
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1124 and name HD2 ))
)
3.300 3.300 0.000 peak 9477 weight 0.10000E+01 volume 0.26780E+01 ppm1 1.873 ppm2 2.970
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1125 and name HA ))
)
3.300 3.300 0.000 peak 9481 weight 0.10000E+01 volume 0.22460E+01 ppm1 0.880 ppm2 4.583
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
6.000 6.000 0.000 peak 9118 weight 0.10000E+01 volume -0.34700E+00 ppm1 6.820 ppm2 0.701
ASSI (
(( segid " " and resid 1124 and name HB2 ))
)(
(( segid " " and resid 1125 and name HN ))
)
6.000 6.000 0.000 peak 9153 weight 0.10000E+01 volume 0.30600E+00 ppm1 1.903 ppm2 7.737
ASSI (
(( segid " " and resid 1111 and name HG1 ))
)(
(( segid " " and resid 1126 and name HA ))
)
5.000 5.000 0.000 peak 7241 weight 0.10000E+01 volume 0.62900E+00 ppm1 2.215 ppm2 4.382
ASSI (
(( segid " " and resid 1111 and name HG2 ))
)(
(( segid " " and resid 1126 and name HA ))
)
5.000 5.000 0.000 peak 2617 weight 0.10000E+01 volume 0.67500E+00 ppm1 2.181 ppm2 4.383
ASSI (
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)(
(( segid " " and resid 1126 and name HA ))
)
2.700 2.700 0.000 peak 9057 weight 0.10000E+01 volume -0.67710E+01 ppm1 3.903 ppm2 4.387
ASSI (
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)(
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)
6.000 6.000 0.000 peak 9472 weight 0.10000E+01 volume 0.29200E+00 ppm1 0.804 ppm2 3.912
ASSI (
(( segid " " and resid 1127 and name HB ))
)(
(( segid " " and resid 1127 and name HA ))
)
5.000 5.000 0.000 peak 6585 weight 0.10000E+01 volume 0.14760E+01 ppm1 1.878 ppm2 4.720
ASSI (
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
3.300 3.300 0.000 peak 9147 weight 0.10000E+01 volume 0.22330E+01 ppm1 1.551 ppm2 0.827
ASSI (
(( segid " " and resid 1127 and name HB ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
2.700 2.700 0.000 peak 9125 weight 0.10000E+01 volume 0.38880E+01 ppm1 1.877 ppm2 0.829
ASSI (
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)(
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
5.000 5.000 0.000 peak 7968 weight 0.10000E+01 volume -0.15090E+01 ppm1 3.901 ppm2 0.844
ASSI (
(( segid " " and resid 1125 and name HB1 ))
)(
(( segid " " and resid 1127 and name HN ))
)
5.000 5.000 0.000 peak 9139 weight 0.10000E+01 volume 0.43700E+00 ppm1 1.265 ppm2 6.984
ASSI (
(( segid " " and resid 1126 and name HA ))
)(
(( segid " " and resid 1127 and name HN ))
)
5.000 5.000 0.000 peak 3561 weight 0.10000E+01 volume -0.46100E+00 ppm1 4.392 ppm2 6.996
ASSI (
(( segid " " and resid 1127 and name HA ))
)(
(( segid " " and resid 1127 and name HN ))
)
5.000 5.000 0.000 peak 6583 weight 0.10000E+01 volume -0.66300E+00 ppm1 4.718 ppm2 6.985
ASSI (
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)(
(( segid " " and resid 1127 and name HN ))
)
6.000 6.000 0.000 peak 9464 weight 0.10000E+01 volume 0.39000E+00 ppm1 0.854 ppm2 6.988
ASSI (
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)(
(( segid " " and resid 1127 and name HN ))
)
5.000 5.000 0.000 peak 9474 weight 0.10000E+01 volume 0.46200E+00 ppm1 0.805 ppm2 6.985
ASSI (
(( segid " " and resid 1128 and name HA ))
)(
(( segid " " and resid 1128 and name HB1 ))
)
5.000 5.000 0.000 peak 1863 weight 0.10000E+01 volume -0.62900E+00 ppm1 4.579 ppm2 2.966
ASSI (
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)(
(( segid " " and resid 1128 and name HB1 ))
)
6.000 6.000 0.000 peak 9113 weight 0.10000E+01 volume -0.28300E+00 ppm1 7.115 ppm2 2.956
ASSI (
(( segid " " and resid 1157 and name HZ2 ))
)(
(( segid " " and resid 1128 and name HB1 ))
)
6.000 6.000 0.000 peak 2132 weight 0.10000E+01 volume 0.24200E+00 ppm1 6.543 ppm2 2.943
ASSI (
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)(
(( segid " " and resid 1128 and name HB2 ))
)
6.000 6.000 0.000 peak 9114 weight 0.10000E+01 volume -0.19100E+00 ppm1 7.124 ppm2 2.505
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 7295 weight 0.10000E+01 volume -0.22300E+00 ppm1 3.537 ppm2 7.116
ASSI (
(( segid " " and resid 1127 and name HA ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 6582 weight 0.10000E+01 volume -0.32900E+00 ppm1 4.717 ppm2 7.115
ASSI (
(( segid " " and resid 1128 and name HA ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
5.000 5.000 0.000 peak 7033 weight 0.10000E+01 volume -0.52900E+00 ppm1 4.575 ppm2 7.113
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
5.000 5.000 0.000 peak 8108 weight 0.10000E+01 volume -0.12000E+01 ppm1 6.820 ppm2 7.123
ASSI (
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 9053 weight 0.10000E+01 volume 0.25900E+00 ppm1 0.578 ppm2 7.111
ASSI (
(( segid " " and resid 1111 and name HB1 ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
6.000 6.000 0.000 peak 7260 weight 0.10000E+01 volume 0.27000E+00 ppm1 2.522 ppm2 6.818
ASSI (
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
5.000 5.000 0.000 peak 9109 weight 0.10000E+01 volume -0.63800E+00 ppm1 7.114 ppm2 6.818
ASSI (
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
5.000 5.000 0.000 peak 9052 weight 0.10000E+01 volume 0.10500E+01 ppm1 0.578 ppm2 6.818
ASSI (
(( segid " " and resid 1127 and name HB ))
)(
(( segid " " and resid 1128 and name HN ))
)
6.000 6.000 0.000 peak 9127 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.878 ppm2 8.957
ASSI (
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)(
(( segid " " and resid 1128 and name HN ))
)
5.000 5.000 0.000 peak 9466 weight 0.10000E+01 volume 0.40500E+00 ppm1 0.849 ppm2 8.961
ASSI (
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)(
(( segid " " and resid 1128 and name HN ))
)
5.000 5.000 0.000 peak 9470 weight 0.10000E+01 volume 0.52800E+00 ppm1 0.803 ppm2 8.959
ASSI (
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)(
(( segid " " and resid 1129 and name HA ))
)
2.700 2.700 0.000 peak 7027 weight 0.10000E+01 volume 0.31960E+01 ppm1 1.387 ppm2 4.351
ASSI (
(( segid " " and resid 1130 and name HD1 ))
)(
(( segid " " and resid 1129 and name HA ))
)
3.300 3.300 0.000 peak 7023 weight 0.10000E+01 volume -0.16780E+01 ppm1 3.653 ppm2 4.348
ASSI (
(( segid " " and resid 1130 and name HD2 ))
)(
(( segid " " and resid 1129 and name HA ))
)
3.300 3.300 0.000 peak 7024 weight 0.10000E+01 volume -0.20100E+01 ppm1 3.403 ppm2 4.348
ASSI (
(( segid " " and resid 1130 and name HG2 ))
)(
(( segid " " and resid 1129 and name HA ))
)
5.000 5.000 0.000 peak 7026 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.903 ppm2 4.337
ASSI (
(( segid " " and resid 1130 and name HD1 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
3.300 3.300 0.000 peak 9101 weight 0.10000E+01 volume -0.18180E+01 ppm1 3.656 ppm2 1.389
ASSI (
(( segid " " and resid 1130 and name HD2 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
5.000 5.000 0.000 peak 9102 weight 0.10000E+01 volume -0.13470E+01 ppm1 3.404 ppm2 1.389
ASSI (
(( segid " " and resid 1130 and name HG1 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
5.000 5.000 0.000 peak 9103 weight 0.10000E+01 volume 0.48400E+00 ppm1 2.029 ppm2 1.383
ASSI (
(( segid " " and resid 1130 and name HG2 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
5.000 5.000 0.000 peak 9104 weight 0.10000E+01 volume 0.76700E+00 ppm1 1.905 ppm2 1.383
ASSI (
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)(
(( segid " " and resid 1129 and name HN ))
)
3.300 3.300 0.000 peak 9098 weight 0.10000E+01 volume 0.29570E+01 ppm1 1.385 ppm2 8.330
ASSI (
(( segid " " and resid 1130 and name HG1 ))
)(
(( segid " " and resid 1130 and name HA ))
)
6.000 6.000 0.000 peak 9454 weight 0.10000E+01 volume 0.35300E+00 ppm1 2.029 ppm2 3.969
ASSI (
(( segid " " and resid 1130 and name HG2 ))
)(
(( segid " " and resid 1130 and name HA ))
)
5.000 5.000 0.000 peak 9455 weight 0.10000E+01 volume 0.56200E+00 ppm1 1.900 ppm2 3.963
ASSI (
(( segid " " and resid 1130 and name HA ))
)(
(( segid " " and resid 1130 and name HB1 ))
)
3.300 3.300 0.000 peak 7010 weight 0.10000E+01 volume -0.22020E+01 ppm1 3.961 ppm2 2.294
ASSI (
(( segid " " and resid 1130 and name HG1 ))
)(
(( segid " " and resid 1130 and name HB1 ))
)
5.000 5.000 0.000 peak 9456 weight 0.10000E+01 volume 0.15140E+01 ppm1 2.027 ppm2 2.285
ASSI (
(( segid " " and resid 1130 and name HG2 ))
)(
(( segid " " and resid 1130 and name HB1 ))
)
3.300 3.300 0.000 peak 9457 weight 0.10000E+01 volume 0.16060E+01 ppm1 1.899 ppm2 2.285
ASSI (
(( segid " " and resid 1107 and name HA1 ))
)(
(( segid " " and resid 1130 and name HB2 ))
)
5.000 5.000 0.000 peak 9246 weight 0.10000E+01 volume -0.42300E+00 ppm1 3.805 ppm2 1.894
ASSI (
(( segid " " and resid 1130 and name HA ))
)(
(( segid " " and resid 1130 and name HB2 ))
)
3.300 3.300 0.000 peak 7011 weight 0.10000E+01 volume -0.16500E+01 ppm1 3.960 ppm2 1.893
ASSI (
(( segid " " and resid 1130 and name HG1 ))
)(
(( segid " " and resid 1130 and name HD2 ))
)
5.000 5.000 0.000 peak 9449 weight 0.10000E+01 volume 0.98700E+00 ppm1 2.031 ppm2 3.412
ASSI (
(( segid " " and resid 1130 and name HG2 ))
)(
(( segid " " and resid 1130 and name HD2 ))
)
5.000 5.000 0.000 peak 9451 weight 0.10000E+01 volume 0.10630E+01 ppm1 1.899 ppm2 3.412
ASSI (
(( segid " " and resid 1130 and name HD1 ))
)(
(( segid " " and resid 1130 and name HG1 ))
)
3.300 3.300 0.000 peak 9655 weight 0.10000E+01 volume -0.20500E+01 ppm1 3.660 ppm2 2.025
ASSI (
(( segid " " and resid 1130 and name HD1 ))
)(
(( segid " " and resid 1130 and name HG2 ))
)
3.300 3.300 0.000 peak 9654 weight 0.10000E+01 volume -0.25040E+01 ppm1 3.659 ppm2 1.896
ASSI (
(( segid " " and resid 1131 and name HB3 ))
OR
(( segid " " and resid 1131 and name HB2 ))
OR
(( segid " " and resid 1131 and name HB1 ))
)(
(( segid " " and resid 1131 and name HA ))
)
2.700 2.700 0.000 peak 7006 weight 0.10000E+01 volume 0.36760E+01 ppm1 1.615 ppm2 3.811
ASSI (
(( segid " " and resid 1131 and name HB3 ))
OR
(( segid " " and resid 1131 and name HB2 ))
OR
(( segid " " and resid 1131 and name HB1 ))
)(
(( segid " " and resid 1131 and name HN ))
)
5.000 5.000 0.000 peak 7007 weight 0.10000E+01 volume 0.70200E+00 ppm1 1.616 ppm2 9.011
ASSI (
(( segid " " and resid 1132 and name HB1 ))
)(
(( segid " " and resid 1132 and name HA ))
)
5.000 5.000 0.000 peak 9067 weight 0.10000E+01 volume -0.11820E+01 ppm1 4.203 ppm2 4.560
ASSI (
(( segid " " and resid 1132 and name HB2 ))
)(
(( segid " " and resid 1132 and name HA ))
)
5.000 5.000 0.000 peak 9069 weight 0.10000E+01 volume -0.95700E+00 ppm1 4.029 ppm2 4.556
ASSI (
(( segid " " and resid 1131 and name HA ))
)(
(( segid " " and resid 1132 and name HN ))
)
5.000 5.000 0.000 peak 7002 weight 0.10000E+01 volume -0.41700E+00 ppm1 3.809 ppm2 7.860
ASSI (
(( segid " " and resid 1132 and name HB1 ))
)(
(( segid " " and resid 1132 and name HN ))
)
5.000 5.000 0.000 peak 9076 weight 0.10000E+01 volume -0.41700E+00 ppm1 4.205 ppm2 7.858
ASSI (
(( segid " " and resid 1152 and name HB1 ))
)(
(( segid " " and resid 1132 and name HN ))
)
6.000 6.000 0.000 peak 8846 weight 0.10000E+01 volume 0.29900E+00 ppm1 2.328 ppm2 7.860
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1133 and name HA ))
)
5.000 5.000 0.000 peak 6240 weight 0.10000E+01 volume -0.12850E+01 ppm1 3.822 ppm2 6.022
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1133 and name HA ))
)
5.000 5.000 0.000 peak 6239 weight 0.10000E+01 volume -0.11380E+01 ppm1 3.755 ppm2 6.022
ASSI (
(( segid " " and resid 1151 and name HA ))
)(
(( segid " " and resid 1133 and name HA ))
)
5.000 5.000 0.000 peak 6236 weight 0.10000E+01 volume -0.82200E+00 ppm1 5.437 ppm2 6.022
ASSI (
(( segid " " and resid 1151 and name HA ))
)(
(( segid " " and resid 1133 and name HB1 ))
)
6.000 6.000 0.000 peak 6258 weight 0.10000E+01 volume -0.35500E+00 ppm1 5.433 ppm2 3.820
ASSI (
(( segid " " and resid 1132 and name HA ))
)(
(( segid " " and resid 1133 and name HN ))
)
2.700 2.700 0.000 peak 9064 weight 0.10000E+01 volume -0.39390E+01 ppm1 4.566 ppm2 8.483
ASSI (
(( segid " " and resid 1132 and name HB1 ))
)(
(( segid " " and resid 1133 and name HN ))
)
5.000 5.000 0.000 peak 9078 weight 0.10000E+01 volume -0.59200E+00 ppm1 4.205 ppm2 8.486
ASSI (
(( segid " " and resid 1132 and name HB2 ))
)(
(( segid " " and resid 1133 and name HN ))
)
5.000 5.000 0.000 peak 9079 weight 0.10000E+01 volume -0.56500E+00 ppm1 4.031 ppm2 8.487
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1134 and name HA ))
)
5.000 5.000 0.000 peak 7765 weight 0.10000E+01 volume 0.40300E+00 ppm1 0.102 ppm2 4.384
ASSI (
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)(
(( segid " " and resid 1134 and name HB ))
)
2.700 2.700 0.000 peak 8966 weight 0.10000E+01 volume 0.31730E+01 ppm1 0.577 ppm2 1.571
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
5.000 5.000 0.000 peak 6411 weight 0.10000E+01 volume 0.13170E+01 ppm1 0.105 ppm2 0.584
ASSI (
(( segid " " and resid 1134 and name HA ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
3.300 3.300 0.000 peak 3526 weight 0.10000E+01 volume -0.16540E+01 ppm1 4.390 ppm2 0.583
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
2.700 2.700 0.000 peak 7770 weight 0.10000E+01 volume 0.36750E+01 ppm1 0.099 ppm2 0.584
ASSI (
(( segid " " and resid 1134 and name HB ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)
3.300 3.300 0.000 peak 8173 weight 0.10000E+01 volume 0.16020E+01 ppm1 1.578 ppm2 0.101
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)
6.000 6.000 0.000 peak 8858 weight 0.10000E+01 volume 0.20500E+00 ppm1 0.755 ppm2 0.101
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1135 and name HB1 ))
)
5.000 5.000 0.000 peak 6280 weight 0.10000E+01 volume -0.73700E+00 ppm1 5.357 ppm2 1.849
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1135 and name HB2 ))
)
5.000 5.000 0.000 peak 6281 weight 0.10000E+01 volume -0.10780E+01 ppm1 5.358 ppm2 1.736
ASSI (
(( segid " " and resid 1149 and name HA ))
)(
(( segid " " and resid 1135 and name HG2 ))
)
5.000 5.000 0.000 peak 6267 weight 0.10000E+01 volume -0.43900E+00 ppm1 5.394 ppm2 2.068
ASSI (
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)(
(( segid " " and resid 1136 and name HA ))
)
5.000 5.000 0.000 peak 6451 weight 0.10000E+01 volume 0.51700E+00 ppm1 2.454 ppm2 4.990
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
5.000 5.000 0.000 peak 9048 weight 0.10000E+01 volume 0.12560E+01 ppm1 0.195 ppm2 2.459
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
5.000 5.000 0.000 peak 7694 weight 0.10000E+01 volume -0.13640E+01 ppm1 6.599 ppm2 2.455
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
5.000 5.000 0.000 peak 7703 weight 0.10000E+01 volume 0.10270E+01 ppm1 0.199 ppm2 6.598
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 7705 weight 0.10000E+01 volume 0.34200E+00 ppm1 0.438 ppm2 6.599
ASSI (
(( segid " " and resid 1119 and name HA ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 6389 weight 0.10000E+01 volume -0.24400E+00 ppm1 5.007 ppm2 6.597
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 6404 weight 0.10000E+01 volume 0.34700E+00 ppm1 0.106 ppm2 6.585
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 7702 weight 0.10000E+01 volume 0.20600E+00 ppm1 0.101 ppm2 6.585
ASSI (
(( segid " " and resid 1135 and name HA ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 6276 weight 0.10000E+01 volume -0.28700E+00 ppm1 5.356 ppm2 6.600
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 6445 weight 0.10000E+01 volume -0.30300E+00 ppm1 4.997 ppm2 6.606
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
3.300 3.300 0.000 peak 7709 weight 0.10000E+01 volume -0.17910E+01 ppm1 6.434 ppm2 6.599
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 7706 weight 0.10000E+01 volume 0.29600E+00 ppm1 0.759 ppm2 6.605
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
5.000 5.000 0.000 peak 8893 weight 0.10000E+01 volume 0.55800E+00 ppm1 0.435 ppm2 6.437
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
5.000 5.000 0.000 peak 6405 weight 0.10000E+01 volume 0.41300E+00 ppm1 0.106 ppm2 6.436
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 7737 weight 0.10000E+01 volume 0.37500E+00 ppm1 0.101 ppm2 6.432
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
5.000 5.000 0.000 peak 7692 weight 0.10000E+01 volume -0.14010E+01 ppm1 6.601 ppm2 6.441
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
5.000 5.000 0.000 peak 7707 weight 0.10000E+01 volume 0.65700E+00 ppm1 0.758 ppm2 6.438
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1136 and name HN ))
)
5.000 5.000 0.000 peak 6447 weight 0.10000E+01 volume -0.42600E+00 ppm1 4.994 ppm2 8.383
ASSI (
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)(
(( segid " " and resid 1136 and name HN ))
)
5.000 5.000 0.000 peak 6453 weight 0.10000E+01 volume 0.46800E+00 ppm1 2.454 ppm2 8.378
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1136 and name HN ))
)
5.000 5.000 0.000 peak 7689 weight 0.10000E+01 volume -0.45100E+00 ppm1 6.600 ppm2 8.377
ASSI (
(( segid " " and resid 1137 and name HB2 ))
)(
(( segid " " and resid 1137 and name HA ))
)
5.000 5.000 0.000 peak 9044 weight 0.10000E+01 volume 0.89500E+00 ppm1 1.796 ppm2 4.526
ASSI (
(( segid " " and resid 1138 and name HB2 ))
)(
(( segid " " and resid 1137 and name HA ))
)
6.000 6.000 0.000 peak 9039 weight 0.10000E+01 volume 0.27800E+00 ppm1 2.535 ppm2 4.543
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1137 and name HA ))
)
5.000 5.000 0.000 peak 8529 weight 0.10000E+01 volume 0.77700E+00 ppm1 0.759 ppm2 4.528
ASSI (
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)(
(( segid " " and resid 1137 and name HB1 ))
)
3.300 3.300 0.000 peak 6465 weight 0.10000E+01 volume 0.16290E+01 ppm1 0.969 ppm2 1.891
ASSI (
(( segid " " and resid 1137 and name HA ))
)(
(( segid " " and resid 1137 and name HB1 ))
)
3.300 3.300 0.000 peak 6965 weight 0.10000E+01 volume -0.17400E+01 ppm1 4.529 ppm2 1.897
ASSI (
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)(
(( segid " " and resid 1137 and name HB2 ))
)
3.300 3.300 0.000 peak 6466 weight 0.10000E+01 volume 0.20590E+01 ppm1 0.970 ppm2 1.786
ASSI (
(( segid " " and resid 1120 and name HA ))
)(
(( segid " " and resid 1137 and name HN ))
)
5.000 5.000 0.000 peak 6574 weight 0.10000E+01 volume -0.58300E+00 ppm1 4.740 ppm2 8.792
ASSI (
(( segid " " and resid 1142 and name HB2 ))
)(
(( segid " " and resid 1138 and name HB1 ))
)
6.000 6.000 0.000 peak 8982 weight 0.10000E+01 volume 0.30200E+00 ppm1 2.269 ppm2 2.970
ASSI (
(( segid " " and resid 1138 and name HA ))
)(
(( segid " " and resid 1138 and name HB2 ))
)
5.000 5.000 0.000 peak 6349 weight 0.10000E+01 volume -0.67200E+00 ppm1 5.138 ppm2 2.548
ASSI (
(( segid " " and resid 1139 and name HG1 ))
)(
(( segid " " and resid 1139 and name HA ))
)
5.000 5.000 0.000 peak 9032 weight 0.10000E+01 volume 0.93900E+00 ppm1 2.286 ppm2 4.111
ASSI (
(( segid " " and resid 1139 and name HG2 ))
)(
(( segid " " and resid 1139 and name HA ))
)
5.000 5.000 0.000 peak 9033 weight 0.10000E+01 volume 0.67400E+00 ppm1 2.167 ppm2 4.108
ASSI (
(( segid " " and resid 1140 and name HA ))
)(
(( segid " " and resid 1139 and name HA ))
)
5.000 5.000 0.000 peak 8272 weight 0.10000E+01 volume -0.49900E+00 ppm1 4.378 ppm2 4.111
ASSI (
(( segid " " and resid 1140 and name HB1 ))
)(
(( segid " " and resid 1139 and name HA ))
)
5.000 5.000 0.000 peak 8156 weight 0.10000E+01 volume 0.47800E+00 ppm1 2.817 ppm2 4.108
ASSI (
(( segid " " and resid 1140 and name HB2 ))
)(
(( segid " " and resid 1139 and name HA ))
)
6.000 6.000 0.000 peak 8157 weight 0.10000E+01 volume 0.37600E+00 ppm1 2.675 ppm2 4.105
ASSI (
(( segid " " and resid 1139 and name HA ))
)(
(( segid " " and resid 1139 and name HB1 ))
)
3.300 3.300 0.000 peak 9022 weight 0.10000E+01 volume -0.18440E+01 ppm1 4.107 ppm2 1.926
ASSI (
(( segid " " and resid 1139 and name HG1 ))
)(
(( segid " " and resid 1139 and name HB1 ))
)
3.300 3.300 0.000 peak 9432 weight 0.10000E+01 volume 0.27640E+01 ppm1 2.285 ppm2 1.922
ASSI (
(( segid " " and resid 1139 and name HG2 ))
)(
(( segid " " and resid 1139 and name HB1 ))
)
3.300 3.300 0.000 peak 9431 weight 0.10000E+01 volume 0.19790E+01 ppm1 2.165 ppm2 1.924
ASSI (
(( segid " " and resid 1139 and name HA ))
)(
(( segid " " and resid 1139 and name HB2 ))
)
5.000 5.000 0.000 peak 9027 weight 0.10000E+01 volume -0.10820E+01 ppm1 4.106 ppm2 1.609
ASSI (
(( segid " " and resid 1139 and name HG2 ))
)(
(( segid " " and resid 1139 and name HB2 ))
)
5.000 5.000 0.000 peak 9429 weight 0.10000E+01 volume 0.12800E+01 ppm1 2.164 ppm2 1.615
ASSI (
(( segid " " and resid 1139 and name HG2 ))
)(
(( segid " " and resid 1139 and name HE21))
)
6.000 6.000 0.000 peak 8793 weight 0.10000E+01 volume 0.37700E+00 ppm1 2.168 ppm2 7.394
ASSI (
(( segid " " and resid 1139 and name HB1 ))
)(
(( segid " " and resid 1139 and name HE22))
)
6.000 6.000 0.000 peak 9035 weight 0.10000E+01 volume 0.24500E+00 ppm1 1.930 ppm2 6.673
ASSI (
(( segid " " and resid 1118 and name HA2 ))
)(
(( segid " " and resid 1139 and name HN ))
)
5.000 5.000 0.000 peak 7103 weight 0.10000E+01 volume -0.45400E+00 ppm1 3.837 ppm2 8.365
ASSI (
(( segid " " and resid 1138 and name HB2 ))
)(
(( segid " " and resid 1139 and name HN ))
)
5.000 5.000 0.000 peak 9040 weight 0.10000E+01 volume 0.42900E+00 ppm1 2.536 ppm2 8.345
ASSI (
(( segid " " and resid 1139 and name HA ))
)(
(( segid " " and resid 1139 and name HN ))
)
5.000 5.000 0.000 peak 9030 weight 0.10000E+01 volume -0.84400E+00 ppm1 4.103 ppm2 8.344
ASSI (
(( segid " " and resid 1139 and name HG1 ))
)(
(( segid " " and resid 1139 and name HN ))
)
5.000 5.000 0.000 peak 9434 weight 0.10000E+01 volume 0.45800E+00 ppm1 2.285 ppm2 8.356
ASSI (
(( segid " " and resid 1139 and name HG2 ))
)(
(( segid " " and resid 1139 and name HN ))
)
5.000 5.000 0.000 peak 9435 weight 0.10000E+01 volume 0.56900E+00 ppm1 2.167 ppm2 8.356
ASSI (
(( segid " " and resid 1140 and name HB1 ))
)(
(( segid " " and resid 1140 and name HA ))
)
3.300 3.300 0.000 peak 8158 weight 0.10000E+01 volume 0.16490E+01 ppm1 2.814 ppm2 4.381
ASSI (
(( segid " " and resid 1140 and name HB2 ))
)(
(( segid " " and resid 1140 and name HA ))
)
5.000 5.000 0.000 peak 8159 weight 0.10000E+01 volume 0.15810E+01 ppm1 2.673 ppm2 4.381
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1140 and name HA ))
)
5.000 5.000 0.000 peak 8987 weight 0.10000E+01 volume -0.59300E+00 ppm1 3.691 ppm2 4.382
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1140 and name HA ))
)
5.000 5.000 0.000 peak 9018 weight 0.10000E+01 volume 0.50100E+00 ppm1 0.629 ppm2 4.376
ASSI (
(( segid " " and resid 1140 and name HB1 ))
)(
(( segid " " and resid 1140 and name HD21))
)
5.000 5.000 0.000 peak 8160 weight 0.10000E+01 volume 0.50300E+00 ppm1 2.814 ppm2 7.675
ASSI (
(( segid " " and resid 1140 and name HB2 ))
)(
(( segid " " and resid 1140 and name HD21))
)
5.000 5.000 0.000 peak 8161 weight 0.10000E+01 volume 0.97200E+00 ppm1 2.676 ppm2 7.674
ASSI (
(( segid " " and resid 1139 and name HA ))
)(
(( segid " " and resid 1140 and name HN ))
)
2.700 2.700 0.000 peak 9031 weight 0.10000E+01 volume -0.38960E+01 ppm1 4.106 ppm2 8.474
ASSI (
(( segid " " and resid 1140 and name HA ))
)(
(( segid " " and resid 1140 and name HN ))
)
3.300 3.300 0.000 peak 8274 weight 0.10000E+01 volume -0.20170E+01 ppm1 4.377 ppm2 8.463
ASSI (
(( segid " " and resid 1141 and name HB2 ))
)(
(( segid " " and resid 1141 and name HA ))
)
5.000 5.000 0.000 peak 9004 weight 0.10000E+01 volume 0.46000E+00 ppm1 1.192 ppm2 3.699
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1141 and name HA ))
)
3.300 3.300 0.000 peak 9013 weight 0.10000E+01 volume 0.18310E+01 ppm1 0.630 ppm2 3.698
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1141 and name HB1 ))
)
5.000 5.000 0.000 peak 8991 weight 0.10000E+01 volume -0.56600E+00 ppm1 3.690 ppm2 2.085
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1141 and name HB1 ))
)
5.000 5.000 0.000 peak 9642 weight 0.10000E+01 volume 0.63400E+00 ppm1 0.630 ppm2 2.080
ASSI (
(( segid " " and resid 1141 and name HG ))
)(
(( segid " " and resid 1141 and name HB1 ))
)
5.000 5.000 0.000 peak 9009 weight 0.10000E+01 volume 0.69200E+00 ppm1 1.423 ppm2 2.087
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1141 and name HB2 ))
)
5.000 5.000 0.000 peak 9016 weight 0.10000E+01 volume 0.10610E+01 ppm1 0.630 ppm2 1.196
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
5.000 5.000 0.000 peak 8996 weight 0.10000E+01 volume -0.40400E+00 ppm1 3.692 ppm2 0.432
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
6.000 6.000 0.000 peak 7675 weight 0.10000E+01 volume -0.21700E+00 ppm1 6.846 ppm2 0.430
ASSI (
(( segid " " and resid 1141 and name HG ))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
3.300 3.300 0.000 peak 9010 weight 0.10000E+01 volume 0.17480E+01 ppm1 1.421 ppm2 0.632
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 7676 weight 0.10000E+01 volume -0.19200E+00 ppm1 6.847 ppm2 0.636
ASSI (
(( segid " " and resid 1140 and name HB2 ))
)(
(( segid " " and resid 1141 and name HG ))
)
6.000 6.000 0.000 peak 8151 weight 0.10000E+01 volume 0.28700E+00 ppm1 2.672 ppm2 1.419
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1141 and name HG ))
)
5.000 5.000 0.000 peak 8994 weight 0.10000E+01 volume -0.59400E+00 ppm1 3.691 ppm2 1.428
ASSI (
(( segid " " and resid 1140 and name HA ))
)(
(( segid " " and resid 1141 and name HN ))
)
2.700 2.700 0.000 peak 8273 weight 0.10000E+01 volume -0.47120E+01 ppm1 4.381 ppm2 8.284
ASSI (
(( segid " " and resid 1140 and name HB1 ))
)(
(( segid " " and resid 1141 and name HN ))
)
5.000 5.000 0.000 peak 9020 weight 0.10000E+01 volume 0.62600E+00 ppm1 2.816 ppm2 8.297
ASSI (
(( segid " " and resid 1140 and name HB2 ))
)(
(( segid " " and resid 1141 and name HN ))
)
5.000 5.000 0.000 peak 9019 weight 0.10000E+01 volume 0.91000E+00 ppm1 2.673 ppm2 8.303
ASSI (
(( segid " " and resid 1141 and name HA ))
)(
(( segid " " and resid 1141 and name HN ))
)
3.300 3.300 0.000 peak 8988 weight 0.10000E+01 volume -0.16410E+01 ppm1 3.690 ppm2 8.291
ASSI (
(( segid " " and resid 1138 and name HB2 ))
)(
(( segid " " and resid 1142 and name HB1 ))
)
5.000 5.000 0.000 peak 8985 weight 0.10000E+01 volume 0.41700E+00 ppm1 2.551 ppm2 3.426
ASSI (
(( segid " " and resid 1142 and name HA ))
)(
(( segid " " and resid 1142 and name HB1 ))
)
6.000 6.000 0.000 peak 8970 weight 0.10000E+01 volume -0.25300E+00 ppm1 4.369 ppm2 3.439
ASSI (
(( segid " " and resid 1138 and name HB2 ))
)(
(( segid " " and resid 1142 and name HB2 ))
)
5.000 5.000 0.000 peak 9038 weight 0.10000E+01 volume 0.42400E+00 ppm1 2.540 ppm2 2.285
ASSI (
(( segid " " and resid 1142 and name HA ))
)(
(( segid " " and resid 1142 and name HB2 ))
)
5.000 5.000 0.000 peak 8971 weight 0.10000E+01 volume -0.45400E+00 ppm1 4.367 ppm2 2.274
ASSI (
(( segid " " and resid 1139 and name HG1 ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
6.000 6.000 0.000 peak 8767 weight 0.10000E+01 volume 0.31700E+00 ppm1 2.282 ppm2 6.670
ASSI (
(( segid " " and resid 1142 and name HA ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
6.000 6.000 0.000 peak 8444 weight 0.10000E+01 volume -0.27500E+00 ppm1 4.369 ppm2 6.676
ASSI (
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
5.000 5.000 0.000 peak 7724 weight 0.10000E+01 volume -0.15220E+01 ppm1 6.196 ppm2 6.670
ASSI (
(( segid " " and resid 1166 and name HD2 ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
6.000 6.000 0.000 peak 9569 weight 0.10000E+01 volume -0.23700E+00 ppm1 1.984 ppm2 6.660
ASSI (
(( segid " " and resid 1142 and name HB1 ))
)(
(( segid " " and resid 1142 and name HN ))
)
5.000 5.000 0.000 peak 8978 weight 0.10000E+01 volume 0.48800E+00 ppm1 3.427 ppm2 8.452
ASSI (
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)(
(( segid " " and resid 1143 and name HE21))
)
5.000 5.000 0.000 peak 9426 weight 0.10000E+01 volume 0.62000E+00 ppm1 2.175 ppm2 7.457
ASSI (
(( segid " " and resid 1193 and name HB ))
)(
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 8240 weight 0.10000E+01 volume -0.40400E+00 ppm1 3.564 ppm2 2.189
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 9307 weight 0.10000E+01 volume 0.69000E+00 ppm1 0.418 ppm2 2.184
ASSI (
(( segid " " and resid 1144 and name HG ))
)(
(( segid " " and resid 1144 and name HA ))
)
5.000 5.000 0.000 peak 8670 weight 0.10000E+01 volume 0.14930E+01 ppm1 1.342 ppm2 4.635
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1144 and name HA ))
)
5.000 5.000 0.000 peak 6382 weight 0.10000E+01 volume -0.93000E+00 ppm1 5.062 ppm2 4.629
ASSI (
(( segid " " and resid 1144 and name HB1 ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
3.300 3.300 0.000 peak 8959 weight 0.10000E+01 volume 0.17280E+01 ppm1 1.614 ppm2 0.769
ASSI (
(( segid " " and resid 1144 and name HB2 ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
3.300 3.300 0.000 peak 8958 weight 0.10000E+01 volume 0.19530E+01 ppm1 1.592 ppm2 0.771
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 3276 weight 0.10000E+01 volume -0.14720E+01 ppm1 3.968 ppm2 0.769
ASSI (
(( segid " " and resid 1148 and name HB1 ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 8913 weight 0.10000E+01 volume 0.47000E+00 ppm1 2.123 ppm2 0.760
ASSI (
(( segid " " and resid 1148 and name HB1 ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 8914 weight 0.10000E+01 volume 0.81400E+00 ppm1 2.121 ppm2 0.584
ASSI (
(( segid " " and resid 1148 and name HG1 ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
6.000 6.000 0.000 peak 3339 weight 0.10000E+01 volume 0.28700E+00 ppm1 1.579 ppm2 0.587
ASSI (
(( segid " " and resid 1143 and name HA ))
)(
(( segid " " and resid 1144 and name HN ))
)
3.300 3.300 0.000 peak 8967 weight 0.10000E+01 volume -0.27410E+01 ppm1 4.678 ppm2 8.578
ASSI (
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)(
(( segid " " and resid 1144 and name HN ))
)
6.000 6.000 0.000 peak 9427 weight 0.10000E+01 volume 0.28100E+00 ppm1 2.173 ppm2 8.568
ASSI (
(( segid " " and resid 1144 and name HB1 ))
)(
(( segid " " and resid 1144 and name HN ))
)
5.000 5.000 0.000 peak 8964 weight 0.10000E+01 volume 0.12170E+01 ppm1 1.616 ppm2 8.578
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1144 and name HN ))
)
5.000 5.000 0.000 peak 8527 weight 0.10000E+01 volume 0.55100E+00 ppm1 0.758 ppm2 8.576
ASSI (
(( segid " " and resid 1145 and name HB1 ))
)(
(( segid " " and resid 1145 and name HA ))
)
5.000 5.000 0.000 peak 8666 weight 0.10000E+01 volume 0.71000E+00 ppm1 1.963 ppm2 4.697
ASSI (
(( segid " " and resid 1164 and name HG ))
)(
(( segid " " and resid 1145 and name HB2 ))
)
5.000 5.000 0.000 peak 8657 weight 0.10000E+01 volume 0.84000E+00 ppm1 0.636 ppm2 1.791
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1145 and name HN ))
)
5.000 5.000 0.000 peak 6385 weight 0.10000E+01 volume -0.56000E+00 ppm1 5.064 ppm2 9.414
ASSI (
(( segid " " and resid 1145 and name HA ))
)(
(( segid " " and resid 1146 and name HN ))
)
2.700 2.700 0.000 peak 8950 weight 0.10000E+01 volume -0.35110E+01 ppm1 4.701 ppm2 8.534
ASSI (
(( segid " " and resid 1147 and name HB2 ))
)(
(( segid " " and resid 1147 and name HA ))
)
3.300 3.300 0.000 peak 8923 weight 0.10000E+01 volume 0.17730E+01 ppm1 2.750 ppm2 4.557
ASSI (
(( segid " " and resid 1147 and name HA ))
)(
(( segid " " and resid 1147 and name HB1 ))
)
3.300 3.300 0.000 peak 7047 weight 0.10000E+01 volume -0.21360E+01 ppm1 4.555 ppm2 2.932
ASSI (
(( segid " " and resid 1147 and name HB1 ))
)(
(( segid " " and resid 1147 and name HN ))
)
5.000 5.000 0.000 peak 8916 weight 0.10000E+01 volume 0.81000E+00 ppm1 2.936 ppm2 8.354
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1148 and name HA ))
)
5.000 5.000 0.000 peak 8524 weight 0.10000E+01 volume 0.79900E+00 ppm1 0.760 ppm2 3.975
ASSI (
(( segid " " and resid 1148 and name HG1 ))
)(
(( segid " " and resid 1148 and name HB1 ))
)
5.000 5.000 0.000 peak 2754 weight 0.10000E+01 volume 0.53600E+00 ppm1 1.579 ppm2 2.115
ASSI (
(( segid " " and resid 1148 and name HG1 ))
)(
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)
3.300 3.300 0.000 peak 9060 weight 0.10000E+01 volume 0.24860E+01 ppm1 1.579 ppm2 1.769
ASSI (
(( segid " " and resid 1148 and name HG1 ))
)(
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)
5.000 5.000 0.000 peak 2857 weight 0.10000E+01 volume 0.46800E+00 ppm1 1.580 ppm2 3.037
ASSI (
(( segid " " and resid 1148 and name HG2 ))
)(
(( segid " " and resid 1148 and name HE2 ))
OR
(( segid " " and resid 1148 and name HE1 ))
)
5.000 5.000 0.000 peak 2927 weight 0.10000E+01 volume 0.87000E+00 ppm1 1.481 ppm2 3.034
ASSI (
(( segid " " and resid 1149 and name HG1 ))
)(
(( segid " " and resid 1149 and name HA ))
)
6.000 6.000 0.000 peak 6273 weight 0.10000E+01 volume 0.37600E+00 ppm1 1.571 ppm2 5.399
ASSI (
(( segid " " and resid 1149 and name HA ))
)(
(( segid " " and resid 1149 and name HB1 ))
)
5.000 5.000 0.000 peak 6265 weight 0.10000E+01 volume -0.99400E+00 ppm1 5.397 ppm2 1.710
ASSI (
(( segid " " and resid 1135 and name HG1 ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
6.000 6.000 0.000 peak 9363 weight 0.10000E+01 volume 0.37800E+00 ppm1 2.173 ppm2 3.160
ASSI (
(( segid " " and resid 1135 and name HG2 ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
6.000 6.000 0.000 peak 9364 weight 0.10000E+01 volume 0.20100E+00 ppm1 2.050 ppm2 3.164
ASSI (
(( segid " " and resid 1149 and name HG2 ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
3.300 3.300 0.000 peak 2666 weight 0.10000E+01 volume 0.24950E+01 ppm1 1.385 ppm2 3.142
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1149 and name HG1 ))
)
5.000 5.000 0.000 peak 7190 weight 0.10000E+01 volume -0.66500E+00 ppm1 3.823 ppm2 1.576
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1149 and name HG1 ))
)
5.000 5.000 0.000 peak 7191 weight 0.10000E+01 volume -0.62200E+00 ppm1 3.752 ppm2 1.573
ASSI (
(( segid " " and resid 1149 and name HA ))
)(
(( segid " " and resid 1149 and name HG2 ))
)
5.000 5.000 0.000 peak 6268 weight 0.10000E+01 volume -0.45600E+00 ppm1 5.392 ppm2 1.387
ASSI (
(( segid " " and resid 1148 and name HG1 ))
)(
(( segid " " and resid 1149 and name HN ))
)
6.000 6.000 0.000 peak 2977 weight 0.10000E+01 volume 0.22700E+00 ppm1 1.577 ppm2 7.725
ASSI (
(( segid " " and resid 1149 and name HA ))
)(
(( segid " " and resid 1149 and name HN ))
)
5.000 5.000 0.000 peak 6269 weight 0.10000E+01 volume -0.48400E+00 ppm1 5.394 ppm2 7.725
ASSI (
(( segid " " and resid 1149 and name HB2 ))
)(
(( segid " " and resid 1149 and name HN ))
)
5.000 5.000 0.000 peak 8316 weight 0.10000E+01 volume 0.92400E+00 ppm1 1.624 ppm2 7.725
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1150 and name HB ))
)
3.300 3.300 0.000 peak 8857 weight 0.10000E+01 volume 0.16790E+01 ppm1 0.758 ppm2 2.034
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
3.300 3.300 0.000 peak 7773 weight 0.10000E+01 volume 0.16020E+01 ppm1 0.099 ppm2 0.435
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
3.300 3.300 0.000 peak 8859 weight 0.10000E+01 volume 0.23250E+01 ppm1 0.756 ppm2 0.441
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
6.000 6.000 0.000 peak 6427 weight 0.10000E+01 volume -0.32800E+00 ppm1 5.033 ppm2 0.435
ASSI (
(( segid " " and resid 1133 and name HA ))
)(
(( segid " " and resid 1150 and name HN ))
)
6.000 6.000 0.000 peak 6234 weight 0.10000E+01 volume -0.98000E-01 ppm1 6.015 ppm2 8.742
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1150 and name HN ))
)
6.000 6.000 0.000 peak 7762 weight 0.10000E+01 volume 0.19400E+00 ppm1 0.099 ppm2 8.738
ASSI (
(( segid " " and resid 1149 and name HA ))
)(
(( segid " " and resid 1150 and name HN ))
)
3.300 3.300 0.000 peak 6264 weight 0.10000E+01 volume -0.17100E+01 ppm1 5.395 ppm2 8.740
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1150 and name HN ))
)
6.000 6.000 0.000 peak 8869 weight 0.10000E+01 volume 0.32300E+00 ppm1 0.756 ppm2 8.740
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1151 and name HA ))
)
6.000 6.000 0.000 peak 7178 weight 0.10000E+01 volume -0.30700E+00 ppm1 3.756 ppm2 5.425
ASSI (
(( segid " " and resid 1151 and name HB ))
)(
(( segid " " and resid 1151 and name HA ))
)
5.000 5.000 0.000 peak 8460 weight 0.10000E+01 volume -0.60500E+00 ppm1 3.707 ppm2 5.444
ASSI (
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)(
(( segid " " and resid 1151 and name HA ))
)
5.000 5.000 0.000 peak 6263 weight 0.10000E+01 volume 0.79900E+00 ppm1 1.050 ppm2 5.435
ASSI (
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)(
(( segid " " and resid 1151 and name HB ))
)
3.300 3.300 0.000 peak 8850 weight 0.10000E+01 volume 0.25000E+01 ppm1 1.049 ppm2 3.715
ASSI (
(( segid " " and resid 1131 and name HA ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
5.000 5.000 0.000 peak 7005 weight 0.10000E+01 volume -0.12430E+01 ppm1 3.808 ppm2 1.055
ASSI (
(( segid " " and resid 1133 and name HB1 ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
6.000 6.000 0.000 peak 7195 weight 0.10000E+01 volume -0.39200E+00 ppm1 3.823 ppm2 1.058
ASSI (
(( segid " " and resid 1133 and name HB2 ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
6.000 6.000 0.000 peak 7194 weight 0.10000E+01 volume -0.28900E+00 ppm1 3.760 ppm2 1.057
ASSI (
(( segid " " and resid 1150 and name HB ))
)(
(( segid " " and resid 1151 and name HN ))
)
5.000 5.000 0.000 peak 8856 weight 0.10000E+01 volume 0.55200E+00 ppm1 2.031 ppm2 8.429
ASSI (
(( segid " " and resid 1152 and name HB1 ))
)(
(( segid " " and resid 1152 and name HA ))
)
5.000 5.000 0.000 peak 3172 weight 0.10000E+01 volume 0.52400E+00 ppm1 2.329 ppm2 3.955
ASSI (
(( segid " " and resid 1152 and name HB2 ))
)(
(( segid " " and resid 1152 and name HA ))
)
5.000 5.000 0.000 peak 3174 weight 0.10000E+01 volume 0.41800E+00 ppm1 0.944 ppm2 3.961
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1152 and name HA ))
)
5.000 5.000 0.000 peak 6422 weight 0.10000E+01 volume -0.12450E+01 ppm1 5.033 ppm2 3.949
ASSI (
(( segid " " and resid 1152 and name HB2 ))
)(
(( segid " " and resid 1152 and name HB1 ))
)
5.000 5.000 0.000 peak 8845 weight 0.10000E+01 volume 0.10880E+01 ppm1 0.946 ppm2 2.327
ASSI (
(( segid " " and resid 1152 and name HB1 ))
)(
(( segid " " and resid 1152 and name HN ))
)
5.000 5.000 0.000 peak 8847 weight 0.10000E+01 volume 0.65800E+00 ppm1 2.327 ppm2 8.342
ASSI (
(( segid " " and resid 1152 and name HB2 ))
)(
(( segid " " and resid 1152 and name HN ))
)
5.000 5.000 0.000 peak 8848 weight 0.10000E+01 volume 0.44500E+00 ppm1 0.948 ppm2 8.342
ASSI (
(( segid " " and resid 1154 and name HA ))
)(
(( segid " " and resid 1153 and name HA ))
)
5.000 5.000 0.000 peak 6995 weight 0.10000E+01 volume -0.73900E+00 ppm1 4.259 ppm2 4.517
ASSI (
(( segid " " and resid 1154 and name HB2 ))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)
6.000 6.000 0.000 peak 8819 weight 0.10000E+01 volume 0.23800E+00 ppm1 2.695 ppm2 1.717
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1153 and name HN ))
)
5.000 5.000 0.000 peak 6416 weight 0.10000E+01 volume -0.59500E+00 ppm1 5.033 ppm2 8.729
ASSI (
(( segid " " and resid 1154 and name HB2 ))
)(
(( segid " " and resid 1154 and name HA ))
)
5.000 5.000 0.000 peak 2730 weight 0.10000E+01 volume 0.10710E+01 ppm1 2.697 ppm2 4.261
ASSI (
(( segid " " and resid 1154 and name HA ))
)(
(( segid " " and resid 1154 and name HB1 ))
)
3.300 3.300 0.000 peak 6996 weight 0.10000E+01 volume -0.19680E+01 ppm1 4.261 ppm2 3.025
ASSI (
(( segid " " and resid 1155 and name HA2 ))
)(
(( segid " " and resid 1155 and name HA1 ))
)
3.300 3.300 0.000 peak 6984 weight 0.10000E+01 volume -0.29730E+01 ppm1 3.309 ppm2 3.889
ASSI (
(( segid " " and resid 1107 and name HA1 ))
)(
(( segid " " and resid 1155 and name HA2 ))
)
5.000 5.000 0.000 peak 9250 weight 0.10000E+01 volume -0.60300E+00 ppm1 3.804 ppm2 3.309
ASSI (
(( segid " " and resid 1107 and name HA2 ))
)(
(( segid " " and resid 1155 and name HA2 ))
)
6.000 6.000 0.000 peak 9249 weight 0.10000E+01 volume -0.19800E+00 ppm1 3.473 ppm2 3.301
ASSI (
(( segid " " and resid 1107 and name HA1 ))
)(
(( segid " " and resid 1155 and name HN ))
)
5.000 5.000 0.000 peak 9242 weight 0.10000E+01 volume -0.51600E+00 ppm1 3.805 ppm2 7.654
ASSI (
(( segid " " and resid 1107 and name HA2 ))
)(
(( segid " " and resid 1155 and name HN ))
)
5.000 5.000 0.000 peak 9240 weight 0.10000E+01 volume -0.64400E+00 ppm1 3.478 ppm2 7.663
ASSI (
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
)(
(( segid " " and resid 1156 and name HB1 ))
)
3.300 3.300 0.000 peak 9405 weight 0.10000E+01 volume 0.29570E+01 ppm1 2.324 ppm2 2.094
ASSI (
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
)(
(( segid " " and resid 1156 and name HB2 ))
)
3.300 3.300 0.000 peak 9404 weight 0.10000E+01 volume 0.21720E+01 ppm1 2.326 ppm2 1.850
ASSI (
(( segid " " and resid 1155 and name HA2 ))
)(
(( segid " " and resid 1156 and name HN ))
)
5.000 5.000 0.000 peak 6988 weight 0.10000E+01 volume -0.41100E+00 ppm1 3.308 ppm2 7.546
ASSI (
(( segid " " and resid 1156 and name HB1 ))
)(
(( segid " " and resid 1156 and name HN ))
)
6.000 6.000 0.000 peak 8742 weight 0.10000E+01 volume 0.38700E+00 ppm1 2.083 ppm2 7.556
ASSI (
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
)(
(( segid " " and resid 1156 and name HN ))
)
5.000 5.000 0.000 peak 9406 weight 0.10000E+01 volume 0.10080E+01 ppm1 2.325 ppm2 7.544
ASSI (
(( segid " " and resid 1157 and name HB1 ))
)(
(( segid " " and resid 1157 and name HA ))
)
5.000 5.000 0.000 peak 6432 weight 0.10000E+01 volume 0.50100E+00 ppm1 3.484 ppm2 5.030
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1157 and name HB1 ))
)
5.000 5.000 0.000 peak 8719 weight 0.10000E+01 volume 0.91000E+00 ppm1 0.445 ppm2 3.496
ASSI (
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)(
(( segid " " and resid 1157 and name HB2 ))
)
5.000 5.000 0.000 peak 8720 weight 0.10000E+01 volume 0.14800E+01 ppm1 0.441 ppm2 2.956
ASSI (
(( segid " " and resid 1112 and name HA ))
)(
(( segid " " and resid 1157 and name HD1 ))
)
5.000 5.000 0.000 peak 9401 weight 0.10000E+01 volume -0.53300E+00 ppm1 3.279 ppm2 7.131
ASSI (
(( segid " " and resid 1157 and name HB1 ))
)(
(( segid " " and resid 1157 and name HD1 ))
)
6.000 6.000 0.000 peak 8716 weight 0.10000E+01 volume 0.38200E+00 ppm1 3.483 ppm2 7.124
ASSI (
(( segid " " and resid 1109 and name HB2 ))
)(
(( segid " " and resid 1157 and name HE1 ))
)
5.000 5.000 0.000 peak 8647 weight 0.10000E+01 volume -0.41600E+00 ppm1 2.059 ppm2 9.758
ASSI (
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
)(
(( segid " " and resid 1157 and name HN ))
)
6.000 6.000 0.000 peak 9407 weight 0.10000E+01 volume 0.25200E+00 ppm1 2.325 ppm2 8.543
ASSI (
(( segid " " and resid 1157 and name HA ))
)(
(( segid " " and resid 1157 and name HN ))
)
5.000 5.000 0.000 peak 6417 weight 0.10000E+01 volume -0.45000E+00 ppm1 5.032 ppm2 8.558
ASSI (
(( segid " " and resid 1157 and name HB1 ))
)(
(( segid " " and resid 1157 and name HN ))
)
5.000 5.000 0.000 peak 8715 weight 0.10000E+01 volume 0.78100E+00 ppm1 3.483 ppm2 8.556
ASSI (
(( segid " " and resid 1157 and name HB2 ))
)(
(( segid " " and resid 1157 and name HN ))
)
6.000 6.000 0.000 peak 8717 weight 0.10000E+01 volume 0.33600E+00 ppm1 2.954 ppm2 8.554
ASSI (
(( segid " " and resid 1150 and name HB ))
)(
(( segid " " and resid 1158 and name HN ))
)
6.000 6.000 0.000 peak 8855 weight 0.10000E+01 volume 0.24200E+00 ppm1 2.031 ppm2 8.171
ASSI (
(( segid " " and resid 1158 and name HB2 ))
)(
(( segid " " and resid 1158 and name HN ))
)
5.000 5.000 0.000 peak 7170 weight 0.10000E+01 volume -0.45200E+00 ppm1 4.190 ppm2 8.172
ASSI (
(( segid " " and resid 1159 and name HB1 ))
)(
(( segid " " and resid 1159 and name HA ))
)
5.000 5.000 0.000 peak 8700 weight 0.10000E+01 volume 0.13210E+01 ppm1 2.029 ppm2 4.396
ASSI (
(( segid " " and resid 1159 and name HB2 ))
)(
(( segid " " and resid 1159 and name HA ))
)
5.000 5.000 0.000 peak 8701 weight 0.10000E+01 volume 0.14990E+01 ppm1 1.951 ppm2 4.395
ASSI (
(( segid " " and resid 1160 and name HD1 ))
)(
(( segid " " and resid 1159 and name HA ))
)
3.300 3.300 0.000 peak 7573 weight 0.10000E+01 volume -0.18100E+01 ppm1 3.980 ppm2 4.395
ASSI (
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)(
(( segid " " and resid 1159 and name HB1 ))
)
3.300 3.300 0.000 peak 8709 weight 0.10000E+01 volume 0.23940E+01 ppm1 2.415 ppm2 2.047
ASSI (
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)(
(( segid " " and resid 1159 and name HB2 ))
)
2.700 2.700 0.000 peak 8708 weight 0.10000E+01 volume 0.38680E+01 ppm1 2.419 ppm2 1.962
ASSI (
(( segid " " and resid 1160 and name HD1 ))
)(
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)
5.000 5.000 0.000 peak 7657 weight 0.10000E+01 volume -0.45200E+00 ppm1 3.988 ppm2 2.411
ASSI (
(( segid " " and resid 1160 and name HD2 ))
)(
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)
5.000 5.000 0.000 peak 7658 weight 0.10000E+01 volume -0.87700E+00 ppm1 3.684 ppm2 2.407
ASSI (
(( segid " " and resid 1158 and name HB1 ))
)(
(( segid " " and resid 1159 and name HN ))
)
5.000 5.000 0.000 peak 7169 weight 0.10000E+01 volume -0.10240E+01 ppm1 4.386 ppm2 7.972
ASSI (
(( segid " " and resid 1159 and name HA ))
)(
(( segid " " and resid 1159 and name HN ))
)
5.000 5.000 0.000 peak 7648 weight 0.10000E+01 volume -0.10120E+01 ppm1 4.397 ppm2 7.961
ASSI (
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)(
(( segid " " and resid 1159 and name HN ))
)
5.000 5.000 0.000 peak 3017 weight 0.10000E+01 volume 0.62300E+00 ppm1 2.427 ppm2 7.969
ASSI (
(( segid " " and resid 1160 and name HD2 ))
)(
(( segid " " and resid 1159 and name HN ))
)
6.000 6.000 0.000 peak 7666 weight 0.10000E+01 volume -0.21100E+00 ppm1 3.694 ppm2 7.971
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1160 and name HA ))
)
6.000 6.000 0.000 peak 8892 weight 0.10000E+01 volume 0.24500E+00 ppm1 0.436 ppm2 4.377
ASSI (
(( segid " " and resid 1160 and name HG1 ))
)(
(( segid " " and resid 1160 and name HD1 ))
)
5.000 5.000 0.000 peak 7669 weight 0.10000E+01 volume 0.63300E+00 ppm1 1.842 ppm2 3.979
ASSI (
(( segid " " and resid 1160 and name HG2 ))
)(
(( segid " " and resid 1160 and name HD1 ))
)
5.000 5.000 0.000 peak 7670 weight 0.10000E+01 volume 0.63700E+00 ppm1 1.744 ppm2 3.983
ASSI (
(( segid " " and resid 1159 and name HA ))
)(
(( segid " " and resid 1160 and name HD2 ))
)
2.700 2.700 0.000 peak 6958 weight 0.10000E+01 volume -0.31830E+01 ppm1 4.397 ppm2 3.682
ASSI (
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)(
(( segid " " and resid 1160 and name HD2 ))
)
5.000 5.000 0.000 peak 8711 weight 0.10000E+01 volume 0.65800E+00 ppm1 2.417 ppm2 3.687
ASSI (
(( segid " " and resid 1160 and name HG1 ))
)(
(( segid " " and resid 1160 and name HD2 ))
)
5.000 5.000 0.000 peak 8538 weight 0.10000E+01 volume 0.82600E+00 ppm1 1.840 ppm2 3.676
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1160 and name HG2 ))
)
5.000 5.000 0.000 peak 8899 weight 0.10000E+01 volume 0.13900E+01 ppm1 0.438 ppm2 1.757
ASSI (
(( segid " " and resid 1148 and name HA ))
)(
(( segid " " and resid 1160 and name HG2 ))
)
5.000 5.000 0.000 peak 6887 weight 0.10000E+01 volume -0.84300E+00 ppm1 3.969 ppm2 1.745
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1161 and name HD1 ))
)
5.000 5.000 0.000 peak 8864 weight 0.10000E+01 volume 0.52400E+00 ppm1 0.757 ppm2 3.384
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1161 and name HD2 ))
)
5.000 5.000 0.000 peak 8897 weight 0.10000E+01 volume 0.45800E+00 ppm1 0.439 ppm2 2.470
ASSI (
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)
6.000 6.000 0.000 peak 8671 weight 0.10000E+01 volume 0.27200E+00 ppm1 2.262 ppm2 1.349
ASSI (
(( segid " " and resid 1162 and name HA ))
)(
(( segid " " and resid 1162 and name HN ))
)
5.000 5.000 0.000 peak 6975 weight 0.10000E+01 volume -0.40400E+00 ppm1 4.525 ppm2 8.059
ASSI (
(( segid " " and resid 1162 and name HB1 ))
)(
(( segid " " and resid 1162 and name HN ))
)
6.000 6.000 0.000 peak 8693 weight 0.10000E+01 volume 0.30000E+00 ppm1 1.696 ppm2 8.065
ASSI (
(( segid " " and resid 1163 and name HB2 ))
)(
(( segid " " and resid 1163 and name HA ))
)
6.000 6.000 0.000 peak 8681 weight 0.10000E+01 volume 0.28300E+00 ppm1 2.531 ppm2 5.074
ASSI (
(( segid " " and resid 1142 and name HB2 ))
)(
(( segid " " and resid 1163 and name HB1 ))
)
6.000 6.000 0.000 peak 8981 weight 0.10000E+01 volume 0.34900E+00 ppm1 2.271 ppm2 2.807
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1163 and name HN ))
)
5.000 5.000 0.000 peak 8894 weight 0.10000E+01 volume 0.40900E+00 ppm1 0.438 ppm2 8.974
ASSI (
(( segid " " and resid 1163 and name HA ))
)(
(( segid " " and resid 1163 and name HN ))
)
5.000 5.000 0.000 peak 6386 weight 0.10000E+01 volume -0.64200E+00 ppm1 5.065 ppm2 9.010
ASSI (
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
)(
(( segid " " and resid 1164 and name HA ))
)
3.300 3.300 0.000 peak 7589 weight 0.10000E+01 volume 0.16030E+01 ppm1 0.664 ppm2 4.360
ASSI (
(( segid " " and resid 1164 and name HA ))
)(
(( segid " " and resid 1164 and name HB1 ))
)
5.000 5.000 0.000 peak 8369 weight 0.10000E+01 volume -0.14140E+01 ppm1 4.358 ppm2 1.641
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1164 and name HB1 ))
)
5.000 5.000 0.000 peak 9309 weight 0.10000E+01 volume 0.11820E+01 ppm1 0.413 ppm2 1.651
ASSI (
(( segid " " and resid 1164 and name HA ))
)(
(( segid " " and resid 1164 and name HB2 ))
)
5.000 5.000 0.000 peak 6961 weight 0.10000E+01 volume -0.87500E+00 ppm1 4.357 ppm2 1.152
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1164 and name HB2 ))
)
6.000 6.000 0.000 peak 9312 weight 0.10000E+01 volume 0.37300E+00 ppm1 0.412 ppm2 1.109
ASSI (
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
)
5.000 5.000 0.000 peak 9322 weight 0.10000E+01 volume 0.11800E+01 ppm1 1.364 ppm2 0.662
ASSI (
(( segid " " and resid 1219 and name HD1 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
)
6.000 6.000 0.000 peak 7613 weight 0.10000E+01 volume -0.15800E+00 ppm1 7.157 ppm2 0.658
ASSI (
(( segid " " and resid 1145 and name HB1 ))
)(
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 8661 weight 0.10000E+01 volume 0.13390E+01 ppm1 1.959 ppm2 0.643
ASSI (
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)(
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 8668 weight 0.10000E+01 volume 0.13890E+01 ppm1 2.263 ppm2 0.639
ASSI (
(( segid " " and resid 1166 and name HD2 ))
)(
(( segid " " and resid 1165 and name HA ))
)
5.000 5.000 0.000 peak 9081 weight 0.10000E+01 volume -0.62800E+00 ppm1 1.983 ppm2 4.036
ASSI (
(( segid " " and resid 1165 and name HA ))
)(
(( segid " " and resid 1165 and name HN ))
)
6.000 6.000 0.000 peak 8637 weight 0.10000E+01 volume -0.31500E+00 ppm1 4.020 ppm2 9.797
ASSI (
(( segid " " and resid 1220 and name HA ))
)(
(( segid " " and resid 1165 and name HN ))
)
5.000 5.000 0.000 peak 6677 weight 0.10000E+01 volume -0.69800E+00 ppm1 4.490 ppm2 9.797
ASSI (
(( segid " " and resid 1192 and name HA ))
)(
(( segid " " and resid 1166 and name HA ))
)
5.000 5.000 0.000 peak 6526 weight 0.10000E+01 volume -0.89800E+00 ppm1 4.247 ppm2 4.841
ASSI (
(( segid " " and resid 1166 and name HA ))
)(
(( segid " " and resid 1166 and name HB1 ))
)
5.000 5.000 0.000 peak 6522 weight 0.10000E+01 volume -0.10230E+01 ppm1 4.846 ppm2 2.214
ASSI (
(( segid " " and resid 1166 and name HA ))
)(
(( segid " " and resid 1166 and name HB2 ))
)
5.000 5.000 0.000 peak 6523 weight 0.10000E+01 volume -0.65500E+00 ppm1 4.844 ppm2 1.791
ASSI (
(( segid " " and resid 1165 and name HA ))
)(
(( segid " " and resid 1166 and name HD1 ))
)
5.000 5.000 0.000 peak 9553 weight 0.10000E+01 volume -0.85900E+00 ppm1 4.025 ppm2 2.928
ASSI (
(( segid " " and resid 1166 and name HD2 ))
)(
(( segid " " and resid 1166 and name HD1 ))
)
5.000 5.000 0.000 peak 9082 weight 0.10000E+01 volume -0.13150E+01 ppm1 1.983 ppm2 2.932
ASSI (
(( segid " " and resid 1166 and name HG1 ))
)(
(( segid " " and resid 1166 and name HD1 ))
)
6.000 6.000 0.000 peak 9565 weight 0.10000E+01 volume 0.33400E+00 ppm1 1.521 ppm2 2.923
ASSI (
(( segid " " and resid 1166 and name HG2 ))
)(
(( segid " " and resid 1166 and name HD1 ))
)
5.000 5.000 0.000 peak 9568 weight 0.10000E+01 volume 0.77700E+00 ppm1 1.401 ppm2 2.920
ASSI (
(( segid " " and resid 1166 and name HD2 ))
)(
(( segid " " and resid 1166 and name HG1 ))
)
5.000 5.000 0.000 peak 9083 weight 0.10000E+01 volume -0.42800E+00 ppm1 1.982 ppm2 1.520
ASSI (
(( segid " " and resid 1166 and name HD2 ))
)(
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 9084 weight 0.10000E+01 volume -0.33900E+00 ppm1 1.981 ppm2 1.404
ASSI (
(( segid " " and resid 1221 and name HA1 ))
)(
(( segid " " and resid 1167 and name HA ))
)
5.000 5.000 0.000 peak 6670 weight 0.10000E+01 volume -0.58300E+00 ppm1 4.054 ppm2 4.789
ASSI (
(( segid " " and resid 1221 and name HA2 ))
)(
(( segid " " and resid 1167 and name HA ))
)
5.000 5.000 0.000 peak 6671 weight 0.10000E+01 volume -0.60700E+00 ppm1 3.745 ppm2 4.790
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1167 and name HA ))
)
6.000 6.000 0.000 peak 7833 weight 0.10000E+01 volume 0.30900E+00 ppm1 0.528 ppm2 4.798
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 7680 weight 0.10000E+01 volume -0.10230E+01 ppm1 6.844 ppm2 2.794
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1167 and name HB2 ))
)
5.000 5.000 0.000 peak 7831 weight 0.10000E+01 volume 0.55200E+00 ppm1 0.529 ppm2 2.708
ASSI (
(( segid " " and resid 1167 and name HB2 ))
)(
(( segid " " and resid 1167 and name HN ))
)
5.000 5.000 0.000 peak 8632 weight 0.10000E+01 volume 0.47300E+00 ppm1 2.718 ppm2 9.426
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1167 and name HN ))
)
6.000 6.000 0.000 peak 7817 weight 0.10000E+01 volume -0.24000E+00 ppm1 3.439 ppm2 9.411
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1167 and name HN ))
)
6.000 6.000 0.000 peak 7840 weight 0.10000E+01 volume 0.11900E+00 ppm1 0.529 ppm2 9.434
ASSI (
(( segid " " and resid 1168 and name HB ))
)(
(( segid " " and resid 1168 and name HA ))
)
5.000 5.000 0.000 peak 6947 weight 0.10000E+01 volume 0.60800E+00 ppm1 1.898 ppm2 4.199
ASSI (
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)(
(( segid " " and resid 1168 and name HA ))
)
6.000 6.000 0.000 peak 9468 weight 0.10000E+01 volume 0.31300E+00 ppm1 0.849 ppm2 4.204
ASSI (
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
)(
(( segid " " and resid 1168 and name HA ))
)
5.000 5.000 0.000 peak 6948 weight 0.10000E+01 volume 0.44300E+00 ppm1 0.826 ppm2 4.202
ASSI (
(( segid " " and resid 1190 and name HA ))
)(
(( segid " " and resid 1168 and name HA ))
)
5.000 5.000 0.000 peak 6288 weight 0.10000E+01 volume -0.69300E+00 ppm1 5.356 ppm2 4.203
ASSI (
(( segid " " and resid 1168 and name HA ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
3.300 3.300 0.000 peak 6946 weight 0.10000E+01 volume -0.27370E+01 ppm1 4.205 ppm2 0.830
ASSI (
(( segid " " and resid 1168 and name HB ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
2.700 2.700 0.000 peak 8621 weight 0.10000E+01 volume 0.55930E+01 ppm1 1.900 ppm2 0.833
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
5.000 5.000 0.000 peak 7677 weight 0.10000E+01 volume -0.41300E+00 ppm1 6.845 ppm2 0.822
ASSI (
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
)
5.000 5.000 0.000 peak 9603 weight 0.10000E+01 volume -0.74500E+00 ppm1 6.737 ppm2 0.809
ASSI (
(( segid " " and resid 1168 and name HA ))
)(
(( segid " " and resid 1168 and name HN ))
)
5.000 5.000 0.000 peak 6941 weight 0.10000E+01 volume -0.53600E+00 ppm1 4.206 ppm2 8.543
ASSI (
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)(
(( segid " " and resid 1168 and name HN ))
)
6.000 6.000 0.000 peak 9465 weight 0.10000E+01 volume 0.38000E+00 ppm1 0.848 ppm2 8.546
ASSI (
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
)(
(( segid " " and resid 1168 and name HN ))
)
5.000 5.000 0.000 peak 9476 weight 0.10000E+01 volume 0.56000E+00 ppm1 0.819 ppm2 8.542
ASSI (
(( segid " " and resid 1221 and name HA2 ))
)(
(( segid " " and resid 1168 and name HN ))
)
6.000 6.000 0.000 peak 7568 weight 0.10000E+01 volume -0.22700E+00 ppm1 3.741 ppm2 8.542
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1169 and name HB ))
)
2.700 2.700 0.000 peak 8598 weight 0.10000E+01 volume 0.32130E+01 ppm1 1.030 ppm2 1.701
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 6932 weight 0.10000E+01 volume -0.45600E+00 ppm1 4.160 ppm2 0.697
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1169 and name HG11))
)
5.000 5.000 0.000 peak 6929 weight 0.10000E+01 volume -0.58500E+00 ppm1 4.161 ppm2 1.361
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1169 and name HG11))
)
3.300 3.300 0.000 peak 8588 weight 0.10000E+01 volume 0.17400E+01 ppm1 0.702 ppm2 1.372
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1169 and name HG12))
)
5.000 5.000 0.000 peak 6931 weight 0.10000E+01 volume -0.90400E+00 ppm1 4.160 ppm2 0.962
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
3.300 3.300 0.000 peak 6930 weight 0.10000E+01 volume -0.16120E+01 ppm1 4.159 ppm2 1.040
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
2.700 2.700 0.000 peak 8590 weight 0.10000E+01 volume 0.33760E+01 ppm1 0.703 ppm2 1.034
ASSI (
(( segid " " and resid 1174 and name HG2 ))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 8546 weight 0.10000E+01 volume 0.40300E+00 ppm1 2.007 ppm2 1.031
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
6.000 6.000 0.000 peak 7781 weight 0.10000E+01 volume 0.36100E+00 ppm1 0.146 ppm2 1.024
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 7791 weight 0.10000E+01 volume -0.40200E+00 ppm1 7.164 ppm2 1.030
ASSI (
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
)(
(( segid " " and resid 1169 and name HN ))
)
5.000 5.000 0.000 peak 9475 weight 0.10000E+01 volume 0.46100E+00 ppm1 0.818 ppm2 8.242
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1169 and name HN ))
)
6.000 6.000 0.000 peak 8584 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.705 ppm2 8.231
ASSI (
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)(
(( segid " " and resid 1169 and name HN ))
)
6.000 6.000 0.000 peak 9618 weight 0.10000E+01 volume 0.28100E+00 ppm1 0.918 ppm2 8.249
ASSI (
(( segid " " and resid 1190 and name HA ))
)(
(( segid " " and resid 1169 and name HN ))
)
5.000 5.000 0.000 peak 6285 weight 0.10000E+01 volume -0.41500E+00 ppm1 5.355 ppm2 8.237
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1170 and name HA ))
)
6.000 6.000 0.000 peak 6923 weight 0.10000E+01 volume -0.38100E+00 ppm1 4.093 ppm2 4.683
ASSI (
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)(
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 7752 weight 0.10000E+01 volume 0.20600E+00 ppm1 0.658 ppm2 3.725
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1171 and name HG2 ))
)
5.000 5.000 0.000 peak 6925 weight 0.10000E+01 volume -0.10740E+01 ppm1 4.093 ppm2 1.684
ASSI (
(( segid " " and resid 1170 and name HA ))
)(
(( segid " " and resid 1171 and name HN ))
)
5.000 5.000 0.000 peak 2867 weight 0.10000E+01 volume -0.15380E+01 ppm1 4.685 ppm2 9.009
ASSI (
(( segid " " and resid 1172 and name HB1 ))
)(
(( segid " " and resid 1172 and name HA ))
)
5.000 5.000 0.000 peak 8566 weight 0.10000E+01 volume 0.12580E+01 ppm1 1.900 ppm2 3.911
ASSI (
(( segid " " and resid 1172 and name HB2 ))
)(
(( segid " " and resid 1172 and name HA ))
)
5.000 5.000 0.000 peak 8565 weight 0.10000E+01 volume 0.11590E+01 ppm1 1.795 ppm2 3.910
ASSI (
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)(
(( segid " " and resid 1172 and name HA ))
)
5.000 5.000 0.000 peak 8567 weight 0.10000E+01 volume 0.14880E+01 ppm1 2.212 ppm2 3.903
ASSI (
(( segid " " and resid 1172 and name HB1 ))
)(
(( segid " " and resid 1172 and name HG2 ))
)
2.700 2.700 0.000 peak 8571 weight 0.10000E+01 volume 0.35330E+01 ppm1 1.900 ppm2 2.204
ASSI (
(( segid " " and resid 1172 and name HB2 ))
)(
(( segid " " and resid 1172 and name HG2 ))
)
3.300 3.300 0.000 peak 8570 weight 0.10000E+01 volume 0.23650E+01 ppm1 1.787 ppm2 2.205
ASSI (
(( segid " " and resid 1173 and name HB ))
)(
(( segid " " and resid 1173 and name HA ))
)
6.000 6.000 0.000 peak 6910 weight 0.10000E+01 volume 0.38500E+00 ppm1 1.126 ppm2 3.211
ASSI (
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 6912 weight 0.10000E+01 volume 0.47700E+00 ppm1 0.659 ppm2 3.211
ASSI (
(( segid " " and resid 1173 and name HG12))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 6911 weight 0.10000E+01 volume 0.90600E+00 ppm1 0.745 ppm2 3.211
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 7747 weight 0.10000E+01 volume 0.14440E+01 ppm1 -0.391 ppm2 3.211
ASSI (
(( segid " " and resid 1176 and name HB1 ))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 6908 weight 0.10000E+01 volume 0.11070E+01 ppm1 2.639 ppm2 3.210
ASSI (
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 6909 weight 0.10000E+01 volume 0.91300E+00 ppm1 2.584 ppm2 3.208
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1173 and name HB ))
)
5.000 5.000 0.000 peak 7744 weight 0.10000E+01 volume 0.15210E+01 ppm1 -0.393 ppm2 1.139
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
2.700 2.700 0.000 peak 7740 weight 0.10000E+01 volume 0.35120E+01 ppm1 -0.391 ppm2 0.659
ASSI (
(( segid " " and resid 1173 and name HA ))
)(
(( segid " " and resid 1173 and name HG11))
)
5.000 5.000 0.000 peak 6904 weight 0.10000E+01 volume -0.44900E+00 ppm1 3.205 ppm2 1.326
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1173 and name HG11))
)
5.000 5.000 0.000 peak 7743 weight 0.10000E+01 volume 0.68500E+00 ppm1 -0.393 ppm2 1.321
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1173 and name HG12))
)
5.000 5.000 0.000 peak 7742 weight 0.10000E+01 volume 0.10670E+01 ppm1 -0.391 ppm2 0.756
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 6899 weight 0.10000E+01 volume -0.23600E+00 ppm1 3.513 ppm2 -0.391
ASSI (
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 3023 weight 0.10000E+01 volume -0.28900E+00 ppm1 6.791 ppm2 -0.394
ASSI (
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
5.000 5.000 0.000 peak 7631 weight 0.10000E+01 volume -0.96300E+00 ppm1 6.580 ppm2 -0.388
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 7430 weight 0.10000E+01 volume 0.22800E+00 ppm1 0.374 ppm2 -0.390
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 7710 weight 0.10000E+01 volume -0.19500E+00 ppm1 6.786 ppm2 -0.388
ASSI (
(( segid " " and resid 1172 and name HB1 ))
)(
(( segid " " and resid 1173 and name HN ))
)
5.000 5.000 0.000 peak 8572 weight 0.10000E+01 volume 0.53100E+00 ppm1 1.903 ppm2 7.373
ASSI (
(( segid " " and resid 1172 and name HB2 ))
)(
(( segid " " and resid 1173 and name HN ))
)
5.000 5.000 0.000 peak 8573 weight 0.10000E+01 volume 0.41600E+00 ppm1 1.795 ppm2 7.367
ASSI (
(( segid " " and resid 1173 and name HB ))
)(
(( segid " " and resid 1173 and name HN ))
)
5.000 5.000 0.000 peak 8558 weight 0.10000E+01 volume 0.76900E+00 ppm1 1.128 ppm2 7.367
ASSI (
(( segid " " and resid 1174 and name HG2 ))
)(
(( segid " " and resid 1174 and name HA ))
)
5.000 5.000 0.000 peak 2750 weight 0.10000E+01 volume 0.55100E+00 ppm1 2.010 ppm2 3.507
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1174 and name HA ))
)
5.000 5.000 0.000 peak 2763 weight 0.10000E+01 volume 0.89400E+00 ppm1 0.369 ppm2 3.494
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1174 and name HA ))
)
6.000 6.000 0.000 peak 6369 weight 0.10000E+01 volume 0.14400E+00 ppm1 0.742 ppm2 3.487
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1174 and name HG1 ))
)
5.000 5.000 0.000 peak 6891 weight 0.10000E+01 volume -0.71400E+00 ppm1 3.500 ppm2 2.864
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1174 and name HN ))
)
5.000 5.000 0.000 peak 6921 weight 0.10000E+01 volume -0.44400E+00 ppm1 4.094 ppm2 7.457
ASSI (
(( segid " " and resid 1173 and name HB ))
)(
(( segid " " and resid 1174 and name HN ))
)
5.000 5.000 0.000 peak 8559 weight 0.10000E+01 volume 0.43700E+00 ppm1 1.127 ppm2 7.460
ASSI (
(( segid " " and resid 1174 and name HA ))
)(
(( segid " " and resid 1174 and name HN ))
)
5.000 5.000 0.000 peak 2903 weight 0.10000E+01 volume -0.71100E+00 ppm1 3.498 ppm2 7.453
ASSI (
(( segid " " and resid 1175 and name HG2 ))
)(
(( segid " " and resid 1175 and name HA ))
)
5.000 5.000 0.000 peak 9396 weight 0.10000E+01 volume 0.83100E+00 ppm1 2.289 ppm2 3.957
ASSI (
(( segid " " and resid 1175 and name HA ))
)(
(( segid " " and resid 1175 and name HB1 ))
)
3.300 3.300 0.000 peak 2826 weight 0.10000E+01 volume -0.24120E+01 ppm1 3.968 ppm2 2.058
ASSI (
(( segid " " and resid 1175 and name HA ))
)(
(( segid " " and resid 1175 and name HB2 ))
)
3.300 3.300 0.000 peak 6883 weight 0.10000E+01 volume -0.21020E+01 ppm1 3.964 ppm2 2.011
ASSI (
(( segid " " and resid 1175 and name HA ))
)(
(( segid " " and resid 1175 and name HG1 ))
)
5.000 5.000 0.000 peak 6881 weight 0.10000E+01 volume -0.10870E+01 ppm1 3.966 ppm2 2.346
ASSI (
(( segid " " and resid 1175 and name HA ))
)(
(( segid " " and resid 1175 and name HN ))
)
3.300 3.300 0.000 peak 3007 weight 0.10000E+01 volume -0.16110E+01 ppm1 3.967 ppm2 7.816
ASSI (
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1175 and name HN ))
)
5.000 5.000 0.000 peak 8290 weight 0.10000E+01 volume 0.13850E+01 ppm1 2.062 ppm2 7.810
ASSI (
(( segid " " and resid 1175 and name HB2 ))
)(
(( segid " " and resid 1175 and name HN ))
)
5.000 5.000 0.000 peak 8289 weight 0.10000E+01 volume 0.14440E+01 ppm1 2.007 ppm2 7.814
ASSI (
(( segid " " and resid 1176 and name HB1 ))
)(
(( segid " " and resid 1176 and name HA ))
)
3.300 3.300 0.000 peak 8496 weight 0.10000E+01 volume 0.21710E+01 ppm1 2.639 ppm2 4.375
ASSI (
(( segid " " and resid 1176 and name HA ))
)(
(( segid " " and resid 1176 and name HB2 ))
)
2.700 2.700 0.000 peak 8277 weight 0.10000E+01 volume -0.31710E+01 ppm1 4.375 ppm2 2.582
ASSI (
(( segid " " and resid 1176 and name HB1 ))
)(
(( segid " " and resid 1176 and name HD21))
)
5.000 5.000 0.000 peak 8439 weight 0.10000E+01 volume 0.55300E+00 ppm1 2.640 ppm2 6.985
ASSI (
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1176 and name HD21))
)
5.000 5.000 0.000 peak 8440 weight 0.10000E+01 volume 0.55700E+00 ppm1 2.585 ppm2 6.985
ASSI (
(( segid " " and resid 1176 and name HB1 ))
)(
(( segid " " and resid 1176 and name HD22))
)
5.000 5.000 0.000 peak 8498 weight 0.10000E+01 volume 0.62100E+00 ppm1 2.635 ppm2 6.806
ASSI (
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1176 and name HD22))
)
5.000 5.000 0.000 peak 7493 weight 0.10000E+01 volume 0.11890E+01 ppm1 2.586 ppm2 6.806
ASSI (
(( segid " " and resid 1175 and name HA ))
)(
(( segid " " and resid 1176 and name HN ))
)
5.000 5.000 0.000 peak 3400 weight 0.10000E+01 volume -0.55700E+00 ppm1 3.965 ppm2 7.566
ASSI (
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1176 and name HN ))
)
5.000 5.000 0.000 peak 8288 weight 0.10000E+01 volume 0.64500E+00 ppm1 2.061 ppm2 7.546
ASSI (
(( segid " " and resid 1176 and name HB2 ))
)(
(( segid " " and resid 1176 and name HN ))
)
3.300 3.300 0.000 peak 8499 weight 0.10000E+01 volume 0.20160E+01 ppm1 2.582 ppm2 7.548
ASSI (
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)(
(( segid " " and resid 1177 and name HA ))
)
6.000 6.000 0.000 peak 2934 weight 0.10000E+01 volume -0.20500E+00 ppm1 6.787 ppm2 4.733
ASSI (
(( segid " " and resid 1227 and name HA ))
)(
(( segid " " and resid 1177 and name HB2 ))
)
5.000 5.000 0.000 peak 6611 weight 0.10000E+01 volume -0.62200E+00 ppm1 4.549 ppm2 2.683
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)
5.000 5.000 0.000 peak 7632 weight 0.10000E+01 volume 0.56400E+00 ppm1 -0.391 ppm2 6.579
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1177 and name HE2 ))
)
5.000 5.000 0.000 peak 7716 weight 0.10000E+01 volume -0.58900E+00 ppm1 6.789 ppm2 6.585
ASSI (
(( segid " " and resid 1177 and name HA ))
)(
(( segid " " and resid 1177 and name HN ))
)
5.000 5.000 0.000 peak 8453 weight 0.10000E+01 volume -0.61800E+00 ppm1 4.732 ppm2 7.886
ASSI (
(( segid " " and resid 1177 and name HB1 ))
)(
(( segid " " and resid 1177 and name HN ))
)
5.000 5.000 0.000 peak 8467 weight 0.10000E+01 volume 0.53300E+00 ppm1 3.710 ppm2 7.898
ASSI (
(( segid " " and resid 1177 and name HB2 ))
)(
(( segid " " and resid 1177 and name HN ))
)
5.000 5.000 0.000 peak 8458 weight 0.10000E+01 volume 0.76700E+00 ppm1 2.677 ppm2 7.881
ASSI (
(( segid " " and resid 1178 and name HB1 ))
)(
(( segid " " and resid 1178 and name HA ))
)
5.000 5.000 0.000 peak 8424 weight 0.10000E+01 volume 0.43500E+00 ppm1 2.831 ppm2 3.926
ASSI (
(( segid " " and resid 1178 and name HB2 ))
)(
(( segid " " and resid 1178 and name HA ))
)
5.000 5.000 0.000 peak 8425 weight 0.10000E+01 volume 0.58700E+00 ppm1 1.206 ppm2 3.921
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1178 and name HB1 ))
)
5.000 5.000 0.000 peak 8091 weight 0.10000E+01 volume -0.54500E+00 ppm1 6.656 ppm2 2.813
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1178 and name HB2 ))
)
6.000 6.000 0.000 peak 8097 weight 0.10000E+01 volume -0.39000E+00 ppm1 6.651 ppm2 1.200
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1178 and name HD21))
)
6.000 6.000 0.000 peak 8095 weight 0.10000E+01 volume -0.21200E+00 ppm1 6.641 ppm2 7.141
ASSI (
(( segid " " and resid 1179 and name HB ))
)(
(( segid " " and resid 1179 and name HA ))
)
5.000 5.000 0.000 peak 6326 weight 0.10000E+01 volume 0.72500E+00 ppm1 1.806 ppm2 5.236
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1179 and name HA ))
)
5.000 5.000 0.000 peak 6361 weight 0.10000E+01 volume 0.10280E+01 ppm1 0.741 ppm2 5.229
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1179 and name HA ))
)
5.000 5.000 0.000 peak 6328 weight 0.10000E+01 volume -0.11610E+01 ppm1 5.103 ppm2 5.240
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1179 and name HB ))
)
5.000 5.000 0.000 peak 7434 weight 0.10000E+01 volume 0.66800E+00 ppm1 0.370 ppm2 1.809
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1179 and name HB ))
)
5.000 5.000 0.000 peak 6374 weight 0.10000E+01 volume 0.10960E+01 ppm1 0.741 ppm2 1.803
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 7741 weight 0.10000E+01 volume 0.28900E+00 ppm1 -0.392 ppm2 0.374
ASSI (
(( segid " " and resid 1174 and name HG1 ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 8543 weight 0.10000E+01 volume 0.22800E+00 ppm1 2.862 ppm2 0.378
ASSI (
(( segid " " and resid 1174 and name HG2 ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 8545 weight 0.10000E+01 volume 0.37100E+00 ppm1 2.009 ppm2 0.372
ASSI (
(( segid " " and resid 1179 and name HA ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 6323 weight 0.10000E+01 volume -0.19700E+00 ppm1 5.226 ppm2 0.375
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
3.300 3.300 0.000 peak 6376 weight 0.10000E+01 volume 0.24180E+01 ppm1 0.744 ppm2 0.374
ASSI (
(( segid " " and resid 1225 and name HA ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
5.000 5.000 0.000 peak 2808 weight 0.10000E+01 volume -0.54000E+00 ppm1 4.160 ppm2 0.381
ASSI (
(( segid " " and resid 1225 and name HB1 ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 7487 weight 0.10000E+01 volume 0.25700E+00 ppm1 2.541 ppm2 0.377
ASSI (
(( segid " " and resid 1225 and name HB2 ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 7488 weight 0.10000E+01 volume 0.26000E+00 ppm1 2.494 ppm2 0.378
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
5.000 5.000 0.000 peak 7289 weight 0.10000E+01 volume -0.62900E+00 ppm1 2.855 ppm2 0.376
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
3.300 3.300 0.000 peak 7431 weight 0.10000E+01 volume 0.29040E+01 ppm1 0.374 ppm2 0.732
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
5.000 5.000 0.000 peak 6359 weight 0.10000E+01 volume -0.14090E+01 ppm1 5.102 ppm2 0.748
ASSI (
(( segid " " and resid 1226 and name HD1 ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
6.000 6.000 0.000 peak 7306 weight 0.10000E+01 volume -0.34800E+00 ppm1 3.449 ppm2 0.706
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
6.000 6.000 0.000 peak 7288 weight 0.10000E+01 volume -0.35100E+00 ppm1 2.853 ppm2 0.726
ASSI (
(( segid " " and resid 1179 and name HA ))
)(
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
5.000 5.000 0.000 peak 6324 weight 0.10000E+01 volume -0.43800E+00 ppm1 5.227 ppm2 1.199
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
5.000 5.000 0.000 peak 8388 weight 0.10000E+01 volume 0.46400E+00 ppm1 0.488 ppm2 1.212
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
3.300 3.300 0.000 peak 8179 weight 0.10000E+01 volume 0.24720E+01 ppm1 0.612 ppm2 1.228
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1181 and name HA ))
)
5.000 5.000 0.000 peak 6312 weight 0.10000E+01 volume -0.78700E+00 ppm1 5.271 ppm2 4.349
ASSI (
(( segid " " and resid 1181 and name HB2 ))
)(
(( segid " " and resid 1181 and name HB1 ))
)
5.000 5.000 0.000 peak 8374 weight 0.10000E+01 volume 0.11650E+01 ppm1 1.353 ppm2 1.523
ASSI (
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)(
(( segid " " and resid 1181 and name HB1 ))
)
5.000 5.000 0.000 peak 8402 weight 0.10000E+01 volume 0.11430E+01 ppm1 0.800 ppm2 1.517
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1181 and name HB1 ))
)
3.300 3.300 0.000 peak 8390 weight 0.10000E+01 volume 0.17240E+01 ppm1 0.491 ppm2 1.535
ASSI (
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)(
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 8400 weight 0.10000E+01 volume 0.14330E+01 ppm1 0.800 ppm2 1.361
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 8384 weight 0.10000E+01 volume 0.15320E+01 ppm1 0.491 ppm2 1.359
ASSI (
(( segid " " and resid 1181 and name HA ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
3.300 3.300 0.000 peak 6334 weight 0.10000E+01 volume -0.28410E+01 ppm1 4.352 ppm2 0.487
ASSI (
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
2.700 2.700 0.000 peak 8399 weight 0.10000E+01 volume 0.32340E+01 ppm1 0.799 ppm2 0.492
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
3.300 3.300 0.000 peak 7780 weight 0.10000E+01 volume 0.22070E+01 ppm1 0.146 ppm2 0.490
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
5.000 5.000 0.000 peak 6318 weight 0.10000E+01 volume -0.43200E+00 ppm1 5.273 ppm2 0.489
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
5.000 5.000 0.000 peak 7789 weight 0.10000E+01 volume -0.41300E+00 ppm1 7.170 ppm2 0.503
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1181 and name HG ))
)
3.300 3.300 0.000 peak 8389 weight 0.10000E+01 volume 0.22860E+01 ppm1 0.489 ppm2 1.602
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1181 and name HN ))
)
5.000 5.000 0.000 peak 8396 weight 0.10000E+01 volume 0.60500E+00 ppm1 0.491 ppm2 8.342
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1182 and name HA ))
)
6.000 6.000 0.000 peak 6859 weight 0.10000E+01 volume 0.37600E+00 ppm1 2.749 ppm2 3.790
ASSI (
(( segid " " and resid 1182 and name HG2 ))
)(
(( segid " " and resid 1182 and name HA ))
)
6.000 6.000 0.000 peak 8352 weight 0.10000E+01 volume 0.17600E+00 ppm1 0.600 ppm2 3.792
ASSI (
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)(
(( segid " " and resid 1182 and name HA ))
)
5.000 5.000 0.000 peak 6861 weight 0.10000E+01 volume 0.50000E+00 ppm1 0.776 ppm2 3.796
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1182 and name HA ))
)
5.000 5.000 0.000 peak 8181 weight 0.10000E+01 volume 0.73600E+00 ppm1 0.611 ppm2 3.795
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 7537 weight 0.10000E+01 volume 0.11460E+01 ppm1 2.750 ppm2 1.175
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 8063 weight 0.10000E+01 volume 0.10740E+01 ppm1 2.556 ppm2 1.172
ASSI (
(( segid " " and resid 1182 and name HG1 ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 9389 weight 0.10000E+01 volume 0.52600E+00 ppm1 0.893 ppm2 1.171
ASSI (
(( segid " " and resid 1182 and name HG2 ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 9390 weight 0.10000E+01 volume 0.63300E+00 ppm1 0.606 ppm2 1.171
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1182 and name HD1 ))
)
2.700 2.700 0.000 peak 8054 weight 0.10000E+01 volume 0.64380E+01 ppm1 2.556 ppm2 2.753
ASSI (
(( segid " " and resid 1182 and name HB1 ))
)(
(( segid " " and resid 1182 and name HD2 ))
)
6.000 6.000 0.000 peak 8363 weight 0.10000E+01 volume 0.16000E+00 ppm1 1.175 ppm2 2.557
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1182 and name HE ))
)
6.000 6.000 0.000 peak 8046 weight 0.10000E+01 volume 0.28500E+00 ppm1 2.745 ppm2 6.762
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1182 and name HE ))
)
6.000 6.000 0.000 peak 8047 weight 0.10000E+01 volume 0.22300E+00 ppm1 2.567 ppm2 6.760
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
5.000 5.000 0.000 peak 8065 weight 0.10000E+01 volume 0.99000E+00 ppm1 2.751 ppm2 0.902
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
5.000 5.000 0.000 peak 8064 weight 0.10000E+01 volume 0.78400E+00 ppm1 2.559 ppm2 0.905
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 8068 weight 0.10000E+01 volume 0.96900E+00 ppm1 2.753 ppm2 0.623
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 8069 weight 0.10000E+01 volume 0.11500E+01 ppm1 2.559 ppm2 0.617
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1182 and name HN ))
)
5.000 5.000 0.000 peak 8395 weight 0.10000E+01 volume 0.54500E+00 ppm1 0.492 ppm2 8.092
ASSI (
(( segid " " and resid 1182 and name HA ))
)(
(( segid " " and resid 1182 and name HN ))
)
5.000 5.000 0.000 peak 6857 weight 0.10000E+01 volume -0.57200E+00 ppm1 3.796 ppm2 8.100
ASSI (
(( segid " " and resid 1182 and name HB1 ))
)(
(( segid " " and resid 1182 and name HN ))
)
5.000 5.000 0.000 peak 8367 weight 0.10000E+01 volume 0.54900E+00 ppm1 1.189 ppm2 8.102
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1182 and name HN ))
)
5.000 5.000 0.000 peak 6309 weight 0.10000E+01 volume -0.56000E+00 ppm1 5.275 ppm2 8.097
ASSI (
(( segid " " and resid 1183 and name HA ))
)(
(( segid " " and resid 1183 and name HB1 ))
)
3.300 3.300 0.000 peak 6516 weight 0.10000E+01 volume -0.17110E+01 ppm1 4.864 ppm2 3.273
ASSI (
(( segid " " and resid 1183 and name HE3 ))
)(
(( segid " " and resid 1183 and name HB1 ))
)
6.000 6.000 0.000 peak 8339 weight 0.10000E+01 volume -0.39100E+00 ppm1 7.650 ppm2 3.272
ASSI (
(( segid " " and resid 1183 and name HE3 ))
)(
(( segid " " and resid 1183 and name HB2 ))
)
5.000 5.000 0.000 peak 8342 weight 0.10000E+01 volume -0.47300E+00 ppm1 7.650 ppm2 3.233
ASSI (
(( segid " " and resid 1182 and name HA ))
)(
(( segid " " and resid 1183 and name HN ))
)
5.000 5.000 0.000 peak 2875 weight 0.10000E+01 volume -0.72400E+00 ppm1 3.794 ppm2 8.466
ASSI (
(( segid " " and resid 1183 and name HA ))
)(
(( segid " " and resid 1183 and name HN ))
)
5.000 5.000 0.000 peak 6511 weight 0.10000E+01 volume -0.49200E+00 ppm1 4.864 ppm2 8.467
ASSI (
(( segid " " and resid 1183 and name HD1 ))
)(
(( segid " " and resid 1183 and name HN ))
)
6.000 6.000 0.000 peak 9448 weight 0.10000E+01 volume -0.10500E+00 ppm1 7.308 ppm2 8.485
ASSI (
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)(
(( segid " " and resid 1184 and name HA ))
)
5.000 5.000 0.000 peak 6855 weight 0.10000E+01 volume 0.12130E+01 ppm1 1.112 ppm2 3.977
ASSI (
(( segid " " and resid 1184 and name HA ))
)(
(( segid " " and resid 1184 and name HB ))
)
2.700 2.700 0.000 peak 6850 weight 0.10000E+01 volume -0.31150E+01 ppm1 3.975 ppm2 4.180
ASSI (
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)(
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)
3.300 3.300 0.000 peak 8176 weight 0.10000E+01 volume 0.29700E+01 ppm1 0.785 ppm2 1.124
ASSI (
(( segid " " and resid 1183 and name HA ))
)(
(( segid " " and resid 1184 and name HN ))
)
5.000 5.000 0.000 peak 6513 weight 0.10000E+01 volume -0.14200E+01 ppm1 4.864 ppm2 7.580
ASSI (
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
)(
(( segid " " and resid 1185 and name HN ))
)
3.300 3.300 0.000 peak 8330 weight 0.10000E+01 volume 0.25020E+01 ppm1 1.419 ppm2 8.251
ASSI (
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
)(
(( segid " " and resid 1186 and name HN ))
)
5.000 5.000 0.000 peak 8329 weight 0.10000E+01 volume 0.11270E+01 ppm1 1.417 ppm2 7.735
ASSI (
(( segid " " and resid 1175 and name HB1 ))
)(
(( segid " " and resid 1187 and name HA ))
)
5.000 5.000 0.000 peak 8293 weight 0.10000E+01 volume 0.13470E+01 ppm1 2.046 ppm2 4.147
ASSI (
(( segid " " and resid 1187 and name HG1 ))
)(
(( segid " " and resid 1187 and name HA ))
)
5.000 5.000 0.000 peak 9374 weight 0.10000E+01 volume 0.78100E+00 ppm1 2.312 ppm2 4.137
ASSI (
(( segid " " and resid 1187 and name HG2 ))
)(
(( segid " " and resid 1187 and name HA ))
)
5.000 5.000 0.000 peak 9375 weight 0.10000E+01 volume 0.54500E+00 ppm1 2.227 ppm2 4.141
ASSI (
(( segid " " and resid 1171 and name HA ))
)(
(( segid " " and resid 1187 and name HG2 ))
)
5.000 5.000 0.000 peak 3485 weight 0.10000E+01 volume -0.11770E+01 ppm1 4.091 ppm2 2.231
ASSI (
(( segid " " and resid 1188 and name HB1 ))
)(
(( segid " " and resid 1187 and name HN ))
)
5.000 5.000 0.000 peak 8301 weight 0.10000E+01 volume 0.78000E+00 ppm1 1.737 ppm2 8.049
ASSI (
(( segid " " and resid 1188 and name HB2 ))
)(
(( segid " " and resid 1187 and name HN ))
)
5.000 5.000 0.000 peak 8906 weight 0.10000E+01 volume 0.54500E+00 ppm1 1.622 ppm2 8.043
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1189 and name HA ))
)
5.000 5.000 0.000 peak 8583 weight 0.10000E+01 volume 0.44500E+00 ppm1 0.704 ppm2 4.346
ASSI (
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)(
(( segid " " and resid 1189 and name HA ))
)
5.000 5.000 0.000 peak 8256 weight 0.10000E+01 volume 0.43400E+00 ppm1 0.915 ppm2 4.351
ASSI (
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)(
(( segid " " and resid 1189 and name HB1 ))
)
3.300 3.300 0.000 peak 9299 weight 0.10000E+01 volume 0.16140E+01 ppm1 0.763 ppm2 1.750
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1189 and name HB1 ))
)
6.000 6.000 0.000 peak 7679 weight 0.10000E+01 volume -0.31400E+00 ppm1 6.844 ppm2 1.770
ASSI (
(( segid " " and resid 1189 and name HB1 ))
)(
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)
5.000 5.000 0.000 peak 8265 weight 0.10000E+01 volume 0.12180E+01 ppm1 1.765 ppm2 0.922
ASSI (
(( segid " " and resid 1189 and name HB2 ))
)(
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)
5.000 5.000 0.000 peak 8264 weight 0.10000E+01 volume 0.13880E+01 ppm1 1.561 ppm2 0.917
ASSI (
(( segid " " and resid 1189 and name HG ))
)(
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)
3.300 3.300 0.000 peak 9370 weight 0.10000E+01 volume 0.23360E+01 ppm1 1.513 ppm2 0.923
ASSI (
(( segid " " and resid 1189 and name HA ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)
3.300 3.300 0.000 peak 6960 weight 0.10000E+01 volume -0.28390E+01 ppm1 4.340 ppm2 0.773
ASSI (
(( segid " " and resid 1189 and name HB2 ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)
5.000 5.000 0.000 peak 8258 weight 0.10000E+01 volume 0.88200E+00 ppm1 1.561 ppm2 0.773
ASSI (
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)
2.700 2.700 0.000 peak 9613 weight 0.10000E+01 volume 0.35300E+01 ppm1 0.912 ppm2 0.760
ASSI (
(( segid " " and resid 1189 and name HG ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)
3.300 3.300 0.000 peak 9369 weight 0.10000E+01 volume 0.28250E+01 ppm1 1.513 ppm2 0.779
ASSI (
(( segid " " and resid 1189 and name HB1 ))
)(
(( segid " " and resid 1189 and name HN ))
)
5.000 5.000 0.000 peak 8261 weight 0.10000E+01 volume 0.66900E+00 ppm1 1.766 ppm2 8.436
ASSI (
(( segid " " and resid 1189 and name HB2 ))
)(
(( segid " " and resid 1189 and name HN ))
)
5.000 5.000 0.000 peak 8260 weight 0.10000E+01 volume 0.72100E+00 ppm1 1.561 ppm2 8.443
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1190 and name HA ))
)
6.000 6.000 0.000 peak 7681 weight 0.10000E+01 volume -0.13600E+00 ppm1 6.850 ppm2 5.369
ASSI (
(( segid " " and resid 1190 and name HA ))
)(
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
)
3.300 3.300 0.000 peak 6290 weight 0.10000E+01 volume -0.16210E+01 ppm1 5.355 ppm2 2.793
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
5.000 5.000 0.000 peak 7687 weight 0.10000E+01 volume 0.54200E+00 ppm1 0.432 ppm2 6.846
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
6.000 6.000 0.000 peak 7688 weight 0.10000E+01 volume 0.33700E+00 ppm1 0.629 ppm2 6.842
ASSI (
(( segid " " and resid 1189 and name HB1 ))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
6.000 6.000 0.000 peak 9608 weight 0.10000E+01 volume 0.21000E+00 ppm1 1.765 ppm2 6.852
ASSI (
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
5.000 5.000 0.000 peak 8252 weight 0.10000E+01 volume 0.65700E+00 ppm1 2.763 ppm2 6.845
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
6.000 6.000 0.000 peak 7849 weight 0.10000E+01 volume 0.37700E+00 ppm1 0.431 ppm2 6.699
ASSI (
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
6.000 6.000 0.000 peak 9297 weight 0.10000E+01 volume 0.19900E+00 ppm1 0.767 ppm2 6.738
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
2.700 2.700 0.000 peak 7683 weight 0.10000E+01 volume -0.31000E+01 ppm1 6.848 ppm2 6.735
ASSI (
(( segid " " and resid 1189 and name HA ))
)(
(( segid " " and resid 1190 and name HN ))
)
5.000 5.000 0.000 peak 8254 weight 0.10000E+01 volume -0.90500E+00 ppm1 4.337 ppm2 7.385
ASSI (
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)(
(( segid " " and resid 1190 and name HN ))
)
6.000 6.000 0.000 peak 7454 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.913 ppm2 7.368
ASSI (
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)(
(( segid " " and resid 1190 and name HN ))
)
6.000 6.000 0.000 peak 9296 weight 0.10000E+01 volume 0.18700E+00 ppm1 0.767 ppm2 7.375
ASSI (
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
)(
(( segid " " and resid 1190 and name HN ))
)
5.000 5.000 0.000 peak 8250 weight 0.10000E+01 volume 0.56900E+00 ppm1 2.763 ppm2 7.384
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1190 and name HN ))
)
6.000 6.000 0.000 peak 7682 weight 0.10000E+01 volume -0.37300E+00 ppm1 6.848 ppm2 7.388
ASSI (
(( segid " " and resid 1168 and name HA ))
)(
(( segid " " and resid 1191 and name HN ))
)
6.000 6.000 0.000 peak 8617 weight 0.10000E+01 volume -0.22800E+00 ppm1 4.203 ppm2 8.839
ASSI (
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
)(
(( segid " " and resid 1191 and name HN ))
)
6.000 6.000 0.000 peak 8251 weight 0.10000E+01 volume 0.33500E+00 ppm1 2.766 ppm2 8.855
ASSI (
(( segid " " and resid 1192 and name HA ))
)(
(( segid " " and resid 1192 and name HN ))
)
5.000 5.000 0.000 peak 6832 weight 0.10000E+01 volume -0.59300E+00 ppm1 4.246 ppm2 8.797
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 6825 weight 0.10000E+01 volume 0.82700E+00 ppm1 0.413 ppm2 3.665
ASSI (
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
5.000 5.000 0.000 peak 9310 weight 0.10000E+01 volume 0.41500E+00 ppm1 2.175 ppm2 0.416
ASSI (
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 8672 weight 0.10000E+01 volume 0.12200E+00 ppm1 2.262 ppm2 0.417
ASSI (
(( segid " " and resid 1164 and name HG ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
3.300 3.300 0.000 peak 8662 weight 0.10000E+01 volume 0.17720E+01 ppm1 0.636 ppm2 0.414
ASSI (
(( segid " " and resid 1193 and name HB ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
5.000 5.000 0.000 peak 8243 weight 0.10000E+01 volume -0.12830E+01 ppm1 3.564 ppm2 0.420
ASSI (
(( segid " " and resid 1194 and name HA1 ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 6820 weight 0.10000E+01 volume -0.23100E+00 ppm1 4.406 ppm2 0.422
ASSI (
(( segid " " and resid 1194 and name HA2 ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 6743 weight 0.10000E+01 volume -0.31600E+00 ppm1 3.586 ppm2 0.412
ASSI (
(( segid " " and resid 1166 and name HA ))
)(
(( segid " " and resid 1193 and name HN ))
)
6.000 6.000 0.000 peak 6518 weight 0.10000E+01 volume -0.29800E+00 ppm1 4.843 ppm2 9.062
ASSI (
(( segid " " and resid 1192 and name HA ))
)(
(( segid " " and resid 1193 and name HN ))
)
5.000 5.000 0.000 peak 6829 weight 0.10000E+01 volume -0.63700E+00 ppm1 4.248 ppm2 9.059
ASSI (
(( segid " " and resid 1193 and name HB ))
)(
(( segid " " and resid 1193 and name HN ))
)
5.000 5.000 0.000 peak 8238 weight 0.10000E+01 volume -0.54100E+00 ppm1 3.563 ppm2 9.058
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)(
(( segid " " and resid 1194 and name HA1 ))
)
5.000 5.000 0.000 peak 9323 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.046 ppm2 4.400
ASSI (
(( segid " " and resid 1194 and name HA1 ))
)(
(( segid " " and resid 1194 and name HA2 ))
)
2.700 2.700 0.000 peak 6745 weight 0.10000E+01 volume -0.33570E+01 ppm1 4.410 ppm2 3.590
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)(
(( segid " " and resid 1194 and name HA2 ))
)
5.000 5.000 0.000 peak 8233 weight 0.10000E+01 volume 0.68400E+00 ppm1 1.045 ppm2 3.588
ASSI (
(( segid " " and resid 1194 and name HA1 ))
)(
(( segid " " and resid 1194 and name HN ))
)
5.000 5.000 0.000 peak 6816 weight 0.10000E+01 volume -0.44600E+00 ppm1 4.412 ppm2 9.167
ASSI (
(( segid " " and resid 1194 and name HA2 ))
)(
(( segid " " and resid 1194 and name HN ))
)
5.000 5.000 0.000 peak 6744 weight 0.10000E+01 volume -0.66200E+00 ppm1 3.588 ppm2 9.165
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)(
(( segid " " and resid 1194 and name HN ))
)
5.000 5.000 0.000 peak 9328 weight 0.10000E+01 volume 0.46700E+00 ppm1 1.045 ppm2 9.162
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
5.000 5.000 0.000 peak 7800 weight 0.10000E+01 volume -0.91200E+00 ppm1 3.546 ppm2 2.144
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
5.000 5.000 0.000 peak 7801 weight 0.10000E+01 volume -0.93100E+00 ppm1 3.439 ppm2 2.143
ASSI (
(( segid " " and resid 1192 and name HB2 ))
)(
(( segid " " and resid 1195 and name HG1 ))
)
5.000 5.000 0.000 peak 9714 weight 0.10000E+01 volume 0.44500E+00 ppm1 1.468 ppm2 2.243
ASSI (
(( segid " " and resid 1192 and name HB2 ))
)(
(( segid " " and resid 1195 and name HG2 ))
)
5.000 5.000 0.000 peak 9712 weight 0.10000E+01 volume 0.59500E+00 ppm1 1.468 ppm2 2.156
ASSI (
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)(
(( segid " " and resid 1196 and name HA ))
)
3.300 3.300 0.000 peak 7985 weight 0.10000E+01 volume -0.26540E+01 ppm1 3.653 ppm2 5.150
ASSI (
(( segid " " and resid 1217 and name HA ))
)(
(( segid " " and resid 1196 and name HA ))
)
3.300 3.300 0.000 peak 6336 weight 0.10000E+01 volume -0.16850E+01 ppm1 4.807 ppm2 5.149
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)(
(( segid " " and resid 1196 and name HA ))
)
6.000 6.000 0.000 peak 6339 weight 0.10000E+01 volume 0.36500E+00 ppm1 1.046 ppm2 5.154
ASSI (
(( segid " " and resid 1217 and name HA ))
)(
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)
5.000 5.000 0.000 peak 6530 weight 0.10000E+01 volume -0.69500E+00 ppm1 4.805 ppm2 3.657
ASSI (
(( segid " " and resid 1195 and name HA ))
)(
(( segid " " and resid 1196 and name HN ))
)
2.700 2.700 0.000 peak 6813 weight 0.10000E+01 volume -0.38440E+01 ppm1 4.427 ppm2 8.478
ASSI (
(( segid " " and resid 1196 and name HA ))
)(
(( segid " " and resid 1196 and name HN ))
)
5.000 5.000 0.000 peak 6332 weight 0.10000E+01 volume -0.49900E+00 ppm1 5.148 ppm2 8.477
ASSI (
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)(
(( segid " " and resid 1196 and name HN ))
)
2.700 2.700 0.000 peak 7984 weight 0.10000E+01 volume -0.32210E+01 ppm1 3.654 ppm2 8.483
ASSI (
(( segid " " and resid 1197 and name HB ))
)(
(( segid " " and resid 1197 and name HA ))
)
5.000 5.000 0.000 peak 6807 weight 0.10000E+01 volume 0.44000E+00 ppm1 1.548 ppm2 4.036
ASSI (
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)(
(( segid " " and resid 1197 and name HA ))
)
5.000 5.000 0.000 peak 6808 weight 0.10000E+01 volume 0.91400E+00 ppm1 0.622 ppm2 4.041
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1197 and name HA ))
)
5.000 5.000 0.000 peak 6809 weight 0.10000E+01 volume 0.97100E+00 ppm1 0.150 ppm2 4.040
ASSI (
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)(
(( segid " " and resid 1197 and name HB ))
)
3.300 3.300 0.000 peak 8225 weight 0.10000E+01 volume 0.26410E+01 ppm1 0.623 ppm2 1.545
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1197 and name HB ))
)
5.000 5.000 0.000 peak 9293 weight 0.10000E+01 volume 0.45200E+00 ppm1 0.527 ppm2 1.546
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1197 and name HB ))
)
5.000 5.000 0.000 peak 7857 weight 0.10000E+01 volume 0.52400E+00 ppm1 0.411 ppm2 1.547
ASSI (
(( segid " " and resid 1191 and name HB1 ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
5.000 5.000 0.000 peak 7798 weight 0.10000E+01 volume -0.15910E+01 ppm1 3.545 ppm2 0.633
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
5.000 5.000 0.000 peak 7799 weight 0.10000E+01 volume -0.14810E+01 ppm1 3.438 ppm2 0.631
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
2.700 2.700 0.000 peak 7779 weight 0.10000E+01 volume 0.40690E+01 ppm1 0.146 ppm2 0.633
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
5.000 5.000 0.000 peak 8592 weight 0.10000E+01 volume 0.11010E+01 ppm1 0.700 ppm2 0.151
ASSI (
(( segid " " and resid 1197 and name HB ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
3.300 3.300 0.000 peak 8216 weight 0.10000E+01 volume 0.17640E+01 ppm1 1.543 ppm2 0.147
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
6.000 6.000 0.000 peak 7783 weight 0.10000E+01 volume -0.26900E+00 ppm1 7.173 ppm2 0.137
ASSI (
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)(
(( segid " " and resid 1197 and name HN ))
)
5.000 5.000 0.000 peak 8229 weight 0.10000E+01 volume 0.44700E+00 ppm1 0.618 ppm2 8.971
ASSI (
(( segid " " and resid 1217 and name HA ))
)(
(( segid " " and resid 1197 and name HN ))
)
5.000 5.000 0.000 peak 6527 weight 0.10000E+01 volume -0.69800E+00 ppm1 4.806 ppm2 8.969
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1197 and name HN ))
)
5.000 5.000 0.000 peak 7837 weight 0.10000E+01 volume 0.43200E+00 ppm1 0.527 ppm2 8.961
ASSI (
(( segid " " and resid 1198 and name HB2 ))
)(
(( segid " " and resid 1198 and name HA ))
)
5.000 5.000 0.000 peak 8209 weight 0.10000E+01 volume 0.59800E+00 ppm1 1.788 ppm2 4.788
ASSI (
(( segid " " and resid 1198 and name HG1 ))
)(
(( segid " " and resid 1198 and name HA ))
)
5.000 5.000 0.000 peak 9361 weight 0.10000E+01 volume 0.42800E+00 ppm1 2.172 ppm2 4.791
ASSI (
(( segid " " and resid 1198 and name HG2 ))
)(
(( segid " " and resid 1198 and name HA ))
)
6.000 6.000 0.000 peak 5470 weight 0.10000E+01 volume 0.38700E+00 ppm1 2.048 ppm2 4.791
ASSI (
(( segid " " and resid 1182 and name HB2 ))
)(
(( segid " " and resid 1198 and name HB1 ))
)
6.000 6.000 0.000 peak 8361 weight 0.10000E+01 volume 0.18900E+00 ppm1 1.160 ppm2 1.885
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1198 and name HB1 ))
)
5.000 5.000 0.000 peak 8059 weight 0.10000E+01 volume 0.46800E+00 ppm1 2.750 ppm2 1.890
ASSI (
(( segid " " and resid 1182 and name HD2 ))
)(
(( segid " " and resid 1198 and name HB1 ))
)
6.000 6.000 0.000 peak 8061 weight 0.10000E+01 volume 0.34500E+00 ppm1 2.556 ppm2 1.884
ASSI (
(( segid " " and resid 1182 and name HD1 ))
)(
(( segid " " and resid 1198 and name HB2 ))
)
6.000 6.000 0.000 peak 8060 weight 0.10000E+01 volume 0.37300E+00 ppm1 2.751 ppm2 1.783
ASSI (
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)(
(( segid " " and resid 1198 and name HG1 ))
)
5.000 5.000 0.000 peak 9273 weight 0.10000E+01 volume 0.47200E+00 ppm1 1.454 ppm2 2.177
ASSI (
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)(
(( segid " " and resid 1198 and name HG2 ))
)
5.000 5.000 0.000 peak 9274 weight 0.10000E+01 volume 0.48300E+00 ppm1 1.455 ppm2 2.040
ASSI (
(( segid " " and resid 1197 and name HA ))
)(
(( segid " " and resid 1198 and name HN ))
)
2.700 2.700 0.000 peak 6800 weight 0.10000E+01 volume -0.36600E+01 ppm1 4.039 ppm2 7.957
ASSI (
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)(
(( segid " " and resid 1198 and name HN ))
)
5.000 5.000 0.000 peak 8228 weight 0.10000E+01 volume 0.40000E+00 ppm1 0.621 ppm2 7.958
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1198 and name HN ))
)
5.000 5.000 0.000 peak 7775 weight 0.10000E+01 volume 0.63800E+00 ppm1 0.147 ppm2 7.957
ASSI (
(( segid " " and resid 1198 and name HB1 ))
)(
(( segid " " and resid 1198 and name HN ))
)
5.000 5.000 0.000 peak 8212 weight 0.10000E+01 volume 0.59900E+00 ppm1 1.886 ppm2 7.958
ASSI (
(( segid " " and resid 1198 and name HB2 ))
)(
(( segid " " and resid 1198 and name HN ))
)
5.000 5.000 0.000 peak 8213 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.792 ppm2 7.956
ASSI (
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)(
(( segid " " and resid 1199 and name HA ))
)
6.000 6.000 0.000 peak 6311 weight 0.10000E+01 volume -0.26200E+00 ppm1 7.162 ppm2 5.276
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1199 and name HA ))
)
6.000 6.000 0.000 peak 8187 weight 0.10000E+01 volume 0.33200E+00 ppm1 0.612 ppm2 5.262
ASSI (
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)(
(( segid " " and resid 1199 and name HB1 ))
)
6.000 6.000 0.000 peak 8195 weight 0.10000E+01 volume -0.30300E+00 ppm1 7.159 ppm2 3.141
ASSI (
(( segid " " and resid 1199 and name HB2 ))
)(
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 8191 weight 0.10000E+01 volume 0.59500E+00 ppm1 2.911 ppm2 7.157
ASSI (
(( segid " " and resid 1226 and name HG1 ))
)(
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
6.000 6.000 0.000 peak 8197 weight 0.10000E+01 volume 0.24800E+00 ppm1 2.061 ppm2 7.157
ASSI (
(( segid " " and resid 1226 and name HG2 ))
)(
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
6.000 6.000 0.000 peak 8199 weight 0.10000E+01 volume 0.25600E+00 ppm1 1.684 ppm2 7.151
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 8605 weight 0.10000E+01 volume 0.70500E+00 ppm1 1.027 ppm2 7.169
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 7443 weight 0.10000E+01 volume 0.71200E+00 ppm1 0.371 ppm2 7.163
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 8394 weight 0.10000E+01 volume 0.12530E+01 ppm1 0.491 ppm2 7.166
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1199 and name HE2 ))
)
3.300 3.300 0.000 peak 7880 weight 0.10000E+01 volume 0.29630E+01 ppm1 1.136 ppm2 7.165
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 7835 weight 0.10000E+01 volume 0.59400E+00 ppm1 0.529 ppm2 7.170
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 7846 weight 0.10000E+01 volume 0.50900E+00 ppm1 0.409 ppm2 7.169
ASSI (
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)(
(( segid " " and resid 1199 and name HN ))
)
6.000 6.000 0.000 peak 8354 weight 0.10000E+01 volume 0.25200E+00 ppm1 1.176 ppm2 8.463
ASSI (
(( segid " " and resid 1198 and name HG1 ))
)(
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 9446 weight 0.10000E+01 volume 0.69700E+00 ppm1 2.173 ppm2 8.460
ASSI (
(( segid " " and resid 1198 and name HG2 ))
)(
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 9365 weight 0.10000E+01 volume 0.40600E+00 ppm1 2.051 ppm2 8.460
ASSI (
(( segid " " and resid 1199 and name HA ))
)(
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 6308 weight 0.10000E+01 volume -0.42600E+00 ppm1 5.272 ppm2 8.460
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 7914 weight 0.10000E+01 volume 0.65500E+00 ppm1 0.687 ppm2 8.458
ASSI (
(( segid " " and resid 1215 and name HA ))
)(
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 6294 weight 0.10000E+01 volume -0.45400E+00 ppm1 5.275 ppm2 8.463
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1200 and name HA ))
)
5.000 5.000 0.000 peak 8182 weight 0.10000E+01 volume 0.63700E+00 ppm1 0.609 ppm2 4.582
ASSI (
(( segid " " and resid 1200 and name HA ))
)(
(( segid " " and resid 1200 and name HB ))
)
3.300 3.300 0.000 peak 2463 weight 0.10000E+01 volume -0.16710E+01 ppm1 4.582 ppm2 2.109
ASSI (
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)(
(( segid " " and resid 1200 and name HB ))
)
3.300 3.300 0.000 peak 8174 weight 0.10000E+01 volume 0.24610E+01 ppm1 0.783 ppm2 2.111
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1200 and name HB ))
)
2.700 2.700 0.000 peak 8178 weight 0.10000E+01 volume 0.33700E+01 ppm1 0.614 ppm2 2.110
ASSI (
(( segid " " and resid 1200 and name HA ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)
3.300 3.300 0.000 peak 6768 weight 0.10000E+01 volume -0.17370E+01 ppm1 4.582 ppm2 0.780
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)
2.700 2.700 0.000 peak 8180 weight 0.10000E+01 volume 0.70580E+01 ppm1 0.609 ppm2 0.784
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
2.700 2.700 0.000 peak 8419 weight 0.10000E+01 volume 0.31290E+01 ppm1 1.222 ppm2 0.620
ASSI (
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)(
(( segid " " and resid 1201 and name HA ))
)
6.000 6.000 0.000 peak 8188 weight 0.10000E+01 volume 0.12800E+00 ppm1 0.611 ppm2 5.108
ASSI (
(( segid " " and resid 1201 and name HB2 ))
)(
(( segid " " and resid 1201 and name HA ))
)
5.000 5.000 0.000 peak 6358 weight 0.10000E+01 volume 0.72300E+00 ppm1 2.680 ppm2 5.106
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1201 and name HB1 ))
)
5.000 5.000 0.000 peak 6355 weight 0.10000E+01 volume -0.10870E+01 ppm1 5.103 ppm2 3.031
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1201 and name HB2 ))
)
3.300 3.300 0.000 peak 8165 weight 0.10000E+01 volume -0.16710E+01 ppm1 3.712 ppm2 2.675
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1201 and name HN ))
)
5.000 5.000 0.000 peak 6353 weight 0.10000E+01 volume -0.62900E+00 ppm1 5.104 ppm2 8.457
ASSI (
(( segid " " and resid 1201 and name HB1 ))
)(
(( segid " " and resid 1201 and name HN ))
)
5.000 5.000 0.000 peak 8154 weight 0.10000E+01 volume 0.41900E+00 ppm1 3.020 ppm2 8.460
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1202 and name HA ))
)
6.000 6.000 0.000 peak 8416 weight 0.10000E+01 volume 0.39300E+00 ppm1 1.222 ppm2 3.959
ASSI (
(( segid " " and resid 1202 and name HB2 ))
)(
(( segid " " and resid 1202 and name HA ))
)
5.000 5.000 0.000 peak 6763 weight 0.10000E+01 volume 0.59900E+00 ppm1 1.059 ppm2 3.967
ASSI (
(( segid " " and resid 1202 and name HG1 ))
)(
(( segid " " and resid 1202 and name HA ))
)
5.000 5.000 0.000 peak 9344 weight 0.10000E+01 volume 0.62800E+00 ppm1 1.180 ppm2 3.959
ASSI (
(( segid " " and resid 1202 and name HG2 ))
)(
(( segid " " and resid 1202 and name HA ))
)
6.000 6.000 0.000 peak 9353 weight 0.10000E+01 volume 0.28300E+00 ppm1 1.013 ppm2 3.955
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1202 and name HB2 ))
)
5.000 5.000 0.000 peak 8096 weight 0.10000E+01 volume -0.41400E+00 ppm1 6.651 ppm2 1.060
ASSI (
(( segid " " and resid 1231 and name HB2 ))
)(
(( segid " " and resid 1202 and name HD2 ))
)
5.000 5.000 0.000 peak 7332 weight 0.10000E+01 volume 0.48000E+00 ppm1 1.545 ppm2 1.309
ASSI (
(( segid " " and resid 1202 and name HD1 ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)
5.000 5.000 0.000 peak 9592 weight 0.10000E+01 volume 0.84000E+00 ppm1 1.392 ppm2 2.855
ASSI (
(( segid " " and resid 1202 and name HD2 ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)
5.000 5.000 0.000 peak 9593 weight 0.10000E+01 volume 0.66300E+00 ppm1 1.301 ppm2 2.855
ASSI (
(( segid " " and resid 1202 and name HG1 ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)
6.000 6.000 0.000 peak 9357 weight 0.10000E+01 volume 0.37500E+00 ppm1 1.187 ppm2 2.845
ASSI (
(( segid " " and resid 1202 and name HG2 ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
)
6.000 6.000 0.000 peak 9358 weight 0.10000E+01 volume 0.38700E+00 ppm1 1.024 ppm2 2.845
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1202 and name HE1 ))
)
6.000 6.000 0.000 peak 8417 weight 0.10000E+01 volume 0.31400E+00 ppm1 1.223 ppm2 2.866
ASSI (
(( segid " " and resid 1202 and name HD1 ))
)(
(( segid " " and resid 1202 and name HG1 ))
)
5.000 5.000 0.000 peak 9590 weight 0.10000E+01 volume 0.98700E+00 ppm1 1.395 ppm2 1.186
ASSI (
(( segid " " and resid 1202 and name HD2 ))
)(
(( segid " " and resid 1202 and name HG1 ))
)
5.000 5.000 0.000 peak 9591 weight 0.10000E+01 volume 0.10290E+01 ppm1 1.297 ppm2 1.186
ASSI (
(( segid " " and resid 1179 and name HA ))
)(
(( segid " " and resid 1202 and name HN ))
)
5.000 5.000 0.000 peak 6329 weight 0.10000E+01 volume -0.88700E+00 ppm1 5.227 ppm2 7.935
ASSI (
(( segid " " and resid 1201 and name HA ))
)(
(( segid " " and resid 1202 and name HN ))
)
3.300 3.300 0.000 peak 6352 weight 0.10000E+01 volume -0.19650E+01 ppm1 5.102 ppm2 7.941
ASSI (
(( segid " " and resid 1202 and name HA ))
)(
(( segid " " and resid 1202 and name HN ))
)
5.000 5.000 0.000 peak 6755 weight 0.10000E+01 volume -0.58300E+00 ppm1 3.962 ppm2 7.941
ASSI (
(( segid " " and resid 1202 and name HB2 ))
)(
(( segid " " and resid 1202 and name HN ))
)
5.000 5.000 0.000 peak 8139 weight 0.10000E+01 volume 0.52200E+00 ppm1 1.063 ppm2 7.943
ASSI (
(( segid " " and resid 1202 and name HG1 ))
)(
(( segid " " and resid 1202 and name HN ))
)
6.000 6.000 0.000 peak 9355 weight 0.10000E+01 volume 0.26800E+00 ppm1 1.186 ppm2 7.934
ASSI (
(( segid " " and resid 1202 and name HG2 ))
)(
(( segid " " and resid 1202 and name HN ))
)
6.000 6.000 0.000 peak 9354 weight 0.10000E+01 volume 0.36200E+00 ppm1 1.017 ppm2 7.936
ASSI (
(( segid " " and resid 1203 and name HG1 ))
)(
(( segid " " and resid 1203 and name HA ))
)
5.000 5.000 0.000 peak 9350 weight 0.10000E+01 volume 0.81000E+00 ppm1 1.755 ppm2 4.102
ASSI (
(( segid " " and resid 1231 and name HB2 ))
)(
(( segid " " and resid 1203 and name HB1 ))
)
6.000 6.000 0.000 peak 7330 weight 0.10000E+01 volume 0.39200E+00 ppm1 1.546 ppm2 1.861
ASSI (
(( segid " " and resid 1203 and name HA ))
)(
(( segid " " and resid 1203 and name HB2 ))
)
3.300 3.300 0.000 peak 6752 weight 0.10000E+01 volume -0.21620E+01 ppm1 4.095 ppm2 1.757
ASSI (
(( segid " " and resid 1203 and name HA ))
)(
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
)
6.000 6.000 0.000 peak 6750 weight 0.10000E+01 volume -0.30900E+00 ppm1 4.096 ppm2 3.244
ASSI (
(( segid " " and resid 1203 and name HG1 ))
)(
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
)
3.300 3.300 0.000 peak 9347 weight 0.10000E+01 volume 0.21560E+01 ppm1 1.755 ppm2 3.237
ASSI (
(( segid " " and resid 1203 and name HG2 ))
)(
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
)
3.300 3.300 0.000 peak 9348 weight 0.10000E+01 volume 0.20260E+01 ppm1 1.624 ppm2 3.237
ASSI (
(( segid " " and resid 1204 and name HA2 ))
)(
(( segid " " and resid 1204 and name HA1 ))
)
2.700 2.700 0.000 peak 6738 weight 0.10000E+01 volume -0.49650E+01 ppm1 3.611 ppm2 4.238
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1205 and name HA ))
)
6.000 6.000 0.000 peak 8088 weight 0.10000E+01 volume -0.20100E+00 ppm1 6.651 ppm2 4.801
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1205 and name HA ))
)
6.000 6.000 0.000 peak 7384 weight 0.10000E+01 volume -0.20000E+00 ppm1 3.722 ppm2 4.796
ASSI (
(( segid " " and resid 1230 and name HA ))
)(
(( segid " " and resid 1205 and name HA ))
)
5.000 5.000 0.000 peak 3143 weight 0.10000E+01 volume -0.14900E+01 ppm1 3.720 ppm2 4.802
ASSI (
(( segid " " and resid 1205 and name HA ))
)(
(( segid " " and resid 1205 and name HB1 ))
)
5.000 5.000 0.000 peak 6484 weight 0.10000E+01 volume -0.74100E+00 ppm1 4.797 ppm2 3.209
ASSI (
(( segid " " and resid 1205 and name HB2 ))
)(
(( segid " " and resid 1205 and name HB1 ))
)
5.000 5.000 0.000 peak 8075 weight 0.10000E+01 volume 0.77100E+00 ppm1 2.671 ppm2 3.207
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1205 and name HB1 ))
)
5.000 5.000 0.000 peak 8090 weight 0.10000E+01 volume -0.40800E+00 ppm1 6.649 ppm2 3.204
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1205 and name HB1 ))
)
5.000 5.000 0.000 peak 7382 weight 0.10000E+01 volume -0.40200E+00 ppm1 3.710 ppm2 3.201
ASSI (
(( segid " " and resid 1230 and name HA ))
)(
(( segid " " and resid 1205 and name HB1 ))
)
6.000 6.000 0.000 peak 8102 weight 0.10000E+01 volume -0.20500E+00 ppm1 3.726 ppm2 3.199
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1205 and name HB2 ))
)
5.000 5.000 0.000 peak 8085 weight 0.10000E+01 volume -0.55800E+00 ppm1 6.650 ppm2 2.689
ASSI (
(( segid " " and resid 1230 and name HA ))
)(
(( segid " " and resid 1205 and name HB2 ))
)
6.000 6.000 0.000 peak 6604 weight 0.10000E+01 volume -0.25600E+00 ppm1 3.721 ppm2 2.671
ASSI (
(( segid " " and resid 1178 and name HB1 ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 8429 weight 0.10000E+01 volume 0.25700E+00 ppm1 2.816 ppm2 6.656
ASSI (
(( segid " " and resid 1178 and name HB2 ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 8431 weight 0.10000E+01 volume 0.33300E+00 ppm1 1.197 ppm2 6.659
ASSI (
(( segid " " and resid 1202 and name HB1 ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 8137 weight 0.10000E+01 volume 0.29800E+00 ppm1 1.654 ppm2 6.665
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 7385 weight 0.10000E+01 volume -0.17300E+00 ppm1 3.709 ppm2 6.659
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 7386 weight 0.10000E+01 volume -0.18900E+00 ppm1 2.723 ppm2 6.659
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 6493 weight 0.10000E+01 volume -0.15710E+01 ppm1 4.966 ppm2 6.658
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 7360 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.445 ppm2 6.656
ASSI (
(( segid " " and resid 1230 and name HA ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 3101 weight 0.10000E+01 volume -0.64000E+00 ppm1 3.720 ppm2 6.664
ASSI (
(( segid " " and resid 1230 and name HG2 ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 9279 weight 0.10000E+01 volume 0.38500E+00 ppm1 1.099 ppm2 6.668
ASSI (
(( segid " " and resid 1204 and name HA1 ))
)(
(( segid " " and resid 1205 and name HN ))
)
5.000 5.000 0.000 peak 6734 weight 0.10000E+01 volume -0.10000E+01 ppm1 4.230 ppm2 8.313
ASSI (
(( segid " " and resid 1204 and name HA2 ))
)(
(( segid " " and resid 1205 and name HN ))
)
5.000 5.000 0.000 peak 6733 weight 0.10000E+01 volume -0.82100E+00 ppm1 3.607 ppm2 8.308
ASSI (
(( segid " " and resid 1207 and name HA ))
)(
(( segid " " and resid 1206 and name HA ))
)
6.000 6.000 0.000 peak 6487 weight 0.10000E+01 volume -0.27700E+00 ppm1 4.408 ppm2 4.959
ASSI (
(( segid " " and resid 1206 and name HA ))
)(
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)
2.700 2.700 0.000 peak 6473 weight 0.10000E+01 volume -0.33480E+01 ppm1 4.963 ppm2 1.826
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1206 and name HG1 ))
)
5.000 5.000 0.000 peak 6495 weight 0.10000E+01 volume -0.46500E+00 ppm1 4.965 ppm2 1.618
ASSI (
(( segid " " and resid 1205 and name HB1 ))
)(
(( segid " " and resid 1206 and name HN ))
)
6.000 6.000 0.000 peak 8083 weight 0.10000E+01 volume 0.11100E+00 ppm1 3.202 ppm2 9.351
ASSI (
(( segid " " and resid 1205 and name HB2 ))
)(
(( segid " " and resid 1206 and name HN ))
)
6.000 6.000 0.000 peak 8082 weight 0.10000E+01 volume 0.34600E+00 ppm1 2.666 ppm2 9.350
ASSI (
(( segid " " and resid 1206 and name HA ))
)(
(( segid " " and resid 1206 and name HN ))
)
5.000 5.000 0.000 peak 6468 weight 0.10000E+01 volume -0.44700E+00 ppm1 4.965 ppm2 9.352
ASSI (
(( segid " " and resid 1206 and name HG1 ))
)(
(( segid " " and resid 1206 and name HN ))
)
5.000 5.000 0.000 peak 9341 weight 0.10000E+01 volume 0.42500E+00 ppm1 1.617 ppm2 9.346
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1206 and name HN ))
)
6.000 6.000 0.000 peak 7391 weight 0.10000E+01 volume -0.22100E+00 ppm1 2.731 ppm2 9.345
ASSI (
(( segid " " and resid 1230 and name HA ))
)(
(( segid " " and resid 1206 and name HN ))
)
6.000 6.000 0.000 peak 2462 weight 0.10000E+01 volume -0.29200E+00 ppm1 3.724 ppm2 9.341
ASSI (
(( segid " " and resid 1207 and name HG ))
)(
(( segid " " and resid 1207 and name HA ))
)
5.000 5.000 0.000 peak 8019 weight 0.10000E+01 volume 0.49500E+00 ppm1 1.792 ppm2 4.407
ASSI (
(( segid " " and resid 1228 and name HA ))
)(
(( segid " " and resid 1207 and name HA ))
)
5.000 5.000 0.000 peak 6246 weight 0.10000E+01 volume -0.88100E+00 ppm1 5.533 ppm2 4.411
ASSI (
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)(
(( segid " " and resid 1207 and name HB1 ))
)
3.300 3.300 0.000 peak 8420 weight 0.10000E+01 volume 0.29760E+01 ppm1 0.854 ppm2 1.791
ASSI (
(( segid " " and resid 1206 and name HA ))
)(
(( segid " " and resid 1207 and name HB2 ))
)
5.000 5.000 0.000 peak 6475 weight 0.10000E+01 volume -0.51500E+00 ppm1 4.964 ppm2 1.477
ASSI (
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)(
(( segid " " and resid 1207 and name HB2 ))
)
5.000 5.000 0.000 peak 8423 weight 0.10000E+01 volume 0.11920E+01 ppm1 0.856 ppm2 1.465
ASSI (
(( segid " " and resid 1207 and name HA ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 6729 weight 0.10000E+01 volume -0.53700E+00 ppm1 4.414 ppm2 0.850
ASSI (
(( segid " " and resid 1207 and name HG ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 8022 weight 0.10000E+01 volume 0.13710E+01 ppm1 1.794 ppm2 0.850
ASSI (
(( segid " " and resid 1213 and name HA ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 6688 weight 0.10000E+01 volume -0.68300E+00 ppm1 4.419 ppm2 0.845
ASSI (
(( segid " " and resid 1207 and name HA ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
3.300 3.300 0.000 peak 6728 weight 0.10000E+01 volume -0.20840E+01 ppm1 4.413 ppm2 0.950
ASSI (
(( segid " " and resid 1207 and name HB1 ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 8036 weight 0.10000E+01 volume 0.83600E+00 ppm1 1.791 ppm2 0.966
ASSI (
(( segid " " and resid 1207 and name HB2 ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 8033 weight 0.10000E+01 volume 0.13820E+01 ppm1 1.465 ppm2 0.959
ASSI (
(( segid " " and resid 1207 and name HG ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 8021 weight 0.10000E+01 volume 0.13640E+01 ppm1 1.796 ppm2 0.953
ASSI (
(( segid " " and resid 1213 and name HA ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 6691 weight 0.10000E+01 volume -0.30700E+00 ppm1 4.417 ppm2 0.935
ASSI (
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)(
(( segid " " and resid 1207 and name HN ))
)
5.000 5.000 0.000 peak 8070 weight 0.10000E+01 volume 0.12040E+01 ppm1 1.829 ppm2 8.767
ASSI (
(( segid " " and resid 1207 and name HA ))
)(
(( segid " " and resid 1207 and name HN ))
)
5.000 5.000 0.000 peak 6725 weight 0.10000E+01 volume -0.80000E+00 ppm1 4.414 ppm2 8.765
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1207 and name HN ))
)
5.000 5.000 0.000 peak 7422 weight 0.10000E+01 volume 0.50300E+00 ppm1 0.947 ppm2 8.761
ASSI (
(( segid " " and resid 1207 and name HG ))
)(
(( segid " " and resid 1207 and name HN ))
)
6.000 6.000 0.000 peak 8020 weight 0.10000E+01 volume 0.32000E+00 ppm1 1.794 ppm2 8.765
ASSI (
(( segid " " and resid 1208 and name HB1 ))
)(
(( segid " " and resid 1208 and name HA ))
)
3.300 3.300 0.000 peak 8014 weight 0.10000E+01 volume -0.27840E+01 ppm1 3.921 ppm2 4.487
ASSI (
(( segid " " and resid 1208 and name HB2 ))
)(
(( segid " " and resid 1208 and name HA ))
)
3.300 3.300 0.000 peak 6815 weight 0.10000E+01 volume -0.23950E+01 ppm1 3.675 ppm2 4.477
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1208 and name HB1 ))
)
5.000 5.000 0.000 peak 7363 weight 0.10000E+01 volume 0.50100E+00 ppm1 1.444 ppm2 3.923
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1208 and name HB2 ))
)
5.000 5.000 0.000 peak 7364 weight 0.10000E+01 volume 0.10560E+01 ppm1 1.444 ppm2 3.690
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1208 and name HN ))
)
5.000 5.000 0.000 peak 7421 weight 0.10000E+01 volume 0.72800E+00 ppm1 0.949 ppm2 8.915
ASSI (
(( segid " " and resid 1209 and name HB2 ))
)(
(( segid " " and resid 1209 and name HA ))
)
2.700 2.700 0.000 peak 6848 weight 0.10000E+01 volume -0.33290E+01 ppm1 3.936 ppm2 4.274
ASSI (
(( segid " " and resid 1208 and name HA ))
)(
(( segid " " and resid 1209 and name HN ))
)
5.000 5.000 0.000 peak 6982 weight 0.10000E+01 volume -0.11120E+01 ppm1 4.473 ppm2 8.402
ASSI (
(( segid " " and resid 1209 and name HA ))
)(
(( segid " " and resid 1209 and name HN ))
)
5.000 5.000 0.000 peak 6717 weight 0.10000E+01 volume -0.79600E+00 ppm1 4.273 ppm2 8.403
ASSI (
(( segid " " and resid 1209 and name HB1 ))
)(
(( segid " " and resid 1209 and name HN ))
)
5.000 5.000 0.000 peak 6842 weight 0.10000E+01 volume -0.61400E+00 ppm1 3.987 ppm2 8.404
ASSI (
(( segid " " and resid 1209 and name HB2 ))
)(
(( segid " " and resid 1209 and name HN ))
)
5.000 5.000 0.000 peak 6843 weight 0.10000E+01 volume -0.62500E+00 ppm1 3.941 ppm2 8.399
ASSI (
(( segid " " and resid 1210 and name HB2 ))
)(
(( segid " " and resid 1210 and name HA ))
)
5.000 5.000 0.000 peak 7989 weight 0.10000E+01 volume 0.71500E+00 ppm1 1.705 ppm2 4.282
ASSI (
(( segid " " and resid 1210 and name HB1 ))
)(
(( segid " " and resid 1210 and name HD2 ))
OR
(( segid " " and resid 1210 and name HD1 ))
)
5.000 5.000 0.000 peak 7994 weight 0.10000E+01 volume 0.73500E+00 ppm1 1.931 ppm2 3.164
ASSI (
(( segid " " and resid 1210 and name HB2 ))
)(
(( segid " " and resid 1210 and name HD2 ))
OR
(( segid " " and resid 1210 and name HD1 ))
)
5.000 5.000 0.000 peak 7995 weight 0.10000E+01 volume 0.62900E+00 ppm1 1.705 ppm2 3.165
ASSI (
(( segid " " and resid 1209 and name HA ))
)(
(( segid " " and resid 1210 and name HN ))
)
5.000 5.000 0.000 peak 6718 weight 0.10000E+01 volume -0.13610E+01 ppm1 4.274 ppm2 8.075
ASSI (
(( segid " " and resid 1209 and name HB1 ))
)(
(( segid " " and resid 1210 and name HN ))
)
5.000 5.000 0.000 peak 6845 weight 0.10000E+01 volume -0.50600E+00 ppm1 3.982 ppm2 8.076
ASSI (
(( segid " " and resid 1209 and name HB2 ))
)(
(( segid " " and resid 1210 and name HN ))
)
5.000 5.000 0.000 peak 6844 weight 0.10000E+01 volume -0.53800E+00 ppm1 3.945 ppm2 8.078
ASSI (
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)(
(( segid " " and resid 1213 and name HA ))
)
3.300 3.300 0.000 peak 6682 weight 0.10000E+01 volume 0.27660E+01 ppm1 1.235 ppm2 4.411
ASSI (
(( segid " " and resid 1213 and name HB ))
)(
(( segid " " and resid 1213 and name HN ))
)
6.000 6.000 0.000 peak 7935 weight 0.10000E+01 volume -0.31700E+00 ppm1 4.482 ppm2 7.839
ASSI (
(( segid " " and resid 1200 and name HA ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
5.000 5.000 0.000 peak 3130 weight 0.10000E+01 volume -0.14140E+01 ppm1 4.587 ppm2 1.086
ASSI (
(( segid " " and resid 1214 and name HB1 ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
5.000 5.000 0.000 peak 7897 weight 0.10000E+01 volume 0.97600E+00 ppm1 2.249 ppm2 1.089
ASSI (
(( segid " " and resid 1214 and name HB2 ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
5.000 5.000 0.000 peak 7902 weight 0.10000E+01 volume 0.94400E+00 ppm1 1.666 ppm2 1.092
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
6.000 6.000 0.000 peak 9574 weight 0.10000E+01 volume -0.14900E+00 ppm1 7.161 ppm2 0.679
ASSI (
(( segid " " and resid 1214 and name HB1 ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 7898 weight 0.10000E+01 volume 0.57200E+00 ppm1 2.250 ppm2 0.687
ASSI (
(( segid " " and resid 1214 and name HB2 ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 7903 weight 0.10000E+01 volume 0.56900E+00 ppm1 1.669 ppm2 0.675
ASSI (
(( segid " " and resid 1226 and name HB1 ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 7417 weight 0.10000E+01 volume 0.51100E+00 ppm1 2.261 ppm2 0.691
ASSI (
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)(
(( segid " " and resid 1214 and name HN ))
)
5.000 5.000 0.000 peak 6685 weight 0.10000E+01 volume 0.70100E+00 ppm1 1.237 ppm2 8.372
ASSI (
(( segid " " and resid 1215 and name HB1 ))
)(
(( segid " " and resid 1215 and name HA ))
)
5.000 5.000 0.000 peak 6303 weight 0.10000E+01 volume 0.63400E+00 ppm1 1.769 ppm2 5.274
ASSI (
(( segid " " and resid 1215 and name HB2 ))
)(
(( segid " " and resid 1215 and name HA ))
)
5.000 5.000 0.000 peak 6304 weight 0.10000E+01 volume 0.58500E+00 ppm1 1.662 ppm2 5.277
ASSI (
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)(
(( segid " " and resid 1215 and name HA ))
)
5.000 5.000 0.000 peak 6305 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.452 ppm2 5.283
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1215 and name HA ))
)
6.000 6.000 0.000 peak 6306 weight 0.10000E+01 volume 0.36400E+00 ppm1 1.141 ppm2 5.281
ASSI (
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)(
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
)
5.000 5.000 0.000 peak 7981 weight 0.10000E+01 volume -0.68600E+00 ppm1 3.654 ppm2 3.172
ASSI (
(( segid " " and resid 1215 and name HB1 ))
)(
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
)
5.000 5.000 0.000 peak 7887 weight 0.10000E+01 volume 0.12090E+01 ppm1 1.766 ppm2 3.169
ASSI (
(( segid " " and resid 1215 and name HB2 ))
)(
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
)
5.000 5.000 0.000 peak 7888 weight 0.10000E+01 volume 0.12250E+01 ppm1 1.666 ppm2 3.167
ASSI (
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)(
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)
3.300 3.300 0.000 peak 7938 weight 0.10000E+01 volume -0.17670E+01 ppm1 3.652 ppm2 1.453
ASSI (
(( segid " " and resid 1213 and name HB ))
)(
(( segid " " and resid 1215 and name HN ))
)
5.000 5.000 0.000 peak 7934 weight 0.10000E+01 volume -0.69700E+00 ppm1 4.482 ppm2 7.718
ASSI (
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)(
(( segid " " and resid 1215 and name HN ))
)
5.000 5.000 0.000 peak 6687 weight 0.10000E+01 volume 0.73400E+00 ppm1 1.237 ppm2 7.711
ASSI (
(( segid " " and resid 1215 and name HB2 ))
)(
(( segid " " and resid 1215 and name HN ))
)
5.000 5.000 0.000 peak 7886 weight 0.10000E+01 volume 0.67200E+00 ppm1 1.664 ppm2 7.715
ASSI (
(( segid " " and resid 1216 and name HB ))
)(
(( segid " " and resid 1216 and name HA ))
)
3.300 3.300 0.000 peak 6509 weight 0.10000E+01 volume -0.20100E+01 ppm1 4.066 ppm2 4.877
ASSI (
(( segid " " and resid 1217 and name HB ))
)(
(( segid " " and resid 1216 and name HA ))
)
5.000 5.000 0.000 peak 6500 weight 0.10000E+01 volume -0.78200E+00 ppm1 3.883 ppm2 4.873
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1216 and name HB ))
)
3.300 3.300 0.000 peak 7872 weight 0.10000E+01 volume 0.19880E+01 ppm1 1.138 ppm2 4.067
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
6.000 6.000 0.000 peak 7782 weight 0.10000E+01 volume 0.39200E+00 ppm1 0.144 ppm2 1.148
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
5.000 5.000 0.000 peak 7287 weight 0.10000E+01 volume -0.41300E+00 ppm1 2.855 ppm2 1.145
ASSI (
(( segid " " and resid 1198 and name HA ))
)(
(( segid " " and resid 1216 and name HN ))
)
6.000 6.000 0.000 peak 6538 weight 0.10000E+01 volume -0.33200E+00 ppm1 4.791 ppm2 8.733
ASSI (
(( segid " " and resid 1216 and name HA ))
)(
(( segid " " and resid 1216 and name HN ))
)
5.000 5.000 0.000 peak 6501 weight 0.10000E+01 volume -0.66000E+00 ppm1 4.873 ppm2 8.759
ASSI (
(( segid " " and resid 1216 and name HB ))
)(
(( segid " " and resid 1216 and name HN ))
)
6.000 6.000 0.000 peak 7864 weight 0.10000E+01 volume -0.27600E+00 ppm1 4.064 ppm2 8.763
ASSI (
(( segid " " and resid 1217 and name HB ))
)(
(( segid " " and resid 1217 and name HA ))
)
5.000 5.000 0.000 peak 6532 weight 0.10000E+01 volume -0.10080E+01 ppm1 3.888 ppm2 4.806
ASSI (
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
5.000 5.000 0.000 peak 7978 weight 0.10000E+01 volume -0.41100E+00 ppm1 3.653 ppm2 1.056
ASSI (
(( segid " " and resid 1217 and name HA ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
3.300 3.300 0.000 peak 6529 weight 0.10000E+01 volume -0.16020E+01 ppm1 4.806 ppm2 1.054
ASSI (
(( segid " " and resid 1196 and name HA ))
)(
(( segid " " and resid 1217 and name HN ))
)
5.000 5.000 0.000 peak 6333 weight 0.10000E+01 volume -0.53200E+00 ppm1 5.148 ppm2 8.287
ASSI (
(( segid " " and resid 1216 and name HA ))
)(
(( segid " " and resid 1217 and name HN ))
)
2.700 2.700 0.000 peak 6503 weight 0.10000E+01 volume -0.33600E+01 ppm1 4.872 ppm2 8.249
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1218 and name HA ))
)
3.300 3.300 0.000 peak 7832 weight 0.10000E+01 volume 0.17290E+01 ppm1 0.528 ppm2 4.630
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1218 and name HB1 ))
)
6.000 6.000 0.000 peak 9306 weight 0.10000E+01 volume 0.35300E+00 ppm1 0.416 ppm2 3.081
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 7830 weight 0.10000E+01 volume 0.41600E+00 ppm1 0.529 ppm2 3.082
ASSI (
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)(
(( segid " " and resid 1218 and name HB1 ))
)
6.000 6.000 0.000 peak 7852 weight 0.10000E+01 volume 0.24600E+00 ppm1 0.411 ppm2 3.092
ASSI (
(( segid " " and resid 1217 and name HA ))
)(
(( segid " " and resid 1218 and name HN ))
)
3.300 3.300 0.000 peak 6528 weight 0.10000E+01 volume -0.20410E+01 ppm1 4.807 ppm2 8.291
ASSI (
(( segid " " and resid 1219 and name HD1 ))
)(
(( segid " " and resid 1219 and name HB1 ))
)
5.000 5.000 0.000 peak 7608 weight 0.10000E+01 volume -0.53400E+00 ppm1 7.160 ppm2 3.375
ASSI (
(( segid " " and resid 1219 and name HD1 ))
)(
(( segid " " and resid 1219 and name HB2 ))
)
5.000 5.000 0.000 peak 7611 weight 0.10000E+01 volume -0.72800E+00 ppm1 7.158 ppm2 3.078
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1219 and name HE3 ))
)
5.000 5.000 0.000 peak 7630 weight 0.10000E+01 volume 0.52200E+00 ppm1 0.412 ppm2 7.595
ASSI (
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
)(
(( segid " " and resid 1219 and name HN ))
)
6.000 6.000 0.000 peak 7552 weight 0.10000E+01 volume 0.26200E+00 ppm1 1.951 ppm2 8.949
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1220 and name HN ))
)
5.000 5.000 0.000 peak 9303 weight 0.10000E+01 volume 0.78700E+00 ppm1 0.414 ppm2 8.922
ASSI (
(( segid " " and resid 1221 and name HA2 ))
)(
(( segid " " and resid 1221 and name HA1 ))
)
3.300 3.300 0.000 peak 6672 weight 0.10000E+01 volume -0.20550E+01 ppm1 3.737 ppm2 4.059
ASSI (
(( segid " " and resid 1220 and name HA ))
)(
(( segid " " and resid 1221 and name HN ))
)
5.000 5.000 0.000 peak 6676 weight 0.10000E+01 volume -0.68000E+00 ppm1 4.489 ppm2 6.373
ASSI (
(( segid " " and resid 1222 and name HB1 ))
)(
(( segid " " and resid 1222 and name HA ))
)
3.300 3.300 0.000 peak 7557 weight 0.10000E+01 volume 0.19100E+01 ppm1 1.961 ppm2 4.485
ASSI (
(( segid " " and resid 1222 and name HB2 ))
)(
(( segid " " and resid 1222 and name HA ))
)
3.300 3.300 0.000 peak 6665 weight 0.10000E+01 volume 0.25080E+01 ppm1 1.930 ppm2 4.486
ASSI (
(( segid " " and resid 1222 and name HA ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
)
3.300 3.300 0.000 peak 2654 weight 0.10000E+01 volume -0.28190E+01 ppm1 4.488 ppm2 1.942
ASSI (
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
)(
(( segid " " and resid 1222 and name HE2 ))
OR
(( segid " " and resid 1222 and name HE1 ))
)
3.300 3.300 0.000 peak 9550 weight 0.10000E+01 volume 0.25370E+01 ppm1 1.750 ppm2 3.049
ASSI (
(( segid " " and resid 1222 and name HA ))
)(
(( segid " " and resid 1222 and name HN ))
)
5.000 5.000 0.000 peak 6664 weight 0.10000E+01 volume -0.79600E+00 ppm1 4.490 ppm2 7.790
ASSI (
(( segid " " and resid 1222 and name HB1 ))
)(
(( segid " " and resid 1222 and name HN ))
)
3.300 3.300 0.000 peak 7556 weight 0.10000E+01 volume 0.18840E+01 ppm1 1.967 ppm2 7.789
ASSI (
(( segid " " and resid 1222 and name HB2 ))
)(
(( segid " " and resid 1222 and name HN ))
)
3.300 3.300 0.000 peak 7555 weight 0.10000E+01 volume 0.21000E+01 ppm1 1.933 ppm2 7.789
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1223 and name HA ))
)
5.000 5.000 0.000 peak 7873 weight 0.10000E+01 volume 0.59100E+00 ppm1 1.137 ppm2 4.477
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1223 and name HA ))
)
3.300 3.300 0.000 peak 7834 weight 0.10000E+01 volume 0.16410E+01 ppm1 0.529 ppm2 4.475
ASSI (
(( segid " " and resid 1167 and name HB1 ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 8633 weight 0.10000E+01 volume 0.33700E+00 ppm1 2.784 ppm2 0.531
ASSI (
(( segid " " and resid 1167 and name HB2 ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 8634 weight 0.10000E+01 volume 0.35600E+00 ppm1 2.704 ppm2 0.544
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
5.000 5.000 0.000 peak 8601 weight 0.10000E+01 volume 0.11380E+01 ppm1 1.030 ppm2 0.512
ASSI (
(( segid " " and resid 1216 and name HB ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 7946 weight 0.10000E+01 volume -0.20600E+00 ppm1 4.069 ppm2 0.531
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
5.000 5.000 0.000 peak 7879 weight 0.10000E+01 volume 0.14860E+01 ppm1 1.135 ppm2 0.534
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 7859 weight 0.10000E+01 volume 0.12200E+00 ppm1 1.046 ppm2 0.519
ASSI (
(( segid " " and resid 1218 and name HB2 ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 7826 weight 0.10000E+01 volume 0.34900E+00 ppm1 2.830 ppm2 0.534
ASSI (
(( segid " " and resid 1167 and name HB1 ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
6.000 6.000 0.000 peak 8626 weight 0.10000E+01 volume 0.22300E+00 ppm1 2.791 ppm2 0.414
ASSI (
(( segid " " and resid 1169 and name HA ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
6.000 6.000 0.000 peak 6933 weight 0.10000E+01 volume -0.22900E+00 ppm1 4.163 ppm2 0.409
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
5.000 5.000 0.000 peak 8602 weight 0.10000E+01 volume 0.77200E+00 ppm1 1.029 ppm2 0.428
ASSI (
(( segid " " and resid 1197 and name HB ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
5.000 5.000 0.000 peak 8217 weight 0.10000E+01 volume 0.41400E+00 ppm1 1.543 ppm2 0.425
ASSI (
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
6.000 6.000 0.000 peak 9597 weight 0.10000E+01 volume -0.13900E+00 ppm1 7.146 ppm2 0.418
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
5.000 5.000 0.000 peak 7878 weight 0.10000E+01 volume 0.13570E+01 ppm1 1.135 ppm2 0.410
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
6.000 6.000 0.000 peak 7841 weight 0.10000E+01 volume 0.26500E+00 ppm1 1.048 ppm2 0.401
ASSI (
(( segid " " and resid 1218 and name HB2 ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
6.000 6.000 0.000 peak 7827 weight 0.10000E+01 volume 0.18600E+00 ppm1 2.834 ppm2 0.415
ASSI (
(( segid " " and resid 1222 and name HA ))
)(
(( segid " " and resid 1223 and name HN ))
)
2.700 2.700 0.000 peak 6663 weight 0.10000E+01 volume -0.37310E+01 ppm1 4.489 ppm2 8.147
ASSI (
(( segid " " and resid 1222 and name HB1 ))
)(
(( segid " " and resid 1223 and name HN ))
)
5.000 5.000 0.000 peak 7553 weight 0.10000E+01 volume 0.91300E+00 ppm1 1.964 ppm2 8.145
ASSI (
(( segid " " and resid 1222 and name HB2 ))
)(
(( segid " " and resid 1223 and name HN ))
)
5.000 5.000 0.000 peak 7554 weight 0.10000E+01 volume 0.97200E+00 ppm1 1.933 ppm2 8.145
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1223 and name HN ))
)
5.000 5.000 0.000 peak 6657 weight 0.10000E+01 volume -0.40100E+00 ppm1 4.480 ppm2 8.141
ASSI (
(( segid " " and resid 1223 and name HB1 ))
)(
(( segid " " and resid 1223 and name HN ))
)
5.000 5.000 0.000 peak 7532 weight 0.10000E+01 volume -0.64400E+00 ppm1 1.223 ppm2 8.149
ASSI (
(( segid " " and resid 1223 and name HB2 ))
)(
(( segid " " and resid 1223 and name HN ))
)
5.000 5.000 0.000 peak 7535 weight 0.10000E+01 volume -0.56900E+00 ppm1 1.134 ppm2 8.151
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1223 and name HN ))
)
6.000 6.000 0.000 peak 7839 weight 0.10000E+01 volume 0.30100E+00 ppm1 0.527 ppm2 8.140
ASSI (
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
)(
(( segid " " and resid 1224 and name HA ))
)
3.300 3.300 0.000 peak 6655 weight 0.10000E+01 volume 0.23350E+01 ppm1 1.686 ppm2 4.443
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1224 and name HA ))
)
6.000 6.000 0.000 peak 7715 weight 0.10000E+01 volume -0.20500E+00 ppm1 6.788 ppm2 4.455
ASSI (
(( segid " " and resid 1213 and name HA ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
)
5.000 5.000 0.000 peak 6689 weight 0.10000E+01 volume -0.47200E+00 ppm1 4.417 ppm2 1.686
ASSI (
(( segid " " and resid 1224 and name HG1 ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
)
2.700 2.700 0.000 peak 7515 weight 0.10000E+01 volume 0.37860E+01 ppm1 2.202 ppm2 1.690
ASSI (
(( segid " " and resid 1224 and name HG2 ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
)
2.700 2.700 0.000 peak 7516 weight 0.10000E+01 volume 0.42220E+01 ppm1 2.052 ppm2 1.688
ASSI (
(( segid " " and resid 1223 and name HA ))
)(
(( segid " " and resid 1224 and name HN ))
)
3.300 3.300 0.000 peak 6656 weight 0.10000E+01 volume -0.22400E+01 ppm1 4.479 ppm2 8.289
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1224 and name HN ))
)
5.000 5.000 0.000 peak 7838 weight 0.10000E+01 volume 0.12870E+01 ppm1 0.529 ppm2 8.293
ASSI (
(( segid " " and resid 1224 and name HA ))
)(
(( segid " " and resid 1224 and name HN ))
)
5.000 5.000 0.000 peak 6650 weight 0.10000E+01 volume -0.14560E+01 ppm1 4.440 ppm2 8.280
ASSI (
(( segid " " and resid 1225 and name HB1 ))
)(
(( segid " " and resid 1225 and name HA ))
)
6.000 6.000 0.000 peak 7486 weight 0.10000E+01 volume 0.34400E+00 ppm1 2.532 ppm2 4.160
ASSI (
(( segid " " and resid 1226 and name HD1 ))
)(
(( segid " " and resid 1225 and name HA ))
)
5.000 5.000 0.000 peak 6646 weight 0.10000E+01 volume -0.12480E+01 ppm1 3.465 ppm2 4.160
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1225 and name HA ))
)
5.000 5.000 0.000 peak 6647 weight 0.10000E+01 volume -0.11660E+01 ppm1 2.851 ppm2 4.161
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
)
5.000 5.000 0.000 peak 7439 weight 0.10000E+01 volume 0.55200E+00 ppm1 0.372 ppm2 2.529
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1225 and name HB1 ))
)
5.000 5.000 0.000 peak 7499 weight 0.10000E+01 volume -0.57800E+00 ppm1 6.787 ppm2 2.548
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1225 and name HB2 ))
)
5.000 5.000 0.000 peak 7500 weight 0.10000E+01 volume -0.59300E+00 ppm1 6.788 ppm2 2.498
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
3.300 3.300 0.000 peak 7444 weight 0.10000E+01 volume 0.16020E+01 ppm1 0.370 ppm2 6.790
ASSI (
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
6.000 6.000 0.000 peak 8194 weight 0.10000E+01 volume -0.22700E+00 ppm1 7.152 ppm2 6.787
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
5.000 5.000 0.000 peak 7719 weight 0.10000E+01 volume -0.72000E+00 ppm1 7.168 ppm2 6.811
ASSI (
(( segid " " and resid 1226 and name HD2 ))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
6.000 6.000 0.000 peak 7292 weight 0.10000E+01 volume -0.23100E+00 ppm1 2.851 ppm2 6.783
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)
5.000 5.000 0.000 peak 7739 weight 0.10000E+01 volume 0.96800E+00 ppm1 -0.388 ppm2 6.738
ASSI (
(( segid " " and resid 1224 and name HA ))
)(
(( segid " " and resid 1225 and name HN ))
)
2.700 2.700 0.000 peak 6649 weight 0.10000E+01 volume -0.40390E+01 ppm1 4.440 ppm2 8.223
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1225 and name HN ))
)
5.000 5.000 0.000 peak 7718 weight 0.10000E+01 volume -0.53500E+00 ppm1 6.788 ppm2 8.217
ASSI (
(( segid " " and resid 1212 and name HB2 ))
)(
(( segid " " and resid 1226 and name HA ))
)
6.000 6.000 0.000 peak 6624 weight 0.10000E+01 volume 0.17500E+00 ppm1 3.076 ppm2 4.489
ASSI (
(( segid " " and resid 1226 and name HB1 ))
)(
(( segid " " and resid 1226 and name HA ))
)
5.000 5.000 0.000 peak 6628 weight 0.10000E+01 volume 0.47100E+00 ppm1 2.257 ppm2 4.490
ASSI (
(( segid " " and resid 1226 and name HB2 ))
)(
(( segid " " and resid 1226 and name HA ))
)
5.000 5.000 0.000 peak 6630 weight 0.10000E+01 volume 0.43600E+00 ppm1 1.629 ppm2 4.491
ASSI (
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)(
(( segid " " and resid 1226 and name HB1 ))
)
5.000 5.000 0.000 peak 7412 weight 0.10000E+01 volume 0.77800E+00 ppm1 0.948 ppm2 2.253
ASSI (
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)(
(( segid " " and resid 1226 and name HD1 ))
)
6.000 6.000 0.000 peak 7875 weight 0.10000E+01 volume 0.33300E+00 ppm1 1.135 ppm2 3.478
ASSI (
(( segid " " and resid 1226 and name HD1 ))
)(
(( segid " " and resid 1226 and name HD2 ))
)
3.300 3.300 0.000 peak 7297 weight 0.10000E+01 volume -0.16330E+01 ppm1 3.462 ppm2 2.859
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1226 and name HG1 ))
)
6.000 6.000 0.000 peak 8587 weight 0.10000E+01 volume 0.21000E+00 ppm1 0.703 ppm2 2.078
ASSI (
(( segid " " and resid 1177 and name HB1 ))
)(
(( segid " " and resid 1227 and name HA ))
)
6.000 6.000 0.000 peak 8462 weight 0.10000E+01 volume 0.37800E+00 ppm1 3.712 ppm2 4.550
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1227 and name HA ))
)
6.000 6.000 0.000 peak 6367 weight 0.10000E+01 volume 0.29400E+00 ppm1 0.741 ppm2 4.546
ASSI (
(( segid " " and resid 1227 and name HB ))
)(
(( segid " " and resid 1227 and name HA ))
)
5.000 5.000 0.000 peak 7404 weight 0.10000E+01 volume -0.12460E+01 ppm1 3.692 ppm2 4.531
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
)
6.000 6.000 0.000 peak 7712 weight 0.10000E+01 volume -0.18200E+00 ppm1 6.784 ppm2 0.651
ASSI (
(( segid " " and resid 1226 and name HA ))
)(
(( segid " " and resid 1227 and name HN ))
)
3.300 3.300 0.000 peak 2563 weight 0.10000E+01 volume -0.16160E+01 ppm1 4.491 ppm2 7.944
ASSI (
(( segid " " and resid 1227 and name HB ))
)(
(( segid " " and resid 1227 and name HN ))
)
5.000 5.000 0.000 peak 7405 weight 0.10000E+01 volume -0.75300E+00 ppm1 3.694 ppm2 7.945
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1228 and name HA ))
)
5.000 5.000 0.000 peak 6249 weight 0.10000E+01 volume -0.54900E+00 ppm1 3.713 ppm2 5.532
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1228 and name HA ))
)
5.000 5.000 0.000 peak 6252 weight 0.10000E+01 volume -0.44900E+00 ppm1 2.721 ppm2 5.538
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1228 and name HA ))
)
6.000 6.000 0.000 peak 6254 weight 0.10000E+01 volume 0.22000E+00 ppm1 1.445 ppm2 5.527
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1228 and name HB1 ))
)
5.000 5.000 0.000 peak 6368 weight 0.10000E+01 volume 0.46800E+00 ppm1 0.743 ppm2 3.712
ASSI (
(( segid " " and resid 1227 and name HB ))
)(
(( segid " " and resid 1228 and name HN ))
)
5.000 5.000 0.000 peak 7406 weight 0.10000E+01 volume -0.85000E+00 ppm1 3.693 ppm2 8.369
ASSI (
(( segid " " and resid 1228 and name HA ))
)(
(( segid " " and resid 1228 and name HN ))
)
6.000 6.000 0.000 peak 6245 weight 0.10000E+01 volume -0.23100E+00 ppm1 5.529 ppm2 8.369
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1229 and name HA ))
)
5.000 5.000 0.000 peak 6499 weight 0.10000E+01 volume -0.56100E+00 ppm1 6.651 ppm2 4.967
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1229 and name HA ))
)
6.000 6.000 0.000 peak 6591 weight 0.10000E+01 volume 0.24000E+00 ppm1 1.444 ppm2 4.967
ASSI (
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)
5.000 5.000 0.000 peak 7372 weight 0.10000E+01 volume -0.47100E+00 ppm1 6.653 ppm2 1.430
ASSI (
(( segid " " and resid 1208 and name HA ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)
5.000 5.000 0.000 peak 2864 weight 0.10000E+01 volume -0.50000E+00 ppm1 4.474 ppm2 1.440
ASSI (
(( segid " " and resid 1208 and name HB1 ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)
5.000 5.000 0.000 peak 7373 weight 0.10000E+01 volume -0.10660E+01 ppm1 3.922 ppm2 1.443
ASSI (
(( segid " " and resid 1208 and name HB2 ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)
5.000 5.000 0.000 peak 7374 weight 0.10000E+01 volume -0.12330E+01 ppm1 3.678 ppm2 1.445
ASSI (
(( segid " " and resid 1205 and name HB2 ))
)(
(( segid " " and resid 1229 and name HN ))
)
6.000 6.000 0.000 peak 8084 weight 0.10000E+01 volume 0.24300E+00 ppm1 2.679 ppm2 9.842
ASSI (
(( segid " " and resid 1208 and name HB1 ))
)(
(( segid " " and resid 1229 and name HN ))
)
6.000 6.000 0.000 peak 8018 weight 0.10000E+01 volume -0.27600E+00 ppm1 3.911 ppm2 9.824
ASSI (
(( segid " " and resid 1208 and name HB2 ))
)(
(( segid " " and resid 1229 and name HN ))
)
6.000 6.000 0.000 peak 8017 weight 0.10000E+01 volume -0.28200E+00 ppm1 3.674 ppm2 9.821
ASSI (
(( segid " " and resid 1228 and name HB1 ))
)(
(( segid " " and resid 1229 and name HN ))
)
6.000 6.000 0.000 peak 7389 weight 0.10000E+01 volume -0.34400E+00 ppm1 3.715 ppm2 9.824
ASSI (
(( segid " " and resid 1228 and name HB2 ))
)(
(( segid " " and resid 1229 and name HN ))
)
6.000 6.000 0.000 peak 7390 weight 0.10000E+01 volume -0.34400E+00 ppm1 2.717 ppm2 9.822
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1229 and name HN ))
)
5.000 5.000 0.000 peak 6489 weight 0.10000E+01 volume -0.61700E+00 ppm1 4.966 ppm2 9.824
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1230 and name HA ))
)
5.000 5.000 0.000 peak 6494 weight 0.10000E+01 volume -0.51300E+00 ppm1 4.965 ppm2 3.714
ASSI (
(( segid " " and resid 1230 and name HB1 ))
)(
(( segid " " and resid 1230 and name HA ))
)
5.000 5.000 0.000 peak 6605 weight 0.10000E+01 volume 0.78700E+00 ppm1 1.631 ppm2 3.726
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1230 and name HA ))
)
5.000 5.000 0.000 peak 6606 weight 0.10000E+01 volume 0.85600E+00 ppm1 1.447 ppm2 3.725
ASSI (
(( segid " " and resid 1230 and name HD2 ))
OR
(( segid " " and resid 1230 and name HD1 ))
)(
(( segid " " and resid 1230 and name HA ))
)
6.000 6.000 0.000 peak 6607 weight 0.10000E+01 volume 0.35900E+00 ppm1 1.400 ppm2 3.723
ASSI (
(( segid " " and resid 1230 and name HG2 ))
)(
(( segid " " and resid 1230 and name HA ))
)
5.000 5.000 0.000 peak 6609 weight 0.10000E+01 volume 0.58100E+00 ppm1 1.101 ppm2 3.722
ASSI (
(( segid " " and resid 1230 and name HD2 ))
OR
(( segid " " and resid 1230 and name HD1 ))
)(
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
)
5.000 5.000 0.000 peak 9536 weight 0.10000E+01 volume 0.94100E+00 ppm1 1.398 ppm2 2.803
ASSI (
(( segid " " and resid 1230 and name HG2 ))
)(
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
)
5.000 5.000 0.000 peak 9277 weight 0.10000E+01 volume 0.80900E+00 ppm1 1.101 ppm2 2.813
ASSI (
(( segid " " and resid 1230 and name HD2 ))
OR
(( segid " " and resid 1230 and name HD1 ))
)(
(( segid " " and resid 1230 and name HG1 ))
)
2.700 2.700 0.000 peak 7341 weight 0.10000E+01 volume 0.33120E+01 ppm1 1.398 ppm2 1.216
ASSI (
(( segid " " and resid 1230 and name HD2 ))
OR
(( segid " " and resid 1230 and name HD1 ))
)(
(( segid " " and resid 1230 and name HG2 ))
)
5.000 5.000 0.000 peak 9506 weight 0.10000E+01 volume 0.10600E+01 ppm1 1.396 ppm2 1.104
ASSI (
(( segid " " and resid 1229 and name HA ))
)(
(( segid " " and resid 1230 and name HN ))
)
2.700 2.700 0.000 peak 6490 weight 0.10000E+01 volume -0.41480E+01 ppm1 4.965 ppm2 8.789
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1230 and name HN ))
)
3.300 3.300 0.000 peak 7358 weight 0.10000E+01 volume 0.19870E+01 ppm1 1.444 ppm2 8.788
ASSI (
(( segid " " and resid 1230 and name HB1 ))
)(
(( segid " " and resid 1230 and name HN ))
)
5.000 5.000 0.000 peak 7344 weight 0.10000E+01 volume 0.11120E+01 ppm1 1.631 ppm2 8.788
ASSI (
(( segid " " and resid 1230 and name HB2 ))
)(
(( segid " " and resid 1230 and name HN ))
)
5.000 5.000 0.000 peak 7345 weight 0.10000E+01 volume 0.13280E+01 ppm1 1.444 ppm2 8.790
ASSI (
(( segid " " and resid 1231 and name HB1 ))
)(
(( segid " " and resid 1231 and name HA ))
)
5.000 5.000 0.000 peak 6599 weight 0.10000E+01 volume 0.11690E+01 ppm1 1.714 ppm2 4.015
ASSI (
(( segid " " and resid 1231 and name HG2 ))
OR
(( segid " " and resid 1231 and name HG1 ))
)(
(( segid " " and resid 1231 and name HA ))
)
5.000 5.000 0.000 peak 7326 weight 0.10000E+01 volume 0.60100E+00 ppm1 1.466 ppm2 4.016
ASSI (
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)(
(( segid " " and resid 1231 and name HN ))
)
6.000 6.000 0.000 peak 7359 weight 0.10000E+01 volume 0.25800E+00 ppm1 1.444 ppm2 7.766
ASSI (
(( segid " " and resid 1230 and name HA ))
)(
(( segid " " and resid 1231 and name HN ))
)
2.700 2.700 0.000 peak 2939 weight 0.10000E+01 volume -0.37790E+01 ppm1 3.721 ppm2 7.763
ASSI (
(( segid " " and resid 1231 and name HG2 ))
OR
(( segid " " and resid 1231 and name HG1 ))
)(
(( segid " " and resid 1231 and name HN ))
)
5.000 5.000 0.000 peak 9272 weight 0.10000E+01 volume 0.81800E+00 ppm1 1.467 ppm2 7.753
ASSI (
(( segid " " and resid 1118 and name HA1 ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
6.000 6.000 0.000 peak 7108 weight 0.10000E+01 volume -0.15700E+00 ppm1 4.531 ppm2 0.204
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1118 and name HA2 ))
)
6.000 6.000 0.000 peak 9681 weight 0.10000E+01 volume 0.33800E+00 ppm1 0.195 ppm2 3.836
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 6410 weight 0.10000E+01 volume 0.97900E+00 ppm1 0.107 ppm2 0.760
ASSI (
(( segid " " and resid 1120 and name HA ))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 6578 weight 0.10000E+01 volume -0.14050E+01 ppm1 4.738 ppm2 0.100
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
2.700 2.700 0.000 peak 7085 weight 0.10000E+01 volume 0.44180E+01 ppm1 0.500 ppm2 0.104
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 6440 weight 0.10000E+01 volume -0.52200E+00 ppm1 4.993 ppm2 0.107
ASSI (
(( segid " " and resid 1121 and name HB ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
2.700 2.700 0.000 peak 7100 weight 0.10000E+01 volume -0.34180E+01 ppm1 4.430 ppm2 0.976
ASSI (
(( segid " " and resid 1135 and name HG2 ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 9493 weight 0.10000E+01 volume 0.22800E+00 ppm1 2.063 ppm2 0.962
ASSI (
(( segid " " and resid 1136 and name HA ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 6441 weight 0.10000E+01 volume -0.43500E+00 ppm1 4.992 ppm2 0.978
ASSI (
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 9176 weight 0.10000E+01 volume 0.53300E+00 ppm1 2.240 ppm2 0.973
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 6402 weight 0.10000E+01 volume 0.78400E+00 ppm1 0.106 ppm2 8.273
ASSI (
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)(
(( segid " " and resid 1124 and name HB1 ))
)
5.000 5.000 0.000 peak 7078 weight 0.10000E+01 volume 0.64000E+00 ppm1 0.501 ppm2 2.109
ASSI (
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1124 and name HB1 ))
)
3.300 3.300 0.000 peak 7091 weight 0.10000E+01 volume 0.27330E+01 ppm1 1.870 ppm2 2.107
ASSI (
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
)(
(( segid " " and resid 1124 and name HD2 ))
)
3.300 3.300 0.000 peak 9477 weight 0.10000E+01 volume 0.26780E+01 ppm1 1.873 ppm2 2.970
ASSI (
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)(
(( segid " " and resid 1125 and name HA ))
)
3.300 3.300 0.000 peak 9481 weight 0.10000E+01 volume 0.22460E+01 ppm1 0.880 ppm2 4.583
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
6.000 6.000 0.000 peak 9118 weight 0.10000E+01 volume -0.34700E+00 ppm1 6.820 ppm2 0.701
ASSI (
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)(
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)
6.000 6.000 0.000 peak 9462 weight 0.10000E+01 volume 0.28500E+00 ppm1 0.849 ppm2 3.906
ASSI (
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
3.300 3.300 0.000 peak 9147 weight 0.10000E+01 volume 0.22330E+01 ppm1 1.551 ppm2 0.827
ASSI (
(( segid " " and resid 1127 and name HB ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
2.700 2.700 0.000 peak 9125 weight 0.10000E+01 volume 0.38880E+01 ppm1 1.877 ppm2 0.829
ASSI (
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)(
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
5.000 5.000 0.000 peak 7968 weight 0.10000E+01 volume -0.15090E+01 ppm1 3.901 ppm2 0.844
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
5.000 5.000 0.000 peak 8108 weight 0.10000E+01 volume -0.12000E+01 ppm1 6.820 ppm2 7.123
ASSI (
(( segid " " and resid 1112 and name HD1 ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
5.000 5.000 0.000 peak 7294 weight 0.10000E+01 volume -0.10310E+01 ppm1 3.537 ppm2 6.817
ASSI (
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
5.000 5.000 0.000 peak 9109 weight 0.10000E+01 volume -0.63800E+00 ppm1 7.114 ppm2 6.818
ASSI (
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
5.000 5.000 0.000 peak 9052 weight 0.10000E+01 volume 0.10500E+01 ppm1 0.578 ppm2 6.818
ASSI (
(( segid " " and resid 1130 and name HD2 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
5.000 5.000 0.000 peak 9102 weight 0.10000E+01 volume -0.13470E+01 ppm1 3.404 ppm2 1.389
ASSI (
(( segid " " and resid 1130 and name HG1 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
5.000 5.000 0.000 peak 9103 weight 0.10000E+01 volume 0.48400E+00 ppm1 2.029 ppm2 1.383
ASSI (
(( segid " " and resid 1130 and name HG2 ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
5.000 5.000 0.000 peak 9104 weight 0.10000E+01 volume 0.76700E+00 ppm1 1.905 ppm2 1.383
ASSI (
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
5.000 5.000 0.000 peak 9117 weight 0.10000E+01 volume -0.52100E+00 ppm1 6.817 ppm2 0.574
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
2.700 2.700 0.000 peak 7770 weight 0.10000E+01 volume 0.36750E+01 ppm1 0.099 ppm2 0.584
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)
6.000 6.000 0.000 peak 8858 weight 0.10000E+01 volume 0.20500E+00 ppm1 0.755 ppm2 0.101
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
5.000 5.000 0.000 peak 9048 weight 0.10000E+01 volume 0.12560E+01 ppm1 0.195 ppm2 2.459
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
5.000 5.000 0.000 peak 7694 weight 0.10000E+01 volume -0.13640E+01 ppm1 6.599 ppm2 2.455
ASSI (
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
5.000 5.000 0.000 peak 7703 weight 0.10000E+01 volume 0.10270E+01 ppm1 0.199 ppm2 6.598
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 7705 weight 0.10000E+01 volume 0.34200E+00 ppm1 0.438 ppm2 6.599
ASSI (
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 6404 weight 0.10000E+01 volume 0.34700E+00 ppm1 0.106 ppm2 6.585
ASSI (
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
3.300 3.300 0.000 peak 7709 weight 0.10000E+01 volume -0.17910E+01 ppm1 6.434 ppm2 6.599
ASSI (
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
5.000 5.000 0.000 peak 8893 weight 0.10000E+01 volume 0.55800E+00 ppm1 0.435 ppm2 6.437
ASSI (
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
5.000 5.000 0.000 peak 7692 weight 0.10000E+01 volume -0.14010E+01 ppm1 6.601 ppm2 6.441
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
6.000 6.000 0.000 peak 7675 weight 0.10000E+01 volume -0.21700E+00 ppm1 6.846 ppm2 0.430
ASSI (
(( segid " " and resid 1141 and name HB1 ))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 9000 weight 0.10000E+01 volume 0.32700E+00 ppm1 2.071 ppm2 0.637
ASSI (
(( segid " " and resid 1141 and name HB2 ))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
5.000 5.000 0.000 peak 8999 weight 0.10000E+01 volume 0.91200E+00 ppm1 1.192 ppm2 0.637
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 7676 weight 0.10000E+01 volume -0.19200E+00 ppm1 6.847 ppm2 0.636
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1141 and name HG ))
)
3.300 3.300 0.000 peak 9428 weight 0.10000E+01 volume 0.22740E+01 ppm1 0.630 ppm2 1.421
ASSI (
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
5.000 5.000 0.000 peak 7724 weight 0.10000E+01 volume -0.15220E+01 ppm1 6.196 ppm2 6.670
ASSI (
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)(
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)
5.000 5.000 0.000 peak 8086 weight 0.10000E+01 volume -0.10600E+01 ppm1 6.668 ppm2 6.198
ASSI (
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)(
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 9307 weight 0.10000E+01 volume 0.69000E+00 ppm1 0.418 ppm2 2.184
ASSI (
(( segid " " and resid 1148 and name HG1 ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
6.000 6.000 0.000 peak 3339 weight 0.10000E+01 volume 0.28700E+00 ppm1 1.579 ppm2 0.587
ASSI (
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)(
(( segid " " and resid 1144 and name HN ))
)
5.000 5.000 0.000 peak 8527 weight 0.10000E+01 volume 0.55100E+00 ppm1 0.758 ppm2 8.576
ASSI (
(( segid " " and resid 1148 and name HG1 ))
)(
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)
3.300 3.300 0.000 peak 9060 weight 0.10000E+01 volume 0.24860E+01 ppm1 1.579 ppm2 1.769
ASSI (
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
3.300 3.300 0.000 peak 7773 weight 0.10000E+01 volume 0.16020E+01 ppm1 0.099 ppm2 0.435
ASSI (
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
3.300 3.300 0.000 peak 8859 weight 0.10000E+01 volume 0.23250E+01 ppm1 0.756 ppm2 0.441
ASSI (
(( segid " " and resid 1157 and name HB1 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
6.000 6.000 0.000 peak 8714 weight 0.10000E+01 volume 0.39700E+00 ppm1 3.490 ppm2 0.438
ASSI (
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)(
(( segid " " and resid 1151 and name HA ))
)
5.000 5.000 0.000 peak 6263 weight 0.10000E+01 volume 0.79900E+00 ppm1 1.050 ppm2 5.435
ASSI (
(( segid " " and resid 1131 and name HA ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
5.000 5.000 0.000 peak 7005 weight 0.10000E+01 volume -0.12430E+01 ppm1 3.808 ppm2 1.055
ASSI (
(( segid " " and resid 1154 and name HB2 ))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)
6.000 6.000 0.000 peak 8819 weight 0.10000E+01 volume 0.23800E+00 ppm1 2.695 ppm2 1.717
ASSI (
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)(
(( segid " " and resid 1160 and name HD1 ))
)
5.000 5.000 0.000 peak 8712 weight 0.10000E+01 volume 0.40800E+00 ppm1 2.414 ppm2 3.987
ASSI (
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
)(
(( segid " " and resid 1164 and name HA ))
)
3.300 3.300 0.000 peak 7589 weight 0.10000E+01 volume 0.16030E+01 ppm1 0.664 ppm2 4.360
ASSI (
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
)
5.000 5.000 0.000 peak 9322 weight 0.10000E+01 volume 0.11800E+01 ppm1 1.364 ppm2 0.662
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 7791 weight 0.10000E+01 volume -0.40200E+00 ppm1 7.164 ppm2 1.030
ASSI (
(( segid " " and resid 1179 and name HA ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
5.000 5.000 0.000 peak 6321 weight 0.10000E+01 volume -0.14650E+01 ppm1 5.227 ppm2 0.745
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
5.000 5.000 0.000 peak 7789 weight 0.10000E+01 volume -0.41300E+00 ppm1 7.170 ppm2 0.503
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
5.000 5.000 0.000 peak 7687 weight 0.10000E+01 volume 0.54200E+00 ppm1 0.432 ppm2 6.846
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
6.000 6.000 0.000 peak 7688 weight 0.10000E+01 volume 0.33700E+00 ppm1 0.629 ppm2 6.842
ASSI (
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
6.000 6.000 0.000 peak 7849 weight 0.10000E+01 volume 0.37700E+00 ppm1 0.431 ppm2 6.699
ASSI (
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
6.000 6.000 0.000 peak 9639 weight 0.10000E+01 volume 0.26400E+00 ppm1 0.629 ppm2 6.740
ASSI (
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
6.000 6.000 0.000 peak 9297 weight 0.10000E+01 volume 0.19900E+00 ppm1 0.767 ppm2 6.738
ASSI (
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
2.700 2.700 0.000 peak 7683 weight 0.10000E+01 volume -0.31000E+01 ppm1 6.848 ppm2 6.735
ASSI (
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)(
(( segid " " and resid 1190 and name HN ))
)
6.000 6.000 0.000 peak 7454 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.913 ppm2 7.368
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1197 and name HA ))
)
5.000 5.000 0.000 peak 6809 weight 0.10000E+01 volume 0.97100E+00 ppm1 0.150 ppm2 4.040
ASSI (
(( segid " " and resid 1191 and name HB2 ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
5.000 5.000 0.000 peak 7799 weight 0.10000E+01 volume -0.14810E+01 ppm1 3.438 ppm2 0.631
ASSI (
(( segid " " and resid 1197 and name HB ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
3.300 3.300 0.000 peak 8219 weight 0.10000E+01 volume 0.27650E+01 ppm1 1.547 ppm2 0.631
ASSI (
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
2.700 2.700 0.000 peak 7779 weight 0.10000E+01 volume 0.40690E+01 ppm1 0.146 ppm2 0.633
ASSI (
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
5.000 5.000 0.000 peak 8592 weight 0.10000E+01 volume 0.11010E+01 ppm1 0.700 ppm2 0.151
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
3.300 3.300 0.000 peak 8385 weight 0.10000E+01 volume 0.26850E+01 ppm1 0.492 ppm2 0.147
ASSI (
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
6.000 6.000 0.000 peak 7783 weight 0.10000E+01 volume -0.26900E+00 ppm1 7.173 ppm2 0.137
ASSI (
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 8605 weight 0.10000E+01 volume 0.70500E+00 ppm1 1.027 ppm2 7.169
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 7443 weight 0.10000E+01 volume 0.71200E+00 ppm1 0.371 ppm2 7.163
ASSI (
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 8394 weight 0.10000E+01 volume 0.12530E+01 ppm1 0.491 ppm2 7.166
ASSI (
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
5.000 5.000 0.000 peak 7835 weight 0.10000E+01 volume 0.59400E+00 ppm1 0.529 ppm2 7.170
ASSI (
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
)
6.000 6.000 0.000 peak 7717 weight 0.10000E+01 volume -0.28400E+00 ppm1 6.787 ppm2 7.166
ASSI (
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)(
(( segid " " and resid 1199 and name HN ))
)
5.000 5.000 0.000 peak 7914 weight 0.10000E+01 volume 0.65500E+00 ppm1 0.687 ppm2 8.458
ASSI (
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)(
(( segid " " and resid 1200 and name HA ))
)
5.000 5.000 0.000 peak 6798 weight 0.10000E+01 volume 0.89000E+00 ppm1 0.779 ppm2 4.585
ASSI (
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
2.700 2.700 0.000 peak 8419 weight 0.10000E+01 volume 0.31290E+01 ppm1 1.222 ppm2 0.620
ASSI (
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
2.700 2.700 0.000 peak 8175 weight 0.10000E+01 volume 0.39390E+01 ppm1 0.784 ppm2 0.619
ASSI (
(( segid " " and resid 1207 and name HB1 ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
3.300 3.300 0.000 peak 8037 weight 0.10000E+01 volume 0.22010E+01 ppm1 1.791 ppm2 0.853
ASSI (
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)(
(( segid " " and resid 1217 and name HB ))
)
2.700 2.700 0.000 peak 7200 weight 0.10000E+01 volume 0.31720E+01 ppm1 1.047 ppm2 3.890
ASSI (
(( segid " " and resid 1194 and name HA2 ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
5.000 5.000 0.000 peak 6742 weight 0.10000E+01 volume -0.70800E+00 ppm1 3.587 ppm2 1.052
ASSI (
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)(
(( segid " " and resid 1225 and name HB2 ))
OR
(( segid " " and resid 1225 and name HB1 ))
)
5.000 5.000 0.000 peak 7439 weight 0.10000E+01 volume 0.55200E+00 ppm1 0.372 ppm2 2.529
ASSI (
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)
5.000 5.000 0.000 peak 7739 weight 0.10000E+01 volume 0.96800E+00 ppm1 -0.388 ppm2 6.738
ASSI (
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)(
(( segid " " and resid 1226 and name HD2 ))
)
6.000 6.000 0.000 peak 6370 weight 0.10000E+01 volume 0.32600E+00 ppm1 0.742 ppm2 2.862
ASSI (
(( segid " " and resid 1107 and name HN ))
)(
(( segid " " and resid 1106 and name HA ))
)
2.700 2.700 0.000 peak 9251 weight 0.10000E+01 volume 0.60170E+01 ppm1 8.246 ppm2 4.532
ASSI (
(( segid " " and resid 1137 and name HE22))
)(
(( segid " " and resid 1137 and name HB2 ))
)
6.000 6.000 0.000 peak 8781 weight 0.10000E+01 volume 0.20300E+00 ppm1 6.705 ppm2 1.768
ASSI (
(( segid " " and resid 1137 and name HE21))
)(
(( segid " " and resid 1137 and name HB2 ))
)
6.000 6.000 0.000 peak 8786 weight 0.10000E+01 volume 0.19000E+00 ppm1 7.406 ppm2 1.775
ASSI (
(( segid " " and resid 1137 and name HE21))
)(
(( segid " " and resid 1137 and name HB1 ))
)
6.000 6.000 0.000 peak 8787 weight 0.10000E+01 volume 0.14400E+00 ppm1 7.406 ppm2 1.873
ASSI (
(( segid " " and resid 1137 and name HE21))
)(
(( segid " " and resid 1139 and name HA ))
OR
(( segid " " and resid 1121 and name HA ))
)
6.000 6.000 0.000 peak 8791 weight 0.10000E+01 volume 0.17100E+00 ppm1 7.406 ppm2 4.135
ASSI (
(( segid " " and resid 1137 and name HE22))
)(
(( segid " " and resid 1139 and name HA ))
OR
(( segid " " and resid 1121 and name HA ))
)
6.000 6.000 0.000 peak 8780 weight 0.10000E+01 volume 0.15000E+00 ppm1 6.701 ppm2 4.144
ASSI (
(( segid " " and resid 1213 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1226 and name HB2 ))
OR
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
6.000 6.000 0.000 peak 4570 weight 0.10000E+01 volume 0.30600E+00 ppm1 7.823 ppm2 1.600
ASSI (
(( segid " " and resid 1213 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1149 and name HB1 ))
)
6.000 6.000 0.000 peak 4569 weight 0.10000E+01 volume 0.34400E+00 ppm1 7.822 ppm2 1.691
ASSI (
(( segid " " and resid 1213 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1215 and name HB1 ))
OR
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
OR
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)
6.000 6.000 0.000 peak 4568 weight 0.10000E+01 volume 0.24300E+00 ppm1 7.823 ppm2 1.766
ASSI (
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1147 and name HB1 ))
)
5.000 5.000 0.000 peak 4564 weight 0.10000E+01 volume 0.89200E+00 ppm1 7.824 ppm2 2.911
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1212 and name HB2 ))
)
5.000 5.000 0.000 peak 4563 weight 0.10000E+01 volume 0.68200E+00 ppm1 7.817 ppm2 3.041
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1212 and name HB1 ))
)
5.000 5.000 0.000 peak 4562 weight 0.10000E+01 volume 0.80100E+00 ppm1 7.817 ppm2 3.186
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1213 and name HA ))
)
3.300 3.300 0.000 peak 4561 weight 0.10000E+01 volume 0.17120E+01 ppm1 7.817 ppm2 4.395
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1212 and name HN ))
)
5.000 5.000 0.000 peak 4558 weight 0.10000E+01 volume 0.66300E+00 ppm1 7.816 ppm2 8.564
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
OR
(( segid " " and resid 1179 and name HG23))
)
6.000 6.000 0.000 peak 4575 weight 0.10000E+01 volume 0.25300E+00 ppm1 7.825 ppm2 0.699
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 4574 weight 0.10000E+01 volume 0.55900E+00 ppm1 7.821 ppm2 0.942
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)
2.700 2.700 0.000 peak 4572 weight 0.10000E+01 volume 0.61630E+01 ppm1 7.824 ppm2 1.220
ASSI (
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1149 and name HG2 ))
OR
(( segid " " and resid 1144 and name HG ))
)
6.000 6.000 0.000 peak 4571 weight 0.10000E+01 volume 0.21200E+00 ppm1 7.825 ppm2 1.340
ASSI (
(( segid " " and resid 1213 and name HN ))
)(
(( segid " " and resid 1211 and name HB2 ))
)
6.000 6.000 0.000 peak 4576 weight 0.10000E+01 volume 0.27800E+00 ppm1 7.822 ppm2 3.766
ASSI (
(( segid " " and resid 1213 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1148 and name HA ))
)
6.000 6.000 0.000 peak 4577 weight 0.10000E+01 volume 0.38900E+00 ppm1 7.822 ppm2 3.928
ASSI (
(( segid " " and resid 1213 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
OR
(( segid " " and resid 1158 and name HB2 ))
)
6.000 6.000 0.000 peak 4578 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.826 ppm2 4.151
ASSI (
(( segid " " and resid 1213 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)(
(( segid " " and resid 1214 and name HN ))
OR
(( segid " " and resid 1151 and name HN ))
OR
(( segid " " and resid 1147 and name HN ))
)
5.000 5.000 0.000 peak 4546 weight 0.10000E+01 volume 0.58500E+00 ppm1 7.818 ppm2 8.369
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 5222 weight 0.10000E+01 volume 0.13200E+00 ppm1 7.786 ppm2 -0.422
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1133 and name HB1 ))
)
5.000 5.000 0.000 peak 5848 weight 0.10000E+01 volume 0.12020E+01 ppm1 8.244 ppm2 3.808
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1134 and name HA ))
)
5.000 5.000 0.000 peak 5851 weight 0.10000E+01 volume 0.80100E+00 ppm1 8.245 ppm2 4.371
ASSI (
(( segid " " and resid 1228 and name HN ))
OR
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1172 and name HN ))
OR
(( segid " " and resid 1147 and name HN ))
)(
(( segid " " and resid 1213 and name HN ))
OR
(( segid " " and resid 1179 and name HN ))
OR
(( segid " " and resid 1177 and name HN ))
OR
(( segid " " and resid 1175 and name HN ))
OR
(( segid " " and resid 1147 and name HD21))
)
5.000 5.000 0.000 peak 377 weight 0.10000E+01 volume 0.72400E+00 ppm1 8.344 ppm2 7.832
ASSI (
(( segid " " and resid 1228 and name HN ))
)(
(( segid " " and resid 1227 and name HN ))
)
5.000 5.000 0.000 peak 378 weight 0.10000E+01 volume 0.50500E+00 ppm1 8.340 ppm2 7.963
ASSI (
(( segid " " and resid 1205 and name HN ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
3.300 3.300 0.000 peak 2129 weight 0.10000E+01 volume 0.27780E+01 ppm1 8.297 ppm2 6.642
ASSI (
(( segid " " and resid 1228 and name HN ))
OR
(( segid " " and resid 1181 and name HN ))
OR
(( segid " " and resid 1105 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1198 and name HG2 ))
OR
(( segid " " and resid 1186 and name HD2 ))
OR
(( segid " " and resid 1186 and name HD1 ))
OR
(( segid " " and resid 1175 and name HB1 ))
OR
(( segid " " and resid 1130 and name HG1 ))
)
5.000 5.000 0.000 peak 2557 weight 0.10000E+01 volume 0.10440E+01 ppm1 8.339 ppm2 2.078
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1183 and name HD1 ))
)
6.000 6.000 0.000 peak 5082 weight 0.10000E+01 volume 0.96000E-01 ppm1 8.087 ppm2 7.282
ASSI (
(( segid " " and resid 1107 and name HN ))
)(
(( segid " " and resid 1106 and name HB1 ))
)
5.000 5.000 0.000 peak 5803 weight 0.10000E+01 volume 0.91000E+00 ppm1 8.246 ppm2 3.108
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
)
6.000 6.000 0.000 peak 6714 weight 0.10000E+01 volume 0.31500E+00 ppm1 7.491 ppm2 0.811
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
5.000 5.000 0.000 peak 6711 weight 0.10000E+01 volume 0.12890E+01 ppm1 7.492 ppm2 1.538
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1108 and name HB2 ))
)
3.300 3.300 0.000 peak 6710 weight 0.10000E+01 volume 0.22510E+01 ppm1 7.490 ppm2 1.653
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1108 and name HB1 ))
)
5.000 5.000 0.000 peak 6709 weight 0.10000E+01 volume 0.15200E+01 ppm1 7.494 ppm2 1.787
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1130 and name HG2 ))
OR
(( segid " " and resid 1130 and name HB2 ))
)
5.000 5.000 0.000 peak 6708 weight 0.10000E+01 volume 0.53100E+00 ppm1 7.492 ppm2 1.881
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1130 and name HG1 ))
)
6.000 6.000 0.000 peak 6707 weight 0.10000E+01 volume 0.17100E+00 ppm1 7.492 ppm2 2.017
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1109 and name HB1 ))
OR
(( segid " " and resid 1108 and name HE2 ))
OR
(( segid " " and resid 1108 and name HE1 ))
)
6.000 6.000 0.000 peak 6704 weight 0.10000E+01 volume 0.37800E+00 ppm1 7.490 ppm2 2.888
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1154 and name HB1 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1106 and name HB2 ))
)
6.000 6.000 0.000 peak 6705 weight 0.10000E+01 volume 0.16500E+00 ppm1 7.491 ppm2 2.999
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1106 and name HB1 ))
)
6.000 6.000 0.000 peak 6706 weight 0.10000E+01 volume 0.17400E+00 ppm1 7.492 ppm2 3.134
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1130 and name HD1 ))
)
6.000 6.000 0.000 peak 6703 weight 0.10000E+01 volume 0.27800E+00 ppm1 7.492 ppm2 3.631
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1108 and name HA ))
)
3.300 3.300 0.000 peak 6701 weight 0.10000E+01 volume 0.19390E+01 ppm1 7.491 ppm2 4.249
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1109 and name HA ))
OR
(( segid " " and resid 1106 and name HA ))
)
5.000 5.000 0.000 peak 6699 weight 0.10000E+01 volume 0.60500E+00 ppm1 7.491 ppm2 4.527
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1107 and name HN ))
)
3.300 3.300 0.000 peak 6150 weight 0.10000E+01 volume 0.20160E+01 ppm1 7.488 ppm2 8.244
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1155 and name HA1 ))
OR
(( segid " " and resid 1130 and name HA ))
OR
(( segid " " and resid 1110 and name HA2 ))
)
6.000 6.000 0.000 peak 6137 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.621 ppm2 3.926
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
5.000 5.000 0.000 peak 6149 weight 0.10000E+01 volume 0.79300E+00 ppm1 8.619 ppm2 0.810
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1108 and name HG2 ))
)
5.000 5.000 0.000 peak 6148 weight 0.10000E+01 volume 0.73300E+00 ppm1 8.620 ppm2 1.273
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
OR
(( segid " " and resid 1108 and name HG1 ))
)
5.000 5.000 0.000 peak 6147 weight 0.10000E+01 volume 0.78200E+00 ppm1 8.618 ppm2 1.385
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
5.000 5.000 0.000 peak 6146 weight 0.10000E+01 volume 0.67300E+00 ppm1 8.618 ppm2 1.538
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1108 and name HB2 ))
)
5.000 5.000 0.000 peak 6145 weight 0.10000E+01 volume 0.16420E+01 ppm1 8.618 ppm2 1.653
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1108 and name HB1 ))
)
3.300 3.300 0.000 peak 6144 weight 0.10000E+01 volume 0.19350E+01 ppm1 8.617 ppm2 1.789
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1156 and name HB2 ))
OR
(( segid " " and resid 1130 and name HG2 ))
OR
(( segid " " and resid 1130 and name HB2 ))
OR
(( segid " " and resid 1127 and name HB ))
)
5.000 5.000 0.000 peak 6143 weight 0.10000E+01 volume 0.70700E+00 ppm1 8.617 ppm2 1.886
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1128 and name HB2 ))
)
5.000 5.000 0.000 peak 6141 weight 0.10000E+01 volume 0.57400E+00 ppm1 8.618 ppm2 2.488
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1130 and name HD2 ))
)
5.000 5.000 0.000 peak 6139 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.620 ppm2 3.386
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1108 and name HA ))
)
2.700 2.700 0.000 peak 6136 weight 0.10000E+01 volume 0.51420E+01 ppm1 8.618 ppm2 4.259
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1129 and name HA ))
)
5.000 5.000 0.000 peak 6135 weight 0.10000E+01 volume 0.70900E+00 ppm1 8.619 ppm2 4.347
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1127 and name HA ))
OR
(( segid " " and resid 1110 and name HA1 ))
)
6.000 6.000 0.000 peak 6133 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.618 ppm2 4.684
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1157 and name HD1 ))
OR
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 6132 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.618 ppm2 7.104
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1152 and name HN ))
OR
(( segid " " and resid 1129 and name HN ))
)
6.000 6.000 0.000 peak 6129 weight 0.10000E+01 volume 0.28700E+00 ppm1 8.615 ppm2 8.338
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1130 and name HD1 ))
OR
(( segid " " and resid 1111 and name HD2 ))
)
6.000 6.000 0.000 peak 6138 weight 0.10000E+01 volume 0.12700E+00 ppm1 8.621 ppm2 3.630
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
OR
(( segid " " and resid 1125 and name HB2 ))
)
6.000 6.000 0.000 peak 6128 weight 0.10000E+01 volume -0.17100E+00 ppm1 8.117 ppm2 0.802
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1156 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
OR
(( segid " " and resid 1108 and name HB1 ))
)
6.000 6.000 0.000 peak 6127 weight 0.10000E+01 volume -0.24900E+00 ppm1 8.113 ppm2 1.812
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
6.000 6.000 0.000 peak 6126 weight 0.10000E+01 volume -0.17900E+00 ppm1 8.111 ppm2 2.166
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1128 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB1 ))
)
6.000 6.000 0.000 peak 6124 weight 0.10000E+01 volume -0.27000E+00 ppm1 8.112 ppm2 2.474
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1111 and name HD2 ))
)
5.000 5.000 0.000 peak 6122 weight 0.10000E+01 volume -0.64700E+00 ppm1 8.114 ppm2 3.627
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1155 and name HA1 ))
OR
(( segid " " and resid 1111 and name HD1 ))
)
5.000 5.000 0.000 peak 6121 weight 0.10000E+01 volume -0.10120E+01 ppm1 8.114 ppm2 3.859
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1154 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)
6.000 6.000 0.000 peak 6119 weight 0.10000E+01 volume -0.25900E+00 ppm1 8.112 ppm2 4.246
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1109 and name HA ))
)
2.700 2.700 0.000 peak 6118 weight 0.10000E+01 volume -0.60000E+01 ppm1 8.111 ppm2 4.514
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1157 and name HZ2 ))
)
6.000 6.000 0.000 peak 6116 weight 0.10000E+01 volume -0.18900E+00 ppm1 8.117 ppm2 6.514
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1157 and name HD1 ))
OR
(( segid " " and resid 1128 and name HD2 ))
)
5.000 5.000 0.000 peak 6115 weight 0.10000E+01 volume -0.44400E+00 ppm1 8.116 ppm2 7.110
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 6111 weight 0.10000E+01 volume 0.11930E+01 ppm1 8.706 ppm2 0.174
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
3.300 3.300 0.000 peak 6110 weight 0.10000E+01 volume 0.19200E+01 ppm1 8.701 ppm2 0.418
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1115 and name HG12))
)
3.300 3.300 0.000 peak 6109 weight 0.10000E+01 volume 0.17300E+01 ppm1 8.705 ppm2 0.659
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1115 and name HG11))
)
3.300 3.300 0.000 peak 6108 weight 0.10000E+01 volume 0.17400E+01 ppm1 8.705 ppm2 0.857
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1115 and name HB ))
)
5.000 5.000 0.000 peak 6107 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.703 ppm2 1.555
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1114 and name HG2 ))
OR
(( segid " " and resid 1114 and name HG1 ))
)
5.000 5.000 0.000 peak 6105 weight 0.10000E+01 volume 0.99900E+00 ppm1 8.705 ppm2 1.959
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1114 and name HD2 ))
)
6.000 6.000 0.000 peak 6102 weight 0.10000E+01 volume 0.21000E+00 ppm1 8.705 ppm2 3.620
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1118 and name HA2 ))
OR
(( segid " " and resid 1117 and name HA ))
OR
(( segid " " and resid 1114 and name HD1 ))
)
5.000 5.000 0.000 peak 6101 weight 0.10000E+01 volume 0.40100E+00 ppm1 8.707 ppm2 3.795
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1118 and name HA1 ))
OR
(( segid " " and resid 1115 and name HA ))
)
3.300 3.300 0.000 peak 6100 weight 0.10000E+01 volume 0.17860E+01 ppm1 8.705 ppm2 4.507
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
6.000 6.000 0.000 peak 6098 weight 0.10000E+01 volume 0.29400E+00 ppm1 8.710 ppm2 4.984
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
5.000 5.000 0.000 peak 6097 weight 0.10000E+01 volume 0.41400E+00 ppm1 8.707 ppm2 6.577
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
OR
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
6.000 6.000 0.000 peak 6103 weight 0.10000E+01 volume 0.20400E+00 ppm1 8.704 ppm2 2.450
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 6092 weight 0.10000E+01 volume 0.67800E+00 ppm1 8.171 ppm2 0.169
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1115 and name HG12))
)
6.000 6.000 0.000 peak 6088 weight 0.10000E+01 volume 0.29900E+00 ppm1 8.170 ppm2 0.664
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1115 and name HG11))
)
5.000 5.000 0.000 peak 6089 weight 0.10000E+01 volume 0.42000E+00 ppm1 8.172 ppm2 0.839
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1115 and name HB ))
)
3.300 3.300 0.000 peak 6087 weight 0.10000E+01 volume 0.29660E+01 ppm1 8.172 ppm2 1.547
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
2.700 2.700 0.000 peak 6086 weight 0.10000E+01 volume 0.53400E+01 ppm1 8.167 ppm2 2.482
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1116 and name HA ))
)
3.300 3.300 0.000 peak 6083 weight 0.10000E+01 volume 0.20490E+01 ppm1 8.171 ppm2 4.347
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1118 and name HN ))
)
6.000 6.000 0.000 peak 6052 weight 0.10000E+01 volume 0.14700E+00 ppm1 8.168 ppm2 7.236
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1117 and name HB2 ))
)
5.000 5.000 0.000 peak 6081 weight 0.10000E+01 volume 0.69100E+00 ppm1 8.869 ppm2 1.255
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 6080 weight 0.10000E+01 volume 0.49700E+00 ppm1 8.870 ppm2 2.082
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
5.000 5.000 0.000 peak 6079 weight 0.10000E+01 volume 0.16750E+01 ppm1 8.869 ppm2 2.482
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1117 and name HA ))
)
2.700 2.700 0.000 peak 6078 weight 0.10000E+01 volume 0.39430E+01 ppm1 8.866 ppm2 3.761
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1118 and name HA1 ))
OR
(( segid " " and resid 1115 and name HA ))
)
5.000 5.000 0.000 peak 6076 weight 0.10000E+01 volume 0.48400E+00 ppm1 8.871 ppm2 4.497
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1139 and name HE22))
OR
(( segid " " and resid 1117 and name HD22))
)
5.000 5.000 0.000 peak 6074 weight 0.10000E+01 volume 0.42400E+00 ppm1 8.870 ppm2 6.637
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1117 and name HD21))
)
5.000 5.000 0.000 peak 6073 weight 0.10000E+01 volume 0.40600E+00 ppm1 8.870 ppm2 7.411
ASSI (
(( segid " " and resid 1117 and name HD21))
)(
(( segid " " and resid 1117 and name HB2 ))
)
5.000 5.000 0.000 peak 9195 weight 0.10000E+01 volume 0.50800E+00 ppm1 7.409 ppm2 1.255
ASSI (
(( segid " " and resid 1117 and name HD21))
)(
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 9194 weight 0.10000E+01 volume 0.59500E+00 ppm1 7.409 ppm2 2.081
ASSI (
(( segid " " and resid 1117 and name HD21))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
OR
(( segid " " and resid 1116 and name HA ))
)
6.000 6.000 0.000 peak 9192 weight 0.10000E+01 volume 0.82000E-01 ppm1 7.409 ppm2 4.349
ASSI (
(( segid " " and resid 1117 and name HD21))
)(
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)
5.000 5.000 0.000 peak 9189 weight 0.10000E+01 volume 0.45700E+00 ppm1 7.410 ppm2 6.181
ASSI (
(( segid " " and resid 1117 and name HD22))
)(
(( segid " " and resid 1117 and name HB2 ))
)
5.000 5.000 0.000 peak 9196 weight 0.10000E+01 volume 0.48400E+00 ppm1 6.631 ppm2 1.253
ASSI (
(( segid " " and resid 1117 and name HD22))
)(
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 9197 weight 0.10000E+01 volume 0.55700E+00 ppm1 6.632 ppm2 2.085
ASSI (
(( segid " " and resid 1117 and name HD22))
)(
(( segid " " and resid 1116 and name HA ))
)
6.000 6.000 0.000 peak 9199 weight 0.10000E+01 volume 0.12600E+00 ppm1 6.632 ppm2 4.336
ASSI (
(( segid " " and resid 1117 and name HD22))
)(
(( segid " " and resid 1142 and name HE2 ))
)
6.000 6.000 0.000 peak 9188 weight 0.10000E+01 volume 0.32900E+00 ppm1 6.627 ppm2 6.185
ASSI (
(( segid " " and resid 1117 and name HD22))
)(
(( segid " " and resid 1117 and name HN ))
)
6.000 6.000 0.000 peak 9201 weight 0.10000E+01 volume 0.20400E+00 ppm1 6.631 ppm2 8.869
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1138 and name HA ))
)
5.000 5.000 0.000 peak 5277 weight 0.10000E+01 volume -0.48800E+00 ppm1 7.235 ppm2 5.124
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 6070 weight 0.10000E+01 volume -0.88600E+00 ppm1 7.231 ppm2 0.176
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
6.000 6.000 0.000 peak 6069 weight 0.10000E+01 volume -0.35300E+00 ppm1 7.234 ppm2 0.417
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1115 and name HG12))
)
5.000 5.000 0.000 peak 6068 weight 0.10000E+01 volume -0.61900E+00 ppm1 7.232 ppm2 0.653
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1115 and name HG11))
)
5.000 5.000 0.000 peak 6067 weight 0.10000E+01 volume -0.93300E+00 ppm1 7.232 ppm2 0.854
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1139 and name HB2 ))
OR
(( segid " " and resid 1115 and name HB ))
)
6.000 6.000 0.000 peak 6065 weight 0.10000E+01 volume -0.27000E+00 ppm1 7.232 ppm2 1.567
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1139 and name HG2 ))
OR
(( segid " " and resid 1117 and name HB1 ))
)
6.000 6.000 0.000 peak 6063 weight 0.10000E+01 volume -0.29100E+00 ppm1 7.234 ppm2 2.147
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1142 and name HB2 ))
OR
(( segid " " and resid 1139 and name HG1 ))
OR
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
OR
(( segid " " and resid 1113 and name HB1 ))
)
6.000 6.000 0.000 peak 6062 weight 0.10000E+01 volume -0.20600E+00 ppm1 7.233 ppm2 2.271
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
OR
(( segid " " and resid 1119 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
5.000 5.000 0.000 peak 6061 weight 0.10000E+01 volume -0.46900E+00 ppm1 7.234 ppm2 2.506
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1117 and name HA ))
)
3.300 3.300 0.000 peak 4346 weight 0.10000E+01 volume -0.27580E+01 ppm1 7.232 ppm2 3.767
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1116 and name HA ))
)
5.000 5.000 0.000 peak 6057 weight 0.10000E+01 volume -0.88000E+00 ppm1 7.234 ppm2 4.347
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
6.000 6.000 0.000 peak 6055 weight 0.10000E+01 volume -0.20800E+00 ppm1 7.234 ppm2 4.981
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1117 and name HB1 ))
)
6.000 6.000 0.000 peak 6064 weight 0.10000E+01 volume -0.34600E+00 ppm1 7.234 ppm2 2.078
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1117 and name HB2 ))
)
6.000 6.000 0.000 peak 6066 weight 0.10000E+01 volume -0.38600E+00 ppm1 7.233 ppm2 1.250
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
OR
(( segid " " and resid 1139 and name HE22))
OR
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
OR
(( segid " " and resid 1117 and name HD22))
)
6.000 6.000 0.000 peak 6054 weight 0.10000E+01 volume -0.25800E+00 ppm1 7.234 ppm2 6.645
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
6.000 6.000 0.000 peak 6046 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.543 ppm2 0.054
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 6045 weight 0.10000E+01 volume 0.87000E+00 ppm1 8.541 ppm2 0.172
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
6.000 6.000 0.000 peak 6044 weight 0.10000E+01 volume 0.15800E+00 ppm1 8.541 ppm2 0.420
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 6042 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.541 ppm2 0.952
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1139 and name HB2 ))
OR
(( segid " " and resid 1115 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 6041 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.541 ppm2 1.586
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1139 and name HG2 ))
OR
(( segid " " and resid 1114 and name HB1 ))
)
5.000 5.000 0.000 peak 6038 weight 0.10000E+01 volume 0.53500E+00 ppm1 8.542 ppm2 2.180
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1139 and name HG1 ))
OR
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
OR
(( segid " " and resid 1114 and name HB1 ))
)
5.000 5.000 0.000 peak 6037 weight 0.10000E+01 volume 0.60800E+00 ppm1 8.541 ppm2 2.251
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
6.000 6.000 0.000 peak 6036 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.542 ppm2 2.417
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1138 and name HB2 ))
OR
(( segid " " and resid 1119 and name HB2 ))
)
5.000 5.000 0.000 peak 6035 weight 0.10000E+01 volume 0.13850E+01 ppm1 8.541 ppm2 2.529
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1119 and name HB1 ))
)
5.000 5.000 0.000 peak 6034 weight 0.10000E+01 volume 0.10450E+01 ppm1 8.544 ppm2 2.642
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1118 and name HA2 ))
)
3.300 3.300 0.000 peak 6033 weight 0.10000E+01 volume 0.28800E+01 ppm1 8.544 ppm2 3.825
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1160 and name HD1 ))
OR
(( segid " " and resid 1148 and name HA ))
)
6.000 6.000 0.000 peak 6032 weight 0.10000E+01 volume 0.36700E+00 ppm1 8.543 ppm2 3.936
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1118 and name HA1 ))
)
3.300 3.300 0.000 peak 6031 weight 0.10000E+01 volume 0.27360E+01 ppm1 8.542 ppm2 4.531
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
3.300 3.300 0.000 peak 6029 weight 0.10000E+01 volume 0.20130E+01 ppm1 8.544 ppm2 4.980
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
5.000 5.000 0.000 peak 6026 weight 0.10000E+01 volume 0.51900E+00 ppm1 8.544 ppm2 6.583
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1139 and name HB1 ))
OR
(( segid " " and resid 1137 and name HB1 ))
OR
(( segid " " and resid 1114 and name HB2 ))
)
6.000 6.000 0.000 peak 6039 weight 0.10000E+01 volume 0.28500E+00 ppm1 8.542 ppm2 1.888
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1137 and name HB2 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)
6.000 6.000 0.000 peak 6040 weight 0.10000E+01 volume 0.32700E+00 ppm1 8.541 ppm2 1.774
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1115 and name HG11))
)
6.000 6.000 0.000 peak 6043 weight 0.10000E+01 volume 0.18700E+00 ppm1 8.543 ppm2 0.868
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1120 and name HA ))
)
5.000 5.000 0.000 peak 6030 weight 0.10000E+01 volume 0.44100E+00 ppm1 8.548 ppm2 4.725
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
3.300 3.300 0.000 peak 6022 weight 0.10000E+01 volume 0.26800E+01 ppm1 8.484 ppm2 0.078
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1120 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
5.000 5.000 0.000 peak 6018 weight 0.10000E+01 volume 0.14480E+01 ppm1 8.486 ppm2 1.501
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1119 and name HB2 ))
)
5.000 5.000 0.000 peak 6017 weight 0.10000E+01 volume 0.16340E+01 ppm1 8.488 ppm2 2.532
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1119 and name HB1 ))
)
3.300 3.300 0.000 peak 6016 weight 0.10000E+01 volume 0.21990E+01 ppm1 8.486 ppm2 2.639
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1120 and name HA ))
)
5.000 5.000 0.000 peak 6579 weight 0.10000E+01 volume 0.95100E+00 ppm1 8.492 ppm2 4.724
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
2.700 2.700 0.000 peak 6015 weight 0.10000E+01 volume 0.62810E+01 ppm1 8.486 ppm2 4.988
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 6013 weight 0.10000E+01 volume 0.22300E+00 ppm1 8.488 ppm2 6.580
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1137 and name HN ))
OR
(( segid " " and resid 1115 and name HN ))
)
6.000 6.000 0.000 peak 6023 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.485 ppm2 8.738
ASSI (
(( segid " " and resid 1121 and name HN ))
)(
(( segid " " and resid 1120 and name HB ))
)
3.300 3.300 0.000 peak 6012 weight 0.10000E+01 volume 0.19460E+01 ppm1 8.256 ppm2 1.488
ASSI (
(( segid " " and resid 1121 and name HN ))
)(
(( segid " " and resid 1134 and name HA ))
OR
(( segid " " and resid 1121 and name HB ))
)
5.000 5.000 0.000 peak 6008 weight 0.10000E+01 volume 0.64300E+00 ppm1 8.255 ppm2 4.398
ASSI (
(( segid " " and resid 1121 and name HN ))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
5.000 5.000 0.000 peak 6007 weight 0.10000E+01 volume 0.83800E+00 ppm1 8.257 ppm2 4.976
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1134 and name HA ))
OR
(( segid " " and resid 1121 and name HB ))
)
5.000 5.000 0.000 peak 5996 weight 0.10000E+01 volume 0.62900E+00 ppm1 7.058 ppm2 4.405
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
6.000 6.000 0.000 peak 6004 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.057 ppm2 0.564
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 6003 weight 0.10000E+01 volume 0.76900E+00 ppm1 7.057 ppm2 0.741
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 6002 weight 0.10000E+01 volume 0.88600E+00 ppm1 7.057 ppm2 0.953
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1120 and name HG11))
)
5.000 5.000 0.000 peak 6000 weight 0.10000E+01 volume 0.14570E+01 ppm1 7.055 ppm2 1.404
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1120 and name HB ))
)
5.000 5.000 0.000 peak 6001 weight 0.10000E+01 volume 0.15250E+01 ppm1 7.055 ppm2 1.497
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1122 and name HB2 ))
)
5.000 5.000 0.000 peak 5999 weight 0.10000E+01 volume 0.95700E+00 ppm1 7.056 ppm2 3.811
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1122 and name HB1 ))
)
5.000 5.000 0.000 peak 5998 weight 0.10000E+01 volume 0.87800E+00 ppm1 7.056 ppm2 3.958
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1123 and name HA ))
OR
(( segid " " and resid 1120 and name HA ))
)
5.000 5.000 0.000 peak 5994 weight 0.10000E+01 volume 0.65000E+00 ppm1 7.057 ppm2 4.731
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1136 and name HA ))
OR
(( segid " " and resid 1119 and name HA ))
)
6.000 6.000 0.000 peak 5993 weight 0.10000E+01 volume 0.19800E+00 ppm1 7.057 ppm2 4.976
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1124 and name HD2 ))
OR
(( segid " " and resid 1123 and name HB2 ))
OR
(( segid " " and resid 1123 and name HB1 ))
)
2.700 2.700 0.000 peak 5989 weight 0.10000E+01 volume 0.90890E+01 ppm1 8.299 ppm2 3.024
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1122 and name HB2 ))
)
3.300 3.300 0.000 peak 5987 weight 0.10000E+01 volume 0.20020E+01 ppm1 8.300 ppm2 3.811
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1122 and name HB1 ))
)
3.300 3.300 0.000 peak 5986 weight 0.10000E+01 volume 0.26830E+01 ppm1 8.299 ppm2 3.953
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1120 and name HN ))
)
6.000 6.000 0.000 peak 5497 weight 0.10000E+01 volume 0.11800E+00 ppm1 8.302 ppm2 8.536
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1124 and name HD1 ))
)
5.000 5.000 0.000 peak 5988 weight 0.10000E+01 volume 0.61900E+00 ppm1 8.302 ppm2 3.712
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
)
6.000 6.000 0.000 peak 5990 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.294 ppm2 0.854
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1126 and name HA ))
)
5.000 5.000 0.000 peak 5969 weight 0.10000E+01 volume 0.43900E+00 ppm1 7.726 ppm2 4.371
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
5.000 5.000 0.000 peak 5976 weight 0.10000E+01 volume 0.50100E+00 ppm1 7.723 ppm2 0.488
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
5.000 5.000 0.000 peak 5975 weight 0.10000E+01 volume 0.96900E+00 ppm1 7.722 ppm2 0.666
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HD21))
OR
(( segid " " and resid 1125 and name HB2 ))
)
3.300 3.300 0.000 peak 5974 weight 0.10000E+01 volume 0.26030E+01 ppm1 7.720 ppm2 0.833
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1125 and name HB1 ))
)
5.000 5.000 0.000 peak 5973 weight 0.10000E+01 volume 0.10690E+01 ppm1 7.721 ppm2 1.254
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1120 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
5.000 5.000 0.000 peak 5972 weight 0.10000E+01 volume 0.16380E+01 ppm1 7.723 ppm2 1.549
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
OR
(( segid " " and resid 1124 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 5971 weight 0.10000E+01 volume 0.88900E+00 ppm1 7.722 ppm2 1.874
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1124 and name HB1 ))
)
5.000 5.000 0.000 peak 5970 weight 0.10000E+01 volume 0.69700E+00 ppm1 7.722 ppm2 2.083
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1124 and name HA ))
)
2.700 2.700 0.000 peak 5968 weight 0.10000E+01 volume 0.49050E+01 ppm1 7.721 ppm2 4.248
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
5.000 5.000 0.000 peak 5964 weight 0.10000E+01 volume 0.72800E+00 ppm1 7.721 ppm2 6.809
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
OR
(( segid " " and resid 1122 and name HN ))
)
6.000 6.000 0.000 peak 5965 weight 0.10000E+01 volume 0.19400E+00 ppm1 7.722 ppm2 7.103
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
6.000 6.000 0.000 peak 5953 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.331 ppm2 6.804
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1127 and name HB ))
OR
(( segid " " and resid 1124 and name HG2 ))
OR
(( segid " " and resid 1124 and name HG1 ))
OR
(( segid " " and resid 1124 and name HB2 ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 5958 weight 0.10000E+01 volume 0.41500E+00 ppm1 8.330 ppm2 1.856
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
5.000 5.000 0.000 peak 5962 weight 0.10000E+01 volume 0.71300E+00 ppm1 8.333 ppm2 0.664
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
OR
(( segid " " and resid 1125 and name HD23))
OR
(( segid " " and resid 1125 and name HD22))
OR
(( segid " " and resid 1125 and name HB2 ))
)
2.700 2.700 0.000 peak 5963 weight 0.10000E+01 volume 0.36080E+01 ppm1 8.332 ppm2 0.832
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
5.000 5.000 0.000 peak 5960 weight 0.10000E+01 volume 0.41300E+00 ppm1 8.333 ppm2 1.540
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1111 and name HG2 ))
OR
(( segid " " and resid 1111 and name HG1 ))
)
6.000 6.000 0.000 peak 5959 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.332 ppm2 2.167
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)
2.700 2.700 0.000 peak 5957 weight 0.10000E+01 volume 0.33390E+01 ppm1 8.332 ppm2 3.881
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1126 and name HA ))
)
3.300 3.300 0.000 peak 5956 weight 0.10000E+01 volume 0.17450E+01 ppm1 8.331 ppm2 4.373
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1125 and name HA ))
)
2.700 2.700 0.000 peak 5954 weight 0.10000E+01 volume 0.40910E+01 ppm1 8.333 ppm2 4.572
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1127 and name HA ))
OR
(( segid " " and resid 1110 and name HA1 ))
)
5.000 5.000 0.000 peak 5955 weight 0.10000E+01 volume 0.61100E+00 ppm1 8.332 ppm2 4.683
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 5952 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.332 ppm2 7.108
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1128 and name HA ))
OR
(( segid " " and resid 1125 and name HA ))
)
5.000 5.000 0.000 peak 5941 weight 0.10000E+01 volume 0.12060E+01 ppm1 6.972 ppm2 4.571
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
5.000 5.000 0.000 peak 5949 weight 0.10000E+01 volume 0.78600E+00 ppm1 6.969 ppm2 0.663
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
OR
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
6.000 6.000 0.000 peak 5945 weight 0.10000E+01 volume 0.34900E+00 ppm1 6.968 ppm2 1.542
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1127 and name HB ))
)
3.300 3.300 0.000 peak 5944 weight 0.10000E+01 volume 0.20900E+01 ppm1 6.969 ppm2 1.860
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1126 and name HB2 ))
OR
(( segid " " and resid 1126 and name HB1 ))
)
3.300 3.300 0.000 peak 5943 weight 0.10000E+01 volume 0.18120E+01 ppm1 6.969 ppm2 3.882
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1130 and name HG1 ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 5930 weight 0.10000E+01 volume 0.31900E+00 ppm1 8.940 ppm2 2.033
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1128 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 5926 weight 0.10000E+01 volume 0.11430E+01 ppm1 8.944 ppm2 4.564
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
5.000 5.000 0.000 peak 5921 weight 0.10000E+01 volume 0.15520E+01 ppm1 8.944 ppm2 7.108
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
OR
(( segid " " and resid 1108 and name HG1 ))
)
6.000 6.000 0.000 peak 5934 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.942 ppm2 1.381
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
OR
(( segid " " and resid 1108 and name HD2 ))
OR
(( segid " " and resid 1108 and name HD1 ))
)
6.000 6.000 0.000 peak 5933 weight 0.10000E+01 volume 0.24800E+00 ppm1 8.942 ppm2 1.531
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1108 and name HB2 ))
)
6.000 6.000 0.000 peak 5932 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.942 ppm2 1.636
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1127 and name HB ))
OR
(( segid " " and resid 1111 and name HB2 ))
)
5.000 5.000 0.000 peak 5931 weight 0.10000E+01 volume 0.93400E+00 ppm1 8.944 ppm2 1.858
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1128 and name HB2 ))
)
5.000 5.000 0.000 peak 5929 weight 0.10000E+01 volume 0.81700E+00 ppm1 8.943 ppm2 2.486
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1128 and name HB1 ))
)
5.000 5.000 0.000 peak 5928 weight 0.10000E+01 volume 0.64400E+00 ppm1 8.942 ppm2 2.938
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1127 and name HA ))
)
2.700 2.700 0.000 peak 5927 weight 0.10000E+01 volume 0.32720E+01 ppm1 8.939 ppm2 4.706
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1157 and name HZ2 ))
)
6.000 6.000 0.000 peak 5924 weight 0.10000E+01 volume 0.20600E+00 ppm1 8.940 ppm2 6.519
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
6.000 6.000 0.000 peak 5923 weight 0.10000E+01 volume 0.22200E+00 ppm1 8.942 ppm2 6.811
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1132 and name HB2 ))
OR
(( segid " " and resid 1130 and name HA ))
OR
(( segid " " and resid 1110 and name HA2 ))
)
6.000 6.000 0.000 peak 5909 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.324 ppm2 3.991
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1109 and name HN ))
)
6.000 6.000 0.000 peak 5903 weight 0.10000E+01 volume 0.26700E+00 ppm1 8.325 ppm2 8.588
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1130 and name HD1 ))
)
5.000 5.000 0.000 peak 5910 weight 0.10000E+01 volume 0.51900E+00 ppm1 8.324 ppm2 3.633
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
OR
(( segid " " and resid 1125 and name HB2 ))
)
5.000 5.000 0.000 peak 5918 weight 0.10000E+01 volume 0.42100E+00 ppm1 8.324 ppm2 0.801
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1125 and name HD13))
OR
(( segid " " and resid 1125 and name HD12))
OR
(( segid " " and resid 1125 and name HD11))
)
6.000 6.000 0.000 peak 5919 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.325 ppm2 0.663
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
2.700 2.700 0.000 peak 5916 weight 0.10000E+01 volume 0.58330E+01 ppm1 8.324 ppm2 1.365
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1128 and name HB2 ))
)
5.000 5.000 0.000 peak 5913 weight 0.10000E+01 volume 0.49200E+00 ppm1 8.325 ppm2 2.482
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1128 and name HB1 ))
)
5.000 5.000 0.000 peak 5912 weight 0.10000E+01 volume 0.84300E+00 ppm1 8.326 ppm2 2.935
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1130 and name HD2 ))
)
6.000 6.000 0.000 peak 5911 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.325 ppm2 3.373
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1132 and name HB1 ))
)
6.000 6.000 0.000 peak 5908 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.325 ppm2 4.190
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1128 and name HA ))
)
2.700 2.700 0.000 peak 5906 weight 0.10000E+01 volume 0.48870E+01 ppm1 8.325 ppm2 4.563
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
5.000 5.000 0.000 peak 5904 weight 0.10000E+01 volume 0.54600E+00 ppm1 8.325 ppm2 7.108
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1152 and name HB2 ))
)
6.000 6.000 0.000 peak 5901 weight 0.10000E+01 volume 0.31800E+00 ppm1 8.990 ppm2 0.909
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
5.000 5.000 0.000 peak 5900 weight 0.10000E+01 volume 0.11320E+01 ppm1 8.990 ppm2 1.032
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
OR
(( segid " " and resid 1108 and name HB2 ))
)
6.000 6.000 0.000 peak 5898 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.988 ppm2 1.716
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1130 and name HG2 ))
OR
(( segid " " and resid 1130 and name HB2 ))
)
5.000 5.000 0.000 peak 5897 weight 0.10000E+01 volume 0.92500E+00 ppm1 8.988 ppm2 1.876
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1130 and name HG1 ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 5896 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.988 ppm2 2.014
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1131 and name HA ))
)
3.300 3.300 0.000 peak 5894 weight 0.10000E+01 volume 0.31890E+01 ppm1 8.987 ppm2 3.789
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1130 and name HA ))
)
2.700 2.700 0.000 peak 5893 weight 0.10000E+01 volume 0.34910E+01 ppm1 8.988 ppm2 3.944
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1153 and name HA ))
OR
(( segid " " and resid 1132 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 5892 weight 0.10000E+01 volume 0.53600E+00 ppm1 8.991 ppm2 4.518
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1153 and name HN ))
)
6.000 6.000 0.000 peak 5890 weight 0.10000E+01 volume 0.15000E+00 ppm1 8.993 ppm2 8.720
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1152 and name HB2 ))
)
5.000 5.000 0.000 peak 5889 weight 0.10000E+01 volume 0.67000E+00 ppm1 7.839 ppm2 0.912
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
5.000 5.000 0.000 peak 5888 weight 0.10000E+01 volume 0.54900E+00 ppm1 7.836 ppm2 1.027
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
5.000 5.000 0.000 peak 5887 weight 0.10000E+01 volume 0.60900E+00 ppm1 7.836 ppm2 1.373
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1131 and name HB3 ))
OR
(( segid " " and resid 1131 and name HB2 ))
OR
(( segid " " and resid 1131 and name HB1 ))
)
5.000 5.000 0.000 peak 5886 weight 0.10000E+01 volume 0.99300E+00 ppm1 7.838 ppm2 1.601
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1130 and name HG2 ))
OR
(( segid " " and resid 1130 and name HB2 ))
)
6.000 6.000 0.000 peak 5885 weight 0.10000E+01 volume 0.37700E+00 ppm1 7.836 ppm2 1.870
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1152 and name HB1 ))
OR
(( segid " " and resid 1130 and name HB1 ))
)
5.000 5.000 0.000 peak 5884 weight 0.10000E+01 volume 0.12020E+01 ppm1 7.837 ppm2 2.304
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1132 and name HB2 ))
)
5.000 5.000 0.000 peak 5881 weight 0.10000E+01 volume 0.10790E+01 ppm1 7.836 ppm2 4.031
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1154 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)
6.000 6.000 0.000 peak 5879 weight 0.10000E+01 volume 0.25100E+00 ppm1 7.836 ppm2 4.286
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1152 and name HA ))
OR
(( segid " " and resid 1130 and name HA ))
)
5.000 5.000 0.000 peak 5882 weight 0.10000E+01 volume 0.14420E+01 ppm1 7.839 ppm2 3.944
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1151 and name HA ))
)
6.000 6.000 0.000 peak 5876 weight 0.10000E+01 volume 0.14700E+00 ppm1 7.844 ppm2 5.415
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1151 and name HA ))
OR
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
6.000 6.000 0.000 peak 5863 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.478 ppm2 5.410
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
6.000 6.000 0.000 peak 5873 weight 0.10000E+01 volume 0.15100E+00 ppm1 8.477 ppm2 0.564
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1152 and name HN ))
OR
(( segid " " and resid 1129 and name HN ))
)
6.000 6.000 0.000 peak 5861 weight 0.10000E+01 volume 0.36400E+00 ppm1 8.472 ppm2 8.346
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
6.000 6.000 0.000 peak 5872 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.472 ppm2 1.042
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1149 and name HG2 ))
OR
(( segid " " and resid 1129 and name HB3 ))
OR
(( segid " " and resid 1129 and name HB2 ))
OR
(( segid " " and resid 1129 and name HB1 ))
)
6.000 6.000 0.000 peak 5871 weight 0.10000E+01 volume 0.17300E+00 ppm1 8.474 ppm2 1.381
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1131 and name HB3 ))
OR
(( segid " " and resid 1131 and name HB2 ))
OR
(( segid " " and resid 1131 and name HB1 ))
)
6.000 6.000 0.000 peak 5870 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.473 ppm2 1.588
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1151 and name HB ))
OR
(( segid " " and resid 1133 and name HB2 ))
)
5.000 5.000 0.000 peak 5869 weight 0.10000E+01 volume 0.12950E+01 ppm1 8.474 ppm2 3.739
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1133 and name HA ))
)
5.000 5.000 0.000 peak 5862 weight 0.10000E+01 volume 0.99000E+00 ppm1 8.473 ppm2 6.000
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1128 and name HD2 ))
OR
(( segid " " and resid 1128 and name HD1 ))
)
6.000 6.000 0.000 peak 4852 weight 0.10000E+01 volume 0.19600E+00 ppm1 8.472 ppm2 7.101
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)
3.300 3.300 0.000 peak 5838 weight 0.10000E+01 volume 0.17470E+01 ppm1 8.245 ppm2 0.072
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1112 and name HB2 ))
)
6.000 6.000 0.000 peak 5839 weight 0.10000E+01 volume 0.39300E+00 ppm1 8.242 ppm2 0.421
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
)
6.000 6.000 0.000 peak 5842 weight 0.10000E+01 volume 0.34800E+00 ppm1 8.244 ppm2 0.738
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1150 and name HG11))
)
5.000 5.000 0.000 peak 5843 weight 0.10000E+01 volume 0.48300E+00 ppm1 8.242 ppm2 0.827
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
6.000 6.000 0.000 peak 5841 weight 0.10000E+01 volume 0.28400E+00 ppm1 8.246 ppm2 1.030
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1149 and name HG2 ))
)
5.000 5.000 0.000 peak 5846 weight 0.10000E+01 volume 0.63200E+00 ppm1 8.245 ppm2 1.373
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
)
5.000 5.000 0.000 peak 5844 weight 0.10000E+01 volume 0.87600E+00 ppm1 8.243 ppm2 1.564
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1150 and name HB ))
OR
(( segid " " and resid 1135 and name HG2 ))
)
6.000 6.000 0.000 peak 5847 weight 0.10000E+01 volume 0.23300E+00 ppm1 8.239 ppm2 2.032
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1151 and name HA ))
OR
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
5.000 5.000 0.000 peak 5852 weight 0.10000E+01 volume 0.11460E+01 ppm1 8.243 ppm2 5.403
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1133 and name HA ))
)
2.700 2.700 0.000 peak 5853 weight 0.10000E+01 volume 0.38350E+01 ppm1 8.243 ppm2 6.000
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 5854 weight 0.10000E+01 volume 0.24500E+00 ppm1 8.242 ppm2 6.424
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)
6.000 6.000 0.000 peak 5845 weight 0.10000E+01 volume 0.32000E+00 ppm1 8.242 ppm2 1.698
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 5831 weight 0.10000E+01 volume 0.26600E+00 ppm1 8.286 ppm2 0.948
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1149 and name HG2 ))
OR
(( segid " " and resid 1120 and name HG11))
)
6.000 6.000 0.000 peak 5834 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.287 ppm2 1.383
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1134 and name HB ))
)
2.700 2.700 0.000 peak 5832 weight 0.10000E+01 volume 0.40090E+01 ppm1 8.285 ppm2 1.563
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)
3.300 3.300 0.000 peak 5833 weight 0.10000E+01 volume 0.19810E+01 ppm1 8.287 ppm2 1.721
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1135 and name HB1 ))
)
3.300 3.300 0.000 peak 5835 weight 0.10000E+01 volume 0.17690E+01 ppm1 8.286 ppm2 1.833
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1135 and name HG2 ))
)
5.000 5.000 0.000 peak 5836 weight 0.10000E+01 volume 0.59200E+00 ppm1 8.286 ppm2 2.040
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1135 and name HG1 ))
)
5.000 5.000 0.000 peak 5837 weight 0.10000E+01 volume 0.64600E+00 ppm1 8.288 ppm2 2.167
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1134 and name HA ))
)
2.700 2.700 0.000 peak 5828 weight 0.10000E+01 volume 0.66820E+01 ppm1 8.287 ppm2 4.367
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
5.000 5.000 0.000 peak 5826 weight 0.10000E+01 volume 0.15420E+01 ppm1 8.288 ppm2 5.350
ASSI (
(( segid " " and resid 1136 and name HN ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
2.700 2.700 0.000 peak 6450 weight 0.10000E+01 volume 0.53020E+01 ppm1 8.358 ppm2 5.347
ASSI (
(( segid " " and resid 1136 and name HN ))
)(
(( segid " " and resid 1150 and name HN ))
OR
(( segid " " and resid 1137 and name HN ))
)
5.000 5.000 0.000 peak 6175 weight 0.10000E+01 volume 0.50800E+00 ppm1 8.356 ppm2 8.752
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
6.000 6.000 0.000 peak 5809 weight 0.10000E+01 volume 0.14800E+00 ppm1 8.770 ppm2 5.347
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 5821 weight 0.10000E+01 volume 0.41000E+00 ppm1 8.770 ppm2 0.077
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1139 and name HN ))
OR
(( segid " " and resid 1136 and name HN ))
)
5.000 5.000 0.000 peak 5798 weight 0.10000E+01 volume 0.53800E+00 ppm1 8.769 ppm2 8.355
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
6.000 6.000 0.000 peak 5822 weight 0.10000E+01 volume 0.37800E+00 ppm1 8.769 ppm2 0.181
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
6.000 6.000 0.000 peak 5820 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.764 ppm2 0.440
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
OR
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
6.000 6.000 0.000 peak 5819 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.769 ppm2 0.569
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
OR
(( segid " " and resid 1120 and name HG12))
)
5.000 5.000 0.000 peak 5818 weight 0.10000E+01 volume 0.48000E+00 ppm1 8.770 ppm2 0.742
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
5.000 5.000 0.000 peak 5817 weight 0.10000E+01 volume 0.10270E+01 ppm1 8.771 ppm2 0.948
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1148 and name HG2 ))
OR
(( segid " " and resid 1120 and name HB ))
)
6.000 6.000 0.000 peak 5816 weight 0.10000E+01 volume 0.28200E+00 ppm1 8.769 ppm2 1.489
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1139 and name HB2 ))
OR
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1115 and name HB ))
)
6.000 6.000 0.000 peak 5815 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.768 ppm2 1.609
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1137 and name HB2 ))
)
5.000 5.000 0.000 peak 5814 weight 0.10000E+01 volume 0.11890E+01 ppm1 8.770 ppm2 1.778
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1137 and name HB1 ))
)
5.000 5.000 0.000 peak 5813 weight 0.10000E+01 volume 0.92300E+00 ppm1 8.770 ppm2 1.884
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
OR
(( segid " " and resid 1114 and name HB1 ))
)
5.000 5.000 0.000 peak 5812 weight 0.10000E+01 volume 0.12200E+01 ppm1 8.772 ppm2 2.220
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1136 and name HB2 ))
OR
(( segid " " and resid 1136 and name HB1 ))
)
3.300 3.300 0.000 peak 5811 weight 0.10000E+01 volume 0.20490E+01 ppm1 8.768 ppm2 2.429
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1118 and name HA2 ))
OR
(( segid " " and resid 1114 and name HD1 ))
)
6.000 6.000 0.000 peak 5810 weight 0.10000E+01 volume 0.20000E+00 ppm1 8.770 ppm2 3.816
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1137 and name HA ))
OR
(( segid " " and resid 1118 and name HA1 ))
)
5.000 5.000 0.000 peak 5808 weight 0.10000E+01 volume 0.14160E+01 ppm1 8.769 ppm2 4.516
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1136 and name HA ))
)
2.700 2.700 0.000 peak 5806 weight 0.10000E+01 volume 0.38080E+01 ppm1 8.769 ppm2 4.972
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
5.000 5.000 0.000 peak 5804 weight 0.10000E+01 volume 0.86000E+00 ppm1 8.771 ppm2 6.578
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1135 and name HN ))
OR
(( segid " " and resid 1121 and name HN ))
)
5.000 5.000 0.000 peak 5797 weight 0.10000E+01 volume 0.43000E+00 ppm1 8.770 ppm2 8.257
ASSI (
(( segid " " and resid 1137 and name HE21))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 8785 weight 0.10000E+01 volume 0.30200E+00 ppm1 7.406 ppm2 0.956
ASSI (
(( segid " " and resid 1137 and name HE21))
)(
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
)
3.300 3.300 0.000 peak 8789 weight 0.10000E+01 volume 0.17820E+01 ppm1 7.406 ppm2 2.199
ASSI (
(( segid " " and resid 1137 and name HE22))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
6.000 6.000 0.000 peak 8784 weight 0.10000E+01 volume 0.28400E+00 ppm1 6.705 ppm2 0.945
ASSI (
(( segid " " and resid 1137 and name HE22))
)(
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
)
5.000 5.000 0.000 peak 8783 weight 0.10000E+01 volume 0.83200E+00 ppm1 6.705 ppm2 2.196
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1142 and name HB1 ))
)
6.000 6.000 0.000 peak 5787 weight 0.10000E+01 volume 0.26100E+00 ppm1 8.867 ppm2 3.409
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1118 and name HA2 ))
OR
(( segid " " and resid 1117 and name HA ))
)
6.000 6.000 0.000 peak 5786 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.864 ppm2 3.807
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 5795 weight 0.10000E+01 volume 0.12730E+01 ppm1 8.864 ppm2 0.742
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
5.000 5.000 0.000 peak 5794 weight 0.10000E+01 volume 0.56200E+00 ppm1 8.864 ppm2 1.596
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1137 and name HB2 ))
)
5.000 5.000 0.000 peak 5793 weight 0.10000E+01 volume 0.10230E+01 ppm1 8.865 ppm2 1.773
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1137 and name HB1 ))
)
5.000 5.000 0.000 peak 5792 weight 0.10000E+01 volume 0.14840E+01 ppm1 8.863 ppm2 1.891
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1137 and name HG2 ))
OR
(( segid " " and resid 1137 and name HG1 ))
)
5.000 5.000 0.000 peak 5790 weight 0.10000E+01 volume 0.10820E+01 ppm1 8.865 ppm2 2.200
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1138 and name HB2 ))
)
3.300 3.300 0.000 peak 5789 weight 0.10000E+01 volume 0.19740E+01 ppm1 8.864 ppm2 2.532
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1138 and name HB1 ))
)
5.000 5.000 0.000 peak 5788 weight 0.10000E+01 volume 0.78800E+00 ppm1 8.868 ppm2 2.956
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1138 and name HA ))
)
5.000 5.000 0.000 peak 5784 weight 0.10000E+01 volume 0.90000E+00 ppm1 8.865 ppm2 5.121
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1140 and name HB2 ))
OR
(( segid " " and resid 1119 and name HB1 ))
)
6.000 6.000 0.000 peak 5776 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.340 ppm2 2.644
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
6.000 6.000 0.000 peak 5781 weight 0.10000E+01 volume 0.15400E+00 ppm1 8.346 ppm2 0.172
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1139 and name HB2 ))
)
3.300 3.300 0.000 peak 5780 weight 0.10000E+01 volume 0.22210E+01 ppm1 8.344 ppm2 1.598
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1139 and name HB1 ))
)
5.000 5.000 0.000 peak 5779 weight 0.10000E+01 volume 0.12170E+01 ppm1 8.343 ppm2 1.906
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1139 and name HG2 ))
OR
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 5778 weight 0.10000E+01 volume 0.10910E+01 ppm1 8.343 ppm2 2.147
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1142 and name HB2 ))
OR
(( segid " " and resid 1139 and name HG1 ))
)
5.000 5.000 0.000 peak 5777 weight 0.10000E+01 volume 0.11060E+01 ppm1 8.343 ppm2 2.269
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
5.000 5.000 0.000 peak 5774 weight 0.10000E+01 volume 0.92600E+00 ppm1 8.344 ppm2 2.529
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1138 and name HB1 ))
)
5.000 5.000 0.000 peak 5773 weight 0.10000E+01 volume 0.75300E+00 ppm1 8.343 ppm2 2.954
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1142 and name HB1 ))
)
6.000 6.000 0.000 peak 5772 weight 0.10000E+01 volume 0.34500E+00 ppm1 8.345 ppm2 3.425
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1118 and name HA2 ))
OR
(( segid " " and resid 1117 and name HA ))
)
5.000 5.000 0.000 peak 5771 weight 0.10000E+01 volume 0.94800E+00 ppm1 8.344 ppm2 3.827
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1137 and name HA ))
OR
(( segid " " and resid 1118 and name HA1 ))
)
5.000 5.000 0.000 peak 5769 weight 0.10000E+01 volume 0.10590E+01 ppm1 8.343 ppm2 4.527
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1138 and name HA ))
)
3.300 3.300 0.000 peak 5767 weight 0.10000E+01 volume 0.30140E+01 ppm1 8.342 ppm2 5.121
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1137 and name HN ))
OR
(( segid " " and resid 1115 and name HN ))
)
6.000 6.000 0.000 peak 5823 weight 0.10000E+01 volume 0.12300E+00 ppm1 8.340 ppm2 8.726
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1163 and name HB1 ))
OR
(( segid " " and resid 1140 and name HB1 ))
)
6.000 6.000 0.000 peak 5775 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.337 ppm2 2.798
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1144 and name HN ))
OR
(( segid " " and resid 1119 and name HN ))
)
5.000 5.000 0.000 peak 5824 weight 0.10000E+01 volume 0.57300E+00 ppm1 8.343 ppm2 8.559
ASSI (
(( segid " " and resid 1139 and name HE21))
)(
(( segid " " and resid 1139 and name HB2 ))
)
6.000 6.000 0.000 peak 8773 weight 0.10000E+01 volume 0.18500E+00 ppm1 7.385 ppm2 1.608
ASSI (
(( segid " " and resid 1139 and name HE21))
)(
(( segid " " and resid 1139 and name HB1 ))
)
6.000 6.000 0.000 peak 8772 weight 0.10000E+01 volume 0.24700E+00 ppm1 7.385 ppm2 1.911
ASSI (
(( segid " " and resid 1139 and name HE21))
)(
(( segid " " and resid 1139 and name HG2 ))
OR
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 8764 weight 0.10000E+01 volume 0.12850E+01 ppm1 7.386 ppm2 2.150
ASSI (
(( segid " " and resid 1139 and name HE21))
)(
(( segid " " and resid 1139 and name HG1 ))
)
5.000 5.000 0.000 peak 8763 weight 0.10000E+01 volume 0.11090E+01 ppm1 7.384 ppm2 2.269
ASSI (
(( segid " " and resid 1139 and name HE21))
)(
(( segid " " and resid 1117 and name HA ))
)
6.000 6.000 0.000 peak 8771 weight 0.10000E+01 volume 0.29500E+00 ppm1 7.385 ppm2 3.772
ASSI (
(( segid " " and resid 1139 and name HE22))
)(
(( segid " " and resid 1139 and name HB2 ))
)
6.000 6.000 0.000 peak 8774 weight 0.10000E+01 volume 0.16000E+00 ppm1 6.674 ppm2 1.617
ASSI (
(( segid " " and resid 1139 and name HE22))
)(
(( segid " " and resid 1139 and name HG2 ))
OR
(( segid " " and resid 1117 and name HB1 ))
)
5.000 5.000 0.000 peak 8765 weight 0.10000E+01 volume 0.94700E+00 ppm1 6.672 ppm2 2.149
ASSI (
(( segid " " and resid 1139 and name HE22))
)(
(( segid " " and resid 1139 and name HG1 ))
)
5.000 5.000 0.000 peak 8766 weight 0.10000E+01 volume 0.71700E+00 ppm1 6.673 ppm2 2.264
ASSI (
(( segid " " and resid 1139 and name HE22))
)(
(( segid " " and resid 1117 and name HA ))
)
6.000 6.000 0.000 peak 8776 weight 0.10000E+01 volume 0.33700E+00 ppm1 6.672 ppm2 3.770
ASSI (
(( segid " " and resid 1140 and name HN ))
)(
(( segid " " and resid 1139 and name HB2 ))
)
5.000 5.000 0.000 peak 5744 weight 0.10000E+01 volume 0.12700E+01 ppm1 8.458 ppm2 1.600
ASSI (
(( segid " " and resid 1140 and name HD22))
)(
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
5.000 5.000 0.000 peak 8817 weight 0.10000E+01 volume 0.51500E+00 ppm1 6.945 ppm2 0.405
ASSI (
(( segid " " and resid 1140 and name HD22))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
5.000 5.000 0.000 peak 8816 weight 0.10000E+01 volume 0.73100E+00 ppm1 6.945 ppm2 0.615
ASSI (
(( segid " " and resid 1140 and name HD22))
)(
(( segid " " and resid 1141 and name HG ))
)
5.000 5.000 0.000 peak 8811 weight 0.10000E+01 volume 0.77100E+00 ppm1 6.946 ppm2 1.400
ASSI (
(( segid " " and resid 1140 and name HD22))
)(
(( segid " " and resid 1140 and name HB2 ))
)
3.300 3.300 0.000 peak 8805 weight 0.10000E+01 volume 0.17330E+01 ppm1 6.948 ppm2 2.655
ASSI (
(( segid " " and resid 1140 and name HD22))
)(
(( segid " " and resid 1140 and name HB1 ))
)
5.000 5.000 0.000 peak 8804 weight 0.10000E+01 volume 0.81300E+00 ppm1 6.946 ppm2 2.799
ASSI (
(( segid " " and resid 1140 and name HD22))
)(
(( segid " " and resid 1140 and name HA ))
)
6.000 6.000 0.000 peak 8803 weight 0.10000E+01 volume 0.16800E+00 ppm1 6.948 ppm2 4.363
ASSI (
(( segid " " and resid 1140 and name HD22))
)(
(( segid " " and resid 1142 and name HN ))
OR
(( segid " " and resid 1140 and name HN ))
)
6.000 6.000 0.000 peak 8800 weight 0.10000E+01 volume 0.20000E+00 ppm1 6.942 ppm2 8.456
ASSI (
(( segid " " and resid 1141 and name HN ))
)(
(( segid " " and resid 1141 and name HB2 ))
)
5.000 5.000 0.000 peak 5760 weight 0.10000E+01 volume 0.91000E+00 ppm1 8.279 ppm2 1.168
ASSI (
(( segid " " and resid 1141 and name HN ))
)(
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
5.000 5.000 0.000 peak 5762 weight 0.10000E+01 volume 0.50400E+00 ppm1 8.278 ppm2 0.413
ASSI (
(( segid " " and resid 1141 and name HN ))
)(
(( segid " " and resid 1141 and name HG ))
)
5.000 5.000 0.000 peak 5759 weight 0.10000E+01 volume 0.11100E+01 ppm1 8.278 ppm2 1.399
ASSI (
(( segid " " and resid 1141 and name HN ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
OR
(( segid " " and resid 1139 and name HB2 ))
)
6.000 6.000 0.000 peak 5758 weight 0.10000E+01 volume 0.25300E+00 ppm1 8.278 ppm2 1.631
ASSI (
(( segid " " and resid 1141 and name HN ))
)(
(( segid " " and resid 1141 and name HB1 ))
)
5.000 5.000 0.000 peak 5757 weight 0.10000E+01 volume 0.60100E+00 ppm1 8.278 ppm2 2.063
ASSI (
(( segid " " and resid 1141 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
OR
(( segid " " and resid 1139 and name HE22))
OR
(( segid " " and resid 1137 and name HE22))
)
6.000 6.000 0.000 peak 5751 weight 0.10000E+01 volume 0.30500E+00 ppm1 8.278 ppm2 6.661
ASSI (
(( segid " " and resid 1141 and name HN ))
)(
(( segid " " and resid 1142 and name HN ))
OR
(( segid " " and resid 1140 and name HN ))
)
3.300 3.300 0.000 peak 5469 weight 0.10000E+01 volume 0.19190E+01 ppm1 8.279 ppm2 8.444
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
6.000 6.000 0.000 peak 5742 weight 0.10000E+01 volume 0.29100E+00 ppm1 8.430 ppm2 0.398
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
5.000 5.000 0.000 peak 5741 weight 0.10000E+01 volume 0.54600E+00 ppm1 8.430 ppm2 0.610
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1141 and name HB2 ))
)
5.000 5.000 0.000 peak 5740 weight 0.10000E+01 volume 0.48400E+00 ppm1 8.429 ppm2 1.173
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1166 and name HG2 ))
OR
(( segid " " and resid 1141 and name HG ))
)
5.000 5.000 0.000 peak 5739 weight 0.10000E+01 volume 0.46400E+00 ppm1 8.431 ppm2 1.392
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
5.000 5.000 0.000 peak 5738 weight 0.10000E+01 volume 0.11210E+01 ppm1 8.430 ppm2 2.522
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1166 and name HD1 ))
OR
(( segid " " and resid 1138 and name HB1 ))
)
5.000 5.000 0.000 peak 5737 weight 0.10000E+01 volume 0.71100E+00 ppm1 8.430 ppm2 2.942
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1141 and name HA ))
)
5.000 5.000 0.000 peak 5733 weight 0.10000E+01 volume 0.10290E+01 ppm1 8.430 ppm2 3.673
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
3.300 3.300 0.000 peak 5735 weight 0.10000E+01 volume 0.31340E+01 ppm1 8.427 ppm2 6.653
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 6213 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.868 ppm2 0.395
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD21))
)
5.000 5.000 0.000 peak 6212 weight 0.10000E+01 volume 0.48900E+00 ppm1 7.870 ppm2 0.630
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
5.000 5.000 0.000 peak 6211 weight 0.10000E+01 volume 0.15660E+01 ppm1 7.872 ppm2 1.651
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1143 and name HB1 ))
)
5.000 5.000 0.000 peak 6210 weight 0.10000E+01 volume 0.11300E+01 ppm1 7.870 ppm2 1.804
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 6209 weight 0.10000E+01 volume 0.83000E+00 ppm1 7.870 ppm2 2.156
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1142 and name HB2 ))
)
5.000 5.000 0.000 peak 6208 weight 0.10000E+01 volume 0.84100E+00 ppm1 7.874 ppm2 2.243
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
6.000 6.000 0.000 peak 6207 weight 0.10000E+01 volume 0.35800E+00 ppm1 7.870 ppm2 2.502
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1166 and name HD1 ))
OR
(( segid " " and resid 1138 and name HB1 ))
)
6.000 6.000 0.000 peak 6206 weight 0.10000E+01 volume 0.27500E+00 ppm1 7.870 ppm2 2.940
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1142 and name HB1 ))
)
5.000 5.000 0.000 peak 6205 weight 0.10000E+01 volume 0.42300E+00 ppm1 7.870 ppm2 3.411
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1193 and name HB ))
)
6.000 6.000 0.000 peak 6204 weight 0.10000E+01 volume 0.30700E+00 ppm1 7.870 ppm2 3.555
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1163 and name HA ))
)
5.000 5.000 0.000 peak 6201 weight 0.10000E+01 volume 0.46100E+00 ppm1 7.871 ppm2 5.033
ASSI (
(( segid " " and resid 1143 and name HE21))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 8756 weight 0.10000E+01 volume 0.91000E-01 ppm1 7.450 ppm2 0.383
ASSI (
(( segid " " and resid 1143 and name HE21))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
6.000 6.000 0.000 peak 8755 weight 0.10000E+01 volume 0.11300E+00 ppm1 7.450 ppm2 0.584
ASSI (
(( segid " " and resid 1143 and name HE21))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
6.000 6.000 0.000 peak 8754 weight 0.10000E+01 volume 0.39500E+00 ppm1 7.450 ppm2 1.597
ASSI (
(( segid " " and resid 1143 and name HE21))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
6.000 6.000 0.000 peak 8753 weight 0.10000E+01 volume 0.36300E+00 ppm1 7.451 ppm2 1.661
ASSI (
(( segid " " and resid 1143 and name HE21))
)(
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
6.000 6.000 0.000 peak 8752 weight 0.10000E+01 volume 0.17400E+00 ppm1 7.450 ppm2 1.805
ASSI (
(( segid " " and resid 1143 and name HE21))
)(
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
6.000 6.000 0.000 peak 8744 weight 0.10000E+01 volume 0.10600E+00 ppm1 7.450 ppm2 3.110
ASSI (
(( segid " " and resid 1143 and name HE22))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 8757 weight 0.10000E+01 volume 0.10900E+00 ppm1 6.741 ppm2 0.400
ASSI (
(( segid " " and resid 1143 and name HE22))
)(
(( segid " " and resid 1164 and name HG ))
OR
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
6.000 6.000 0.000 peak 8758 weight 0.10000E+01 volume 0.10900E+00 ppm1 6.741 ppm2 0.598
ASSI (
(( segid " " and resid 1143 and name HE22))
)(
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
6.000 6.000 0.000 peak 8750 weight 0.10000E+01 volume 0.30300E+00 ppm1 6.746 ppm2 1.574
ASSI (
(( segid " " and resid 1143 and name HE22))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
6.000 6.000 0.000 peak 8748 weight 0.10000E+01 volume 0.34400E+00 ppm1 6.747 ppm2 1.665
ASSI (
(( segid " " and resid 1143 and name HE22))
)(
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
6.000 6.000 0.000 peak 8749 weight 0.10000E+01 volume 0.15200E+00 ppm1 6.744 ppm2 1.803
ASSI (
(( segid " " and resid 1143 and name HE22))
)(
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 8747 weight 0.10000E+01 volume 0.11120E+01 ppm1 6.746 ppm2 2.159
ASSI (
(( segid " " and resid 1143 and name HE22))
)(
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
6.000 6.000 0.000 peak 8745 weight 0.10000E+01 volume 0.12300E+00 ppm1 6.747 ppm2 3.110
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1143 and name HE21))
)
6.000 6.000 0.000 peak 6185 weight 0.10000E+01 volume 0.13500E+00 ppm1 8.571 ppm2 7.430
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
OR
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
6.000 6.000 0.000 peak 6197 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.563 ppm2 0.395
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 6196 weight 0.10000E+01 volume 0.85700E+00 ppm1 8.564 ppm2 0.561
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1144 and name HG ))
)
5.000 5.000 0.000 peak 6194 weight 0.10000E+01 volume 0.69500E+00 ppm1 8.563 ppm2 1.313
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1144 and name HB2 ))
)
2.700 2.700 0.000 peak 6193 weight 0.10000E+01 volume 0.45110E+01 ppm1 8.564 ppm2 1.564
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
3.300 3.300 0.000 peak 6192 weight 0.10000E+01 volume 0.31140E+01 ppm1 8.563 ppm2 1.638
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
OR
(( segid " " and resid 1137 and name HB2 ))
)
5.000 5.000 0.000 peak 6191 weight 0.10000E+01 volume 0.97100E+00 ppm1 8.561 ppm2 1.800
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1148 and name HB1 ))
OR
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 6190 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.563 ppm2 2.155
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
6.000 6.000 0.000 peak 6189 weight 0.10000E+01 volume 0.22500E+00 ppm1 8.563 ppm2 2.540
ASSI (
(( segid " " and resid 1144 and name HN ))
)(
(( segid " " and resid 1143 and name HE22))
)
6.000 6.000 0.000 peak 6187 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.571 ppm2 6.740
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 5730 weight 0.10000E+01 volume 0.89300E+00 ppm1 9.404 ppm2 0.747
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1144 and name HG ))
)
3.300 3.300 0.000 peak 5728 weight 0.10000E+01 volume 0.22100E+01 ppm1 9.403 ppm2 1.319
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1162 and name HB2 ))
OR
(( segid " " and resid 1161 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1115 and name HB ))
)
5.000 5.000 0.000 peak 5727 weight 0.10000E+01 volume 0.14400E+01 ppm1 9.402 ppm2 1.540
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1144 and name HB2 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
3.300 3.300 0.000 peak 5726 weight 0.10000E+01 volume 0.21920E+01 ppm1 9.403 ppm2 1.622
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1145 and name HB2 ))
)
3.300 3.300 0.000 peak 5725 weight 0.10000E+01 volume 0.19410E+01 ppm1 9.402 ppm2 1.777
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1145 and name HB1 ))
)
5.000 5.000 0.000 peak 5724 weight 0.10000E+01 volume 0.16780E+01 ppm1 9.401 ppm2 1.953
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
OR
(( segid " " and resid 1142 and name HB2 ))
)
5.000 5.000 0.000 peak 5723 weight 0.10000E+01 volume 0.10220E+01 ppm1 9.403 ppm2 2.245
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 5717 weight 0.10000E+01 volume 0.10320E+01 ppm1 8.528 ppm2 0.572
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1145 and name HB2 ))
)
5.000 5.000 0.000 peak 5716 weight 0.10000E+01 volume 0.10000E+01 ppm1 8.528 ppm2 1.766
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1145 and name HB1 ))
)
5.000 5.000 0.000 peak 5715 weight 0.10000E+01 volume 0.81100E+00 ppm1 8.528 ppm2 1.949
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)
3.300 3.300 0.000 peak 5714 weight 0.10000E+01 volume 0.27130E+01 ppm1 8.526 ppm2 2.251
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1146 and name HA2 ))
)
2.700 2.700 0.000 peak 5713 weight 0.10000E+01 volume 0.41340E+01 ppm1 8.524 ppm2 3.607
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1146 and name HA1 ))
)
3.300 3.300 0.000 peak 5711 weight 0.10000E+01 volume 0.27450E+01 ppm1 8.524 ppm2 4.433
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1162 and name HN ))
)
6.000 6.000 0.000 peak 5710 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.527 ppm2 8.041
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1147 and name HN ))
)
5.000 5.000 0.000 peak 5709 weight 0.10000E+01 volume 0.11850E+01 ppm1 8.526 ppm2 8.346
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1145 and name HN ))
)
5.000 5.000 0.000 peak 5294 weight 0.10000E+01 volume 0.61000E+00 ppm1 8.527 ppm2 9.407
ASSI (
(( segid " " and resid 1147 and name HD22))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
)
6.000 6.000 0.000 peak 8935 weight 0.10000E+01 volume 0.16800E+00 ppm1 6.897 ppm2 0.744
ASSI (
(( segid " " and resid 1147 and name HD22))
)(
(( segid " " and resid 1150 and name HB ))
)
6.000 6.000 0.000 peak 8934 weight 0.10000E+01 volume 0.17000E+00 ppm1 6.897 ppm2 2.025
ASSI (
(( segid " " and resid 1147 and name HD22))
)(
(( segid " " and resid 1147 and name HB2 ))
)
5.000 5.000 0.000 peak 8931 weight 0.10000E+01 volume 0.12760E+01 ppm1 6.895 ppm2 2.736
ASSI (
(( segid " " and resid 1147 and name HD22))
)(
(( segid " " and resid 1147 and name HB1 ))
)
5.000 5.000 0.000 peak 8930 weight 0.10000E+01 volume 0.65600E+00 ppm1 6.898 ppm2 2.922
ASSI (
(( segid " " and resid 1147 and name HD22))
)(
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1158 and name HB1 ))
OR
(( segid " " and resid 1146 and name HA1 ))
)
6.000 6.000 0.000 peak 8937 weight 0.10000E+01 volume 0.12400E+00 ppm1 6.893 ppm2 4.405
ASSI (
(( segid " " and resid 1147 and name HD22))
)(
(( segid " " and resid 1147 and name HA ))
)
6.000 6.000 0.000 peak 8929 weight 0.10000E+01 volume 0.19100E+00 ppm1 6.893 ppm2 4.526
ASSI (
(( segid " " and resid 1147 and name HD22))
)(
(( segid " " and resid 1147 and name HN ))
)
6.000 6.000 0.000 peak 8928 weight 0.10000E+01 volume 0.22100E+00 ppm1 6.891 ppm2 8.342
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 5708 weight 0.10000E+01 volume 0.13230E+01 ppm1 8.146 ppm2 0.562
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 5707 weight 0.10000E+01 volume 0.51600E+00 ppm1 8.146 ppm2 0.731
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1148 and name HG1 ))
)
3.300 3.300 0.000 peak 5705 weight 0.10000E+01 volume 0.26350E+01 ppm1 8.146 ppm2 1.571
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
)
5.000 5.000 0.000 peak 5704 weight 0.10000E+01 volume 0.10190E+01 ppm1 8.147 ppm2 1.719
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)
3.300 3.300 0.000 peak 5703 weight 0.10000E+01 volume 0.25350E+01 ppm1 8.146 ppm2 1.807
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1148 and name HB1 ))
)
3.300 3.300 0.000 peak 5701 weight 0.10000E+01 volume 0.20450E+01 ppm1 8.146 ppm2 2.094
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1147 and name HB1 ))
)
5.000 5.000 0.000 peak 5699 weight 0.10000E+01 volume 0.13640E+01 ppm1 8.147 ppm2 2.913
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1148 and name HA ))
)
3.300 3.300 0.000 peak 5697 weight 0.10000E+01 volume 0.18490E+01 ppm1 8.144 ppm2 3.951
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
6.000 6.000 0.000 peak 5694 weight 0.10000E+01 volume 0.26300E+00 ppm1 8.144 ppm2 5.368
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 5693 weight 0.10000E+01 volume 0.47400E+00 ppm1 7.719 ppm2 0.559
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 5692 weight 0.10000E+01 volume 0.45000E+00 ppm1 7.718 ppm2 0.734
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1149 and name HG2 ))
OR
(( segid " " and resid 1144 and name HG ))
)
5.000 5.000 0.000 peak 5691 weight 0.10000E+01 volume 0.72300E+00 ppm1 7.718 ppm2 1.363
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1149 and name HB2 ))
OR
(( segid " " and resid 1148 and name HG1 ))
)
2.700 2.700 0.000 peak 5689 weight 0.10000E+01 volume 0.51390E+01 ppm1 7.718 ppm2 1.581
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
)
3.300 3.300 0.000 peak 5687 weight 0.10000E+01 volume 0.19500E+01 ppm1 7.718 ppm2 1.808
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1147 and name HB2 ))
)
5.000 5.000 0.000 peak 5684 weight 0.10000E+01 volume 0.76100E+00 ppm1 7.719 ppm2 2.731
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1147 and name HB1 ))
)
3.300 3.300 0.000 peak 5683 weight 0.10000E+01 volume 0.18760E+01 ppm1 7.717 ppm2 2.915
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
5.000 5.000 0.000 peak 5682 weight 0.10000E+01 volume 0.86100E+00 ppm1 7.719 ppm2 3.124
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1147 and name HA ))
)
3.300 3.300 0.000 peak 5680 weight 0.10000E+01 volume 0.19090E+01 ppm1 7.715 ppm2 4.540
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
3.300 3.300 0.000 peak 5679 weight 0.10000E+01 volume 0.19840E+01 ppm1 7.715 ppm2 5.379
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1148 and name HN ))
)
2.700 2.700 0.000 peak 5677 weight 0.10000E+01 volume 0.56180E+01 ppm1 7.715 ppm2 8.145
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1147 and name HN ))
OR
(( segid " " and resid 1136 and name HN ))
)
6.000 6.000 0.000 peak 5676 weight 0.10000E+01 volume 0.36100E+00 ppm1 7.718 ppm2 8.346
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1152 and name HN ))
OR
(( segid " " and resid 1151 and name HN ))
OR
(( segid " " and resid 1136 and name HN ))
)
5.000 5.000 0.000 peak 5652 weight 0.10000E+01 volume 0.52000E+00 ppm1 8.718 ppm2 8.369
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 5675 weight 0.10000E+01 volume 0.68900E+00 ppm1 8.720 ppm2 0.077
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
5.000 5.000 0.000 peak 5674 weight 0.10000E+01 volume 0.58900E+00 ppm1 8.722 ppm2 0.418
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
OR
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
6.000 6.000 0.000 peak 5673 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.722 ppm2 0.574
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
)
5.000 5.000 0.000 peak 5671 weight 0.10000E+01 volume 0.11840E+01 ppm1 8.721 ppm2 0.741
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1150 and name HG11))
)
5.000 5.000 0.000 peak 5672 weight 0.10000E+01 volume 0.80000E+00 ppm1 8.722 ppm2 0.838
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1149 and name HG2 ))
)
5.000 5.000 0.000 peak 5670 weight 0.10000E+01 volume 0.11200E+01 ppm1 8.720 ppm2 1.379
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1148 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
)
5.000 5.000 0.000 peak 5669 weight 0.10000E+01 volume 0.16300E+01 ppm1 8.724 ppm2 1.569
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1149 and name HB1 ))
OR
(( segid " " and resid 1135 and name HB2 ))
)
5.000 5.000 0.000 peak 5668 weight 0.10000E+01 volume 0.78000E+00 ppm1 8.722 ppm2 1.695
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HD2 ))
OR
(( segid " " and resid 1148 and name HD1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1135 and name HB1 ))
)
6.000 6.000 0.000 peak 5667 weight 0.10000E+01 volume 0.22600E+00 ppm1 8.722 ppm2 1.815
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1150 and name HB ))
OR
(( segid " " and resid 1135 and name HG2 ))
)
5.000 5.000 0.000 peak 5666 weight 0.10000E+01 volume 0.42300E+00 ppm1 8.721 ppm2 2.034
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1149 and name HD2 ))
OR
(( segid " " and resid 1149 and name HD1 ))
)
6.000 6.000 0.000 peak 5665 weight 0.10000E+01 volume 0.18600E+00 ppm1 8.722 ppm2 3.128
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1133 and name HB2 ))
OR
(( segid " " and resid 1133 and name HB1 ))
)
6.000 6.000 0.000 peak 5664 weight 0.10000E+01 volume 0.17900E+00 ppm1 8.719 ppm2 3.784
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1158 and name HB1 ))
OR
(( segid " " and resid 1134 and name HA ))
)
6.000 6.000 0.000 peak 5663 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.720 ppm2 4.341
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1149 and name HA ))
OR
(( segid " " and resid 1135 and name HA ))
)
2.700 2.700 0.000 peak 5661 weight 0.10000E+01 volume 0.39450E+01 ppm1 8.720 ppm2 5.351
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1136 and name HD2 ))
OR
(( segid " " and resid 1136 and name HD1 ))
)
6.000 6.000 0.000 peak 5657 weight 0.10000E+01 volume 0.16800E+00 ppm1 8.719 ppm2 6.594
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1158 and name HB2 ))
OR
(( segid " " and resid 1132 and name HB1 ))
)
5.000 5.000 0.000 peak 5643 weight 0.10000E+01 volume 0.44100E+00 ppm1 8.420 ppm2 4.176
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1159 and name HA ))
OR
(( segid " " and resid 1158 and name HB1 ))
OR
(( segid " " and resid 1134 and name HA ))
)
6.000 6.000 0.000 peak 5641 weight 0.10000E+01 volume 0.31200E+00 ppm1 8.417 ppm2 4.367
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1158 and name HA ))
OR
(( segid " " and resid 1153 and name HA ))
)
6.000 6.000 0.000 peak 5642 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.416 ppm2 4.485
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1157 and name HA ))
)
6.000 6.000 0.000 peak 5639 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.414 ppm2 5.013
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1153 and name HN ))
OR
(( segid " " and resid 1150 and name HN ))
)
6.000 6.000 0.000 peak 5634 weight 0.10000E+01 volume 0.19100E+00 ppm1 8.414 ppm2 8.725
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
)
6.000 6.000 0.000 peak 5651 weight 0.10000E+01 volume 0.39700E+00 ppm1 8.417 ppm2 0.423
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
5.000 5.000 0.000 peak 5649 weight 0.10000E+01 volume 0.70600E+00 ppm1 8.416 ppm2 1.032
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1149 and name HG2 ))
)
6.000 6.000 0.000 peak 5648 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.421 ppm2 1.395
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1153 and name HG1 ))
OR
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 5647 weight 0.10000E+01 volume 0.15300E+00 ppm1 8.417 ppm2 1.546
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1157 and name HB1 ))
)
6.000 6.000 0.000 peak 5645 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.416 ppm2 3.451
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1151 and name HA ))
)
5.000 5.000 0.000 peak 5638 weight 0.10000E+01 volume 0.59900E+00 ppm1 8.418 ppm2 5.414
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1133 and name HA ))
)
6.000 6.000 0.000 peak 5637 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.415 ppm2 6.018
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1158 and name HA ))
OR
(( segid " " and resid 1153 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
6.000 6.000 0.000 peak 5622 weight 0.10000E+01 volume 0.12900E+00 ppm1 8.329 ppm2 4.502
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1157 and name HA ))
)
6.000 6.000 0.000 peak 5620 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.327 ppm2 5.020
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1151 and name HA ))
)
2.700 2.700 0.000 peak 5619 weight 0.10000E+01 volume 0.36200E+01 ppm1 8.331 ppm2 5.414
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1157 and name HH2 ))
)
5.000 5.000 0.000 peak 5616 weight 0.10000E+01 volume 0.70200E+00 ppm1 8.329 ppm2 6.730
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1152 and name HA ))
)
5.000 5.000 0.000 peak 5623 weight 0.10000E+01 volume 0.11380E+01 ppm1 8.329 ppm2 3.936
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1133 and name HB2 ))
OR
(( segid " " and resid 1133 and name HB1 ))
OR
(( segid " " and resid 1131 and name HA ))
)
5.000 5.000 0.000 peak 5624 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.333 ppm2 3.787
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)
6.000 6.000 0.000 peak 5633 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.326 ppm2 0.067
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
)
6.000 6.000 0.000 peak 5632 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.327 ppm2 0.796
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
3.300 3.300 0.000 peak 5630 weight 0.10000E+01 volume 0.19920E+01 ppm1 8.328 ppm2 1.031
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1153 and name HG1 ))
OR
(( segid " " and resid 1149 and name HG1 ))
OR
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1131 and name HB3 ))
OR
(( segid " " and resid 1131 and name HB2 ))
OR
(( segid " " and resid 1131 and name HB1 ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 5628 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.327 ppm2 1.576
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1150 and name HB ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 5629 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.326 ppm2 2.012
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1151 and name HB ))
)
5.000 5.000 0.000 peak 5625 weight 0.10000E+01 volume 0.57300E+00 ppm1 8.326 ppm2 3.689
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1158 and name HB2 ))
OR
(( segid " " and resid 1132 and name HB1 ))
)
6.000 6.000 0.000 peak 5626 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.323 ppm2 4.182
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1152 and name HB2 ))
)
5.000 5.000 0.000 peak 5611 weight 0.10000E+01 volume 0.42100E+00 ppm1 8.715 ppm2 0.910
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
6.000 6.000 0.000 peak 5610 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.715 ppm2 1.034
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1153 and name HG2 ))
)
5.000 5.000 0.000 peak 5609 weight 0.10000E+01 volume 0.77400E+00 ppm1 8.715 ppm2 1.483
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1153 and name HG2 ))
OR
(( segid " " and resid 1153 and name HG1 ))
)
5.000 5.000 0.000 peak 5608 weight 0.10000E+01 volume 0.86800E+00 ppm1 8.715 ppm2 1.530
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)
3.300 3.300 0.000 peak 5607 weight 0.10000E+01 volume 0.26400E+01 ppm1 8.715 ppm2 1.703
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1156 and name HB2 ))
)
5.000 5.000 0.000 peak 5606 weight 0.10000E+01 volume 0.44000E+00 ppm1 8.714 ppm2 1.846
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1156 and name HB1 ))
OR
(( segid " " and resid 1150 and name HB ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 5605 weight 0.10000E+01 volume 0.18300E+00 ppm1 8.716 ppm2 2.057
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
OR
(( segid " " and resid 1152 and name HB1 ))
)
5.000 5.000 0.000 peak 5604 weight 0.10000E+01 volume 0.56800E+00 ppm1 8.715 ppm2 2.299
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1113 and name HD2 ))
)
6.000 6.000 0.000 peak 5603 weight 0.10000E+01 volume 0.14800E+00 ppm1 8.715 ppm2 2.944
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1153 and name HD2 ))
OR
(( segid " " and resid 1153 and name HD1 ))
)
6.000 6.000 0.000 peak 5601 weight 0.10000E+01 volume 0.38500E+00 ppm1 8.716 ppm2 3.157
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1155 and name HA2 ))
OR
(( segid " " and resid 1112 and name HA ))
)
6.000 6.000 0.000 peak 5602 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.715 ppm2 3.301
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1152 and name HA ))
)
2.700 2.700 0.000 peak 5600 weight 0.10000E+01 volume 0.47800E+01 ppm1 8.715 ppm2 3.924
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1158 and name HB2 ))
OR
(( segid " " and resid 1154 and name HA ))
OR
(( segid " " and resid 1132 and name HB1 ))
OR
(( segid " " and resid 1108 and name HA ))
)
6.000 6.000 0.000 peak 5599 weight 0.10000E+01 volume 0.21200E+00 ppm1 8.713 ppm2 4.231
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1153 and name HA ))
)
3.300 3.300 0.000 peak 5597 weight 0.10000E+01 volume 0.17470E+01 ppm1 8.715 ppm2 4.499
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1153 and name HG2 ))
OR
(( segid " " and resid 1153 and name HG1 ))
)
5.000 5.000 0.000 peak 5591 weight 0.10000E+01 volume 0.11250E+01 ppm1 9.185 ppm2 1.501
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1156 and name HB2 ))
OR
(( segid " " and resid 1130 and name HB2 ))
)
5.000 5.000 0.000 peak 5589 weight 0.10000E+01 volume 0.56000E+00 ppm1 9.187 ppm2 1.869
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1130 and name HB1 ))
)
5.000 5.000 0.000 peak 5588 weight 0.10000E+01 volume 0.43400E+00 ppm1 9.186 ppm2 2.274
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1154 and name HB2 ))
)
5.000 5.000 0.000 peak 5587 weight 0.10000E+01 volume 0.13800E+01 ppm1 9.186 ppm2 2.674
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1154 and name HB1 ))
)
5.000 5.000 0.000 peak 5586 weight 0.10000E+01 volume 0.12630E+01 ppm1 9.185 ppm2 3.000
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1153 and name HD2 ))
)
6.000 6.000 0.000 peak 5584 weight 0.10000E+01 volume 0.25800E+00 ppm1 9.185 ppm2 3.134
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1155 and name HA2 ))
)
6.000 6.000 0.000 peak 5585 weight 0.10000E+01 volume 0.22400E+00 ppm1 9.184 ppm2 3.287
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1157 and name HB1 ))
OR
(( segid " " and resid 1107 and name HA2 ))
)
6.000 6.000 0.000 peak 5583 weight 0.10000E+01 volume 0.35500E+00 ppm1 9.186 ppm2 3.459
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1131 and name HA ))
OR
(( segid " " and resid 1107 and name HA1 ))
)
5.000 5.000 0.000 peak 5582 weight 0.10000E+01 volume 0.46900E+00 ppm1 9.185 ppm2 3.788
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1152 and name HA ))
OR
(( segid " " and resid 1130 and name HA ))
)
6.000 6.000 0.000 peak 5581 weight 0.10000E+01 volume 0.26900E+00 ppm1 9.186 ppm2 3.939
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1154 and name HA ))
)
2.700 2.700 0.000 peak 5580 weight 0.10000E+01 volume 0.67790E+01 ppm1 9.183 ppm2 4.246
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1153 and name HA ))
)
2.700 2.700 0.000 peak 5579 weight 0.10000E+01 volume 0.72370E+01 ppm1 9.186 ppm2 4.497
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1156 and name HN ))
OR
(( segid " " and resid 1154 and name HD21))
)
5.000 5.000 0.000 peak 5541 weight 0.10000E+01 volume 0.54400E+00 ppm1 9.186 ppm2 7.538
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1153 and name HG2 ))
)
6.000 6.000 0.000 peak 8823 weight 0.10000E+01 volume 0.15800E+00 ppm1 7.547 ppm2 1.476
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1153 and name HG1 ))
)
6.000 6.000 0.000 peak 8824 weight 0.10000E+01 volume 0.11100E+00 ppm1 7.548 ppm2 1.559
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)
6.000 6.000 0.000 peak 8825 weight 0.10000E+01 volume 0.29700E+00 ppm1 7.549 ppm2 1.696
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1156 and name HB2 ))
)
6.000 6.000 0.000 peak 8826 weight 0.10000E+01 volume 0.16200E+00 ppm1 7.548 ppm2 1.803
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1154 and name HB2 ))
)
3.300 3.300 0.000 peak 8822 weight 0.10000E+01 volume 0.22920E+01 ppm1 7.549 ppm2 2.681
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1154 and name HB1 ))
)
5.000 5.000 0.000 peak 8821 weight 0.10000E+01 volume 0.12520E+01 ppm1 7.549 ppm2 3.004
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1154 and name HA ))
)
6.000 6.000 0.000 peak 8828 weight 0.10000E+01 volume 0.29000E+00 ppm1 7.549 ppm2 4.247
ASSI (
(( segid " " and resid 1154 and name HD22))
)(
(( segid " " and resid 1153 and name HG2 ))
)
6.000 6.000 0.000 peak 8836 weight 0.10000E+01 volume 0.24200E+00 ppm1 6.802 ppm2 1.485
ASSI (
(( segid " " and resid 1154 and name HD22))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)
6.000 6.000 0.000 peak 8838 weight 0.10000E+01 volume 0.27600E+00 ppm1 6.801 ppm2 1.691
ASSI (
(( segid " " and resid 1154 and name HD22))
)(
(( segid " " and resid 1154 and name HB1 ))
)
5.000 5.000 0.000 peak 8833 weight 0.10000E+01 volume 0.86800E+00 ppm1 6.801 ppm2 3.003
ASSI (
(( segid " " and resid 1154 and name HD22))
)(
(( segid " " and resid 1154 and name HA ))
)
6.000 6.000 0.000 peak 8832 weight 0.10000E+01 volume 0.17300E+00 ppm1 6.802 ppm2 4.241
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
OR
(( segid " " and resid 1108 and name HB2 ))
)
6.000 6.000 0.000 peak 5576 weight 0.10000E+01 volume -0.11100E+00 ppm1 7.655 ppm2 1.694
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1156 and name HB2 ))
OR
(( segid " " and resid 1130 and name HG2 ))
OR
(( segid " " and resid 1130 and name HB2 ))
)
6.000 6.000 0.000 peak 5575 weight 0.10000E+01 volume -0.25200E+00 ppm1 7.658 ppm2 1.856
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1130 and name HG1 ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
6.000 6.000 0.000 peak 5574 weight 0.10000E+01 volume -0.14600E+00 ppm1 7.656 ppm2 2.036
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
OR
(( segid " " and resid 1152 and name HB1 ))
OR
(( segid " " and resid 1130 and name HB1 ))
)
6.000 6.000 0.000 peak 5573 weight 0.10000E+01 volume -0.27600E+00 ppm1 7.657 ppm2 2.283
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1154 and name HB2 ))
)
6.000 6.000 0.000 peak 5572 weight 0.10000E+01 volume -0.27900E+00 ppm1 7.651 ppm2 2.682
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1154 and name HB1 ))
)
6.000 6.000 0.000 peak 5571 weight 0.10000E+01 volume -0.33900E+00 ppm1 7.661 ppm2 3.000
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1155 and name HA2 ))
)
2.700 2.700 0.000 peak 5570 weight 0.10000E+01 volume -0.32900E+01 ppm1 7.660 ppm2 3.290
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1131 and name HA ))
OR
(( segid " " and resid 1107 and name HA1 ))
)
5.000 5.000 0.000 peak 5567 weight 0.10000E+01 volume -0.14580E+01 ppm1 7.657 ppm2 3.773
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1155 and name HA1 ))
)
3.300 3.300 0.000 peak 5568 weight 0.10000E+01 volume -0.30440E+01 ppm1 7.657 ppm2 3.858
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1154 and name HA ))
)
3.300 3.300 0.000 peak 5566 weight 0.10000E+01 volume -0.25700E+01 ppm1 7.657 ppm2 4.245
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1153 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 5565 weight 0.10000E+01 volume -0.69500E+00 ppm1 7.656 ppm2 4.504
ASSI (
(( segid " " and resid 1155 and name HN ))
)(
(( segid " " and resid 1107 and name HN ))
)
6.000 6.000 0.000 peak 5563 weight 0.10000E+01 volume -0.11800E+00 ppm1 7.656 ppm2 8.253
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1153 and name HG1 ))
)
6.000 6.000 0.000 peak 5559 weight 0.10000E+01 volume 0.10600E+00 ppm1 7.544 ppm2 1.547
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
OR
(( segid " " and resid 1108 and name HB2 ))
)
5.000 5.000 0.000 peak 5558 weight 0.10000E+01 volume 0.53900E+00 ppm1 7.548 ppm2 1.705
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1156 and name HB2 ))
)
3.300 3.300 0.000 peak 5557 weight 0.10000E+01 volume 0.31920E+01 ppm1 7.545 ppm2 1.832
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1156 and name HB1 ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
3.300 3.300 0.000 peak 5556 weight 0.10000E+01 volume 0.19870E+01 ppm1 7.545 ppm2 2.076
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
OR
(( segid " " and resid 1152 and name HB1 ))
)
3.300 3.300 0.000 peak 5555 weight 0.10000E+01 volume 0.24090E+01 ppm1 7.543 ppm2 2.304
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1154 and name HB2 ))
)
5.000 5.000 0.000 peak 5554 weight 0.10000E+01 volume 0.40300E+00 ppm1 7.546 ppm2 2.676
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1154 and name HB1 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1113 and name HD1 ))
)
6.000 6.000 0.000 peak 5553 weight 0.10000E+01 volume 0.39100E+00 ppm1 7.546 ppm2 3.000
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1155 and name HA1 ))
)
5.000 5.000 0.000 peak 5550 weight 0.10000E+01 volume 0.16960E+01 ppm1 7.545 ppm2 3.872
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1152 and name HA ))
OR
(( segid " " and resid 1130 and name HA ))
)
5.000 5.000 0.000 peak 5549 weight 0.10000E+01 volume 0.67400E+00 ppm1 7.545 ppm2 3.939
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1154 and name HA ))
OR
(( segid " " and resid 1108 and name HA ))
)
5.000 5.000 0.000 peak 5548 weight 0.10000E+01 volume 0.55100E+00 ppm1 7.547 ppm2 4.245
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1153 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 5547 weight 0.10000E+01 volume 0.44200E+00 ppm1 7.547 ppm2 4.484
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1156 and name HA ))
)
3.300 3.300 0.000 peak 5546 weight 0.10000E+01 volume 0.25630E+01 ppm1 7.545 ppm2 4.587
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1157 and name HB1 ))
OR
(( segid " " and resid 1107 and name HA2 ))
)
6.000 6.000 0.000 peak 5552 weight 0.10000E+01 volume 0.37300E+00 ppm1 7.549 ppm2 3.465
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1157 and name HA ))
)
6.000 6.000 0.000 peak 5545 weight 0.10000E+01 volume 0.19800E+00 ppm1 7.546 ppm2 5.018
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1112 and name HB2 ))
)
6.000 6.000 0.000 peak 5514 weight 0.10000E+01 volume 0.32000E+00 ppm1 8.539 ppm2 0.415
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1156 and name HB2 ))
OR
(( segid " " and resid 1113 and name HG2 ))
)
5.000 5.000 0.000 peak 5513 weight 0.10000E+01 volume 0.11280E+01 ppm1 8.539 ppm2 1.830
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1156 and name HB1 ))
OR
(( segid " " and resid 1109 and name HB2 ))
)
5.000 5.000 0.000 peak 5512 weight 0.10000E+01 volume 0.15310E+01 ppm1 8.540 ppm2 2.075
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1156 and name HG2 ))
OR
(( segid " " and resid 1156 and name HG1 ))
OR
(( segid " " and resid 1152 and name HB1 ))
)
5.000 5.000 0.000 peak 5511 weight 0.10000E+01 volume 0.10250E+01 ppm1 8.540 ppm2 2.300
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1113 and name HD2 ))
)
3.300 3.300 0.000 peak 5510 weight 0.10000E+01 volume 0.25240E+01 ppm1 8.539 ppm2 2.934
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1153 and name HD2 ))
)
6.000 6.000 0.000 peak 5509 weight 0.10000E+01 volume 0.19400E+00 ppm1 8.539 ppm2 3.114
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1155 and name HA2 ))
OR
(( segid " " and resid 1112 and name HA ))
)
6.000 6.000 0.000 peak 5508 weight 0.10000E+01 volume 0.14100E+00 ppm1 8.537 ppm2 3.274
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1155 and name HA1 ))
OR
(( segid " " and resid 1152 and name HA ))
)
6.000 6.000 0.000 peak 5506 weight 0.10000E+01 volume 0.24600E+00 ppm1 8.543 ppm2 3.923
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1158 and name HA ))
OR
(( segid " " and resid 1153 and name HA ))
)
6.000 6.000 0.000 peak 5505 weight 0.10000E+01 volume 0.37900E+00 ppm1 8.539 ppm2 4.483
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1114 and name HA ))
OR
(( segid " " and resid 1110 and name HA1 ))
)
6.000 6.000 0.000 peak 5503 weight 0.10000E+01 volume 0.29900E+00 ppm1 8.539 ppm2 4.704
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1157 and name HD1 ))
)
5.000 5.000 0.000 peak 5500 weight 0.10000E+01 volume 0.93700E+00 ppm1 8.538 ppm2 7.109
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1156 and name HN ))
)
5.000 5.000 0.000 peak 5498 weight 0.10000E+01 volume 0.71700E+00 ppm1 8.538 ppm2 7.536
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1152 and name HN ))
)
6.000 6.000 0.000 peak 5496 weight 0.10000E+01 volume 0.15300E+00 ppm1 8.538 ppm2 8.300
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1157 and name HN ))
)
6.000 6.000 0.000 peak 5495 weight 0.10000E+01 volume 0.25900E+00 ppm1 9.754 ppm2 8.548
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1152 and name HA ))
OR
(( segid " " and resid 1130 and name HA ))
OR
(( segid " " and resid 1110 and name HA2 ))
)
6.000 6.000 0.000 peak 5525 weight 0.10000E+01 volume 0.27200E+00 ppm1 9.752 ppm2 3.945
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1157 and name HB1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
)
6.000 6.000 0.000 peak 5527 weight 0.10000E+01 volume 0.39200E+00 ppm1 9.749 ppm2 3.439
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1112 and name HB2 ))
)
6.000 6.000 0.000 peak 5538 weight 0.10000E+01 volume 0.27400E+00 ppm1 9.750 ppm2 0.342
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1112 and name HB2 ))
)
6.000 6.000 0.000 peak 5537 weight 0.10000E+01 volume 0.27200E+00 ppm1 9.750 ppm2 0.420
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1125 and name HB1 ))
OR
(( segid " " and resid 1112 and name HB1 ))
)
6.000 6.000 0.000 peak 5535 weight 0.10000E+01 volume 0.18300E+00 ppm1 9.749 ppm2 1.287
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1134 and name HB ))
OR
(( segid " " and resid 1125 and name HG ))
OR
(( segid " " and resid 1112 and name HG1 ))
)
6.000 6.000 0.000 peak 5534 weight 0.10000E+01 volume 0.11600E+00 ppm1 9.746 ppm2 1.535
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1128 and name HB2 ))
)
6.000 6.000 0.000 peak 5532 weight 0.10000E+01 volume 0.37700E+00 ppm1 9.750 ppm2 2.489
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1128 and name HB1 ))
OR
(( segid " " and resid 1113 and name HD2 ))
)
5.000 5.000 0.000 peak 5531 weight 0.10000E+01 volume 0.13240E+01 ppm1 9.751 ppm2 2.932
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1155 and name HA2 ))
OR
(( segid " " and resid 1112 and name HA ))
)
3.300 3.300 0.000 peak 5528 weight 0.10000E+01 volume 0.17690E+01 ppm1 9.749 ppm2 3.260
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1153 and name HA ))
OR
(( segid " " and resid 1109 and name HA ))
)
5.000 5.000 0.000 peak 5524 weight 0.10000E+01 volume 0.73200E+00 ppm1 9.752 ppm2 4.521
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1127 and name HA ))
OR
(( segid " " and resid 1111 and name HA ))
OR
(( segid " " and resid 1110 and name HA1 ))
)
6.000 6.000 0.000 peak 5523 weight 0.10000E+01 volume 0.30100E+00 ppm1 9.752 ppm2 4.727
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1157 and name HZ2 ))
)
5.000 5.000 0.000 peak 5521 weight 0.10000E+01 volume 0.16170E+01 ppm1 9.749 ppm2 6.513
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1128 and name HE2 ))
OR
(( segid " " and resid 1128 and name HE1 ))
)
6.000 6.000 0.000 peak 5520 weight 0.10000E+01 volume 0.13900E+00 ppm1 9.747 ppm2 6.801
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1131 and name HN ))
OR
(( segid " " and resid 1128 and name HN ))
)
6.000 6.000 0.000 peak 5515 weight 0.10000E+01 volume 0.10300E+00 ppm1 9.746 ppm2 8.948
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
OR
(( segid " " and resid 1112 and name HG2 ))
)
6.000 6.000 0.000 peak 5536 weight 0.10000E+01 volume 0.93000E-01 ppm1 9.744 ppm2 1.070
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1157 and name HB1 ))
OR
(( segid " " and resid 1112 and name HD2 ))
OR
(( segid " " and resid 1112 and name HD1 ))
)
5.000 5.000 0.000 peak 5526 weight 0.10000E+01 volume 0.48600E+00 ppm1 9.750 ppm2 3.501
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
OR
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
6.000 6.000 0.000 peak 5539 weight 0.10000E+01 volume 0.15500E+00 ppm1 9.743 ppm2 0.077
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1152 and name HN ))
OR
(( segid " " and resid 1134 and name HN ))
)
6.000 6.000 0.000 peak 5467 weight 0.10000E+01 volume 0.37900E+00 ppm1 8.154 ppm2 8.281
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1150 and name HD13))
OR
(( segid " " and resid 1150 and name HD12))
OR
(( segid " " and resid 1150 and name HD11))
OR
(( segid " " and resid 1112 and name HB2 ))
)
5.000 5.000 0.000 peak 5492 weight 0.10000E+01 volume 0.56300E+00 ppm1 8.153 ppm2 0.417
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1150 and name HG12))
)
5.000 5.000 0.000 peak 5491 weight 0.10000E+01 volume 0.46400E+00 ppm1 8.155 ppm2 0.741
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1151 and name HG23))
OR
(( segid " " and resid 1151 and name HG22))
OR
(( segid " " and resid 1151 and name HG21))
)
6.000 6.000 0.000 peak 5490 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.157 ppm2 1.042
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1159 and name HB1 ))
OR
(( segid " " and resid 1150 and name HB ))
)
5.000 5.000 0.000 peak 5488 weight 0.10000E+01 volume 0.61900E+00 ppm1 8.155 ppm2 2.013
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1157 and name HB2 ))
OR
(( segid " " and resid 1113 and name HD2 ))
)
5.000 5.000 0.000 peak 5487 weight 0.10000E+01 volume 0.69900E+00 ppm1 8.155 ppm2 2.933
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1157 and name HB1 ))
)
5.000 5.000 0.000 peak 5486 weight 0.10000E+01 volume 0.95800E+00 ppm1 8.155 ppm2 3.466
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1160 and name HD2 ))
OR
(( segid " " and resid 1151 and name HB ))
OR
(( segid " " and resid 1114 and name HD2 ))
)
6.000 6.000 0.000 peak 5485 weight 0.10000E+01 volume 0.23900E+00 ppm1 8.158 ppm2 3.676
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1152 and name HA ))
)
5.000 5.000 0.000 peak 5484 weight 0.10000E+01 volume 0.95600E+00 ppm1 8.156 ppm2 3.925
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1159 and name HA ))
OR
(( segid " " and resid 1158 and name HB1 ))
)
5.000 5.000 0.000 peak 5482 weight 0.10000E+01 volume 0.97200E+00 ppm1 8.156 ppm2 4.362
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1157 and name HA ))
)
2.700 2.700 0.000 peak 5479 weight 0.10000E+01 volume 0.39090E+01 ppm1 8.156 ppm2 5.011
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1151 and name HA ))
OR
(( segid " " and resid 1149 and name HA ))
)
6.000 6.000 0.000 peak 5478 weight 0.10000E+01 volume 0.11900E+00 ppm1 8.155 ppm2 5.411
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)
6.000 6.000 0.000 peak 5489 weight 0.10000E+01 volume 0.15800E+00 ppm1 8.152 ppm2 1.712
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1113 and name HB2 ))
)
6.000 6.000 0.000 peak 5466 weight 0.10000E+01 volume 0.18700E+00 ppm1 7.965 ppm2 1.788
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1160 and name HD2 ))
OR
(( segid " " and resid 1114 and name HD2 ))
)
6.000 6.000 0.000 peak 5462 weight 0.10000E+01 volume 0.36900E+00 ppm1 7.954 ppm2 3.664
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1160 and name HD1 ))
OR
(( segid " " and resid 1152 and name HA ))
)
5.000 5.000 0.000 peak 5461 weight 0.10000E+01 volume 0.42200E+00 ppm1 7.955 ppm2 3.975
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1158 and name HB2 ))
)
3.300 3.300 0.000 peak 5460 weight 0.10000E+01 volume 0.20690E+01 ppm1 7.955 ppm2 4.178
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1159 and name HA ))
OR
(( segid " " and resid 1158 and name HB1 ))
)
2.700 2.700 0.000 peak 5459 weight 0.10000E+01 volume 0.33320E+01 ppm1 7.954 ppm2 4.375
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1161 and name HA ))
OR
(( segid " " and resid 1156 and name HA ))
OR
(( segid " " and resid 1150 and name HA ))
OR
(( segid " " and resid 1114 and name HA ))
OR
(( segid " " and resid 1113 and name HA ))
)
5.000 5.000 0.000 peak 5457 weight 0.10000E+01 volume 0.74500E+00 ppm1 7.956 ppm2 4.620
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1162 and name HE2 ))
OR
(( segid " " and resid 1162 and name HE1 ))
OR
(( segid " " and resid 1147 and name HB1 ))
OR
(( segid " " and resid 1138 and name HB1 ))
)
6.000 6.000 0.000 peak 5440 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.035 ppm2 2.957
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
6.000 6.000 0.000 peak 5452 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.039 ppm2 0.171
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 5451 weight 0.10000E+01 volume 0.61900E+00 ppm1 8.041 ppm2 0.573
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
OR
(( segid " " and resid 1144 and name HD13))
OR
(( segid " " and resid 1144 and name HD12))
OR
(( segid " " and resid 1144 and name HD11))
)
5.000 5.000 0.000 peak 5450 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.042 ppm2 0.743
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
OR
(( segid " " and resid 1144 and name HG ))
)
3.300 3.300 0.000 peak 5448 weight 0.10000E+01 volume 0.18040E+01 ppm1 8.041 ppm2 1.335
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1162 and name HB1 ))
OR
(( segid " " and resid 1144 and name HB1 ))
)
3.300 3.300 0.000 peak 5446 weight 0.10000E+01 volume 0.19710E+01 ppm1 8.040 ppm2 1.664
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1161 and name HB1 ))
)
5.000 5.000 0.000 peak 5445 weight 0.10000E+01 volume 0.16860E+01 ppm1 8.041 ppm2 1.791
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1145 and name HB1 ))
)
5.000 5.000 0.000 peak 5444 weight 0.10000E+01 volume 0.67600E+00 ppm1 8.041 ppm2 1.954
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1148 and name HB1 ))
)
6.000 6.000 0.000 peak 5443 weight 0.10000E+01 volume 0.16900E+00 ppm1 8.042 ppm2 2.115
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
OR
(( segid " " and resid 1142 and name HB2 ))
)
6.000 6.000 0.000 peak 5442 weight 0.10000E+01 volume 0.33900E+00 ppm1 8.042 ppm2 2.246
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1161 and name HD2 ))
OR
(( segid " " and resid 1159 and name HG2 ))
OR
(( segid " " and resid 1159 and name HG1 ))
)
6.000 6.000 0.000 peak 5441 weight 0.10000E+01 volume 0.26200E+00 ppm1 8.041 ppm2 2.434
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1161 and name HD1 ))
)
6.000 6.000 0.000 peak 5439 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.041 ppm2 3.349
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1159 and name HA ))
)
6.000 6.000 0.000 peak 5437 weight 0.10000E+01 volume 0.29600E+00 ppm1 8.041 ppm2 4.382
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1163 and name HA ))
)
6.000 6.000 0.000 peak 5434 weight 0.10000E+01 volume 0.10700E+00 ppm1 8.041 ppm2 5.049
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1146 and name HA2 ))
)
6.000 6.000 0.000 peak 5438 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.040 ppm2 3.598
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1148 and name HB1 ))
OR
(( segid " " and resid 1117 and name HB1 ))
)
6.000 6.000 0.000 peak 5424 weight 0.10000E+01 volume 0.14700E+00 ppm1 8.991 ppm2 2.075
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1115 and name HD13))
OR
(( segid " " and resid 1115 and name HD12))
OR
(( segid " " and resid 1115 and name HD11))
)
5.000 5.000 0.000 peak 5431 weight 0.10000E+01 volume 0.57000E+00 ppm1 8.997 ppm2 0.171
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
OR
(( segid " " and resid 1144 and name HD23))
OR
(( segid " " and resid 1144 and name HD22))
OR
(( segid " " and resid 1144 and name HD21))
)
5.000 5.000 0.000 peak 5429 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.999 ppm2 0.628
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1162 and name HG2 ))
OR
(( segid " " and resid 1162 and name HG1 ))
)
5.000 5.000 0.000 peak 5428 weight 0.10000E+01 volume 0.13230E+01 ppm1 8.997 ppm2 1.349
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1161 and name HB1 ))
OR
(( segid " " and resid 1160 and name HG2 ))
OR
(( segid " " and resid 1160 and name HG1 ))
OR
(( segid " " and resid 1148 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
6.000 6.000 0.000 peak 5425 weight 0.10000E+01 volume 0.26300E+00 ppm1 8.995 ppm2 1.793
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
OR
(( segid " " and resid 1142 and name HB2 ))
)
6.000 6.000 0.000 peak 5423 weight 0.10000E+01 volume 0.22500E+00 ppm1 8.998 ppm2 2.260
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1162 and name HE2 ))
OR
(( segid " " and resid 1162 and name HE1 ))
OR
(( segid " " and resid 1138 and name HB1 ))
)
6.000 6.000 0.000 peak 5420 weight 0.10000E+01 volume 0.22800E+00 ppm1 8.999 ppm2 2.942
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1160 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
OR
(( segid " " and resid 1116 and name HA ))
)
6.000 6.000 0.000 peak 5419 weight 0.10000E+01 volume 0.23400E+00 ppm1 8.998 ppm2 4.366
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
OR
(( segid " " and resid 1117 and name HD22))
)
6.000 6.000 0.000 peak 5415 weight 0.10000E+01 volume 0.18700E+00 ppm1 9.000 ppm2 6.646
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
OR
(( segid " " and resid 1138 and name HB2 ))
)
6.000 6.000 0.000 peak 5402 weight 0.10000E+01 volume 0.29200E+00 ppm1 9.531 ppm2 2.500
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
3.300 3.300 0.000 peak 5408 weight 0.10000E+01 volume 0.20030E+01 ppm1 9.530 ppm2 0.630
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1164 and name HB1 ))
)
3.300 3.300 0.000 peak 5404 weight 0.10000E+01 volume 0.23140E+01 ppm1 9.529 ppm2 1.626
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1220 and name HB2 ))
OR
(( segid " " and resid 1145 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
5.000 5.000 0.000 peak 5405 weight 0.10000E+01 volume 0.43300E+00 ppm1 9.528 ppm2 1.788
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1166 and name HD2 ))
OR
(( segid " " and resid 1145 and name HB1 ))
)
6.000 6.000 0.000 peak 5406 weight 0.10000E+01 volume 0.20500E+00 ppm1 9.534 ppm2 1.952
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
OR
(( segid " " and resid 1142 and name HB2 ))
)
6.000 6.000 0.000 peak 5403 weight 0.10000E+01 volume 0.36900E+00 ppm1 9.531 ppm2 2.246
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1163 and name HB1 ))
)
6.000 6.000 0.000 peak 5401 weight 0.10000E+01 volume 0.28500E+00 ppm1 9.530 ppm2 2.786
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
)
5.000 5.000 0.000 peak 5400 weight 0.10000E+01 volume 0.65900E+00 ppm1 9.532 ppm2 4.345
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1220 and name HA ))
OR
(( segid " " and resid 1162 and name HA ))
OR
(( segid " " and resid 1146 and name HA1 ))
OR
(( segid " " and resid 1137 and name HA ))
OR
(( segid " " and resid 1118 and name HA1 ))
)
6.000 6.000 0.000 peak 5399 weight 0.10000E+01 volume 0.33600E+00 ppm1 9.532 ppm2 4.494
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 5392 weight 0.10000E+01 volume 0.13500E+00 ppm1 9.774 ppm2 0.386
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 5391 weight 0.10000E+01 volume 0.12110E+01 ppm1 9.778 ppm2 0.641
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1164 and name HB2 ))
)
6.000 6.000 0.000 peak 5390 weight 0.10000E+01 volume 0.38400E+00 ppm1 9.776 ppm2 1.120
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1162 and name HD1 ))
)
5.000 5.000 0.000 peak 5389 weight 0.10000E+01 volume 0.55200E+00 ppm1 9.776 ppm2 1.625
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1220 and name HB2 ))
OR
(( segid " " and resid 1166 and name HB2 ))
OR
(( segid " " and resid 1162 and name HB1 ))
)
6.000 6.000 0.000 peak 5388 weight 0.10000E+01 volume 0.35100E+00 ppm1 9.780 ppm2 1.733
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
)
5.000 5.000 0.000 peak 5386 weight 0.10000E+01 volume 0.64600E+00 ppm1 9.775 ppm2 2.480
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1166 and name HD1 ))
OR
(( segid " " and resid 1162 and name HE2 ))
OR
(( segid " " and resid 1162 and name HE1 ))
OR
(( segid " " and resid 1138 and name HB1 ))
)
6.000 6.000 0.000 peak 5385 weight 0.10000E+01 volume 0.15400E+00 ppm1 9.772 ppm2 2.922
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
6.000 6.000 0.000 peak 5377 weight 0.10000E+01 volume 0.12100E+00 ppm1 9.773 ppm2 6.652
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
OR
(( segid " " and resid 1168 and name HB ))
OR
(( segid " " and resid 1166 and name HD2 ))
OR
(( segid " " and resid 1145 and name HB1 ))
)
6.000 6.000 0.000 peak 5387 weight 0.10000E+01 volume 0.14600E+00 ppm1 9.779 ppm2 1.938
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1166 and name HD1 ))
)
6.000 6.000 0.000 peak 5341 weight 0.10000E+01 volume 0.19800E+00 ppm1 9.414 ppm2 2.901
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1193 and name HN ))
)
6.000 6.000 0.000 peak 5317 weight 0.10000E+01 volume 0.18400E+00 ppm1 9.417 ppm2 9.039
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
OR
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
6.000 6.000 0.000 peak 5339 weight 0.10000E+01 volume 0.25100E+00 ppm1 9.417 ppm2 0.395
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 5338 weight 0.10000E+01 volume 0.15700E+00 ppm1 9.418 ppm2 0.652
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
6.000 6.000 0.000 peak 5337 weight 0.10000E+01 volume 0.18500E+00 ppm1 9.416 ppm2 0.803
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1164 and name HB2 ))
OR
(( segid " " and resid 1141 and name HB2 ))
)
6.000 6.000 0.000 peak 5336 weight 0.10000E+01 volume 0.19400E+00 ppm1 9.416 ppm2 1.163
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1166 and name HG2 ))
OR
(( segid " " and resid 1141 and name HG ))
)
6.000 6.000 0.000 peak 5335 weight 0.10000E+01 volume 0.26600E+00 ppm1 9.414 ppm2 1.385
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1192 and name HB2 ))
OR
(( segid " " and resid 1166 and name HG1 ))
)
6.000 6.000 0.000 peak 5334 weight 0.10000E+01 volume 0.32100E+00 ppm1 9.417 ppm2 1.492
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
6.000 6.000 0.000 peak 5333 weight 0.10000E+01 volume 0.24800E+00 ppm1 9.415 ppm2 1.649
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1166 and name HB2 ))
)
5.000 5.000 0.000 peak 5332 weight 0.10000E+01 volume 0.92800E+00 ppm1 9.417 ppm2 1.767
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
OR
(( segid " " and resid 1168 and name HB ))
)
6.000 6.000 0.000 peak 5340 weight 0.10000E+01 volume 0.25400E+00 ppm1 9.414 ppm2 1.922
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1166 and name HB1 ))
)
5.000 5.000 0.000 peak 5331 weight 0.10000E+01 volume 0.83200E+00 ppm1 9.418 ppm2 2.192
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1193 and name HA ))
OR
(( segid " " and resid 1141 and name HA ))
)
6.000 6.000 0.000 peak 5328 weight 0.10000E+01 volume 0.16800E+00 ppm1 9.410 ppm2 3.665
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1190 and name HA ))
)
6.000 6.000 0.000 peak 5322 weight 0.10000E+01 volume 0.27700E+00 ppm1 9.416 ppm2 5.332
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1168 and name HN ))
)
6.000 6.000 0.000 peak 5295 weight 0.10000E+01 volume 0.34100E+00 ppm1 9.414 ppm2 8.533
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
6.000 6.000 0.000 peak 5314 weight 0.10000E+01 volume 0.18700E+00 ppm1 8.533 ppm2 0.660
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
6.000 6.000 0.000 peak 5301 weight 0.10000E+01 volume 0.10800E+00 ppm1 8.525 ppm2 6.840
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1223 and name HG ))
)
6.000 6.000 0.000 peak 5312 weight 0.10000E+01 volume 0.18000E+00 ppm1 8.533 ppm2 1.082
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1222 and name HG1 ))
OR
(( segid " " and resid 1169 and name HG11))
OR
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 5311 weight 0.10000E+01 volume 0.15000E+00 ppm1 8.538 ppm2 1.382
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1166 and name HD2 ))
)
6.000 6.000 0.000 peak 5310 weight 0.10000E+01 volume 0.13000E+00 ppm1 8.533 ppm2 2.022
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
6.000 6.000 0.000 peak 5306 weight 0.10000E+01 volume 0.96000E-01 ppm1 8.527 ppm2 3.072
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1221 and name HA1 ))
OR
(( segid " " and resid 1165 and name HA ))
)
6.000 6.000 0.000 peak 5304 weight 0.10000E+01 volume 0.24500E+00 ppm1 8.536 ppm2 4.045
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1167 and name HA ))
)
2.700 2.700 0.000 peak 5302 weight 0.10000E+01 volume 0.38370E+01 ppm1 8.527 ppm2 4.774
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1192 and name HN ))
OR
(( segid " " and resid 1191 and name HN ))
)
6.000 6.000 0.000 peak 5297 weight 0.10000E+01 volume 0.19400E+00 ppm1 8.534 ppm2 8.805
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1220 and name HN ))
OR
(( segid " " and resid 1219 and name HN ))
)
6.000 6.000 0.000 peak 5299 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.533 ppm2 8.918
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
)
6.000 6.000 0.000 peak 5316 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.533 ppm2 0.387
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1189 and name HG ))
OR
(( segid " " and resid 1189 and name HB2 ))
)
5.000 5.000 0.000 peak 5286 weight 0.10000E+01 volume 0.43200E+00 ppm1 8.214 ppm2 1.526
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1190 and name HD1 ))
)
6.000 6.000 0.000 peak 5278 weight 0.10000E+01 volume 0.19200E+00 ppm1 8.220 ppm2 6.823
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 5291 weight 0.10000E+01 volume 0.91600E+00 ppm1 8.220 ppm2 0.680
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
OR
(( segid " " and resid 1169 and name HG12))
)
5.000 5.000 0.000 peak 5289 weight 0.10000E+01 volume 0.98000E+00 ppm1 8.220 ppm2 0.914
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 5288 weight 0.10000E+01 volume 0.11350E+01 ppm1 8.220 ppm2 1.011
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1169 and name HG11))
)
5.000 5.000 0.000 peak 5287 weight 0.10000E+01 volume 0.11220E+01 ppm1 8.221 ppm2 1.350
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1169 and name HB ))
)
3.300 3.300 0.000 peak 5285 weight 0.10000E+01 volume 0.23460E+01 ppm1 8.217 ppm2 1.686
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
OR
(( segid " " and resid 1168 and name HB ))
)
5.000 5.000 0.000 peak 5284 weight 0.10000E+01 volume 0.49200E+00 ppm1 8.216 ppm2 1.879
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1167 and name HB2 ))
)
6.000 6.000 0.000 peak 5283 weight 0.10000E+01 volume 0.23400E+00 ppm1 8.217 ppm2 2.714
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1189 and name HA ))
)
5.000 5.000 0.000 peak 5280 weight 0.10000E+01 volume 0.82500E+00 ppm1 8.222 ppm2 4.316
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
6.000 6.000 0.000 peak 5282 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.215 ppm2 2.796
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1190 and name HN ))
OR
(( segid " " and resid 1173 and name HN ))
)
6.000 6.000 0.000 peak 5276 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.213 ppm2 7.357
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
OR
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
6.000 6.000 0.000 peak 5292 weight 0.10000E+01 volume 0.18900E+00 ppm1 8.221 ppm2 0.525
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 5271 weight 0.10000E+01 volume 0.16300E+00 ppm1 7.924 ppm2 -0.437
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
OR
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
6.000 6.000 0.000 peak 5269 weight 0.10000E+01 volume 0.21700E+00 ppm1 7.924 ppm2 0.505
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 5267 weight 0.10000E+01 volume 0.82800E+00 ppm1 7.923 ppm2 0.658
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1173 and name HG12))
OR
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
5.000 5.000 0.000 peak 5268 weight 0.10000E+01 volume 0.44500E+00 ppm1 7.922 ppm2 0.777
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
3.300 3.300 0.000 peak 5265 weight 0.10000E+01 volume 0.22920E+01 ppm1 7.924 ppm2 1.012
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1173 and name HB ))
)
5.000 5.000 0.000 peak 5266 weight 0.10000E+01 volume 0.53600E+00 ppm1 7.924 ppm2 1.113
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1169 and name HB ))
)
6.000 6.000 0.000 peak 5264 weight 0.10000E+01 volume 0.39700E+00 ppm1 7.923 ppm2 1.676
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1174 and name HG1 ))
)
6.000 6.000 0.000 peak 5263 weight 0.10000E+01 volume 0.13800E+00 ppm1 7.923 ppm2 2.840
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1169 and name HA ))
)
2.700 2.700 0.000 peak 5260 weight 0.10000E+01 volume 0.44270E+01 ppm1 7.923 ppm2 4.146
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
5.000 5.000 0.000 peak 5257 weight 0.10000E+01 volume 0.75500E+00 ppm1 7.924 ppm2 6.704
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
6.000 6.000 0.000 peak 5258 weight 0.10000E+01 volume 0.25700E+00 ppm1 7.922 ppm2 6.788
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 5270 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.927 ppm2 0.394
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1173 and name HG12))
OR
(( segid " " and resid 1168 and name HG23))
)
6.000 6.000 0.000 peak 5252 weight 0.10000E+01 volume 0.38800E+00 ppm1 8.989 ppm2 0.792
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1171 and name HG2 ))
)
5.000 5.000 0.000 peak 5248 weight 0.10000E+01 volume 0.88100E+00 ppm1 8.992 ppm2 1.651
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1171 and name HG1 ))
)
2.700 2.700 0.000 peak 5250 weight 0.10000E+01 volume 0.36130E+01 ppm1 8.989 ppm2 1.804
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1187 and name HG2 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
OR
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)
6.000 6.000 0.000 peak 5246 weight 0.10000E+01 volume 0.35700E+00 ppm1 8.991 ppm2 2.191
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 5245 weight 0.10000E+01 volume 0.38800E+00 ppm1 8.991 ppm2 3.702
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1172 and name HA ))
OR
(( segid " " and resid 1170 and name HB1 ))
)
5.000 5.000 0.000 peak 5244 weight 0.10000E+01 volume 0.57200E+00 ppm1 8.989 ppm2 3.918
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1173 and name HA ))
OR
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
)
5.000 5.000 0.000 peak 5240 weight 0.10000E+01 volume 0.69900E+00 ppm1 8.992 ppm2 3.210
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
5.000 5.000 0.000 peak 5237 weight 0.10000E+01 volume 0.71600E+00 ppm1 7.357 ppm2 0.645
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1173 and name HG12))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
5.000 5.000 0.000 peak 5236 weight 0.10000E+01 volume 0.74400E+00 ppm1 7.358 ppm2 0.729
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1173 and name HG11))
)
5.000 5.000 0.000 peak 5234 weight 0.10000E+01 volume 0.12590E+01 ppm1 7.357 ppm2 1.307
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
OR
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)
5.000 5.000 0.000 peak 5233 weight 0.10000E+01 volume 0.42300E+00 ppm1 7.357 ppm2 2.196
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1176 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
6.000 6.000 0.000 peak 5230 weight 0.10000E+01 volume 0.13500E+00 ppm1 7.358 ppm2 2.625
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1170 and name HB2 ))
)
5.000 5.000 0.000 peak 5228 weight 0.10000E+01 volume 0.51900E+00 ppm1 7.356 ppm2 3.704
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1172 and name HA ))
OR
(( segid " " and resid 1170 and name HB1 ))
)
5.000 5.000 0.000 peak 5227 weight 0.10000E+01 volume 0.56700E+00 ppm1 7.357 ppm2 3.903
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)
6.000 6.000 0.000 peak 5239 weight 0.10000E+01 volume 0.15300E+00 ppm1 7.355 ppm2 6.737
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1175 and name HN ))
)
6.000 6.000 0.000 peak 5207 weight 0.10000E+01 volume 0.18000E+00 ppm1 7.356 ppm2 7.798
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
6.000 6.000 0.000 peak 5191 weight 0.10000E+01 volume 0.38500E+00 ppm1 7.442 ppm2 0.653
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG21))
OR
(( segid " " and resid 1173 and name HG12))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
6.000 6.000 0.000 peak 5192 weight 0.10000E+01 volume 0.27700E+00 ppm1 7.437 ppm2 0.731
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1179 and name HG12))
OR
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 5195 weight 0.10000E+01 volume 0.53200E+00 ppm1 7.441 ppm2 1.002
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1179 and name HG11))
OR
(( segid " " and resid 1173 and name HB ))
)
5.000 5.000 0.000 peak 5194 weight 0.10000E+01 volume 0.13070E+01 ppm1 7.441 ppm2 1.110
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1173 and name HG11))
)
6.000 6.000 0.000 peak 5193 weight 0.10000E+01 volume 0.22000E+00 ppm1 7.437 ppm2 1.311
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1179 and name HB ))
OR
(( segid " " and resid 1172 and name HB2 ))
OR
(( segid " " and resid 1171 and name HG1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
6.000 6.000 0.000 peak 5199 weight 0.10000E+01 volume 0.36600E+00 ppm1 7.439 ppm2 1.831
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1174 and name HG2 ))
)
5.000 5.000 0.000 peak 5198 weight 0.10000E+01 volume 0.11320E+01 ppm1 7.441 ppm2 1.989
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
5.000 5.000 0.000 peak 5197 weight 0.10000E+01 volume 0.13390E+01 ppm1 7.441 ppm2 2.067
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
3.300 3.300 0.000 peak 5196 weight 0.10000E+01 volume 0.23270E+01 ppm1 7.441 ppm2 2.202
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1174 and name HG1 ))
)
5.000 5.000 0.000 peak 5200 weight 0.10000E+01 volume 0.14560E+01 ppm1 7.440 ppm2 2.840
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 5201 weight 0.10000E+01 volume 0.42300E+00 ppm1 7.440 ppm2 3.180
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1177 and name HB1 ))
OR
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 5202 weight 0.10000E+01 volume 0.35200E+00 ppm1 7.438 ppm2 3.703
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)
6.000 6.000 0.000 peak 5206 weight 0.10000E+01 volume 0.30800E+00 ppm1 7.441 ppm2 6.708
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1199 and name HE1 ))
)
6.000 6.000 0.000 peak 5185 weight 0.10000E+01 volume 0.29500E+00 ppm1 7.437 ppm2 7.177
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1172 and name HN ))
)
6.000 6.000 0.000 peak 5179 weight 0.10000E+01 volume 0.22300E+00 ppm1 7.441 ppm2 8.320
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
5.000 5.000 0.000 peak 5189 weight 0.10000E+01 volume 0.47200E+00 ppm1 7.439 ppm2 -0.427
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1175 and name HA ))
OR
(( segid " " and resid 1172 and name HA ))
OR
(( segid " " and resid 1170 and name HB1 ))
)
6.000 6.000 0.000 peak 5188 weight 0.10000E+01 volume 0.31600E+00 ppm1 7.439 ppm2 3.940
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1179 and name HG12))
OR
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
)
6.000 6.000 0.000 peak 5220 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.787 ppm2 1.016
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1179 and name HG11))
OR
(( segid " " and resid 1173 and name HB ))
)
6.000 6.000 0.000 peak 5219 weight 0.10000E+01 volume 0.28200E+00 ppm1 7.786 ppm2 1.116
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1179 and name HB ))
OR
(( segid " " and resid 1172 and name HB2 ))
OR
(( segid " " and resid 1171 and name HG1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
6.000 6.000 0.000 peak 5218 weight 0.10000E+01 volume 0.35100E+00 ppm1 7.785 ppm2 1.814
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
3.300 3.300 0.000 peak 5216 weight 0.10000E+01 volume 0.18850E+01 ppm1 7.786 ppm2 2.221
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1187 and name HG1 ))
OR
(( segid " " and resid 1175 and name HG2 ))
OR
(( segid " " and resid 1175 and name HG1 ))
)
3.300 3.300 0.000 peak 5215 weight 0.10000E+01 volume 0.18450E+01 ppm1 7.787 ppm2 2.325
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1176 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
6.000 6.000 0.000 peak 5214 weight 0.10000E+01 volume 0.38400E+00 ppm1 7.787 ppm2 2.606
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1174 and name HG1 ))
)
5.000 5.000 0.000 peak 5213 weight 0.10000E+01 volume 0.44300E+00 ppm1 7.787 ppm2 2.833
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1173 and name HA ))
OR
(( segid " " and resid 1171 and name HD2 ))
OR
(( segid " " and resid 1171 and name HD1 ))
)
6.000 6.000 0.000 peak 5212 weight 0.10000E+01 volume 0.29200E+00 ppm1 7.786 ppm2 3.186
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1174 and name HA ))
)
6.000 6.000 0.000 peak 5211 weight 0.10000E+01 volume 0.38600E+00 ppm1 7.787 ppm2 3.482
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1175 and name HA ))
OR
(( segid " " and resid 1172 and name HA ))
)
3.300 3.300 0.000 peak 5208 weight 0.10000E+01 volume 0.26410E+01 ppm1 7.787 ppm2 3.944
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1171 and name HA ))
)
5.000 5.000 0.000 peak 5209 weight 0.10000E+01 volume 0.59100E+00 ppm1 7.787 ppm2 4.090
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1189 and name HA ))
OR
(( segid " " and resid 1188 and name HA ))
OR
(( segid " " and resid 1181 and name HA ))
OR
(( segid " " and resid 1176 and name HA ))
)
6.000 6.000 0.000 peak 5210 weight 0.10000E+01 volume 0.23400E+00 ppm1 7.791 ppm2 4.365
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
6.000 6.000 0.000 peak 5181 weight 0.10000E+01 volume 0.14600E+00 ppm1 7.540 ppm2 0.640
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
OR
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)
5.000 5.000 0.000 peak 5177 weight 0.10000E+01 volume 0.42400E+00 ppm1 7.539 ppm2 2.228
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1175 and name HG2 ))
OR
(( segid " " and resid 1175 and name HG1 ))
)
5.000 5.000 0.000 peak 5176 weight 0.10000E+01 volume 0.40300E+00 ppm1 7.538 ppm2 2.330
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1180 and name HA ))
OR
(( segid " " and resid 1177 and name HA ))
OR
(( segid " " and resid 1170 and name HA ))
)
6.000 6.000 0.000 peak 5171 weight 0.10000E+01 volume 0.16400E+00 ppm1 7.538 ppm2 4.721
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1178 and name HD22))
OR
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
OR
(( segid " " and resid 1176 and name HD22))
)
5.000 5.000 0.000 peak 5170 weight 0.10000E+01 volume 0.40200E+00 ppm1 7.540 ppm2 6.809
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1176 and name HD21))
)
6.000 6.000 0.000 peak 5169 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.539 ppm2 6.984
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1179 and name HG11))
OR
(( segid " " and resid 1173 and name HB ))
)
6.000 6.000 0.000 peak 5180 weight 0.10000E+01 volume 0.15200E+00 ppm1 7.538 ppm2 1.120
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1177 and name HB1 ))
OR
(( segid " " and resid 1170 and name HB2 ))
)
6.000 6.000 0.000 peak 5182 weight 0.10000E+01 volume 0.10100E+00 ppm1 7.540 ppm2 3.675
ASSI (
(( segid " " and resid 1176 and name HD21))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
6.000 6.000 0.000 peak 8510 weight 0.10000E+01 volume 0.24400E+00 ppm1 6.984 ppm2 0.640
ASSI (
(( segid " " and resid 1176 and name HD21))
)(
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)
6.000 6.000 0.000 peak 8503 weight 0.10000E+01 volume 0.29900E+00 ppm1 6.976 ppm2 2.194
ASSI (
(( segid " " and resid 1176 and name HD21))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 8505 weight 0.10000E+01 volume 0.41700E+00 ppm1 6.981 ppm2 3.183
ASSI (
(( segid " " and resid 1176 and name HD21))
)(
(( segid " " and resid 1176 and name HA ))
)
6.000 6.000 0.000 peak 8442 weight 0.10000E+01 volume 0.30000E+00 ppm1 6.985 ppm2 4.362
ASSI (
(( segid " " and resid 1176 and name HD22))
)(
(( segid " " and resid 1173 and name HA ))
)
6.000 6.000 0.000 peak 8506 weight 0.10000E+01 volume 0.30400E+00 ppm1 6.810 ppm2 3.179
ASSI (
(( segid " " and resid 1176 and name HD22))
)(
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)
5.000 5.000 0.000 peak 8504 weight 0.10000E+01 volume 0.42900E+00 ppm1 6.809 ppm2 2.189
ASSI (
(( segid " " and resid 1176 and name HD22))
)(
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
6.000 6.000 0.000 peak 8446 weight 0.10000E+01 volume 0.21900E+00 ppm1 6.809 ppm2 0.629
ASSI (
(( segid " " and resid 1176 and name HD22))
)(
(( segid " " and resid 1176 and name HA ))
)
6.000 6.000 0.000 peak 8443 weight 0.10000E+01 volume 0.31700E+00 ppm1 6.811 ppm2 4.362
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1173 and name HD13))
OR
(( segid " " and resid 1173 and name HD12))
OR
(( segid " " and resid 1173 and name HD11))
)
6.000 6.000 0.000 peak 6563 weight 0.10000E+01 volume 0.23000E+00 ppm1 7.878 ppm2 0.641
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
OR
(( segid " " and resid 1173 and name HG12))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
6.000 6.000 0.000 peak 6564 weight 0.10000E+01 volume 0.19900E+00 ppm1 7.875 ppm2 0.712
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1179 and name HG11))
OR
(( segid " " and resid 1173 and name HB ))
)
6.000 6.000 0.000 peak 6567 weight 0.10000E+01 volume 0.33300E+00 ppm1 7.875 ppm2 1.146
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1173 and name HG11))
)
6.000 6.000 0.000 peak 6570 weight 0.10000E+01 volume 0.14100E+00 ppm1 7.874 ppm2 1.346
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
OR
(( segid " " and resid 1174 and name HG2 ))
)
6.000 6.000 0.000 peak 6568 weight 0.10000E+01 volume 0.18300E+00 ppm1 7.876 ppm2 2.035
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
OR
(( segid " " and resid 1172 and name HG2 ))
OR
(( segid " " and resid 1172 and name HG1 ))
)
6.000 6.000 0.000 peak 6569 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.875 ppm2 2.221
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
3.300 3.300 0.000 peak 6559 weight 0.10000E+01 volume 0.28070E+01 ppm1 7.874 ppm2 2.656
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1173 and name HA ))
)
6.000 6.000 0.000 peak 6558 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.875 ppm2 3.184
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1176 and name HA ))
)
5.000 5.000 0.000 peak 6554 weight 0.10000E+01 volume 0.80500E+00 ppm1 7.876 ppm2 4.360
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1227 and name HA ))
)
6.000 6.000 0.000 peak 6553 weight 0.10000E+01 volume 0.27500E+00 ppm1 7.876 ppm2 4.529
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
)
6.000 6.000 0.000 peak 5164 weight 0.10000E+01 volume 0.15700E+00 ppm1 7.582 ppm2 0.629
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
6.000 6.000 0.000 peak 5163 weight 0.10000E+01 volume 0.29700E+00 ppm1 7.582 ppm2 0.717
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 5162 weight 0.10000E+01 volume 0.69100E+00 ppm1 7.580 ppm2 1.016
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1179 and name HG11))
OR
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 5161 weight 0.10000E+01 volume 0.99400E+00 ppm1 7.583 ppm2 1.164
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1202 and name HD2 ))
OR
(( segid " " and resid 1173 and name HG11))
)
5.000 5.000 0.000 peak 5160 weight 0.10000E+01 volume 0.42600E+00 ppm1 7.583 ppm2 1.285
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1202 and name HD1 ))
)
5.000 5.000 0.000 peak 5159 weight 0.10000E+01 volume 0.44200E+00 ppm1 7.582 ppm2 1.378
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
5.000 5.000 0.000 peak 5156 weight 0.10000E+01 volume 0.63100E+00 ppm1 7.582 ppm2 2.659
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1174 and name HA ))
)
6.000 6.000 0.000 peak 5154 weight 0.10000E+01 volume 0.27400E+00 ppm1 7.581 ppm2 3.485
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1176 and name HA ))
)
6.000 6.000 0.000 peak 5151 weight 0.10000E+01 volume 0.26700E+00 ppm1 7.582 ppm2 4.361
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1179 and name HN ))
OR
(( segid " " and resid 1177 and name HN ))
)
2.700 2.700 0.000 peak 5127 weight 0.10000E+01 volume 0.41020E+01 ppm1 7.578 ppm2 7.870
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
OR
(( segid " " and resid 1174 and name HG2 ))
)
6.000 6.000 0.000 peak 5158 weight 0.10000E+01 volume 0.17500E+00 ppm1 7.589 ppm2 2.010
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1230 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
OR
(( segid " " and resid 1202 and name HD1 ))
)
6.000 6.000 0.000 peak 8449 weight 0.10000E+01 volume 0.22800E+00 ppm1 7.115 ppm2 1.417
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1177 and name HB2 ))
)
6.000 6.000 0.000 peak 8490 weight 0.10000E+01 volume 0.21200E+00 ppm1 7.121 ppm2 2.660
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1230 and name HA ))
OR
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1177 and name HB1 ))
)
6.000 6.000 0.000 peak 8487 weight 0.10000E+01 volume 0.25700E+00 ppm1 7.120 ppm2 3.688
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1178 and name HA ))
)
6.000 6.000 0.000 peak 8486 weight 0.10000E+01 volume 0.25300E+00 ppm1 7.120 ppm2 3.906
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 8478 weight 0.10000E+01 volume 0.98500E+00 ppm1 7.116 ppm2 6.657
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1178 and name HD22))
)
2.700 2.700 0.000 peak 8481 weight 0.10000E+01 volume 0.53520E+01 ppm1 7.114 ppm2 6.791
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1228 and name HN ))
OR
(( segid " " and resid 1205 and name HN ))
)
6.000 6.000 0.000 peak 8484 weight 0.10000E+01 volume 0.15400E+00 ppm1 7.116 ppm2 8.341
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1230 and name HN ))
)
6.000 6.000 0.000 peak 8485 weight 0.10000E+01 volume 0.11400E+00 ppm1 7.115 ppm2 8.789
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 8448 weight 0.10000E+01 volume 0.69800E+00 ppm1 6.792 ppm2 1.179
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1230 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
OR
(( segid " " and resid 1202 and name HD1 ))
)
6.000 6.000 0.000 peak 8450 weight 0.10000E+01 volume 0.34500E+00 ppm1 6.793 ppm2 1.416
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1177 and name HB2 ))
)
6.000 6.000 0.000 peak 8491 weight 0.10000E+01 volume 0.32700E+00 ppm1 6.787 ppm2 2.673
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1178 and name HB1 ))
)
5.000 5.000 0.000 peak 8434 weight 0.10000E+01 volume 0.98600E+00 ppm1 6.792 ppm2 2.803
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1230 and name HA ))
OR
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1177 and name HB1 ))
)
6.000 6.000 0.000 peak 8488 weight 0.10000E+01 volume 0.22200E+00 ppm1 6.791 ppm2 3.691
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
)
6.000 6.000 0.000 peak 8489 weight 0.10000E+01 volume 0.17700E+00 ppm1 6.792 ppm2 3.917
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 8479 weight 0.10000E+01 volume 0.11140E+01 ppm1 6.790 ppm2 6.660
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1228 and name HN ))
OR
(( segid " " and resid 1205 and name HN ))
)
6.000 6.000 0.000 peak 8483 weight 0.10000E+01 volume 0.21800E+00 ppm1 6.787 ppm2 8.331
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1230 and name HN ))
)
6.000 6.000 0.000 peak 8482 weight 0.10000E+01 volume 0.16900E+00 ppm1 6.791 ppm2 8.781
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1201 and name HA ))
)
6.000 6.000 0.000 peak 5134 weight 0.10000E+01 volume 0.20900E+00 ppm1 7.870 ppm2 5.070
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1180 and name HA ))
OR
(( segid " " and resid 1177 and name HA ))
)
6.000 6.000 0.000 peak 5135 weight 0.10000E+01 volume 0.16900E+00 ppm1 7.868 ppm2 4.694
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1177 and name HB1 ))
)
6.000 6.000 0.000 peak 5132 weight 0.10000E+01 volume 0.36700E+00 ppm1 7.870 ppm2 3.690
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1174 and name HG2 ))
)
6.000 6.000 0.000 peak 5145 weight 0.10000E+01 volume 0.25800E+00 ppm1 7.861 ppm2 1.969
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
OR
(( segid " " and resid 1174 and name HG1 ))
)
5.000 5.000 0.000 peak 5136 weight 0.10000E+01 volume 0.52700E+00 ppm1 7.867 ppm2 2.821
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
5.000 5.000 0.000 peak 5142 weight 0.10000E+01 volume 0.14050E+01 ppm1 7.865 ppm2 0.718
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1179 and name HG12))
)
3.300 3.300 0.000 peak 5140 weight 0.10000E+01 volume 0.17530E+01 ppm1 7.869 ppm2 0.996
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1179 and name HG11))
)
3.300 3.300 0.000 peak 5141 weight 0.10000E+01 volume 0.18510E+01 ppm1 7.868 ppm2 1.116
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1179 and name HB ))
)
5.000 5.000 0.000 peak 5139 weight 0.10000E+01 volume 0.49000E+00 ppm1 7.868 ppm2 1.787
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
5.000 5.000 0.000 peak 5138 weight 0.10000E+01 volume 0.52500E+00 ppm1 7.867 ppm2 2.211
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1201 and name HB2 ))
OR
(( segid " " and resid 1177 and name HB2 ))
OR
(( segid " " and resid 1176 and name HB1 ))
)
5.000 5.000 0.000 peak 5137 weight 0.10000E+01 volume 0.50000E+00 ppm1 7.868 ppm2 2.653
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1174 and name HA ))
)
5.000 5.000 0.000 peak 5133 weight 0.10000E+01 volume 0.89500E+00 ppm1 7.868 ppm2 3.480
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1178 and name HA ))
)
3.300 3.300 0.000 peak 5131 weight 0.10000E+01 volume 0.26090E+01 ppm1 7.866 ppm2 3.913
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1178 and name HD22))
OR
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
OR
(( segid " " and resid 1176 and name HD22))
)
6.000 6.000 0.000 peak 5128 weight 0.10000E+01 volume 0.30600E+00 ppm1 7.868 ppm2 6.760
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
OR
(( segid " " and resid 1178 and name HD21))
)
6.000 6.000 0.000 peak 5129 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.868 ppm2 7.155
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1174 and name HN ))
)
6.000 6.000 0.000 peak 5146 weight 0.10000E+01 volume 0.26400E+00 ppm1 7.866 ppm2 7.449
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
OR
(( segid " " and resid 1174 and name HG2 ))
)
6.000 6.000 0.000 peak 5144 weight 0.10000E+01 volume 0.30600E+00 ppm1 7.861 ppm2 2.035
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
5.000 5.000 0.000 peak 5123 weight 0.10000E+01 volume 0.98100E+00 ppm1 8.982 ppm2 0.597
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 5121 weight 0.10000E+01 volume 0.70200E+00 ppm1 8.984 ppm2 0.995
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
OR
(( segid " " and resid 1179 and name HG12))
OR
(( segid " " and resid 1179 and name HG11))
)
5.000 5.000 0.000 peak 5120 weight 0.10000E+01 volume 0.47600E+00 ppm1 8.982 ppm2 1.071
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
3.300 3.300 0.000 peak 5119 weight 0.10000E+01 volume 0.25000E+01 ppm1 8.985 ppm2 1.205
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1202 and name HD2 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
6.000 6.000 0.000 peak 5118 weight 0.10000E+01 volume 0.16400E+00 ppm1 8.984 ppm2 1.340
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1226 and name HB2 ))
OR
(( segid " " and resid 1214 and name HB2 ))
OR
(( segid " " and resid 1203 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
)
6.000 6.000 0.000 peak 5117 weight 0.10000E+01 volume 0.18900E+00 ppm1 8.985 ppm2 1.634
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1179 and name HB ))
)
3.300 3.300 0.000 peak 5097 weight 0.10000E+01 volume 0.19070E+01 ppm1 8.984 ppm2 1.789
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
5.000 5.000 0.000 peak 5115 weight 0.10000E+01 volume 0.44900E+00 ppm1 8.984 ppm2 2.079
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1214 and name HB1 ))
OR
(( segid " " and resid 1198 and name HG1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
6.000 6.000 0.000 peak 5116 weight 0.10000E+01 volume 0.14000E+00 ppm1 8.981 ppm2 2.214
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
OR
(( segid " " and resid 1177 and name HB2 ))
)
6.000 6.000 0.000 peak 5114 weight 0.10000E+01 volume 0.15200E+00 ppm1 8.987 ppm2 2.670
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1226 and name HD2 ))
OR
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1199 and name HB2 ))
OR
(( segid " " and resid 1174 and name HG1 ))
)
6.000 6.000 0.000 peak 5113 weight 0.10000E+01 volume 0.29100E+00 ppm1 8.985 ppm2 2.885
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1199 and name HB1 ))
)
5.000 5.000 0.000 peak 5112 weight 0.10000E+01 volume 0.41700E+00 ppm1 8.985 ppm2 3.121
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1226 and name HD1 ))
OR
(( segid " " and resid 1174 and name HA ))
)
6.000 6.000 0.000 peak 5111 weight 0.10000E+01 volume 0.83000E-01 ppm1 8.984 ppm2 3.496
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1184 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
OR
(( segid " " and resid 1175 and name HA ))
)
6.000 6.000 0.000 peak 5110 weight 0.10000E+01 volume 0.18000E+00 ppm1 8.984 ppm2 3.942
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1227 and name HA ))
OR
(( segid " " and resid 1200 and name HA ))
)
6.000 6.000 0.000 peak 5109 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.984 ppm2 4.576
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1180 and name HA ))
)
5.000 5.000 0.000 peak 5108 weight 0.10000E+01 volume 0.83500E+00 ppm1 8.984 ppm2 4.707
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1201 and name HA ))
)
5.000 5.000 0.000 peak 5107 weight 0.10000E+01 volume 0.71900E+00 ppm1 8.984 ppm2 5.086
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
OR
(( segid " " and resid 1178 and name HD21))
)
5.000 5.000 0.000 peak 5104 weight 0.10000E+01 volume 0.50400E+00 ppm1 8.983 ppm2 7.143
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1203 and name HN ))
OR
(( segid " " and resid 1181 and name HN ))
)
6.000 6.000 0.000 peak 5098 weight 0.10000E+01 volume 0.30700E+00 ppm1 8.984 ppm2 8.333
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1201 and name HN ))
OR
(( segid " " and resid 1199 and name HN ))
OR
(( segid " " and resid 1183 and name HN ))
)
6.000 6.000 0.000 peak 5105 weight 0.10000E+01 volume 0.90000E-01 ppm1 8.983 ppm2 8.437
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
OR
(( segid " " and resid 1183 and name HH2 ))
OR
(( segid " " and resid 1183 and name HZ3 ))
)
6.000 6.000 0.000 peak 5081 weight 0.10000E+01 volume 0.33700E+00 ppm1 8.085 ppm2 7.142
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
5.000 5.000 0.000 peak 5096 weight 0.10000E+01 volume 0.83500E+00 ppm1 8.084 ppm2 0.472
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
OR
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 5095 weight 0.10000E+01 volume 0.53900E+00 ppm1 8.085 ppm2 0.597
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 5093 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.084 ppm2 0.763
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 5094 weight 0.10000E+01 volume 0.36800E+00 ppm1 8.083 ppm2 0.847
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1182 and name HB2 ))
)
3.300 3.300 0.000 peak 5092 weight 0.10000E+01 volume 0.17300E+01 ppm1 8.083 ppm2 1.120
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 5091 weight 0.10000E+01 volume 0.12500E+01 ppm1 8.083 ppm2 1.180
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 5090 weight 0.10000E+01 volume 0.49600E+00 ppm1 8.083 ppm2 1.341
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1181 and name HB1 ))
)
5.000 5.000 0.000 peak 5089 weight 0.10000E+01 volume 0.40600E+00 ppm1 8.084 ppm2 1.513
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
)
6.000 6.000 0.000 peak 5088 weight 0.10000E+01 volume 0.30400E+00 ppm1 8.082 ppm2 1.601
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 5087 weight 0.10000E+01 volume 0.28500E+00 ppm1 8.083 ppm2 2.086
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1181 and name HA ))
)
3.300 3.300 0.000 peak 5085 weight 0.10000E+01 volume 0.18530E+01 ppm1 8.082 ppm2 4.333
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1181 and name HN ))
)
6.000 6.000 0.000 peak 5080 weight 0.10000E+01 volume 0.14400E+00 ppm1 8.081 ppm2 8.347
ASSI (
(( segid " " and resid 1182 and name HE ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 8049 weight 0.10000E+01 volume 0.48900E+00 ppm1 6.752 ppm2 0.768
ASSI (
(( segid " " and resid 1182 and name HE ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
5.000 5.000 0.000 peak 8048 weight 0.10000E+01 volume 0.85100E+00 ppm1 6.754 ppm2 0.867
ASSI (
(( segid " " and resid 1182 and name HE ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 8050 weight 0.10000E+01 volume 0.41100E+00 ppm1 6.755 ppm2 1.133
ASSI (
(( segid " " and resid 1182 and name HE ))
)(
(( segid " " and resid 1182 and name HG2 ))
)
6.000 6.000 0.000 peak 8042 weight 0.10000E+01 volume 0.36500E+00 ppm1 6.753 ppm2 0.585
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
6.000 6.000 0.000 peak 5079 weight 0.10000E+01 volume 0.16400E+00 ppm1 8.468 ppm2 0.477
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
OR
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 5078 weight 0.10000E+01 volume 0.49500E+00 ppm1 8.467 ppm2 0.585
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 5077 weight 0.10000E+01 volume 0.31300E+00 ppm1 8.465 ppm2 0.774
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
6.000 6.000 0.000 peak 5076 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.468 ppm2 0.864
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
OR
(( segid " " and resid 1182 and name HB2 ))
)
5.000 5.000 0.000 peak 5075 weight 0.10000E+01 volume 0.11550E+01 ppm1 8.469 ppm2 1.123
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
5.000 5.000 0.000 peak 5074 weight 0.10000E+01 volume 0.74200E+00 ppm1 8.469 ppm2 1.180
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 5073 weight 0.10000E+01 volume 0.40000E+00 ppm1 8.467 ppm2 1.337
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1181 and name HB1 ))
)
6.000 6.000 0.000 peak 5071 weight 0.10000E+01 volume 0.19300E+00 ppm1 8.471 ppm2 1.515
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
)
6.000 6.000 0.000 peak 5072 weight 0.10000E+01 volume 0.26900E+00 ppm1 8.469 ppm2 1.591
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)
3.300 3.300 0.000 peak 5070 weight 0.10000E+01 volume 0.19200E+01 ppm1 8.467 ppm2 3.233
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1199 and name HA ))
)
6.000 6.000 0.000 peak 5065 weight 0.10000E+01 volume 0.13800E+00 ppm1 8.466 ppm2 5.246
ASSI (
(( segid " " and resid 1183 and name HN ))
)(
(( segid " " and resid 1181 and name HA ))
)
6.000 6.000 0.000 peak 5068 weight 0.10000E+01 volume 0.28600E+00 ppm1 8.467 ppm2 4.336
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 5360 weight 0.10000E+01 volume 0.22500E+00 ppm1 10.076 ppm2 2.026
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
6.000 6.000 0.000 peak 5357 weight 0.10000E+01 volume 0.18000E+00 ppm1 10.079 ppm2 1.394
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 5365 weight 0.10000E+01 volume 0.71300E+00 ppm1 10.076 ppm2 0.583
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1182 and name HG1 ))
)
6.000 6.000 0.000 peak 5364 weight 0.10000E+01 volume 0.32700E+00 ppm1 10.078 ppm2 0.868
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
5.000 5.000 0.000 peak 5363 weight 0.10000E+01 volume 0.55900E+00 ppm1 10.077 ppm2 1.138
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1182 and name HD2 ))
)
5.000 5.000 0.000 peak 5362 weight 0.10000E+01 volume 0.99200E+00 ppm1 10.074 ppm2 2.530
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1182 and name HD1 ))
)
5.000 5.000 0.000 peak 5374 weight 0.10000E+01 volume 0.60300E+00 ppm1 10.076 ppm2 2.719
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)
5.000 5.000 0.000 peak 5375 weight 0.10000E+01 volume 0.50100E+00 ppm1 10.074 ppm2 3.238
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1182 and name HA ))
)
6.000 6.000 0.000 peak 5372 weight 0.10000E+01 volume 0.79000E-01 ppm1 10.077 ppm2 3.786
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1183 and name HH2 ))
OR
(( segid " " and resid 1183 and name HZ3 ))
)
5.000 5.000 0.000 peak 5367 weight 0.10000E+01 volume 0.10360E+01 ppm1 10.077 ppm2 7.163
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1183 and name HZ2 ))
)
2.700 2.700 0.000 peak 5368 weight 0.10000E+01 volume 0.43710E+01 ppm1 10.073 ppm2 7.408
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1183 and name HN ))
)
6.000 6.000 0.000 peak 5370 weight 0.10000E+01 volume 0.32800E+00 ppm1 10.074 ppm2 8.465
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1198 and name HB2 ))
OR
(( segid " " and resid 1188 and name HB1 ))
)
5.000 5.000 0.000 peak 5358 weight 0.10000E+01 volume 0.49000E+00 ppm1 10.073 ppm2 1.763
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
OR
(( segid " " and resid 1182 and name HG2 ))
)
6.000 6.000 0.000 peak 5060 weight 0.10000E+01 volume 0.26100E+00 ppm1 7.566 ppm2 0.603
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1198 and name HG2 ))
OR
(( segid " " and resid 1186 and name HD2 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
6.000 6.000 0.000 peak 5054 weight 0.10000E+01 volume 0.11200E+00 ppm1 7.560 ppm2 2.011
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 5059 weight 0.10000E+01 volume 0.24800E+00 ppm1 7.562 ppm2 0.811
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 5056 weight 0.10000E+01 volume 0.58200E+00 ppm1 7.563 ppm2 1.390
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1181 and name HG ))
OR
(( segid " " and resid 1181 and name HB1 ))
)
6.000 6.000 0.000 peak 5055 weight 0.10000E+01 volume 0.14400E+00 ppm1 7.561 ppm2 1.555
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1183 and name HD1 ))
)
6.000 6.000 0.000 peak 5046 weight 0.10000E+01 volume 0.37900E+00 ppm1 7.564 ppm2 7.303
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1184 and name HB ))
)
5.000 5.000 0.000 peak 5051 weight 0.10000E+01 volume 0.13750E+01 ppm1 7.565 ppm2 4.180
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 5058 weight 0.10000E+01 volume 0.18900E+00 ppm1 7.558 ppm2 0.759
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)
5.000 5.000 0.000 peak 5053 weight 0.10000E+01 volume 0.10440E+01 ppm1 7.562 ppm2 3.225
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1183 and name HA ))
)
6.000 6.000 0.000 peak 5034 weight 0.10000E+01 volume 0.35300E+00 ppm1 8.257 ppm2 4.858
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 5041 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.253 ppm2 0.782
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
2.700 2.700 0.000 peak 5039 weight 0.10000E+01 volume 0.42330E+01 ppm1 8.252 ppm2 1.397
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)
6.000 6.000 0.000 peak 5042 weight 0.10000E+01 volume 0.17300E+00 ppm1 8.252 ppm2 3.231
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1184 and name HA ))
)
3.300 3.300 0.000 peak 5036 weight 0.10000E+01 volume 0.17750E+01 ppm1 8.254 ppm2 3.951
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1185 and name HA ))
OR
(( segid " " and resid 1184 and name HB ))
)
3.300 3.300 0.000 peak 5037 weight 0.10000E+01 volume 0.17540E+01 ppm1 8.255 ppm2 4.233
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
OR
(( segid " " and resid 1186 and name HD2 ))
OR
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
6.000 6.000 0.000 peak 5026 weight 0.10000E+01 volume 0.32800E+00 ppm1 7.723 ppm2 2.011
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1184 and name HA ))
OR
(( segid " " and resid 1175 and name HA ))
)
6.000 6.000 0.000 peak 5024 weight 0.10000E+01 volume 0.15600E+00 ppm1 7.722 ppm2 3.945
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
OR
(( segid " " and resid 1179 and name HG11))
)
6.000 6.000 0.000 peak 5031 weight 0.10000E+01 volume 0.12600E+00 ppm1 7.719 ppm2 1.094
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
)
3.300 3.300 0.000 peak 5030 weight 0.10000E+01 volume 0.26250E+01 ppm1 7.719 ppm2 1.385
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1186 and name HG1 ))
OR
(( segid " " and resid 1181 and name HG ))
OR
(( segid " " and resid 1181 and name HB1 ))
)
5.000 5.000 0.000 peak 5029 weight 0.10000E+01 volume 0.47100E+00 ppm1 7.721 ppm2 1.565
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1188 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB2 ))
)
3.300 3.300 0.000 peak 5028 weight 0.10000E+01 volume 0.18030E+01 ppm1 7.719 ppm2 1.712
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1186 and name HB1 ))
)
5.000 5.000 0.000 peak 5027 weight 0.10000E+01 volume 0.14680E+01 ppm1 7.721 ppm2 1.800
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1183 and name HB2 ))
OR
(( segid " " and resid 1183 and name HB1 ))
)
6.000 6.000 0.000 peak 5025 weight 0.10000E+01 volume 0.24200E+00 ppm1 7.719 ppm2 3.243
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1185 and name HA ))
)
2.700 2.700 0.000 peak 5023 weight 0.10000E+01 volume 0.38100E+01 ppm1 7.721 ppm2 4.244
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 5006 weight 0.10000E+01 volume 0.10420E+01 ppm1 8.040 ppm2 1.373
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1186 and name HG1 ))
OR
(( segid " " and resid 1181 and name HG ))
)
5.000 5.000 0.000 peak 5007 weight 0.10000E+01 volume 0.42900E+00 ppm1 8.042 ppm2 1.576
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1189 and name HB1 ))
OR
(( segid " " and resid 1188 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB2 ))
OR
(( segid " " and resid 1171 and name HG2 ))
)
5.000 5.000 0.000 peak 5008 weight 0.10000E+01 volume 0.79400E+00 ppm1 8.043 ppm2 1.719
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1189 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
5.000 5.000 0.000 peak 5009 weight 0.10000E+01 volume 0.87500E+00 ppm1 8.042 ppm2 1.811
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1187 and name HA ))
)
3.300 3.300 0.000 peak 5017 weight 0.10000E+01 volume 0.30320E+01 ppm1 8.042 ppm2 4.137
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1186 and name HA ))
)
3.300 3.300 0.000 peak 5015 weight 0.10000E+01 volume 0.26410E+01 ppm1 8.041 ppm2 4.258
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1189 and name HA ))
OR
(( segid " " and resid 1188 and name HA ))
OR
(( segid " " and resid 1181 and name HA ))
OR
(( segid " " and resid 1176 and name HA ))
)
6.000 6.000 0.000 peak 5016 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.041 ppm2 4.378
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 5014 weight 0.10000E+01 volume 0.21300E+00 ppm1 8.042 ppm2 0.783
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1171 and name HG1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
6.000 6.000 0.000 peak 5001 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.039 ppm2 1.825
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1188 and name HA ))
)
5.000 5.000 0.000 peak 4991 weight 0.10000E+01 volume 0.13970E+01 ppm1 8.045 ppm2 4.371
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
6.000 6.000 0.000 peak 5004 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.044 ppm2 0.780
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1188 and name HG2 ))
)
5.000 5.000 0.000 peak 5003 weight 0.10000E+01 volume 0.63100E+00 ppm1 8.046 ppm2 1.293
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1186 and name HG2 ))
OR
(( segid " " and resid 1185 and name HB3 ))
OR
(( segid " " and resid 1185 and name HB2 ))
OR
(( segid " " and resid 1185 and name HB1 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
5.000 5.000 0.000 peak 5002 weight 0.10000E+01 volume 0.10150E+01 ppm1 8.047 ppm2 1.378
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
)
5.000 5.000 0.000 peak 4999 weight 0.10000E+01 volume 0.16460E+01 ppm1 8.045 ppm2 1.586
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1189 and name HB1 ))
OR
(( segid " " and resid 1188 and name HB1 ))
OR
(( segid " " and resid 1186 and name HB2 ))
)
5.000 5.000 0.000 peak 5000 weight 0.10000E+01 volume 0.10410E+01 ppm1 8.047 ppm2 1.727
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1187 and name HB2 ))
OR
(( segid " " and resid 1187 and name HB1 ))
)
5.000 5.000 0.000 peak 4998 weight 0.10000E+01 volume 0.68300E+00 ppm1 8.044 ppm2 1.990
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1186 and name HA ))
OR
(( segid " " and resid 1185 and name HA ))
)
5.000 5.000 0.000 peak 4993 weight 0.10000E+01 volume 0.47700E+00 ppm1 8.045 ppm2 4.230
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1188 and name HE2 ))
OR
(( segid " " and resid 1188 and name HE1 ))
OR
(( segid " " and resid 1186 and name HE2 ))
OR
(( segid " " and resid 1186 and name HE1 ))
)
6.000 6.000 0.000 peak 4995 weight 0.10000E+01 volume 0.12400E+00 ppm1 8.044 ppm2 2.925
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1189 and name HB1 ))
OR
(( segid " " and resid 1188 and name HB1 ))
)
3.300 3.300 0.000 peak 4983 weight 0.10000E+01 volume 0.26100E+01 ppm1 8.428 ppm2 1.735
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1189 and name HB2 ))
OR
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
)
3.300 3.300 0.000 peak 4984 weight 0.10000E+01 volume 0.23120E+01 ppm1 8.429 ppm2 1.596
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
)
5.000 5.000 0.000 peak 4986 weight 0.10000E+01 volume 0.53000E+00 ppm1 8.433 ppm2 0.753
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1189 and name HD13))
OR
(( segid " " and resid 1189 and name HD12))
OR
(( segid " " and resid 1189 and name HD11))
)
5.000 5.000 0.000 peak 4985 weight 0.10000E+01 volume 0.50100E+00 ppm1 8.432 ppm2 0.899
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1188 and name HG2 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
6.000 6.000 0.000 peak 4987 weight 0.10000E+01 volume 0.36400E+00 ppm1 8.430 ppm2 1.305
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1186 and name HB1 ))
OR
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
6.000 6.000 0.000 peak 4982 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.435 ppm2 1.857
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1189 and name HA ))
OR
(( segid " " and resid 1188 and name HA ))
)
3.300 3.300 0.000 peak 4981 weight 0.10000E+01 volume 0.28390E+01 ppm1 8.437 ppm2 4.370
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1190 and name HE2 ))
OR
(( segid " " and resid 1190 and name HE1 ))
)
6.000 6.000 0.000 peak 4978 weight 0.10000E+01 volume 0.13100E+00 ppm1 8.436 ppm2 6.711
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
6.000 6.000 0.000 peak 4979 weight 0.10000E+01 volume 0.20600E+00 ppm1 8.436 ppm2 6.825
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
6.000 6.000 0.000 peak 4973 weight 0.10000E+01 volume 0.11300E+00 ppm1 7.364 ppm2 0.416
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1169 and name HD13))
OR
(( segid " " and resid 1169 and name HD12))
OR
(( segid " " and resid 1169 and name HD11))
)
6.000 6.000 0.000 peak 4972 weight 0.10000E+01 volume 0.26000E+00 ppm1 7.368 ppm2 0.662
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
)
5.000 5.000 0.000 peak 4971 weight 0.10000E+01 volume 0.48400E+00 ppm1 7.370 ppm2 0.758
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1188 and name HG1 ))
OR
(( segid " " and resid 1181 and name HB2 ))
OR
(( segid " " and resid 1169 and name HG11))
OR
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 4969 weight 0.10000E+01 volume 0.36300E+00 ppm1 7.366 ppm2 1.367
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1189 and name HG ))
OR
(( segid " " and resid 1189 and name HB2 ))
)
5.000 5.000 0.000 peak 4968 weight 0.10000E+01 volume 0.10500E+01 ppm1 7.368 ppm2 1.531
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1189 and name HB2 ))
)
5.000 5.000 0.000 peak 4967 weight 0.10000E+01 volume 0.10020E+01 ppm1 7.367 ppm2 1.597
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1189 and name HB1 ))
OR
(( segid " " and resid 1169 and name HB ))
)
5.000 5.000 0.000 peak 4966 weight 0.10000E+01 volume 0.12020E+01 ppm1 7.368 ppm2 1.737
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1187 and name HA ))
OR
(( segid " " and resid 1169 and name HA ))
OR
(( segid " " and resid 1168 and name HA ))
)
6.000 6.000 0.000 peak 4962 weight 0.10000E+01 volume 0.13100E+00 ppm1 7.367 ppm2 4.171
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1190 and name HD1 ))
)
5.000 5.000 0.000 peak 4959 weight 0.10000E+01 volume 0.91200E+00 ppm1 7.367 ppm2 6.832
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1169 and name HN ))
)
6.000 6.000 0.000 peak 4957 weight 0.10000E+01 volume 0.15200E+00 ppm1 7.370 ppm2 8.201
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 4965 weight 0.10000E+01 volume 0.14550E+01 ppm1 7.363 ppm2 2.739
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1188 and name HN ))
)
6.000 6.000 0.000 peak 4958 weight 0.10000E+01 volume 0.98000E-01 ppm1 7.365 ppm2 8.050
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG21))
OR
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
6.000 6.000 0.000 peak 4952 weight 0.10000E+01 volume 0.18700E+00 ppm1 8.837 ppm2 0.417
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
5.000 5.000 0.000 peak 4953 weight 0.10000E+01 volume 0.45400E+00 ppm1 8.838 ppm2 0.664
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1189 and name HD23))
OR
(( segid " " and resid 1189 and name HD22))
OR
(( segid " " and resid 1189 and name HD21))
OR
(( segid " " and resid 1181 and name HD13))
OR
(( segid " " and resid 1181 and name HD12))
OR
(( segid " " and resid 1181 and name HD11))
OR
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
6.000 6.000 0.000 peak 4954 weight 0.10000E+01 volume 0.31600E+00 ppm1 8.838 ppm2 0.815
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1169 and name HG11))
OR
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 4951 weight 0.10000E+01 volume 0.28400E+00 ppm1 8.839 ppm2 1.361
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1197 and name HB ))
OR
(( segid " " and resid 1192 and name HB2 ))
OR
(( segid " " and resid 1189 and name HG ))
OR
(( segid " " and resid 1189 and name HB2 ))
OR
(( segid " " and resid 1166 and name HG1 ))
)
6.000 6.000 0.000 peak 4950 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.836 ppm2 1.515
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1188 and name HD2 ))
OR
(( segid " " and resid 1188 and name HD1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
OR
(( segid " " and resid 1181 and name HG ))
OR
(( segid " " and resid 1169 and name HB ))
)
6.000 6.000 0.000 peak 4949 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.837 ppm2 1.651
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB2 ))
)
5.000 5.000 0.000 peak 4945 weight 0.10000E+01 volume 0.14480E+01 ppm1 8.838 ppm2 2.727
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1190 and name HB2 ))
OR
(( segid " " and resid 1190 and name HB1 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
3.300 3.300 0.000 peak 4944 weight 0.10000E+01 volume 0.23080E+01 ppm1 8.839 ppm2 2.786
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1169 and name HA ))
OR
(( segid " " and resid 1168 and name HA ))
)
5.000 5.000 0.000 peak 4941 weight 0.10000E+01 volume 0.59300E+00 ppm1 8.839 ppm2 4.191
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1167 and name HA ))
OR
(( segid " " and resid 1166 and name HA ))
)
6.000 6.000 0.000 peak 4939 weight 0.10000E+01 volume 0.29600E+00 ppm1 8.839 ppm2 4.818
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1190 and name HD2 ))
OR
(( segid " " and resid 1190 and name HD1 ))
)
5.000 5.000 0.000 peak 4937 weight 0.10000E+01 volume 0.55000E+00 ppm1 8.841 ppm2 6.829
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
OR
(( segid " " and resid 1141 and name HB1 ))
)
6.000 6.000 0.000 peak 4947 weight 0.10000E+01 volume 0.25900E+00 ppm1 8.837 ppm2 2.092
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG22))
OR
(( segid " " and resid 1169 and name HG21))
OR
(( segid " " and resid 1169 and name HG12))
)
6.000 6.000 0.000 peak 4955 weight 0.10000E+01 volume 0.13100E+00 ppm1 8.832 ppm2 0.981
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 4925 weight 0.10000E+01 volume 0.37900E+00 ppm1 8.771 ppm2 0.606
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1192 and name HB2 ))
)
3.300 3.300 0.000 peak 4924 weight 0.10000E+01 volume 0.18550E+01 ppm1 8.769 ppm2 1.441
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1192 and name HB1 ))
)
2.700 2.700 0.000 peak 4923 weight 0.10000E+01 volume 0.38840E+01 ppm1 8.767 ppm2 1.635
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
3.300 3.300 0.000 peak 4922 weight 0.10000E+01 volume 0.17730E+01 ppm1 8.770 ppm2 2.123
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HG1 ))
OR
(( segid " " and resid 1166 and name HB1 ))
)
5.000 5.000 0.000 peak 4921 weight 0.10000E+01 volume 0.11720E+01 ppm1 8.769 ppm2 2.227
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1218 and name HB1 ))
OR
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
5.000 5.000 0.000 peak 4920 weight 0.10000E+01 volume 0.96000E+00 ppm1 8.769 ppm2 3.114
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1191 and name HB2 ))
)
5.000 5.000 0.000 peak 4919 weight 0.10000E+01 volume 0.13830E+01 ppm1 8.769 ppm2 3.418
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1191 and name HB1 ))
)
5.000 5.000 0.000 peak 4918 weight 0.10000E+01 volume 0.13230E+01 ppm1 8.768 ppm2 3.528
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1167 and name HN ))
)
6.000 6.000 0.000 peak 4930 weight 0.10000E+01 volume 0.14800E+00 ppm1 8.769 ppm2 9.429
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
OR
(( segid " " and resid 1141 and name HD13))
OR
(( segid " " and resid 1141 and name HD12))
OR
(( segid " " and resid 1141 and name HD11))
)
6.000 6.000 0.000 peak 4926 weight 0.10000E+01 volume 0.10900E+00 ppm1 8.769 ppm2 0.387
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1194 and name HA1 ))
OR
(( segid " " and resid 1189 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
)
6.000 6.000 0.000 peak 4928 weight 0.10000E+01 volume 0.15200E+00 ppm1 8.767 ppm2 4.367
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
OR
(( segid " " and resid 1141 and name HD23))
OR
(( segid " " and resid 1141 and name HD22))
OR
(( segid " " and resid 1141 and name HD21))
)
6.000 6.000 0.000 peak 4913 weight 0.10000E+01 volume 0.14600E+00 ppm1 9.055 ppm2 0.630
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
5.000 5.000 0.000 peak 4914 weight 0.10000E+01 volume 0.67600E+00 ppm1 9.054 ppm2 0.393
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1192 and name HB2 ))
OR
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 4912 weight 0.10000E+01 volume 0.34100E+00 ppm1 9.055 ppm2 1.450
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
5.000 5.000 0.000 peak 4911 weight 0.10000E+01 volume 0.10780E+01 ppm1 9.055 ppm2 1.652
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1166 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
6.000 6.000 0.000 peak 4910 weight 0.10000E+01 volume 0.36600E+00 ppm1 9.054 ppm2 1.787
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
OR
(( segid " " and resid 1166 and name HB1 ))
OR
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
5.000 5.000 0.000 peak 4909 weight 0.10000E+01 volume 0.49600E+00 ppm1 9.053 ppm2 2.163
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
OR
(( segid " " and resid 1192 and name HD2 ))
OR
(( segid " " and resid 1192 and name HD1 ))
)
6.000 6.000 0.000 peak 4908 weight 0.10000E+01 volume 0.23000E+00 ppm1 9.054 ppm2 3.103
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 4906 weight 0.10000E+01 volume 0.59400E+00 ppm1 9.053 ppm2 3.650
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1194 and name HA1 ))
OR
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
)
6.000 6.000 0.000 peak 4905 weight 0.10000E+01 volume 0.24900E+00 ppm1 9.054 ppm2 4.368
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1220 and name HN ))
OR
(( segid " " and resid 1219 and name HN ))
)
6.000 6.000 0.000 peak 4899 weight 0.10000E+01 volume 0.12200E+00 ppm1 9.051 ppm2 8.908
ASSI (
(( segid " " and resid 1193 and name HN ))
)(
(( segid " " and resid 1194 and name HN ))
)
6.000 6.000 0.000 peak 4898 weight 0.10000E+01 volume 0.21400E+00 ppm1 9.049 ppm2 9.162
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
6.000 6.000 0.000 peak 4894 weight 0.10000E+01 volume 0.17400E+00 ppm1 9.151 ppm2 0.621
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
6.000 6.000 0.000 peak 4892 weight 0.10000E+01 volume 0.10100E+00 ppm1 9.150 ppm2 1.639
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
OR
(( segid " " and resid 1143 and name HG2 ))
OR
(( segid " " and resid 1143 and name HG1 ))
)
6.000 6.000 0.000 peak 4891 weight 0.10000E+01 volume 0.27000E+00 ppm1 9.148 ppm2 2.128
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1195 and name HG1 ))
OR
(( segid " " and resid 1166 and name HB1 ))
)
6.000 6.000 0.000 peak 4890 weight 0.10000E+01 volume 0.13700E+00 ppm1 9.148 ppm2 2.230
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 4888 weight 0.10000E+01 volume 0.43600E+00 ppm1 9.148 ppm2 3.069
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1219 and name HB1 ))
OR
(( segid " " and resid 1191 and name HB2 ))
)
6.000 6.000 0.000 peak 4887 weight 0.10000E+01 volume 0.12900E+00 ppm1 9.145 ppm2 3.406
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1194 and name HA2 ))
OR
(( segid " " and resid 1193 and name HB ))
)
5.000 5.000 0.000 peak 4886 weight 0.10000E+01 volume 0.16480E+01 ppm1 9.145 ppm2 3.561
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1193 and name HA ))
)
3.300 3.300 0.000 peak 4885 weight 0.10000E+01 volume 0.26270E+01 ppm1 9.149 ppm2 3.649
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
5.000 5.000 0.000 peak 4884 weight 0.10000E+01 volume 0.11450E+01 ppm1 9.147 ppm2 4.395
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1217 and name HA ))
OR
(( segid " " and resid 1167 and name HA ))
)
6.000 6.000 0.000 peak 4882 weight 0.10000E+01 volume 0.17300E+00 ppm1 9.148 ppm2 4.780
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1219 and name HE3 ))
)
6.000 6.000 0.000 peak 4880 weight 0.10000E+01 volume 0.34100E+00 ppm1 9.146 ppm2 7.579
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1220 and name HN ))
OR
(( segid " " and resid 1219 and name HN ))
OR
(( segid " " and resid 1197 and name HN ))
)
6.000 6.000 0.000 peak 4878 weight 0.10000E+01 volume 0.28500E+00 ppm1 9.147 ppm2 8.910
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 4875 weight 0.10000E+01 volume 0.35600E+00 ppm1 8.022 ppm2 0.392
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1164 and name HG ))
)
6.000 6.000 0.000 peak 4876 weight 0.10000E+01 volume 0.22200E+00 ppm1 8.022 ppm2 0.602
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
5.000 5.000 0.000 peak 4873 weight 0.10000E+01 volume 0.70800E+00 ppm1 8.022 ppm2 1.025
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1192 and name HB2 ))
)
6.000 6.000 0.000 peak 4872 weight 0.10000E+01 volume 0.28200E+00 ppm1 8.022 ppm2 1.436
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1192 and name HB1 ))
OR
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
5.000 5.000 0.000 peak 4871 weight 0.10000E+01 volume 0.43000E+00 ppm1 8.021 ppm2 1.636
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1166 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB1 ))
)
6.000 6.000 0.000 peak 4870 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.020 ppm2 1.811
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
2.700 2.700 0.000 peak 4869 weight 0.10000E+01 volume 0.42690E+01 ppm1 8.021 ppm2 2.118
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HG1 ))
)
3.300 3.300 0.000 peak 4868 weight 0.10000E+01 volume 0.17390E+01 ppm1 8.021 ppm2 2.213
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 4867 weight 0.10000E+01 volume 0.41700E+00 ppm1 8.021 ppm2 2.787
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 4866 weight 0.10000E+01 volume 0.57900E+00 ppm1 8.021 ppm2 3.069
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1219 and name HB1 ))
OR
(( segid " " and resid 1191 and name HB2 ))
)
6.000 6.000 0.000 peak 4865 weight 0.10000E+01 volume 0.18100E+00 ppm1 8.021 ppm2 3.420
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1194 and name HA2 ))
OR
(( segid " " and resid 1193 and name HB ))
OR
(( segid " " and resid 1191 and name HB1 ))
)
5.000 5.000 0.000 peak 4864 weight 0.10000E+01 volume 0.12960E+01 ppm1 8.024 ppm2 3.567
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 4863 weight 0.10000E+01 volume 0.95300E+00 ppm1 8.024 ppm2 3.658
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
3.300 3.300 0.000 peak 4862 weight 0.10000E+01 volume 0.23850E+01 ppm1 8.024 ppm2 4.409
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1217 and name HA ))
OR
(( segid " " and resid 1167 and name HA ))
)
6.000 6.000 0.000 peak 4860 weight 0.10000E+01 volume 0.14200E+00 ppm1 8.024 ppm2 4.772
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1193 and name HN ))
)
6.000 6.000 0.000 peak 4854 weight 0.10000E+01 volume 0.15900E+00 ppm1 8.020 ppm2 9.021
ASSI (
(( segid " " and resid 1195 and name HN ))
)(
(( segid " " and resid 1196 and name HN ))
)
5.000 5.000 0.000 peak 4850 weight 0.10000E+01 volume 0.81900E+00 ppm1 8.025 ppm2 8.478
ASSI (
(( segid " " and resid 1196 and name HN ))
)(
(( segid " " and resid 1217 and name HA ))
OR
(( segid " " and resid 1198 and name HA ))
)
6.000 6.000 0.000 peak 4764 weight 0.10000E+01 volume 0.39800E+00 ppm1 8.481 ppm2 4.778
ASSI (
(( segid " " and resid 1196 and name HN ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
2.700 2.700 0.000 peak 4769 weight 0.10000E+01 volume 0.34670E+01 ppm1 8.474 ppm2 2.116
ASSI (
(( segid " " and resid 1196 and name HN ))
)(
(( segid " " and resid 1195 and name HG2 ))
OR
(( segid " " and resid 1195 and name HG1 ))
)
5.000 5.000 0.000 peak 4771 weight 0.10000E+01 volume 0.13040E+01 ppm1 8.474 ppm2 2.213
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
5.000 5.000 0.000 peak 4849 weight 0.10000E+01 volume 0.73500E+00 ppm1 8.953 ppm2 0.124
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 4848 weight 0.10000E+01 volume 0.26500E+00 ppm1 8.953 ppm2 0.511
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
5.000 5.000 0.000 peak 4847 weight 0.10000E+01 volume 0.16950E+01 ppm1 8.952 ppm2 0.607
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1223 and name HG ))
OR
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
6.000 6.000 0.000 peak 4846 weight 0.10000E+01 volume 0.39900E+00 ppm1 8.952 ppm2 1.024
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
5.000 5.000 0.000 peak 4845 weight 0.10000E+01 volume 0.67500E+00 ppm1 8.952 ppm2 1.124
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)
5.000 5.000 0.000 peak 4844 weight 0.10000E+01 volume 0.40100E+00 ppm1 8.952 ppm2 1.429
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
6.000 6.000 0.000 peak 4842 weight 0.10000E+01 volume 0.15300E+00 ppm1 8.952 ppm2 1.667
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)
3.300 3.300 0.000 peak 4841 weight 0.10000E+01 volume 0.23420E+01 ppm1 8.953 ppm2 3.634
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1197 and name HA ))
)
5.000 5.000 0.000 peak 4840 weight 0.10000E+01 volume 0.11230E+01 ppm1 8.953 ppm2 4.025
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
6.000 6.000 0.000 peak 4839 weight 0.10000E+01 volume 0.18000E+00 ppm1 8.952 ppm2 4.409
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1216 and name HA ))
)
6.000 6.000 0.000 peak 4837 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.952 ppm2 4.888
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1196 and name HA ))
)
2.700 2.700 0.000 peak 4835 weight 0.10000E+01 volume 0.41250E+01 ppm1 8.951 ppm2 5.124
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1215 and name HA ))
OR
(( segid " " and resid 1199 and name HA ))
)
5.000 5.000 0.000 peak 4833 weight 0.10000E+01 volume 0.44400E+00 ppm1 8.950 ppm2 5.256
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1218 and name HN ))
OR
(( segid " " and resid 1217 and name HN ))
)
5.000 5.000 0.000 peak 4834 weight 0.10000E+01 volume 0.48400E+00 ppm1 8.952 ppm2 8.278
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
6.000 6.000 0.000 peak 4830 weight 0.10000E+01 volume 0.18300E+00 ppm1 7.957 ppm2 0.475
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1182 and name HG2 ))
)
5.000 5.000 0.000 peak 4829 weight 0.10000E+01 volume 0.69200E+00 ppm1 7.958 ppm2 0.605
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
OR
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
)
6.000 6.000 0.000 peak 4828 weight 0.10000E+01 volume 0.17600E+00 ppm1 7.957 ppm2 1.133
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1197 and name HB ))
OR
(( segid " " and resid 1181 and name HB1 ))
)
6.000 6.000 0.000 peak 4827 weight 0.10000E+01 volume 0.35500E+00 ppm1 7.957 ppm2 1.524
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 4824 weight 0.10000E+01 volume 0.38800E+00 ppm1 7.955 ppm2 2.030
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1198 and name HG1 ))
OR
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
5.000 5.000 0.000 peak 4823 weight 0.10000E+01 volume 0.45700E+00 ppm1 7.955 ppm2 2.147
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1198 and name HA ))
)
5.000 5.000 0.000 peak 4819 weight 0.10000E+01 volume 0.55100E+00 ppm1 7.959 ppm2 4.762
ASSI (
(( segid " " and resid 1198 and name HN ))
)(
(( segid " " and resid 1215 and name HA ))
OR
(( segid " " and resid 1199 and name HA ))
)
6.000 6.000 0.000 peak 4818 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.960 ppm2 5.253
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
6.000 6.000 0.000 peak 4815 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.436 ppm2 0.126
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
OR
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
6.000 6.000 0.000 peak 4814 weight 0.10000E+01 volume 0.13200E+00 ppm1 8.434 ppm2 0.511
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1223 and name HG ))
OR
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
OR
(( segid " " and resid 1179 and name HG11))
)
6.000 6.000 0.000 peak 4811 weight 0.10000E+01 volume 0.33700E+00 ppm1 8.430 ppm2 1.082
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
OR
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
OR
(( segid " " and resid 1179 and name HG11))
)
6.000 6.000 0.000 peak 4810 weight 0.10000E+01 volume 0.16200E+00 ppm1 8.433 ppm2 1.160
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)
6.000 6.000 0.000 peak 4812 weight 0.10000E+01 volume 0.11100E+00 ppm1 8.434 ppm2 1.428
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
5.000 5.000 0.000 peak 4809 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.434 ppm2 1.654
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1215 and name HB1 ))
OR
(( segid " " and resid 1198 and name HB2 ))
OR
(( segid " " and resid 1179 and name HB ))
)
5.000 5.000 0.000 peak 4808 weight 0.10000E+01 volume 0.51000E+00 ppm1 8.434 ppm2 1.778
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1198 and name HB1 ))
)
6.000 6.000 0.000 peak 4807 weight 0.10000E+01 volume 0.32400E+00 ppm1 8.433 ppm2 1.880
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 4806 weight 0.10000E+01 volume 0.37600E+00 ppm1 8.434 ppm2 2.036
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1214 and name HB1 ))
OR
(( segid " " and resid 1198 and name HG1 ))
)
6.000 6.000 0.000 peak 4804 weight 0.10000E+01 volume 0.38300E+00 ppm1 8.433 ppm2 2.223
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1226 and name HD2 ))
OR
(( segid " " and resid 1199 and name HB2 ))
)
5.000 5.000 0.000 peak 4803 weight 0.10000E+01 volume 0.57000E+00 ppm1 8.435 ppm2 2.891
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1199 and name HB1 ))
)
5.000 5.000 0.000 peak 4802 weight 0.10000E+01 volume 0.46000E+00 ppm1 8.433 ppm2 3.125
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1225 and name HA ))
)
6.000 6.000 0.000 peak 4801 weight 0.10000E+01 volume 0.15300E+00 ppm1 8.434 ppm2 4.146
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1215 and name HA ))
OR
(( segid " " and resid 1199 and name HA ))
)
5.000 5.000 0.000 peak 4794 weight 0.10000E+01 volume 0.13150E+01 ppm1 8.433 ppm2 5.253
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1198 and name HN ))
)
6.000 6.000 0.000 peak 4798 weight 0.10000E+01 volume 0.19900E+00 ppm1 8.434 ppm2 7.959
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1216 and name HN ))
)
6.000 6.000 0.000 peak 4797 weight 0.10000E+01 volume 0.22900E+00 ppm1 8.433 ppm2 8.749
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1199 and name HD2 ))
)
5.000 5.000 0.000 peak 4795 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.433 ppm2 7.146
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
3.300 3.300 0.000 peak 4792 weight 0.10000E+01 volume 0.24120E+01 ppm1 9.044 ppm2 0.598
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)
5.000 5.000 0.000 peak 4793 weight 0.10000E+01 volume 0.11610E+01 ppm1 9.045 ppm2 0.753
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
OR
(( segid " " and resid 1179 and name HG12))
OR
(( segid " " and resid 1179 and name HG11))
)
6.000 6.000 0.000 peak 4790 weight 0.10000E+01 volume 0.32300E+00 ppm1 9.045 ppm2 1.069
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1182 and name HB2 ))
OR
(( segid " " and resid 1182 and name HB1 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
5.000 5.000 0.000 peak 4789 weight 0.10000E+01 volume 0.58200E+00 ppm1 9.045 ppm2 1.192
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1226 and name HG2 ))
OR
(( segid " " and resid 1226 and name HB2 ))
OR
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
OR
(( segid " " and resid 1202 and name HB1 ))
OR
(( segid " " and resid 1188 and name HB2 ))
)
6.000 6.000 0.000 peak 4788 weight 0.10000E+01 volume 0.14700E+00 ppm1 9.047 ppm2 1.656
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1198 and name HB2 ))
OR
(( segid " " and resid 1188 and name HB1 ))
OR
(( segid " " and resid 1179 and name HB ))
)
6.000 6.000 0.000 peak 4787 weight 0.10000E+01 volume 0.34600E+00 ppm1 9.044 ppm2 1.788
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1200 and name HB ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
5.000 5.000 0.000 peak 4785 weight 0.10000E+01 volume 0.50600E+00 ppm1 9.044 ppm2 2.083
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1226 and name HB1 ))
OR
(( segid " " and resid 1214 and name HB1 ))
OR
(( segid " " and resid 1174 and name HB2 ))
OR
(( segid " " and resid 1174 and name HB1 ))
)
6.000 6.000 0.000 peak 4786 weight 0.10000E+01 volume 0.10300E+00 ppm1 9.044 ppm2 2.233
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1226 and name HD2 ))
OR
(( segid " " and resid 1199 and name HB2 ))
)
5.000 5.000 0.000 peak 4784 weight 0.10000E+01 volume 0.76100E+00 ppm1 9.045 ppm2 2.890
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1199 and name HB1 ))
)
5.000 5.000 0.000 peak 4783 weight 0.10000E+01 volume 0.12460E+01 ppm1 9.045 ppm2 3.124
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1181 and name HA ))
)
5.000 5.000 0.000 peak 4782 weight 0.10000E+01 volume 0.50100E+00 ppm1 9.045 ppm2 4.330
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1200 and name HA ))
)
5.000 5.000 0.000 peak 4781 weight 0.10000E+01 volume 0.69500E+00 ppm1 9.045 ppm2 4.567
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1180 and name HA ))
)
6.000 6.000 0.000 peak 4780 weight 0.10000E+01 volume 0.23500E+00 ppm1 9.047 ppm2 4.720
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1199 and name HA ))
)
3.300 3.300 0.000 peak 4779 weight 0.10000E+01 volume 0.29730E+01 ppm1 9.046 ppm2 5.253
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HE1 ))
OR
(( segid " " and resid 1199 and name HD2 ))
OR
(( segid " " and resid 1199 and name HD1 ))
)
5.000 5.000 0.000 peak 4778 weight 0.10000E+01 volume 0.79800E+00 ppm1 9.045 ppm2 7.145
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1201 and name HN ))
OR
(( segid " " and resid 1199 and name HN ))
OR
(( segid " " and resid 1183 and name HN ))
)
5.000 5.000 0.000 peak 4775 weight 0.10000E+01 volume 0.69300E+00 ppm1 9.048 ppm2 8.449
ASSI (
(( segid " " and resid 1200 and name HN ))
)(
(( segid " " and resid 1181 and name HD23))
OR
(( segid " " and resid 1181 and name HD22))
OR
(( segid " " and resid 1181 and name HD21))
)
6.000 6.000 0.000 peak 4791 weight 0.10000E+01 volume 0.36600E+00 ppm1 9.044 ppm2 0.469
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1200 and name HA ))
)
2.700 2.700 0.000 peak 4762 weight 0.10000E+01 volume 0.38570E+01 ppm1 8.445 ppm2 4.570
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
5.000 5.000 0.000 peak 4774 weight 0.10000E+01 volume 0.15020E+01 ppm1 8.448 ppm2 0.617
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
OR
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
5.000 5.000 0.000 peak 4773 weight 0.10000E+01 volume 0.16670E+01 ppm1 8.449 ppm2 0.763
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
OR
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
OR
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
OR
(( segid " " and resid 1179 and name HG12))
)
5.000 5.000 0.000 peak 4772 weight 0.10000E+01 volume 0.15750E+01 ppm1 8.450 ppm2 1.064
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1201 and name HB2 ))
)
3.300 3.300 0.000 peak 4768 weight 0.10000E+01 volume 0.22370E+01 ppm1 8.447 ppm2 2.661
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1205 and name HB1 ))
OR
(( segid " " and resid 1199 and name HB1 ))
)
6.000 6.000 0.000 peak 4766 weight 0.10000E+01 volume 0.32800E+00 ppm1 8.451 ppm2 3.169
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1200 and name HG23))
OR
(( segid " " and resid 1200 and name HG22))
OR
(( segid " " and resid 1200 and name HG21))
)
6.000 6.000 0.000 peak 4755 weight 0.10000E+01 volume 0.18500E+00 ppm1 7.927 ppm2 0.599
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
OR
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
5.000 5.000 0.000 peak 4754 weight 0.10000E+01 volume 0.87300E+00 ppm1 7.927 ppm2 0.722
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
3.300 3.300 0.000 peak 4751 weight 0.10000E+01 volume 0.24380E+01 ppm1 7.927 ppm2 1.022
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
5.000 5.000 0.000 peak 4752 weight 0.10000E+01 volume 0.10890E+01 ppm1 7.927 ppm2 1.176
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1202 and name HD2 ))
OR
(( segid " " and resid 1181 and name HB2 ))
)
6.000 6.000 0.000 peak 4753 weight 0.10000E+01 volume 0.33000E+00 ppm1 7.928 ppm2 1.325
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 4749 weight 0.10000E+01 volume 0.11420E+01 ppm1 7.928 ppm2 1.636
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1203 and name HB2 ))
OR
(( segid " " and resid 1179 and name HB ))
)
5.000 5.000 0.000 peak 4748 weight 0.10000E+01 volume 0.44700E+00 ppm1 7.928 ppm2 1.779
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1200 and name HB ))
)
6.000 6.000 0.000 peak 4750 weight 0.10000E+01 volume 0.15100E+00 ppm1 7.929 ppm2 2.132
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
5.000 5.000 0.000 peak 4745 weight 0.10000E+01 volume 0.94400E+00 ppm1 7.929 ppm2 2.642
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
5.000 5.000 0.000 peak 4746 weight 0.10000E+01 volume 0.84000E+00 ppm1 7.929 ppm2 2.687
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
6.000 6.000 0.000 peak 4747 weight 0.10000E+01 volume 0.27200E+00 ppm1 7.927 ppm2 2.825
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1205 and name HB1 ))
OR
(( segid " " and resid 1199 and name HB1 ))
)
6.000 6.000 0.000 peak 4742 weight 0.10000E+01 volume 0.38700E+00 ppm1 7.929 ppm2 3.182
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1200 and name HN ))
OR
(( segid " " and resid 1180 and name HN ))
)
6.000 6.000 0.000 peak 5101 weight 0.10000E+01 volume 0.38200E+00 ppm1 7.927 ppm2 9.006
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1201 and name HB1 ))
)
5.000 5.000 0.000 peak 4743 weight 0.10000E+01 volume 0.61600E+00 ppm1 7.927 ppm2 3.003
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1180 and name HN ))
)
5.000 5.000 0.000 peak 4734 weight 0.10000E+01 volume 0.41300E+00 ppm1 7.926 ppm2 8.983
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1203 and name HN ))
)
5.000 5.000 0.000 peak 4720 weight 0.10000E+01 volume 0.47200E+00 ppm1 7.925 ppm2 8.292
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1177 and name HB1 ))
)
6.000 6.000 0.000 peak 4741 weight 0.10000E+01 volume 0.24300E+00 ppm1 7.930 ppm2 3.692
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1205 and name HE2 ))
OR
(( segid " " and resid 1205 and name HE1 ))
OR
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 4736 weight 0.10000E+01 volume 0.45900E+00 ppm1 7.929 ppm2 6.646
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1202 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB2 ))
)
5.000 5.000 0.000 peak 4731 weight 0.10000E+01 volume 0.13800E+01 ppm1 8.290 ppm2 1.026
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1202 and name HG1 ))
OR
(( segid " " and resid 1180 and name HB3 ))
OR
(( segid " " and resid 1180 and name HB2 ))
OR
(( segid " " and resid 1180 and name HB1 ))
)
5.000 5.000 0.000 peak 4730 weight 0.10000E+01 volume 0.99900E+00 ppm1 8.289 ppm2 1.177
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1202 and name HD2 ))
)
6.000 6.000 0.000 peak 4732 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.286 ppm2 1.334
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1203 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB1 ))
)
3.300 3.300 0.000 peak 4729 weight 0.10000E+01 volume 0.24810E+01 ppm1 8.290 ppm2 1.621
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1203 and name HB2 ))
)
2.700 2.700 0.000 peak 4728 weight 0.10000E+01 volume 0.50120E+01 ppm1 8.291 ppm2 1.747
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1203 and name HB1 ))
)
2.700 2.700 0.000 peak 4727 weight 0.10000E+01 volume 0.37030E+01 ppm1 8.290 ppm2 1.854
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1202 and name HE2 ))
OR
(( segid " " and resid 1202 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
6.000 6.000 0.000 peak 4725 weight 0.10000E+01 volume 0.18900E+00 ppm1 8.290 ppm2 2.836
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1205 and name HB1 ))
OR
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
)
5.000 5.000 0.000 peak 4724 weight 0.10000E+01 volume 0.72200E+00 ppm1 8.290 ppm2 3.211
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1203 and name HA ))
)
3.300 3.300 0.000 peak 4722 weight 0.10000E+01 volume 0.20830E+01 ppm1 8.289 ppm2 4.079
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1204 and name HA1 ))
OR
(( segid " " and resid 1184 and name HB ))
)
6.000 6.000 0.000 peak 5468 weight 0.10000E+01 volume 0.29500E+00 ppm1 8.289 ppm2 4.202
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 4719 weight 0.10000E+01 volume 0.26100E+00 ppm1 8.290 ppm2 6.641
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1201 and name HN ))
)
5.000 5.000 0.000 peak 4716 weight 0.10000E+01 volume 0.43400E+00 ppm1 8.291 ppm2 8.401
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1200 and name HN ))
OR
(( segid " " and resid 1180 and name HN ))
)
6.000 6.000 0.000 peak 4715 weight 0.10000E+01 volume 0.10100E+00 ppm1 8.286 ppm2 9.022
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1205 and name HA ))
)
6.000 6.000 0.000 peak 4703 weight 0.10000E+01 volume 0.16200E+00 ppm1 8.879 ppm2 4.776
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1206 and name HG1 ))
OR
(( segid " " and resid 1203 and name HG2 ))
OR
(( segid " " and resid 1202 and name HB1 ))
)
5.000 5.000 0.000 peak 4711 weight 0.10000E+01 volume 0.71200E+00 ppm1 8.880 ppm2 1.605
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1231 and name HB1 ))
OR
(( segid " " and resid 1203 and name HG1 ))
OR
(( segid " " and resid 1203 and name HB2 ))
)
5.000 5.000 0.000 peak 4712 weight 0.10000E+01 volume 0.13880E+01 ppm1 8.880 ppm2 1.742
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1203 and name HB1 ))
)
5.000 5.000 0.000 peak 4713 weight 0.10000E+01 volume 0.63700E+00 ppm1 8.880 ppm2 1.853
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
6.000 6.000 0.000 peak 4710 weight 0.10000E+01 volume 0.10300E+00 ppm1 8.882 ppm2 2.644
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1205 and name HB1 ))
OR
(( segid " " and resid 1203 and name HD2 ))
OR
(( segid " " and resid 1203 and name HD1 ))
)
5.000 5.000 0.000 peak 4709 weight 0.10000E+01 volume 0.44200E+00 ppm1 8.881 ppm2 3.210
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1204 and name HA2 ))
)
3.300 3.300 0.000 peak 4708 weight 0.10000E+01 volume 0.22270E+01 ppm1 8.878 ppm2 3.585
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1202 and name HA ))
OR
(( segid " " and resid 1178 and name HA ))
)
6.000 6.000 0.000 peak 4707 weight 0.10000E+01 volume 0.31300E+00 ppm1 8.882 ppm2 3.954
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1203 and name HA ))
)
2.700 2.700 0.000 peak 4706 weight 0.10000E+01 volume 0.48960E+01 ppm1 8.879 ppm2 4.081
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1204 and name HA1 ))
)
3.300 3.300 0.000 peak 4705 weight 0.10000E+01 volume 0.22320E+01 ppm1 8.880 ppm2 4.223
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
6.000 6.000 0.000 peak 4702 weight 0.10000E+01 volume 0.29600E+00 ppm1 8.881 ppm2 6.639
ASSI (
(( segid " " and resid 1204 and name HN ))
)(
(( segid " " and resid 1205 and name HN ))
OR
(( segid " " and resid 1203 and name HN ))
)
3.300 3.300 0.000 peak 4701 weight 0.10000E+01 volume 0.27180E+01 ppm1 8.880 ppm2 8.292
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
6.000 6.000 0.000 peak 4699 weight 0.10000E+01 volume 0.13200E+00 ppm1 9.340 ppm2 1.184
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1230 and name HD2 ))
OR
(( segid " " and resid 1230 and name HD1 ))
OR
(( segid " " and resid 1230 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
OR
(( segid " " and resid 1207 and name HB2 ))
)
5.000 5.000 0.000 peak 4698 weight 0.10000E+01 volume 0.99300E+00 ppm1 9.334 ppm2 1.428
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1206 and name HG2 ))
)
3.300 3.300 0.000 peak 4697 weight 0.10000E+01 volume 0.18430E+01 ppm1 9.334 ppm2 1.561
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1206 and name HG2 ))
OR
(( segid " " and resid 1206 and name HG1 ))
)
3.300 3.300 0.000 peak 4696 weight 0.10000E+01 volume 0.20110E+01 ppm1 9.335 ppm2 1.599
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)
5.000 5.000 0.000 peak 4695 weight 0.10000E+01 volume 0.15120E+01 ppm1 9.337 ppm2 1.810
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
5.000 5.000 0.000 peak 4694 weight 0.10000E+01 volume 0.16710E+01 ppm1 9.336 ppm2 2.661
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
OR
(( segid " " and resid 1205 and name HB1 ))
)
5.000 5.000 0.000 peak 4693 weight 0.10000E+01 volume 0.10650E+01 ppm1 9.338 ppm2 3.167
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1230 and name HA ))
OR
(( segid " " and resid 1228 and name HB1 ))
)
5.000 5.000 0.000 peak 4690 weight 0.10000E+01 volume 0.12210E+01 ppm1 9.338 ppm2 3.674
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1207 and name HA ))
)
6.000 6.000 0.000 peak 4688 weight 0.10000E+01 volume 0.17000E+00 ppm1 9.337 ppm2 4.390
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1205 and name HA ))
)
2.700 2.700 0.000 peak 4687 weight 0.10000E+01 volume 0.39670E+01 ppm1 9.334 ppm2 4.781
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
5.000 5.000 0.000 peak 4686 weight 0.10000E+01 volume 0.15500E+01 ppm1 9.337 ppm2 4.946
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 4684 weight 0.10000E+01 volume 0.81200E+00 ppm1 9.337 ppm2 6.637
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1230 and name HG2 ))
)
6.000 6.000 0.000 peak 4700 weight 0.10000E+01 volume 0.94000E-01 ppm1 9.342 ppm2 1.069
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1231 and name HA ))
)
6.000 6.000 0.000 peak 4689 weight 0.10000E+01 volume 0.14700E+00 ppm1 9.329 ppm2 3.978
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1226 and name HA ))
OR
(( segid " " and resid 1208 and name HA ))
)
6.000 6.000 0.000 peak 4668 weight 0.10000E+01 volume 0.17700E+00 ppm1 8.756 ppm2 4.493
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
6.000 6.000 0.000 peak 4677 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.756 ppm2 0.678
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 4676 weight 0.10000E+01 volume 0.13940E+01 ppm1 8.756 ppm2 0.827
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
6.000 6.000 0.000 peak 4674 weight 0.10000E+01 volume 0.17500E+00 ppm1 8.756 ppm2 1.070
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1207 and name HB2 ))
)
2.700 2.700 0.000 peak 4671 weight 0.10000E+01 volume 0.41870E+01 ppm1 8.754 ppm2 1.441
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1206 and name HG2 ))
OR
(( segid " " and resid 1206 and name HG1 ))
)
5.000 5.000 0.000 peak 4672 weight 0.10000E+01 volume 0.14210E+01 ppm1 8.756 ppm2 1.569
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
OR
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)
2.700 2.700 0.000 peak 4673 weight 0.10000E+01 volume 0.63590E+01 ppm1 8.754 ppm2 1.792
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
6.000 6.000 0.000 peak 4670 weight 0.10000E+01 volume 0.23600E+00 ppm1 8.756 ppm2 2.659
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
)
5.000 5.000 0.000 peak 4669 weight 0.10000E+01 volume 0.44400E+00 ppm1 8.755 ppm2 3.137
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1205 and name HA ))
)
6.000 6.000 0.000 peak 4678 weight 0.10000E+01 volume 0.29700E+00 ppm1 8.756 ppm2 4.810
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1206 and name HA ))
)
2.700 2.700 0.000 peak 4666 weight 0.10000E+01 volume 0.61110E+01 ppm1 8.755 ppm2 4.945
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
6.000 6.000 0.000 peak 4660 weight 0.10000E+01 volume 0.25300E+00 ppm1 8.899 ppm2 0.667
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 4658 weight 0.10000E+01 volume 0.62200E+00 ppm1 8.900 ppm2 0.823
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
3.300 3.300 0.000 peak 4657 weight 0.10000E+01 volume 0.17930E+01 ppm1 8.900 ppm2 0.930
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
OR
(( segid " " and resid 1207 and name HB2 ))
)
5.000 5.000 0.000 peak 4661 weight 0.10000E+01 volume 0.10550E+01 ppm1 8.897 ppm2 1.441
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
OR
(( segid " " and resid 1206 and name HG2 ))
)
6.000 6.000 0.000 peak 4655 weight 0.10000E+01 volume 0.21000E+00 ppm1 8.900 ppm2 1.557
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
OR
(( segid " " and resid 1206 and name HB2 ))
)
5.000 5.000 0.000 peak 4654 weight 0.10000E+01 volume 0.14400E+01 ppm1 8.900 ppm2 1.780
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1208 and name HB2 ))
)
3.300 3.300 0.000 peak 4652 weight 0.10000E+01 volume 0.18310E+01 ppm1 8.897 ppm2 3.663
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1211 and name HB2 ))
)
5.000 5.000 0.000 peak 4651 weight 0.10000E+01 volume 0.65800E+00 ppm1 8.897 ppm2 3.735
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1208 and name HB1 ))
)
5.000 5.000 0.000 peak 4649 weight 0.10000E+01 volume 0.16340E+01 ppm1 8.897 ppm2 3.911
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1209 and name HB1 ))
)
6.000 6.000 0.000 peak 4650 weight 0.10000E+01 volume 0.32000E+00 ppm1 8.897 ppm2 3.993
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1209 and name HA ))
)
6.000 6.000 0.000 peak 4648 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.898 ppm2 4.273
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1207 and name HA ))
)
2.700 2.700 0.000 peak 4646 weight 0.10000E+01 volume 0.32310E+01 ppm1 8.896 ppm2 4.394
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
6.000 6.000 0.000 peak 4644 weight 0.10000E+01 volume 0.24500E+00 ppm1 8.901 ppm2 4.953
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1211 and name HN ))
)
6.000 6.000 0.000 peak 4642 weight 0.10000E+01 volume 0.13000E+00 ppm1 8.894 ppm2 7.580
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1227 and name HN ))
)
6.000 6.000 0.000 peak 4641 weight 0.10000E+01 volume 0.11200E+00 ppm1 8.898 ppm2 7.941
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
6.000 6.000 0.000 peak 4653 weight 0.10000E+01 volume 0.25900E+00 ppm1 8.900 ppm2 2.692
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1207 and name HN ))
)
6.000 6.000 0.000 peak 4623 weight 0.10000E+01 volume 0.11400E+00 ppm1 8.404 ppm2 8.761
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1227 and name HN ))
)
6.000 6.000 0.000 peak 4624 weight 0.10000E+01 volume 0.16500E+00 ppm1 8.411 ppm2 7.940
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 4637 weight 0.10000E+01 volume 0.24900E+00 ppm1 8.403 ppm2 0.932
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
OR
(( segid " " and resid 1207 and name HB2 ))
)
6.000 6.000 0.000 peak 4636 weight 0.10000E+01 volume 0.21300E+00 ppm1 8.404 ppm2 1.431
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
OR
(( segid " " and resid 1206 and name HG2 ))
)
6.000 6.000 0.000 peak 4635 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.404 ppm2 1.563
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1210 and name HB2 ))
)
6.000 6.000 0.000 peak 4634 weight 0.10000E+01 volume 0.10900E+00 ppm1 8.403 ppm2 1.692
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1208 and name HB1 ))
)
3.300 3.300 0.000 peak 4630 weight 0.10000E+01 volume 0.23350E+01 ppm1 8.404 ppm2 3.906
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1209 and name HB1 ))
)
5.000 5.000 0.000 peak 4631 weight 0.10000E+01 volume 0.15940E+01 ppm1 8.402 ppm2 3.973
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1208 and name HA ))
OR
(( segid " " and resid 1207 and name HA ))
)
3.300 3.300 0.000 peak 4628 weight 0.10000E+01 volume 0.22490E+01 ppm1 8.402 ppm2 4.457
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1211 and name HN ))
)
6.000 6.000 0.000 peak 4625 weight 0.10000E+01 volume 0.11200E+00 ppm1 8.403 ppm2 7.556
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1208 and name HB2 ))
)
5.000 5.000 0.000 peak 4632 weight 0.10000E+01 volume 0.67400E+00 ppm1 8.405 ppm2 3.656
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
)
5.000 5.000 0.000 peak 4633 weight 0.10000E+01 volume 0.43700E+00 ppm1 8.403 ppm2 1.790
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1210 and name HD2 ))
OR
(( segid " " and resid 1210 and name HD1 ))
)
6.000 6.000 0.000 peak 4618 weight 0.10000E+01 volume 0.31600E+00 ppm1 8.063 ppm2 3.148
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
)
3.300 3.300 0.000 peak 4621 weight 0.10000E+01 volume 0.17560E+01 ppm1 8.061 ppm2 1.571
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1210 and name HB2 ))
)
3.300 3.300 0.000 peak 4620 weight 0.10000E+01 volume 0.18760E+01 ppm1 8.062 ppm2 1.686
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1210 and name HB1 ))
)
5.000 5.000 0.000 peak 4619 weight 0.10000E+01 volume 0.12380E+01 ppm1 8.061 ppm2 1.921
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1208 and name HB2 ))
)
6.000 6.000 0.000 peak 4614 weight 0.10000E+01 volume 0.31500E+00 ppm1 8.061 ppm2 3.660
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1211 and name HB2 ))
)
6.000 6.000 0.000 peak 4615 weight 0.10000E+01 volume 0.15800E+00 ppm1 8.063 ppm2 3.756
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1208 and name HB1 ))
)
5.000 5.000 0.000 peak 4616 weight 0.10000E+01 volume 0.12260E+01 ppm1 8.061 ppm2 3.919
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1209 and name HB1 ))
)
5.000 5.000 0.000 peak 4617 weight 0.10000E+01 volume 0.11200E+01 ppm1 8.062 ppm2 3.982
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1209 and name HA ))
)
2.700 2.700 0.000 peak 4613 weight 0.10000E+01 volume 0.44000E+01 ppm1 8.060 ppm2 4.263
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1213 and name HA ))
OR
(( segid " " and resid 1211 and name HA ))
OR
(( segid " " and resid 1207 and name HA ))
)
5.000 5.000 0.000 peak 4612 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.059 ppm2 4.377
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1226 and name HA ))
OR
(( segid " " and resid 1208 and name HA ))
)
5.000 5.000 0.000 peak 4611 weight 0.10000E+01 volume 0.44900E+00 ppm1 8.061 ppm2 4.477
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1210 and name HB1 ))
)
5.000 5.000 0.000 peak 4589 weight 0.10000E+01 volume 0.49200E+00 ppm1 7.560 ppm2 1.920
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
6.000 6.000 0.000 peak 4606 weight 0.10000E+01 volume 0.12800E+00 ppm1 7.560 ppm2 0.822
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 4605 weight 0.10000E+01 volume 0.98000E-01 ppm1 7.561 ppm2 0.933
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1210 and name HG2 ))
OR
(( segid " " and resid 1210 and name HG1 ))
)
6.000 6.000 0.000 peak 4603 weight 0.10000E+01 volume 0.39600E+00 ppm1 7.563 ppm2 1.571
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1210 and name HB2 ))
)
6.000 6.000 0.000 peak 4602 weight 0.10000E+01 volume 0.39400E+00 ppm1 7.563 ppm2 1.693
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1212 and name HB1 ))
OR
(( segid " " and resid 1210 and name HD2 ))
OR
(( segid " " and resid 1210 and name HD1 ))
)
6.000 6.000 0.000 peak 4601 weight 0.10000E+01 volume 0.11300E+00 ppm1 7.562 ppm2 3.163
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1227 and name HB ))
OR
(( segid " " and resid 1208 and name HB2 ))
)
6.000 6.000 0.000 peak 4600 weight 0.10000E+01 volume 0.38500E+00 ppm1 7.564 ppm2 3.672
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1208 and name HB1 ))
)
5.000 5.000 0.000 peak 4598 weight 0.10000E+01 volume 0.10410E+01 ppm1 7.564 ppm2 3.922
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1210 and name HA ))
OR
(( segid " " and resid 1209 and name HA ))
)
3.300 3.300 0.000 peak 4596 weight 0.10000E+01 volume 0.19460E+01 ppm1 7.563 ppm2 4.267
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1226 and name HA ))
OR
(( segid " " and resid 1213 and name HB ))
OR
(( segid " " and resid 1208 and name HA ))
)
6.000 6.000 0.000 peak 4595 weight 0.10000E+01 volume 0.21500E+00 ppm1 7.565 ppm2 4.482
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
)
6.000 6.000 0.000 peak 4604 weight 0.10000E+01 volume 0.15500E+00 ppm1 7.557 ppm2 1.787
ASSI (
(( segid " " and resid 1212 and name HN ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
6.000 6.000 0.000 peak 4588 weight 0.10000E+01 volume 0.16900E+00 ppm1 8.558 ppm2 0.809
ASSI (
(( segid " " and resid 1212 and name HN ))
)(
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)
6.000 6.000 0.000 peak 4587 weight 0.10000E+01 volume 0.20300E+00 ppm1 8.560 ppm2 1.222
ASSI (
(( segid " " and resid 1212 and name HN ))
)(
(( segid " " and resid 1212 and name HB2 ))
)
5.000 5.000 0.000 peak 4586 weight 0.10000E+01 volume 0.12250E+01 ppm1 8.558 ppm2 3.036
ASSI (
(( segid " " and resid 1212 and name HN ))
)(
(( segid " " and resid 1212 and name HB1 ))
)
5.000 5.000 0.000 peak 4585 weight 0.10000E+01 volume 0.15510E+01 ppm1 8.558 ppm2 3.191
ASSI (
(( segid " " and resid 1212 and name HN ))
)(
(( segid " " and resid 1211 and name HB2 ))
)
6.000 6.000 0.000 peak 4584 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.558 ppm2 3.764
ASSI (
(( segid " " and resid 1212 and name HN ))
)(
(( segid " " and resid 1211 and name HB1 ))
)
5.000 5.000 0.000 peak 4583 weight 0.10000E+01 volume 0.53500E+00 ppm1 8.558 ppm2 3.934
ASSI (
(( segid " " and resid 1212 and name HN ))
)(
(( segid " " and resid 1211 and name HA ))
)
3.300 3.300 0.000 peak 4580 weight 0.10000E+01 volume 0.22100E+01 ppm1 8.559 ppm2 4.325
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
)
5.000 5.000 0.000 peak 4556 weight 0.10000E+01 volume 0.71500E+00 ppm1 8.373 ppm2 0.823
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 4555 weight 0.10000E+01 volume 0.59500E+00 ppm1 8.374 ppm2 0.931
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
3.300 3.300 0.000 peak 4554 weight 0.10000E+01 volume 0.18180E+01 ppm1 8.373 ppm2 1.067
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 4552 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.374 ppm2 2.095
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1214 and name HB1 ))
)
5.000 5.000 0.000 peak 4551 weight 0.10000E+01 volume 0.14660E+01 ppm1 8.374 ppm2 2.225
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1213 and name HA ))
)
2.700 2.700 0.000 peak 4549 weight 0.10000E+01 volume 0.32550E+01 ppm1 8.375 ppm2 4.390
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1213 and name HB ))
)
3.300 3.300 0.000 peak 4548 weight 0.10000E+01 volume 0.19100E+01 ppm1 8.375 ppm2 4.489
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 4542 weight 0.10000E+01 volume 0.17800E+00 ppm1 7.698 ppm2 0.920
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 4544 weight 0.10000E+01 volume 0.54000E+00 ppm1 7.698 ppm2 0.658
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1207 and name HD13))
OR
(( segid " " and resid 1207 and name HD12))
OR
(( segid " " and resid 1207 and name HD11))
OR
(( segid " " and resid 1200 and name HG13))
OR
(( segid " " and resid 1200 and name HG12))
OR
(( segid " " and resid 1200 and name HG11))
)
6.000 6.000 0.000 peak 4543 weight 0.10000E+01 volume 0.13900E+00 ppm1 7.698 ppm2 0.822
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1214 and name HD13))
OR
(( segid " " and resid 1214 and name HD12))
OR
(( segid " " and resid 1214 and name HD11))
)
5.000 5.000 0.000 peak 4541 weight 0.10000E+01 volume 0.78500E+00 ppm1 7.697 ppm2 1.070
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)
5.000 5.000 0.000 peak 4540 weight 0.10000E+01 volume 0.13250E+01 ppm1 7.697 ppm2 1.219
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1215 and name HG2 ))
OR
(( segid " " and resid 1215 and name HG1 ))
)
5.000 5.000 0.000 peak 4539 weight 0.10000E+01 volume 0.10810E+01 ppm1 7.697 ppm2 1.425
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HG ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
3.300 3.300 0.000 peak 4534 weight 0.10000E+01 volume 0.31320E+01 ppm1 7.697 ppm2 1.654
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1215 and name HB1 ))
)
2.700 2.700 0.000 peak 4535 weight 0.10000E+01 volume 0.32940E+01 ppm1 7.699 ppm2 1.758
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1198 and name HB1 ))
)
6.000 6.000 0.000 peak 4536 weight 0.10000E+01 volume 0.24900E+00 ppm1 7.697 ppm2 1.882
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 4538 weight 0.10000E+01 volume 0.29300E+00 ppm1 7.697 ppm2 2.026
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1214 and name HB1 ))
OR
(( segid " " and resid 1198 and name HG1 ))
)
5.000 5.000 0.000 peak 4537 weight 0.10000E+01 volume 0.60200E+00 ppm1 7.696 ppm2 2.214
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
OR
(( segid " " and resid 1212 and name HB1 ))
OR
(( segid " " and resid 1199 and name HB1 ))
)
5.000 5.000 0.000 peak 4533 weight 0.10000E+01 volume 0.52400E+00 ppm1 7.698 ppm2 3.158
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1213 and name HA ))
)
5.000 5.000 0.000 peak 4531 weight 0.10000E+01 volume 0.76500E+00 ppm1 7.697 ppm2 4.388
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1198 and name HA ))
)
6.000 6.000 0.000 peak 4529 weight 0.10000E+01 volume 0.29300E+00 ppm1 7.698 ppm2 4.762
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1215 and name HA ))
)
5.000 5.000 0.000 peak 4527 weight 0.10000E+01 volume 0.14010E+01 ppm1 7.697 ppm2 5.255
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1198 and name HN ))
)
6.000 6.000 0.000 peak 4502 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.740 ppm2 7.968
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1223 and name HB1 ))
OR
(( segid " " and resid 1213 and name HG23))
OR
(( segid " " and resid 1213 and name HG22))
OR
(( segid " " and resid 1213 and name HG21))
)
6.000 6.000 0.000 peak 4524 weight 0.10000E+01 volume 0.11800E+00 ppm1 8.735 ppm2 1.244
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1197 and name HG23))
OR
(( segid " " and resid 1197 and name HG22))
OR
(( segid " " and resid 1197 and name HG21))
)
6.000 6.000 0.000 peak 4523 weight 0.10000E+01 volume 0.22100E+00 ppm1 8.741 ppm2 0.126
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
6.000 6.000 0.000 peak 4522 weight 0.10000E+01 volume 0.34900E+00 ppm1 8.739 ppm2 0.619
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
3.300 3.300 0.000 peak 4521 weight 0.10000E+01 volume 0.27850E+01 ppm1 8.741 ppm2 1.113
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
OR
(( segid " " and resid 1215 and name HB2 ))
OR
(( segid " " and resid 1214 and name HB2 ))
)
5.000 5.000 0.000 peak 4519 weight 0.10000E+01 volume 0.98800E+00 ppm1 8.741 ppm2 1.657
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1215 and name HB1 ))
OR
(( segid " " and resid 1198 and name HB2 ))
)
5.000 5.000 0.000 peak 4518 weight 0.10000E+01 volume 0.96000E+00 ppm1 8.740 ppm2 1.766
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1198 and name HB1 ))
)
6.000 6.000 0.000 peak 4517 weight 0.10000E+01 volume 0.26700E+00 ppm1 8.740 ppm2 1.890
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
OR
(( segid " " and resid 1224 and name HG2 ))
OR
(( segid " " and resid 1198 and name HG2 ))
)
6.000 6.000 0.000 peak 4515 weight 0.10000E+01 volume 0.29500E+00 ppm1 8.738 ppm2 2.036
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1224 and name HG1 ))
OR
(( segid " " and resid 1198 and name HG1 ))
OR
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
6.000 6.000 0.000 peak 4516 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.741 ppm2 2.157
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1215 and name HD2 ))
OR
(( segid " " and resid 1215 and name HD1 ))
OR
(( segid " " and resid 1199 and name HB1 ))
)
5.000 5.000 0.000 peak 4514 weight 0.10000E+01 volume 0.48600E+00 ppm1 8.740 ppm2 3.151
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
)
5.000 5.000 0.000 peak 4513 weight 0.10000E+01 volume 0.60000E+00 ppm1 8.740 ppm2 3.635
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1216 and name HB ))
OR
(( segid " " and resid 1197 and name HA ))
)
5.000 5.000 0.000 peak 4512 weight 0.10000E+01 volume 0.86400E+00 ppm1 8.741 ppm2 4.034
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1217 and name HA ))
OR
(( segid " " and resid 1198 and name HA ))
)
5.000 5.000 0.000 peak 4509 weight 0.10000E+01 volume 0.16830E+01 ppm1 8.741 ppm2 4.767
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1196 and name HA ))
)
5.000 5.000 0.000 peak 4506 weight 0.10000E+01 volume 0.83200E+00 ppm1 8.741 ppm2 5.134
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1215 and name HA ))
)
2.700 2.700 0.000 peak 4508 weight 0.10000E+01 volume 0.67200E+01 ppm1 8.740 ppm2 5.254
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1199 and name HE2 ))
OR
(( segid " " and resid 1199 and name HD2 ))
)
5.000 5.000 0.000 peak 4505 weight 0.10000E+01 volume 0.62200E+00 ppm1 8.742 ppm2 7.148
ASSI (
(( segid " " and resid 1217 and name HN ))
)(
(( segid " " and resid 1217 and name HB ))
)
2.700 2.700 0.000 peak 4487 weight 0.10000E+01 volume 0.38990E+01 ppm1 8.244 ppm2 3.874
ASSI (
(( segid " " and resid 1217 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
)
6.000 6.000 0.000 peak 4489 weight 0.10000E+01 volume 0.16800E+00 ppm1 8.246 ppm2 0.392
ASSI (
(( segid " " and resid 1217 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 4488 weight 0.10000E+01 volume 0.28200E+00 ppm1 8.245 ppm2 0.506
ASSI (
(( segid " " and resid 1217 and name HN ))
)(
(( segid " " and resid 1216 and name HB ))
)
3.300 3.300 0.000 peak 4492 weight 0.10000E+01 volume 0.20500E+01 ppm1 8.243 ppm2 4.035
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1219 and name HN ))
OR
(( segid " " and resid 1197 and name HN ))
)
5.000 5.000 0.000 peak 4471 weight 0.10000E+01 volume 0.65300E+00 ppm1 8.280 ppm2 8.932
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 4484 weight 0.10000E+01 volume 0.20300E+00 ppm1 8.284 ppm2 0.392
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 4485 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.285 ppm2 0.511
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
)
6.000 6.000 0.000 peak 4486 weight 0.10000E+01 volume 0.25000E+00 ppm1 8.286 ppm2 0.621
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
5.000 5.000 0.000 peak 4483 weight 0.10000E+01 volume 0.15370E+01 ppm1 8.285 ppm2 1.032
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1195 and name HB2 ))
OR
(( segid " " and resid 1195 and name HB1 ))
)
6.000 6.000 0.000 peak 4482 weight 0.10000E+01 volume 0.16200E+00 ppm1 8.284 ppm2 2.114
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1167 and name HB2 ))
)
6.000 6.000 0.000 peak 4481 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.285 ppm2 2.694
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 4479 weight 0.10000E+01 volume 0.10720E+01 ppm1 8.283 ppm2 3.070
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1196 and name HB2 ))
OR
(( segid " " and resid 1196 and name HB1 ))
OR
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 4478 weight 0.10000E+01 volume 0.43800E+00 ppm1 8.284 ppm2 3.645
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1217 and name HB ))
)
6.000 6.000 0.000 peak 4477 weight 0.10000E+01 volume 0.30900E+00 ppm1 8.285 ppm2 3.877
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1195 and name HA ))
OR
(( segid " " and resid 1194 and name HA1 ))
)
6.000 6.000 0.000 peak 4476 weight 0.10000E+01 volume 0.35000E-01 ppm1 8.283 ppm2 4.439
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1196 and name HA ))
)
5.000 5.000 0.000 peak 4473 weight 0.10000E+01 volume 0.88400E+00 ppm1 8.285 ppm2 5.129
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1196 and name HB1 ))
OR
(( segid " " and resid 1194 and name HA2 ))
OR
(( segid " " and resid 1193 and name HB ))
)
6.000 6.000 0.000 peak 4459 weight 0.10000E+01 volume 0.14700E+00 ppm1 8.919 ppm2 3.609
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1219 and name HD1 ))
)
6.000 6.000 0.000 peak 4465 weight 0.10000E+01 volume 0.21600E+00 ppm1 8.933 ppm2 7.155
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
5.000 5.000 0.000 peak 4446 weight 0.10000E+01 volume 0.94000E+00 ppm1 8.927 ppm2 0.379
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
5.000 5.000 0.000 peak 4447 weight 0.10000E+01 volume 0.70900E+00 ppm1 8.926 ppm2 0.508
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1197 and name HG13))
OR
(( segid " " and resid 1197 and name HG12))
OR
(( segid " " and resid 1197 and name HG11))
OR
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
6.000 6.000 0.000 peak 4448 weight 0.10000E+01 volume 0.14100E+00 ppm1 8.928 ppm2 0.629
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1223 and name HG ))
OR
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
6.000 6.000 0.000 peak 4450 weight 0.10000E+01 volume 0.29700E+00 ppm1 8.926 ppm2 1.024
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
OR
(( segid " " and resid 1164 and name HB2 ))
)
6.000 6.000 0.000 peak 4449 weight 0.10000E+01 volume 0.22800E+00 ppm1 8.926 ppm2 1.113
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1223 and name HB1 ))
)
6.000 6.000 0.000 peak 4451 weight 0.10000E+01 volume 0.11900E+00 ppm1 8.925 ppm2 1.222
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1222 and name HG1 ))
OR
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 4452 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.923 ppm2 1.379
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
OR
(( segid " " and resid 1220 and name HB2 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
6.000 6.000 0.000 peak 4454 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.926 ppm2 1.717
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
OR
(( segid " " and resid 1168 and name HB ))
)
5.000 5.000 0.000 peak 4453 weight 0.10000E+01 volume 0.43000E+00 ppm1 8.926 ppm2 1.926
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 4457 weight 0.10000E+01 volume 0.51400E+00 ppm1 8.926 ppm2 2.793
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 4455 weight 0.10000E+01 volume 0.12910E+01 ppm1 8.925 ppm2 3.047
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1219 and name HB1 ))
)
5.000 5.000 0.000 peak 4456 weight 0.10000E+01 volume 0.10130E+01 ppm1 8.926 ppm2 3.359
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1193 and name HB ))
OR
(( segid " " and resid 1191 and name HB1 ))
)
6.000 6.000 0.000 peak 4458 weight 0.10000E+01 volume 0.10500E+00 ppm1 8.926 ppm2 3.518
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1222 and name HA ))
OR
(( segid " " and resid 1220 and name HA ))
)
5.000 5.000 0.000 peak 4461 weight 0.10000E+01 volume 0.12260E+01 ppm1 8.927 ppm2 4.470
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1167 and name HA ))
)
6.000 6.000 0.000 peak 4462 weight 0.10000E+01 volume 0.29600E+00 ppm1 8.926 ppm2 4.755
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1219 and name HE3 ))
)
6.000 6.000 0.000 peak 4466 weight 0.10000E+01 volume 0.13000E+00 ppm1 8.925 ppm2 7.581
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1223 and name HN ))
)
6.000 6.000 0.000 peak 4467 weight 0.10000E+01 volume 0.18000E+00 ppm1 8.926 ppm2 8.151
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1218 and name HN ))
OR
(( segid " " and resid 1217 and name HN ))
)
5.000 5.000 0.000 peak 4470 weight 0.10000E+01 volume 0.54100E+00 ppm1 8.925 ppm2 8.286
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1194 and name HN ))
)
6.000 6.000 0.000 peak 6096 weight 0.10000E+01 volume 0.12500E+00 ppm1 8.927 ppm2 9.163
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1145 and name HG2 ))
OR
(( segid " " and resid 1145 and name HG1 ))
)
6.000 6.000 0.000 peak 5351 weight 0.10000E+01 volume 0.13000E+00 ppm1 10.224 ppm2 2.255
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 5356 weight 0.10000E+01 volume 0.36000E+00 ppm1 10.225 ppm2 0.394
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1217 and name HG23))
OR
(( segid " " and resid 1217 and name HG22))
OR
(( segid " " and resid 1217 and name HG21))
)
6.000 6.000 0.000 peak 5354 weight 0.10000E+01 volume 0.27700E+00 ppm1 10.225 ppm2 1.031
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1164 and name HB1 ))
OR
(( segid " " and resid 1143 and name HB2 ))
)
6.000 6.000 0.000 peak 5352 weight 0.10000E+01 volume 0.18400E+00 ppm1 10.222 ppm2 1.631
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1220 and name HB2 ))
)
5.000 5.000 0.000 peak 5353 weight 0.10000E+01 volume 0.62400E+00 ppm1 10.226 ppm2 1.753
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 5350 weight 0.10000E+01 volume 0.76800E+00 ppm1 10.228 ppm2 3.074
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1219 and name HB1 ))
)
5.000 5.000 0.000 peak 5349 weight 0.10000E+01 volume 0.53700E+00 ppm1 10.229 ppm2 3.350
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1220 and name HA ))
)
6.000 6.000 0.000 peak 5347 weight 0.10000E+01 volume 0.17300E+00 ppm1 10.223 ppm2 4.471
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1164 and name HA ))
OR
(( segid " " and resid 1142 and name HA ))
)
6.000 6.000 0.000 peak 4435 weight 0.10000E+01 volume 0.36200E+00 ppm1 8.902 ppm2 4.356
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1194 and name HN ))
)
6.000 6.000 0.000 peak 4427 weight 0.10000E+01 volume 0.19600E+00 ppm1 8.895 ppm2 9.154
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1222 and name HN ))
)
6.000 6.000 0.000 peak 4429 weight 0.10000E+01 volume 0.12100E+00 ppm1 8.895 ppm2 7.765
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
5.000 5.000 0.000 peak 4443 weight 0.10000E+01 volume 0.55100E+00 ppm1 8.901 ppm2 0.632
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1164 and name HB2 ))
)
6.000 6.000 0.000 peak 4442 weight 0.10000E+01 volume 0.24300E+00 ppm1 8.898 ppm2 1.116
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1164 and name HB1 ))
)
6.000 6.000 0.000 peak 4440 weight 0.10000E+01 volume 0.23900E+00 ppm1 8.901 ppm2 1.630
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1220 and name HB2 ))
)
5.000 5.000 0.000 peak 4441 weight 0.10000E+01 volume 0.52400E+00 ppm1 8.900 ppm2 1.752
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 4445 weight 0.10000E+01 volume 0.68200E+00 ppm1 8.902 ppm2 3.054
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1219 and name HB1 ))
)
6.000 6.000 0.000 peak 4437 weight 0.10000E+01 volume 0.20000E+00 ppm1 8.902 ppm2 3.361
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1220 and name HA ))
)
5.000 5.000 0.000 peak 4434 weight 0.10000E+01 volume 0.10920E+01 ppm1 8.901 ppm2 4.481
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1219 and name HD1 ))
)
6.000 6.000 0.000 peak 4431 weight 0.10000E+01 volume 0.14600E+00 ppm1 8.901 ppm2 7.141
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1219 and name HE3 ))
)
6.000 6.000 0.000 peak 4430 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.899 ppm2 7.569
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 4425 weight 0.10000E+01 volume -0.17900E+00 ppm1 6.350 ppm2 0.397
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1164 and name HD23))
OR
(( segid " " and resid 1164 and name HD22))
OR
(( segid " " and resid 1164 and name HD21))
OR
(( segid " " and resid 1164 and name HD13))
OR
(( segid " " and resid 1164 and name HD12))
OR
(( segid " " and resid 1164 and name HD11))
OR
(( segid " " and resid 1164 and name HG ))
)
6.000 6.000 0.000 peak 4424 weight 0.10000E+01 volume -0.22600E+00 ppm1 6.349 ppm2 0.638
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1164 and name HB2 ))
)
6.000 6.000 0.000 peak 4423 weight 0.10000E+01 volume -0.12500E+00 ppm1 6.353 ppm2 1.146
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
OR
(( segid " " and resid 1220 and name HB2 ))
OR
(( segid " " and resid 1166 and name HB2 ))
)
6.000 6.000 0.000 peak 4421 weight 0.10000E+01 volume -0.25000E+00 ppm1 6.351 ppm2 1.750
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
OR
(( segid " " and resid 1168 and name HB ))
)
6.000 6.000 0.000 peak 4420 weight 0.10000E+01 volume -0.24400E+00 ppm1 6.350 ppm2 1.932
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
6.000 6.000 0.000 peak 4418 weight 0.10000E+01 volume -0.20900E+00 ppm1 6.353 ppm2 3.066
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1222 and name HG1 ))
OR
(( segid " " and resid 1166 and name HG2 ))
)
6.000 6.000 0.000 peak 4422 weight 0.10000E+01 volume -0.10700E+00 ppm1 6.351 ppm2 1.388
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
OR
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 4408 weight 0.10000E+01 volume 0.12700E+00 ppm1 7.770 ppm2 0.381
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
OR
(( segid " " and resid 1164 and name HB2 ))
)
6.000 6.000 0.000 peak 4407 weight 0.10000E+01 volume 0.19700E+00 ppm1 7.772 ppm2 1.152
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1222 and name HG2 ))
)
5.000 5.000 0.000 peak 4406 weight 0.10000E+01 volume 0.96100E+00 ppm1 7.770 ppm2 1.338
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1222 and name HG1 ))
OR
(( segid " " and resid 1169 and name HG11))
)
5.000 5.000 0.000 peak 4405 weight 0.10000E+01 volume 0.10370E+01 ppm1 7.769 ppm2 1.405
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
OR
(( segid " " and resid 1220 and name HB2 ))
OR
(( segid " " and resid 1169 and name HB ))
)
5.000 5.000 0.000 peak 4403 weight 0.10000E+01 volume 0.76800E+00 ppm1 7.772 ppm2 1.740
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
)
2.700 2.700 0.000 peak 4404 weight 0.10000E+01 volume 0.55490E+01 ppm1 7.771 ppm2 1.927
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1222 and name HE2 ))
OR
(( segid " " and resid 1222 and name HE1 ))
OR
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1219 and name HB2 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
5.000 5.000 0.000 peak 4401 weight 0.10000E+01 volume 0.50600E+00 ppm1 7.769 ppm2 3.058
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1220 and name HB1 ))
OR
(( segid " " and resid 1218 and name HB1 ))
)
6.000 6.000 0.000 peak 4402 weight 0.10000E+01 volume 0.28600E+00 ppm1 7.768 ppm2 3.134
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1219 and name HB1 ))
)
6.000 6.000 0.000 peak 4400 weight 0.10000E+01 volume 0.17600E+00 ppm1 7.769 ppm2 3.356
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1221 and name HA2 ))
)
5.000 5.000 0.000 peak 4399 weight 0.10000E+01 volume 0.94500E+00 ppm1 7.771 ppm2 3.728
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1221 and name HA1 ))
)
5.000 5.000 0.000 peak 4398 weight 0.10000E+01 volume 0.83600E+00 ppm1 7.770 ppm2 4.054
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1222 and name HA ))
OR
(( segid " " and resid 1220 and name HA ))
)
3.300 3.300 0.000 peak 4397 weight 0.10000E+01 volume 0.29360E+01 ppm1 7.770 ppm2 4.472
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1167 and name HA ))
)
6.000 6.000 0.000 peak 4395 weight 0.10000E+01 volume 0.23800E+00 ppm1 7.767 ppm2 4.776
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
OR
(( segid " " and resid 1169 and name HB ))
)
5.000 5.000 0.000 peak 4383 weight 0.10000E+01 volume 0.55100E+00 ppm1 8.142 ppm2 1.731
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1218 and name HB2 ))
OR
(( segid " " and resid 1167 and name HB1 ))
)
6.000 6.000 0.000 peak 4381 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.142 ppm2 2.774
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1223 and name HA ))
OR
(( segid " " and resid 1222 and name HA ))
)
2.700 2.700 0.000 peak 4379 weight 0.10000E+01 volume 0.10689E+02 ppm1 8.141 ppm2 4.472
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1170 and name HN ))
)
6.000 6.000 0.000 peak 4375 weight 0.10000E+01 volume 0.11000E+00 ppm1 8.143 ppm2 7.920
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1225 and name HN ))
OR
(( segid " " and resid 1224 and name HN ))
OR
(( segid " " and resid 1217 and name HN ))
OR
(( segid " " and resid 1169 and name HN ))
)
5.000 5.000 0.000 peak 4377 weight 0.10000E+01 volume 0.90900E+00 ppm1 8.142 ppm2 8.268
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1220 and name HN ))
OR
(( segid " " and resid 1219 and name HN ))
OR
(( segid " " and resid 1197 and name HN ))
)
6.000 6.000 0.000 peak 4374 weight 0.10000E+01 volume 0.10700E+00 ppm1 8.142 ppm2 8.939
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
6.000 6.000 0.000 peak 4389 weight 0.10000E+01 volume 0.33900E+00 ppm1 8.142 ppm2 0.386
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1223 and name HG ))
OR
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 4387 weight 0.10000E+01 volume 0.46200E+00 ppm1 8.141 ppm2 1.002
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
)
5.000 5.000 0.000 peak 4386 weight 0.10000E+01 volume 0.13000E+01 ppm1 8.141 ppm2 1.118
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1169 and name HG11))
)
5.000 5.000 0.000 peak 4384 weight 0.10000E+01 volume 0.92400E+00 ppm1 8.141 ppm2 1.361
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
)
3.300 3.300 0.000 peak 4382 weight 0.10000E+01 volume 0.22040E+01 ppm1 8.142 ppm2 1.930
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1222 and name HE2 ))
OR
(( segid " " and resid 1222 and name HE1 ))
)
6.000 6.000 0.000 peak 4380 weight 0.10000E+01 volume 0.90000E-01 ppm1 8.142 ppm2 3.023
ASSI (
(( segid " " and resid 1223 and name HN ))
)(
(( segid " " and resid 1225 and name HE2 ))
OR
(( segid " " and resid 1225 and name HE1 ))
)
6.000 6.000 0.000 peak 4378 weight 0.10000E+01 volume 0.18500E+00 ppm1 8.144 ppm2 6.711
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1223 and name HD23))
OR
(( segid " " and resid 1223 and name HD22))
OR
(( segid " " and resid 1223 and name HD21))
)
5.000 5.000 0.000 peak 4360 weight 0.10000E+01 volume 0.65000E+00 ppm1 8.284 ppm2 0.393
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1223 and name HG ))
OR
(( segid " " and resid 1169 and name HG23))
OR
(( segid " " and resid 1169 and name HG21))
)
5.000 5.000 0.000 peak 4363 weight 0.10000E+01 volume 0.10510E+01 ppm1 8.283 ppm2 1.008
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1223 and name HB2 ))
OR
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
3.300 3.300 0.000 peak 4362 weight 0.10000E+01 volume 0.23300E+01 ppm1 8.283 ppm2 1.121
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1223 and name HB1 ))
)
5.000 5.000 0.000 peak 4361 weight 0.10000E+01 volume 0.74200E+00 ppm1 8.283 ppm2 1.223
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1222 and name HG2 ))
OR
(( segid " " and resid 1169 and name HG11))
)
6.000 6.000 0.000 peak 4364 weight 0.10000E+01 volume 0.22100E+00 ppm1 8.282 ppm2 1.356
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1224 and name HB2 ))
OR
(( segid " " and resid 1224 and name HB1 ))
)
2.700 2.700 0.000 peak 4365 weight 0.10000E+01 volume 0.63780E+01 ppm1 8.282 ppm2 1.666
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1222 and name HD2 ))
OR
(( segid " " and resid 1222 and name HD1 ))
OR
(( segid " " and resid 1215 and name HB1 ))
)
5.000 5.000 0.000 peak 4366 weight 0.10000E+01 volume 0.49500E+00 ppm1 8.282 ppm2 1.796
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1222 and name HB2 ))
OR
(( segid " " and resid 1222 and name HB1 ))
)
6.000 6.000 0.000 peak 4367 weight 0.10000E+01 volume 0.32100E+00 ppm1 8.282 ppm2 1.922
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1224 and name HG1 ))
)
5.000 5.000 0.000 peak 4369 weight 0.10000E+01 volume 0.12070E+01 ppm1 8.282 ppm2 2.188
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1224 and name HA ))
OR
(( segid " " and resid 1223 and name HA ))
)
2.700 2.700 0.000 peak 4370 weight 0.10000E+01 volume 0.99760E+01 ppm1 8.283 ppm2 4.452
ASSI (
(( segid " " and resid 1224 and name HN ))
)(
(( segid " " and resid 1225 and name HD2 ))
OR
(( segid " " and resid 1225 and name HD1 ))
)
6.000 6.000 0.000 peak 4372 weight 0.10000E+01 volume 0.11400E+00 ppm1 8.283 ppm2 6.772
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 4358 weight 0.10000E+01 volume -0.76300E+00 ppm1 7.960 ppm2 0.644
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 4357 weight 0.10000E+01 volume -0.47600E+00 ppm1 7.958 ppm2 0.932
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1226 and name HB2 ))
)
5.000 5.000 0.000 peak 4356 weight 0.10000E+01 volume -0.62700E+00 ppm1 7.955 ppm2 1.611
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1226 and name HG1 ))
)
6.000 6.000 0.000 peak 4355 weight 0.10000E+01 volume -0.14900E+00 ppm1 7.955 ppm2 2.054
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1226 and name HB1 ))
)
5.000 5.000 0.000 peak 4354 weight 0.10000E+01 volume -0.55300E+00 ppm1 7.957 ppm2 2.232
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1227 and name HB ))
)
5.000 5.000 0.000 peak 4352 weight 0.10000E+01 volume -0.86100E+00 ppm1 7.957 ppm2 3.675
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1228 and name HB1 ))
OR
(( segid " " and resid 1211 and name HB2 ))
)
6.000 6.000 0.000 peak 4351 weight 0.10000E+01 volume -0.34500E+00 ppm1 7.958 ppm2 3.759
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1211 and name HB1 ))
)
5.000 5.000 0.000 peak 4350 weight 0.10000E+01 volume -0.67400E+00 ppm1 7.956 ppm2 3.930
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1225 and name HA ))
OR
(( segid " " and resid 1214 and name HA ))
)
6.000 6.000 0.000 peak 4349 weight 0.10000E+01 volume -0.16100E+00 ppm1 7.959 ppm2 4.158
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1211 and name HA ))
OR
(( segid " " and resid 1209 and name HA ))
)
6.000 6.000 0.000 peak 4348 weight 0.10000E+01 volume -0.18300E+00 ppm1 7.959 ppm2 4.309
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1227 and name HG23))
OR
(( segid " " and resid 1227 and name HG22))
OR
(( segid " " and resid 1227 and name HG21))
OR
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
6.000 6.000 0.000 peak 4337 weight 0.10000E+01 volume 0.25500E+00 ppm1 9.811 ppm2 0.653
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
6.000 6.000 0.000 peak 4336 weight 0.10000E+01 volume 0.28300E+00 ppm1 9.811 ppm2 0.932
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1230 and name HG1 ))
OR
(( segid " " and resid 1178 and name HB2 ))
)
6.000 6.000 0.000 peak 4335 weight 0.10000E+01 volume 0.14700E+00 ppm1 9.810 ppm2 1.179
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)
2.700 2.700 0.000 peak 4334 weight 0.10000E+01 volume 0.39370E+01 ppm1 9.808 ppm2 1.427
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1231 and name HB2 ))
OR
(( segid " " and resid 1206 and name HG2 ))
)
5.000 5.000 0.000 peak 4332 weight 0.10000E+01 volume 0.78600E+00 ppm1 9.810 ppm2 1.565
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1230 and name HB1 ))
OR
(( segid " " and resid 1206 and name HG1 ))
)
6.000 6.000 0.000 peak 4333 weight 0.10000E+01 volume 0.36400E+00 ppm1 9.811 ppm2 1.638
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1207 and name HG ))
OR
(( segid " " and resid 1207 and name HB1 ))
OR
(( segid " " and resid 1206 and name HB2 ))
OR
(( segid " " and resid 1206 and name HB1 ))
)
5.000 5.000 0.000 peak 4331 weight 0.10000E+01 volume 0.65200E+00 ppm1 9.810 ppm2 1.795
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1228 and name HB2 ))
OR
(( segid " " and resid 1205 and name HB2 ))
)
3.300 3.300 0.000 peak 4330 weight 0.10000E+01 volume 0.18520E+01 ppm1 9.809 ppm2 2.685
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
5.000 5.000 0.000 peak 4344 weight 0.10000E+01 volume 0.42900E+00 ppm1 9.808 ppm2 2.780
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1206 and name HD2 ))
OR
(( segid " " and resid 1206 and name HD1 ))
OR
(( segid " " and resid 1205 and name HB1 ))
)
5.000 5.000 0.000 peak 4329 weight 0.10000E+01 volume 0.66900E+00 ppm1 9.811 ppm2 3.171
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1228 and name HB1 ))
)
3.300 3.300 0.000 peak 4328 weight 0.10000E+01 volume 0.21960E+01 ppm1 9.811 ppm2 3.680
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1211 and name HB1 ))
OR
(( segid " " and resid 1209 and name HB2 ))
OR
(( segid " " and resid 1208 and name HB1 ))
)
5.000 5.000 0.000 peak 4327 weight 0.10000E+01 volume 0.47600E+00 ppm1 9.810 ppm2 3.909
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1207 and name HA ))
)
5.000 5.000 0.000 peak 4324 weight 0.10000E+01 volume 0.90400E+00 ppm1 9.812 ppm2 4.396
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1226 and name HA ))
OR
(( segid " " and resid 1208 and name HA ))
)
6.000 6.000 0.000 peak 4326 weight 0.10000E+01 volume 0.34400E+00 ppm1 9.810 ppm2 4.479
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
5.000 5.000 0.000 peak 4338 weight 0.10000E+01 volume 0.72500E+00 ppm1 9.808 ppm2 6.645
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1228 and name HN ))
OR
(( segid " " and resid 1205 and name HN ))
)
5.000 5.000 0.000 peak 4340 weight 0.10000E+01 volume 0.68900E+00 ppm1 9.810 ppm2 8.340
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1205 and name HA ))
)
5.000 5.000 0.000 peak 4323 weight 0.10000E+01 volume 0.64300E+00 ppm1 9.812 ppm2 4.779
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
5.000 5.000 0.000 peak 4322 weight 0.10000E+01 volume 0.12520E+01 ppm1 9.807 ppm2 4.948
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1206 and name HN ))
)
3.300 3.300 0.000 peak 4343 weight 0.10000E+01 volume 0.24330E+01 ppm1 9.808 ppm2 9.343
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1207 and name HN ))
)
5.000 5.000 0.000 peak 4342 weight 0.10000E+01 volume 0.75700E+00 ppm1 9.810 ppm2 8.763
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1208 and name HN ))
)
5.000 5.000 0.000 peak 4341 weight 0.10000E+01 volume 0.93100E+00 ppm1 9.810 ppm2 8.905
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1231 and name HN ))
)
6.000 6.000 0.000 peak 4339 weight 0.10000E+01 volume 0.10900E+00 ppm1 9.811 ppm2 7.750
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1230 and name HD1 ))
OR
(( segid " " and resid 1230 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB3 ))
OR
(( segid " " and resid 1229 and name HB2 ))
OR
(( segid " " and resid 1229 and name HB1 ))
)
2.700 2.700 0.000 peak 4318 weight 0.10000E+01 volume 0.97210E+01 ppm1 8.776 ppm2 1.422
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1230 and name HB1 ))
OR
(( segid " " and resid 1206 and name HG2 ))
OR
(( segid " " and resid 1206 and name HG1 ))
)
3.300 3.300 0.000 peak 4317 weight 0.10000E+01 volume 0.31900E+01 ppm1 8.776 ppm2 1.609
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1205 and name HB2 ))
)
6.000 6.000 0.000 peak 4316 weight 0.10000E+01 volume 0.16800E+00 ppm1 8.776 ppm2 2.654
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
6.000 6.000 0.000 peak 4315 weight 0.10000E+01 volume 0.21500E+00 ppm1 8.777 ppm2 2.784
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1230 and name HA ))
)
3.300 3.300 0.000 peak 4314 weight 0.10000E+01 volume 0.21830E+01 ppm1 8.776 ppm2 3.694
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1205 and name HA ))
)
6.000 6.000 0.000 peak 4312 weight 0.10000E+01 volume 0.36300E+00 ppm1 8.778 ppm2 4.800
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1205 and name HD2 ))
OR
(( segid " " and resid 1205 and name HD1 ))
)
3.300 3.300 0.000 peak 4313 weight 0.10000E+01 volume 0.22850E+01 ppm1 8.775 ppm2 6.645
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1206 and name HE ))
OR
(( segid " " and resid 1178 and name HD21))
)
6.000 6.000 0.000 peak 4310 weight 0.10000E+01 volume 0.18700E+00 ppm1 8.778 ppm2 7.127
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1206 and name HN ))
)
6.000 6.000 0.000 peak 4308 weight 0.10000E+01 volume 0.13500E+00 ppm1 8.782 ppm2 9.357
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1231 and name HD2 ))
OR
(( segid " " and resid 1231 and name HD1 ))
)
5.000 5.000 0.000 peak 4299 weight 0.10000E+01 volume 0.59000E+00 ppm1 7.759 ppm2 3.112
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1205 and name HA ))
)
3.300 3.300 0.000 peak 4292 weight 0.10000E+01 volume 0.30070E+01 ppm1 7.756 ppm2 4.785
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1231 and name HG2 ))
OR
(( segid " " and resid 1231 and name HG1 ))
OR
(( segid " " and resid 1230 and name HB2 ))
)
2.700 2.700 0.000 peak 4303 weight 0.10000E+01 volume 0.43500E+01 ppm1 7.751 ppm2 1.423
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1231 and name HB2 ))
)
2.700 2.700 0.000 peak 4302 weight 0.10000E+01 volume 0.41310E+01 ppm1 7.752 ppm2 1.544
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1231 and name HB1 ))
)
3.300 3.300 0.000 peak 4301 weight 0.10000E+01 volume 0.29650E+01 ppm1 7.755 ppm2 1.687
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1205 and name HB2 ))
OR
(( segid " " and resid 1201 and name HB2 ))
)
5.000 5.000 0.000 peak 4298 weight 0.10000E+01 volume 0.49300E+00 ppm1 7.756 ppm2 2.657
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1230 and name HE2 ))
OR
(( segid " " and resid 1230 and name HE1 ))
OR
(( segid " " and resid 1178 and name HB1 ))
)
6.000 6.000 0.000 peak 4297 weight 0.10000E+01 volume 0.39000E+00 ppm1 7.758 ppm2 2.785
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1204 and name HA2 ))
)
6.000 6.000 0.000 peak 4296 weight 0.10000E+01 volume 0.25900E+00 ppm1 7.757 ppm2 3.563
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1231 and name HA ))
)
2.700 2.700 0.000 peak 4293 weight 0.10000E+01 volume 0.39410E+01 ppm1 7.756 ppm2 3.995
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1229 and name HA ))
OR
(( segid " " and resid 1206 and name HA ))
)
5.000 5.000 0.000 peak 4291 weight 0.10000E+01 volume 0.51900E+00 ppm1 7.757 ppm2 4.947
ASSI (
(( segid " " and resid 1107 and name HN ))
)(
(( segid " " and resid 1107 and name HA1 ))
)
2.700 2.700 0.000 peak 9247 weight 0.10000E+01 volume 0.41530E+01 ppm1 8.245 ppm2 3.790
ASSI (
(( segid " " and resid 1107 and name HN ))
)(
(( segid " " and resid 1107 and name HA2 ))
)
2.700 2.700 0.000 peak 9248 weight 0.10000E+01 volume 0.55830E+01 ppm1 8.244 ppm2 3.461
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1107 and name HA2 ))
)
3.300 3.300 0.000 peak 6715 weight 0.10000E+01 volume 0.17520E+01 ppm1 7.493 ppm2 3.470
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1108 and name HG1 ))
)
3.300 3.300 0.000 peak 6712 weight 0.10000E+01 volume 0.21550E+01 ppm1 7.490 ppm2 1.388
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1108 and name HG2 ))
)
5.000 5.000 0.000 peak 6713 weight 0.10000E+01 volume 0.13450E+01 ppm1 7.490 ppm2 1.272
ASSI (
(( segid " " and resid 1108 and name HN ))
)(
(( segid " " and resid 1109 and name HN ))
)
5.000 5.000 0.000 peak 6131 weight 0.10000E+01 volume 0.68100E+00 ppm1 7.492 ppm2 8.623
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1109 and name HB1 ))
)
5.000 5.000 0.000 peak 6140 weight 0.10000E+01 volume 0.14240E+01 ppm1 8.618 ppm2 2.887
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1110 and name HN ))
)
5.000 5.000 0.000 peak 6114 weight 0.10000E+01 volume 0.54700E+00 ppm1 8.622 ppm2 8.114
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1128 and name HN ))
)
5.000 5.000 0.000 peak 5920 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.619 ppm2 8.949
ASSI (
(( segid " " and resid 1109 and name HN ))
)(
(( segid " " and resid 1157 and name HE1 ))
)
6.000 6.000 0.000 peak 5518 weight 0.10000E+01 volume 0.20600E+00 ppm1 8.616 ppm2 9.749
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1109 and name HB1 ))
)
3.300 3.300 0.000 peak 6123 weight 0.10000E+01 volume -0.20390E+01 ppm1 8.113 ppm2 2.874
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1109 and name HB2 ))
)
5.000 5.000 0.000 peak 6125 weight 0.10000E+01 volume -0.12540E+01 ppm1 8.112 ppm2 2.046
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1110 and name HA1 ))
)
3.300 3.300 0.000 peak 6117 weight 0.10000E+01 volume -0.20030E+01 ppm1 8.113 ppm2 4.697
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1110 and name HA2 ))
)
3.300 3.300 0.000 peak 6120 weight 0.10000E+01 volume -0.29440E+01 ppm1 8.113 ppm2 3.953
ASSI (
(( segid " " and resid 1110 and name HN ))
)(
(( segid " " and resid 1157 and name HE1 ))
)
5.000 5.000 0.000 peak 6112 weight 0.10000E+01 volume -0.62200E+00 ppm1 8.113 ppm2 9.757
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1114 and name HB1 ))
)
3.300 3.300 0.000 peak 6104 weight 0.10000E+01 volume 0.19240E+01 ppm1 8.703 ppm2 2.184
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1116 and name HN ))
)
5.000 5.000 0.000 peak 6093 weight 0.10000E+01 volume 0.59800E+00 ppm1 8.702 ppm2 8.170
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1118 and name HN ))
)
6.000 6.000 0.000 peak 6048 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.707 ppm2 7.235
ASSI (
(( segid " " and resid 1115 and name HN ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
5.000 5.000 0.000 peak 6094 weight 0.10000E+01 volume 0.75600E+00 ppm1 8.705 ppm2 6.412
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1115 and name HG23))
OR
(( segid " " and resid 1115 and name HG22))
OR
(( segid " " and resid 1115 and name HG21))
)
3.300 3.300 0.000 peak 6091 weight 0.10000E+01 volume 0.21890E+01 ppm1 8.169 ppm2 0.416
ASSI (
(( segid " " and resid 1116 and name HN ))
)(
(( segid " " and resid 1117 and name HN ))
)
5.000 5.000 0.000 peak 6072 weight 0.10000E+01 volume 0.71100E+00 ppm1 8.171 ppm2 8.874
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1116 and name HA ))
)
2.700 2.700 0.000 peak 6077 weight 0.10000E+01 volume 0.60570E+01 ppm1 8.869 ppm2 4.339
ASSI (
(( segid " " and resid 1117 and name HN ))
)(
(( segid " " and resid 1118 and name HN ))
)
3.300 3.300 0.000 peak 6050 weight 0.10000E+01 volume 0.17900E+01 ppm1 8.871 ppm2 7.237
ASSI (
(( segid " " and resid 1117 and name HD22))
)(
(( segid " " and resid 1116 and name HB2 ))
OR
(( segid " " and resid 1116 and name HB1 ))
)
5.000 5.000 0.000 peak 8436 weight 0.10000E+01 volume 0.81900E+00 ppm1 6.628 ppm2 2.491
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1118 and name HA1 ))
)
5.000 5.000 0.000 peak 6056 weight 0.10000E+01 volume -0.15860E+01 ppm1 7.234 ppm2 4.522
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1118 and name HA2 ))
)
3.300 3.300 0.000 peak 6058 weight 0.10000E+01 volume -0.27330E+01 ppm1 7.233 ppm2 3.815
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1119 and name HN ))
)
5.000 5.000 0.000 peak 6025 weight 0.10000E+01 volume -0.64300E+00 ppm1 7.233 ppm2 8.545
ASSI (
(( segid " " and resid 1118 and name HN ))
)(
(( segid " " and resid 1139 and name HN ))
)
6.000 6.000 0.000 peak 5766 weight 0.10000E+01 volume -0.36600E+00 ppm1 7.233 ppm2 8.341
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 6027 weight 0.10000E+01 volume 0.12500E+00 ppm1 8.544 ppm2 6.419
ASSI (
(( segid " " and resid 1119 and name HN ))
)(
(( segid " " and resid 1137 and name HN ))
)
5.000 5.000 0.000 peak 5800 weight 0.10000E+01 volume 0.13560E+01 ppm1 8.538 ppm2 8.771
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1120 and name HG11))
)
3.300 3.300 0.000 peak 6019 weight 0.10000E+01 volume 0.25760E+01 ppm1 8.488 ppm2 1.408
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1120 and name HG12))
)
2.700 2.700 0.000 peak 6020 weight 0.10000E+01 volume 0.42330E+01 ppm1 8.483 ppm2 0.740
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1122 and name HN ))
)
6.000 6.000 0.000 peak 5992 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.489 ppm2 7.056
ASSI (
(( segid " " and resid 1120 and name HN ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 6014 weight 0.10000E+01 volume 0.25300E+00 ppm1 8.489 ppm2 6.416
ASSI (
(( segid " " and resid 1121 and name HN ))
)(
(( segid " " and resid 1120 and name HN ))
)
5.000 5.000 0.000 peak 5977 weight 0.10000E+01 volume 0.45600E+00 ppm1 8.256 ppm2 8.495
ASSI (
(( segid " " and resid 1121 and name HN ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
6.000 6.000 0.000 peak 9447 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.255 ppm2 0.576
ASSI (
(( segid " " and resid 1121 and name HN ))
)(
(( segid " " and resid 1137 and name HN ))
)
6.000 6.000 0.000 peak 5801 weight 0.10000E+01 volume 0.31800E+00 ppm1 8.256 ppm2 8.773
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
5.000 5.000 0.000 peak 6005 weight 0.10000E+01 volume 0.13190E+01 ppm1 7.056 ppm2 0.479
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1120 and name HG23))
OR
(( segid " " and resid 1120 and name HG22))
OR
(( segid " " and resid 1120 and name HG21))
)
5.000 5.000 0.000 peak 6006 weight 0.10000E+01 volume 0.15030E+01 ppm1 7.057 ppm2 0.079
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1121 and name HN ))
)
3.300 3.300 0.000 peak 5979 weight 0.10000E+01 volume 0.27910E+01 ppm1 7.055 ppm2 8.256
ASSI (
(( segid " " and resid 1122 and name HN ))
)(
(( segid " " and resid 1123 and name HN ))
)
3.300 3.300 0.000 peak 5983 weight 0.10000E+01 volume 0.17060E+01 ppm1 7.056 ppm2 8.299
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1120 and name HD13))
OR
(( segid " " and resid 1120 and name HD12))
OR
(( segid " " and resid 1120 and name HD11))
)
6.000 6.000 0.000 peak 5991 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.299 ppm2 0.490
ASSI (
(( segid " " and resid 1123 and name HN ))
)(
(( segid " " and resid 1123 and name HD2 ))
OR
(( segid " " and resid 1123 and name HD1 ))
)
5.000 5.000 0.000 peak 5984 weight 0.10000E+01 volume 0.48000E+00 ppm1 8.301 ppm2 7.246
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1126 and name HN ))
)
5.000 5.000 0.000 peak 5951 weight 0.10000E+01 volume 0.48200E+00 ppm1 7.721 ppm2 8.332
ASSI (
(( segid " " and resid 1125 and name HN ))
)(
(( segid " " and resid 1127 and name HN ))
)
6.000 6.000 0.000 peak 5939 weight 0.10000E+01 volume 0.30800E+00 ppm1 7.721 ppm2 6.969
ASSI (
(( segid " " and resid 1126 and name HN ))
)(
(( segid " " and resid 1127 and name HN ))
)
2.700 2.700 0.000 peak 5937 weight 0.10000E+01 volume 0.35510E+01 ppm1 8.329 ppm2 6.971
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
2.700 2.700 0.000 peak 5948 weight 0.10000E+01 volume 0.54170E+01 ppm1 6.968 ppm2 0.811
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1128 and name HN ))
)
5.000 5.000 0.000 peak 5925 weight 0.10000E+01 volume 0.44600E+00 ppm1 6.966 ppm2 8.949
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
2.700 2.700 0.000 peak 5935 weight 0.10000E+01 volume 0.32680E+01 ppm1 8.943 ppm2 0.810
ASSI (
(( segid " " and resid 1128 and name HN ))
)(
(( segid " " and resid 1129 and name HN ))
)
5.000 5.000 0.000 peak 5516 weight 0.10000E+01 volume 0.41500E+00 ppm1 8.944 ppm2 8.327
ASSI (
(( segid " " and resid 1129 and name HN ))
)(
(( segid " " and resid 1125 and name HB1 ))
)
6.000 6.000 0.000 peak 5917 weight 0.10000E+01 volume 0.20600E+00 ppm1 8.329 ppm2 1.250
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1132 and name HN ))
)
5.000 5.000 0.000 peak 5875 weight 0.10000E+01 volume 0.10170E+01 ppm1 8.994 ppm2 7.837
ASSI (
(( segid " " and resid 1131 and name HN ))
)(
(( segid " " and resid 1152 and name HN ))
)
6.000 6.000 0.000 peak 5342 weight 0.10000E+01 volume 0.34700E+00 ppm1 8.992 ppm2 8.339
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1133 and name HN ))
)
5.000 5.000 0.000 peak 5860 weight 0.10000E+01 volume 0.57900E+00 ppm1 7.838 ppm2 8.472
ASSI (
(( segid " " and resid 1132 and name HN ))
)(
(( segid " " and resid 1152 and name HN ))
)
5.000 5.000 0.000 peak 5614 weight 0.10000E+01 volume 0.67600E+00 ppm1 7.839 ppm2 8.329
ASSI (
(( segid " " and resid 1133 and name HN ))
)(
(( segid " " and resid 1134 and name HN ))
)
5.000 5.000 0.000 peak 5858 weight 0.10000E+01 volume 0.48200E+00 ppm1 8.473 ppm2 8.242
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
5.000 5.000 0.000 peak 5840 weight 0.10000E+01 volume 0.66600E+00 ppm1 8.244 ppm2 0.559
ASSI (
(( segid " " and resid 1134 and name HN ))
)(
(( segid " " and resid 1150 and name HN ))
)
5.000 5.000 0.000 peak 5654 weight 0.10000E+01 volume 0.10880E+01 ppm1 8.244 ppm2 8.721
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1134 and name HG13))
OR
(( segid " " and resid 1134 and name HG12))
OR
(( segid " " and resid 1134 and name HG11))
)
3.300 3.300 0.000 peak 5830 weight 0.10000E+01 volume 0.20130E+01 ppm1 8.287 ppm2 0.561
ASSI (
(( segid " " and resid 1135 and name HN ))
)(
(( segid " " and resid 1134 and name HG23))
OR
(( segid " " and resid 1134 and name HG22))
OR
(( segid " " and resid 1134 and name HG21))
)
3.300 3.300 0.000 peak 5829 weight 0.10000E+01 volume 0.19190E+01 ppm1 8.286 ppm2 0.074
ASSI (
(( segid " " and resid 1136 and name HN ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 6174 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.351 ppm2 6.418
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 5805 weight 0.10000E+01 volume 0.24500E+00 ppm1 8.777 ppm2 6.422
ASSI (
(( segid " " and resid 1137 and name HN ))
)(
(( segid " " and resid 1138 and name HN ))
)
5.000 5.000 0.000 peak 5298 weight 0.10000E+01 volume 0.65000E+00 ppm1 8.769 ppm2 8.866
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1139 and name HN ))
)
6.000 6.000 0.000 peak 5764 weight 0.10000E+01 volume 0.34400E+00 ppm1 8.862 ppm2 8.345
ASSI (
(( segid " " and resid 1138 and name HN ))
)(
(( segid " " and resid 1144 and name HN ))
)
6.000 6.000 0.000 peak 5782 weight 0.10000E+01 volume 0.22400E+00 ppm1 8.861 ppm2 8.560
ASSI (
(( segid " " and resid 1139 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
5.000 5.000 0.000 peak 5695 weight 0.10000E+01 volume 0.58200E+00 ppm1 8.343 ppm2 6.649
ASSI (
(( segid " " and resid 1140 and name HN ))
)(
(( segid " " and resid 1140 and name HB1 ))
)
2.700 2.700 0.000 peak 5745 weight 0.10000E+01 volume 0.44110E+01 ppm1 8.460 ppm2 2.793
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1142 and name HE2 ))
OR
(( segid " " and resid 1142 and name HE1 ))
)
5.000 5.000 0.000 peak 5734 weight 0.10000E+01 volume 0.60800E+00 ppm1 8.431 ppm2 6.177
ASSI (
(( segid " " and resid 1142 and name HN ))
)(
(( segid " " and resid 1143 and name HN ))
)
6.000 6.000 0.000 peak 6199 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.432 ppm2 7.869
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1142 and name HD2 ))
OR
(( segid " " and resid 1142 and name HD1 ))
)
5.000 5.000 0.000 peak 6200 weight 0.10000E+01 volume 0.50300E+00 ppm1 7.871 ppm2 6.651
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1144 and name HN ))
)
6.000 6.000 0.000 peak 6184 weight 0.10000E+01 volume 0.23700E+00 ppm1 7.872 ppm2 8.572
ASSI (
(( segid " " and resid 1143 and name HN ))
)(
(( segid " " and resid 1164 and name HN ))
)
5.000 5.000 0.000 peak 5396 weight 0.10000E+01 volume 0.60400E+00 ppm1 7.874 ppm2 9.536
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1144 and name HN ))
)
5.000 5.000 0.000 peak 5411 weight 0.10000E+01 volume 0.53100E+00 ppm1 9.402 ppm2 8.547
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1162 and name HN ))
)
5.000 5.000 0.000 peak 5433 weight 0.10000E+01 volume 0.14870E+01 ppm1 9.405 ppm2 8.040
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1163 and name HN ))
)
6.000 6.000 0.000 peak 5412 weight 0.10000E+01 volume 0.95000E-01 ppm1 9.407 ppm2 8.998
ASSI (
(( segid " " and resid 1145 and name HN ))
)(
(( segid " " and resid 1164 and name HN ))
)
5.000 5.000 0.000 peak 5720 weight 0.10000E+01 volume 0.50600E+00 ppm1 9.400 ppm2 9.533
ASSI (
(( segid " " and resid 1146 and name HN ))
)(
(( segid " " and resid 1144 and name HG ))
)
6.000 6.000 0.000 peak 5718 weight 0.10000E+01 volume 0.21700E+00 ppm1 8.529 ppm2 1.330
ASSI (
(( segid " " and resid 1148 and name HN ))
)(
(( segid " " and resid 1148 and name HG2 ))
)
5.000 5.000 0.000 peak 5706 weight 0.10000E+01 volume 0.98100E+00 ppm1 8.145 ppm2 1.457
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1148 and name HG2 ))
)
5.000 5.000 0.000 peak 5690 weight 0.10000E+01 volume 0.11430E+01 ppm1 7.718 ppm2 1.467
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1149 and name HB1 ))
)
2.700 2.700 0.000 peak 5688 weight 0.10000E+01 volume 0.39540E+01 ppm1 7.718 ppm2 1.698
ASSI (
(( segid " " and resid 1149 and name HN ))
)(
(( segid " " and resid 1150 and name HN ))
)
5.000 5.000 0.000 peak 5656 weight 0.10000E+01 volume 0.52900E+00 ppm1 7.719 ppm2 8.724
ASSI (
(( segid " " and resid 1150 and name HN ))
)(
(( segid " " and resid 1136 and name HE2 ))
OR
(( segid " " and resid 1136 and name HE1 ))
)
6.000 6.000 0.000 peak 5658 weight 0.10000E+01 volume 0.28700E+00 ppm1 8.721 ppm2 6.411
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1150 and name HG23))
OR
(( segid " " and resid 1150 and name HG22))
OR
(( segid " " and resid 1150 and name HG21))
)
5.000 5.000 0.000 peak 5650 weight 0.10000E+01 volume 0.12200E+01 ppm1 8.416 ppm2 0.737
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1157 and name HH2 ))
)
6.000 6.000 0.000 peak 5636 weight 0.10000E+01 volume 0.94000E-01 ppm1 8.424 ppm2 6.729
ASSI (
(( segid " " and resid 1151 and name HN ))
)(
(( segid " " and resid 1158 and name HN ))
)
5.000 5.000 0.000 peak 5472 weight 0.10000E+01 volume 0.94700E+00 ppm1 8.414 ppm2 8.153
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1133 and name HA ))
)
5.000 5.000 0.000 peak 5618 weight 0.10000E+01 volume 0.10170E+01 ppm1 8.330 ppm2 6.001
ASSI (
(( segid " " and resid 1152 and name HN ))
)(
(( segid " " and resid 1153 and name HN ))
)
6.000 6.000 0.000 peak 5593 weight 0.10000E+01 volume 0.29900E+00 ppm1 8.331 ppm2 8.715
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1154 and name HN ))
)
5.000 5.000 0.000 peak 4468 weight 0.10000E+01 volume 0.69500E+00 ppm1 8.713 ppm2 9.190
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1155 and name HN ))
)
6.000 6.000 0.000 peak 5562 weight 0.10000E+01 volume 0.28900E+00 ppm1 8.715 ppm2 7.659
ASSI (
(( segid " " and resid 1153 and name HN ))
)(
(( segid " " and resid 1158 and name HN ))
)
5.000 5.000 0.000 peak 5476 weight 0.10000E+01 volume 0.55400E+00 ppm1 8.714 ppm2 8.158
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1153 and name HB2 ))
OR
(( segid " " and resid 1153 and name HB1 ))
)
3.300 3.300 0.000 peak 5590 weight 0.10000E+01 volume 0.23100E+01 ppm1 9.187 ppm2 1.700
ASSI (
(( segid " " and resid 1154 and name HN ))
)(
(( segid " " and resid 1155 and name HN ))
)
5.000 5.000 0.000 peak 5561 weight 0.10000E+01 volume 0.16130E+01 ppm1 9.185 ppm2 7.659
ASSI (
(( segid " " and resid 1154 and name HD21))
)(
(( segid " " and resid 1154 and name HN ))
)
6.000 6.000 0.000 peak 8830 weight 0.10000E+01 volume 0.91000E-01 ppm1 7.549 ppm2 9.199
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1153 and name HN ))
)
3.300 3.300 0.000 peak 5542 weight 0.10000E+01 volume 0.20640E+01 ppm1 7.545 ppm2 8.717
ASSI (
(( segid " " and resid 1156 and name HN ))
)(
(( segid " " and resid 1154 and name HN ))
)
6.000 6.000 0.000 peak 5540 weight 0.10000E+01 volume 0.28000E+00 ppm1 7.544 ppm2 9.190
ASSI (
(( segid " " and resid 1157 and name HN ))
)(
(( segid " " and resid 1158 and name HN ))
)
5.000 5.000 0.000 peak 5474 weight 0.10000E+01 volume 0.53700E+00 ppm1 8.542 ppm2 8.152
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1109 and name HB1 ))
)
3.300 3.300 0.000 peak 5530 weight 0.10000E+01 volume 0.17970E+01 ppm1 9.751 ppm2 2.865
ASSI (
(( segid " " and resid 1157 and name HE1 ))
)(
(( segid " " and resid 1157 and name HD1 ))
)
2.700 2.700 0.000 peak 5519 weight 0.10000E+01 volume 0.34560E+01 ppm1 9.748 ppm2 7.113
ASSI (
(( segid " " and resid 1158 and name HN ))
)(
(( segid " " and resid 1159 and name HN ))
)
5.000 5.000 0.000 peak 5454 weight 0.10000E+01 volume 0.54600E+00 ppm1 8.154 ppm2 7.955
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1159 and name HB1 ))
)
2.700 2.700 0.000 peak 5464 weight 0.10000E+01 volume 0.39660E+01 ppm1 7.954 ppm2 2.014
ASSI (
(( segid " " and resid 1159 and name HN ))
)(
(( segid " " and resid 1159 and name HB2 ))
)
2.700 2.700 0.000 peak 5465 weight 0.10000E+01 volume 0.45360E+01 ppm1 7.956 ppm2 1.931
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1162 and name HB2 ))
)
3.300 3.300 0.000 peak 5447 weight 0.10000E+01 volume 0.27570E+01 ppm1 8.041 ppm2 1.538
ASSI (
(( segid " " and resid 1162 and name HN ))
)(
(( segid " " and resid 1163 and name HN ))
)
6.000 6.000 0.000 peak 5414 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.038 ppm2 8.996
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1162 and name HA ))
)
2.700 2.700 0.000 peak 5418 weight 0.10000E+01 volume 0.46530E+01 ppm1 8.994 ppm2 4.507
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1162 and name HB1 ))
)
3.300 3.300 0.000 peak 5427 weight 0.10000E+01 volume 0.18170E+01 ppm1 8.997 ppm2 1.674
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1162 and name HB2 ))
)
5.000 5.000 0.000 peak 5426 weight 0.10000E+01 volume 0.12570E+01 ppm1 8.995 ppm2 1.537
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1163 and name HB1 ))
)
5.000 5.000 0.000 peak 5421 weight 0.10000E+01 volume 0.14080E+01 ppm1 8.997 ppm2 2.789
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1163 and name HB2 ))
)
5.000 5.000 0.000 peak 5422 weight 0.10000E+01 volume 0.99600E+00 ppm1 8.997 ppm2 2.491
ASSI (
(( segid " " and resid 1163 and name HN ))
)(
(( segid " " and resid 1164 and name HN ))
)
6.000 6.000 0.000 peak 5394 weight 0.10000E+01 volume 0.28300E+00 ppm1 9.000 ppm2 9.534
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1163 and name HA ))
)
2.700 2.700 0.000 peak 5397 weight 0.10000E+01 volume 0.33990E+01 ppm1 9.528 ppm2 5.036
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1164 and name HB2 ))
)
5.000 5.000 0.000 peak 5407 weight 0.10000E+01 volume 0.63800E+00 ppm1 9.530 ppm2 1.115
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1165 and name HN ))
)
6.000 6.000 0.000 peak 5373 weight 0.10000E+01 volume 0.24600E+00 ppm1 9.537 ppm2 9.781
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 5409 weight 0.10000E+01 volume 0.30100E+00 ppm1 9.533 ppm2 0.396
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1164 and name HA ))
)
3.300 3.300 0.000 peak 5382 weight 0.10000E+01 volume 0.18290E+01 ppm1 9.777 ppm2 4.344
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1220 and name HN ))
)
6.000 6.000 0.000 peak 5321 weight 0.10000E+01 volume 0.21600E+00 ppm1 9.777 ppm2 8.896
ASSI (
(( segid " " and resid 1165 and name HN ))
)(
(( segid " " and resid 1221 and name HN ))
)
6.000 6.000 0.000 peak 5378 weight 0.10000E+01 volume 0.30700E+00 ppm1 9.782 ppm2 6.345
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1166 and name HA ))
)
3.300 3.300 0.000 peak 5323 weight 0.10000E+01 volume 0.29800E+01 ppm1 9.414 ppm2 4.817
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1167 and name HB1 ))
)
3.300 3.300 0.000 peak 5330 weight 0.10000E+01 volume 0.17920E+01 ppm1 9.415 ppm2 2.790
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1191 and name HB1 ))
)
6.000 6.000 0.000 peak 5327 weight 0.10000E+01 volume 0.27400E+00 ppm1 9.413 ppm2 3.521
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1191 and name HN ))
)
5.000 5.000 0.000 peak 4932 weight 0.10000E+01 volume 0.12050E+01 ppm1 9.419 ppm2 8.836
ASSI (
(( segid " " and resid 1167 and name HN ))
)(
(( segid " " and resid 1192 and name HA ))
)
5.000 5.000 0.000 peak 5325 weight 0.10000E+01 volume 0.67800E+00 ppm1 9.416 ppm2 4.227
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1167 and name HB1 ))
)
5.000 5.000 0.000 peak 5307 weight 0.10000E+01 volume 0.10410E+01 ppm1 8.529 ppm2 2.774
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1167 and name HB2 ))
)
5.000 5.000 0.000 peak 5308 weight 0.10000E+01 volume 0.70800E+00 ppm1 8.529 ppm2 2.683
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1168 and name HB ))
)
3.300 3.300 0.000 peak 5309 weight 0.10000E+01 volume 0.22570E+01 ppm1 8.530 ppm2 1.883
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
3.300 3.300 0.000 peak 5313 weight 0.10000E+01 volume 0.27900E+01 ppm1 8.531 ppm2 0.805
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1169 and name HN ))
)
5.000 5.000 0.000 peak 5275 weight 0.10000E+01 volume 0.41900E+00 ppm1 8.535 ppm2 8.216
ASSI (
(( segid " " and resid 1168 and name HN ))
)(
(( segid " " and resid 1223 and name HD13))
OR
(( segid " " and resid 1223 and name HD12))
OR
(( segid " " and resid 1223 and name HD11))
)
6.000 6.000 0.000 peak 5315 weight 0.10000E+01 volume 0.15800E+00 ppm1 8.531 ppm2 0.516
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1168 and name HA ))
)
2.700 2.700 0.000 peak 5281 weight 0.10000E+01 volume 0.54460E+01 ppm1 8.219 ppm2 4.181
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1168 and name HG23))
OR
(( segid " " and resid 1168 and name HG22))
OR
(( segid " " and resid 1168 and name HG21))
OR
(( segid " " and resid 1168 and name HG13))
OR
(( segid " " and resid 1168 and name HG12))
OR
(( segid " " and resid 1168 and name HG11))
)
3.300 3.300 0.000 peak 5290 weight 0.10000E+01 volume 0.23360E+01 ppm1 8.218 ppm2 0.799
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1170 and name HN ))
)
6.000 6.000 0.000 peak 5254 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.216 ppm2 7.925
ASSI (
(( segid " " and resid 1169 and name HN ))
)(
(( segid " " and resid 1191 and name HN ))
)
6.000 6.000 0.000 peak 4934 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.221 ppm2 8.839
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1171 and name HN ))
)
6.000 6.000 0.000 peak 5100 weight 0.10000E+01 volume 0.28700E+00 ppm1 7.926 ppm2 8.997
ASSI (
(( segid " " and resid 1170 and name HN ))
)(
(( segid " " and resid 1173 and name HN ))
)
6.000 6.000 0.000 peak 5255 weight 0.10000E+01 volume 0.24700E+00 ppm1 7.922 ppm2 7.349
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1171 and name HA ))
)
3.300 3.300 0.000 peak 5243 weight 0.10000E+01 volume 0.19030E+01 ppm1 8.990 ppm2 4.087
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1171 and name HB2 ))
OR
(( segid " " and resid 1171 and name HB1 ))
)
2.700 2.700 0.000 peak 5251 weight 0.10000E+01 volume 0.34910E+01 ppm1 8.988 ppm2 1.850
ASSI (
(( segid " " and resid 1171 and name HN ))
)(
(( segid " " and resid 1172 and name HN ))
)
3.300 3.300 0.000 peak 5223 weight 0.10000E+01 volume 0.18140E+01 ppm1 8.990 ppm2 8.334
ASSI (
(( segid " " and resid 1172 and name HN ))
)(
(( segid " " and resid 1173 and name HN ))
)
5.000 5.000 0.000 peak 5225 weight 0.10000E+01 volume 0.15460E+01 ppm1 8.337 ppm2 7.356
ASSI (
(( segid " " and resid 1173 and name HN ))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 5229 weight 0.10000E+01 volume 0.78300E+00 ppm1 7.355 ppm2 3.178
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1173 and name HN ))
)
5.000 5.000 0.000 peak 5204 weight 0.10000E+01 volume 0.15220E+01 ppm1 7.440 ppm2 7.346
ASSI (
(( segid " " and resid 1174 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 5190 weight 0.10000E+01 volume 0.34300E+00 ppm1 7.439 ppm2 0.355
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1174 and name HN ))
)
3.300 3.300 0.000 peak 5184 weight 0.10000E+01 volume 0.18140E+01 ppm1 7.785 ppm2 7.435
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1175 and name HB2 ))
OR
(( segid " " and resid 1175 and name HB1 ))
)
2.700 2.700 0.000 peak 5217 weight 0.10000E+01 volume 0.33680E+01 ppm1 7.786 ppm2 2.031
ASSI (
(( segid " " and resid 1175 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 5221 weight 0.10000E+01 volume 0.14100E+00 ppm1 7.787 ppm2 0.354
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1173 and name HA ))
)
5.000 5.000 0.000 peak 5175 weight 0.10000E+01 volume 0.10730E+01 ppm1 7.537 ppm2 3.175
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 5172 weight 0.10000E+01 volume 0.23300E+00 ppm1 7.534 ppm2 -0.422
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1175 and name HB2 ))
)
5.000 5.000 0.000 peak 5178 weight 0.10000E+01 volume 0.11550E+01 ppm1 7.535 ppm2 1.989
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1175 and name HN ))
)
3.300 3.300 0.000 peak 5167 weight 0.10000E+01 volume 0.21990E+01 ppm1 7.534 ppm2 7.784
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1176 and name HA ))
)
3.300 3.300 0.000 peak 5173 weight 0.10000E+01 volume 0.22170E+01 ppm1 7.535 ppm2 4.358
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1176 and name HB1 ))
)
2.700 2.700 0.000 peak 5183 weight 0.10000E+01 volume 0.38100E+01 ppm1 7.536 ppm2 2.626
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)
6.000 6.000 0.000 peak 1484 weight 0.10000E+01 volume 0.88000E-01 ppm1 7.533 ppm2 6.559
ASSI (
(( segid " " and resid 1176 and name HN ))
)(
(( segid " " and resid 1177 and name HN ))
)
3.300 3.300 0.000 peak 5166 weight 0.10000E+01 volume 0.22800E+01 ppm1 7.534 ppm2 7.874
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1173 and name HG23))
OR
(( segid " " and resid 1173 and name HG22))
OR
(( segid " " and resid 1173 and name HG21))
)
6.000 6.000 0.000 peak 6561 weight 0.10000E+01 volume 0.25600E+00 ppm1 7.875 ppm2 -0.420
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1174 and name HA ))
)
5.000 5.000 0.000 peak 6555 weight 0.10000E+01 volume 0.45300E+00 ppm1 7.876 ppm2 3.486
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1176 and name HB2 ))
)
3.300 3.300 0.000 peak 6560 weight 0.10000E+01 volume 0.21510E+01 ppm1 7.875 ppm2 2.579
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)
5.000 5.000 0.000 peak 6179 weight 0.10000E+01 volume 0.71700E+00 ppm1 7.875 ppm2 6.779
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1177 and name HE2 ))
OR
(( segid " " and resid 1177 and name HE1 ))
)
6.000 6.000 0.000 peak 6180 weight 0.10000E+01 volume 0.21500E+00 ppm1 7.873 ppm2 6.569
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1178 and name HA ))
)
5.000 5.000 0.000 peak 6178 weight 0.10000E+01 volume 0.92300E+00 ppm1 7.874 ppm2 3.920
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1178 and name HN ))
)
3.300 3.300 0.000 peak 5149 weight 0.10000E+01 volume 0.28320E+01 ppm1 7.874 ppm2 7.579
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 6562 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.875 ppm2 0.354
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1176 and name HB2 ))
)
5.000 5.000 0.000 peak 5157 weight 0.10000E+01 volume 0.51600E+00 ppm1 7.583 ppm2 2.586
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1177 and name HA ))
)
5.000 5.000 0.000 peak 5150 weight 0.10000E+01 volume 0.80300E+00 ppm1 7.581 ppm2 4.719
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1177 and name HB1 ))
)
5.000 5.000 0.000 peak 5152 weight 0.10000E+01 volume 0.54700E+00 ppm1 7.582 ppm2 3.691
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1178 and name HA ))
)
2.700 2.700 0.000 peak 5153 weight 0.10000E+01 volume 0.48040E+01 ppm1 7.582 ppm2 3.911
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1178 and name HB1 ))
)
5.000 5.000 0.000 peak 5155 weight 0.10000E+01 volume 0.83700E+00 ppm1 7.581 ppm2 2.805
ASSI (
(( segid " " and resid 1178 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 5165 weight 0.10000E+01 volume 0.18000E+00 ppm1 7.578 ppm2 0.351
ASSI (
(( segid " " and resid 1178 and name HD21))
)(
(( segid " " and resid 1177 and name HA ))
)
6.000 6.000 0.000 peak 8474 weight 0.10000E+01 volume 0.13600E+00 ppm1 7.118 ppm2 4.726
ASSI (
(( segid " " and resid 1178 and name HD22))
)(
(( segid " " and resid 1177 and name HA ))
)
6.000 6.000 0.000 peak 8475 weight 0.10000E+01 volume 0.19700E+00 ppm1 6.791 ppm2 4.726
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1178 and name HN ))
)
5.000 5.000 0.000 peak 5126 weight 0.10000E+01 volume 0.13590E+01 ppm1 7.865 ppm2 7.578
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1179 and name HA ))
)
5.000 5.000 0.000 peak 5130 weight 0.10000E+01 volume 0.53300E+00 ppm1 7.869 ppm2 5.221
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
5.000 5.000 0.000 peak 5143 weight 0.10000E+01 volume 0.96200E+00 ppm1 7.863 ppm2 0.351
ASSI (
(( segid " " and resid 1179 and name HN ))
)(
(( segid " " and resid 1180 and name HN ))
)
6.000 6.000 0.000 peak 5103 weight 0.10000E+01 volume 0.15100E+00 ppm1 7.860 ppm2 8.993
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1179 and name HA ))
)
3.300 3.300 0.000 peak 5106 weight 0.10000E+01 volume 0.27220E+01 ppm1 8.984 ppm2 5.217
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
5.000 5.000 0.000 peak 5124 weight 0.10000E+01 volume 0.43600E+00 ppm1 8.982 ppm2 0.352
ASSI (
(( segid " " and resid 1180 and name HN ))
)(
(( segid " " and resid 1179 and name HG23))
OR
(( segid " " and resid 1179 and name HG22))
OR
(( segid " " and resid 1179 and name HG21))
)
5.000 5.000 0.000 peak 5122 weight 0.10000E+01 volume 0.15250E+01 ppm1 8.981 ppm2 0.727
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1183 and name HN ))
)
5.000 5.000 0.000 peak 5063 weight 0.10000E+01 volume 0.73300E+00 ppm1 8.082 ppm2 8.467
ASSI (
(( segid " " and resid 1182 and name HN ))
)(
(( segid " " and resid 1200 and name HN ))
)
6.000 6.000 0.000 peak 4777 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.080 ppm2 9.045
ASSI (
(( segid " " and resid 1183 and name HE1 ))
)(
(( segid " " and resid 1183 and name HD1 ))
)
2.700 2.700 0.000 peak 5369 weight 0.10000E+01 volume 0.81000E+01 ppm1 10.074 ppm2 7.283
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1183 and name HN ))
)
5.000 5.000 0.000 peak 5043 weight 0.10000E+01 volume 0.76800E+00 ppm1 7.561 ppm2 8.474
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)
3.300 3.300 0.000 peak 5057 weight 0.10000E+01 volume 0.29310E+01 ppm1 7.562 ppm2 1.099
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1185 and name HN ))
)
3.300 3.300 0.000 peak 5033 weight 0.10000E+01 volume 0.17370E+01 ppm1 7.561 ppm2 8.255
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)
5.000 5.000 0.000 peak 5040 weight 0.10000E+01 volume 0.66500E+00 ppm1 8.254 ppm2 1.098
ASSI (
(( segid " " and resid 1185 and name HN ))
)(
(( segid " " and resid 1186 and name HN ))
)
5.000 5.000 0.000 peak 5021 weight 0.10000E+01 volume 0.16180E+01 ppm1 8.251 ppm2 7.719
ASSI (
(( segid " " and resid 1186 and name HN ))
)(
(( segid " " and resid 1187 and name HN ))
)
3.300 3.300 0.000 peak 5019 weight 0.10000E+01 volume 0.19530E+01 ppm1 7.723 ppm2 8.038
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1175 and name HB1 ))
)
2.700 2.700 0.000 peak 5012 weight 0.10000E+01 volume 0.34720E+01 ppm1 8.040 ppm2 2.028
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1175 and name HB2 ))
)
2.700 2.700 0.000 peak 5013 weight 0.10000E+01 volume 0.32450E+01 ppm1 8.041 ppm2 1.984
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1187 and name HG1 ))
)
5.000 5.000 0.000 peak 5010 weight 0.10000E+01 volume 0.72100E+00 ppm1 8.041 ppm2 2.297
ASSI (
(( segid " " and resid 1187 and name HN ))
)(
(( segid " " and resid 1187 and name HG2 ))
)
5.000 5.000 0.000 peak 5011 weight 0.10000E+01 volume 0.63300E+00 ppm1 8.041 ppm2 2.194
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1187 and name HG1 ))
)
6.000 6.000 0.000 peak 4996 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.046 ppm2 2.301
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1187 and name HG2 ))
)
6.000 6.000 0.000 peak 4997 weight 0.10000E+01 volume 0.28100E+00 ppm1 8.042 ppm2 2.204
ASSI (
(( segid " " and resid 1188 and name HN ))
)(
(( segid " " and resid 1189 and name HN ))
)
6.000 6.000 0.000 peak 4977 weight 0.10000E+01 volume 0.25900E+00 ppm1 8.046 ppm2 8.429
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1189 and name HG ))
)
3.300 3.300 0.000 peak 9371 weight 0.10000E+01 volume 0.25810E+01 ppm1 8.427 ppm2 1.516
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1190 and name HA ))
)
6.000 6.000 0.000 peak 4980 weight 0.10000E+01 volume 0.10900E+00 ppm1 8.434 ppm2 5.334
ASSI (
(( segid " " and resid 1189 and name HN ))
)(
(( segid " " and resid 1190 and name HN ))
)
5.000 5.000 0.000 peak 4975 weight 0.10000E+01 volume 0.13000E+01 ppm1 8.434 ppm2 7.366
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1190 and name HA ))
)
5.000 5.000 0.000 peak 4960 weight 0.10000E+01 volume 0.69300E+00 ppm1 7.367 ppm2 5.338
ASSI (
(( segid " " and resid 1190 and name HN ))
)(
(( segid " " and resid 1191 and name HN ))
)
6.000 6.000 0.000 peak 4936 weight 0.10000E+01 volume 0.21300E+00 ppm1 7.367 ppm2 8.841
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1166 and name HB1 ))
)
6.000 6.000 0.000 peak 4946 weight 0.10000E+01 volume 0.23200E+00 ppm1 8.831 ppm2 2.194
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1166 and name HB2 ))
)
6.000 6.000 0.000 peak 4948 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.837 ppm2 1.775
ASSI (
(( segid " " and resid 1191 and name HN ))
)(
(( segid " " and resid 1190 and name HA ))
)
3.300 3.300 0.000 peak 4938 weight 0.10000E+01 volume 0.29180E+01 ppm1 8.840 ppm2 5.337
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1193 and name HN ))
)
6.000 6.000 0.000 peak 4901 weight 0.10000E+01 volume 0.22100E+00 ppm1 8.772 ppm2 9.054
ASSI (
(( segid " " and resid 1192 and name HN ))
)(
(( segid " " and resid 1195 and name HN ))
)
6.000 6.000 0.000 peak 4856 weight 0.10000E+01 volume 0.20300E+00 ppm1 8.767 ppm2 8.024
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
3.300 3.300 0.000 peak 4895 weight 0.10000E+01 volume 0.17010E+01 ppm1 9.149 ppm2 0.395
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1195 and name HN ))
)
5.000 5.000 0.000 peak 4853 weight 0.10000E+01 volume 0.14580E+01 ppm1 9.147 ppm2 8.020
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1218 and name HB2 ))
)
6.000 6.000 0.000 peak 4889 weight 0.10000E+01 volume 0.25000E+00 ppm1 9.151 ppm2 2.804
ASSI (
(( segid " " and resid 1194 and name HN ))
)(
(( segid " " and resid 1218 and name HN ))
)
6.000 6.000 0.000 peak 4877 weight 0.10000E+01 volume 0.26600E+00 ppm1 9.151 ppm2 8.284
ASSI (
(( segid " " and resid 1196 and name HN ))
)(
(( segid " " and resid 1197 and name HN ))
)
5.000 5.000 0.000 peak 4758 weight 0.10000E+01 volume 0.47500E+00 ppm1 8.481 ppm2 8.960
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1197 and name HB ))
)
3.300 3.300 0.000 peak 4843 weight 0.10000E+01 volume 0.17280E+01 ppm1 8.951 ppm2 1.533
ASSI (
(( segid " " and resid 1197 and name HN ))
)(
(( segid " " and resid 1198 and name HN ))
)
6.000 6.000 0.000 peak 4817 weight 0.10000E+01 volume 0.37100E+00 ppm1 8.953 ppm2 7.955
ASSI (
(( segid " " and resid 1199 and name HN ))
)(
(( segid " " and resid 1200 and name HN ))
)
6.000 6.000 0.000 peak 4796 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.432 ppm2 9.035
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1179 and name HA ))
)
6.000 6.000 0.000 peak 4760 weight 0.10000E+01 volume 0.23200E+00 ppm1 8.451 ppm2 5.221
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1200 and name HB ))
)
2.700 2.700 0.000 peak 4770 weight 0.10000E+01 volume 0.32320E+01 ppm1 8.446 ppm2 2.092
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1200 and name HN ))
)
6.000 6.000 0.000 peak 4757 weight 0.10000E+01 volume 0.31100E+00 ppm1 8.449 ppm2 9.047
ASSI (
(( segid " " and resid 1201 and name HN ))
)(
(( segid " " and resid 1202 and name HN ))
)
6.000 6.000 0.000 peak 4735 weight 0.10000E+01 volume 0.38200E+00 ppm1 8.449 ppm2 7.927
ASSI (
(( segid " " and resid 1202 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 5125 weight 0.10000E+01 volume 0.10900E+00 ppm1 7.930 ppm2 0.348
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1202 and name HN ))
)
5.000 5.000 0.000 peak 4717 weight 0.10000E+01 volume 0.49000E+00 ppm1 8.286 ppm2 7.922
ASSI (
(( segid " " and resid 1203 and name HN ))
)(
(( segid " " and resid 1204 and name HN ))
)
5.000 5.000 0.000 peak 4714 weight 0.10000E+01 volume 0.49600E+00 ppm1 8.291 ppm2 8.887
ASSI (
(( segid " " and resid 1205 and name HN ))
)(
(( segid " " and resid 1206 and name HN ))
)
5.000 5.000 0.000 peak 4682 weight 0.10000E+01 volume 0.61200E+00 ppm1 8.300 ppm2 9.340
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1201 and name HB1 ))
)
6.000 6.000 0.000 peak 4692 weight 0.10000E+01 volume 0.21200E+00 ppm1 9.337 ppm2 3.022
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1207 and name HN ))
)
5.000 5.000 0.000 peak 4663 weight 0.10000E+01 volume 0.44700E+00 ppm1 9.338 ppm2 8.761
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1228 and name HA ))
)
5.000 5.000 0.000 peak 4685 weight 0.10000E+01 volume 0.64600E+00 ppm1 9.336 ppm2 5.514
ASSI (
(( segid " " and resid 1206 and name HN ))
)(
(( segid " " and resid 1231 and name HN ))
)
5.000 5.000 0.000 peak 4683 weight 0.10000E+01 volume 0.53600E+00 ppm1 9.335 ppm2 7.749
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1207 and name HD23))
OR
(( segid " " and resid 1207 and name HD22))
OR
(( segid " " and resid 1207 and name HD21))
)
5.000 5.000 0.000 peak 4675 weight 0.10000E+01 volume 0.12000E+01 ppm1 8.755 ppm2 0.931
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1208 and name HN ))
)
5.000 5.000 0.000 peak 4640 weight 0.10000E+01 volume 0.59500E+00 ppm1 8.757 ppm2 8.896
ASSI (
(( segid " " and resid 1207 and name HN ))
)(
(( segid " " and resid 1228 and name HA ))
)
6.000 6.000 0.000 peak 4665 weight 0.10000E+01 volume 0.16000E+00 ppm1 8.756 ppm2 5.516
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1209 and name HN ))
)
5.000 5.000 0.000 peak 4626 weight 0.10000E+01 volume 0.82800E+00 ppm1 8.898 ppm2 8.398
ASSI (
(( segid " " and resid 1208 and name HN ))
)(
(( segid " " and resid 1228 and name HA ))
)
3.300 3.300 0.000 peak 4643 weight 0.10000E+01 volume 0.21060E+01 ppm1 8.895 ppm2 5.517
ASSI (
(( segid " " and resid 1209 and name HN ))
)(
(( segid " " and resid 1210 and name HN ))
)
5.000 5.000 0.000 peak 4609 weight 0.10000E+01 volume 0.73900E+00 ppm1 8.404 ppm2 8.062
ASSI (
(( segid " " and resid 1210 and name HN ))
)(
(( segid " " and resid 1211 and name HN ))
)
5.000 5.000 0.000 peak 4607 weight 0.10000E+01 volume 0.11280E+01 ppm1 8.061 ppm2 7.560
ASSI (
(( segid " " and resid 1211 and name HN ))
)(
(( segid " " and resid 1212 and name HN ))
)
6.000 6.000 0.000 peak 4581 weight 0.10000E+01 volume 0.22400E+00 ppm1 7.565 ppm2 8.565
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1213 and name HN ))
)
6.000 6.000 0.000 peak 4545 weight 0.10000E+01 volume 0.31200E+00 ppm1 8.374 ppm2 7.817
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 4557 weight 0.10000E+01 volume 0.11190E+01 ppm1 8.374 ppm2 0.661
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1215 and name HN ))
)
3.300 3.300 0.000 peak 4526 weight 0.10000E+01 volume 0.24930E+01 ppm1 8.375 ppm2 7.695
ASSI (
(( segid " " and resid 1215 and name HN ))
)(
(( segid " " and resid 1216 and name HN ))
)
5.000 5.000 0.000 peak 4501 weight 0.10000E+01 volume 0.46500E+00 ppm1 7.698 ppm2 8.740
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1197 and name HN ))
)
3.300 3.300 0.000 peak 4504 weight 0.10000E+01 volume 0.17140E+01 ppm1 8.741 ppm2 8.960
ASSI (
(( segid " " and resid 1216 and name HN ))
)(
(( segid " " and resid 1217 and name HN ))
)
5.000 5.000 0.000 peak 4503 weight 0.10000E+01 volume 0.42000E+00 ppm1 8.741 ppm2 8.246
ASSI (
(( segid " " and resid 1217 and name HN ))
)(
(( segid " " and resid 1197 and name HN ))
)
6.000 6.000 0.000 peak 4498 weight 0.10000E+01 volume 0.30600E+00 ppm1 8.248 ppm2 8.954
ASSI (
(( segid " " and resid 1217 and name HN ))
)(
(( segid " " and resid 1216 and name HG23))
OR
(( segid " " and resid 1216 and name HG22))
OR
(( segid " " and resid 1216 and name HG21))
)
3.300 3.300 0.000 peak 4491 weight 0.10000E+01 volume 0.18430E+01 ppm1 8.245 ppm2 1.121
ASSI (
(( segid " " and resid 1218 and name HN ))
)(
(( segid " " and resid 1195 and name HN ))
)
5.000 5.000 0.000 peak 4472 weight 0.10000E+01 volume 0.46200E+00 ppm1 8.279 ppm2 8.022
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
5.000 5.000 0.000 peak 4917 weight 0.10000E+01 volume 0.72100E+00 ppm1 8.927 ppm2 0.414
ASSI (
(( segid " " and resid 1219 and name HN ))
)(
(( segid " " and resid 1222 and name HN ))
)
5.000 5.000 0.000 peak 4391 weight 0.10000E+01 volume 0.10450E+01 ppm1 8.926 ppm2 7.764
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1219 and name HD1 ))
)
2.700 2.700 0.000 peak 5345 weight 0.10000E+01 volume 0.87100E+01 ppm1 10.224 ppm2 7.138
ASSI (
(( segid " " and resid 1219 and name HE1 ))
)(
(( segid " " and resid 1219 and name HZ2 ))
)
2.700 2.700 0.000 peak 5344 weight 0.10000E+01 volume 0.32310E+01 ppm1 10.224 ppm2 7.390
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1193 and name HA ))
)
5.000 5.000 0.000 peak 4436 weight 0.10000E+01 volume 0.41300E+00 ppm1 8.905 ppm2 3.667
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1193 and name HB ))
)
6.000 6.000 0.000 peak 4916 weight 0.10000E+01 volume 0.21400E+00 ppm1 8.905 ppm2 3.554
ASSI (
(( segid " " and resid 1220 and name HN ))
)(
(( segid " " and resid 1221 and name HN ))
)
5.000 5.000 0.000 peak 4432 weight 0.10000E+01 volume 0.62100E+00 ppm1 8.901 ppm2 6.343
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1164 and name HA ))
)
6.000 6.000 0.000 peak 4414 weight 0.10000E+01 volume -0.35200E+00 ppm1 6.349 ppm2 4.360
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1167 and name HA ))
)
5.000 5.000 0.000 peak 4411 weight 0.10000E+01 volume -0.49400E+00 ppm1 6.348 ppm2 4.780
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1219 and name HN ))
)
5.000 5.000 0.000 peak 5379 weight 0.10000E+01 volume -0.96900E+00 ppm1 6.349 ppm2 8.924
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1221 and name HA1 ))
)
3.300 3.300 0.000 peak 4415 weight 0.10000E+01 volume -0.20220E+01 ppm1 6.349 ppm2 4.049
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1221 and name HA2 ))
)
3.300 3.300 0.000 peak 4416 weight 0.10000E+01 volume -0.20800E+01 ppm1 6.351 ppm2 3.725
ASSI (
(( segid " " and resid 1221 and name HN ))
)(
(( segid " " and resid 1222 and name HN ))
)
5.000 5.000 0.000 peak 4394 weight 0.10000E+01 volume -0.12280E+01 ppm1 6.353 ppm2 7.769
ASSI (
(( segid " " and resid 1222 and name HN ))
)(
(( segid " " and resid 1223 and name HN ))
)
5.000 5.000 0.000 peak 4392 weight 0.10000E+01 volume 0.10370E+01 ppm1 7.769 ppm2 8.143
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1179 and name HD13))
OR
(( segid " " and resid 1179 and name HD12))
OR
(( segid " " and resid 1179 and name HD11))
)
6.000 6.000 0.000 peak 5343 weight 0.10000E+01 volume -0.94000E-01 ppm1 7.964 ppm2 0.372
ASSI (
(( segid " " and resid 1227 and name HN ))
)(
(( segid " " and resid 1201 and name HB1 ))
)
6.000 6.000 0.000 peak 4353 weight 0.10000E+01 volume -0.25700E+00 ppm1 7.955 ppm2 3.035
ASSI (
(( segid " " and resid 1229 and name HN ))
)(
(( segid " " and resid 1228 and name HA ))
)
2.700 2.700 0.000 peak 4321 weight 0.10000E+01 volume 0.35350E+01 ppm1 9.805 ppm2 5.518
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1229 and name HN ))
)
6.000 6.000 0.000 peak 4309 weight 0.10000E+01 volume 0.25600E+00 ppm1 8.780 ppm2 9.827
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1230 and name HG1 ))
)
5.000 5.000 0.000 peak 4319 weight 0.10000E+01 volume 0.95900E+00 ppm1 8.776 ppm2 1.193
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1230 and name HG2 ))
)
5.000 5.000 0.000 peak 4320 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.776 ppm2 1.071
ASSI (
(( segid " " and resid 1230 and name HN ))
)(
(( segid " " and resid 1231 and name HN ))
)
5.000 5.000 0.000 peak 4307 weight 0.10000E+01 volume 0.67900E+00 ppm1 8.779 ppm2 7.754
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1230 and name HG1 ))
)
5.000 5.000 0.000 peak 4304 weight 0.10000E+01 volume 0.12510E+01 ppm1 7.756 ppm2 1.185
ASSI (
(( segid " " and resid 1231 and name HN ))
)(
(( segid " " and resid 1230 and name HG2 ))
)
5.000 5.000 0.000 peak 4305 weight 0.10000E+01 volume 0.11980E+01 ppm1 7.756 ppm2 1.072
ASSI (
(( segid " " and resid 1121 and name HN ))
)(
(( segid " " and resid 1121 and name HG23))
OR
(( segid " " and resid 1121 and name HG22))
OR
(( segid " " and resid 1121 and name HG21))
)
3.300 3.300 0.000 peak 6011 weight 0.10000E+01 volume 0.29550E+01 ppm1 8.255 ppm2 0.949
ASSI (
(( segid " " and resid 1127 and name HN ))
)(
(( segid " " and resid 1127 and name HG23))
OR
(( segid " " and resid 1127 and name HG22))
OR
(( segid " " and resid 1127 and name HG21))
OR
(( segid " " and resid 1127 and name HG13))
OR
(( segid " " and resid 1127 and name HG12))
OR
(( segid " " and resid 1127 and name HG11))
)
2.700 2.700 0.000 peak 5948 weight 0.10000E+01 volume 0.54170E+01 ppm1 6.968 ppm2 0.811
ASSI (
(( segid " " and resid 1164 and name HN ))
)(
(( segid " " and resid 1193 and name HG23))
OR
(( segid " " and resid 1193 and name HG22))
OR
(( segid " " and resid 1193 and name HG21))
)
6.000 6.000 0.000 peak 5409 weight 0.10000E+01 volume 0.30100E+00 ppm1 9.533 ppm2 0.396
ASSI (
(( segid " " and resid 1177 and name HN ))
)(
(( segid " " and resid 1177 and name HD2 ))
OR
(( segid " " and resid 1177 and name HD1 ))
)
5.000 5.000 0.000 peak 6179 weight 0.10000E+01 volume 0.71700E+00 ppm1 7.875 ppm2 6.779
ASSI (
(( segid " " and resid 1184 and name HN ))
)(
(( segid " " and resid 1184 and name HG23))
OR
(( segid " " and resid 1184 and name HG22))
OR
(( segid " " and resid 1184 and name HG21))
)
3.300 3.300 0.000 peak 5057 weight 0.10000E+01 volume 0.29310E+01 ppm1 7.562 ppm2 1.099
ASSI (
(( segid " " and resid 1214 and name HN ))
)(
(( segid " " and resid 1214 and name HD23))
OR
(( segid " " and resid 1214 and name HD22))
OR
(( segid " " and resid 1214 and name HD21))
)
5.000 5.000 0.000 peak 4557 weight 0.10000E+01 volume 0.11190E+01 ppm1 8.374 ppm2 0.661
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