NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12299 |
1ss2   |
6166 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI (
(( segid " " and resid 98 and name HG23))
OR
(( segid " " and resid 98 and name HG22))
OR
(( segid " " and resid 98 and name HG21))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 7253 weight 0.10000E+01 volume 0.75500E+00 ppm1 0.872 ppm2 7.916
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 101 and name HD2 ))
OR
(( segid " " and resid 101 and name HG1 ))
)
5.000 5.000 0.000 peak 4256 weight 0.10000E+01 volume 0.65200E+00 ppm1 1.979 ppm2 1.657
ASSI (
(( segid " " and resid 112 and name HB2 ))
)(
(( segid " " and resid 127 and name HN ))
)
5.000 5.000 0.000 peak 7255 weight 0.10000E+01 volume 0.34300E+00 ppm1 2.886 ppm2 8.264
ASSI (
(( segid " " and resid 116 and name HA1 ))
)(
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)
5.000 5.000 0.000 peak 7268 weight 0.10000E+01 volume 0.48000E+00 ppm1 3.846 ppm2 1.346
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 119 and name HA ))
)
3.300 3.300 0.000 peak 5930 weight 0.10000E+01 volume 0.19620E+01 ppm1 1.398 ppm2 4.341
ASSI (
(( segid " " and resid 118 and name HD23))
OR
(( segid " " and resid 118 and name HD22))
OR
(( segid " " and resid 118 and name HD21))
)(
(( segid " " and resid 119 and name HA ))
)
5.000 5.000 0.000 peak 5947 weight 0.10000E+01 volume 0.12550E+01 ppm1 0.840 ppm2 4.344
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 118 and name HD23))
OR
(( segid " " and resid 118 and name HD22))
OR
(( segid " " and resid 118 and name HD21))
OR
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)
5.000 5.000 0.000 peak 6003 weight 0.10000E+01 volume 0.11780E+01 ppm1 4.343 ppm2 0.842
ASSI (
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)(
(( segid " " and resid 117 and name HB2 ))
)
5.000 5.000 0.000 peak 6048 weight 0.10000E+01 volume 0.55000E+00 ppm1 1.476 ppm2 2.550
ASSI (
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)(
(( segid " " and resid 117 and name HB1 ))
)
5.000 5.000 0.000 peak 6049 weight 0.10000E+01 volume 0.39300E+00 ppm1 1.476 ppm2 2.763
ASSI (
(( segid " " and resid 149 and name HD1 ))
)(
(( segid " " and resid 100 and name HA ))
OR
(( segid " " and resid 98 and name HA ))
)
6.000 6.000 0.000 peak 4306 weight 0.10000E+01 volume 0.28000E+00 ppm1 6.435 ppm2 4.389
ASSI (
(( segid " " and resid 149 and name HD1 ))
)(
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 102 and name HB1 ))
OR
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)
5.000 5.000 0.000 peak 4305 weight 0.10000E+01 volume 0.51000E+00 ppm1 6.433 ppm2 4.026
ASSI (
(( segid " " and resid 149 and name HZ2 ))
)(
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
)
5.000 5.000 0.000 peak 4268 weight 0.10000E+01 volume 0.81700E+00 ppm1 6.969 ppm2 0.910
ASSI (
(( segid " " and resid 149 and name HZ2 ))
)(
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
OR
(( segid " " and resid 103 and name HB2 ))
)
6.000 6.000 0.000 peak 4269 weight 0.10000E+01 volume 0.25500E+00 ppm1 6.971 ppm2 2.220
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 147 and name HA1 ))
OR
(( segid " " and resid 146 and name HA ))
)
6.000 6.000 0.000 peak 5608 weight 0.10000E+01 volume 0.18900E+00 ppm1 1.740 ppm2 3.770
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 147 and name HA1 ))
OR
(( segid " " and resid 146 and name HA ))
)
6.000 6.000 0.000 peak 5609 weight 0.10000E+01 volume 0.18100E+00 ppm1 1.639 ppm2 3.769
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 108 and name HB2 ))
OR
(( segid " " and resid 106 and name HG ))
OR
(( segid " " and resid 105 and name HG23))
OR
(( segid " " and resid 105 and name HG22))
OR
(( segid " " and resid 105 and name HG21))
)
6.000 6.000 0.000 peak 5802 weight 0.10000E+01 volume 0.16200E+00 ppm1 3.896 ppm2 1.088
ASSI (
(( segid " " and resid 111 and name HB ))
)(
(( segid " " and resid 129 and name HB1 ))
OR
(( segid " " and resid 127 and name HB2 ))
OR
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 6939 weight 0.10000E+01 volume 0.14020E+01 ppm1 1.611 ppm2 1.892
ASSI (
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)(
(( segid " " and resid 113 and name HB2 ))
OR
(( segid " " and resid 110 and name HG1 ))
OR
(( segid " " and resid 106 and name HB1 ))
)
5.000 5.000 0.000 peak 6945 weight 0.10000E+01 volume 0.10380E+01 ppm1 0.743 ppm2 1.342
ASSI (
(( segid " " and resid 112 and name HZ ))
)(
(( segid " " and resid 129 and name HG1 ))
OR
(( segid " " and resid 129 and name HB2 ))
OR
(( segid " " and resid 110 and name HD1 ))
)
6.000 6.000 0.000 peak 3282 weight 0.10000E+01 volume 0.14700E+00 ppm1 7.193 ppm2 1.705
ASSI (
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)(
(( segid " " and resid 141 and name HG2 ))
OR
(( segid " " and resid 125 and name HG2 ))
OR
(( segid " " and resid 111 and name HB ))
)
6.000 6.000 0.000 peak 7347 weight 0.10000E+01 volume 0.17400E+00 ppm1 0.331 ppm2 1.620
ASSI (
(( segid " " and resid 128 and name HA ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
OR
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
OR
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
5.000 5.000 0.000 peak 6991 weight 0.10000E+01 volume 0.72100E+00 ppm1 5.026 ppm2 0.632
ASSI (
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
OR
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
OR
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
3.300 3.300 0.000 peak 4339 weight 0.10000E+01 volume 0.23460E+01 ppm1 6.975 ppm2 0.639
ASSI (
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)(
(( segid " " and resid 154 and name HG2 ))
OR
(( segid " " and resid 153 and name HG2 ))
OR
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 4346 weight 0.10000E+01 volume 0.47500E+00 ppm1 7.096 ppm2 0.344
ASSI (
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
OR
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
OR
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
5.000 5.000 0.000 peak 4344 weight 0.10000E+01 volume 0.38900E+00 ppm1 7.098 ppm2 0.622
ASSI (
(( segid " " and resid 128 and name HZ ))
)(
(( segid " " and resid 154 and name HG2 ))
OR
(( segid " " and resid 153 and name HG2 ))
OR
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 4302 weight 0.10000E+01 volume 0.45600E+00 ppm1 6.845 ppm2 0.344
ASSI (
(( segid " " and resid 128 and name HZ ))
)(
(( segid " " and resid 153 and name HB2 ))
OR
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
OR
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
OR
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)
6.000 6.000 0.000 peak 4358 weight 0.10000E+01 volume 0.11500E+00 ppm1 6.843 ppm2 0.511
ASSI (
(( segid " " and resid 130 and name HA ))
)(
(( segid " " and resid 131 and name HN ))
OR
(( segid " " and resid 130 and name HN ))
OR
(( segid " " and resid 110 and name HN ))
)
2.700 2.700 0.000 peak 6260 weight 0.10000E+01 volume 0.37770E+01 ppm1 5.038 ppm2 8.998
ASSI (
(( segid " " and resid 130 and name HB1 ))
)(
(( segid " " and resid 131 and name HN ))
OR
(( segid " " and resid 130 and name HN ))
OR
(( segid " " and resid 110 and name HN ))
)
5.000 5.000 0.000 peak 6265 weight 0.10000E+01 volume 0.14280E+01 ppm1 3.056 ppm2 8.997
ASSI (
(( segid " " and resid 130 and name HB2 ))
)(
(( segid " " and resid 131 and name HN ))
OR
(( segid " " and resid 130 and name HN ))
)
3.300 3.300 0.000 peak 6121 weight 0.10000E+01 volume 0.21510E+01 ppm1 2.563 ppm2 9.002
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 158 and name HN ))
OR
(( segid " " and resid 133 and name HN ))
)
5.000 5.000 0.000 peak 6370 weight 0.10000E+01 volume 0.31300E+00 ppm1 4.938 ppm2 8.583
ASSI (
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)(
(( segid " " and resid 158 and name HN ))
OR
(( segid " " and resid 133 and name HN ))
)
5.000 5.000 0.000 peak 4317 weight 0.10000E+01 volume 0.30300E+00 ppm1 6.807 ppm2 8.589
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 158 and name HN ))
OR
(( segid " " and resid 133 and name HN ))
)
6.000 6.000 0.000 peak 4347 weight 0.10000E+01 volume 0.21400E+00 ppm1 7.273 ppm2 8.593
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 155 and name HA ))
OR
(( segid " " and resid 154 and name HA ))
OR
(( segid " " and resid 129 and name HA ))
)
5.000 5.000 0.000 peak 6448 weight 0.10000E+01 volume 0.33900E+00 ppm1 0.542 ppm2 4.695
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 156 and name HA ))
OR
(( segid " " and resid 130 and name HA ))
OR
(( segid " " and resid 128 and name HA ))
)
6.000 6.000 0.000 peak 6449 weight 0.10000E+01 volume 0.28800E+00 ppm1 0.542 ppm2 5.055
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 149 and name HZ3 ))
OR
(( segid " " and resid 128 and name HZ ))
)
6.000 6.000 0.000 peak 7434 weight 0.10000E+01 volume 0.27300E+00 ppm1 3.848 ppm2 6.833
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 149 and name HZ3 ))
OR
(( segid " " and resid 128 and name HZ ))
)
6.000 6.000 0.000 peak 7438 weight 0.10000E+01 volume 0.21700E+00 ppm1 3.784 ppm2 6.829
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 145 and name HB2 ))
)
6.000 6.000 0.000 peak 7083 weight 0.10000E+01 volume 0.18700E+00 ppm1 0.970 ppm2 3.639
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
OR
(( segid " " and resid 150 and name HA ))
OR
(( segid " " and resid 144 and name HA ))
)
5.000 5.000 0.000 peak 7085 weight 0.10000E+01 volume 0.30400E+00 ppm1 0.969 ppm2 4.302
ASSI (
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
)(
(( segid " " and resid 145 and name HB2 ))
)
5.000 5.000 0.000 peak 7093 weight 0.10000E+01 volume 0.56300E+00 ppm1 0.916 ppm2 3.634
ASSI (
(( segid " " and resid 145 and name HB1 ))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
OR
(( segid " " and resid 150 and name HA ))
OR
(( segid " " and resid 144 and name HA ))
)
6.000 6.000 0.000 peak 7143 weight 0.10000E+01 volume 0.12500E+00 ppm1 3.726 ppm2 4.277
ASSI (
(( segid " " and resid 145 and name HB1 ))
)(
(( segid " " and resid 148 and name HB1 ))
OR
(( segid " " and resid 146 and name HB2 ))
OR
(( segid " " and resid 143 and name HB ))
OR
(( segid " " and resid 99 and name HB2 ))
)
6.000 6.000 0.000 peak 7142 weight 0.10000E+01 volume 0.85000E-01 ppm1 3.726 ppm2 2.038
ASSI (
(( segid " " and resid 145 and name HB2 ))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
OR
(( segid " " and resid 150 and name HA ))
OR
(( segid " " and resid 144 and name HA ))
)
6.000 6.000 0.000 peak 7150 weight 0.10000E+01 volume 0.14200E+00 ppm1 3.633 ppm2 4.281
ASSI (
(( segid " " and resid 145 and name HB2 ))
)(
(( segid " " and resid 148 and name HB1 ))
OR
(( segid " " and resid 146 and name HB2 ))
OR
(( segid " " and resid 143 and name HB ))
OR
(( segid " " and resid 99 and name HB2 ))
)
6.000 6.000 0.000 peak 7148 weight 0.10000E+01 volume 0.89000E-01 ppm1 3.634 ppm2 2.037
ASSI (
(( segid " " and resid 147 and name HA1 ))
)(
(( segid " " and resid 97 and name HG2 ))
OR
(( segid " " and resid 97 and name HG1 ))
OR
(( segid " " and resid 97 and name HB2 ))
)
5.000 5.000 0.000 peak 7175 weight 0.10000E+01 volume 0.47600E+00 ppm1 3.768 ppm2 1.635
ASSI (
(( segid " " and resid 147 and name HA1 ))
)(
(( segid " " and resid 98 and name HB ))
OR
(( segid " " and resid 97 and name HB1 ))
)
5.000 5.000 0.000 peak 7174 weight 0.10000E+01 volume 0.44100E+00 ppm1 3.769 ppm2 1.744
ASSI (
(( segid " " and resid 147 and name HA1 ))
)(
(( segid " " and resid 100 and name HA ))
OR
(( segid " " and resid 98 and name HA ))
OR
(( segid " " and resid 97 and name HA ))
)
5.000 5.000 0.000 peak 7176 weight 0.10000E+01 volume 0.41900E+00 ppm1 3.766 ppm2 4.355
ASSI (
(( segid " " and resid 147 and name HA2 ))
)(
(( segid " " and resid 100 and name HA ))
OR
(( segid " " and resid 98 and name HA ))
OR
(( segid " " and resid 97 and name HA ))
)
5.000 5.000 0.000 peak 7181 weight 0.10000E+01 volume 0.61000E+00 ppm1 3.216 ppm2 4.362
ASSI (
(( segid " " and resid 147 and name HA2 ))
)(
(( segid " " and resid 97 and name HG2 ))
OR
(( segid " " and resid 97 and name HG1 ))
OR
(( segid " " and resid 97 and name HB2 ))
)
6.000 6.000 0.000 peak 7184 weight 0.10000E+01 volume 0.28200E+00 ppm1 3.214 ppm2 1.637
ASSI (
(( segid " " and resid 147 and name HA2 ))
)(
(( segid " " and resid 98 and name HB ))
OR
(( segid " " and resid 97 and name HB1 ))
)
5.000 5.000 0.000 peak 7183 weight 0.10000E+01 volume 0.31700E+00 ppm1 3.216 ppm2 1.745
ASSI (
(( segid " " and resid 147 and name HA2 ))
)(
(( segid " " and resid 99 and name HA ))
)
5.000 5.000 0.000 peak 7351 weight 0.10000E+01 volume 0.33300E+00 ppm1 3.215 ppm2 3.504
ASSI (
(( segid " " and resid 148 and name HB1 ))
)(
(( segid " " and resid 148 and name HE21))
OR
(( segid " " and resid 148 and name HN ))
)
6.000 6.000 0.000 peak 7197 weight 0.10000E+01 volume 0.27200E+00 ppm1 2.013 ppm2 7.519
ASSI (
(( segid " " and resid 148 and name HB2 ))
)(
(( segid " " and resid 148 and name HE21))
OR
(( segid " " and resid 148 and name HN ))
)
5.000 5.000 0.000 peak 7201 weight 0.10000E+01 volume 0.43400E+00 ppm1 1.851 ppm2 7.523
ASSI (
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
OR
(( segid " " and resid 150 and name HA ))
OR
(( segid " " and resid 144 and name HA ))
)
6.000 6.000 0.000 peak 7205 weight 0.10000E+01 volume 0.18700E+00 ppm1 2.261 ppm2 4.276
ASSI (
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)(
(( segid " " and resid 148 and name HE21))
OR
(( segid " " and resid 148 and name HN ))
)
5.000 5.000 0.000 peak 7206 weight 0.10000E+01 volume 0.44200E+00 ppm1 2.265 ppm2 7.530
ASSI (
(( segid " " and resid 149 and name HA ))
)(
(( segid " " and resid 149 and name HN ))
OR
(( segid " " and resid 145 and name HN ))
)
5.000 5.000 0.000 peak 7211 weight 0.10000E+01 volume 0.10210E+01 ppm1 5.132 ppm2 8.392
ASSI (
(( segid " " and resid 149 and name HB1 ))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
OR
(( segid " " and resid 150 and name HA ))
OR
(( segid " " and resid 144 and name HA ))
)
6.000 6.000 0.000 peak 7215 weight 0.10000E+01 volume 0.12900E+00 ppm1 3.411 ppm2 4.272
ASSI (
(( segid " " and resid 149 and name HB1 ))
)(
(( segid " " and resid 145 and name HA ))
OR
(( segid " " and resid 142 and name HA ))
)
6.000 6.000 0.000 peak 7217 weight 0.10000E+01 volume 0.21100E+00 ppm1 3.414 ppm2 4.761
ASSI (
(( segid " " and resid 149 and name HB2 ))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
OR
(( segid " " and resid 150 and name HA ))
OR
(( segid " " and resid 144 and name HA ))
OR
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 101 and name HA ))
)
6.000 6.000 0.000 peak 7229 weight 0.10000E+01 volume 0.99000E-01 ppm1 2.612 ppm2 4.270
ASSI (
(( segid " " and resid 149 and name HH2 ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
OR
(( segid " " and resid 121 and name HD13))
OR
(( segid " " and resid 121 and name HD12))
OR
(( segid " " and resid 121 and name HD11))
OR
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
OR
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
OR
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
OR
(( segid " " and resid 98 and name HG21))
)
5.000 5.000 0.000 peak 4285 weight 0.10000E+01 volume 0.46100E+00 ppm1 6.629 ppm2 0.887
ASSI (
(( segid " " and resid 149 and name HZ3 ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
OR
(( segid " " and resid 121 and name HD13))
OR
(( segid " " and resid 121 and name HD12))
OR
(( segid " " and resid 121 and name HD11))
OR
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
OR
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
OR
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
6.000 6.000 0.000 peak 6302 weight 0.10000E+01 volume 0.21800E+00 ppm1 6.816 ppm2 0.892
ASSI (
(( segid " " and resid 154 and name HD1 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
OR
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
OR
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
6.000 6.000 0.000 peak 6743 weight 0.10000E+01 volume 0.17300E+00 ppm1 2.890 ppm2 0.628
ASSI (
(( segid " " and resid 154 and name HG1 ))
)(
(( segid " " and resid 140 and name HA ))
OR
(( segid " " and resid 139 and name HA ))
)
6.000 6.000 0.000 peak 6726 weight 0.10000E+01 volume 0.15500E+00 ppm1 1.492 ppm2 4.449
ASSI (
(( segid " " and resid 154 and name HG2 ))
)(
(( segid " " and resid 153 and name HG1 ))
OR
(( segid " " and resid 137 and name HB ))
OR
(( segid " " and resid 136 and name HG ))
OR
(( segid " " and resid 106 and name HG ))
)
6.000 6.000 0.000 peak 6730 weight 0.10000E+01 volume 0.19500E+00 ppm1 0.382 ppm2 1.129
ASSI (
(( segid " " and resid 156 and name HB1 ))
)(
(( segid " " and resid 155 and name HB2 ))
OR
(( segid " " and resid 155 and name HB1 ))
OR
(( segid " " and resid 130 and name HB1 ))
)
5.000 5.000 0.000 peak 6770 weight 0.10000E+01 volume 0.36500E+00 ppm1 2.667 ppm2 3.060
ASSI (
(( segid " " and resid 156 and name HB2 ))
)(
(( segid " " and resid 155 and name HB2 ))
OR
(( segid " " and resid 155 and name HB1 ))
OR
(( segid " " and resid 130 and name HB1 ))
)
5.000 5.000 0.000 peak 6780 weight 0.10000E+01 volume 0.41900E+00 ppm1 2.547 ppm2 3.060
ASSI (
(( segid " " and resid 159 and name HA ))
)(
(( segid " " and resid 158 and name HN ))
OR
(( segid " " and resid 133 and name HN ))
)
5.000 5.000 0.000 peak 6845 weight 0.10000E+01 volume 0.11610E+01 ppm1 4.334 ppm2 8.548
ASSI (
(( segid " " and resid 98 and name HA ))
)(
(( segid " " and resid 99 and name HN ))
)
2.700 2.700 0.000 peak 5634 weight 0.10000E+01 volume 0.46100E+01 ppm1 4.357 ppm2 8.281
ASSI (
(( segid " " and resid 98 and name HB ))
)(
(( segid " " and resid 98 and name HA ))
)
3.300 3.300 0.000 peak 7243 weight 0.10000E+01 volume 0.15330E+01 ppm1 1.702 ppm2 4.360
ASSI (
(( segid " " and resid 98 and name HB ))
)(
(( segid " " and resid 98 and name HG12))
)
6.000 6.000 0.000 peak 7242 weight 0.10000E+01 volume 0.27300E+00 ppm1 1.719 ppm2 1.041
ASSI (
(( segid " " and resid 98 and name HB ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 4372 weight 0.10000E+01 volume 0.30300E+00 ppm1 1.706 ppm2 8.280
ASSI (
(( segid " " and resid 98 and name HG23))
OR
(( segid " " and resid 98 and name HG22))
OR
(( segid " " and resid 98 and name HG21))
)(
(( segid " " and resid 98 and name HB ))
)
3.300 3.300 0.000 peak 7256 weight 0.10000E+01 volume 0.21500E+01 ppm1 0.872 ppm2 1.709
ASSI (
(( segid " " and resid 98 and name HG23))
OR
(( segid " " and resid 98 and name HG22))
OR
(( segid " " and resid 98 and name HG21))
)(
(( segid " " and resid 120 and name HN ))
)
5.000 5.000 0.000 peak 7257 weight 0.10000E+01 volume 0.52000E+00 ppm1 0.873 ppm2 8.297
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HB2 ))
)
5.000 5.000 0.000 peak 5554 weight 0.10000E+01 volume 0.63000E+00 ppm1 3.513 ppm2 1.999
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 7262 weight 0.10000E+01 volume 0.79000E+00 ppm1 3.515 ppm2 8.277
ASSI (
(( segid " " and resid 99 and name HB1 ))
)(
(( segid " " and resid 149 and name HE1 ))
)
5.000 5.000 0.000 peak 141 weight 0.10000E+01 volume 0.70000E+00 ppm1 2.453 ppm2 10.091
ASSI (
(( segid " " and resid 99 and name HB2 ))
)(
(( segid " " and resid 149 and name HE1 ))
)
5.000 5.000 0.000 peak 3765 weight 0.10000E+01 volume 0.34500E+00 ppm1 1.998 ppm2 10.091
ASSI (
(( segid " " and resid 99 and name HB2 ))
)(
(( segid " " and resid 99 and name HB1 ))
)
2.700 2.700 0.000 peak 5655 weight 0.10000E+01 volume 0.50400E+01 ppm1 1.992 ppm2 2.459
ASSI (
(( segid " " and resid 99 and name HB1 ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 5647 weight 0.10000E+01 volume 0.87700E+00 ppm1 2.453 ppm2 8.285
ASSI (
(( segid " " and resid 99 and name HB2 ))
)(
(( segid " " and resid 99 and name HN ))
)
3.300 3.300 0.000 peak 5658 weight 0.10000E+01 volume 0.15180E+01 ppm1 1.991 ppm2 8.281
ASSI (
(( segid " " and resid 99 and name HB1 ))
)(
(( segid " " and resid 121 and name HD13))
OR
(( segid " " and resid 121 and name HD12))
OR
(( segid " " and resid 121 and name HD11))
)
5.000 5.000 0.000 peak 5630 weight 0.10000E+01 volume 0.76500E+00 ppm1 2.440 ppm2 0.916
ASSI (
(( segid " " and resid 99 and name HB2 ))
)(
(( segid " " and resid 121 and name HD13))
OR
(( segid " " and resid 121 and name HD12))
OR
(( segid " " and resid 121 and name HD11))
)
5.000 5.000 0.000 peak 7289 weight 0.10000E+01 volume 0.51000E+00 ppm1 1.993 ppm2 0.897
ASSI (
(( segid " " and resid 99 and name HB1 ))
)(
(( segid " " and resid 149 and name HZ2 ))
)
5.000 5.000 0.000 peak 5645 weight 0.10000E+01 volume 0.41700E+00 ppm1 2.455 ppm2 6.972
ASSI (
(( segid " " and resid 100 and name HA ))
)(
(( segid " " and resid 101 and name HN ))
)
2.700 2.700 0.000 peak 5636 weight 0.10000E+01 volume 0.30880E+01 ppm1 4.372 ppm2 9.056
ASSI (
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)(
(( segid " " and resid 149 and name HD1 ))
)
3.300 3.300 0.000 peak 7269 weight 0.10000E+01 volume 0.19500E+01 ppm1 4.021 ppm2 6.433
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 101 and name HG2 ))
)
5.000 5.000 0.000 peak 4255 weight 0.10000E+01 volume 0.81000E+00 ppm1 4.269 ppm2 1.555
ASSI (
(( segid " " and resid 101 and name HB1 ))
)(
(( segid " " and resid 101 and name HG2 ))
)
5.000 5.000 0.000 peak 7283 weight 0.10000E+01 volume 0.75700E+00 ppm1 2.097 ppm2 1.565
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 101 and name HG2 ))
)
5.000 5.000 0.000 peak 4257 weight 0.10000E+01 volume 0.67800E+00 ppm1 1.979 ppm2 1.556
ASSI (
(( segid " " and resid 101 and name HB1 ))
)(
(( segid " " and resid 101 and name HN ))
)
5.000 5.000 0.000 peak 7284 weight 0.10000E+01 volume 0.78000E+00 ppm1 2.098 ppm2 9.057
ASSI (
(( segid " " and resid 101 and name HD1 ))
)(
(( segid " " and resid 101 and name HG2 ))
)
2.700 2.700 0.000 peak 7312 weight 0.10000E+01 volume 0.32550E+01 ppm1 1.762 ppm2 1.562
ASSI (
(( segid " " and resid 101 and name HE2 ))
OR
(( segid " " and resid 101 and name HE1 ))
)(
(( segid " " and resid 101 and name HG2 ))
)
5.000 5.000 0.000 peak 7330 weight 0.10000E+01 volume 0.64700E+00 ppm1 3.015 ppm2 1.572
ASSI (
(( segid " " and resid 101 and name HG1 ))
)(
(( segid " " and resid 101 and name HB1 ))
)
5.000 5.000 0.000 peak 7302 weight 0.10000E+01 volume 0.61300E+00 ppm1 1.663 ppm2 2.104
ASSI (
(( segid " " and resid 101 and name HG1 ))
)(
(( segid " " and resid 101 and name HB2 ))
)
5.000 5.000 0.000 peak 7303 weight 0.10000E+01 volume 0.49800E+00 ppm1 1.663 ppm2 1.986
ASSI (
(( segid " " and resid 101 and name HG1 ))
)(
(( segid " " and resid 101 and name HD1 ))
)
2.700 2.700 0.000 peak 7309 weight 0.10000E+01 volume 0.41220E+01 ppm1 1.657 ppm2 1.765
ASSI (
(( segid " " and resid 101 and name HG1 ))
)(
(( segid " " and resid 101 and name HE2 ))
OR
(( segid " " and resid 101 and name HE1 ))
)
6.000 6.000 0.000 peak 7308 weight 0.10000E+01 volume 0.22800E+00 ppm1 1.666 ppm2 3.039
ASSI (
(( segid " " and resid 101 and name HG1 ))
)(
(( segid " " and resid 101 and name HG2 ))
)
2.700 2.700 0.000 peak 7305 weight 0.10000E+01 volume 0.68630E+01 ppm1 1.663 ppm2 1.566
ASSI (
(( segid " " and resid 101 and name HG2 ))
)(
(( segid " " and resid 101 and name HN ))
)
6.000 6.000 0.000 peak 7296 weight 0.10000E+01 volume 0.20300E+00 ppm1 1.570 ppm2 9.049
ASSI (
(( segid " " and resid 112 and name HB1 ))
)(
(( segid " " and resid 112 and name HN ))
)
5.000 5.000 0.000 peak 6981 weight 0.10000E+01 volume 0.44200E+00 ppm1 3.035 ppm2 8.891
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name HB1 ))
)
5.000 5.000 0.000 peak 6859 weight 0.10000E+01 volume 0.52200E+00 ppm1 5.131 ppm2 1.842
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name HB2 ))
)
3.300 3.300 0.000 peak 6857 weight 0.10000E+01 volume 0.15600E+01 ppm1 5.131 ppm2 1.308
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
OR
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
)
3.300 3.300 0.000 peak 6856 weight 0.10000E+01 volume 0.16950E+01 ppm1 5.131 ppm2 0.888
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 114 and name HN ))
)
2.700 2.700 0.000 peak 6861 weight 0.10000E+01 volume 0.30820E+01 ppm1 5.129 ppm2 9.198
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 126 and name HA ))
)
5.000 5.000 0.000 peak 6860 weight 0.10000E+01 volume 0.12050E+01 ppm1 5.129 ppm2 5.300
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
5.000 5.000 0.000 peak 6858 weight 0.10000E+01 volume 0.56200E+00 ppm1 5.131 ppm2 0.513
ASSI (
(( segid " " and resid 113 and name HB1 ))
)(
(( segid " " and resid 113 and name HG ))
)
3.300 3.300 0.000 peak 6862 weight 0.10000E+01 volume 0.19420E+01 ppm1 1.840 ppm2 1.479
ASSI (
(( segid " " and resid 113 and name HB2 ))
)(
(( segid " " and resid 113 and name HG ))
)
3.300 3.300 0.000 peak 6874 weight 0.10000E+01 volume 0.28100E+01 ppm1 1.302 ppm2 1.477
ASSI (
(( segid " " and resid 113 and name HB1 ))
)(
(( segid " " and resid 113 and name HN ))
)
5.000 5.000 0.000 peak 6864 weight 0.10000E+01 volume 0.14300E+01 ppm1 1.836 ppm2 8.700
ASSI (
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
)(
(( segid " " and resid 113 and name HB1 ))
)
2.700 2.700 0.000 peak 6881 weight 0.10000E+01 volume 0.37050E+01 ppm1 0.893 ppm2 1.833
ASSI (
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
)(
(( segid " " and resid 113 and name HA ))
)
5.000 5.000 0.000 peak 6882 weight 0.10000E+01 volume 0.13850E+01 ppm1 0.890 ppm2 5.131
ASSI (
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
)(
(( segid " " and resid 113 and name HB1 ))
)
5.000 5.000 0.000 peak 6883 weight 0.10000E+01 volume 0.79500E+00 ppm1 0.890 ppm2 1.840
ASSI (
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 6884 weight 0.10000E+01 volume 0.95700E+00 ppm1 0.888 ppm2 9.197
ASSI (
(( segid " " and resid 113 and name HG ))
)(
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
OR
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
)
3.300 3.300 0.000 peak 6875 weight 0.10000E+01 volume 0.20270E+01 ppm1 1.473 ppm2 0.885
ASSI (
(( segid " " and resid 114 and name HB ))
)(
(( segid " " and resid 114 and name HA ))
)
5.000 5.000 0.000 peak 6894 weight 0.10000E+01 volume 0.11970E+01 ppm1 4.089 ppm2 4.647
ASSI (
(( segid " " and resid 114 and name HB ))
)(
(( segid " " and resid 114 and name HG23))
OR
(( segid " " and resid 114 and name HG22))
OR
(( segid " " and resid 114 and name HG21))
)
2.700 2.700 0.000 peak 6895 weight 0.10000E+01 volume 0.30270E+01 ppm1 4.086 ppm2 1.191
ASSI (
(( segid " " and resid 114 and name HB ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 6896 weight 0.10000E+01 volume 0.68000E+00 ppm1 4.086 ppm2 9.196
ASSI (
(( segid " " and resid 114 and name HB ))
)(
(( segid " " and resid 115 and name HN ))
)
5.000 5.000 0.000 peak 6897 weight 0.10000E+01 volume 0.70700E+00 ppm1 4.086 ppm2 8.434
ASSI (
(( segid " " and resid 114 and name HG23))
OR
(( segid " " and resid 114 and name HG22))
OR
(( segid " " and resid 114 and name HG21))
)(
(( segid " " and resid 114 and name HA ))
)
5.000 5.000 0.000 peak 6908 weight 0.10000E+01 volume 0.10530E+01 ppm1 1.188 ppm2 4.649
ASSI (
(( segid " " and resid 114 and name HG23))
OR
(( segid " " and resid 114 and name HG22))
OR
(( segid " " and resid 114 and name HG21))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 6910 weight 0.10000E+01 volume 0.44700E+00 ppm1 1.187 ppm2 9.195
ASSI (
(( segid " " and resid 114 and name HG23))
OR
(( segid " " and resid 114 and name HG22))
OR
(( segid " " and resid 114 and name HG21))
)(
(( segid " " and resid 115 and name HN ))
)
5.000 5.000 0.000 peak 6909 weight 0.10000E+01 volume 0.35000E+00 ppm1 1.189 ppm2 8.436
ASSI (
(( segid " " and resid 115 and name HA1 ))
)(
(( segid " " and resid 115 and name HN ))
)
5.000 5.000 0.000 peak 5900 weight 0.10000E+01 volume 0.95500E+00 ppm1 4.162 ppm2 8.437
ASSI (
(( segid " " and resid 115 and name HA1 ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 5899 weight 0.10000E+01 volume 0.96000E+00 ppm1 4.162 ppm2 7.947
ASSI (
(( segid " " and resid 115 and name HA2 ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 6919 weight 0.10000E+01 volume 0.11020E+01 ppm1 3.894 ppm2 7.945
ASSI (
(( segid " " and resid 116 and name HA1 ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 7267 weight 0.10000E+01 volume 0.11120E+01 ppm1 3.846 ppm2 7.945
ASSI (
(( segid " " and resid 116 and name HA2 ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 6924 weight 0.10000E+01 volume 0.11200E+01 ppm1 3.788 ppm2 7.946
ASSI (
(( segid " " and resid 116 and name HA1 ))
)(
(( segid " " and resid 117 and name HN ))
)
5.000 5.000 0.000 peak 7259 weight 0.10000E+01 volume 0.11900E+01 ppm1 3.845 ppm2 8.204
ASSI (
(( segid " " and resid 116 and name HA2 ))
)(
(( segid " " and resid 117 and name HN ))
)
5.000 5.000 0.000 peak 6923 weight 0.10000E+01 volume 0.11950E+01 ppm1 3.791 ppm2 8.202
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 117 and name HB1 ))
)
3.300 3.300 0.000 peak 5905 weight 0.10000E+01 volume 0.22700E+01 ppm1 4.923 ppm2 2.769
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 117 and name HB2 ))
)
3.300 3.300 0.000 peak 5906 weight 0.10000E+01 volume 0.17530E+01 ppm1 4.924 ppm2 2.545
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 117 and name HN ))
)
5.000 5.000 0.000 peak 5903 weight 0.10000E+01 volume 0.11970E+01 ppm1 4.924 ppm2 8.206
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 118 and name HN ))
)
3.300 3.300 0.000 peak 5904 weight 0.10000E+01 volume 0.27670E+01 ppm1 4.921 ppm2 8.123
ASSI (
(( segid " " and resid 118 and name HA ))
)(
(( segid " " and resid 118 and name HB1 ))
)
5.000 5.000 0.000 peak 5914 weight 0.10000E+01 volume 0.14670E+01 ppm1 4.190 ppm2 1.656
ASSI (
(( segid " " and resid 118 and name HA ))
)(
(( segid " " and resid 118 and name HD13))
OR
(( segid " " and resid 118 and name HD12))
OR
(( segid " " and resid 118 and name HD11))
)
5.000 5.000 0.000 peak 5916 weight 0.10000E+01 volume 0.39500E+00 ppm1 4.191 ppm2 0.932
ASSI (
(( segid " " and resid 118 and name HA ))
)(
(( segid " " and resid 118 and name HD23))
OR
(( segid " " and resid 118 and name HD22))
OR
(( segid " " and resid 118 and name HD21))
)
3.300 3.300 0.000 peak 5915 weight 0.10000E+01 volume 0.18670E+01 ppm1 4.190 ppm2 0.838
ASSI (
(( segid " " and resid 118 and name HA ))
)(
(( segid " " and resid 119 and name HA ))
)
3.300 3.300 0.000 peak 7387 weight 0.10000E+01 volume 0.25900E+01 ppm1 4.191 ppm2 4.344
ASSI (
(( segid " " and resid 118 and name HA ))
)(
(( segid " " and resid 120 and name HN ))
)
5.000 5.000 0.000 peak 5917 weight 0.10000E+01 volume 0.14970E+01 ppm1 4.190 ppm2 8.321
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 118 and name HA ))
)
5.000 5.000 0.000 peak 5931 weight 0.10000E+01 volume 0.12450E+01 ppm1 1.398 ppm2 4.192
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 118 and name HB1 ))
)
2.700 2.700 0.000 peak 5929 weight 0.10000E+01 volume 0.92850E+01 ppm1 1.398 ppm2 1.655
ASSI (
(( segid " " and resid 118 and name HB1 ))
)(
(( segid " " and resid 118 and name HD13))
OR
(( segid " " and resid 118 and name HD12))
OR
(( segid " " and resid 118 and name HD11))
)
3.300 3.300 0.000 peak 5924 weight 0.10000E+01 volume 0.22670E+01 ppm1 1.653 ppm2 0.928
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 118 and name HD13))
OR
(( segid " " and resid 118 and name HD12))
OR
(( segid " " and resid 118 and name HD11))
)
3.300 3.300 0.000 peak 5927 weight 0.10000E+01 volume 0.19030E+01 ppm1 1.397 ppm2 0.926
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 118 and name HD23))
OR
(( segid " " and resid 118 and name HD22))
OR
(( segid " " and resid 118 and name HD21))
)
5.000 5.000 0.000 peak 5928 weight 0.10000E+01 volume 0.13030E+01 ppm1 1.396 ppm2 0.845
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 118 and name HN ))
)
5.000 5.000 0.000 peak 5932 weight 0.10000E+01 volume 0.34700E+00 ppm1 1.404 ppm2 8.133
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 118 and name HB1 ))
)
5.000 5.000 0.000 peak 6001 weight 0.10000E+01 volume 0.11350E+01 ppm1 4.342 ppm2 1.659
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 119 and name HB1 ))
)
3.300 3.300 0.000 peak 5999 weight 0.10000E+01 volume 0.20820E+01 ppm1 4.344 ppm2 2.354
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 119 and name HB2 ))
)
5.000 5.000 0.000 peak 6000 weight 0.10000E+01 volume 0.12420E+01 ppm1 4.341 ppm2 2.163
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 120 and name HN ))
)
5.000 5.000 0.000 peak 6005 weight 0.10000E+01 volume 0.62700E+00 ppm1 4.343 ppm2 8.323
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 119 and name HB2 ))
)
2.700 2.700 0.000 peak 6006 weight 0.10000E+01 volume 0.86500E+01 ppm1 2.351 ppm2 2.157
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 119 and name HG1 ))
)
5.000 5.000 0.000 peak 6007 weight 0.10000E+01 volume 0.13780E+01 ppm1 2.349 ppm2 1.964
ASSI (
(( segid " " and resid 119 and name HB2 ))
)(
(( segid " " and resid 119 and name HG1 ))
)
5.000 5.000 0.000 peak 6010 weight 0.10000E+01 volume 0.12220E+01 ppm1 2.162 ppm2 1.964
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 119 and name HG2 ))
)
5.000 5.000 0.000 peak 6008 weight 0.10000E+01 volume 0.53800E+00 ppm1 2.349 ppm2 1.780
ASSI (
(( segid " " and resid 119 and name HB2 ))
)(
(( segid " " and resid 119 and name HG2 ))
)
5.000 5.000 0.000 peak 6011 weight 0.10000E+01 volume 0.93500E+00 ppm1 2.161 ppm2 1.784
ASSI (
(( segid " " and resid 119 and name HD2 ))
)(
(( segid " " and resid 119 and name HB1 ))
)
5.000 5.000 0.000 peak 6029 weight 0.10000E+01 volume 0.61800E+00 ppm1 3.475 ppm2 2.355
ASSI (
(( segid " " and resid 119 and name HD2 ))
)(
(( segid " " and resid 119 and name HB2 ))
)
5.000 5.000 0.000 peak 6030 weight 0.10000E+01 volume 0.40500E+00 ppm1 3.472 ppm2 2.166
ASSI (
(( segid " " and resid 119 and name HD2 ))
)(
(( segid " " and resid 119 and name HD1 ))
)
2.700 2.700 0.000 peak 6028 weight 0.10000E+01 volume 0.10535E+02 ppm1 3.474 ppm2 3.652
ASSI (
(( segid " " and resid 119 and name HD1 ))
)(
(( segid " " and resid 119 and name HG1 ))
)
3.300 3.300 0.000 peak 6026 weight 0.10000E+01 volume 0.15530E+01 ppm1 3.649 ppm2 1.969
ASSI (
(( segid " " and resid 119 and name HD2 ))
)(
(( segid " " and resid 119 and name HG1 ))
)
3.300 3.300 0.000 peak 6031 weight 0.10000E+01 volume 0.15130E+01 ppm1 3.474 ppm2 1.965
ASSI (
(( segid " " and resid 119 and name HD1 ))
)(
(( segid " " and resid 119 and name HG2 ))
)
5.000 5.000 0.000 peak 6025 weight 0.10000E+01 volume 0.14950E+01 ppm1 3.649 ppm2 1.785
ASSI (
(( segid " " and resid 119 and name HD2 ))
)(
(( segid " " and resid 119 and name HG2 ))
)
5.000 5.000 0.000 peak 6032 weight 0.10000E+01 volume 0.78500E+00 ppm1 3.474 ppm2 1.782
ASSI (
(( segid " " and resid 119 and name HG2 ))
)(
(( segid " " and resid 119 and name HG1 ))
)
2.700 2.700 0.000 peak 6017 weight 0.10000E+01 volume 0.76730E+01 ppm1 1.792 ppm2 1.971
ASSI (
(( segid " " and resid 120 and name HA ))
)(
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)
2.700 2.700 0.000 peak 6045 weight 0.10000E+01 volume 0.35330E+01 ppm1 4.295 ppm2 1.476
ASSI (
(( segid " " and resid 120 and name HA ))
)(
(( segid " " and resid 120 and name HN ))
)
5.000 5.000 0.000 peak 6047 weight 0.10000E+01 volume 0.72300E+00 ppm1 4.295 ppm2 8.319
ASSI (
(( segid " " and resid 120 and name HA ))
)(
(( segid " " and resid 121 and name HN ))
)
3.300 3.300 0.000 peak 6046 weight 0.10000E+01 volume 0.21750E+01 ppm1 4.294 ppm2 8.207
ASSI (
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)(
(( segid " " and resid 120 and name HN ))
)
3.300 3.300 0.000 peak 6051 weight 0.10000E+01 volume 0.22730E+01 ppm1 1.473 ppm2 8.319
ASSI (
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 6052 weight 0.10000E+01 volume 0.91000E+00 ppm1 1.475 ppm2 8.205
ASSI (
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)(
(( segid " " and resid 122 and name HN ))
)
5.000 5.000 0.000 peak 6053 weight 0.10000E+01 volume 0.66500E+00 ppm1 1.476 ppm2 7.529
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HB1 ))
)
5.000 5.000 0.000 peak 6059 weight 0.10000E+01 volume 0.46500E+00 ppm1 3.968 ppm2 1.828
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HB2 ))
)
5.000 5.000 0.000 peak 6062 weight 0.10000E+01 volume 0.83500E+00 ppm1 3.967 ppm2 1.479
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HD23))
OR
(( segid " " and resid 121 and name HD22))
OR
(( segid " " and resid 121 and name HD21))
)
3.300 3.300 0.000 peak 6064 weight 0.10000E+01 volume 0.22930E+01 ppm1 3.967 ppm2 0.765
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HG ))
)
5.000 5.000 0.000 peak 6060 weight 0.10000E+01 volume 0.53000E+00 ppm1 3.970 ppm2 1.562
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HN ))
)
3.300 3.300 0.000 peak 6065 weight 0.10000E+01 volume 0.16550E+01 ppm1 3.966 ppm2 8.206
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 122 and name HN ))
)
5.000 5.000 0.000 peak 6066 weight 0.10000E+01 volume 0.41700E+00 ppm1 3.964 ppm2 7.531
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)
5.000 5.000 0.000 peak 6063 weight 0.10000E+01 volume 0.81000E+00 ppm1 3.969 ppm2 1.341
ASSI (
(( segid " " and resid 121 and name HB2 ))
)(
(( segid " " and resid 121 and name HB1 ))
)
2.700 2.700 0.000 peak 6094 weight 0.10000E+01 volume 0.38030E+01 ppm1 1.480 ppm2 1.830
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 121 and name HD13))
OR
(( segid " " and resid 121 and name HD12))
OR
(( segid " " and resid 121 and name HD11))
)
5.000 5.000 0.000 peak 6090 weight 0.10000E+01 volume 0.13000E+01 ppm1 1.827 ppm2 0.902
ASSI (
(( segid " " and resid 121 and name HB2 ))
)(
(( segid " " and resid 121 and name HD13))
OR
(( segid " " and resid 121 and name HD12))
OR
(( segid " " and resid 121 and name HD11))
)
5.000 5.000 0.000 peak 6095 weight 0.10000E+01 volume 0.12150E+01 ppm1 1.475 ppm2 0.904
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 121 and name HD23))
OR
(( segid " " and resid 121 and name HD22))
OR
(( segid " " and resid 121 and name HD21))
)
5.000 5.000 0.000 peak 6091 weight 0.10000E+01 volume 0.48500E+00 ppm1 1.826 ppm2 0.763
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 121 and name HG ))
)
5.000 5.000 0.000 peak 6088 weight 0.10000E+01 volume 0.11700E+01 ppm1 1.826 ppm2 1.554
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 6093 weight 0.10000E+01 volume 0.54000E+00 ppm1 1.828 ppm2 8.206
ASSI (
(( segid " " and resid 121 and name HB2 ))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 6098 weight 0.10000E+01 volume 0.32000E+00 ppm1 1.486 ppm2 8.212
ASSI (
(( segid " " and resid 121 and name HD23))
OR
(( segid " " and resid 121 and name HD22))
OR
(( segid " " and resid 121 and name HD21))
)(
(( segid " " and resid 121 and name HB2 ))
)
3.300 3.300 0.000 peak 6103 weight 0.10000E+01 volume 0.15530E+01 ppm1 0.762 ppm2 1.486
ASSI (
(( segid " " and resid 121 and name HD23))
OR
(( segid " " and resid 121 and name HD22))
OR
(( segid " " and resid 121 and name HD21))
)(
(( segid " " and resid 121 and name HG ))
)
3.300 3.300 0.000 peak 6102 weight 0.10000E+01 volume 0.16850E+01 ppm1 0.762 ppm2 1.558
ASSI (
(( segid " " and resid 121 and name HD23))
OR
(( segid " " and resid 121 and name HD22))
OR
(( segid " " and resid 121 and name HD21))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 6105 weight 0.10000E+01 volume 0.53500E+00 ppm1 0.764 ppm2 8.208
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 122 and name HN ))
)
5.000 5.000 0.000 peak 6110 weight 0.10000E+01 volume 0.10380E+01 ppm1 4.070 ppm2 7.527
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 123 and name HN ))
)
2.700 2.700 0.000 peak 6111 weight 0.10000E+01 volume 0.44600E+01 ppm1 4.069 ppm2 8.418
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 5993 weight 0.10000E+01 volume 0.45800E+00 ppm1 4.071 ppm2 8.277
ASSI (
(( segid " " and resid 122 and name HB2 ))
OR
(( segid " " and resid 122 and name HB1 ))
)(
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)
5.000 5.000 0.000 peak 6245 weight 0.10000E+01 volume 0.96700E+00 ppm1 2.549 ppm2 1.477
ASSI (
(( segid " " and resid 122 and name HB2 ))
OR
(( segid " " and resid 122 and name HB1 ))
)(
(( segid " " and resid 122 and name HA ))
)
3.300 3.300 0.000 peak 6119 weight 0.10000E+01 volume 0.29500E+01 ppm1 2.551 ppm2 4.074
ASSI (
(( segid " " and resid 122 and name HB2 ))
OR
(( segid " " and resid 122 and name HB1 ))
)(
(( segid " " and resid 122 and name HN ))
)
2.700 2.700 0.000 peak 6120 weight 0.10000E+01 volume 0.31220E+01 ppm1 2.549 ppm2 7.532
ASSI (
(( segid " " and resid 123 and name HA2 ))
)(
(( segid " " and resid 123 and name HA1 ))
)
2.700 2.700 0.000 peak 6132 weight 0.10000E+01 volume 0.75550E+01 ppm1 3.706 ppm2 4.215
ASSI (
(( segid " " and resid 123 and name HA1 ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 6131 weight 0.10000E+01 volume 0.96700E+00 ppm1 4.215 ppm2 8.419
ASSI (
(( segid " " and resid 123 and name HA2 ))
)(
(( segid " " and resid 123 and name HN ))
)
3.300 3.300 0.000 peak 6133 weight 0.10000E+01 volume 0.16950E+01 ppm1 3.707 ppm2 8.415
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)
2.700 2.700 0.000 peak 6138 weight 0.10000E+01 volume 0.35300E+01 ppm1 4.370 ppm2 1.346
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 6140 weight 0.10000E+01 volume 0.10820E+01 ppm1 4.370 ppm2 8.272
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 125 and name HN ))
)
2.700 2.700 0.000 peak 6139 weight 0.10000E+01 volume 0.60050E+01 ppm1 4.373 ppm2 8.720
ASSI (
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)(
(( segid " " and resid 116 and name HA1 ))
)
5.000 5.000 0.000 peak 7396 weight 0.10000E+01 volume 0.30800E+00 ppm1 1.345 ppm2 3.853
ASSI (
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)(
(( segid " " and resid 116 and name HA2 ))
)
5.000 5.000 0.000 peak 6152 weight 0.10000E+01 volume 0.62000E+00 ppm1 1.345 ppm2 3.792
ASSI (
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)(
(( segid " " and resid 144 and name HB1 ))
)
5.000 5.000 0.000 peak 6156 weight 0.10000E+01 volume 0.60800E+00 ppm1 1.345 ppm2 2.541
ASSI (
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)(
(( segid " " and resid 149 and name HH2 ))
)
5.000 5.000 0.000 peak 6153 weight 0.10000E+01 volume 0.49500E+00 ppm1 1.344 ppm2 6.629
ASSI (
(( segid " " and resid 125 and name HA ))
)(
(( segid " " and resid 125 and name HB1 ))
)
5.000 5.000 0.000 peak 6182 weight 0.10000E+01 volume 0.91800E+00 ppm1 5.425 ppm2 1.894
ASSI (
(( segid " " and resid 125 and name HA ))
)(
(( segid " " and resid 125 and name HG2 ))
)
5.000 5.000 0.000 peak 6183 weight 0.10000E+01 volume 0.49300E+00 ppm1 5.425 ppm2 1.636
ASSI (
(( segid " " and resid 125 and name HA ))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 6187 weight 0.10000E+01 volume 0.39000E+00 ppm1 5.425 ppm2 8.723
ASSI (
(( segid " " and resid 125 and name HA ))
)(
(( segid " " and resid 126 and name HN ))
)
2.700 2.700 0.000 peak 6185 weight 0.10000E+01 volume 0.34950E+01 ppm1 5.426 ppm2 8.910
ASSI (
(( segid " " and resid 125 and name HA ))
)(
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)
5.000 5.000 0.000 peak 6184 weight 0.10000E+01 volume 0.34300E+00 ppm1 5.427 ppm2 0.973
ASSI (
(( segid " " and resid 125 and name HA ))
)(
(( segid " " and resid 144 and name HN ))
)
5.000 5.000 0.000 peak 6186 weight 0.10000E+01 volume 0.37500E+00 ppm1 5.426 ppm2 8.810
ASSI (
(( segid " " and resid 125 and name HB2 ))
)(
(( segid " " and resid 125 and name HA ))
)
5.000 5.000 0.000 peak 6193 weight 0.10000E+01 volume 0.76000E+00 ppm1 1.768 ppm2 5.424
ASSI (
(( segid " " and resid 125 and name HB1 ))
)(
(( segid " " and resid 125 and name HD2 ))
OR
(( segid " " and resid 125 and name HD1 ))
)
5.000 5.000 0.000 peak 6189 weight 0.10000E+01 volume 0.57200E+00 ppm1 1.896 ppm2 3.169
ASSI (
(( segid " " and resid 125 and name HB2 ))
)(
(( segid " " and resid 125 and name HD2 ))
OR
(( segid " " and resid 125 and name HD1 ))
)
5.000 5.000 0.000 peak 6192 weight 0.10000E+01 volume 0.58000E+00 ppm1 1.768 ppm2 3.172
ASSI (
(( segid " " and resid 125 and name HB1 ))
)(
(( segid " " and resid 125 and name HG2 ))
)
3.300 3.300 0.000 peak 6188 weight 0.10000E+01 volume 0.22930E+01 ppm1 1.896 ppm2 1.635
ASSI (
(( segid " " and resid 125 and name HB2 ))
)(
(( segid " " and resid 125 and name HG2 ))
)
3.300 3.300 0.000 peak 6191 weight 0.10000E+01 volume 0.28850E+01 ppm1 1.776 ppm2 1.631
ASSI (
(( segid " " and resid 125 and name HB2 ))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 6194 weight 0.10000E+01 volume 0.57000E+00 ppm1 1.768 ppm2 8.723
ASSI (
(( segid " " and resid 125 and name HB2 ))
)(
(( segid " " and resid 126 and name HN ))
)
6.000 6.000 0.000 peak 6195 weight 0.10000E+01 volume 0.27300E+00 ppm1 1.768 ppm2 8.907
ASSI (
(( segid " " and resid 125 and name HG1 ))
)(
(( segid " " and resid 125 and name HA ))
)
5.000 5.000 0.000 peak 6180 weight 0.10000E+01 volume 0.47200E+00 ppm1 1.729 ppm2 5.425
ASSI (
(( segid " " and resid 126 and name HA ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
6.000 6.000 0.000 peak 6210 weight 0.10000E+01 volume 0.27000E+00 ppm1 5.297 ppm2 0.610
ASSI (
(( segid " " and resid 126 and name HA ))
)(
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
)
5.000 5.000 0.000 peak 6207 weight 0.10000E+01 volume 0.41500E+00 ppm1 5.296 ppm2 0.880
ASSI (
(( segid " " and resid 126 and name HA ))
)(
(( segid " " and resid 126 and name HB ))
)
5.000 5.000 0.000 peak 6206 weight 0.10000E+01 volume 0.13830E+01 ppm1 5.300 ppm2 1.265
ASSI (
(( segid " " and resid 126 and name HA ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
3.300 3.300 0.000 peak 6208 weight 0.10000E+01 volume 0.15870E+01 ppm1 5.300 ppm2 0.509
ASSI (
(( segid " " and resid 126 and name HA ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 6209 weight 0.10000E+01 volume 0.39800E+00 ppm1 5.300 ppm2 0.348
ASSI (
(( segid " " and resid 126 and name HA ))
)(
(( segid " " and resid 126 and name HN ))
)
5.000 5.000 0.000 peak 6212 weight 0.10000E+01 volume 0.62700E+00 ppm1 5.300 ppm2 8.906
ASSI (
(( segid " " and resid 126 and name HA ))
)(
(( segid " " and resid 127 and name HN ))
)
2.700 2.700 0.000 peak 6213 weight 0.10000E+01 volume 0.44950E+01 ppm1 5.300 ppm2 8.266
ASSI (
(( segid " " and resid 126 and name HB ))
)(
(( segid " " and resid 126 and name HN ))
)
5.000 5.000 0.000 peak 6219 weight 0.10000E+01 volume 0.43300E+00 ppm1 1.258 ppm2 8.904
ASSI (
(( segid " " and resid 126 and name HB ))
)(
(( segid " " and resid 127 and name HN ))
)
5.000 5.000 0.000 peak 6218 weight 0.10000E+01 volume 0.82500E+00 ppm1 1.270 ppm2 8.269
ASSI (
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)(
(( segid " " and resid 125 and name HA ))
)
5.000 5.000 0.000 peak 7341 weight 0.10000E+01 volume 0.30800E+00 ppm1 0.352 ppm2 5.423
ASSI (
(( segid " " and resid 127 and name HB1 ))
)(
(( segid " " and resid 127 and name HN ))
)
5.000 5.000 0.000 peak 6240 weight 0.10000E+01 volume 0.65200E+00 ppm1 2.061 ppm2 8.262
ASSI (
(( segid " " and resid 127 and name HB2 ))
)(
(( segid " " and resid 127 and name HN ))
)
5.000 5.000 0.000 peak 6247 weight 0.10000E+01 volume 0.66300E+00 ppm1 1.889 ppm2 8.264
ASSI (
(( segid " " and resid 141 and name HA ))
)(
(( segid " " and resid 142 and name HN ))
)
2.700 2.700 0.000 peak 6533 weight 0.10000E+01 volume 0.70250E+01 ppm1 5.602 ppm2 8.592
ASSI (
(( segid " " and resid 141 and name HA ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 6537 weight 0.10000E+01 volume 0.42500E+00 ppm1 5.600 ppm2 0.345
ASSI (
(( segid " " and resid 141 and name HA ))
)(
(( segid " " and resid 127 and name HA ))
)
3.300 3.300 0.000 peak 6536 weight 0.10000E+01 volume 0.24450E+01 ppm1 5.603 ppm2 5.122
ASSI (
(( segid " " and resid 141 and name HA ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 6535 weight 0.10000E+01 volume 0.46800E+00 ppm1 5.607 ppm2 6.978
ASSI (
(( segid " " and resid 141 and name HA ))
)(
(( segid " " and resid 128 and name HN ))
)
5.000 5.000 0.000 peak 6532 weight 0.10000E+01 volume 0.33300E+00 ppm1 5.602 ppm2 8.790
ASSI (
(( segid " " and resid 141 and name HA ))
)(
(( segid " " and resid 141 and name HN ))
)
5.000 5.000 0.000 peak 6534 weight 0.10000E+01 volume 0.91000E+00 ppm1 5.605 ppm2 7.668
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 143 and name HA ))
)
5.000 5.000 0.000 peak 7088 weight 0.10000E+01 volume 0.92800E+00 ppm1 0.965 ppm2 5.387
ASSI (
(( segid " " and resid 143 and name HA ))
)(
(( segid " " and resid 143 and name HB ))
)
5.000 5.000 0.000 peak 7066 weight 0.10000E+01 volume 0.61500E+00 ppm1 5.371 ppm2 2.038
ASSI (
(( segid " " and resid 143 and name HA ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
)
5.000 5.000 0.000 peak 7067 weight 0.10000E+01 volume 0.10820E+01 ppm1 5.370 ppm2 0.897
ASSI (
(( segid " " and resid 143 and name HA ))
)(
(( segid " " and resid 143 and name HN ))
)
5.000 5.000 0.000 peak 7072 weight 0.10000E+01 volume 0.78000E+00 ppm1 5.372 ppm2 8.910
ASSI (
(( segid " " and resid 143 and name HA ))
)(
(( segid " " and resid 144 and name HN ))
)
2.700 2.700 0.000 peak 7071 weight 0.10000E+01 volume 0.30880E+01 ppm1 5.373 ppm2 8.802
ASSI (
(( segid " " and resid 143 and name HA ))
)(
(( segid " " and resid 149 and name HE3 ))
)
6.000 6.000 0.000 peak 7069 weight 0.10000E+01 volume 0.27300E+00 ppm1 5.372 ppm2 7.266
ASSI (
(( segid " " and resid 143 and name HA ))
)(
(( segid " " and resid 149 and name HZ3 ))
)
5.000 5.000 0.000 peak 7070 weight 0.10000E+01 volume 0.36500E+00 ppm1 5.372 ppm2 6.824
ASSI (
(( segid " " and resid 144 and name HA ))
)(
(( segid " " and resid 144 and name HB1 ))
)
5.000 5.000 0.000 peak 7103 weight 0.10000E+01 volume 0.61500E+00 ppm1 4.272 ppm2 2.532
ASSI (
(( segid " " and resid 144 and name HB1 ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 7125 weight 0.10000E+01 volume 0.41500E+00 ppm1 2.543 ppm2 8.423
ASSI (
(( segid " " and resid 144 and name HB1 ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 7124 weight 0.10000E+01 volume 0.81700E+00 ppm1 2.538 ppm2 8.280
ASSI (
(( segid " " and resid 144 and name HB1 ))
)(
(( segid " " and resid 143 and name HA ))
)
6.000 6.000 0.000 peak 7123 weight 0.10000E+01 volume 0.26000E+00 ppm1 2.542 ppm2 5.384
ASSI (
(( segid " " and resid 144 and name HB2 ))
)(
(( segid " " and resid 144 and name HB1 ))
)
2.700 2.700 0.000 peak 7128 weight 0.10000E+01 volume 0.49800E+01 ppm1 0.620 ppm2 2.542
ASSI (
(( segid " " and resid 146 and name HA ))
)(
(( segid " " and resid 147 and name HN ))
)
5.000 5.000 0.000 peak 7155 weight 0.10000E+01 volume 0.93000E+00 ppm1 3.769 ppm2 8.327
ASSI (
(( segid " " and resid 149 and name HD1 ))
)(
(( segid " " and resid 149 and name HB1 ))
)
5.000 5.000 0.000 peak 4307 weight 0.10000E+01 volume 0.39800E+00 ppm1 6.434 ppm2 3.406
ASSI (
(( segid " " and resid 149 and name HD1 ))
)(
(( segid " " and resid 149 and name HB2 ))
)
5.000 5.000 0.000 peak 4308 weight 0.10000E+01 volume 0.78800E+00 ppm1 6.433 ppm2 2.618
ASSI (
(( segid " " and resid 149 and name HD1 ))
)(
(( segid " " and resid 149 and name HN ))
)
5.000 5.000 0.000 peak 4304 weight 0.10000E+01 volume 0.14950E+01 ppm1 6.435 ppm2 8.368
ASSI (
(( segid " " and resid 149 and name HZ2 ))
)(
(( segid " " and resid 149 and name HE1 ))
)
5.000 5.000 0.000 peak 150 weight 0.10000E+01 volume 0.56500E+00 ppm1 6.971 ppm2 10.091
ASSI (
(( segid " " and resid 149 and name HZ2 ))
)(
(( segid " " and resid 149 and name HH2 ))
)
5.000 5.000 0.000 peak 4271 weight 0.10000E+01 volume 0.14800E+01 ppm1 6.968 ppm2 6.634
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 5638 weight 0.10000E+01 volume -0.30300E+00 ppm1 2.082 ppm2 4.038
ASSI (
(( segid " " and resid 92 and name HB1 ))
)(
(( segid " " and resid 92 and name HG2 ))
OR
(( segid " " and resid 92 and name HG1 ))
)
5.000 5.000 0.000 peak 5640 weight 0.10000E+01 volume 0.36500E+00 ppm1 2.126 ppm2 2.433
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 92 and name HG2 ))
OR
(( segid " " and resid 92 and name HG1 ))
)
5.000 5.000 0.000 peak 5639 weight 0.10000E+01 volume 0.64600E+00 ppm1 2.083 ppm2 2.427
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 94 and name HN ))
)
5.000 5.000 0.000 peak 5641 weight 0.10000E+01 volume 0.10320E+01 ppm1 4.311 ppm2 8.361
ASSI (
(( segid " " and resid 93 and name HB3 ))
OR
(( segid " " and resid 93 and name HB2 ))
OR
(( segid " " and resid 93 and name HB1 ))
)(
(( segid " " and resid 93 and name HA ))
)
6.000 6.000 0.000 peak 5544 weight 0.10000E+01 volume -0.19000E-01 ppm1 1.343 ppm2 4.308
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 94 and name HB1 ))
)
5.000 5.000 0.000 peak 5546 weight 0.10000E+01 volume 0.53200E+00 ppm1 4.227 ppm2 1.921
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 94 and name HB2 ))
)
5.000 5.000 0.000 peak 5547 weight 0.10000E+01 volume 0.41200E+00 ppm1 4.226 ppm2 1.861
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 94 and name HN ))
)
6.000 6.000 0.000 peak 5642 weight 0.10000E+01 volume 0.23900E+00 ppm1 4.232 ppm2 8.358
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 95 and name HN ))
)
3.300 3.300 0.000 peak 5545 weight 0.10000E+01 volume 0.15600E+01 ppm1 4.231 ppm2 8.160
ASSI (
(( segid " " and resid 94 and name HB1 ))
)(
(( segid " " and resid 94 and name HN ))
)
6.000 6.000 0.000 peak 5548 weight 0.10000E+01 volume 0.15000E+00 ppm1 1.918 ppm2 8.358
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name HN ))
)
6.000 6.000 0.000 peak 5549 weight 0.10000E+01 volume 0.17400E+00 ppm1 1.868 ppm2 8.358
ASSI (
(( segid " " and resid 94 and name HB1 ))
)(
(( segid " " and resid 95 and name HN ))
)
6.000 6.000 0.000 peak 5551 weight 0.10000E+01 volume 0.10300E+00 ppm1 1.921 ppm2 8.162
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 95 and name HN ))
)
6.000 6.000 0.000 peak 5550 weight 0.10000E+01 volume 0.11300E+00 ppm1 1.868 ppm2 8.161
ASSI (
(( segid " " and resid 94 and name HG1 ))
)(
(( segid " " and resid 94 and name HB1 ))
)
5.000 5.000 0.000 peak 5558 weight 0.10000E+01 volume 0.36300E+00 ppm1 2.259 ppm2 1.921
ASSI (
(( segid " " and resid 94 and name HG1 ))
)(
(( segid " " and resid 94 and name HB2 ))
)
5.000 5.000 0.000 peak 5559 weight 0.10000E+01 volume 0.34400E+00 ppm1 2.259 ppm2 1.847
ASSI (
(( segid " " and resid 95 and name HB1 ))
)(
(( segid " " and resid 95 and name HA ))
)
5.000 5.000 0.000 peak 5567 weight 0.10000E+01 volume 0.51500E+00 ppm1 3.097 ppm2 4.658
ASSI (
(( segid " " and resid 95 and name HB2 ))
)(
(( segid " " and resid 95 and name HA ))
)
5.000 5.000 0.000 peak 5568 weight 0.10000E+01 volume 0.55400E+00 ppm1 3.008 ppm2 4.653
ASSI (
(( segid " " and resid 95 and name HB1 ))
)(
(( segid " " and resid 95 and name HD2 ))
OR
(( segid " " and resid 95 and name HD1 ))
)
6.000 6.000 0.000 peak 5569 weight 0.10000E+01 volume 0.29100E+00 ppm1 3.097 ppm2 7.227
ASSI (
(( segid " " and resid 95 and name HB2 ))
)(
(( segid " " and resid 95 and name HD2 ))
OR
(( segid " " and resid 95 and name HD1 ))
)
5.000 5.000 0.000 peak 5570 weight 0.10000E+01 volume 0.32000E+00 ppm1 3.007 ppm2 7.226
ASSI (
(( segid " " and resid 95 and name HB1 ))
)(
(( segid " " and resid 95 and name HN ))
)
5.000 5.000 0.000 peak 5574 weight 0.10000E+01 volume 0.41100E+00 ppm1 3.099 ppm2 8.161
ASSI (
(( segid " " and resid 95 and name HB2 ))
)(
(( segid " " and resid 95 and name HN ))
)
5.000 5.000 0.000 peak 5573 weight 0.10000E+01 volume 0.45000E+00 ppm1 3.009 ppm2 8.160
ASSI (
(( segid " " and resid 95 and name HB1 ))
)(
(( segid " " and resid 96 and name HN ))
)
6.000 6.000 0.000 peak 5572 weight 0.10000E+01 volume 0.13000E+00 ppm1 3.096 ppm2 7.914
ASSI (
(( segid " " and resid 95 and name HB2 ))
)(
(( segid " " and resid 96 and name HN ))
)
6.000 6.000 0.000 peak 5571 weight 0.10000E+01 volume 0.16400E+00 ppm1 3.011 ppm2 7.914
ASSI (
(( segid " " and resid 95 and name HD2 ))
OR
(( segid " " and resid 95 and name HD1 ))
)(
(( segid " " and resid 95 and name HA ))
)
6.000 6.000 0.000 peak 4369 weight 0.10000E+01 volume 0.10600E+00 ppm1 7.225 ppm2 4.657
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name HB ))
)
5.000 5.000 0.000 peak 5577 weight 0.10000E+01 volume 0.48300E+00 ppm1 4.012 ppm2 1.947
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
OR
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)
3.300 3.300 0.000 peak 5579 weight 0.10000E+01 volume 0.16320E+01 ppm1 4.012 ppm2 0.859
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 5575 weight 0.10000E+01 volume 0.52400E+00 ppm1 4.012 ppm2 7.914
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 97 and name HN ))
)
2.700 2.700 0.000 peak 5576 weight 0.10000E+01 volume 0.40440E+01 ppm1 4.016 ppm2 8.197
ASSI (
(( segid " " and resid 96 and name HB ))
)(
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
OR
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)
3.300 3.300 0.000 peak 5581 weight 0.10000E+01 volume 0.28680E+01 ppm1 1.944 ppm2 0.867
ASSI (
(( segid " " and resid 96 and name HB ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 5583 weight 0.10000E+01 volume 0.95200E+00 ppm1 1.943 ppm2 7.913
ASSI (
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)(
(( segid " " and resid 96 and name HA ))
)
5.000 5.000 0.000 peak 5590 weight 0.10000E+01 volume 0.68700E+00 ppm1 0.875 ppm2 4.013
ASSI (
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
)(
(( segid " " and resid 96 and name HA ))
)
5.000 5.000 0.000 peak 5591 weight 0.10000E+01 volume 0.82000E+00 ppm1 0.841 ppm2 4.014
ASSI (
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)(
(( segid " " and resid 96 and name HB ))
)
5.000 5.000 0.000 peak 5587 weight 0.10000E+01 volume 0.12230E+01 ppm1 0.875 ppm2 1.945
ASSI (
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
)(
(( segid " " and resid 96 and name HB ))
)
5.000 5.000 0.000 peak 5586 weight 0.10000E+01 volume 0.14410E+01 ppm1 0.840 ppm2 1.942
ASSI (
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 5592 weight 0.10000E+01 volume 0.65800E+00 ppm1 0.873 ppm2 7.915
ASSI (
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 5585 weight 0.10000E+01 volume 0.44600E+00 ppm1 0.840 ppm2 7.916
ASSI (
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)(
(( segid " " and resid 97 and name HN ))
)
6.000 6.000 0.000 peak 5594 weight 0.10000E+01 volume 0.21300E+00 ppm1 0.869 ppm2 8.185
ASSI (
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
)(
(( segid " " and resid 97 and name HN ))
)
6.000 6.000 0.000 peak 5593 weight 0.10000E+01 volume 0.27800E+00 ppm1 0.839 ppm2 8.189
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
OR
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)
6.000 6.000 0.000 peak 5598 weight 0.10000E+01 volume 0.20400E+00 ppm1 4.334 ppm2 0.851
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name HB1 ))
)
5.000 5.000 0.000 peak 5595 weight 0.10000E+01 volume 0.13160E+01 ppm1 4.335 ppm2 1.745
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
6.000 6.000 0.000 peak 5599 weight 0.10000E+01 volume 0.25500E+00 ppm1 4.333 ppm2 3.161
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 5601 weight 0.10000E+01 volume 0.81900E+00 ppm1 4.336 ppm2 8.198
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 98 and name HG11))
)
6.000 6.000 0.000 peak 5603 weight 0.10000E+01 volume 0.10700E+00 ppm1 4.329 ppm2 1.375
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 98 and name HG12))
)
6.000 6.000 0.000 peak 5602 weight 0.10000E+01 volume 0.65000E-01 ppm1 4.331 ppm2 1.016
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 98 and name HN ))
)
2.700 2.700 0.000 peak 5600 weight 0.10000E+01 volume 0.60430E+01 ppm1 4.333 ppm2 7.926
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HA ))
)
5.000 5.000 0.000 peak 5611 weight 0.10000E+01 volume 0.71000E+00 ppm1 1.641 ppm2 4.341
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HB1 ))
)
2.700 2.700 0.000 peak 5604 weight 0.10000E+01 volume 0.12454E+02 ppm1 1.638 ppm2 1.745
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
5.000 5.000 0.000 peak 5606 weight 0.10000E+01 volume 0.40700E+00 ppm1 1.742 ppm2 3.159
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
5.000 5.000 0.000 peak 5607 weight 0.10000E+01 volume 0.44800E+00 ppm1 1.637 ppm2 3.161
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 5614 weight 0.10000E+01 volume 0.46000E+00 ppm1 1.743 ppm2 8.198
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 5615 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.640 ppm2 8.196
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 98 and name HN ))
)
6.000 6.000 0.000 peak 5613 weight 0.10000E+01 volume 0.27800E+00 ppm1 1.742 ppm2 7.928
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 98 and name HN ))
)
6.000 6.000 0.000 peak 5612 weight 0.10000E+01 volume 0.22600E+00 ppm1 1.637 ppm2 7.927
ASSI (
(( segid " " and resid 97 and name HG1 ))
)(
(( segid " " and resid 97 and name HA ))
)
5.000 5.000 0.000 peak 5618 weight 0.10000E+01 volume 0.58800E+00 ppm1 1.631 ppm2 4.340
ASSI (
(( segid " " and resid 97 and name HG2 ))
)(
(( segid " " and resid 97 and name HA ))
)
5.000 5.000 0.000 peak 5619 weight 0.10000E+01 volume 0.66800E+00 ppm1 1.578 ppm2 4.340
ASSI (
(( segid " " and resid 97 and name HG1 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 5624 weight 0.10000E+01 volume 0.45300E+00 ppm1 1.626 ppm2 8.198
ASSI (
(( segid " " and resid 97 and name HG2 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 6079 weight 0.10000E+01 volume 0.74000E+00 ppm1 1.564 ppm2 8.194
ASSI (
(( segid " " and resid 98 and name HA ))
)(
(( segid " " and resid 98 and name HG11))
)
5.000 5.000 0.000 peak 7237 weight 0.10000E+01 volume 0.12600E+01 ppm1 4.364 ppm2 1.385
ASSI (
(( segid " " and resid 98 and name HA ))
)(
(( segid " " and resid 98 and name HG12))
)
5.000 5.000 0.000 peak 7236 weight 0.10000E+01 volume 0.69500E+00 ppm1 4.362 ppm2 1.026
ASSI (
(( segid " " and resid 98 and name HG12))
)(
(( segid " " and resid 98 and name HG11))
)
2.700 2.700 0.000 peak 7254 weight 0.10000E+01 volume 0.67480E+01 ppm1 1.024 ppm2 1.380
ASSI (
(( segid " " and resid 98 and name HG11))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7250 weight 0.10000E+01 volume 0.51100E+00 ppm1 1.378 ppm2 7.930
ASSI (
(( segid " " and resid 98 and name HG12))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7251 weight 0.10000E+01 volume 0.42200E+00 ppm1 1.027 ppm2 7.929
ASSI (
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)(
(( segid " " and resid 100 and name HA ))
)
2.700 2.700 0.000 peak 7265 weight 0.10000E+01 volume 0.82660E+01 ppm1 4.018 ppm2 4.381
ASSI (
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)(
(( segid " " and resid 100 and name HN ))
)
3.300 3.300 0.000 peak 7272 weight 0.10000E+01 volume 0.16950E+01 ppm1 4.020 ppm2 8.358
ASSI (
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)(
(( segid " " and resid 102 and name HN ))
)
6.000 6.000 0.000 peak 7291 weight 0.10000E+01 volume 0.12100E+00 ppm1 4.016 ppm2 8.758
ASSI (
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
6.000 6.000 0.000 peak 7270 weight 0.10000E+01 volume 0.27900E+00 ppm1 4.020 ppm2 6.730
ASSI (
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)(
(( segid " " and resid 103 and name HN ))
)
6.000 6.000 0.000 peak 7271 weight 0.10000E+01 volume 0.16000E+00 ppm1 4.018 ppm2 7.150
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 101 and name HB1 ))
)
3.300 3.300 0.000 peak 7274 weight 0.10000E+01 volume 0.17270E+01 ppm1 4.274 ppm2 2.122
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7278 weight 0.10000E+01 volume 0.35700E+00 ppm1 4.274 ppm2 7.147
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 7279 weight 0.10000E+01 volume 0.37900E+00 ppm1 4.273 ppm2 7.340
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 98 and name HG11))
)
6.000 6.000 0.000 peak 4258 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.934 ppm2 1.394
ASSI (
(( segid " " and resid 101 and name HD1 ))
)(
(( segid " " and resid 101 and name HB1 ))
)
5.000 5.000 0.000 peak 7310 weight 0.10000E+01 volume 0.10180E+01 ppm1 1.756 ppm2 2.125
ASSI (
(( segid " " and resid 101 and name HD1 ))
)(
(( segid " " and resid 101 and name HE2 ))
OR
(( segid " " and resid 101 and name HE1 ))
)
3.300 3.300 0.000 peak 7317 weight 0.10000E+01 volume 0.18160E+01 ppm1 1.758 ppm2 3.020
ASSI (
(( segid " " and resid 101 and name HD2 ))
)(
(( segid " " and resid 101 and name HE2 ))
OR
(( segid " " and resid 101 and name HE1 ))
)
5.000 5.000 0.000 peak 5882 weight 0.10000E+01 volume 0.52100E+00 ppm1 1.676 ppm2 3.003
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7041 weight 0.10000E+01 volume 0.33500E+00 ppm1 4.291 ppm2 7.149
ASSI (
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 102 and name HB1 ))
)(
(( segid " " and resid 102 and name HA ))
)
2.700 2.700 0.000 peak 7050 weight 0.10000E+01 volume 0.44950E+01 ppm1 4.052 ppm2 4.293
ASSI (
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 102 and name HB1 ))
)(
(( segid " " and resid 103 and name HN ))
)
6.000 6.000 0.000 peak 7051 weight 0.10000E+01 volume 0.26700E+00 ppm1 4.052 ppm2 7.147
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HB1 ))
)
5.000 5.000 0.000 peak 5660 weight 0.10000E+01 volume 0.97200E+00 ppm1 3.970 ppm2 2.436
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HB2 ))
)
5.000 5.000 0.000 peak 5659 weight 0.10000E+01 volume 0.12290E+01 ppm1 3.970 ppm2 2.221
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
5.000 5.000 0.000 peak 5668 weight 0.10000E+01 volume 0.66600E+00 ppm1 3.973 ppm2 6.457
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
6.000 6.000 0.000 peak 5672 weight 0.10000E+01 volume 0.16400E+00 ppm1 3.973 ppm2 6.725
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 5670 weight 0.10000E+01 volume 0.46300E+00 ppm1 3.973 ppm2 7.332
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 128 and name HZ ))
)
5.000 5.000 0.000 peak 5671 weight 0.10000E+01 volume 0.33600E+00 ppm1 3.973 ppm2 6.842
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 153 and name HB2 ))
)
6.000 6.000 0.000 peak 5667 weight 0.10000E+01 volume 0.23300E+00 ppm1 3.973 ppm2 0.515
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 153 and name HD1 ))
)
5.000 5.000 0.000 peak 5663 weight 0.10000E+01 volume 0.62800E+00 ppm1 3.973 ppm2 1.203
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 153 and name HD2 ))
)
5.000 5.000 0.000 peak 5665 weight 0.10000E+01 volume 0.11860E+01 ppm1 3.973 ppm2 0.986
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 153 and name HE1 ))
)
5.000 5.000 0.000 peak 5661 weight 0.10000E+01 volume 0.10950E+01 ppm1 3.970 ppm2 2.860
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 153 and name HE2 ))
)
5.000 5.000 0.000 peak 5662 weight 0.10000E+01 volume 0.33800E+00 ppm1 3.970 ppm2 2.750
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 153 and name HG1 ))
)
6.000 6.000 0.000 peak 5664 weight 0.10000E+01 volume 0.29900E+00 ppm1 3.973 ppm2 1.111
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 5666 weight 0.10000E+01 volume 0.51700E+00 ppm1 3.969 ppm2 0.348
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 103 and name HB1 ))
)
2.700 2.700 0.000 peak 5681 weight 0.10000E+01 volume 0.53730E+01 ppm1 2.226 ppm2 2.441
ASSI (
(( segid " " and resid 103 and name HB1 ))
)(
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
5.000 5.000 0.000 peak 5675 weight 0.10000E+01 volume 0.80100E+00 ppm1 2.435 ppm2 6.453
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
5.000 5.000 0.000 peak 5683 weight 0.10000E+01 volume 0.10630E+01 ppm1 2.224 ppm2 6.453
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
6.000 6.000 0.000 peak 5686 weight 0.10000E+01 volume 0.22500E+00 ppm1 2.222 ppm2 6.730
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 5684 weight 0.10000E+01 volume 0.10540E+01 ppm1 2.226 ppm2 7.148
ASSI (
(( segid " " and resid 103 and name HB1 ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
6.000 6.000 0.000 peak 5680 weight 0.10000E+01 volume 0.20900E+00 ppm1 2.435 ppm2 0.856
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
5.000 5.000 0.000 peak 5687 weight 0.10000E+01 volume 0.30600E+00 ppm1 2.226 ppm2 0.859
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 104 and name HN ))
)
6.000 6.000 0.000 peak 5676 weight 0.10000E+01 volume 0.15800E+00 ppm1 2.223 ppm2 7.338
ASSI (
(( segid " " and resid 103 and name HB1 ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
6.000 6.000 0.000 peak 5679 weight 0.10000E+01 volume 0.19500E+00 ppm1 2.436 ppm2 0.504
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
5.000 5.000 0.000 peak 5688 weight 0.10000E+01 volume 0.30800E+00 ppm1 2.215 ppm2 0.508
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 128 and name HZ ))
)
5.000 5.000 0.000 peak 5685 weight 0.10000E+01 volume 0.44600E+00 ppm1 2.224 ppm2 6.842
ASSI (
(( segid " " and resid 103 and name HB1 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
6.000 6.000 0.000 peak 5677 weight 0.10000E+01 volume 0.29400E+00 ppm1 2.438 ppm2 0.343
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 5689 weight 0.10000E+01 volume 0.49600E+00 ppm1 2.226 ppm2 0.340
ASSI (
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)(
(( segid " " and resid 128 and name HZ ))
)
5.000 5.000 0.000 peak 6293 weight 0.10000E+01 volume 0.45000E+00 ppm1 6.457 ppm2 6.839
ASSI (
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
6.000 6.000 0.000 peak 6298 weight 0.10000E+01 volume 0.27000E+00 ppm1 6.457 ppm2 0.342
ASSI (
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)(
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
3.300 3.300 0.000 peak 6290 weight 0.10000E+01 volume 0.23590E+01 ppm1 6.727 ppm2 6.455
ASSI (
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)(
(( segid " " and resid 142 and name HA ))
)
6.000 6.000 0.000 peak 4312 weight 0.10000E+01 volume 0.26700E+00 ppm1 6.730 ppm2 4.756
ASSI (
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)(
(( segid " " and resid 149 and name HB1 ))
)
5.000 5.000 0.000 peak 6286 weight 0.10000E+01 volume 0.95900E+00 ppm1 6.727 ppm2 3.426
ASSI (
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)(
(( segid " " and resid 149 and name HB2 ))
)
5.000 5.000 0.000 peak 6287 weight 0.10000E+01 volume 0.38900E+00 ppm1 6.727 ppm2 2.618
ASSI (
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)(
(( segid " " and resid 153 and name HB2 ))
)
5.000 5.000 0.000 peak 6288 weight 0.10000E+01 volume 0.42600E+00 ppm1 6.727 ppm2 0.524
ASSI (
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
6.000 6.000 0.000 peak 6289 weight 0.10000E+01 volume 0.18700E+00 ppm1 6.727 ppm2 0.345
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)
5.000 5.000 0.000 peak 5693 weight 0.10000E+01 volume 0.41400E+00 ppm1 4.179 ppm2 1.043
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
3.300 3.300 0.000 peak 5694 weight 0.10000E+01 volume 0.27870E+01 ppm1 4.179 ppm2 0.852
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 104 and name HG ))
)
5.000 5.000 0.000 peak 5692 weight 0.10000E+01 volume 0.83000E+00 ppm1 4.179 ppm2 1.724
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 5698 weight 0.10000E+01 volume 0.80500E+00 ppm1 4.179 ppm2 7.336
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 111 and name HB ))
)
5.000 5.000 0.000 peak 5691 weight 0.10000E+01 volume 0.31500E+00 ppm1 4.179 ppm2 1.623
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)
5.000 5.000 0.000 peak 5695 weight 0.10000E+01 volume 0.81600E+00 ppm1 4.179 ppm2 0.741
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
3.300 3.300 0.000 peak 5696 weight 0.10000E+01 volume 0.17460E+01 ppm1 4.179 ppm2 0.612
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
6.000 6.000 0.000 peak 5697 weight 0.10000E+01 volume 0.29900E+00 ppm1 4.179 ppm2 0.509
ASSI (
(( segid " " and resid 104 and name HB1 ))
)(
(( segid " " and resid 101 and name HA ))
)
6.000 6.000 0.000 peak 5704 weight 0.10000E+01 volume 0.23800E+00 ppm1 1.877 ppm2 4.272
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 101 and name HA ))
)
6.000 6.000 0.000 peak 5709 weight 0.10000E+01 volume 0.26200E+00 ppm1 1.830 ppm2 4.273
ASSI (
(( segid " " and resid 104 and name HB1 ))
)(
(( segid " " and resid 104 and name HA ))
)
5.000 5.000 0.000 peak 5703 weight 0.10000E+01 volume 0.12800E+01 ppm1 1.877 ppm2 4.181
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 104 and name HA ))
)
5.000 5.000 0.000 peak 5708 weight 0.10000E+01 volume 0.14870E+01 ppm1 1.830 ppm2 4.179
ASSI (
(( segid " " and resid 104 and name HB1 ))
)(
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)
3.300 3.300 0.000 peak 5701 weight 0.10000E+01 volume 0.18050E+01 ppm1 1.877 ppm2 1.043
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)
3.300 3.300 0.000 peak 5707 weight 0.10000E+01 volume 0.21120E+01 ppm1 1.823 ppm2 1.043
ASSI (
(( segid " " and resid 104 and name HB1 ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
5.000 5.000 0.000 peak 5702 weight 0.10000E+01 volume 0.99400E+00 ppm1 1.877 ppm2 0.851
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
5.000 5.000 0.000 peak 5706 weight 0.10000E+01 volume 0.11330E+01 ppm1 1.826 ppm2 0.855
ASSI (
(( segid " " and resid 104 and name HB1 ))
)(
(( segid " " and resid 104 and name HG ))
)
3.300 3.300 0.000 peak 5699 weight 0.10000E+01 volume 0.29070E+01 ppm1 1.877 ppm2 1.724
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 104 and name HG ))
)
2.700 2.700 0.000 peak 5700 weight 0.10000E+01 volume 0.35030E+01 ppm1 1.823 ppm2 1.722
ASSI (
(( segid " " and resid 104 and name HB1 ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 5705 weight 0.10000E+01 volume 0.12010E+01 ppm1 1.877 ppm2 7.344
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 5710 weight 0.10000E+01 volume 0.12130E+01 ppm1 1.830 ppm2 7.345
ASSI (
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)(
(( segid " " and resid 101 and name HA ))
)
5.000 5.000 0.000 peak 5720 weight 0.10000E+01 volume 0.66700E+00 ppm1 1.043 ppm2 4.273
ASSI (
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)(
(( segid " " and resid 101 and name HB1 ))
)
5.000 5.000 0.000 peak 5718 weight 0.10000E+01 volume 0.42100E+00 ppm1 1.043 ppm2 2.120
ASSI (
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)(
(( segid " " and resid 101 and name HE2 ))
OR
(( segid " " and resid 101 and name HE1 ))
)
6.000 6.000 0.000 peak 5719 weight 0.10000E+01 volume 0.17300E+00 ppm1 1.043 ppm2 3.018
ASSI (
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)(
(( segid " " and resid 104 and name HG ))
)
3.300 3.300 0.000 peak 5717 weight 0.10000E+01 volume 0.18950E+01 ppm1 1.043 ppm2 1.722
ASSI (
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)(
(( segid " " and resid 101 and name HA ))
)
5.000 5.000 0.000 peak 7400 weight 0.10000E+01 volume 0.34100E+00 ppm1 0.848 ppm2 4.270
ASSI (
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 5723 weight 0.10000E+01 volume 0.38900E+00 ppm1 0.852 ppm2 7.344
ASSI (
(( segid " " and resid 104 and name HG ))
)(
(( segid " " and resid 101 and name HA ))
)
5.000 5.000 0.000 peak 5715 weight 0.10000E+01 volume 0.95000E+00 ppm1 1.724 ppm2 4.274
ASSI (
(( segid " " and resid 104 and name HG ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
3.300 3.300 0.000 peak 5711 weight 0.10000E+01 volume 0.16550E+01 ppm1 1.724 ppm2 0.855
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 105 and name HB ))
)
3.300 3.300 0.000 peak 5727 weight 0.10000E+01 volume 0.17380E+01 ppm1 4.243 ppm2 3.932
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 105 and name HG23))
OR
(( segid " " and resid 105 and name HG22))
OR
(( segid " " and resid 105 and name HG21))
)
3.300 3.300 0.000 peak 5725 weight 0.10000E+01 volume 0.15740E+01 ppm1 4.243 ppm2 1.084
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 105 and name HN ))
)
5.000 5.000 0.000 peak 5729 weight 0.10000E+01 volume 0.89100E+00 ppm1 4.244 ppm2 7.296
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 106 and name HB1 ))
)
6.000 6.000 0.000 peak 5728 weight 0.10000E+01 volume 0.22500E+00 ppm1 4.243 ppm2 1.342
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 106 and name HN ))
)
2.700 2.700 0.000 peak 5730 weight 0.10000E+01 volume 0.47410E+01 ppm1 4.243 ppm2 8.467
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)
5.000 5.000 0.000 peak 5724 weight 0.10000E+01 volume 0.12280E+01 ppm1 4.243 ppm2 0.742
ASSI (
(( segid " " and resid 105 and name HB ))
)(
(( segid " " and resid 105 and name HG23))
OR
(( segid " " and resid 105 and name HG22))
OR
(( segid " " and resid 105 and name HG21))
)
3.300 3.300 0.000 peak 5731 weight 0.10000E+01 volume 0.29440E+01 ppm1 3.931 ppm2 1.083
ASSI (
(( segid " " and resid 105 and name HB ))
)(
(( segid " " and resid 105 and name HN ))
)
5.000 5.000 0.000 peak 5733 weight 0.10000E+01 volume 0.48400E+00 ppm1 3.931 ppm2 7.296
ASSI (
(( segid " " and resid 105 and name HB ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 5734 weight 0.10000E+01 volume 0.99300E+00 ppm1 3.931 ppm2 8.467
ASSI (
(( segid " " and resid 105 and name HG23))
OR
(( segid " " and resid 105 and name HG22))
OR
(( segid " " and resid 105 and name HG21))
)(
(( segid " " and resid 104 and name HB1 ))
)
6.000 6.000 0.000 peak 5737 weight 0.10000E+01 volume 0.16400E+00 ppm1 1.084 ppm2 1.882
ASSI (
(( segid " " and resid 105 and name HG23))
OR
(( segid " " and resid 105 and name HG22))
OR
(( segid " " and resid 105 and name HG21))
)(
(( segid " " and resid 104 and name HB2 ))
)
6.000 6.000 0.000 peak 5738 weight 0.10000E+01 volume 0.18600E+00 ppm1 1.084 ppm2 1.823
ASSI (
(( segid " " and resid 105 and name HG23))
OR
(( segid " " and resid 105 and name HG22))
OR
(( segid " " and resid 105 and name HG21))
)(
(( segid " " and resid 105 and name HN ))
)
5.000 5.000 0.000 peak 5739 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.084 ppm2 7.297
ASSI (
(( segid " " and resid 105 and name HG23))
OR
(( segid " " and resid 105 and name HG22))
OR
(( segid " " and resid 105 and name HG21))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 5740 weight 0.10000E+01 volume 0.37300E+00 ppm1 1.084 ppm2 8.466
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HB1 ))
)
5.000 5.000 0.000 peak 5741 weight 0.10000E+01 volume 0.71100E+00 ppm1 4.389 ppm2 1.347
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HB2 ))
)
5.000 5.000 0.000 peak 5743 weight 0.10000E+01 volume 0.11440E+01 ppm1 4.389 ppm2 0.948
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
5.000 5.000 0.000 peak 5745 weight 0.10000E+01 volume 0.37500E+00 ppm1 4.389 ppm2 0.641
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)
3.300 3.300 0.000 peak 5744 weight 0.10000E+01 volume 0.27330E+01 ppm1 4.389 ppm2 0.478
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HG ))
)
5.000 5.000 0.000 peak 5742 weight 0.10000E+01 volume 0.89500E+00 ppm1 4.389 ppm2 1.093
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 5750 weight 0.10000E+01 volume 0.99700E+00 ppm1 4.391 ppm2 8.469
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 107 and name HB1 ))
)
5.000 5.000 0.000 peak 5746 weight 0.10000E+01 volume 0.35600E+00 ppm1 4.388 ppm2 1.844
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 107 and name HN ))
)
2.700 2.700 0.000 peak 5749 weight 0.10000E+01 volume 0.44460E+01 ppm1 4.390 ppm2 8.714
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 153 and name HE1 ))
)
5.000 5.000 0.000 peak 5748 weight 0.10000E+01 volume 0.40400E+00 ppm1 4.389 ppm2 2.856
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HB1 ))
)
2.700 2.700 0.000 peak 5762 weight 0.10000E+01 volume 0.47140E+01 ppm1 0.947 ppm2 1.345
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
3.300 3.300 0.000 peak 5752 weight 0.10000E+01 volume 0.18600E+01 ppm1 1.339 ppm2 0.639
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
3.300 3.300 0.000 peak 5760 weight 0.10000E+01 volume 0.16900E+01 ppm1 0.939 ppm2 0.641
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)
5.000 5.000 0.000 peak 5751 weight 0.10000E+01 volume 0.81100E+00 ppm1 1.345 ppm2 0.475
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)
5.000 5.000 0.000 peak 5759 weight 0.10000E+01 volume 0.10800E+01 ppm1 0.947 ppm2 0.474
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 106 and name HG ))
)
3.300 3.300 0.000 peak 5756 weight 0.10000E+01 volume 0.19730E+01 ppm1 1.345 ppm2 1.094
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HG ))
)
3.300 3.300 0.000 peak 5763 weight 0.10000E+01 volume 0.22290E+01 ppm1 0.947 ppm2 1.095
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 5767 weight 0.10000E+01 volume 0.45200E+00 ppm1 0.947 ppm2 8.468
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 107 and name HN ))
)
6.000 6.000 0.000 peak 7402 weight 0.10000E+01 volume 0.11300E+00 ppm1 1.344 ppm2 8.713
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 107 and name HN ))
)
6.000 6.000 0.000 peak 5768 weight 0.10000E+01 volume 0.19100E+00 ppm1 0.947 ppm2 8.712
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 110 and name HN ))
)
6.000 6.000 0.000 peak 7401 weight 0.10000E+01 volume 0.16900E+00 ppm1 1.334 ppm2 9.005
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)
5.000 5.000 0.000 peak 5753 weight 0.10000E+01 volume 0.13390E+01 ppm1 1.335 ppm2 0.745
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 5757 weight 0.10000E+01 volume 0.30200E+00 ppm1 1.344 ppm2 6.973
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 5765 weight 0.10000E+01 volume 0.44400E+00 ppm1 0.947 ppm2 6.978
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
6.000 6.000 0.000 peak 5766 weight 0.10000E+01 volume 0.21700E+00 ppm1 0.942 ppm2 7.097
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)
3.300 3.300 0.000 peak 5774 weight 0.10000E+01 volume 0.29100E+01 ppm1 0.643 ppm2 0.475
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 106 and name HG ))
)
5.000 5.000 0.000 peak 5776 weight 0.10000E+01 volume 0.10020E+01 ppm1 0.643 ppm2 1.094
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 109 and name HA2 ))
)
5.000 5.000 0.000 peak 5780 weight 0.10000E+01 volume 0.94200E+00 ppm1 0.643 ppm2 3.872
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 109 and name HN ))
)
6.000 6.000 0.000 peak 7406 weight 0.10000E+01 volume 0.13200E+00 ppm1 0.639 ppm2 7.581
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 110 and name HN ))
)
5.000 5.000 0.000 peak 5785 weight 0.10000E+01 volume 0.90100E+00 ppm1 0.644 ppm2 9.015
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 128 and name HB1 ))
)
5.000 5.000 0.000 peak 5779 weight 0.10000E+01 volume 0.13870E+01 ppm1 0.643 ppm2 2.747
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 128 and name HB2 ))
)
5.000 5.000 0.000 peak 5778 weight 0.10000E+01 volume 0.55800E+00 ppm1 0.643 ppm2 2.591
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
3.300 3.300 0.000 peak 5783 weight 0.10000E+01 volume 0.19290E+01 ppm1 0.643 ppm2 6.972
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
5.000 5.000 0.000 peak 5784 weight 0.10000E+01 volume 0.31500E+00 ppm1 0.643 ppm2 7.086
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 129 and name HN ))
)
5.000 5.000 0.000 peak 5786 weight 0.10000E+01 volume 0.54700E+00 ppm1 0.643 ppm2 8.613
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 130 and name HA ))
)
5.000 5.000 0.000 peak 5782 weight 0.10000E+01 volume 0.75200E+00 ppm1 0.636 ppm2 5.036
ASSI (
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)(
(( segid " " and resid 154 and name HG2 ))
)
5.000 5.000 0.000 peak 5773 weight 0.10000E+01 volume 0.41800E+00 ppm1 0.643 ppm2 0.383
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 106 and name HN ))
)
6.000 6.000 0.000 peak 7407 weight 0.10000E+01 volume 0.98000E-01 ppm1 0.477 ppm2 8.470
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 107 and name HN ))
)
5.000 5.000 0.000 peak 5797 weight 0.10000E+01 volume 0.84100E+00 ppm1 0.479 ppm2 8.713
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 5796 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.479 ppm2 6.975
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
6.000 6.000 0.000 peak 5795 weight 0.10000E+01 volume 0.22100E+00 ppm1 0.479 ppm2 7.086
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 153 and name HE1 ))
)
5.000 5.000 0.000 peak 5792 weight 0.10000E+01 volume 0.60900E+00 ppm1 0.479 ppm2 2.860
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 153 and name HE2 ))
)
5.000 5.000 0.000 peak 5791 weight 0.10000E+01 volume 0.10610E+01 ppm1 0.479 ppm2 2.749
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 155 and name HA ))
)
5.000 5.000 0.000 peak 5794 weight 0.10000E+01 volume 0.10810E+01 ppm1 0.479 ppm2 4.715
ASSI (
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)(
(( segid " " and resid 156 and name HN ))
)
5.000 5.000 0.000 peak 5798 weight 0.10000E+01 volume 0.31200E+00 ppm1 0.479 ppm2 9.332
ASSI (
(( segid " " and resid 106 and name HG ))
)(
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)
5.000 5.000 0.000 peak 5769 weight 0.10000E+01 volume 0.13880E+01 ppm1 1.089 ppm2 0.476
ASSI (
(( segid " " and resid 106 and name HG ))
)(
(( segid " " and resid 109 and name HN ))
)
6.000 6.000 0.000 peak 7404 weight 0.10000E+01 volume 0.16600E+00 ppm1 1.086 ppm2 7.580
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 106 and name HA ))
)
6.000 6.000 0.000 peak 5804 weight 0.10000E+01 volume 0.16000E+00 ppm1 3.896 ppm2 4.390
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 107 and name HB1 ))
)
3.300 3.300 0.000 peak 5800 weight 0.10000E+01 volume 0.15390E+01 ppm1 3.896 ppm2 1.845
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 107 and name HB2 ))
)
5.000 5.000 0.000 peak 5799 weight 0.10000E+01 volume 0.13150E+01 ppm1 3.896 ppm2 1.783
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)
5.000 5.000 0.000 peak 5801 weight 0.10000E+01 volume 0.12250E+01 ppm1 3.896 ppm2 2.215
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 108 and name HA ))
)
5.000 5.000 0.000 peak 5803 weight 0.10000E+01 volume 0.66800E+00 ppm1 3.896 ppm2 3.760
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 108 and name HN ))
)
2.700 2.700 0.000 peak 5806 weight 0.10000E+01 volume 0.61720E+01 ppm1 3.896 ppm2 8.963
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 5805 weight 0.10000E+01 volume 0.44600E+00 ppm1 3.896 ppm2 7.577
ASSI (
(( segid " " and resid 107 and name HB2 ))
)(
(( segid " " and resid 106 and name HA ))
)
6.000 6.000 0.000 peak 5815 weight 0.10000E+01 volume 0.13200E+00 ppm1 1.779 ppm2 4.394
ASSI (
(( segid " " and resid 107 and name HB1 ))
)(
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)
5.000 5.000 0.000 peak 5808 weight 0.10000E+01 volume 0.13890E+01 ppm1 1.842 ppm2 2.225
ASSI (
(( segid " " and resid 107 and name HB2 ))
)(
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)
3.300 3.300 0.000 peak 5817 weight 0.10000E+01 volume 0.15370E+01 ppm1 1.777 ppm2 2.223
ASSI (
(( segid " " and resid 107 and name HB1 ))
)(
(( segid " " and resid 107 and name HN ))
)
5.000 5.000 0.000 peak 5811 weight 0.10000E+01 volume 0.13450E+01 ppm1 1.842 ppm2 8.711
ASSI (
(( segid " " and resid 107 and name HB2 ))
)(
(( segid " " and resid 107 and name HN ))
)
5.000 5.000 0.000 peak 5813 weight 0.10000E+01 volume 0.13950E+01 ppm1 1.778 ppm2 8.711
ASSI (
(( segid " " and resid 107 and name HB1 ))
)(
(( segid " " and resid 108 and name HN ))
)
6.000 6.000 0.000 peak 5812 weight 0.10000E+01 volume 0.23100E+00 ppm1 1.842 ppm2 8.960
ASSI (
(( segid " " and resid 107 and name HB2 ))
)(
(( segid " " and resid 108 and name HN ))
)
6.000 6.000 0.000 peak 5814 weight 0.10000E+01 volume 0.23700E+00 ppm1 1.778 ppm2 8.963
ASSI (
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)(
(( segid " " and resid 107 and name HN ))
)
5.000 5.000 0.000 peak 5564 weight 0.10000E+01 volume 0.40000E+00 ppm1 2.216 ppm2 8.714
ASSI (
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)(
(( segid " " and resid 108 and name HD21))
)
5.000 5.000 0.000 peak 5562 weight 0.10000E+01 volume 0.35100E+00 ppm1 2.216 ppm2 7.472
ASSI (
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)(
(( segid " " and resid 108 and name HD22))
)
5.000 5.000 0.000 peak 5561 weight 0.10000E+01 volume 0.33400E+00 ppm1 2.216 ppm2 6.830
ASSI (
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 5563 weight 0.10000E+01 volume 0.44800E+00 ppm1 2.212 ppm2 8.961
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)
6.000 6.000 0.000 peak 5823 weight 0.10000E+01 volume 0.17300E+00 ppm1 3.765 ppm2 2.219
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 108 and name HB1 ))
)
5.000 5.000 0.000 peak 5822 weight 0.10000E+01 volume 0.68700E+00 ppm1 3.765 ppm2 1.981
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 108 and name HB2 ))
)
5.000 5.000 0.000 peak 5821 weight 0.10000E+01 volume 0.12870E+01 ppm1 3.765 ppm2 1.084
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 108 and name HD21))
)
5.000 5.000 0.000 peak 5827 weight 0.10000E+01 volume 0.33700E+00 ppm1 3.765 ppm2 7.472
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 108 and name HD22))
)
6.000 6.000 0.000 peak 5825 weight 0.10000E+01 volume 0.22300E+00 ppm1 3.765 ppm2 6.821
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 108 and name HN ))
)
2.700 2.700 0.000 peak 5828 weight 0.10000E+01 volume 0.42360E+01 ppm1 3.765 ppm2 8.963
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 5826 weight 0.10000E+01 volume 0.91200E+00 ppm1 3.765 ppm2 7.579
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name HB1 ))
)
2.700 2.700 0.000 peak 5836 weight 0.10000E+01 volume 0.54990E+01 ppm1 1.086 ppm2 1.982
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name HD21))
)
5.000 5.000 0.000 peak 5841 weight 0.10000E+01 volume 0.75300E+00 ppm1 1.077 ppm2 7.472
ASSI (
(( segid " " and resid 108 and name HB1 ))
)(
(( segid " " and resid 108 and name HD22))
)
5.000 5.000 0.000 peak 5833 weight 0.10000E+01 volume 0.74900E+00 ppm1 1.980 ppm2 6.820
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name HD22))
)
5.000 5.000 0.000 peak 5840 weight 0.10000E+01 volume 0.57000E+00 ppm1 1.077 ppm2 6.822
ASSI (
(( segid " " and resid 108 and name HB1 ))
)(
(( segid " " and resid 108 and name HN ))
)
6.000 6.000 0.000 peak 5835 weight 0.10000E+01 volume 0.22900E+00 ppm1 1.980 ppm2 8.962
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 5842 weight 0.10000E+01 volume 0.33600E+00 ppm1 1.079 ppm2 8.966
ASSI (
(( segid " " and resid 108 and name HB1 ))
)(
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)
6.000 6.000 0.000 peak 7408 weight 0.10000E+01 volume 0.21100E+00 ppm1 1.980 ppm2 7.274
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)
6.000 6.000 0.000 peak 7409 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.083 ppm2 7.277
ASSI (
(( segid " " and resid 108 and name HB1 ))
)(
(( segid " " and resid 156 and name HB1 ))
)
5.000 5.000 0.000 peak 5830 weight 0.10000E+01 volume 0.70400E+00 ppm1 1.980 ppm2 2.670
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 156 and name HB1 ))
)
5.000 5.000 0.000 peak 5838 weight 0.10000E+01 volume 0.35100E+00 ppm1 1.077 ppm2 2.670
ASSI (
(( segid " " and resid 108 and name HB1 ))
)(
(( segid " " and resid 156 and name HB2 ))
)
5.000 5.000 0.000 peak 5831 weight 0.10000E+01 volume 0.50800E+00 ppm1 1.980 ppm2 2.548
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 156 and name HB2 ))
)
5.000 5.000 0.000 peak 5837 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.079 ppm2 2.545
ASSI (
(( segid " " and resid 109 and name HA2 ))
)(
(( segid " " and resid 106 and name HB1 ))
)
5.000 5.000 0.000 peak 5852 weight 0.10000E+01 volume 0.35800E+00 ppm1 3.872 ppm2 1.337
ASSI (
(( segid " " and resid 109 and name HA1 ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
5.000 5.000 0.000 peak 5844 weight 0.10000E+01 volume 0.96400E+00 ppm1 4.345 ppm2 0.642
ASSI (
(( segid " " and resid 109 and name HA2 ))
)(
(( segid " " and resid 106 and name HG ))
)
5.000 5.000 0.000 peak 5851 weight 0.10000E+01 volume 0.47600E+00 ppm1 3.875 ppm2 1.092
ASSI (
(( segid " " and resid 109 and name HA2 ))
)(
(( segid " " and resid 109 and name HA1 ))
)
2.700 2.700 0.000 peak 5848 weight 0.10000E+01 volume 0.60190E+01 ppm1 3.875 ppm2 4.343
ASSI (
(( segid " " and resid 109 and name HA1 ))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 5846 weight 0.10000E+01 volume 0.94200E+00 ppm1 4.345 ppm2 7.580
ASSI (
(( segid " " and resid 109 and name HA1 ))
)(
(( segid " " and resid 110 and name HN ))
)
2.700 2.700 0.000 peak 5847 weight 0.10000E+01 volume 0.38690E+01 ppm1 4.345 ppm2 9.006
ASSI (
(( segid " " and resid 109 and name HA2 ))
)(
(( segid " " and resid 110 and name HN ))
)
2.700 2.700 0.000 peak 5854 weight 0.10000E+01 volume 0.32810E+01 ppm1 3.875 ppm2 9.018
ASSI (
(( segid " " and resid 109 and name HA1 ))
)(
(( segid " " and resid 130 and name HA ))
)
3.300 3.300 0.000 peak 5845 weight 0.10000E+01 volume 0.21470E+01 ppm1 4.345 ppm2 5.036
ASSI (
(( segid " " and resid 109 and name HA2 ))
)(
(( segid " " and resid 130 and name HA ))
)
3.300 3.300 0.000 peak 5849 weight 0.10000E+01 volume 0.19510E+01 ppm1 3.875 ppm2 5.040
ASSI (
(( segid " " and resid 110 and name HA ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)
5.000 5.000 0.000 peak 5855 weight 0.10000E+01 volume 0.72100E+00 ppm1 4.597 ppm2 1.507
ASSI (
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)(
(( segid " " and resid 110 and name HG1 ))
)
2.700 2.700 0.000 peak 5858 weight 0.10000E+01 volume 0.46360E+01 ppm1 1.515 ppm2 1.318
ASSI (
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)(
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
)
5.000 5.000 0.000 peak 5860 weight 0.10000E+01 volume 0.74600E+00 ppm1 1.515 ppm2 7.172
ASSI (
(( segid " " and resid 110 and name HD1 ))
)(
(( segid " " and resid 110 and name HA ))
)
6.000 6.000 0.000 peak 5883 weight 0.10000E+01 volume 0.23500E+00 ppm1 1.689 ppm2 4.599
ASSI (
(( segid " " and resid 110 and name HD2 ))
)(
(( segid " " and resid 110 and name HA ))
)
6.000 6.000 0.000 peak 5888 weight 0.10000E+01 volume 0.17800E+00 ppm1 1.606 ppm2 4.598
ASSI (
(( segid " " and resid 110 and name HD1 ))
)(
(( segid " " and resid 110 and name HE2 ))
OR
(( segid " " and resid 110 and name HE1 ))
)
5.000 5.000 0.000 peak 5880 weight 0.10000E+01 volume 0.10120E+01 ppm1 1.685 ppm2 2.944
ASSI (
(( segid " " and resid 110 and name HD2 ))
)(
(( segid " " and resid 110 and name HE2 ))
OR
(( segid " " and resid 110 and name HE1 ))
)
5.000 5.000 0.000 peak 5887 weight 0.10000E+01 volume 0.11480E+01 ppm1 1.607 ppm2 2.944
ASSI (
(( segid " " and resid 110 and name HD1 ))
)(
(( segid " " and resid 110 and name HG1 ))
)
5.000 5.000 0.000 peak 5879 weight 0.10000E+01 volume 0.52300E+00 ppm1 1.689 ppm2 1.310
ASSI (
(( segid " " and resid 110 and name HD2 ))
)(
(( segid " " and resid 110 and name HG1 ))
)
5.000 5.000 0.000 peak 5886 weight 0.10000E+01 volume 0.55800E+00 ppm1 1.605 ppm2 1.310
ASSI (
(( segid " " and resid 110 and name HD1 ))
)(
(( segid " " and resid 110 and name HG2 ))
)
5.000 5.000 0.000 peak 5878 weight 0.10000E+01 volume 0.38900E+00 ppm1 1.684 ppm2 1.219
ASSI (
(( segid " " and resid 110 and name HD2 ))
)(
(( segid " " and resid 110 and name HG2 ))
)
5.000 5.000 0.000 peak 5885 weight 0.10000E+01 volume 0.55700E+00 ppm1 1.604 ppm2 1.218
ASSI (
(( segid " " and resid 110 and name HD1 ))
)(
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
)
6.000 6.000 0.000 peak 5884 weight 0.10000E+01 volume 0.20900E+00 ppm1 1.689 ppm2 7.180
ASSI (
(( segid " " and resid 110 and name HD2 ))
)(
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
)
6.000 6.000 0.000 peak 5889 weight 0.10000E+01 volume 0.19900E+00 ppm1 1.608 ppm2 7.186
ASSI (
(( segid " " and resid 110 and name HE2 ))
OR
(( segid " " and resid 110 and name HE1 ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)
6.000 6.000 0.000 peak 5892 weight 0.10000E+01 volume 0.19100E+00 ppm1 2.946 ppm2 1.507
ASSI (
(( segid " " and resid 110 and name HE2 ))
OR
(( segid " " and resid 110 and name HE1 ))
)(
(( segid " " and resid 110 and name HG1 ))
)
5.000 5.000 0.000 peak 5891 weight 0.10000E+01 volume 0.31900E+00 ppm1 2.942 ppm2 1.323
ASSI (
(( segid " " and resid 110 and name HE2 ))
OR
(( segid " " and resid 110 and name HE1 ))
)(
(( segid " " and resid 110 and name HG2 ))
)
5.000 5.000 0.000 peak 5890 weight 0.10000E+01 volume 0.36800E+00 ppm1 2.948 ppm2 1.235
ASSI (
(( segid " " and resid 110 and name HG1 ))
)(
(( segid " " and resid 110 and name HA ))
)
6.000 6.000 0.000 peak 5868 weight 0.10000E+01 volume 0.26800E+00 ppm1 1.317 ppm2 4.594
ASSI (
(( segid " " and resid 110 and name HG2 ))
)(
(( segid " " and resid 110 and name HA ))
)
5.000 5.000 0.000 peak 5876 weight 0.10000E+01 volume 0.34100E+00 ppm1 1.232 ppm2 4.598
ASSI (
(( segid " " and resid 110 and name HG2 ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)
2.700 2.700 0.000 peak 5872 weight 0.10000E+01 volume 0.31660E+01 ppm1 1.229 ppm2 1.515
ASSI (
(( segid " " and resid 110 and name HG2 ))
)(
(( segid " " and resid 110 and name HG1 ))
)
2.700 2.700 0.000 peak 5871 weight 0.10000E+01 volume 0.14016E+02 ppm1 1.238 ppm2 1.314
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HB ))
)
5.000 5.000 0.000 peak 6930 weight 0.10000E+01 volume 0.47200E+00 ppm1 4.541 ppm2 1.626
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)
5.000 5.000 0.000 peak 6931 weight 0.10000E+01 volume 0.66200E+00 ppm1 4.543 ppm2 0.738
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
5.000 5.000 0.000 peak 6932 weight 0.10000E+01 volume 0.12200E+01 ppm1 4.543 ppm2 0.613
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 128 and name HA ))
)
5.000 5.000 0.000 peak 6929 weight 0.10000E+01 volume 0.49600E+00 ppm1 4.542 ppm2 5.033
ASSI (
(( segid " " and resid 111 and name HB ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
5.000 5.000 0.000 peak 6938 weight 0.10000E+01 volume 0.34100E+00 ppm1 1.618 ppm2 0.851
ASSI (
(( segid " " and resid 111 and name HB ))
)(
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)
3.300 3.300 0.000 peak 6937 weight 0.10000E+01 volume 0.29360E+01 ppm1 1.616 ppm2 0.744
ASSI (
(( segid " " and resid 111 and name HB ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
2.700 2.700 0.000 peak 6936 weight 0.10000E+01 volume 0.32480E+01 ppm1 1.616 ppm2 0.616
ASSI (
(( segid " " and resid 111 and name HB ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
6.000 6.000 0.000 peak 6935 weight 0.10000E+01 volume 0.24700E+00 ppm1 1.617 ppm2 0.507
ASSI (
(( segid " " and resid 111 and name HB ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
6.000 6.000 0.000 peak 6934 weight 0.10000E+01 volume 0.15900E+00 ppm1 1.618 ppm2 0.344
ASSI (
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)(
(( segid " " and resid 105 and name HN ))
)
5.000 5.000 0.000 peak 6953 weight 0.10000E+01 volume 0.36500E+00 ppm1 0.744 ppm2 7.296
ASSI (
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)(
(( segid " " and resid 106 and name HA ))
)
6.000 6.000 0.000 peak 6948 weight 0.10000E+01 volume 0.18300E+00 ppm1 0.742 ppm2 4.397
ASSI (
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 6955 weight 0.10000E+01 volume 0.75600E+00 ppm1 0.744 ppm2 8.468
ASSI (
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)(
(( segid " " and resid 128 and name HA ))
)
5.000 5.000 0.000 peak 6950 weight 0.10000E+01 volume 0.31400E+00 ppm1 0.744 ppm2 5.031
ASSI (
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
3.300 3.300 0.000 peak 6951 weight 0.10000E+01 volume 0.19040E+01 ppm1 0.744 ppm2 6.976
ASSI (
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
5.000 5.000 0.000 peak 6952 weight 0.10000E+01 volume 0.10910E+01 ppm1 0.744 ppm2 7.093
ASSI (
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 6963 weight 0.10000E+01 volume 0.49100E+00 ppm1 0.611 ppm2 6.976
ASSI (
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
5.000 5.000 0.000 peak 6964 weight 0.10000E+01 volume 0.51600E+00 ppm1 0.611 ppm2 7.099
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 112 and name HB1 ))
)
5.000 5.000 0.000 peak 6969 weight 0.10000E+01 volume 0.53400E+00 ppm1 4.755 ppm2 3.045
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 112 and name HB2 ))
)
5.000 5.000 0.000 peak 6970 weight 0.10000E+01 volume 0.34000E+00 ppm1 4.755 ppm2 2.906
ASSI (
(( segid " " and resid 112 and name HB1 ))
)(
(( segid " " and resid 112 and name HD2 ))
OR
(( segid " " and resid 112 and name HD1 ))
)
5.000 5.000 0.000 peak 6977 weight 0.10000E+01 volume 0.81900E+00 ppm1 3.045 ppm2 7.152
ASSI (
(( segid " " and resid 112 and name HB2 ))
)(
(( segid " " and resid 112 and name HD2 ))
OR
(( segid " " and resid 112 and name HD1 ))
)
5.000 5.000 0.000 peak 6985 weight 0.10000E+01 volume 0.67700E+00 ppm1 2.898 ppm2 7.150
ASSI (
(( segid " " and resid 112 and name HB1 ))
)(
(( segid " " and resid 127 and name HB1 ))
)
5.000 5.000 0.000 peak 6974 weight 0.10000E+01 volume 0.55600E+00 ppm1 3.046 ppm2 2.080
ASSI (
(( segid " " and resid 112 and name HB2 ))
)(
(( segid " " and resid 127 and name HB1 ))
)
5.000 5.000 0.000 peak 6983 weight 0.10000E+01 volume 0.88200E+00 ppm1 2.900 ppm2 2.079
ASSI (
(( segid " " and resid 112 and name HB1 ))
)(
(( segid " " and resid 127 and name HB2 ))
)
5.000 5.000 0.000 peak 6975 weight 0.10000E+01 volume 0.45800E+00 ppm1 3.046 ppm2 1.907
ASSI (
(( segid " " and resid 112 and name HB2 ))
)(
(( segid " " and resid 127 and name HB2 ))
)
5.000 5.000 0.000 peak 6982 weight 0.10000E+01 volume 0.63800E+00 ppm1 2.898 ppm2 1.905
ASSI (
(( segid " " and resid 112 and name HD2 ))
OR
(( segid " " and resid 112 and name HD1 ))
)(
(( segid " " and resid 112 and name HA ))
)
6.000 6.000 0.000 peak 4362 weight 0.10000E+01 volume 0.12700E+00 ppm1 7.150 ppm2 4.752
ASSI (
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
)(
(( segid " " and resid 129 and name HB1 ))
)
6.000 6.000 0.000 peak 4368 weight 0.10000E+01 volume 0.17200E+00 ppm1 7.164 ppm2 1.892
ASSI (
(( segid " " and resid 112 and name HZ ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)
6.000 6.000 0.000 peak 3277 weight 0.10000E+01 volume 0.26300E+00 ppm1 7.198 ppm2 1.509
ASSI (
(( segid " " and resid 125 and name HD2 ))
OR
(( segid " " and resid 125 and name HD1 ))
)(
(( segid " " and resid 125 and name HE ))
)
6.000 6.000 0.000 peak 3787 weight 0.10000E+01 volume 0.25400E+00 ppm1 3.168 ppm2 7.189
ASSI (
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)(
(( segid " " and resid 103 and name HB2 ))
)
5.000 5.000 0.000 peak 5788 weight 0.10000E+01 volume 0.31100E+00 ppm1 0.330 ppm2 2.225
ASSI (
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)(
(( segid " " and resid 142 and name HA ))
)
6.000 6.000 0.000 peak 7346 weight 0.10000E+01 volume 0.13600E+00 ppm1 0.329 ppm2 4.751
ASSI (
(( segid " " and resid 127 and name HA ))
)(
(( segid " " and resid 127 and name HB2 ))
)
5.000 5.000 0.000 peak 6226 weight 0.10000E+01 volume 0.13320E+01 ppm1 5.130 ppm2 1.903
ASSI (
(( segid " " and resid 127 and name HA ))
)(
(( segid " " and resid 127 and name HG1 ))
)
5.000 5.000 0.000 peak 6225 weight 0.10000E+01 volume 0.68700E+00 ppm1 5.128 ppm2 2.361
ASSI (
(( segid " " and resid 127 and name HA ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 6229 weight 0.10000E+01 volume 0.27500E+00 ppm1 5.131 ppm2 6.978
ASSI (
(( segid " " and resid 127 and name HB1 ))
)(
(( segid " " and resid 112 and name HD2 ))
OR
(( segid " " and resid 112 and name HD1 ))
)
6.000 6.000 0.000 peak 5651 weight 0.10000E+01 volume 0.20000E+00 ppm1 2.075 ppm2 7.149
ASSI (
(( segid " " and resid 127 and name HB2 ))
)(
(( segid " " and resid 112 and name HD2 ))
OR
(( segid " " and resid 112 and name HD1 ))
)
6.000 6.000 0.000 peak 5643 weight 0.10000E+01 volume 0.16800E+00 ppm1 1.904 ppm2 7.152
ASSI (
(( segid " " and resid 127 and name HB1 ))
)(
(( segid " " and resid 127 and name HA ))
)
5.000 5.000 0.000 peak 6237 weight 0.10000E+01 volume 0.68400E+00 ppm1 2.073 ppm2 5.131
ASSI (
(( segid " " and resid 127 and name HB1 ))
)(
(( segid " " and resid 127 and name HG1 ))
)
5.000 5.000 0.000 peak 6234 weight 0.10000E+01 volume 0.11460E+01 ppm1 2.071 ppm2 2.364
ASSI (
(( segid " " and resid 127 and name HB2 ))
)(
(( segid " " and resid 127 and name HG1 ))
)
5.000 5.000 0.000 peak 6242 weight 0.10000E+01 volume 0.10650E+01 ppm1 1.905 ppm2 2.362
ASSI (
(( segid " " and resid 127 and name HG2 ))
)(
(( segid " " and resid 127 and name HA ))
)
5.000 5.000 0.000 peak 6253 weight 0.10000E+01 volume 0.39400E+00 ppm1 2.135 ppm2 5.129
ASSI (
(( segid " " and resid 127 and name HG2 ))
)(
(( segid " " and resid 127 and name HB2 ))
)
3.300 3.300 0.000 peak 6251 weight 0.10000E+01 volume 0.18840E+01 ppm1 2.135 ppm2 1.900
ASSI (
(( segid " " and resid 127 and name HG2 ))
)(
(( segid " " and resid 127 and name HG1 ))
)
2.700 2.700 0.000 peak 6252 weight 0.10000E+01 volume 0.86000E+01 ppm1 2.134 ppm2 2.361
ASSI (
(( segid " " and resid 128 and name HA ))
)(
(( segid " " and resid 128 and name HB1 ))
)
5.000 5.000 0.000 peak 6988 weight 0.10000E+01 volume 0.13270E+01 ppm1 5.031 ppm2 2.746
ASSI (
(( segid " " and resid 128 and name HA ))
)(
(( segid " " and resid 128 and name HB2 ))
)
5.000 5.000 0.000 peak 6989 weight 0.10000E+01 volume 0.76200E+00 ppm1 5.031 ppm2 2.595
ASSI (
(( segid " " and resid 128 and name HA ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 6993 weight 0.10000E+01 volume 0.12110E+01 ppm1 5.031 ppm2 6.975
ASSI (
(( segid " " and resid 128 and name HA ))
)(
(( segid " " and resid 129 and name HN ))
)
2.700 2.700 0.000 peak 7336 weight 0.10000E+01 volume 0.43710E+01 ppm1 5.026 ppm2 8.611
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 127 and name HA ))
)
6.000 6.000 0.000 peak 7001 weight 0.10000E+01 volume 0.15900E+00 ppm1 2.591 ppm2 5.133
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 128 and name HB1 ))
)
2.700 2.700 0.000 peak 7004 weight 0.10000E+01 volume 0.58130E+01 ppm1 2.590 ppm2 2.746
ASSI (
(( segid " " and resid 128 and name HB1 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
3.300 3.300 0.000 peak 6690 weight 0.10000E+01 volume 0.18500E+01 ppm1 2.743 ppm2 6.976
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
3.300 3.300 0.000 peak 7000 weight 0.10000E+01 volume 0.18210E+01 ppm1 2.592 ppm2 6.979
ASSI (
(( segid " " and resid 128 and name HB1 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
5.000 5.000 0.000 peak 6691 weight 0.10000E+01 volume 0.34600E+00 ppm1 2.746 ppm2 7.094
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
6.000 6.000 0.000 peak 6999 weight 0.10000E+01 volume 0.19900E+00 ppm1 2.590 ppm2 7.086
ASSI (
(( segid " " and resid 128 and name HB1 ))
)(
(( segid " " and resid 129 and name HN ))
)
5.000 5.000 0.000 peak 6692 weight 0.10000E+01 volume 0.35300E+00 ppm1 2.743 ppm2 8.606
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 7006 weight 0.10000E+01 volume 0.13540E+01 ppm1 2.593 ppm2 0.636
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 7007 weight 0.10000E+01 volume 0.78000E+00 ppm1 2.592 ppm2 0.544
ASSI (
(( segid " " and resid 128 and name HB1 ))
)(
(( segid " " and resid 140 and name HA ))
)
5.000 5.000 0.000 peak 6681 weight 0.10000E+01 volume 0.40100E+00 ppm1 2.745 ppm2 4.452
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 140 and name HA ))
)
5.000 5.000 0.000 peak 7003 weight 0.10000E+01 volume 0.69600E+00 ppm1 2.592 ppm2 4.452
ASSI (
(( segid " " and resid 128 and name HB1 ))
)(
(( segid " " and resid 154 and name HG1 ))
)
5.000 5.000 0.000 peak 6682 weight 0.10000E+01 volume 0.35100E+00 ppm1 2.745 ppm2 1.490
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 154 and name HG1 ))
)
5.000 5.000 0.000 peak 7005 weight 0.10000E+01 volume 0.33200E+00 ppm1 2.594 ppm2 1.492
ASSI (
(( segid " " and resid 128 and name HB2 ))
)(
(( segid " " and resid 154 and name HG2 ))
)
6.000 6.000 0.000 peak 7008 weight 0.10000E+01 volume 0.17300E+00 ppm1 2.593 ppm2 0.368
ASSI (
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
2.700 2.700 0.000 peak 4328 weight 0.10000E+01 volume 0.40260E+01 ppm1 6.974 ppm2 7.093
ASSI (
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)(
(( segid " " and resid 140 and name HA ))
)
5.000 5.000 0.000 peak 4333 weight 0.10000E+01 volume 0.67400E+00 ppm1 6.974 ppm2 4.446
ASSI (
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)(
(( segid " " and resid 154 and name HG1 ))
)
5.000 5.000 0.000 peak 4336 weight 0.10000E+01 volume 0.51200E+00 ppm1 6.974 ppm2 1.490
ASSI (
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)(
(( segid " " and resid 154 and name HG2 ))
)
5.000 5.000 0.000 peak 4342 weight 0.10000E+01 volume 0.35500E+00 ppm1 6.976 ppm2 0.364
ASSI (
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
6.000 6.000 0.000 peak 4345 weight 0.10000E+01 volume 0.21200E+00 ppm1 7.097 ppm2 0.502
ASSI (
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)(
(( segid " " and resid 128 and name HZ ))
)
5.000 5.000 0.000 peak 6300 weight 0.10000E+01 volume 0.60300E+00 ppm1 7.094 ppm2 6.843
ASSI (
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)(
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
)
6.000 6.000 0.000 peak 4340 weight 0.10000E+01 volume 0.27400E+00 ppm1 7.095 ppm2 3.825
ASSI (
(( segid " " and resid 129 and name HB1 ))
)(
(( segid " " and resid 129 and name HA ))
)
5.000 5.000 0.000 peak 7010 weight 0.10000E+01 volume 0.89300E+00 ppm1 1.891 ppm2 4.680
ASSI (
(( segid " " and resid 129 and name HB2 ))
)(
(( segid " " and resid 129 and name HA ))
)
5.000 5.000 0.000 peak 7014 weight 0.10000E+01 volume 0.77100E+00 ppm1 1.746 ppm2 4.677
ASSI (
(( segid " " and resid 129 and name HB1 ))
)(
(( segid " " and resid 129 and name HD1 ))
)
5.000 5.000 0.000 peak 7009 weight 0.10000E+01 volume 0.34100E+00 ppm1 1.891 ppm2 3.279
ASSI (
(( segid " " and resid 129 and name HB2 ))
)(
(( segid " " and resid 129 and name HD1 ))
)
5.000 5.000 0.000 peak 7013 weight 0.10000E+01 volume 0.34900E+00 ppm1 1.751 ppm2 3.278
ASSI (
(( segid " " and resid 129 and name HB1 ))
)(
(( segid " " and resid 130 and name HN ))
)
5.000 5.000 0.000 peak 6542 weight 0.10000E+01 volume 0.43200E+00 ppm1 1.889 ppm2 9.007
ASSI (
(( segid " " and resid 129 and name HB2 ))
)(
(( segid " " and resid 130 and name HN ))
)
5.000 5.000 0.000 peak 7016 weight 0.10000E+01 volume 0.43900E+00 ppm1 1.746 ppm2 9.009
ASSI (
(( segid " " and resid 129 and name HD2 ))
)(
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
)
5.000 5.000 0.000 peak 7039 weight 0.10000E+01 volume 0.30600E+00 ppm1 3.120 ppm2 7.176
ASSI (
(( segid " " and resid 129 and name HD1 ))
)(
(( segid " " and resid 129 and name HA ))
)
6.000 6.000 0.000 peak 7034 weight 0.10000E+01 volume 0.17600E+00 ppm1 3.274 ppm2 4.686
ASSI (
(( segid " " and resid 129 and name HD2 ))
)(
(( segid " " and resid 129 and name HA ))
)
6.000 6.000 0.000 peak 7038 weight 0.10000E+01 volume 0.12200E+00 ppm1 3.120 ppm2 4.686
ASSI (
(( segid " " and resid 129 and name HD2 ))
)(
(( segid " " and resid 129 and name HD1 ))
)
2.700 2.700 0.000 peak 7037 weight 0.10000E+01 volume 0.12770E+02 ppm1 3.120 ppm2 3.275
ASSI (
(( segid " " and resid 129 and name HD1 ))
)(
(( segid " " and resid 129 and name HE ))
)
6.000 6.000 0.000 peak 7036 weight 0.10000E+01 volume 0.16400E+00 ppm1 3.277 ppm2 7.108
ASSI (
(( segid " " and resid 129 and name HD1 ))
)(
(( segid " " and resid 129 and name HG2 ))
)
5.000 5.000 0.000 peak 7035 weight 0.10000E+01 volume 0.46100E+00 ppm1 3.274 ppm2 1.608
ASSI (
(( segid " " and resid 129 and name HG1 ))
)(
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
)
6.000 6.000 0.000 peak 7023 weight 0.10000E+01 volume 0.26300E+00 ppm1 1.715 ppm2 7.162
ASSI (
(( segid " " and resid 129 and name HG2 ))
)(
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
)
5.000 5.000 0.000 peak 7027 weight 0.10000E+01 volume 0.33100E+00 ppm1 1.615 ppm2 7.163
ASSI (
(( segid " " and resid 129 and name HG1 ))
)(
(( segid " " and resid 129 and name HA ))
)
5.000 5.000 0.000 peak 7022 weight 0.10000E+01 volume 0.43500E+00 ppm1 1.722 ppm2 4.682
ASSI (
(( segid " " and resid 129 and name HG2 ))
)(
(( segid " " and resid 129 and name HA ))
)
5.000 5.000 0.000 peak 7028 weight 0.10000E+01 volume 0.32200E+00 ppm1 1.611 ppm2 4.684
ASSI (
(( segid " " and resid 129 and name HG1 ))
)(
(( segid " " and resid 129 and name HB1 ))
)
2.700 2.700 0.000 peak 7019 weight 0.10000E+01 volume 0.35070E+01 ppm1 1.722 ppm2 1.893
ASSI (
(( segid " " and resid 129 and name HG2 ))
)(
(( segid " " and resid 129 and name HB1 ))
)
2.700 2.700 0.000 peak 7030 weight 0.10000E+01 volume 0.38190E+01 ppm1 1.614 ppm2 1.891
ASSI (
(( segid " " and resid 129 and name HG1 ))
)(
(( segid " " and resid 129 and name HD1 ))
)
5.000 5.000 0.000 peak 7021 weight 0.10000E+01 volume 0.51400E+00 ppm1 1.721 ppm2 3.280
ASSI (
(( segid " " and resid 129 and name HG1 ))
)(
(( segid " " and resid 129 and name HD2 ))
)
5.000 5.000 0.000 peak 7020 weight 0.10000E+01 volume 0.60500E+00 ppm1 1.718 ppm2 3.120
ASSI (
(( segid " " and resid 129 and name HG1 ))
)(
(( segid " " and resid 129 and name HG2 ))
)
2.700 2.700 0.000 peak 7018 weight 0.10000E+01 volume 0.90160E+01 ppm1 1.722 ppm2 1.619
ASSI (
(( segid " " and resid 129 and name HG1 ))
)(
(( segid " " and resid 130 and name HN ))
)
6.000 6.000 0.000 peak 7024 weight 0.10000E+01 volume 0.21900E+00 ppm1 1.721 ppm2 9.007
ASSI (
(( segid " " and resid 129 and name HG2 ))
)(
(( segid " " and resid 130 and name HN ))
)
6.000 6.000 0.000 peak 7026 weight 0.10000E+01 volume 0.16400E+00 ppm1 1.612 ppm2 9.007
ASSI (
(( segid " " and resid 130 and name HA ))
)(
(( segid " " and resid 130 and name HB1 ))
)
5.000 5.000 0.000 peak 6255 weight 0.10000E+01 volume 0.12170E+01 ppm1 5.038 ppm2 3.060
ASSI (
(( segid " " and resid 130 and name HA ))
)(
(( segid " " and resid 130 and name HB2 ))
)
5.000 5.000 0.000 peak 6256 weight 0.10000E+01 volume 0.82700E+00 ppm1 5.038 ppm2 2.560
ASSI (
(( segid " " and resid 130 and name HB2 ))
)(
(( segid " " and resid 130 and name HB1 ))
)
2.700 2.700 0.000 peak 6269 weight 0.10000E+01 volume 0.60890E+01 ppm1 2.562 ppm2 3.057
ASSI (
(( segid " " and resid 130 and name HB1 ))
)(
(( segid " " and resid 134 and name HB1 ))
)
5.000 5.000 0.000 peak 6262 weight 0.10000E+01 volume 0.14880E+01 ppm1 3.055 ppm2 3.238
ASSI (
(( segid " " and resid 130 and name HB2 ))
)(
(( segid " " and resid 134 and name HB1 ))
)
5.000 5.000 0.000 peak 6268 weight 0.10000E+01 volume 0.72200E+00 ppm1 2.565 ppm2 3.237
ASSI (
(( segid " " and resid 130 and name HB1 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
6.000 6.000 0.000 peak 6267 weight 0.10000E+01 volume 0.17500E+00 ppm1 3.061 ppm2 6.796
ASSI (
(( segid " " and resid 130 and name HB1 ))
)(
(( segid " " and resid 135 and name HA ))
)
6.000 6.000 0.000 peak 6264 weight 0.10000E+01 volume 0.22400E+00 ppm1 3.056 ppm2 5.119
ASSI (
(( segid " " and resid 130 and name HB2 ))
)(
(( segid " " and resid 135 and name HA ))
)
5.000 5.000 0.000 peak 6270 weight 0.10000E+01 volume 0.40600E+00 ppm1 2.566 ppm2 5.125
ASSI (
(( segid " " and resid 131 and name HB2 ))
)(
(( segid " " and resid 130 and name HA ))
)
6.000 6.000 0.000 peak 7411 weight 0.10000E+01 volume 0.19100E+00 ppm1 2.399 ppm2 5.037
ASSI (
(( segid " " and resid 131 and name HB1 ))
)(
(( segid " " and resid 131 and name HA ))
)
5.000 5.000 0.000 peak 6277 weight 0.10000E+01 volume 0.10460E+01 ppm1 2.905 ppm2 4.697
ASSI (
(( segid " " and resid 131 and name HB2 ))
)(
(( segid " " and resid 131 and name HA ))
)
5.000 5.000 0.000 peak 6283 weight 0.10000E+01 volume 0.79000E+00 ppm1 2.399 ppm2 4.699
ASSI (
(( segid " " and resid 131 and name HB2 ))
)(
(( segid " " and resid 131 and name HB1 ))
)
2.700 2.700 0.000 peak 6280 weight 0.10000E+01 volume 0.60990E+01 ppm1 2.401 ppm2 2.907
ASSI (
(( segid " " and resid 131 and name HB1 ))
)(
(( segid " " and resid 131 and name HN ))
)
5.000 5.000 0.000 peak 6279 weight 0.10000E+01 volume 0.75400E+00 ppm1 2.902 ppm2 8.998
ASSI (
(( segid " " and resid 131 and name HB2 ))
)(
(( segid " " and resid 131 and name HN ))
)
3.300 3.300 0.000 peak 6285 weight 0.10000E+01 volume 0.15630E+01 ppm1 2.399 ppm2 8.998
ASSI (
(( segid " " and resid 131 and name HB1 ))
)(
(( segid " " and resid 132 and name HD1 ))
)
5.000 5.000 0.000 peak 6276 weight 0.10000E+01 volume 0.79300E+00 ppm1 2.902 ppm2 3.842
ASSI (
(( segid " " and resid 131 and name HB2 ))
)(
(( segid " " and resid 132 and name HD1 ))
)
5.000 5.000 0.000 peak 6282 weight 0.10000E+01 volume 0.44200E+00 ppm1 2.400 ppm2 3.848
ASSI (
(( segid " " and resid 131 and name HB1 ))
)(
(( segid " " and resid 132 and name HD2 ))
)
3.300 3.300 0.000 peak 6275 weight 0.10000E+01 volume 0.16360E+01 ppm1 2.906 ppm2 3.651
ASSI (
(( segid " " and resid 131 and name HB2 ))
)(
(( segid " " and resid 132 and name HD2 ))
)
5.000 5.000 0.000 peak 6281 weight 0.10000E+01 volume 0.83100E+00 ppm1 2.403 ppm2 3.649
ASSI (
(( segid " " and resid 131 and name HB1 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6278 weight 0.10000E+01 volume 0.35400E+00 ppm1 2.903 ppm2 6.807
ASSI (
(( segid " " and resid 131 and name HB2 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6284 weight 0.10000E+01 volume 0.67600E+00 ppm1 2.396 ppm2 6.807
ASSI (
(( segid " " and resid 132 and name HA ))
)(
(( segid " " and resid 132 and name HB1 ))
)
3.300 3.300 0.000 peak 6313 weight 0.10000E+01 volume 0.28050E+01 ppm1 4.441 ppm2 2.404
ASSI (
(( segid " " and resid 132 and name HA ))
)(
(( segid " " and resid 132 and name HB2 ))
)
5.000 5.000 0.000 peak 6316 weight 0.10000E+01 volume 0.10950E+01 ppm1 4.441 ppm2 1.883
ASSI (
(( segid " " and resid 132 and name HA ))
)(
(( segid " " and resid 132 and name HD1 ))
)
5.000 5.000 0.000 peak 6317 weight 0.10000E+01 volume 0.36200E+00 ppm1 4.441 ppm2 3.839
ASSI (
(( segid " " and resid 132 and name HA ))
)(
(( segid " " and resid 132 and name HD2 ))
)
5.000 5.000 0.000 peak 6318 weight 0.10000E+01 volume 0.37300E+00 ppm1 4.441 ppm2 3.651
ASSI (
(( segid " " and resid 132 and name HA ))
)(
(( segid " " and resid 132 and name HG1 ))
)
5.000 5.000 0.000 peak 6314 weight 0.10000E+01 volume 0.47200E+00 ppm1 4.441 ppm2 2.151
ASSI (
(( segid " " and resid 132 and name HA ))
)(
(( segid " " and resid 132 and name HG2 ))
)
5.000 5.000 0.000 peak 6315 weight 0.10000E+01 volume 0.93000E+00 ppm1 4.441 ppm2 2.062
ASSI (
(( segid " " and resid 132 and name HA ))
)(
(( segid " " and resid 133 and name HN ))
)
2.700 2.700 0.000 peak 6319 weight 0.10000E+01 volume 0.32950E+01 ppm1 4.441 ppm2 8.594
ASSI (
(( segid " " and resid 132 and name HB2 ))
)(
(( segid " " and resid 132 and name HB1 ))
)
2.700 2.700 0.000 peak 6329 weight 0.10000E+01 volume 0.55290E+01 ppm1 1.887 ppm2 2.404
ASSI (
(( segid " " and resid 132 and name HB1 ))
)(
(( segid " " and resid 132 and name HD1 ))
)
5.000 5.000 0.000 peak 6324 weight 0.10000E+01 volume 0.35600E+00 ppm1 2.402 ppm2 3.842
ASSI (
(( segid " " and resid 132 and name HB2 ))
)(
(( segid " " and resid 132 and name HD1 ))
)
5.000 5.000 0.000 peak 6331 weight 0.10000E+01 volume 0.38900E+00 ppm1 1.892 ppm2 3.842
ASSI (
(( segid " " and resid 132 and name HB1 ))
)(
(( segid " " and resid 132 and name HD2 ))
)
5.000 5.000 0.000 peak 6323 weight 0.10000E+01 volume 0.38700E+00 ppm1 2.403 ppm2 3.651
ASSI (
(( segid " " and resid 132 and name HB2 ))
)(
(( segid " " and resid 132 and name HD2 ))
)
5.000 5.000 0.000 peak 6330 weight 0.10000E+01 volume 0.61100E+00 ppm1 1.888 ppm2 3.650
ASSI (
(( segid " " and resid 132 and name HB1 ))
)(
(( segid " " and resid 132 and name HG1 ))
)
5.000 5.000 0.000 peak 6320 weight 0.10000E+01 volume 0.14990E+01 ppm1 2.402 ppm2 2.158
ASSI (
(( segid " " and resid 132 and name HB2 ))
)(
(( segid " " and resid 132 and name HG1 ))
)
3.300 3.300 0.000 peak 6328 weight 0.10000E+01 volume 0.24590E+01 ppm1 1.892 ppm2 2.157
ASSI (
(( segid " " and resid 132 and name HB1 ))
)(
(( segid " " and resid 132 and name HG2 ))
)
3.300 3.300 0.000 peak 6321 weight 0.10000E+01 volume 0.23480E+01 ppm1 2.401 ppm2 2.058
ASSI (
(( segid " " and resid 132 and name HB2 ))
)(
(( segid " " and resid 132 and name HG2 ))
)
2.700 2.700 0.000 peak 6327 weight 0.10000E+01 volume 0.31650E+01 ppm1 1.886 ppm2 2.069
ASSI (
(( segid " " and resid 132 and name HB1 ))
)(
(( segid " " and resid 133 and name HN ))
)
5.000 5.000 0.000 peak 6326 weight 0.10000E+01 volume 0.38200E+00 ppm1 2.402 ppm2 8.594
ASSI (
(( segid " " and resid 132 and name HD1 ))
)(
(( segid " " and resid 131 and name HA ))
)
2.700 2.700 0.000 peak 6342 weight 0.10000E+01 volume 0.33020E+01 ppm1 3.841 ppm2 4.698
ASSI (
(( segid " " and resid 132 and name HD2 ))
)(
(( segid " " and resid 131 and name HA ))
)
3.300 3.300 0.000 peak 6027 weight 0.10000E+01 volume 0.19820E+01 ppm1 3.648 ppm2 4.698
ASSI (
(( segid " " and resid 132 and name HD1 ))
)(
(( segid " " and resid 131 and name HN ))
)
6.000 6.000 0.000 peak 6348 weight 0.10000E+01 volume 0.11000E+00 ppm1 3.845 ppm2 8.995
ASSI (
(( segid " " and resid 132 and name HD1 ))
)(
(( segid " " and resid 132 and name HG1 ))
)
5.000 5.000 0.000 peak 6345 weight 0.10000E+01 volume 0.12610E+01 ppm1 3.840 ppm2 2.158
ASSI (
(( segid " " and resid 132 and name HD1 ))
)(
(( segid " " and resid 132 and name HG2 ))
)
5.000 5.000 0.000 peak 6346 weight 0.10000E+01 volume 0.13430E+01 ppm1 3.840 ppm2 2.059
ASSI (
(( segid " " and resid 132 and name HD2 ))
)(
(( segid " " and resid 132 and name HG2 ))
)
5.000 5.000 0.000 peak 6349 weight 0.10000E+01 volume 0.10990E+01 ppm1 3.647 ppm2 2.062
ASSI (
(( segid " " and resid 132 and name HG1 ))
)(
(( segid " " and resid 132 and name HD2 ))
)
5.000 5.000 0.000 peak 6334 weight 0.10000E+01 volume 0.13440E+01 ppm1 2.159 ppm2 3.648
ASSI (
(( segid " " and resid 133 and name HA ))
)(
(( segid " " and resid 133 and name HB1 ))
)
5.000 5.000 0.000 peak 6355 weight 0.10000E+01 volume 0.68900E+00 ppm1 4.411 ppm2 2.910
ASSI (
(( segid " " and resid 133 and name HA ))
)(
(( segid " " and resid 133 and name HB2 ))
)
5.000 5.000 0.000 peak 6356 weight 0.10000E+01 volume 0.13240E+01 ppm1 4.409 ppm2 2.816
ASSI (
(( segid " " and resid 133 and name HA ))
)(
(( segid " " and resid 134 and name HN ))
)
5.000 5.000 0.000 peak 6352 weight 0.10000E+01 volume 0.45200E+00 ppm1 4.410 ppm2 8.330
ASSI (
(( segid " " and resid 133 and name HA ))
)(
(( segid " " and resid 159 and name HD21))
)
5.000 5.000 0.000 peak 6353 weight 0.10000E+01 volume 0.61300E+00 ppm1 4.412 ppm2 7.512
ASSI (
(( segid " " and resid 133 and name HA ))
)(
(( segid " " and resid 159 and name HD22))
)
5.000 5.000 0.000 peak 6354 weight 0.10000E+01 volume 0.39400E+00 ppm1 4.411 ppm2 6.626
ASSI (
(( segid " " and resid 133 and name HB1 ))
)(
(( segid " " and resid 133 and name HN ))
)
6.000 6.000 0.000 peak 6358 weight 0.10000E+01 volume 0.24600E+00 ppm1 2.900 ppm2 8.597
ASSI (
(( segid " " and resid 133 and name HB2 ))
)(
(( segid " " and resid 133 and name HN ))
)
5.000 5.000 0.000 peak 6360 weight 0.10000E+01 volume 0.40600E+00 ppm1 2.816 ppm2 8.596
ASSI (
(( segid " " and resid 133 and name HB2 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
6.000 6.000 0.000 peak 6361 weight 0.10000E+01 volume 0.16400E+00 ppm1 2.813 ppm2 6.809
ASSI (
(( segid " " and resid 133 and name HB2 ))
)(
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)
6.000 6.000 0.000 peak 6362 weight 0.10000E+01 volume 0.12900E+00 ppm1 2.821 ppm2 7.268
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 134 and name HB1 ))
)
5.000 5.000 0.000 peak 6363 weight 0.10000E+01 volume 0.71400E+00 ppm1 4.938 ppm2 3.229
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 134 and name HB2 ))
)
3.300 3.300 0.000 peak 6364 weight 0.10000E+01 volume 0.18270E+01 ppm1 4.937 ppm2 2.527
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6367 weight 0.10000E+01 volume 0.63400E+00 ppm1 4.940 ppm2 6.804
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 134 and name HN ))
)
5.000 5.000 0.000 peak 6369 weight 0.10000E+01 volume 0.77600E+00 ppm1 4.938 ppm2 8.329
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 158 and name HA ))
)
3.300 3.300 0.000 peak 6365 weight 0.10000E+01 volume 0.25930E+01 ppm1 4.938 ppm2 3.455
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
)
5.000 5.000 0.000 peak 6366 weight 0.10000E+01 volume 0.37400E+00 ppm1 4.938 ppm2 0.775
ASSI (
(( segid " " and resid 134 and name HA ))
)(
(( segid " " and resid 159 and name HN ))
)
3.300 3.300 0.000 peak 6368 weight 0.10000E+01 volume 0.19320E+01 ppm1 4.939 ppm2 7.935
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 130 and name HB1 ))
)
5.000 5.000 0.000 peak 6380 weight 0.10000E+01 volume 0.82000E+00 ppm1 2.521 ppm2 3.060
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 131 and name HN ))
)
6.000 6.000 0.000 peak 6389 weight 0.10000E+01 volume 0.14700E+00 ppm1 2.522 ppm2 9.007
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 134 and name HB1 ))
)
2.700 2.700 0.000 peak 6379 weight 0.10000E+01 volume 0.34040E+01 ppm1 2.521 ppm2 3.239
ASSI (
(( segid " " and resid 134 and name HB1 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6375 weight 0.10000E+01 volume 0.10010E+01 ppm1 3.231 ppm2 6.802
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6385 weight 0.10000E+01 volume 0.11400E+01 ppm1 2.521 ppm2 6.804
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 134 and name HN ))
)
5.000 5.000 0.000 peak 6386 weight 0.10000E+01 volume 0.39200E+00 ppm1 2.522 ppm2 8.327
ASSI (
(( segid " " and resid 134 and name HB1 ))
)(
(( segid " " and resid 135 and name HN ))
)
6.000 6.000 0.000 peak 6377 weight 0.10000E+01 volume 0.28600E+00 ppm1 3.233 ppm2 9.183
ASSI (
(( segid " " and resid 134 and name HB1 ))
)(
(( segid " " and resid 156 and name HA ))
)
6.000 6.000 0.000 peak 6374 weight 0.10000E+01 volume 0.23300E+00 ppm1 3.233 ppm2 5.042
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 156 and name HA ))
)
6.000 6.000 0.000 peak 6384 weight 0.10000E+01 volume 0.23600E+00 ppm1 2.520 ppm2 5.052
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 156 and name HB1 ))
)
5.000 5.000 0.000 peak 6382 weight 0.10000E+01 volume 0.49100E+00 ppm1 2.519 ppm2 2.669
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 157 and name HN ))
)
6.000 6.000 0.000 peak 6388 weight 0.10000E+01 volume 0.21900E+00 ppm1 2.522 ppm2 9.069
ASSI (
(( segid " " and resid 134 and name HB2 ))
)(
(( segid " " and resid 158 and name HA ))
)
6.000 6.000 0.000 peak 6381 weight 0.10000E+01 volume 0.17500E+00 ppm1 2.522 ppm2 3.454
ASSI (
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)(
(( segid " " and resid 133 and name HB1 ))
)
6.000 6.000 0.000 peak 4322 weight 0.10000E+01 volume 0.29700E+00 ppm1 6.807 ppm2 2.906
ASSI (
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)(
(( segid " " and resid 158 and name HA ))
)
5.000 5.000 0.000 peak 4320 weight 0.10000E+01 volume 0.39000E+00 ppm1 6.807 ppm2 3.455
ASSI (
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)(
(( segid " " and resid 158 and name HB ))
)
6.000 6.000 0.000 peak 4325 weight 0.10000E+01 volume 0.18400E+00 ppm1 6.807 ppm2 1.862
ASSI (
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)(
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)
6.000 6.000 0.000 peak 4326 weight 0.10000E+01 volume 0.11400E+00 ppm1 6.805 ppm2 0.854
ASSI (
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)(
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
)
6.000 6.000 0.000 peak 4327 weight 0.10000E+01 volume 0.15400E+00 ppm1 6.807 ppm2 0.769
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 131 and name HB2 ))
)
6.000 6.000 0.000 peak 4352 weight 0.10000E+01 volume 0.17600E+00 ppm1 7.276 ppm2 2.405
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 133 and name HB1 ))
)
6.000 6.000 0.000 peak 4350 weight 0.10000E+01 volume 0.23100E+00 ppm1 7.275 ppm2 2.906
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 134 and name HB1 ))
)
6.000 6.000 0.000 peak 4349 weight 0.10000E+01 volume 0.13600E+00 ppm1 7.274 ppm2 3.232
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 134 and name HB2 ))
)
6.000 6.000 0.000 peak 4351 weight 0.10000E+01 volume 0.26500E+00 ppm1 7.275 ppm2 2.530
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 157 and name HA ))
)
6.000 6.000 0.000 peak 4357 weight 0.10000E+01 volume 0.14000E+00 ppm1 7.274 ppm2 4.838
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 158 and name HA ))
)
6.000 6.000 0.000 peak 4348 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.278 ppm2 3.457
ASSI (
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)(
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)
6.000 6.000 0.000 peak 4355 weight 0.10000E+01 volume 0.23600E+00 ppm1 7.273 ppm2 0.848
ASSI (
(( segid " " and resid 135 and name HA ))
)(
(( segid " " and resid 135 and name HB2 ))
OR
(( segid " " and resid 135 and name HB1 ))
)
3.300 3.300 0.000 peak 6224 weight 0.10000E+01 volume 0.26780E+01 ppm1 5.121 ppm2 3.283
ASSI (
(( segid " " and resid 135 and name HA ))
)(
(( segid " " and resid 135 and name HN ))
)
5.000 5.000 0.000 peak 6231 weight 0.10000E+01 volume 0.63300E+00 ppm1 5.124 ppm2 9.190
ASSI (
(( segid " " and resid 135 and name HA ))
)(
(( segid " " and resid 136 and name HN ))
)
2.700 2.700 0.000 peak 6232 weight 0.10000E+01 volume 0.40590E+01 ppm1 5.125 ppm2 8.736
ASSI (
(( segid " " and resid 135 and name HB2 ))
OR
(( segid " " and resid 135 and name HB1 ))
)(
(( segid " " and resid 135 and name HD2 ))
)
5.000 5.000 0.000 peak 6391 weight 0.10000E+01 volume 0.46500E+00 ppm1 3.281 ppm2 7.009
ASSI (
(( segid " " and resid 135 and name HD2 ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)
5.000 5.000 0.000 peak 4275 weight 0.10000E+01 volume 0.10540E+01 ppm1 7.004 ppm2 0.802
ASSI (
(( segid " " and resid 135 and name HE1 ))
)(
(( segid " " and resid 157 and name HB2 ))
)
6.000 6.000 0.000 peak 6311 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.547 ppm2 1.305
ASSI (
(( segid " " and resid 135 and name HE1 ))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
5.000 5.000 0.000 peak 6310 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.547 ppm2 2.453
ASSI (
(( segid " " and resid 135 and name HE1 ))
)(
(( segid " " and resid 159 and name HA ))
)
5.000 5.000 0.000 peak 6309 weight 0.10000E+01 volume 0.56900E+00 ppm1 8.546 ppm2 4.335
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 136 and name HB1 ))
)
5.000 5.000 0.000 peak 6394 weight 0.10000E+01 volume 0.92100E+00 ppm1 4.260 ppm2 1.738
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 136 and name HB2 ))
)
3.300 3.300 0.000 peak 6395 weight 0.10000E+01 volume 0.15450E+01 ppm1 4.262 ppm2 1.458
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 6398 weight 0.10000E+01 volume 0.46900E+00 ppm1 4.260 ppm2 0.628
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
3.300 3.300 0.000 peak 6399 weight 0.10000E+01 volume 0.19160E+01 ppm1 4.263 ppm2 0.542
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 136 and name HG ))
)
5.000 5.000 0.000 peak 6396 weight 0.10000E+01 volume 0.12280E+01 ppm1 4.264 ppm2 1.152
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 136 and name HN ))
)
5.000 5.000 0.000 peak 6401 weight 0.10000E+01 volume 0.91000E+00 ppm1 4.261 ppm2 8.740
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)
5.000 5.000 0.000 peak 6397 weight 0.10000E+01 volume 0.36000E+00 ppm1 4.262 ppm2 0.800
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 137 and name HN ))
)
2.700 2.700 0.000 peak 6402 weight 0.10000E+01 volume 0.43220E+01 ppm1 4.261 ppm2 8.928
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 156 and name HA ))
)
5.000 5.000 0.000 peak 6400 weight 0.10000E+01 volume 0.12570E+01 ppm1 4.261 ppm2 5.071
ASSI (
(( segid " " and resid 136 and name HA ))
)(
(( segid " " and resid 157 and name HN ))
)
5.000 5.000 0.000 peak 6403 weight 0.10000E+01 volume 0.36500E+00 ppm1 4.261 ppm2 9.067
ASSI (
(( segid " " and resid 136 and name HB1 ))
)(
(( segid " " and resid 135 and name HA ))
)
6.000 6.000 0.000 peak 6409 weight 0.10000E+01 volume 0.20300E+00 ppm1 1.734 ppm2 5.123
ASSI (
(( segid " " and resid 136 and name HB2 ))
)(
(( segid " " and resid 135 and name HA ))
)
6.000 6.000 0.000 peak 6417 weight 0.10000E+01 volume 0.29600E+00 ppm1 1.458 ppm2 5.122
ASSI (
(( segid " " and resid 136 and name HB2 ))
)(
(( segid " " and resid 136 and name HB1 ))
)
2.700 2.700 0.000 peak 6415 weight 0.10000E+01 volume 0.68790E+01 ppm1 1.456 ppm2 1.739
ASSI (
(( segid " " and resid 136 and name HB1 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
3.300 3.300 0.000 peak 6406 weight 0.10000E+01 volume 0.18610E+01 ppm1 1.734 ppm2 0.628
ASSI (
(( segid " " and resid 136 and name HB2 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 6412 weight 0.10000E+01 volume 0.12540E+01 ppm1 1.453 ppm2 0.627
ASSI (
(( segid " " and resid 136 and name HB1 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6407 weight 0.10000E+01 volume 0.85300E+00 ppm1 1.731 ppm2 0.541
ASSI (
(( segid " " and resid 136 and name HB1 ))
)(
(( segid " " and resid 136 and name HG ))
)
5.000 5.000 0.000 peak 6405 weight 0.10000E+01 volume 0.10400E+01 ppm1 1.732 ppm2 1.141
ASSI (
(( segid " " and resid 136 and name HB1 ))
)(
(( segid " " and resid 137 and name HN ))
)
6.000 6.000 0.000 peak 6411 weight 0.10000E+01 volume 0.16100E+00 ppm1 1.736 ppm2 8.928
ASSI (
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)(
(( segid " " and resid 128 and name HB1 ))
)
5.000 5.000 0.000 peak 6430 weight 0.10000E+01 volume 0.32100E+00 ppm1 0.623 ppm2 2.747
ASSI (
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 6435 weight 0.10000E+01 volume 0.24900E+00 ppm1 0.626 ppm2 6.978
ASSI (
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)(
(( segid " " and resid 140 and name HA ))
)
3.300 3.300 0.000 peak 6434 weight 0.10000E+01 volume 0.19210E+01 ppm1 0.623 ppm2 4.455
ASSI (
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)(
(( segid " " and resid 140 and name HB1 ))
)
5.000 5.000 0.000 peak 6433 weight 0.10000E+01 volume 0.51100E+00 ppm1 0.625 ppm2 4.382
ASSI (
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)(
(( segid " " and resid 140 and name HB2 ))
)
5.000 5.000 0.000 peak 6431 weight 0.10000E+01 volume 0.97400E+00 ppm1 0.624 ppm2 3.959
ASSI (
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)(
(( segid " " and resid 140 and name HN ))
)
6.000 6.000 0.000 peak 6436 weight 0.10000E+01 volume 0.22400E+00 ppm1 0.622 ppm2 8.517
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 128 and name HB1 ))
)
5.000 5.000 0.000 peak 6442 weight 0.10000E+01 volume 0.76000E+00 ppm1 0.541 ppm2 2.747
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 6450 weight 0.10000E+01 volume 0.30100E+00 ppm1 0.541 ppm2 6.977
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 136 and name HB2 ))
)
3.300 3.300 0.000 peak 6439 weight 0.10000E+01 volume 0.20810E+01 ppm1 0.543 ppm2 1.456
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 136 and name HG ))
)
5.000 5.000 0.000 peak 6438 weight 0.10000E+01 volume 0.86600E+00 ppm1 0.541 ppm2 1.152
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 137 and name HN ))
)
5.000 5.000 0.000 peak 6453 weight 0.10000E+01 volume 0.51400E+00 ppm1 0.541 ppm2 8.927
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 140 and name HA ))
)
5.000 5.000 0.000 peak 6446 weight 0.10000E+01 volume 0.51800E+00 ppm1 0.543 ppm2 4.451
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 154 and name HB1 ))
)
5.000 5.000 0.000 peak 6441 weight 0.10000E+01 volume 0.43800E+00 ppm1 0.542 ppm2 1.877
ASSI (
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)(
(( segid " " and resid 155 and name HN ))
)
6.000 6.000 0.000 peak 6451 weight 0.10000E+01 volume 0.25200E+00 ppm1 0.542 ppm2 7.903
ASSI (
(( segid " " and resid 136 and name HG ))
)(
(( segid " " and resid 136 and name HB2 ))
)
3.300 3.300 0.000 peak 6421 weight 0.10000E+01 volume 0.15060E+01 ppm1 1.147 ppm2 1.441
ASSI (
(( segid " " and resid 136 and name HG ))
)(
(( segid " " and resid 137 and name HN ))
)
5.000 5.000 0.000 peak 6425 weight 0.10000E+01 volume 0.64700E+00 ppm1 1.145 ppm2 8.929
ASSI (
(( segid " " and resid 136 and name HG ))
)(
(( segid " " and resid 154 and name HB1 ))
)
5.000 5.000 0.000 peak 6423 weight 0.10000E+01 volume 0.30400E+00 ppm1 1.147 ppm2 1.877
ASSI (
(( segid " " and resid 137 and name HA ))
)(
(( segid " " and resid 137 and name HB ))
)
5.000 5.000 0.000 peak 7425 weight 0.10000E+01 volume 0.73100E+00 ppm1 4.128 ppm2 1.173
ASSI (
(( segid " " and resid 137 and name HA ))
)(
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)
3.300 3.300 0.000 peak 6455 weight 0.10000E+01 volume 0.25780E+01 ppm1 4.128 ppm2 0.865
ASSI (
(( segid " " and resid 137 and name HA ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)
3.300 3.300 0.000 peak 6456 weight 0.10000E+01 volume 0.23340E+01 ppm1 4.129 ppm2 0.801
ASSI (
(( segid " " and resid 137 and name HA ))
)(
(( segid " " and resid 137 and name HN ))
)
5.000 5.000 0.000 peak 6459 weight 0.10000E+01 volume 0.59100E+00 ppm1 4.130 ppm2 8.930
ASSI (
(( segid " " and resid 137 and name HA ))
)(
(( segid " " and resid 138 and name HN ))
)
2.700 2.700 0.000 peak 6458 weight 0.10000E+01 volume 0.47970E+01 ppm1 4.128 ppm2 8.408
ASSI (
(( segid " " and resid 137 and name HB ))
)(
(( segid " " and resid 136 and name HA ))
)
6.000 6.000 0.000 peak 6466 weight 0.10000E+01 volume 0.20000E+00 ppm1 1.170 ppm2 4.260
ASSI (
(( segid " " and resid 137 and name HB ))
)(
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)
2.700 2.700 0.000 peak 6461 weight 0.10000E+01 volume 0.39480E+01 ppm1 1.171 ppm2 0.866
ASSI (
(( segid " " and resid 137 and name HB ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)
2.700 2.700 0.000 peak 6460 weight 0.10000E+01 volume 0.40330E+01 ppm1 1.173 ppm2 0.798
ASSI (
(( segid " " and resid 137 and name HB ))
)(
(( segid " " and resid 155 and name HE1 ))
)
6.000 6.000 0.000 peak 6464 weight 0.10000E+01 volume 0.23100E+00 ppm1 1.170 ppm2 8.585
ASSI (
(( segid " " and resid 137 and name HB ))
)(
(( segid " " and resid 155 and name HN ))
)
5.000 5.000 0.000 peak 6463 weight 0.10000E+01 volume 0.34700E+00 ppm1 1.171 ppm2 7.906
ASSI (
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)(
(( segid " " and resid 137 and name HN ))
)
6.000 6.000 0.000 peak 6469 weight 0.10000E+01 volume 0.21900E+00 ppm1 0.863 ppm2 8.931
ASSI (
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)(
(( segid " " and resid 138 and name HN ))
)
5.000 5.000 0.000 peak 6467 weight 0.10000E+01 volume 0.68500E+00 ppm1 0.862 ppm2 8.406
ASSI (
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)(
(( segid " " and resid 138 and name HN ))
)
5.000 5.000 0.000 peak 6468 weight 0.10000E+01 volume 0.36500E+00 ppm1 0.800 ppm2 8.406
ASSI (
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)(
(( segid " " and resid 157 and name HB1 ))
)
5.000 5.000 0.000 peak 6473 weight 0.10000E+01 volume 0.11030E+01 ppm1 0.799 ppm2 1.684
ASSI (
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
5.000 5.000 0.000 peak 6474 weight 0.10000E+01 volume 0.65600E+00 ppm1 0.800 ppm2 2.452
ASSI (
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)(
(( segid " " and resid 157 and name HN ))
)
5.000 5.000 0.000 peak 6471 weight 0.10000E+01 volume 0.32000E+00 ppm1 0.799 ppm2 9.065
ASSI (
(( segid " " and resid 138 and name HA2 ))
)(
(( segid " " and resid 137 and name HA ))
)
5.000 5.000 0.000 peak 6480 weight 0.10000E+01 volume 0.40100E+00 ppm1 3.598 ppm2 4.125
ASSI (
(( segid " " and resid 138 and name HA2 ))
)(
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)
5.000 5.000 0.000 peak 6483 weight 0.10000E+01 volume 0.31800E+00 ppm1 3.597 ppm2 0.864
ASSI (
(( segid " " and resid 138 and name HA2 ))
)(
(( segid " " and resid 138 and name HA1 ))
)
2.700 2.700 0.000 peak 6479 weight 0.10000E+01 volume 0.44490E+01 ppm1 3.598 ppm2 4.551
ASSI (
(( segid " " and resid 138 and name HA1 ))
)(
(( segid " " and resid 139 and name HN ))
)
5.000 5.000 0.000 peak 6478 weight 0.10000E+01 volume 0.93200E+00 ppm1 4.548 ppm2 8.644
ASSI (
(( segid " " and resid 138 and name HA2 ))
)(
(( segid " " and resid 139 and name HN ))
)
3.300 3.300 0.000 peak 6486 weight 0.10000E+01 volume 0.15510E+01 ppm1 3.598 ppm2 8.641
ASSI (
(( segid " " and resid 138 and name HA2 ))
)(
(( segid " " and resid 154 and name HA ))
)
6.000 6.000 0.000 peak 6481 weight 0.10000E+01 volume 0.29900E+00 ppm1 3.598 ppm2 4.715
ASSI (
(( segid " " and resid 138 and name HA2 ))
)(
(( segid " " and resid 154 and name HB1 ))
)
5.000 5.000 0.000 peak 6482 weight 0.10000E+01 volume 0.35000E+00 ppm1 3.596 ppm2 1.873
ASSI (
(( segid " " and resid 138 and name HA2 ))
)(
(( segid " " and resid 154 and name HB2 ))
)
6.000 6.000 0.000 peak 6484 weight 0.10000E+01 volume 0.15700E+00 ppm1 3.600 ppm2 1.411
ASSI (
(( segid " " and resid 139 and name HA ))
)(
(( segid " " and resid 139 and name HB1 ))
)
5.000 5.000 0.000 peak 6488 weight 0.10000E+01 volume 0.14760E+01 ppm1 4.478 ppm2 4.078
ASSI (
(( segid " " and resid 139 and name HA ))
)(
(( segid " " and resid 139 and name HB2 ))
)
3.300 3.300 0.000 peak 6487 weight 0.10000E+01 volume 0.15350E+01 ppm1 4.480 ppm2 3.908
ASSI (
(( segid " " and resid 139 and name HA ))
)(
(( segid " " and resid 139 and name HN ))
)
5.000 5.000 0.000 peak 6490 weight 0.10000E+01 volume 0.88600E+00 ppm1 4.480 ppm2 8.635
ASSI (
(( segid " " and resid 139 and name HA ))
)(
(( segid " " and resid 140 and name HN ))
)
2.700 2.700 0.000 peak 6489 weight 0.10000E+01 volume 0.36880E+01 ppm1 4.480 ppm2 8.518
ASSI (
(( segid " " and resid 139 and name HB2 ))
)(
(( segid " " and resid 139 and name HB1 ))
)
2.700 2.700 0.000 peak 6498 weight 0.10000E+01 volume 0.83840E+01 ppm1 3.908 ppm2 4.080
ASSI (
(( segid " " and resid 139 and name HB1 ))
)(
(( segid " " and resid 140 and name HN ))
)
5.000 5.000 0.000 peak 6495 weight 0.10000E+01 volume 0.32800E+00 ppm1 4.079 ppm2 8.523
ASSI (
(( segid " " and resid 139 and name HB2 ))
)(
(( segid " " and resid 140 and name HN ))
)
6.000 6.000 0.000 peak 7412 weight 0.10000E+01 volume 0.28200E+00 ppm1 3.909 ppm2 8.521
ASSI (
(( segid " " and resid 139 and name HB1 ))
)(
(( segid " " and resid 141 and name HN ))
)
5.000 5.000 0.000 peak 6494 weight 0.10000E+01 volume 0.35100E+00 ppm1 4.080 ppm2 7.672
ASSI (
(( segid " " and resid 139 and name HB2 ))
)(
(( segid " " and resid 141 and name HN ))
)
6.000 6.000 0.000 peak 6501 weight 0.10000E+01 volume 0.19600E+00 ppm1 3.910 ppm2 7.670
ASSI (
(( segid " " and resid 139 and name HB1 ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
5.000 5.000 0.000 peak 6493 weight 0.10000E+01 volume 0.10090E+01 ppm1 4.080 ppm2 1.493
ASSI (
(( segid " " and resid 139 and name HB2 ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
5.000 5.000 0.000 peak 6499 weight 0.10000E+01 volume 0.11180E+01 ppm1 3.910 ppm2 1.493
ASSI (
(( segid " " and resid 140 and name HA ))
)(
(( segid " " and resid 140 and name HB2 ))
)
3.300 3.300 0.000 peak 6502 weight 0.10000E+01 volume 0.17760E+01 ppm1 4.450 ppm2 3.958
ASSI (
(( segid " " and resid 140 and name HA ))
)(
(( segid " " and resid 140 and name HN ))
)
5.000 5.000 0.000 peak 6509 weight 0.10000E+01 volume 0.72000E+00 ppm1 4.448 ppm2 8.517
ASSI (
(( segid " " and resid 140 and name HA ))
)(
(( segid " " and resid 141 and name HN ))
)
5.000 5.000 0.000 peak 6508 weight 0.10000E+01 volume 0.47400E+00 ppm1 4.450 ppm2 7.678
ASSI (
(( segid " " and resid 140 and name HB1 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6514 weight 0.10000E+01 volume 0.34200E+00 ppm1 4.386 ppm2 0.535
ASSI (
(( segid " " and resid 140 and name HB2 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6518 weight 0.10000E+01 volume 0.31500E+00 ppm1 3.959 ppm2 0.539
ASSI (
(( segid " " and resid 140 and name HB1 ))
)(
(( segid " " and resid 138 and name HN ))
)
3.300 3.300 0.000 peak 6510 weight 0.10000E+01 volume 0.18080E+01 ppm1 4.388 ppm2 8.356
ASSI (
(( segid " " and resid 140 and name HB2 ))
)(
(( segid " " and resid 140 and name HB1 ))
)
2.700 2.700 0.000 peak 6515 weight 0.10000E+01 volume 0.10464E+02 ppm1 3.959 ppm2 4.382
ASSI (
(( segid " " and resid 140 and name HB1 ))
)(
(( segid " " and resid 140 and name HN ))
)
5.000 5.000 0.000 peak 6511 weight 0.10000E+01 volume 0.78200E+00 ppm1 4.384 ppm2 8.519
ASSI (
(( segid " " and resid 140 and name HB2 ))
)(
(( segid " " and resid 141 and name HN ))
)
6.000 6.000 0.000 peak 6519 weight 0.10000E+01 volume 0.18800E+00 ppm1 3.958 ppm2 7.673
ASSI (
(( segid " " and resid 141 and name HB1 ))
)(
(( segid " " and resid 141 and name HN ))
)
5.000 5.000 0.000 peak 6540 weight 0.10000E+01 volume 0.38200E+00 ppm1 1.895 ppm2 7.669
ASSI (
(( segid " " and resid 141 and name HB2 ))
)(
(( segid " " and resid 141 and name HN ))
)
5.000 5.000 0.000 peak 6544 weight 0.10000E+01 volume 0.47800E+00 ppm1 1.772 ppm2 7.673
ASSI (
(( segid " " and resid 141 and name HD2 ))
OR
(( segid " " and resid 141 and name HD1 ))
)(
(( segid " " and resid 141 and name HE ))
)
6.000 6.000 0.000 peak 7348 weight 0.10000E+01 volume 0.17400E+00 ppm1 3.157 ppm2 7.353
ASSI (
(( segid " " and resid 141 and name HG1 ))
)(
(( segid " " and resid 141 and name HN ))
)
6.000 6.000 0.000 peak 7427 weight 0.10000E+01 volume 0.16700E+00 ppm1 1.680 ppm2 7.672
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
6.000 6.000 0.000 peak 7436 weight 0.10000E+01 volume 0.18200E+00 ppm1 3.850 ppm2 6.460
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
6.000 6.000 0.000 peak 7440 weight 0.10000E+01 volume 0.17200E+00 ppm1 3.781 ppm2 6.450
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
5.000 5.000 0.000 peak 7435 weight 0.10000E+01 volume 0.31300E+00 ppm1 3.845 ppm2 6.729
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
5.000 5.000 0.000 peak 7439 weight 0.10000E+01 volume 0.30900E+00 ppm1 3.789 ppm2 6.728
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
6.000 6.000 0.000 peak 6549 weight 0.10000E+01 volume 0.26900E+00 ppm1 3.851 ppm2 0.505
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
6.000 6.000 0.000 peak 6562 weight 0.10000E+01 volume 0.18300E+00 ppm1 3.786 ppm2 0.505
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 6550 weight 0.10000E+01 volume 0.10550E+01 ppm1 3.852 ppm2 0.335
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 6561 weight 0.10000E+01 volume 0.95400E+00 ppm1 3.790 ppm2 0.335
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 7433 weight 0.10000E+01 volume 0.14500E+00 ppm1 3.850 ppm2 6.983
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 7437 weight 0.10000E+01 volume 0.16700E+00 ppm1 3.795 ppm2 6.987
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
5.000 5.000 0.000 peak 6552 weight 0.10000E+01 volume 0.58100E+00 ppm1 3.850 ppm2 7.095
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
5.000 5.000 0.000 peak 6558 weight 0.10000E+01 volume 0.67100E+00 ppm1 3.790 ppm2 7.097
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 142 and name HA ))
)
5.000 5.000 0.000 peak 6551 weight 0.10000E+01 volume 0.10300E+01 ppm1 3.852 ppm2 4.749
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 142 and name HA ))
)
3.300 3.300 0.000 peak 6556 weight 0.10000E+01 volume 0.15360E+01 ppm1 3.788 ppm2 4.746
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 142 and name HN ))
)
5.000 5.000 0.000 peak 6554 weight 0.10000E+01 volume 0.42000E+00 ppm1 3.854 ppm2 8.602
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 142 and name HN ))
)
5.000 5.000 0.000 peak 6559 weight 0.10000E+01 volume 0.46600E+00 ppm1 3.790 ppm2 8.598
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 149 and name HE3 ))
)
5.000 5.000 0.000 peak 6553 weight 0.10000E+01 volume 0.74900E+00 ppm1 3.852 ppm2 7.257
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 149 and name HE3 ))
)
5.000 5.000 0.000 peak 6557 weight 0.10000E+01 volume 0.61400E+00 ppm1 3.790 ppm2 7.255
ASSI (
(( segid " " and resid 142 and name HB1 ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
6.000 6.000 0.000 peak 6548 weight 0.10000E+01 volume 0.17900E+00 ppm1 3.844 ppm2 1.492
ASSI (
(( segid " " and resid 142 and name HB2 ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
6.000 6.000 0.000 peak 6560 weight 0.10000E+01 volume 0.21300E+00 ppm1 3.791 ppm2 1.491
ASSI (
(( segid " " and resid 143 and name HB ))
)(
(( segid " " and resid 125 and name HG2 ))
)
6.000 6.000 0.000 peak 7074 weight 0.10000E+01 volume 0.26000E+00 ppm1 2.042 ppm2 1.646
ASSI (
(( segid " " and resid 143 and name HB ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
OR
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)
3.300 3.300 0.000 peak 7073 weight 0.10000E+01 volume 0.29740E+01 ppm1 2.043 ppm2 0.939
ASSI (
(( segid " " and resid 143 and name HB ))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
)
5.000 5.000 0.000 peak 7075 weight 0.10000E+01 volume 0.61000E+00 ppm1 2.043 ppm2 4.298
ASSI (
(( segid " " and resid 143 and name HB ))
)(
(( segid " " and resid 150 and name HN ))
)
6.000 6.000 0.000 peak 7080 weight 0.10000E+01 volume 0.14600E+00 ppm1 2.044 ppm2 9.255
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 125 and name HD2 ))
OR
(( segid " " and resid 125 and name HD1 ))
)
5.000 5.000 0.000 peak 7082 weight 0.10000E+01 volume 0.56400E+00 ppm1 0.968 ppm2 3.175
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 142 and name HA ))
)
6.000 6.000 0.000 peak 7086 weight 0.10000E+01 volume 0.15800E+00 ppm1 0.970 ppm2 4.736
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 143 and name HB ))
)
3.300 3.300 0.000 peak 7081 weight 0.10000E+01 volume 0.25050E+01 ppm1 0.968 ppm2 2.048
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 144 and name HN ))
)
5.000 5.000 0.000 peak 7091 weight 0.10000E+01 volume 0.39400E+00 ppm1 0.968 ppm2 8.798
ASSI (
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)(
(( segid " " and resid 145 and name HB1 ))
)
6.000 6.000 0.000 peak 7084 weight 0.10000E+01 volume 0.10500E+00 ppm1 0.967 ppm2 3.728
ASSI (
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
)(
(( segid " " and resid 143 and name HB ))
)
3.300 3.300 0.000 peak 7092 weight 0.10000E+01 volume 0.22940E+01 ppm1 0.915 ppm2 2.044
ASSI (
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
)(
(( segid " " and resid 144 and name HN ))
)
5.000 5.000 0.000 peak 7099 weight 0.10000E+01 volume 0.79500E+00 ppm1 0.915 ppm2 8.792
ASSI (
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
)
5.000 5.000 0.000 peak 7095 weight 0.10000E+01 volume 0.36400E+00 ppm1 0.915 ppm2 4.295
ASSI (
(( segid " " and resid 144 and name HA ))
)(
(( segid " " and resid 144 and name HB2 ))
)
5.000 5.000 0.000 peak 5690 weight 0.10000E+01 volume 0.12130E+01 ppm1 4.259 ppm2 0.639
ASSI (
(( segid " " and resid 144 and name HA ))
)(
(( segid " " and resid 144 and name HN ))
)
5.000 5.000 0.000 peak 7107 weight 0.10000E+01 volume 0.50200E+00 ppm1 4.262 ppm2 8.802
ASSI (
(( segid " " and resid 144 and name HA ))
)(
(( segid " " and resid 145 and name HN ))
)
2.700 2.700 0.000 peak 7106 weight 0.10000E+01 volume 0.33830E+01 ppm1 4.262 ppm2 8.402
ASSI (
(( segid " " and resid 144 and name HA ))
)(
(( segid " " and resid 149 and name HA ))
)
3.300 3.300 0.000 peak 7104 weight 0.10000E+01 volume 0.16820E+01 ppm1 4.263 ppm2 5.131
ASSI (
(( segid " " and resid 144 and name HA ))
)(
(( segid " " and resid 149 and name HE3 ))
)
5.000 5.000 0.000 peak 7105 weight 0.10000E+01 volume 0.32300E+00 ppm1 4.261 ppm2 7.258
ASSI (
(( segid " " and resid 144 and name HA ))
)(
(( segid " " and resid 150 and name HN ))
)
5.000 5.000 0.000 peak 7108 weight 0.10000E+01 volume 0.30500E+00 ppm1 4.261 ppm2 9.254
ASSI (
(( segid " " and resid 144 and name HB2 ))
)(
(( segid " " and resid 144 and name HN ))
)
5.000 5.000 0.000 peak 7130 weight 0.10000E+01 volume 0.86100E+00 ppm1 0.631 ppm2 8.801
ASSI (
(( segid " " and resid 145 and name HA ))
)(
(( segid " " and resid 145 and name HB1 ))
)
5.000 5.000 0.000 peak 7138 weight 0.10000E+01 volume 0.69600E+00 ppm1 4.771 ppm2 3.732
ASSI (
(( segid " " and resid 145 and name HA ))
)(
(( segid " " and resid 145 and name HB2 ))
)
5.000 5.000 0.000 peak 7137 weight 0.10000E+01 volume 0.46800E+00 ppm1 4.768 ppm2 3.632
ASSI (
(( segid " " and resid 145 and name HA ))
)(
(( segid " " and resid 146 and name HN ))
)
3.300 3.300 0.000 peak 7139 weight 0.10000E+01 volume 0.16040E+01 ppm1 4.770 ppm2 9.403
ASSI (
(( segid " " and resid 145 and name HB1 ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
)
5.000 5.000 0.000 peak 7141 weight 0.10000E+01 volume 0.33900E+00 ppm1 3.725 ppm2 0.915
ASSI (
(( segid " " and resid 145 and name HB2 ))
)(
(( segid " " and resid 145 and name HB1 ))
)
2.700 2.700 0.000 peak 7147 weight 0.10000E+01 volume 0.14655E+02 ppm1 3.634 ppm2 3.729
ASSI (
(( segid " " and resid 145 and name HB1 ))
)(
(( segid " " and resid 145 and name HN ))
)
5.000 5.000 0.000 peak 7145 weight 0.10000E+01 volume 0.49000E+00 ppm1 3.726 ppm2 8.407
ASSI (
(( segid " " and resid 145 and name HB2 ))
)(
(( segid " " and resid 145 and name HN ))
)
5.000 5.000 0.000 peak 7152 weight 0.10000E+01 volume 0.40900E+00 ppm1 3.634 ppm2 8.406
ASSI (
(( segid " " and resid 145 and name HB1 ))
)(
(( segid " " and resid 146 and name HN ))
)
6.000 6.000 0.000 peak 7146 weight 0.10000E+01 volume 0.14900E+00 ppm1 3.723 ppm2 9.413
ASSI (
(( segid " " and resid 145 and name HB2 ))
)(
(( segid " " and resid 146 and name HN ))
)
6.000 6.000 0.000 peak 7153 weight 0.10000E+01 volume 0.24800E+00 ppm1 3.634 ppm2 9.411
ASSI (
(( segid " " and resid 146 and name HA ))
)(
(( segid " " and resid 146 and name HB1 ))
)
3.300 3.300 0.000 peak 7444 weight 0.10000E+01 volume 0.15520E+01 ppm1 3.750 ppm2 2.168
ASSI (
(( segid " " and resid 146 and name HA ))
)(
(( segid " " and resid 146 and name HB2 ))
)
5.000 5.000 0.000 peak 7445 weight 0.10000E+01 volume 0.65400E+00 ppm1 3.750 ppm2 2.034
ASSI (
(( segid " " and resid 146 and name HA ))
)(
(( segid " " and resid 146 and name HG1 ))
)
5.000 5.000 0.000 peak 7442 weight 0.10000E+01 volume 0.60800E+00 ppm1 3.750 ppm2 2.356
ASSI (
(( segid " " and resid 146 and name HA ))
)(
(( segid " " and resid 146 and name HG2 ))
)
5.000 5.000 0.000 peak 7443 weight 0.10000E+01 volume 0.96700E+00 ppm1 3.750 ppm2 2.289
ASSI (
(( segid " " and resid 146 and name HA ))
)(
(( segid " " and resid 146 and name HN ))
)
3.300 3.300 0.000 peak 7446 weight 0.10000E+01 volume 0.28720E+01 ppm1 3.750 ppm2 9.411
ASSI (
(( segid " " and resid 146 and name HB2 ))
)(
(( segid " " and resid 146 and name HB1 ))
)
2.700 2.700 0.000 peak 7161 weight 0.10000E+01 volume 0.11497E+02 ppm1 2.034 ppm2 2.169
ASSI (
(( segid " " and resid 146 and name HB1 ))
)(
(( segid " " and resid 146 and name HG1 ))
)
2.700 2.700 0.000 peak 7158 weight 0.10000E+01 volume 0.30800E+01 ppm1 2.166 ppm2 2.361
ASSI (
(( segid " " and resid 146 and name HB2 ))
)(
(( segid " " and resid 146 and name HG1 ))
)
3.300 3.300 0.000 peak 7163 weight 0.10000E+01 volume 0.20790E+01 ppm1 2.034 ppm2 2.365
ASSI (
(( segid " " and resid 146 and name HB1 ))
)(
(( segid " " and resid 146 and name HG2 ))
)
3.300 3.300 0.000 peak 7157 weight 0.10000E+01 volume 0.27490E+01 ppm1 2.168 ppm2 2.288
ASSI (
(( segid " " and resid 146 and name HB2 ))
)(
(( segid " " and resid 146 and name HG2 ))
)
3.300 3.300 0.000 peak 7162 weight 0.10000E+01 volume 0.20470E+01 ppm1 2.034 ppm2 2.294
ASSI (
(( segid " " and resid 146 and name HB1 ))
)(
(( segid " " and resid 146 and name HN ))
)
6.000 6.000 0.000 peak 7160 weight 0.10000E+01 volume 0.22700E+00 ppm1 2.166 ppm2 9.411
ASSI (
(( segid " " and resid 146 and name HB2 ))
)(
(( segid " " and resid 146 and name HN ))
)
6.000 6.000 0.000 peak 7165 weight 0.10000E+01 volume 0.18100E+00 ppm1 2.034 ppm2 9.404
ASSI (
(( segid " " and resid 146 and name HG1 ))
)(
(( segid " " and resid 146 and name HN ))
)
5.000 5.000 0.000 peak 7167 weight 0.10000E+01 volume 0.33200E+00 ppm1 2.353 ppm2 9.408
ASSI (
(( segid " " and resid 146 and name HG2 ))
)(
(( segid " " and resid 146 and name HN ))
)
5.000 5.000 0.000 peak 7173 weight 0.10000E+01 volume 0.32700E+00 ppm1 2.292 ppm2 9.408
ASSI (
(( segid " " and resid 147 and name HA2 ))
)(
(( segid " " and resid 147 and name HA1 ))
)
2.700 2.700 0.000 peak 7182 weight 0.10000E+01 volume 0.95240E+01 ppm1 3.215 ppm2 3.771
ASSI (
(( segid " " and resid 147 and name HA1 ))
)(
(( segid " " and resid 148 and name HN ))
)
5.000 5.000 0.000 peak 7179 weight 0.10000E+01 volume 0.40000E+00 ppm1 3.770 ppm2 7.526
ASSI (
(( segid " " and resid 147 and name HA2 ))
)(
(( segid " " and resid 148 and name HN ))
)
5.000 5.000 0.000 peak 7188 weight 0.10000E+01 volume 0.38700E+00 ppm1 3.216 ppm2 7.524
ASSI (
(( segid " " and resid 148 and name HA ))
)(
(( segid " " and resid 148 and name HB1 ))
)
5.000 5.000 0.000 peak 7190 weight 0.10000E+01 volume 0.12320E+01 ppm1 4.494 ppm2 2.017
ASSI (
(( segid " " and resid 148 and name HA ))
)(
(( segid " " and resid 148 and name HB2 ))
)
5.000 5.000 0.000 peak 7191 weight 0.10000E+01 volume 0.90500E+00 ppm1 4.495 ppm2 1.844
ASSI (
(( segid " " and resid 148 and name HA ))
)(
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)
5.000 5.000 0.000 peak 7189 weight 0.10000E+01 volume 0.82900E+00 ppm1 4.495 ppm2 2.257
ASSI (
(( segid " " and resid 148 and name HA ))
)(
(( segid " " and resid 148 and name HN ))
)
5.000 5.000 0.000 peak 7193 weight 0.10000E+01 volume 0.51200E+00 ppm1 4.498 ppm2 7.523
ASSI (
(( segid " " and resid 148 and name HB1 ))
)(
(( segid " " and resid 148 and name HB2 ))
)
2.700 2.700 0.000 peak 7195 weight 0.10000E+01 volume 0.77730E+01 ppm1 2.013 ppm2 1.844
ASSI (
(( segid " " and resid 148 and name HB1 ))
)(
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)
5.000 5.000 0.000 peak 7194 weight 0.10000E+01 volume 0.55600E+00 ppm1 2.015 ppm2 2.276
ASSI (
(( segid " " and resid 148 and name HB2 ))
)(
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)
6.000 6.000 0.000 peak 7199 weight 0.10000E+01 volume 0.28800E+00 ppm1 1.849 ppm2 2.284
ASSI (
(( segid " " and resid 149 and name HA ))
)(
(( segid " " and resid 149 and name HB1 ))
)
5.000 5.000 0.000 peak 7207 weight 0.10000E+01 volume 0.11040E+01 ppm1 5.132 ppm2 3.416
ASSI (
(( segid " " and resid 149 and name HA ))
)(
(( segid " " and resid 149 and name HB2 ))
)
5.000 5.000 0.000 peak 7208 weight 0.10000E+01 volume 0.68000E+00 ppm1 5.132 ppm2 2.615
ASSI (
(( segid " " and resid 149 and name HA ))
)(
(( segid " " and resid 149 and name HE3 ))
)
5.000 5.000 0.000 peak 7210 weight 0.10000E+01 volume 0.10730E+01 ppm1 5.133 ppm2 7.257
ASSI (
(( segid " " and resid 149 and name HB2 ))
)(
(( segid " " and resid 142 and name HA ))
)
6.000 6.000 0.000 peak 7228 weight 0.10000E+01 volume 0.12200E+00 ppm1 2.612 ppm2 4.758
ASSI (
(( segid " " and resid 149 and name HB1 ))
)(
(( segid " " and resid 142 and name HB1 ))
)
6.000 6.000 0.000 peak 7214 weight 0.10000E+01 volume 0.18700E+00 ppm1 3.412 ppm2 3.843
ASSI (
(( segid " " and resid 149 and name HB1 ))
)(
(( segid " " and resid 148 and name HA ))
)
6.000 6.000 0.000 peak 7216 weight 0.10000E+01 volume 0.99000E-01 ppm1 3.416 ppm2 4.495
ASSI (
(( segid " " and resid 149 and name HB2 ))
)(
(( segid " " and resid 148 and name HA ))
)
6.000 6.000 0.000 peak 7226 weight 0.10000E+01 volume 0.29700E+00 ppm1 2.614 ppm2 4.499
ASSI (
(( segid " " and resid 149 and name HB2 ))
)(
(( segid " " and resid 149 and name HB1 ))
)
2.700 2.700 0.000 peak 7225 weight 0.10000E+01 volume 0.46940E+01 ppm1 2.615 ppm2 3.417
ASSI (
(( segid " " and resid 149 and name HB1 ))
)(
(( segid " " and resid 149 and name HE3 ))
)
5.000 5.000 0.000 peak 7221 weight 0.10000E+01 volume 0.53400E+00 ppm1 3.415 ppm2 7.254
ASSI (
(( segid " " and resid 149 and name HB2 ))
)(
(( segid " " and resid 149 and name HE3 ))
)
6.000 6.000 0.000 peak 7232 weight 0.10000E+01 volume 0.26900E+00 ppm1 2.617 ppm2 7.259
ASSI (
(( segid " " and resid 149 and name HB1 ))
)(
(( segid " " and resid 150 and name HN ))
)
5.000 5.000 0.000 peak 7224 weight 0.10000E+01 volume 0.38900E+00 ppm1 3.413 ppm2 9.252
ASSI (
(( segid " " and resid 149 and name HB1 ))
)(
(( segid " " and resid 151 and name HN ))
)
5.000 5.000 0.000 peak 7222 weight 0.10000E+01 volume 0.38600E+00 ppm1 3.414 ppm2 7.631
ASSI (
(( segid " " and resid 149 and name HE3 ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
6.000 6.000 0.000 peak 4282 weight 0.10000E+01 volume 0.29400E+00 ppm1 7.254 ppm2 0.336
ASSI (
(( segid " " and resid 149 and name HE3 ))
)(
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
)
5.000 5.000 0.000 peak 4279 weight 0.10000E+01 volume 0.56500E+00 ppm1 7.256 ppm2 3.819
ASSI (
(( segid " " and resid 149 and name HE3 ))
)(
(( segid " " and resid 144 and name HB2 ))
)
6.000 6.000 0.000 peak 4311 weight 0.10000E+01 volume 0.20700E+00 ppm1 7.255 ppm2 0.625
ASSI (
(( segid " " and resid 149 and name HE3 ))
)(
(( segid " " and resid 144 and name HN ))
)
6.000 6.000 0.000 peak 6168 weight 0.10000E+01 volume 0.17300E+00 ppm1 7.248 ppm2 8.796
ASSI (
(( segid " " and resid 149 and name HE3 ))
)(
(( segid " " and resid 149 and name HH2 ))
)
6.000 6.000 0.000 peak 6169 weight 0.10000E+01 volume 0.17100E+00 ppm1 7.255 ppm2 6.624
ASSI (
(( segid " " and resid 149 and name HE3 ))
)(
(( segid " " and resid 149 and name HZ3 ))
)
5.000 5.000 0.000 peak 4310 weight 0.10000E+01 volume 0.10430E+01 ppm1 7.255 ppm2 6.816
ASSI (
(( segid " " and resid 149 and name HE3 ))
)(
(( segid " " and resid 150 and name HN ))
)
5.000 5.000 0.000 peak 6167 weight 0.10000E+01 volume 0.35400E+00 ppm1 7.254 ppm2 9.250
ASSI (
(( segid " " and resid 149 and name HH2 ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
5.000 5.000 0.000 peak 4284 weight 0.10000E+01 volume 0.75000E+00 ppm1 6.629 ppm2 0.504
ASSI (
(( segid " " and resid 149 and name HH2 ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 4286 weight 0.10000E+01 volume 0.37300E+00 ppm1 6.629 ppm2 0.338
ASSI (
(( segid " " and resid 149 and name HH2 ))
)(
(( segid " " and resid 149 and name HZ3 ))
)
3.300 3.300 0.000 peak 4267 weight 0.10000E+01 volume 0.28530E+01 ppm1 6.629 ppm2 6.819
ASSI (
(( segid " " and resid 149 and name HZ3 ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
5.000 5.000 0.000 peak 6303 weight 0.10000E+01 volume 0.41300E+00 ppm1 6.816 ppm2 0.506
ASSI (
(( segid " " and resid 149 and name HZ3 ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 6304 weight 0.10000E+01 volume 0.42700E+00 ppm1 6.816 ppm2 0.339
ASSI (
(( segid " " and resid 150 and name HA ))
)(
(( segid " " and resid 150 and name HN ))
)
5.000 5.000 0.000 peak 7044 weight 0.10000E+01 volume 0.69200E+00 ppm1 4.291 ppm2 9.251
ASSI (
(( segid " " and resid 150 and name HA ))
)(
(( segid " " and resid 151 and name HN ))
)
5.000 5.000 0.000 peak 7042 weight 0.10000E+01 volume 0.38800E+00 ppm1 4.291 ppm2 7.629
ASSI (
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
)(
(( segid " " and resid 150 and name HN ))
)
5.000 5.000 0.000 peak 7048 weight 0.10000E+01 volume 0.14150E+01 ppm1 4.297 ppm2 9.252
ASSI (
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
5.000 5.000 0.000 peak 7046 weight 0.10000E+01 volume 0.66500E+00 ppm1 4.300 ppm2 1.494
ASSI (
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
)(
(( segid " " and resid 151 and name HN ))
)
5.000 5.000 0.000 peak 7047 weight 0.10000E+01 volume 0.31900E+00 ppm1 4.297 ppm2 7.630
ASSI (
(( segid " " and resid 151 and name HA ))
)(
(( segid " " and resid 151 and name HB ))
)
3.300 3.300 0.000 peak 6563 weight 0.10000E+01 volume 0.15390E+01 ppm1 5.191 ppm2 4.530
ASSI (
(( segid " " and resid 151 and name HA ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
3.300 3.300 0.000 peak 6566 weight 0.10000E+01 volume 0.18670E+01 ppm1 5.192 ppm2 1.493
ASSI (
(( segid " " and resid 151 and name HA ))
)(
(( segid " " and resid 151 and name HN ))
)
5.000 5.000 0.000 peak 6569 weight 0.10000E+01 volume 0.50200E+00 ppm1 5.190 ppm2 7.631
ASSI (
(( segid " " and resid 151 and name HA ))
)(
(( segid " " and resid 152 and name HD2 ))
)
3.300 3.300 0.000 peak 6565 weight 0.10000E+01 volume 0.17450E+01 ppm1 5.191 ppm2 3.730
ASSI (
(( segid " " and resid 151 and name HA ))
)(
(( segid " " and resid 152 and name HG1 ))
)
6.000 6.000 0.000 peak 6567 weight 0.10000E+01 volume 0.16600E+00 ppm1 5.190 ppm2 2.097
ASSI (
(( segid " " and resid 151 and name HA ))
)(
(( segid " " and resid 152 and name HG2 ))
)
6.000 6.000 0.000 peak 6568 weight 0.10000E+01 volume 0.15100E+00 ppm1 5.190 ppm2 2.027
ASSI (
(( segid " " and resid 151 and name HB ))
)(
(( segid " " and resid 139 and name HB2 ))
)
5.000 5.000 0.000 peak 6572 weight 0.10000E+01 volume 0.51400E+00 ppm1 4.524 ppm2 3.908
ASSI (
(( segid " " and resid 151 and name HB ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
3.300 3.300 0.000 peak 6574 weight 0.10000E+01 volume 0.18320E+01 ppm1 4.529 ppm2 1.495
ASSI (
(( segid " " and resid 151 and name HB ))
)(
(( segid " " and resid 152 and name HD1 ))
)
5.000 5.000 0.000 peak 6573 weight 0.10000E+01 volume 0.86100E+00 ppm1 4.527 ppm2 3.990
ASSI (
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)(
(( segid " " and resid 139 and name HN ))
)
6.000 6.000 0.000 peak 6585 weight 0.10000E+01 volume 0.11200E+00 ppm1 1.493 ppm2 8.625
ASSI (
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)(
(( segid " " and resid 142 and name HA ))
)
5.000 5.000 0.000 peak 6576 weight 0.10000E+01 volume 0.44300E+00 ppm1 1.491 ppm2 4.747
ASSI (
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)(
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
)
6.000 6.000 0.000 peak 6582 weight 0.10000E+01 volume 0.19100E+00 ppm1 1.491 ppm2 3.810
ASSI (
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)(
(( segid " " and resid 151 and name HN ))
)
5.000 5.000 0.000 peak 6584 weight 0.10000E+01 volume 0.47700E+00 ppm1 1.494 ppm2 7.629
ASSI (
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)(
(( segid " " and resid 152 and name HD1 ))
)
5.000 5.000 0.000 peak 6580 weight 0.10000E+01 volume 0.31100E+00 ppm1 1.492 ppm2 3.985
ASSI (
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)(
(( segid " " and resid 152 and name HD2 ))
)
5.000 5.000 0.000 peak 6583 weight 0.10000E+01 volume 0.35700E+00 ppm1 1.491 ppm2 3.727
ASSI (
(( segid " " and resid 152 and name HB1 ))
)(
(( segid " " and resid 152 and name HA ))
)
3.300 3.300 0.000 peak 6591 weight 0.10000E+01 volume 0.16170E+01 ppm1 2.455 ppm2 4.692
ASSI (
(( segid " " and resid 152 and name HB2 ))
)(
(( segid " " and resid 152 and name HA ))
)
5.000 5.000 0.000 peak 6598 weight 0.10000E+01 volume 0.81100E+00 ppm1 1.776 ppm2 4.692
ASSI (
(( segid " " and resid 152 and name HB2 ))
)(
(( segid " " and resid 152 and name HB1 ))
)
2.700 2.700 0.000 peak 6595 weight 0.10000E+01 volume 0.74810E+01 ppm1 1.774 ppm2 2.454
ASSI (
(( segid " " and resid 152 and name HB1 ))
)(
(( segid " " and resid 152 and name HD1 ))
)
6.000 6.000 0.000 peak 6589 weight 0.10000E+01 volume 0.22500E+00 ppm1 2.451 ppm2 3.988
ASSI (
(( segid " " and resid 152 and name HB1 ))
)(
(( segid " " and resid 152 and name HD2 ))
)
6.000 6.000 0.000 peak 6590 weight 0.10000E+01 volume 0.22700E+00 ppm1 2.454 ppm2 3.727
ASSI (
(( segid " " and resid 152 and name HB2 ))
)(
(( segid " " and resid 152 and name HD2 ))
)
5.000 5.000 0.000 peak 6597 weight 0.10000E+01 volume 0.44400E+00 ppm1 1.778 ppm2 3.722
ASSI (
(( segid " " and resid 152 and name HB1 ))
)(
(( segid " " and resid 152 and name HG1 ))
)
5.000 5.000 0.000 peak 6586 weight 0.10000E+01 volume 0.10100E+01 ppm1 2.452 ppm2 2.100
ASSI (
(( segid " " and resid 152 and name HB2 ))
)(
(( segid " " and resid 152 and name HG1 ))
)
5.000 5.000 0.000 peak 6594 weight 0.10000E+01 volume 0.13010E+01 ppm1 1.773 ppm2 2.105
ASSI (
(( segid " " and resid 152 and name HB1 ))
)(
(( segid " " and resid 152 and name HG2 ))
)
5.000 5.000 0.000 peak 6587 weight 0.10000E+01 volume 0.10650E+01 ppm1 2.452 ppm2 2.038
ASSI (
(( segid " " and resid 152 and name HB2 ))
)(
(( segid " " and resid 152 and name HG2 ))
)
5.000 5.000 0.000 peak 6593 weight 0.10000E+01 volume 0.14030E+01 ppm1 1.774 ppm2 2.038
ASSI (
(( segid " " and resid 152 and name HB1 ))
)(
(( segid " " and resid 153 and name HN ))
)
5.000 5.000 0.000 peak 6592 weight 0.10000E+01 volume 0.52600E+00 ppm1 2.452 ppm2 8.376
ASSI (
(( segid " " and resid 152 and name HB2 ))
)(
(( segid " " and resid 153 and name HN ))
)
5.000 5.000 0.000 peak 6599 weight 0.10000E+01 volume 0.38700E+00 ppm1 1.771 ppm2 8.378
ASSI (
(( segid " " and resid 152 and name HD1 ))
)(
(( segid " " and resid 151 and name HA ))
)
2.700 2.700 0.000 peak 6608 weight 0.10000E+01 volume 0.37900E+01 ppm1 3.984 ppm2 5.190
ASSI (
(( segid " " and resid 152 and name HD2 ))
)(
(( segid " " and resid 151 and name HB ))
)
3.300 3.300 0.000 peak 6617 weight 0.10000E+01 volume 0.15510E+01 ppm1 3.726 ppm2 4.527
ASSI (
(( segid " " and resid 152 and name HD1 ))
)(
(( segid " " and resid 152 and name HB2 ))
)
5.000 5.000 0.000 peak 6614 weight 0.10000E+01 volume 0.43700E+00 ppm1 3.982 ppm2 1.774
ASSI (
(( segid " " and resid 152 and name HD2 ))
)(
(( segid " " and resid 152 and name HD1 ))
)
2.700 2.700 0.000 peak 6616 weight 0.10000E+01 volume 0.76290E+01 ppm1 3.723 ppm2 3.988
ASSI (
(( segid " " and resid 152 and name HD1 ))
)(
(( segid " " and resid 152 and name HG1 ))
)
5.000 5.000 0.000 peak 6612 weight 0.10000E+01 volume 0.12530E+01 ppm1 3.986 ppm2 2.103
ASSI (
(( segid " " and resid 152 and name HD2 ))
)(
(( segid " " and resid 152 and name HG1 ))
)
5.000 5.000 0.000 peak 6621 weight 0.10000E+01 volume 0.11890E+01 ppm1 3.723 ppm2 2.100
ASSI (
(( segid " " and resid 152 and name HD1 ))
)(
(( segid " " and resid 152 and name HG2 ))
)
5.000 5.000 0.000 peak 6613 weight 0.10000E+01 volume 0.12410E+01 ppm1 3.984 ppm2 2.034
ASSI (
(( segid " " and resid 152 and name HD2 ))
)(
(( segid " " and resid 152 and name HG2 ))
)
5.000 5.000 0.000 peak 6622 weight 0.10000E+01 volume 0.74800E+00 ppm1 3.724 ppm2 2.035
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
6.000 6.000 0.000 peak 6628 weight 0.10000E+01 volume 0.26900E+00 ppm1 3.437 ppm2 6.729
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
6.000 6.000 0.000 peak 6632 weight 0.10000E+01 volume 0.15700E+00 ppm1 3.438 ppm2 7.093
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 153 and name HB2 ))
)
5.000 5.000 0.000 peak 6630 weight 0.10000E+01 volume 0.11090E+01 ppm1 3.438 ppm2 0.533
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 153 and name HG1 ))
)
5.000 5.000 0.000 peak 6629 weight 0.10000E+01 volume 0.48800E+00 ppm1 3.437 ppm2 1.115
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 6631 weight 0.10000E+01 volume 0.10060E+01 ppm1 3.437 ppm2 0.357
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 153 and name HN ))
)
5.000 5.000 0.000 peak 6633 weight 0.10000E+01 volume 0.58800E+00 ppm1 3.439 ppm2 8.377
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 154 and name HD1 ))
)
3.300 3.300 0.000 peak 6625 weight 0.10000E+01 volume 0.21270E+01 ppm1 3.438 ppm2 2.894
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 154 and name HD2 ))
)
3.300 3.300 0.000 peak 6626 weight 0.10000E+01 volume 0.22960E+01 ppm1 3.438 ppm2 1.806
ASSI (
(( segid " " and resid 153 and name HA ))
)(
(( segid " " and resid 154 and name HG1 ))
)
5.000 5.000 0.000 peak 6627 weight 0.10000E+01 volume 0.32500E+00 ppm1 3.438 ppm2 1.490
ASSI (
(( segid " " and resid 153 and name HB1 ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
6.000 6.000 0.000 peak 7413 weight 0.10000E+01 volume 0.14100E+00 ppm1 1.205 ppm2 6.732
ASSI (
(( segid " " and resid 153 and name HB1 ))
)(
(( segid " " and resid 153 and name HA ))
)
5.000 5.000 0.000 peak 6637 weight 0.10000E+01 volume 0.55900E+00 ppm1 1.209 ppm2 3.438
ASSI (
(( segid " " and resid 153 and name HB1 ))
)(
(( segid " " and resid 153 and name HB2 ))
)
2.700 2.700 0.000 peak 6635 weight 0.10000E+01 volume 0.54900E+01 ppm1 1.206 ppm2 0.531
ASSI (
(( segid " " and resid 153 and name HB1 ))
)(
(( segid " " and resid 153 and name HD2 ))
)
5.000 5.000 0.000 peak 6634 weight 0.10000E+01 volume 0.46800E+00 ppm1 1.205 ppm2 0.997
ASSI (
(( segid " " and resid 153 and name HB2 ))
)(
(( segid " " and resid 153 and name HD2 ))
)
5.000 5.000 0.000 peak 6640 weight 0.10000E+01 volume 0.43200E+00 ppm1 0.527 ppm2 0.987
ASSI (
(( segid " " and resid 153 and name HB2 ))
)(
(( segid " " and resid 153 and name HG1 ))
)
5.000 5.000 0.000 peak 6641 weight 0.10000E+01 volume 0.89100E+00 ppm1 0.525 ppm2 1.127
ASSI (
(( segid " " and resid 153 and name HB1 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 6636 weight 0.10000E+01 volume 0.84800E+00 ppm1 1.207 ppm2 0.359
ASSI (
(( segid " " and resid 153 and name HB2 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 6639 weight 0.10000E+01 volume 0.13240E+01 ppm1 0.520 ppm2 0.354
ASSI (
(( segid " " and resid 153 and name HB1 ))
)(
(( segid " " and resid 153 and name HN ))
)
5.000 5.000 0.000 peak 6638 weight 0.10000E+01 volume 0.11920E+01 ppm1 1.204 ppm2 8.375
ASSI (
(( segid " " and resid 153 and name HD1 ))
)(
(( segid " " and resid 153 and name HB2 ))
)
5.000 5.000 0.000 peak 6663 weight 0.10000E+01 volume 0.52100E+00 ppm1 1.194 ppm2 0.523
ASSI (
(( segid " " and resid 153 and name HD1 ))
)(
(( segid " " and resid 153 and name HD2 ))
)
2.700 2.700 0.000 peak 6662 weight 0.10000E+01 volume 0.47550E+01 ppm1 1.196 ppm2 0.987
ASSI (
(( segid " " and resid 153 and name HD1 ))
)(
(( segid " " and resid 153 and name HE1 ))
)
5.000 5.000 0.000 peak 6660 weight 0.10000E+01 volume 0.43000E+00 ppm1 1.196 ppm2 2.862
ASSI (
(( segid " " and resid 153 and name HD2 ))
)(
(( segid " " and resid 153 and name HE1 ))
)
5.000 5.000 0.000 peak 6667 weight 0.10000E+01 volume 0.47400E+00 ppm1 0.984 ppm2 2.859
ASSI (
(( segid " " and resid 153 and name HD1 ))
)(
(( segid " " and resid 153 and name HE2 ))
)
5.000 5.000 0.000 peak 6661 weight 0.10000E+01 volume 0.71800E+00 ppm1 1.195 ppm2 2.751
ASSI (
(( segid " " and resid 153 and name HD2 ))
)(
(( segid " " and resid 153 and name HE2 ))
)
5.000 5.000 0.000 peak 6668 weight 0.10000E+01 volume 0.43800E+00 ppm1 0.982 ppm2 2.756
ASSI (
(( segid " " and resid 153 and name HD1 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 6664 weight 0.10000E+01 volume 0.56300E+00 ppm1 1.195 ppm2 0.355
ASSI (
(( segid " " and resid 153 and name HD2 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 6665 weight 0.10000E+01 volume 0.92500E+00 ppm1 0.984 ppm2 0.356
ASSI (
(( segid " " and resid 153 and name HE2 ))
)(
(( segid " " and resid 106 and name HA ))
)
5.000 5.000 0.000 peak 6680 weight 0.10000E+01 volume 0.33900E+00 ppm1 2.752 ppm2 4.390
ASSI (
(( segid " " and resid 153 and name HE2 ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
3.300 3.300 0.000 peak 6687 weight 0.10000E+01 volume 0.18900E+01 ppm1 2.747 ppm2 0.640
ASSI (
(( segid " " and resid 153 and name HE2 ))
)(
(( segid " " and resid 153 and name HE1 ))
)
2.700 2.700 0.000 peak 6677 weight 0.10000E+01 volume 0.76120E+01 ppm1 2.748 ppm2 2.857
ASSI (
(( segid " " and resid 153 and name HE1 ))
)(
(( segid " " and resid 153 and name HG1 ))
)
5.000 5.000 0.000 peak 6673 weight 0.10000E+01 volume 0.68600E+00 ppm1 2.858 ppm2 1.112
ASSI (
(( segid " " and resid 153 and name HE2 ))
)(
(( segid " " and resid 153 and name HG1 ))
)
5.000 5.000 0.000 peak 6683 weight 0.10000E+01 volume 0.88700E+00 ppm1 2.750 ppm2 1.112
ASSI (
(( segid " " and resid 153 and name HE1 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 6670 weight 0.10000E+01 volume 0.58100E+00 ppm1 2.855 ppm2 0.358
ASSI (
(( segid " " and resid 153 and name HE2 ))
)(
(( segid " " and resid 153 and name HG2 ))
)
5.000 5.000 0.000 peak 6685 weight 0.10000E+01 volume 0.74100E+00 ppm1 2.748 ppm2 0.366
ASSI (
(( segid " " and resid 153 and name HG1 ))
)(
(( segid " " and resid 153 and name HD2 ))
)
3.300 3.300 0.000 peak 6645 weight 0.10000E+01 volume 0.16380E+01 ppm1 1.112 ppm2 0.985
ASSI (
(( segid " " and resid 153 and name HG2 ))
)(
(( segid " " and resid 153 and name HG1 ))
)
2.700 2.700 0.000 peak 6653 weight 0.10000E+01 volume 0.40150E+01 ppm1 0.353 ppm2 1.114
ASSI (
(( segid " " and resid 153 and name HG1 ))
)(
(( segid " " and resid 154 and name HD2 ))
)
5.000 5.000 0.000 peak 6648 weight 0.10000E+01 volume 0.46800E+00 ppm1 1.112 ppm2 1.803
ASSI (
(( segid " " and resid 153 and name HG2 ))
)(
(( segid " " and resid 154 and name HD2 ))
)
5.000 5.000 0.000 peak 6654 weight 0.10000E+01 volume 0.69900E+00 ppm1 0.354 ppm2 1.803
ASSI (
(( segid " " and resid 154 and name HA ))
)(
(( segid " " and resid 154 and name HB1 ))
)
5.000 5.000 0.000 peak 6695 weight 0.10000E+01 volume 0.43200E+00 ppm1 4.720 ppm2 1.875
ASSI (
(( segid " " and resid 154 and name HA ))
)(
(( segid " " and resid 154 and name HB2 ))
)
5.000 5.000 0.000 peak 6694 weight 0.10000E+01 volume 0.31800E+00 ppm1 4.724 ppm2 1.424
ASSI (
(( segid " " and resid 154 and name HA ))
)(
(( segid " " and resid 155 and name HN ))
)
5.000 5.000 0.000 peak 6696 weight 0.10000E+01 volume 0.59600E+00 ppm1 4.721 ppm2 7.911
ASSI (
(( segid " " and resid 154 and name HB1 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 6700 weight 0.10000E+01 volume 0.43300E+00 ppm1 1.875 ppm2 0.634
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 6710 weight 0.10000E+01 volume 0.49600E+00 ppm1 1.414 ppm2 0.630
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6709 weight 0.10000E+01 volume 0.92700E+00 ppm1 1.415 ppm2 0.541
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 136 and name HG ))
)
5.000 5.000 0.000 peak 6711 weight 0.10000E+01 volume 0.71600E+00 ppm1 1.413 ppm2 1.147
ASSI (
(( segid " " and resid 154 and name HB1 ))
)(
(( segid " " and resid 137 and name HN ))
)
6.000 6.000 0.000 peak 7414 weight 0.10000E+01 volume 0.23500E+00 ppm1 1.877 ppm2 8.915
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 137 and name HN ))
)
6.000 6.000 0.000 peak 6718 weight 0.10000E+01 volume 0.18300E+00 ppm1 1.416 ppm2 8.931
ASSI (
(( segid " " and resid 154 and name HB1 ))
)(
(( segid " " and resid 138 and name HA1 ))
)
5.000 5.000 0.000 peak 6703 weight 0.10000E+01 volume 0.46200E+00 ppm1 1.872 ppm2 4.549
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 138 and name HA1 ))
)
6.000 6.000 0.000 peak 6715 weight 0.10000E+01 volume 0.18200E+00 ppm1 1.412 ppm2 4.549
ASSI (
(( segid " " and resid 154 and name HB1 ))
)(
(( segid " " and resid 139 and name HN ))
)
5.000 5.000 0.000 peak 6707 weight 0.10000E+01 volume 0.55200E+00 ppm1 1.873 ppm2 8.636
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 139 and name HN ))
)
6.000 6.000 0.000 peak 6717 weight 0.10000E+01 volume 0.23100E+00 ppm1 1.414 ppm2 8.643
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 154 and name HB1 ))
)
2.700 2.700 0.000 peak 6712 weight 0.10000E+01 volume 0.41820E+01 ppm1 1.414 ppm2 1.876
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 154 and name HD1 ))
)
6.000 6.000 0.000 peak 6713 weight 0.10000E+01 volume 0.24200E+00 ppm1 1.415 ppm2 2.892
ASSI (
(( segid " " and resid 154 and name HB1 ))
)(
(( segid " " and resid 154 and name HG1 ))
)
5.000 5.000 0.000 peak 6698 weight 0.10000E+01 volume 0.13180E+01 ppm1 1.875 ppm2 1.488
ASSI (
(( segid " " and resid 154 and name HB1 ))
)(
(( segid " " and resid 154 and name HG2 ))
)
5.000 5.000 0.000 peak 6702 weight 0.10000E+01 volume 0.83800E+00 ppm1 1.873 ppm2 0.376
ASSI (
(( segid " " and resid 154 and name HB2 ))
)(
(( segid " " and resid 154 and name HG2 ))
)
5.000 5.000 0.000 peak 6708 weight 0.10000E+01 volume 0.80000E+00 ppm1 1.414 ppm2 0.377
ASSI (
(( segid " " and resid 154 and name HB1 ))
)(
(( segid " " and resid 155 and name HN ))
)
5.000 5.000 0.000 peak 6706 weight 0.10000E+01 volume 0.75400E+00 ppm1 1.876 ppm2 7.906
ASSI (
(( segid " " and resid 154 and name HD1 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 6737 weight 0.10000E+01 volume 0.22200E+00 ppm1 2.895 ppm2 6.977
ASSI (
(( segid " " and resid 154 and name HD2 ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 6750 weight 0.10000E+01 volume 0.18100E+00 ppm1 1.810 ppm2 6.982
ASSI (
(( segid " " and resid 154 and name HD1 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
5.000 5.000 0.000 peak 6736 weight 0.10000E+01 volume 0.34300E+00 ppm1 2.893 ppm2 7.097
ASSI (
(( segid " " and resid 154 and name HD2 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
6.000 6.000 0.000 peak 6749 weight 0.10000E+01 volume 0.29300E+00 ppm1 1.804 ppm2 7.099
ASSI (
(( segid " " and resid 154 and name HD1 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6742 weight 0.10000E+01 volume 0.36400E+00 ppm1 2.890 ppm2 0.533
ASSI (
(( segid " " and resid 154 and name HD2 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6745 weight 0.10000E+01 volume 0.39500E+00 ppm1 1.805 ppm2 0.527
ASSI (
(( segid " " and resid 154 and name HD1 ))
)(
(( segid " " and resid 153 and name HG1 ))
)
6.000 6.000 0.000 peak 6740 weight 0.10000E+01 volume 0.27700E+00 ppm1 2.890 ppm2 1.113
ASSI (
(( segid " " and resid 154 and name HD1 ))
)(
(( segid " " and resid 154 and name HG1 ))
)
5.000 5.000 0.000 peak 6738 weight 0.10000E+01 volume 0.13790E+01 ppm1 2.894 ppm2 1.490
ASSI (
(( segid " " and resid 154 and name HD2 ))
)(
(( segid " " and resid 154 and name HG1 ))
)
5.000 5.000 0.000 peak 6747 weight 0.10000E+01 volume 0.10280E+01 ppm1 1.804 ppm2 1.489
ASSI (
(( segid " " and resid 154 and name HD1 ))
)(
(( segid " " and resid 154 and name HG2 ))
)
5.000 5.000 0.000 peak 6741 weight 0.10000E+01 volume 0.13140E+01 ppm1 2.890 ppm2 0.370
ASSI (
(( segid " " and resid 154 and name HD2 ))
)(
(( segid " " and resid 154 and name HG2 ))
)
3.300 3.300 0.000 peak 6744 weight 0.10000E+01 volume 0.19240E+01 ppm1 1.803 ppm2 0.370
ASSI (
(( segid " " and resid 154 and name HG2 ))
)(
(( segid " " and resid 128 and name HB1 ))
)
6.000 6.000 0.000 peak 7415 weight 0.10000E+01 volume 0.18100E+00 ppm1 0.376 ppm2 2.741
ASSI (
(( segid " " and resid 154 and name HG1 ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
6.000 6.000 0.000 peak 7418 weight 0.10000E+01 volume 0.21800E+00 ppm1 1.488 ppm2 7.089
ASSI (
(( segid " " and resid 154 and name HG1 ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 6721 weight 0.10000E+01 volume 0.42500E+00 ppm1 1.489 ppm2 0.635
ASSI (
(( segid " " and resid 154 and name HG1 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6720 weight 0.10000E+01 volume 0.10540E+01 ppm1 1.492 ppm2 0.543
ASSI (
(( segid " " and resid 154 and name HG2 ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 6729 weight 0.10000E+01 volume 0.92200E+00 ppm1 0.382 ppm2 0.541
ASSI (
(( segid " " and resid 154 and name HG2 ))
)(
(( segid " " and resid 153 and name HA ))
)
6.000 6.000 0.000 peak 6733 weight 0.10000E+01 volume 0.24500E+00 ppm1 0.380 ppm2 3.437
ASSI (
(( segid " " and resid 154 and name HG1 ))
)(
(( segid " " and resid 154 and name HA ))
)
6.000 6.000 0.000 peak 6727 weight 0.10000E+01 volume 0.12900E+00 ppm1 1.490 ppm2 4.722
ASSI (
(( segid " " and resid 154 and name HG2 ))
)(
(( segid " " and resid 154 and name HA ))
)
6.000 6.000 0.000 peak 7417 weight 0.10000E+01 volume 0.13300E+00 ppm1 0.379 ppm2 4.720
ASSI (
(( segid " " and resid 154 and name HG2 ))
)(
(( segid " " and resid 154 and name HG1 ))
)
2.700 2.700 0.000 peak 6731 weight 0.10000E+01 volume 0.41740E+01 ppm1 0.379 ppm2 1.493
ASSI (
(( segid " " and resid 155 and name HB2 ))
OR
(( segid " " and resid 155 and name HB1 ))
)(
(( segid " " and resid 106 and name HD23))
OR
(( segid " " and resid 106 and name HD22))
OR
(( segid " " and resid 106 and name HD21))
)
6.000 6.000 0.000 peak 6757 weight 0.10000E+01 volume 0.25100E+00 ppm1 3.051 ppm2 0.480
ASSI (
(( segid " " and resid 155 and name HB2 ))
OR
(( segid " " and resid 155 and name HB1 ))
)(
(( segid " " and resid 155 and name HA ))
)
3.300 3.300 0.000 peak 6753 weight 0.10000E+01 volume 0.19680E+01 ppm1 3.051 ppm2 4.715
ASSI (
(( segid " " and resid 155 and name HB2 ))
OR
(( segid " " and resid 155 and name HB1 ))
)(
(( segid " " and resid 155 and name HD2 ))
)
5.000 5.000 0.000 peak 6754 weight 0.10000E+01 volume 0.57000E+00 ppm1 3.051 ppm2 7.058
ASSI (
(( segid " " and resid 155 and name HB2 ))
OR
(( segid " " and resid 155 and name HB1 ))
)(
(( segid " " and resid 155 and name HN ))
)
5.000 5.000 0.000 peak 6755 weight 0.10000E+01 volume 0.37100E+00 ppm1 3.048 ppm2 7.906
ASSI (
(( segid " " and resid 155 and name HD2 ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)
6.000 6.000 0.000 peak 4272 weight 0.10000E+01 volume 0.14600E+00 ppm1 7.056 ppm2 0.798
ASSI (
(( segid " " and resid 155 and name HD2 ))
)(
(( segid " " and resid 157 and name HA ))
)
6.000 6.000 0.000 peak 4313 weight 0.10000E+01 volume 0.10700E+00 ppm1 7.056 ppm2 4.841
ASSI (
(( segid " " and resid 155 and name HD2 ))
)(
(( segid " " and resid 157 and name HB1 ))
)
6.000 6.000 0.000 peak 4273 weight 0.10000E+01 volume 0.22900E+00 ppm1 7.056 ppm2 1.685
ASSI (
(( segid " " and resid 155 and name HD2 ))
)(
(( segid " " and resid 157 and name HB2 ))
)
6.000 6.000 0.000 peak 4315 weight 0.10000E+01 volume 0.10300E+00 ppm1 7.055 ppm2 1.311
ASSI (
(( segid " " and resid 155 and name HD2 ))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
6.000 6.000 0.000 peak 4314 weight 0.10000E+01 volume 0.13600E+00 ppm1 7.055 ppm2 2.450
ASSI (
(( segid " " and resid 155 and name HE1 ))
)(
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)
5.000 5.000 0.000 peak 6307 weight 0.10000E+01 volume 0.47500E+00 ppm1 8.588 ppm2 0.866
ASSI (
(( segid " " and resid 156 and name HA ))
)(
(( segid " " and resid 137 and name HN ))
)
5.000 5.000 0.000 peak 7420 weight 0.10000E+01 volume 0.43000E+00 ppm1 5.065 ppm2 8.930
ASSI (
(( segid " " and resid 156 and name HA ))
)(
(( segid " " and resid 156 and name HB1 ))
)
5.000 5.000 0.000 peak 6758 weight 0.10000E+01 volume 0.77400E+00 ppm1 5.068 ppm2 2.668
ASSI (
(( segid " " and resid 156 and name HA ))
)(
(( segid " " and resid 156 and name HB2 ))
)
5.000 5.000 0.000 peak 6759 weight 0.10000E+01 volume 0.12300E+01 ppm1 5.068 ppm2 2.548
ASSI (
(( segid " " and resid 156 and name HA ))
)(
(( segid " " and resid 157 and name HN ))
)
2.700 2.700 0.000 peak 6766 weight 0.10000E+01 volume 0.37010E+01 ppm1 5.065 ppm2 9.065
ASSI (
(( segid " " and resid 156 and name HB1 ))
)(
(( segid " " and resid 134 and name HB1 ))
)
5.000 5.000 0.000 peak 6769 weight 0.10000E+01 volume 0.34000E+00 ppm1 2.667 ppm2 3.238
ASSI (
(( segid " " and resid 156 and name HB2 ))
)(
(( segid " " and resid 134 and name HB1 ))
)
5.000 5.000 0.000 peak 6779 weight 0.10000E+01 volume 0.52500E+00 ppm1 2.543 ppm2 3.239
ASSI (
(( segid " " and resid 156 and name HB1 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6772 weight 0.10000E+01 volume 0.38500E+00 ppm1 2.668 ppm2 6.809
ASSI (
(( segid " " and resid 156 and name HB2 ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6777 weight 0.10000E+01 volume 0.48300E+00 ppm1 2.547 ppm2 6.809
ASSI (
(( segid " " and resid 156 and name HB1 ))
)(
(( segid " " and resid 156 and name HB2 ))
)
2.700 2.700 0.000 peak 6783 weight 0.10000E+01 volume 0.60230E+01 ppm1 2.666 ppm2 2.548
ASSI (
(( segid " " and resid 156 and name HB2 ))
)(
(( segid " " and resid 156 and name HN ))
)
5.000 5.000 0.000 peak 6775 weight 0.10000E+01 volume 0.60600E+00 ppm1 2.549 ppm2 9.331
ASSI (
(( segid " " and resid 156 and name HB1 ))
)(
(( segid " " and resid 157 and name HN ))
)
6.000 6.000 0.000 peak 6773 weight 0.10000E+01 volume 0.20100E+00 ppm1 2.664 ppm2 9.065
ASSI (
(( segid " " and resid 157 and name HA ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 6791 weight 0.10000E+01 volume 0.48800E+00 ppm1 4.841 ppm2 6.815
ASSI (
(( segid " " and resid 157 and name HA ))
)(
(( segid " " and resid 157 and name HB1 ))
)
3.300 3.300 0.000 peak 6786 weight 0.10000E+01 volume 0.15080E+01 ppm1 4.841 ppm2 1.686
ASSI (
(( segid " " and resid 157 and name HA ))
)(
(( segid " " and resid 157 and name HB2 ))
)
5.000 5.000 0.000 peak 6787 weight 0.10000E+01 volume 0.88300E+00 ppm1 4.842 ppm2 1.310
ASSI (
(( segid " " and resid 157 and name HA ))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
5.000 5.000 0.000 peak 6784 weight 0.10000E+01 volume 0.11370E+01 ppm1 4.843 ppm2 2.451
ASSI (
(( segid " " and resid 157 and name HA ))
)(
(( segid " " and resid 157 and name HN ))
)
5.000 5.000 0.000 peak 6788 weight 0.10000E+01 volume 0.65600E+00 ppm1 4.841 ppm2 9.067
ASSI (
(( segid " " and resid 157 and name HA ))
)(
(( segid " " and resid 158 and name HB ))
)
5.000 5.000 0.000 peak 6785 weight 0.10000E+01 volume 0.35600E+00 ppm1 4.841 ppm2 1.865
ASSI (
(( segid " " and resid 157 and name HA ))
)(
(( segid " " and resid 158 and name HN ))
)
2.700 2.700 0.000 peak 6789 weight 0.10000E+01 volume 0.54010E+01 ppm1 4.843 ppm2 8.583
ASSI (
(( segid " " and resid 157 and name HB2 ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)
5.000 5.000 0.000 peak 6804 weight 0.10000E+01 volume 0.91700E+00 ppm1 1.307 ppm2 0.801
ASSI (
(( segid " " and resid 157 and name HB2 ))
)(
(( segid " " and resid 157 and name HB1 ))
)
2.700 2.700 0.000 peak 6803 weight 0.10000E+01 volume 0.54770E+01 ppm1 1.307 ppm2 1.685
ASSI (
(( segid " " and resid 157 and name HB1 ))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
5.000 5.000 0.000 peak 6793 weight 0.10000E+01 volume 0.52700E+00 ppm1 1.682 ppm2 2.452
ASSI (
(( segid " " and resid 157 and name HB2 ))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
5.000 5.000 0.000 peak 6802 weight 0.10000E+01 volume 0.36900E+00 ppm1 1.309 ppm2 2.452
ASSI (
(( segid " " and resid 157 and name HB1 ))
)(
(( segid " " and resid 157 and name HN ))
)
5.000 5.000 0.000 peak 6798 weight 0.10000E+01 volume 0.54500E+00 ppm1 1.680 ppm2 9.066
ASSI (
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)(
(( segid " " and resid 157 and name HE21))
)
5.000 5.000 0.000 peak 6811 weight 0.10000E+01 volume 0.33300E+00 ppm1 2.451 ppm2 7.726
ASSI (
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)(
(( segid " " and resid 158 and name HN ))
)
5.000 5.000 0.000 peak 6810 weight 0.10000E+01 volume 0.70800E+00 ppm1 2.452 ppm2 8.574
ASSI (
(( segid " " and resid 158 and name HA ))
)(
(( segid " " and resid 157 and name HA ))
)
6.000 6.000 0.000 peak 6816 weight 0.10000E+01 volume 0.17300E+00 ppm1 3.452 ppm2 4.835
ASSI (
(( segid " " and resid 158 and name HA ))
)(
(( segid " " and resid 158 and name HB ))
)
5.000 5.000 0.000 peak 6812 weight 0.10000E+01 volume 0.13660E+01 ppm1 3.452 ppm2 1.860
ASSI (
(( segid " " and resid 158 and name HA ))
)(
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)
5.000 5.000 0.000 peak 6813 weight 0.10000E+01 volume 0.66100E+00 ppm1 3.451 ppm2 0.852
ASSI (
(( segid " " and resid 158 and name HA ))
)(
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
)
3.300 3.300 0.000 peak 6814 weight 0.10000E+01 volume 0.15240E+01 ppm1 3.451 ppm2 0.770
ASSI (
(( segid " " and resid 158 and name HA ))
)(
(( segid " " and resid 158 and name HN ))
)
5.000 5.000 0.000 peak 6820 weight 0.10000E+01 volume 0.96000E+00 ppm1 3.454 ppm2 8.584
ASSI (
(( segid " " and resid 158 and name HA ))
)(
(( segid " " and resid 159 and name HN ))
)
2.700 2.700 0.000 peak 6819 weight 0.10000E+01 volume 0.39200E+01 ppm1 3.453 ppm2 7.941
ASSI (
(( segid " " and resid 158 and name HB ))
)(
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)
5.000 5.000 0.000 peak 6827 weight 0.10000E+01 volume 0.35800E+00 ppm1 1.857 ppm2 7.275
ASSI (
(( segid " " and resid 158 and name HB ))
)(
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)
3.300 3.300 0.000 peak 6822 weight 0.10000E+01 volume 0.21630E+01 ppm1 1.860 ppm2 0.848
ASSI (
(( segid " " and resid 158 and name HB ))
)(
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
)
3.300 3.300 0.000 peak 6823 weight 0.10000E+01 volume 0.25980E+01 ppm1 1.859 ppm2 0.770
ASSI (
(( segid " " and resid 158 and name HB ))
)(
(( segid " " and resid 159 and name HN ))
)
5.000 5.000 0.000 peak 6828 weight 0.10000E+01 volume 0.34500E+00 ppm1 1.864 ppm2 7.936
ASSI (
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)(
(( segid " " and resid 157 and name HA ))
)
5.000 5.000 0.000 peak 6835 weight 0.10000E+01 volume 0.32000E+00 ppm1 0.843 ppm2 4.842
ASSI (
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)(
(( segid " " and resid 157 and name HE21))
)
6.000 6.000 0.000 peak 2996 weight 0.10000E+01 volume 0.14600E+00 ppm1 0.845 ppm2 7.724
ASSI (
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
5.000 5.000 0.000 peak 6832 weight 0.10000E+01 volume 0.32400E+00 ppm1 0.841 ppm2 2.452
ASSI (
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
)(
(( segid " " and resid 158 and name HN ))
)
3.300 3.300 0.000 peak 6834 weight 0.10000E+01 volume 0.17210E+01 ppm1 0.845 ppm2 8.585
ASSI (
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
)(
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)
5.000 5.000 0.000 peak 6839 weight 0.10000E+01 volume 0.36100E+00 ppm1 0.770 ppm2 7.273
ASSI (
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
)(
(( segid " " and resid 158 and name HN ))
)
5.000 5.000 0.000 peak 6841 weight 0.10000E+01 volume 0.71500E+00 ppm1 0.771 ppm2 8.583
ASSI (
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
)(
(( segid " " and resid 159 and name HN ))
)
5.000 5.000 0.000 peak 6840 weight 0.10000E+01 volume 0.83100E+00 ppm1 0.770 ppm2 7.936
ASSI (
(( segid " " and resid 159 and name HA ))
)(
(( segid " " and resid 159 and name HB1 ))
)
3.300 3.300 0.000 peak 6842 weight 0.10000E+01 volume 0.21080E+01 ppm1 4.332 ppm2 2.770
ASSI (
(( segid " " and resid 159 and name HA ))
)(
(( segid " " and resid 159 and name HB2 ))
)
5.000 5.000 0.000 peak 6843 weight 0.10000E+01 volume 0.94400E+00 ppm1 4.336 ppm2 2.596
ASSI (
(( segid " " and resid 159 and name HA ))
)(
(( segid " " and resid 159 and name HN ))
)
5.000 5.000 0.000 peak 6844 weight 0.10000E+01 volume 0.94100E+00 ppm1 4.334 ppm2 7.931
ASSI (
(( segid " " and resid 159 and name HB2 ))
)(
(( segid " " and resid 159 and name HB1 ))
)
2.700 2.700 0.000 peak 6846 weight 0.10000E+01 volume 0.10592E+02 ppm1 2.593 ppm2 2.766
ASSI (
(( segid " " and resid 159 and name HB1 ))
)(
(( segid " " and resid 159 and name HD21))
)
5.000 5.000 0.000 peak 6852 weight 0.10000E+01 volume 0.92700E+00 ppm1 2.763 ppm2 7.511
ASSI (
(( segid " " and resid 159 and name HB2 ))
)(
(( segid " " and resid 159 and name HD21))
)
5.000 5.000 0.000 peak 6850 weight 0.10000E+01 volume 0.98600E+00 ppm1 2.593 ppm2 7.510
ASSI (
(( segid " " and resid 159 and name HB1 ))
)(
(( segid " " and resid 159 and name HD22))
)
5.000 5.000 0.000 peak 6851 weight 0.10000E+01 volume 0.47100E+00 ppm1 2.764 ppm2 6.622
ASSI (
(( segid " " and resid 159 and name HB2 ))
)(
(( segid " " and resid 159 and name HD22))
)
5.000 5.000 0.000 peak 6848 weight 0.10000E+01 volume 0.53300E+00 ppm1 2.597 ppm2 6.621
ASSI (
(( segid " " and resid 159 and name HB1 ))
)(
(( segid " " and resid 159 and name HN ))
)
5.000 5.000 0.000 peak 6853 weight 0.10000E+01 volume 0.95200E+00 ppm1 2.765 ppm2 7.939
ASSI (
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 100 and name HB1 ))
)(
(( segid " " and resid 149 and name HE1 ))
)
5.000 5.000 0.000 peak 6958 weight 0.10000E+01 volume 0.36500E+00 ppm1 4.023 ppm2 10.091
ASSI (
(( segid " " and resid 103 and name HB1 ))
)(
(( segid " " and resid 149 and name HE1 ))
)
5.000 5.000 0.000 peak 3313 weight 0.10000E+01 volume 0.37300E+00 ppm1 2.437 ppm2 10.091
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 149 and name HE1 ))
)
6.000 6.000 0.000 peak 3718 weight 0.10000E+01 volume 0.27800E+00 ppm1 2.223 ppm2 10.091
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 113 and name HB2 ))
)
5.000 5.000 0.000 peak 3574 weight 0.10000E+01 volume 0.40300E+00 ppm1 9.187 ppm2 1.320
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 113 and name HG ))
)
5.000 5.000 0.000 peak 3573 weight 0.10000E+01 volume 0.44500E+00 ppm1 9.186 ppm2 1.475
ASSI (
(( segid " " and resid 115 and name HN ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 3584 weight 0.10000E+01 volume 0.47500E+00 ppm1 8.430 ppm2 7.901
ASSI (
(( segid " " and resid 116 and name HN ))
)(
(( segid " " and resid 124 and name HA ))
OR
(( segid " " and resid 120 and name HA ))
)
5.000 5.000 0.000 peak 3590 weight 0.10000E+01 volume -0.45200E+00 ppm1 7.902 ppm2 4.347
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 3606 weight 0.10000E+01 volume 0.53800E+00 ppm1 8.178 ppm2 7.900
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 120 and name HN ))
)
3.300 3.300 0.000 peak 3607 weight 0.10000E+01 volume 0.15150E+01 ppm1 8.184 ppm2 8.332
ASSI (
(( segid " " and resid 118 and name HN ))
)(
(( segid " " and resid 118 and name HG ))
OR
(( segid " " and resid 118 and name HB2 ))
)
6.000 6.000 0.000 peak 3343 weight 0.10000E+01 volume 0.29000E+00 ppm1 8.167 ppm2 1.394
ASSI (
(( segid " " and resid 120 and name HN ))
)(
(( segid " " and resid 119 and name HG2 ))
)
5.000 5.000 0.000 peak 3400 weight 0.10000E+01 volume 0.39300E+00 ppm1 8.315 ppm2 1.780
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 120 and name HB3 ))
OR
(( segid " " and resid 120 and name HB2 ))
OR
(( segid " " and resid 120 and name HB1 ))
)
5.000 5.000 0.000 peak 3631 weight 0.10000E+01 volume 0.12050E+01 ppm1 7.513 ppm2 1.475
ASSI (
(( segid " " and resid 124 and name HN ))
)(
(( segid " " and resid 144 and name HB1 ))
)
5.000 5.000 0.000 peak 3649 weight 0.10000E+01 volume 0.13700E+01 ppm1 8.252 ppm2 2.539
ASSI (
(( segid " " and resid 124 and name HN ))
)(
(( segid " " and resid 146 and name HA ))
OR
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
OR
(( segid " " and resid 116 and name HA2 ))
OR
(( segid " " and resid 116 and name HA1 ))
)
6.000 6.000 0.000 peak 3647 weight 0.10000E+01 volume 0.29500E+00 ppm1 8.253 ppm2 3.801
ASSI (
(( segid " " and resid 124 and name HN ))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 114 and name HB ))
)
5.000 5.000 0.000 peak 3646 weight 0.10000E+01 volume 0.49500E+00 ppm1 8.255 ppm2 4.067
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 127 and name HG2 ))
OR
(( segid " " and resid 127 and name HB1 ))
)
5.000 5.000 0.000 peak 3713 weight 0.10000E+01 volume 0.70200E+00 ppm1 8.784 ppm2 2.084
ASSI (
(( segid " " and resid 148 and name HN ))
)(
(( segid " " and resid 145 and name HN ))
)
5.000 5.000 0.000 peak 204 weight 0.10000E+01 volume 0.46800E+00 ppm1 7.500 ppm2 8.418
ASSI (
(( segid " " and resid 149 and name HE1 ))
)(
(( segid " " and resid 99 and name HB2 ))
)
5.000 5.000 0.000 peak 2527 weight 0.10000E+01 volume -0.43500E+00 ppm1 10.091 ppm2 1.993
ASSI (
(( segid " " and resid 149 and name HE1 ))
)(
(( segid " " and resid 103 and name HB1 ))
OR
(( segid " " and resid 99 and name HB1 ))
)
3.300 3.300 0.000 peak 2526 weight 0.10000E+01 volume -0.21250E+01 ppm1 10.090 ppm2 2.452
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 97 and name HN ))
OR
(( segid " " and resid 95 and name HN ))
)
5.000 5.000 0.000 peak 3802 weight 0.10000E+01 volume 0.82100E+00 ppm1 7.894 ppm2 8.169
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 149 and name HD1 ))
OR
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
6.000 6.000 0.000 peak 3474 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.739 ppm2 6.440
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 105 and name HA ))
OR
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 101 and name HA ))
)
5.000 5.000 0.000 peak 3491 weight 0.10000E+01 volume 0.83500E+00 ppm1 7.334 ppm2 4.281
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 106 and name HB2 ))
OR
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
6.000 6.000 0.000 peak 3410 weight 0.10000E+01 volume 0.21400E+00 ppm1 7.288 ppm2 0.899
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 107 and name HB2 ))
OR
(( segid " " and resid 107 and name HB1 ))
)
5.000 5.000 0.000 peak 3516 weight 0.10000E+01 volume 0.77100E+00 ppm1 8.944 ppm2 1.794
ASSI (
(( segid " " and resid 108 and name HD21))
)(
(( segid " " and resid 107 and name HB2 ))
OR
(( segid " " and resid 107 and name HB1 ))
)
6.000 6.000 0.000 peak 3001 weight 0.10000E+01 volume 0.17100E+00 ppm1 7.443 ppm2 1.799
ASSI (
(( segid " " and resid 108 and name HD22))
)(
(( segid " " and resid 107 and name HB2 ))
OR
(( segid " " and resid 107 and name HB1 ))
)
6.000 6.000 0.000 peak 3210 weight 0.10000E+01 volume 0.13900E+00 ppm1 6.809 ppm2 1.798
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 129 and name HB1 ))
OR
(( segid " " and resid 127 and name HB2 ))
OR
(( segid " " and resid 107 and name HB1 ))
)
6.000 6.000 0.000 peak 3364 weight 0.10000E+01 volume 0.29000E+00 ppm1 9.004 ppm2 1.880
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 130 and name HA ))
OR
(( segid " " and resid 128 and name HA ))
)
5.000 5.000 0.000 peak 3362 weight 0.10000E+01 volume 0.82200E+00 ppm1 9.007 ppm2 5.032
ASSI (
(( segid " " and resid 129 and name HN ))
)(
(( segid " " and resid 129 and name HE ))
OR
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
OR
(( segid " " and resid 112 and name HE2 ))
OR
(( segid " " and resid 112 and name HE1 ))
OR
(( segid " " and resid 112 and name HD2 ))
OR
(( segid " " and resid 112 and name HD1 ))
)
6.000 6.000 0.000 peak 3719 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.599 ppm2 7.144
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 136 and name HB1 ))
OR
(( segid " " and resid 129 and name HG1 ))
OR
(( segid " " and resid 129 and name HB2 ))
)
5.000 5.000 0.000 peak 3729 weight 0.10000E+01 volume 0.76500E+00 ppm1 8.989 ppm2 1.732
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 132 and name HD1 ))
OR
(( segid " " and resid 109 and name HA2 ))
)
5.000 5.000 0.000 peak 3738 weight 0.10000E+01 volume 0.11610E+01 ppm1 8.983 ppm2 3.868
ASSI (
(( segid " " and resid 133 and name HN ))
)(
(( segid " " and resid 132 and name HB1 ))
OR
(( segid " " and resid 131 and name HB2 ))
)
5.000 5.000 0.000 peak 3752 weight 0.10000E+01 volume 0.54600E+00 ppm1 8.560 ppm2 2.398
ASSI (
(( segid " " and resid 134 and name HN ))
)(
(( segid " " and resid 134 and name HZ ))
OR
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)
6.000 6.000 0.000 peak 3339 weight 0.10000E+01 volume 0.77000E-01 ppm1 8.326 ppm2 7.249
ASSI (
(( segid " " and resid 137 and name HN ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
OR
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 175 weight 0.10000E+01 volume -0.42300E+00 ppm1 8.923 ppm2 0.575
ASSI (
(( segid " " and resid 139 and name HN ))
)(
(( segid " " and resid 154 and name HG1 ))
OR
(( segid " " and resid 154 and name HB2 ))
OR
(( segid " " and resid 151 and name HG23))
)
5.000 5.000 0.000 peak 3799 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.629 ppm2 1.449
ASSI (
(( segid " " and resid 139 and name HN ))
)(
(( segid " " and resid 153 and name HN ))
OR
(( segid " " and resid 138 and name HN ))
)
6.000 6.000 0.000 peak 3794 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.628 ppm2 8.370
ASSI (
(( segid " " and resid 139 and name HN ))
)(
(( segid " " and resid 137 and name HN ))
)
6.000 6.000 0.000 peak 3793 weight 0.10000E+01 volume 0.18500E+00 ppm1 8.629 ppm2 8.898
ASSI (
(( segid " " and resid 141 and name HN ))
)(
(( segid " " and resid 140 and name HB2 ))
OR
(( segid " " and resid 139 and name HB2 ))
)
5.000 5.000 0.000 peak 120 weight 0.10000E+01 volume 0.48600E+00 ppm1 7.658 ppm2 3.932
ASSI (
(( segid " " and resid 145 and name HN ))
)(
(( segid " " and resid 148 and name HB1 ))
OR
(( segid " " and resid 146 and name HB2 ))
OR
(( segid " " and resid 143 and name HB ))
OR
(( segid " " and resid 99 and name HB2 ))
)
6.000 6.000 0.000 peak 178 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.395 ppm2 2.016
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 153 and name HN ))
OR
(( segid " " and resid 149 and name HN ))
OR
(( segid " " and resid 145 and name HN ))
OR
(( segid " " and resid 123 and name HN ))
OR
(( segid " " and resid 100 and name HN ))
)
6.000 6.000 0.000 peak 231 weight 0.10000E+01 volume 0.16600E+00 ppm1 9.242 ppm2 8.383
ASSI (
(( segid " " and resid 156 and name HN ))
)(
(( segid " " and resid 153 and name HG1 ))
OR
(( segid " " and resid 108 and name HB2 ))
OR
(( segid " " and resid 106 and name HG ))
)
6.000 6.000 0.000 peak 2490 weight 0.10000E+01 volume 0.15900E+00 ppm1 9.307 ppm2 1.095
ASSI (
(( segid " " and resid 157 and name HE21))
)(
(( segid " " and resid 158 and name HG23))
OR
(( segid " " and resid 158 and name HG22))
OR
(( segid " " and resid 158 and name HG21))
OR
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
OR
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
OR
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)
6.000 6.000 0.000 peak 2550 weight 0.10000E+01 volume 0.13400E+00 ppm1 7.726 ppm2 0.822
ASSI (
(( segid " " and resid 157 and name HE22))
)(
(( segid " " and resid 158 and name HG13))
OR
(( segid " " and resid 158 and name HG12))
OR
(( segid " " and resid 158 and name HG11))
OR
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
OR
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)
6.000 6.000 0.000 peak 3000 weight 0.10000E+01 volume 0.18500E+00 ppm1 6.921 ppm2 0.835
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
OR
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)
5.000 5.000 0.000 peak 3804 weight 0.10000E+01 volume 0.81700E+00 ppm1 8.221 ppm2 0.863
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 3438 weight 0.10000E+01 volume 0.97300E+00 ppm1 8.215 ppm2 7.896
ASSI (
(( segid " " and resid 98 and name HN ))
)(
(( segid " " and resid 98 and name HA ))
)
2.700 2.700 0.000 peak 3447 weight 0.10000E+01 volume 0.37750E+01 ppm1 7.986 ppm2 4.353
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 98 and name HG23))
OR
(( segid " " and resid 98 and name HG22))
OR
(( segid " " and resid 98 and name HG21))
)
5.000 5.000 0.000 peak 3453 weight 0.10000E+01 volume 0.80300E+00 ppm1 8.264 ppm2 0.876
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 147 and name HA2 ))
)
5.000 5.000 0.000 peak 3451 weight 0.10000E+01 volume 0.71500E+00 ppm1 8.265 ppm2 3.198
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 99 and name HA ))
)
2.700 2.700 0.000 peak 3397 weight 0.10000E+01 volume 0.58100E+01 ppm1 8.353 ppm2 3.516
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 99 and name HB1 ))
)
5.000 5.000 0.000 peak 3463 weight 0.10000E+01 volume 0.40500E+00 ppm1 8.355 ppm2 2.457
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 100 and name HA ))
)
2.700 2.700 0.000 peak 3461 weight 0.10000E+01 volume 0.36900E+01 ppm1 8.351 ppm2 4.373
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 149 and name HD1 ))
)
5.000 5.000 0.000 peak 3462 weight 0.10000E+01 volume 0.80800E+00 ppm1 8.352 ppm2 6.428
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 149 and name HE1 ))
)
5.000 5.000 0.000 peak 3328 weight 0.10000E+01 volume 0.58000E+00 ppm1 8.352 ppm2 10.093
ASSI (
(( segid " " and resid 101 and name HN ))
)(
(( segid " " and resid 101 and name HA ))
)
3.300 3.300 0.000 peak 3331 weight 0.10000E+01 volume 0.17170E+01 ppm1 9.033 ppm2 4.255
ASSI (
(( segid " " and resid 101 and name HN ))
)(
(( segid " " and resid 101 and name HB2 ))
)
3.300 3.300 0.000 peak 3430 weight 0.10000E+01 volume 0.18220E+01 ppm1 9.029 ppm2 1.971
ASSI (
(( segid " " and resid 111 and name HN ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)
3.300 3.300 0.000 peak 3534 weight 0.10000E+01 volume 0.29550E+01 ppm1 7.793 ppm2 1.517
ASSI (
(( segid " " and resid 111 and name HN ))
)(
(( segid " " and resid 111 and name HB ))
)
2.700 2.700 0.000 peak 3536 weight 0.10000E+01 volume 0.37200E+01 ppm1 7.789 ppm2 1.612
ASSI (
(( segid " " and resid 111 and name HN ))
)(
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)
3.300 3.300 0.000 peak 3538 weight 0.10000E+01 volume 0.20450E+01 ppm1 7.793 ppm2 0.738
ASSI (
(( segid " " and resid 111 and name HN ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
5.000 5.000 0.000 peak 3540 weight 0.10000E+01 volume 0.75000E+00 ppm1 7.797 ppm2 0.609
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 111 and name HA ))
)
2.700 2.700 0.000 peak 3414 weight 0.10000E+01 volume 0.54400E+01 ppm1 8.884 ppm2 4.570
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
3.300 3.300 0.000 peak 3417 weight 0.10000E+01 volume 0.16050E+01 ppm1 8.885 ppm2 0.610
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 112 and name HA ))
)
5.000 5.000 0.000 peak 3413 weight 0.10000E+01 volume 0.77200E+00 ppm1 8.891 ppm2 4.744
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 112 and name HB2 ))
)
3.300 3.300 0.000 peak 3416 weight 0.10000E+01 volume 0.15330E+01 ppm1 8.884 ppm2 2.885
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 112 and name HD2 ))
OR
(( segid " " and resid 112 and name HD1 ))
)
5.000 5.000 0.000 peak 3375 weight 0.10000E+01 volume 0.81000E+00 ppm1 8.883 ppm2 7.144
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 127 and name HN ))
)
5.000 5.000 0.000 peak 3376 weight 0.10000E+01 volume 0.11970E+01 ppm1 8.884 ppm2 8.262
ASSI (
(( segid " " and resid 113 and name HN ))
)(
(( segid " " and resid 112 and name HA ))
)
2.700 2.700 0.000 peak 3325 weight 0.10000E+01 volume -0.65550E+01 ppm1 8.691 ppm2 4.750
ASSI (
(( segid " " and resid 113 and name HN ))
)(
(( segid " " and resid 112 and name HB1 ))
)
5.000 5.000 0.000 peak 3504 weight 0.10000E+01 volume -0.57200E+00 ppm1 8.691 ppm2 3.041
ASSI (
(( segid " " and resid 113 and name HN ))
)(
(( segid " " and resid 112 and name HB2 ))
)
6.000 6.000 0.000 peak 3505 weight 0.10000E+01 volume -0.28000E+00 ppm1 8.695 ppm2 2.869
ASSI (
(( segid " " and resid 113 and name HN ))
)(
(( segid " " and resid 113 and name HA ))
)
5.000 5.000 0.000 peak 3309 weight 0.10000E+01 volume -0.80000E+00 ppm1 8.698 ppm2 5.130
ASSI (
(( segid " " and resid 113 and name HN ))
)(
(( segid " " and resid 113 and name HB2 ))
)
3.300 3.300 0.000 peak 3507 weight 0.10000E+01 volume -0.18470E+01 ppm1 8.694 ppm2 1.307
ASSI (
(( segid " " and resid 113 and name HN ))
)(
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
OR
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
)
5.000 5.000 0.000 peak 3508 weight 0.10000E+01 volume -0.78000E+00 ppm1 8.697 ppm2 0.911
ASSI (
(( segid " " and resid 113 and name HN ))
)(
(( segid " " and resid 114 and name HA ))
)
5.000 5.000 0.000 peak 3388 weight 0.10000E+01 volume -0.99000E+00 ppm1 8.699 ppm2 4.634
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 113 and name HD23))
OR
(( segid " " and resid 113 and name HD22))
OR
(( segid " " and resid 113 and name HD21))
OR
(( segid " " and resid 113 and name HD13))
OR
(( segid " " and resid 113 and name HD12))
OR
(( segid " " and resid 113 and name HD11))
)
5.000 5.000 0.000 peak 3576 weight 0.10000E+01 volume 0.12730E+01 ppm1 9.185 ppm2 0.888
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 115 and name HN ))
)
6.000 6.000 0.000 peak 3570 weight 0.10000E+01 volume 0.19200E+00 ppm1 9.192 ppm2 8.429
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 3327 weight 0.10000E+01 volume 0.65800E+00 ppm1 9.188 ppm2 8.707
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 126 and name HA ))
)
5.000 5.000 0.000 peak 3571 weight 0.10000E+01 volume 0.47200E+00 ppm1 9.188 ppm2 5.291
ASSI (
(( segid " " and resid 115 and name HN ))
)(
(( segid " " and resid 114 and name HA ))
)
5.000 5.000 0.000 peak 3585 weight 0.10000E+01 volume 0.13350E+01 ppm1 8.430 ppm2 4.639
ASSI (
(( segid " " and resid 115 and name HN ))
)(
(( segid " " and resid 115 and name HA2 ))
)
3.300 3.300 0.000 peak 3586 weight 0.10000E+01 volume 0.27150E+01 ppm1 8.431 ppm2 3.875
ASSI (
(( segid " " and resid 116 and name HN ))
)(
(( segid " " and resid 116 and name HA2 ))
OR
(( segid " " and resid 116 and name HA1 ))
)
3.300 3.300 0.000 peak 3588 weight 0.10000E+01 volume -0.20620E+01 ppm1 7.904 ppm2 3.830
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 116 and name HA2 ))
OR
(( segid " " and resid 116 and name HA1 ))
)
2.700 2.700 0.000 peak 3603 weight 0.10000E+01 volume 0.31480E+01 ppm1 8.179 ppm2 3.811
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 117 and name HB1 ))
)
5.000 5.000 0.000 peak 3605 weight 0.10000E+01 volume 0.49800E+00 ppm1 8.179 ppm2 2.732
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 117 and name HB2 ))
)
5.000 5.000 0.000 peak 3604 weight 0.10000E+01 volume 0.10550E+01 ppm1 8.175 ppm2 2.531
ASSI (
(( segid " " and resid 118 and name HN ))
)(
(( segid " " and resid 118 and name HA ))
)
5.000 5.000 0.000 peak 3341 weight 0.10000E+01 volume 0.68800E+00 ppm1 8.172 ppm2 4.191
ASSI (
(( segid " " and resid 118 and name HN ))
)(
(( segid " " and resid 118 and name HB1 ))
)
2.700 2.700 0.000 peak 3342 weight 0.10000E+01 volume 0.36520E+01 ppm1 8.171 ppm2 1.657
ASSI (
(( segid " " and resid 120 and name HN ))
)(
(( segid " " and resid 119 and name HD1 ))
)
5.000 5.000 0.000 peak 3398 weight 0.10000E+01 volume 0.46000E+00 ppm1 8.313 ppm2 3.652
ASSI (
(( segid " " and resid 120 and name HN ))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 3403 weight 0.10000E+01 volume 0.86800E+00 ppm1 8.315 ppm2 8.188
ASSI (
(( segid " " and resid 121 and name HN ))
)(
(( segid " " and resid 121 and name HD13))
OR
(( segid " " and resid 121 and name HD12))
OR
(( segid " " and resid 121 and name HD11))
)
6.000 6.000 0.000 peak 3609 weight 0.10000E+01 volume 0.21500E+00 ppm1 8.202 ppm2 0.896
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 121 and name HN ))
)
3.300 3.300 0.000 peak 3627 weight 0.10000E+01 volume 0.20070E+01 ppm1 7.518 ppm2 8.198
ASSI (
(( segid " " and resid 123 and name HN ))
)(
(( segid " " and resid 122 and name HB2 ))
OR
(( segid " " and resid 122 and name HB1 ))
)
5.000 5.000 0.000 peak 3634 weight 0.10000E+01 volume 0.12300E+01 ppm1 8.408 ppm2 2.540
ASSI (
(( segid " " and resid 123 and name HN ))
)(
(( segid " " and resid 124 and name HN ))
)
3.300 3.300 0.000 peak 3315 weight 0.10000E+01 volume 0.23520E+01 ppm1 8.406 ppm2 8.259
ASSI (
(( segid " " and resid 124 and name HN ))
)(
(( segid " " and resid 123 and name HA1 ))
)
5.000 5.000 0.000 peak 3645 weight 0.10000E+01 volume 0.38500E+00 ppm1 8.257 ppm2 4.212
ASSI (
(( segid " " and resid 124 and name HN ))
)(
(( segid " " and resid 123 and name HA2 ))
)
5.000 5.000 0.000 peak 3648 weight 0.10000E+01 volume 0.38500E+00 ppm1 8.251 ppm2 3.702
ASSI (
(( segid " " and resid 124 and name HN ))
)(
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)
2.700 2.700 0.000 peak 3650 weight 0.10000E+01 volume 0.35400E+01 ppm1 8.256 ppm2 1.334
ASSI (
(( segid " " and resid 125 and name HN ))
)(
(( segid " " and resid 124 and name HB3 ))
OR
(( segid " " and resid 124 and name HB2 ))
OR
(( segid " " and resid 124 and name HB1 ))
)
3.300 3.300 0.000 peak 3657 weight 0.10000E+01 volume 0.15250E+01 ppm1 8.703 ppm2 1.334
ASSI (
(( segid " " and resid 125 and name HN ))
)(
(( segid " " and resid 125 and name HB1 ))
)
5.000 5.000 0.000 peak 3655 weight 0.10000E+01 volume 0.55500E+00 ppm1 8.702 ppm2 1.894
ASSI (
(( segid " " and resid 125 and name HN ))
)(
(( segid " " and resid 125 and name HG2 ))
)
6.000 6.000 0.000 peak 3656 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.705 ppm2 1.641
ASSI (
(( segid " " and resid 126 and name HN ))
)(
(( segid " " and resid 125 and name HB1 ))
)
5.000 5.000 0.000 peak 3664 weight 0.10000E+01 volume 0.59800E+00 ppm1 8.894 ppm2 1.882
ASSI (
(( segid " " and resid 126 and name HN ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
5.000 5.000 0.000 peak 3666 weight 0.10000E+01 volume 0.71500E+00 ppm1 8.889 ppm2 0.495
ASSI (
(( segid " " and resid 126 and name HN ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
3.300 3.300 0.000 peak 3667 weight 0.10000E+01 volume 0.22670E+01 ppm1 8.889 ppm2 0.350
ASSI (
(( segid " " and resid 126 and name HN ))
)(
(( segid " " and resid 142 and name HN ))
)
5.000 5.000 0.000 peak 3358 weight 0.10000E+01 volume 0.14330E+01 ppm1 8.892 ppm2 8.580
ASSI (
(( segid " " and resid 126 and name HN ))
)(
(( segid " " and resid 149 and name HZ3 ))
)
5.000 5.000 0.000 peak 3359 weight 0.10000E+01 volume 0.71200E+00 ppm1 8.895 ppm2 6.821
ASSI (
(( segid " " and resid 127 and name HN ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
5.000 5.000 0.000 peak 3691 weight 0.10000E+01 volume 0.34300E+00 ppm1 8.259 ppm2 0.611
ASSI (
(( segid " " and resid 127 and name HN ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
5.000 5.000 0.000 peak 3692 weight 0.10000E+01 volume 0.42800E+00 ppm1 8.267 ppm2 0.491
ASSI (
(( segid " " and resid 127 and name HN ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
5.000 5.000 0.000 peak 3694 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.261 ppm2 0.341
ASSI (
(( segid " " and resid 127 and name HN ))
)(
(( segid " " and resid 112 and name HN ))
)
5.000 5.000 0.000 peak 3676 weight 0.10000E+01 volume 0.92000E+00 ppm1 8.261 ppm2 8.889
ASSI (
(( segid " " and resid 127 and name HN ))
)(
(( segid " " and resid 127 and name HA ))
)
5.000 5.000 0.000 peak 3679 weight 0.10000E+01 volume 0.13670E+01 ppm1 8.266 ppm2 5.126
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 127 and name HA ))
)
2.700 2.700 0.000 peak 3703 weight 0.10000E+01 volume 0.73100E+01 ppm1 8.776 ppm2 5.118
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 127 and name HB2 ))
)
6.000 6.000 0.000 peak 3715 weight 0.10000E+01 volume 0.25000E+00 ppm1 8.779 ppm2 1.881
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 127 and name HG1 ))
)
5.000 5.000 0.000 peak 3711 weight 0.10000E+01 volume 0.46500E+00 ppm1 8.777 ppm2 2.337
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 128 and name HA ))
)
5.000 5.000 0.000 peak 3702 weight 0.10000E+01 volume 0.56000E+00 ppm1 8.790 ppm2 4.990
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 128 and name HB1 ))
)
5.000 5.000 0.000 peak 3707 weight 0.10000E+01 volume 0.83200E+00 ppm1 8.783 ppm2 2.740
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 128 and name HB2 ))
)
3.300 3.300 0.000 peak 3709 weight 0.10000E+01 volume 0.22530E+01 ppm1 8.777 ppm2 2.586
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 3697 weight 0.10000E+01 volume 0.12800E+01 ppm1 8.779 ppm2 6.964
ASSI (
(( segid " " and resid 128 and name HN ))
)(
(( segid " " and resid 140 and name HA ))
)
5.000 5.000 0.000 peak 3705 weight 0.10000E+01 volume 0.71700E+00 ppm1 8.780 ppm2 4.429
ASSI (
(( segid " " and resid 143 and name HN ))
)(
(( segid " " and resid 142 and name HA ))
)
2.700 2.700 0.000 peak 151 weight 0.10000E+01 volume 0.56000E+01 ppm1 8.904 ppm2 4.723
ASSI (
(( segid " " and resid 143 and name HN ))
)(
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
)
5.000 5.000 0.000 peak 153 weight 0.10000E+01 volume 0.50200E+00 ppm1 8.904 ppm2 3.825
ASSI (
(( segid " " and resid 143 and name HN ))
)(
(( segid " " and resid 143 and name HB ))
)
3.300 3.300 0.000 peak 154 weight 0.10000E+01 volume 0.16600E+01 ppm1 8.903 ppm2 2.039
ASSI (
(( segid " " and resid 143 and name HN ))
)(
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)
5.000 5.000 0.000 peak 155 weight 0.10000E+01 volume 0.74300E+00 ppm1 8.903 ppm2 0.951
ASSI (
(( segid " " and resid 143 and name HN ))
)(
(( segid " " and resid 149 and name HE3 ))
)
6.000 6.000 0.000 peak 149 weight 0.10000E+01 volume 0.29800E+00 ppm1 8.903 ppm2 7.275
ASSI (
(( segid " " and resid 143 and name HN ))
)(
(( segid " " and resid 150 and name HB2 ))
OR
(( segid " " and resid 150 and name HB1 ))
)
5.000 5.000 0.000 peak 152 weight 0.10000E+01 volume 0.93800E+00 ppm1 8.904 ppm2 4.283
ASSI (
(( segid " " and resid 143 and name HN ))
)(
(( segid " " and resid 150 and name HN ))
)
5.000 5.000 0.000 peak 148 weight 0.10000E+01 volume 0.14750E+01 ppm1 8.903 ppm2 9.234
ASSI (
(( segid " " and resid 144 and name HN ))
)(
(( segid " " and resid 144 and name HB1 ))
)
3.300 3.300 0.000 peak 168 weight 0.10000E+01 volume -0.17050E+01 ppm1 8.797 ppm2 2.530
ASSI (
(( segid " " and resid 146 and name HN ))
)(
(( segid " " and resid 147 and name HN ))
)
5.000 5.000 0.000 peak 179 weight 0.10000E+01 volume 0.81000E+00 ppm1 9.424 ppm2 8.325
ASSI (
(( segid " " and resid 147 and name HN ))
)(
(( segid " " and resid 147 and name HA1 ))
)
3.300 3.300 0.000 peak 7447 weight 0.10000E+01 volume -0.27830E+01 ppm1 8.322 ppm2 3.762
ASSI (
(( segid " " and resid 147 and name HN ))
)(
(( segid " " and resid 147 and name HA2 ))
)
2.700 2.700 0.000 peak 190 weight 0.10000E+01 volume -0.31020E+01 ppm1 8.324 ppm2 3.200
ASSI (
(( segid " " and resid 147 and name HN ))
)(
(( segid " " and resid 148 and name HN ))
)
5.000 5.000 0.000 peak 189 weight 0.10000E+01 volume -0.10330E+01 ppm1 8.324 ppm2 7.502
ASSI (
(( segid " " and resid 148 and name HN ))
)(
(( segid " " and resid 148 and name HB1 ))
)
5.000 5.000 0.000 peak 199 weight 0.10000E+01 volume 0.35700E+00 ppm1 7.497 ppm2 2.006
ASSI (
(( segid " " and resid 148 and name HN ))
)(
(( segid " " and resid 148 and name HB2 ))
)
5.000 5.000 0.000 peak 200 weight 0.10000E+01 volume 0.62700E+00 ppm1 7.502 ppm2 1.845
ASSI (
(( segid " " and resid 148 and name HN ))
)(
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)
5.000 5.000 0.000 peak 194 weight 0.10000E+01 volume 0.38700E+00 ppm1 7.503 ppm2 2.246
ASSI (
(( segid " " and resid 149 and name HN ))
)(
(( segid " " and resid 148 and name HA ))
)
2.700 2.700 0.000 peak 225 weight 0.10000E+01 volume 0.59230E+01 ppm1 8.359 ppm2 4.490
ASSI (
(( segid " " and resid 149 and name HN ))
)(
(( segid " " and resid 148 and name HB1 ))
)
5.000 5.000 0.000 peak 228 weight 0.10000E+01 volume 0.51700E+00 ppm1 8.359 ppm2 2.005
ASSI (
(( segid " " and resid 149 and name HN ))
)(
(( segid " " and resid 149 and name HA ))
)
5.000 5.000 0.000 peak 224 weight 0.10000E+01 volume 0.55300E+00 ppm1 8.362 ppm2 5.129
ASSI (
(( segid " " and resid 149 and name HN ))
)(
(( segid " " and resid 149 and name HB1 ))
)
5.000 5.000 0.000 peak 226 weight 0.10000E+01 volume 0.66300E+00 ppm1 8.360 ppm2 3.398
ASSI (
(( segid " " and resid 149 and name HN ))
)(
(( segid " " and resid 149 and name HB2 ))
)
3.300 3.300 0.000 peak 227 weight 0.10000E+01 volume 0.26930E+01 ppm1 8.360 ppm2 2.614
ASSI (
(( segid " " and resid 149 and name HE1 ))
)(
(( segid " " and resid 149 and name HD1 ))
)
3.300 3.300 0.000 peak 2524 weight 0.10000E+01 volume -0.25800E+01 ppm1 10.091 ppm2 6.429
ASSI (
(( segid " " and resid 94 and name HN ))
)(
(( segid " " and resid 94 and name HB2 ))
OR
(( segid " " and resid 94 and name HB1 ))
)
5.000 5.000 0.000 peak 3436 weight 0.10000E+01 volume 0.33500E+00 ppm1 8.357 ppm2 1.874
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 95 and name HA ))
)
5.000 5.000 0.000 peak 3437 weight 0.10000E+01 volume 0.10010E+01 ppm1 7.895 ppm2 4.647
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 96 and name HG23))
OR
(( segid " " and resid 96 and name HG22))
OR
(( segid " " and resid 96 and name HG21))
OR
(( segid " " and resid 96 and name HG13))
OR
(( segid " " and resid 96 and name HG12))
OR
(( segid " " and resid 96 and name HG11))
)
5.000 5.000 0.000 peak 3404 weight 0.10000E+01 volume 0.70000E+00 ppm1 7.893 ppm2 0.865
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 101 and name HB1 ))
)
6.000 6.000 0.000 peak 3477 weight 0.10000E+01 volume 0.14100E+00 ppm1 8.741 ppm2 2.125
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 101 and name HB2 ))
)
6.000 6.000 0.000 peak 3478 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.740 ppm2 1.938
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 102 and name HA ))
)
3.300 3.300 0.000 peak 3472 weight 0.10000E+01 volume 0.27120E+01 ppm1 8.740 ppm2 4.293
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 102 and name HB1 ))
)
2.700 2.700 0.000 peak 3473 weight 0.10000E+01 volume 0.34210E+01 ppm1 8.739 ppm2 4.043
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 103 and name HB1 ))
)
6.000 6.000 0.000 peak 3476 weight 0.10000E+01 volume 0.90000E-01 ppm1 8.741 ppm2 2.432
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 102 and name HN ))
)
3.300 3.300 0.000 peak 3487 weight 0.10000E+01 volume 0.16920E+01 ppm1 7.136 ppm2 8.740
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 103 and name HA ))
)
3.300 3.300 0.000 peak 3481 weight 0.10000E+01 volume 0.17660E+01 ppm1 7.135 ppm2 3.971
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 103 and name HB1 ))
)
3.300 3.300 0.000 peak 3482 weight 0.10000E+01 volume 0.27240E+01 ppm1 7.135 ppm2 2.436
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 103 and name HD2 ))
OR
(( segid " " and resid 103 and name HD1 ))
)
3.300 3.300 0.000 peak 3488 weight 0.10000E+01 volume 0.23720E+01 ppm1 7.135 ppm2 6.446
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)
6.000 6.000 0.000 peak 3485 weight 0.10000E+01 volume 0.17600E+00 ppm1 7.133 ppm2 1.022
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 104 and name HD23))
OR
(( segid " " and resid 104 and name HD22))
OR
(( segid " " and resid 104 and name HD21))
)
6.000 6.000 0.000 peak 3484 weight 0.10000E+01 volume 0.14000E+00 ppm1 7.138 ppm2 0.863
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 104 and name HG ))
)
6.000 6.000 0.000 peak 3486 weight 0.10000E+01 volume 0.22100E+00 ppm1 7.134 ppm2 1.724
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 3489 weight 0.10000E+01 volume 0.12590E+01 ppm1 7.131 ppm2 7.338
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 103 and name HB1 ))
)
5.000 5.000 0.000 peak 3494 weight 0.10000E+01 volume 0.36600E+00 ppm1 7.334 ppm2 2.429
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 104 and name HB2 ))
OR
(( segid " " and resid 104 and name HB1 ))
)
2.700 2.700 0.000 peak 3496 weight 0.10000E+01 volume 0.35650E+01 ppm1 7.336 ppm2 1.859
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 104 and name HD13))
OR
(( segid " " and resid 104 and name HD12))
OR
(( segid " " and resid 104 and name HD11))
)
5.000 5.000 0.000 peak 3498 weight 0.10000E+01 volume 0.66000E+00 ppm1 7.333 ppm2 1.034
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 104 and name HG ))
)
3.300 3.300 0.000 peak 3497 weight 0.10000E+01 volume 0.29230E+01 ppm1 7.335 ppm2 1.719
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 104 and name HB2 ))
OR
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 3408 weight 0.10000E+01 volume 0.63800E+00 ppm1 7.285 ppm2 1.858
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 106 and name HN ))
)
6.000 6.000 0.000 peak 3500 weight 0.10000E+01 volume 0.28300E+00 ppm1 7.288 ppm2 8.469
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 111 and name HG23))
OR
(( segid " " and resid 111 and name HG22))
OR
(( segid " " and resid 111 and name HG21))
)
6.000 6.000 0.000 peak 3412 weight 0.10000E+01 volume 0.15000E+00 ppm1 7.288 ppm2 0.597
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 153 and name HE1 ))
)
6.000 6.000 0.000 peak 3407 weight 0.10000E+01 volume 0.13400E+00 ppm1 7.290 ppm2 2.848
ASSI (
(( segid " " and resid 106 and name HN ))
)(
(( segid " " and resid 106 and name HB1 ))
)
3.300 3.300 0.000 peak 3389 weight 0.10000E+01 volume 0.15640E+01 ppm1 8.462 ppm2 1.334
ASSI (
(( segid " " and resid 106 and name HN ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
6.000 6.000 0.000 peak 3374 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.461 ppm2 0.615
ASSI (
(( segid " " and resid 106 and name HN ))
)(
(( segid " " and resid 106 and name HG ))
)
5.000 5.000 0.000 peak 3385 weight 0.10000E+01 volume 0.69500E+00 ppm1 8.463 ppm2 1.082
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
6.000 6.000 0.000 peak 2422 weight 0.10000E+01 volume -0.25000E+00 ppm1 8.692 ppm2 0.627
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 106 and name HG ))
)
5.000 5.000 0.000 peak 5424 weight 0.10000E+01 volume -0.40800E+00 ppm1 8.698 ppm2 1.090
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 107 and name HA ))
)
3.300 3.300 0.000 peak 3432 weight 0.10000E+01 volume -0.17250E+01 ppm1 8.701 ppm2 3.889
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 3512 weight 0.10000E+01 volume -0.67300E+00 ppm1 8.699 ppm2 8.946
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 109 and name HN ))
)
3.300 3.300 0.000 peak 3513 weight 0.10000E+01 volume 0.16900E+01 ppm1 8.944 ppm2 7.558
ASSI (
(( segid " " and resid 108 and name HD21))
)(
(( segid " " and resid 108 and name HB1 ))
)
3.300 3.300 0.000 peak 2369 weight 0.10000E+01 volume 0.17480E+01 ppm1 7.444 ppm2 1.972
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 106 and name HB1 ))
)
5.000 5.000 0.000 peak 3523 weight 0.10000E+01 volume -0.30700E+00 ppm1 7.554 ppm2 1.340
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 106 and name HB2 ))
)
6.000 6.000 0.000 peak 3525 weight 0.10000E+01 volume -0.16000E+00 ppm1 7.556 ppm2 0.927
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 108 and name HB2 ))
)
5.000 5.000 0.000 peak 3524 weight 0.10000E+01 volume -0.74700E+00 ppm1 7.557 ppm2 1.088
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 109 and name HA2 ))
)
3.300 3.300 0.000 peak 3519 weight 0.10000E+01 volume -0.24200E+01 ppm1 7.561 ppm2 3.882
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 130 and name HA ))
)
6.000 6.000 0.000 peak 3522 weight 0.10000E+01 volume -0.18100E+00 ppm1 7.558 ppm2 5.034
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 106 and name HB2 ))
)
6.000 6.000 0.000 peak 3530 weight 0.10000E+01 volume 0.17800E+00 ppm1 9.004 ppm2 0.929
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 106 and name HG ))
)
6.000 6.000 0.000 peak 3529 weight 0.10000E+01 volume 0.19500E+00 ppm1 9.005 ppm2 1.082
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 110 and name HB1 ))
)
3.300 3.300 0.000 peak 3366 weight 0.10000E+01 volume 0.21260E+01 ppm1 9.005 ppm2 1.511
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 110 and name HD1 ))
)
5.000 5.000 0.000 peak 3365 weight 0.10000E+01 volume 0.37400E+00 ppm1 9.004 ppm2 1.724
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 110 and name HG1 ))
)
5.000 5.000 0.000 peak 3527 weight 0.10000E+01 volume 0.64800E+00 ppm1 9.004 ppm2 1.332
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 110 and name HG2 ))
)
5.000 5.000 0.000 peak 3528 weight 0.10000E+01 volume 0.31900E+00 ppm1 9.005 ppm2 1.236
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 111 and name HG13))
OR
(( segid " " and resid 111 and name HG12))
OR
(( segid " " and resid 111 and name HG11))
)
6.000 6.000 0.000 peak 3531 weight 0.10000E+01 volume 0.15300E+00 ppm1 9.006 ppm2 0.763
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 129 and name HN ))
)
5.000 5.000 0.000 peak 3363 weight 0.10000E+01 volume 0.11140E+01 ppm1 9.006 ppm2 8.601
ASSI (
(( segid " " and resid 129 and name HN ))
)(
(( segid " " and resid 128 and name HB2 ))
)
5.000 5.000 0.000 peak 3722 weight 0.10000E+01 volume 0.32900E+00 ppm1 8.600 ppm2 2.586
ASSI (
(( segid " " and resid 129 and name HN ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
5.000 5.000 0.000 peak 3720 weight 0.10000E+01 volume 0.31200E+00 ppm1 8.599 ppm2 6.975
ASSI (
(( segid " " and resid 129 and name HN ))
)(
(( segid " " and resid 129 and name HB1 ))
)
5.000 5.000 0.000 peak 3723 weight 0.10000E+01 volume 0.78500E+00 ppm1 8.598 ppm2 1.884
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 129 and name HA ))
)
2.700 2.700 0.000 peak 3725 weight 0.10000E+01 volume 0.65630E+01 ppm1 8.990 ppm2 4.660
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 129 and name HN ))
)
6.000 6.000 0.000 peak 3324 weight 0.10000E+01 volume 0.24500E+00 ppm1 8.984 ppm2 8.585
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 130 and name HA ))
)
5.000 5.000 0.000 peak 3724 weight 0.10000E+01 volume 0.13160E+01 ppm1 8.989 ppm2 5.032
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 130 and name HB1 ))
)
5.000 5.000 0.000 peak 3726 weight 0.10000E+01 volume 0.84700E+00 ppm1 8.988 ppm2 3.065
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 130 and name HB2 ))
)
3.300 3.300 0.000 peak 3727 weight 0.10000E+01 volume 0.28490E+01 ppm1 8.987 ppm2 2.562
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 136 and name HB2 ))
)
5.000 5.000 0.000 peak 3731 weight 0.10000E+01 volume 0.33200E+00 ppm1 8.988 ppm2 1.455
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 3732 weight 0.10000E+01 volume 0.75400E+00 ppm1 8.989 ppm2 0.640
ASSI (
(( segid " " and resid 130 and name HN ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 3733 weight 0.10000E+01 volume 0.30000E+00 ppm1 8.988 ppm2 0.540
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 109 and name HA1 ))
)
3.300 3.300 0.000 peak 3737 weight 0.10000E+01 volume 0.27030E+01 ppm1 8.985 ppm2 4.336
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 130 and name HA ))
)
2.700 2.700 0.000 peak 3735 weight 0.10000E+01 volume 0.40140E+01 ppm1 8.983 ppm2 5.034
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 130 and name HB1 ))
)
5.000 5.000 0.000 peak 3740 weight 0.10000E+01 volume 0.14800E+01 ppm1 8.983 ppm2 3.058
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 130 and name HB2 ))
)
5.000 5.000 0.000 peak 3742 weight 0.10000E+01 volume 0.69400E+00 ppm1 8.984 ppm2 2.558
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 131 and name HA ))
)
5.000 5.000 0.000 peak 3736 weight 0.10000E+01 volume 0.10320E+01 ppm1 8.985 ppm2 4.684
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 134 and name HB1 ))
)
5.000 5.000 0.000 peak 3739 weight 0.10000E+01 volume 0.44000E+00 ppm1 8.984 ppm2 3.227
ASSI (
(( segid " " and resid 131 and name HN ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
6.000 6.000 0.000 peak 3734 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.984 ppm2 6.793
ASSI (
(( segid " " and resid 133 and name HN ))
)(
(( segid " " and resid 132 and name HB2 ))
)
5.000 5.000 0.000 peak 3753 weight 0.10000E+01 volume 0.47300E+00 ppm1 8.559 ppm2 1.896
ASSI (
(( segid " " and resid 133 and name HN ))
)(
(( segid " " and resid 132 and name HD2 ))
)
6.000 6.000 0.000 peak 3750 weight 0.10000E+01 volume 0.17000E+00 ppm1 8.558 ppm2 3.649
ASSI (
(( segid " " and resid 133 and name HN ))
)(
(( segid " " and resid 133 and name HA ))
)
2.700 2.700 0.000 peak 3749 weight 0.10000E+01 volume 0.60550E+01 ppm1 8.560 ppm2 4.423
ASSI (
(( segid " " and resid 133 and name HN ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 3747 weight 0.10000E+01 volume 0.51400E+00 ppm1 8.559 ppm2 6.801
ASSI (
(( segid " " and resid 133 and name HN ))
)(
(( segid " " and resid 134 and name HN ))
)
3.300 3.300 0.000 peak 3746 weight 0.10000E+01 volume 0.15210E+01 ppm1 8.560 ppm2 8.317
ASSI (
(( segid " " and resid 133 and name HN ))
)(
(( segid " " and resid 159 and name HD22))
)
6.000 6.000 0.000 peak 3748 weight 0.10000E+01 volume 0.17200E+00 ppm1 8.560 ppm2 6.597
ASSI (
(( segid " " and resid 134 and name HN ))
)(
(( segid " " and resid 130 and name HB1 ))
)
5.000 5.000 0.000 peak 3760 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.325 ppm2 3.063
ASSI (
(( segid " " and resid 134 and name HN ))
)(
(( segid " " and resid 134 and name HB1 ))
)
3.300 3.300 0.000 peak 3759 weight 0.10000E+01 volume 0.24200E+01 ppm1 8.325 ppm2 3.227
ASSI (
(( segid " " and resid 134 and name HN ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
3.300 3.300 0.000 peak 3756 weight 0.10000E+01 volume 0.15910E+01 ppm1 8.323 ppm2 6.802
ASSI (
(( segid " " and resid 134 and name HN ))
)(
(( segid " " and resid 159 and name HD21))
)
6.000 6.000 0.000 peak 3755 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.325 ppm2 7.505
ASSI (
(( segid " " and resid 134 and name HN ))
)(
(( segid " " and resid 159 and name HD22))
)
6.000 6.000 0.000 peak 3757 weight 0.10000E+01 volume 0.21800E+00 ppm1 8.326 ppm2 6.613
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 130 and name HB1 ))
)
6.000 6.000 0.000 peak 3767 weight 0.10000E+01 volume 0.17600E+00 ppm1 9.179 ppm2 3.050
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 134 and name HA ))
)
2.700 2.700 0.000 peak 3764 weight 0.10000E+01 volume 0.34030E+01 ppm1 9.177 ppm2 4.925
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 134 and name HB2 ))
)
3.300 3.300 0.000 peak 3768 weight 0.10000E+01 volume 0.23680E+01 ppm1 9.179 ppm2 2.525
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 3763 weight 0.10000E+01 volume 0.30400E+00 ppm1 9.178 ppm2 6.798
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 135 and name HB2 ))
OR
(( segid " " and resid 135 and name HB1 ))
)
5.000 5.000 0.000 peak 3323 weight 0.10000E+01 volume 0.65500E+00 ppm1 9.179 ppm2 3.262
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 135 and name HD2 ))
)
6.000 6.000 0.000 peak 3762 weight 0.10000E+01 volume 0.10600E+00 ppm1 9.178 ppm2 6.994
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 157 and name HB2 ))
)
6.000 6.000 0.000 peak 3769 weight 0.10000E+01 volume 0.25200E+00 ppm1 9.178 ppm2 1.308
ASSI (
(( segid " " and resid 135 and name HN ))
)(
(( segid " " and resid 158 and name HA ))
)
5.000 5.000 0.000 peak 3766 weight 0.10000E+01 volume 0.33200E+00 ppm1 9.179 ppm2 3.459
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 130 and name HB2 ))
)
5.000 5.000 0.000 peak 3773 weight 0.10000E+01 volume 0.33500E+00 ppm1 8.721 ppm2 2.562
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 135 and name HB2 ))
OR
(( segid " " and resid 135 and name HB1 ))
)
3.300 3.300 0.000 peak 3772 weight 0.10000E+01 volume 0.16800E+01 ppm1 8.721 ppm2 3.261
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 135 and name HD2 ))
)
6.000 6.000 0.000 peak 3770 weight 0.10000E+01 volume 0.14400E+00 ppm1 8.724 ppm2 7.001
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 136 and name HB1 ))
)
2.700 2.700 0.000 peak 3774 weight 0.10000E+01 volume 0.31080E+01 ppm1 8.723 ppm2 1.732
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 136 and name HB2 ))
)
2.700 2.700 0.000 peak 3775 weight 0.10000E+01 volume 0.40930E+01 ppm1 8.721 ppm2 1.450
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
5.000 5.000 0.000 peak 3322 weight 0.10000E+01 volume 0.31900E+00 ppm1 8.718 ppm2 0.623
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 136 and name HD23))
OR
(( segid " " and resid 136 and name HD22))
OR
(( segid " " and resid 136 and name HD21))
)
5.000 5.000 0.000 peak 7451 weight 0.10000E+01 volume 0.33000E+00 ppm1 8.719 ppm2 0.539
ASSI (
(( segid " " and resid 136 and name HN ))
)(
(( segid " " and resid 136 and name HG ))
)
5.000 5.000 0.000 peak 3776 weight 0.10000E+01 volume 0.31800E+00 ppm1 8.722 ppm2 1.151
ASSI (
(( segid " " and resid 137 and name HN ))
)(
(( segid " " and resid 136 and name HB2 ))
)
5.000 5.000 0.000 peak 3784 weight 0.10000E+01 volume -0.59900E+00 ppm1 8.923 ppm2 1.444
ASSI (
(( segid " " and resid 137 and name HN ))
)(
(( segid " " and resid 137 and name HB ))
)
3.300 3.300 0.000 peak 3785 weight 0.10000E+01 volume -0.28880E+01 ppm1 8.919 ppm2 1.160
ASSI (
(( segid " " and resid 137 and name HN ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
)
3.300 3.300 0.000 peak 3786 weight 0.10000E+01 volume -0.15660E+01 ppm1 8.921 ppm2 0.798
ASSI (
(( segid " " and resid 137 and name HN ))
)(
(( segid " " and resid 138 and name HN ))
)
6.000 6.000 0.000 peak 3778 weight 0.10000E+01 volume -0.19900E+00 ppm1 8.928 ppm2 8.388
ASSI (
(( segid " " and resid 137 and name HN ))
)(
(( segid " " and resid 155 and name HN ))
)
5.000 5.000 0.000 peak 3779 weight 0.10000E+01 volume -0.11640E+01 ppm1 8.925 ppm2 7.896
ASSI (
(( segid " " and resid 138 and name HN ))
)(
(( segid " " and resid 136 and name HD13))
OR
(( segid " " and resid 136 and name HD12))
OR
(( segid " " and resid 136 and name HD11))
)
6.000 6.000 0.000 peak 3788 weight 0.10000E+01 volume 0.19100E+00 ppm1 8.391 ppm2 0.613
ASSI (
(( segid " " and resid 138 and name HN ))
)(
(( segid " " and resid 137 and name HB ))
)
5.000 5.000 0.000 peak 3790 weight 0.10000E+01 volume 0.32600E+00 ppm1 8.391 ppm2 1.164
ASSI (
(( segid " " and resid 138 and name HN ))
)(
(( segid " " and resid 137 and name HG23))
OR
(( segid " " and resid 137 and name HG22))
OR
(( segid " " and resid 137 and name HG21))
OR
(( segid " " and resid 137 and name HG13))
OR
(( segid " " and resid 137 and name HG12))
OR
(( segid " " and resid 137 and name HG11))
)
5.000 5.000 0.000 peak 3789 weight 0.10000E+01 volume 0.13670E+01 ppm1 8.390 ppm2 0.849
ASSI (
(( segid " " and resid 138 and name HN ))
)(
(( segid " " and resid 138 and name HA1 ))
)
3.300 3.300 0.000 peak 3792 weight 0.10000E+01 volume 0.18000E+01 ppm1 8.393 ppm2 4.547
ASSI (
(( segid " " and resid 138 and name HN ))
)(
(( segid " " and resid 138 and name HA2 ))
)
2.700 2.700 0.000 peak 3791 weight 0.10000E+01 volume 0.37900E+01 ppm1 8.388 ppm2 3.592
ASSI (
(( segid " " and resid 139 and name HN ))
)(
(( segid " " and resid 139 and name HB1 ))
)
3.300 3.300 0.000 peak 3795 weight 0.10000E+01 volume 0.18680E+01 ppm1 8.629 ppm2 4.079
ASSI (
(( segid " " and resid 139 and name HN ))
)(
(( segid " " and resid 139 and name HB2 ))
)
3.300 3.300 0.000 peak 3796 weight 0.10000E+01 volume 0.29600E+01 ppm1 8.628 ppm2 3.907
ASSI (
(( segid " " and resid 140 and name HN ))
)(
(( segid " " and resid 140 and name HB2 ))
)
3.300 3.300 0.000 peak 3660 weight 0.10000E+01 volume 0.18820E+01 ppm1 8.494 ppm2 3.943
ASSI (
(( segid " " and resid 140 and name HN ))
)(
(( segid " " and resid 141 and name HN ))
)
3.300 3.300 0.000 peak 111 weight 0.10000E+01 volume 0.27980E+01 ppm1 8.498 ppm2 7.659
ASSI (
(( segid " " and resid 141 and name HN ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 117 weight 0.10000E+01 volume 0.23100E+00 ppm1 7.659 ppm2 6.973
ASSI (
(( segid " " and resid 141 and name HN ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
6.000 6.000 0.000 peak 1596 weight 0.10000E+01 volume 0.10900E+00 ppm1 7.660 ppm2 1.485
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 126 and name HG13))
OR
(( segid " " and resid 126 and name HG12))
OR
(( segid " " and resid 126 and name HG11))
)
6.000 6.000 0.000 peak 136 weight 0.10000E+01 volume 0.21600E+00 ppm1 8.592 ppm2 0.494
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 126 and name HG23))
OR
(( segid " " and resid 126 and name HG22))
OR
(( segid " " and resid 126 and name HG21))
)
3.300 3.300 0.000 peak 135 weight 0.10000E+01 volume 0.15270E+01 ppm1 8.593 ppm2 0.331
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 127 and name HA ))
)
5.000 5.000 0.000 peak 138 weight 0.10000E+01 volume 0.36800E+00 ppm1 8.594 ppm2 5.125
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 128 and name HD2 ))
OR
(( segid " " and resid 128 and name HD1 ))
)
6.000 6.000 0.000 peak 126 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.592 ppm2 6.972
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 128 and name HE2 ))
OR
(( segid " " and resid 128 and name HE1 ))
)
6.000 6.000 0.000 peak 125 weight 0.10000E+01 volume 0.22800E+00 ppm1 8.594 ppm2 7.101
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 141 and name HB1 ))
)
5.000 5.000 0.000 peak 132 weight 0.10000E+01 volume 0.10480E+01 ppm1 8.587 ppm2 1.900
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 141 and name HB2 ))
)
5.000 5.000 0.000 peak 133 weight 0.10000E+01 volume 0.78300E+00 ppm1 8.589 ppm2 1.762
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 141 and name HG2 ))
)
5.000 5.000 0.000 peak 134 weight 0.10000E+01 volume 0.36700E+00 ppm1 8.594 ppm2 1.629
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 141 and name HN ))
)
5.000 5.000 0.000 peak 124 weight 0.10000E+01 volume 0.34500E+00 ppm1 8.592 ppm2 7.652
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 142 and name HA ))
)
5.000 5.000 0.000 peak 127 weight 0.10000E+01 volume 0.14990E+01 ppm1 8.595 ppm2 4.728
ASSI (
(( segid " " and resid 142 and name HN ))
)(
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
)
5.000 5.000 0.000 peak 130 weight 0.10000E+01 volume 0.11260E+01 ppm1 8.590 ppm2 3.822
ASSI (
(( segid " " and resid 144 and name HN ))
)(
(( segid " " and resid 143 and name HB ))
)
5.000 5.000 0.000 peak 169 weight 0.10000E+01 volume -0.32100E+00 ppm1 8.792 ppm2 2.039
ASSI (
(( segid " " and resid 144 and name HN ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
OR
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)
3.300 3.300 0.000 peak 171 weight 0.10000E+01 volume -0.15010E+01 ppm1 8.791 ppm2 0.923
ASSI (
(( segid " " and resid 144 and name HN ))
)(
(( segid " " and resid 149 and name HZ3 ))
)
5.000 5.000 0.000 peak 158 weight 0.10000E+01 volume -0.83300E+00 ppm1 8.791 ppm2 6.810
ASSI (
(( segid " " and resid 145 and name HN ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
OR
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)
6.000 6.000 0.000 peak 177 weight 0.10000E+01 volume 0.15600E+00 ppm1 8.394 ppm2 0.925
ASSI (
(( segid " " and resid 145 and name HN ))
)(
(( segid " " and resid 144 and name HB2 ))
)
6.000 6.000 0.000 peak 176 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.392 ppm2 0.639
ASSI (
(( segid " " and resid 145 and name HN ))
)(
(( segid " " and resid 149 and name HA ))
)
5.000 5.000 0.000 peak 173 weight 0.10000E+01 volume 0.70100E+00 ppm1 8.395 ppm2 5.134
ASSI (
(( segid " " and resid 148 and name HE21))
)(
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)
6.000 6.000 0.000 peak 2547 weight 0.10000E+01 volume 0.18700E+00 ppm1 7.528 ppm2 2.269
ASSI (
(( segid " " and resid 148 and name HE22))
)(
(( segid " " and resid 148 and name HG2 ))
OR
(( segid " " and resid 148 and name HG1 ))
)
6.000 6.000 0.000 peak 2548 weight 0.10000E+01 volume 0.11900E+00 ppm1 6.793 ppm2 2.256
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 142 and name HA ))
)
5.000 5.000 0.000 peak 237 weight 0.10000E+01 volume 0.70100E+00 ppm1 9.245 ppm2 4.730
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
)
6.000 6.000 0.000 peak 241 weight 0.10000E+01 volume 0.16900E+00 ppm1 9.242 ppm2 3.829
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 143 and name HG23))
OR
(( segid " " and resid 143 and name HG22))
OR
(( segid " " and resid 143 and name HG21))
OR
(( segid " " and resid 143 and name HG13))
OR
(( segid " " and resid 143 and name HG12))
OR
(( segid " " and resid 143 and name HG11))
)
6.000 6.000 0.000 peak 2386 weight 0.10000E+01 volume 0.20600E+00 ppm1 9.246 ppm2 0.929
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 149 and name HA ))
)
2.700 2.700 0.000 peak 236 weight 0.10000E+01 volume 0.46890E+01 ppm1 9.242 ppm2 5.128
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 149 and name HB2 ))
)
5.000 5.000 0.000 peak 2341 weight 0.10000E+01 volume 0.35100E+00 ppm1 9.243 ppm2 2.609
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 151 and name HG23))
OR
(( segid " " and resid 151 and name HG22))
OR
(( segid " " and resid 151 and name HG21))
)
6.000 6.000 0.000 peak 2372 weight 0.10000E+01 volume 0.11300E+00 ppm1 9.244 ppm2 1.499
ASSI (
(( segid " " and resid 150 and name HN ))
)(
(( segid " " and resid 151 and name HN ))
)
5.000 5.000 0.000 peak 233 weight 0.10000E+01 volume 0.12930E+01 ppm1 9.245 ppm2 7.620
ASSI (
(( segid " " and resid 151 and name HN ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
5.000 5.000 0.000 peak 2465 weight 0.10000E+01 volume 0.40300E+00 ppm1 7.620 ppm2 6.716
ASSI (
(( segid " " and resid 151 and name HN ))
)(
(( segid " " and resid 142 and name HA ))
)
2.700 2.700 0.000 peak 238 weight 0.10000E+01 volume 0.33710E+01 ppm1 7.620 ppm2 4.745
ASSI (
(( segid " " and resid 151 and name HN ))
)(
(( segid " " and resid 142 and name HB2 ))
OR
(( segid " " and resid 142 and name HB1 ))
)
5.000 5.000 0.000 peak 2467 weight 0.10000E+01 volume 0.30600E+00 ppm1 7.619 ppm2 3.825
ASSI (
(( segid " " and resid 151 and name HN ))
)(
(( segid " " and resid 149 and name HB2 ))
)
5.000 5.000 0.000 peak 2469 weight 0.10000E+01 volume 0.51200E+00 ppm1 7.619 ppm2 2.614
ASSI (
(( segid " " and resid 151 and name HN ))
)(
(( segid " " and resid 151 and name HB ))
)
5.000 5.000 0.000 peak 2466 weight 0.10000E+01 volume 0.45300E+00 ppm1 7.621 ppm2 4.524
ASSI (
(( segid " " and resid 153 and name HN ))
)(
(( segid " " and resid 103 and name HE2 ))
OR
(( segid " " and resid 103 and name HE1 ))
)
5.000 5.000 0.000 peak 2471 weight 0.10000E+01 volume -0.32600E+00 ppm1 8.362 ppm2 6.719
ASSI (
(( segid " " and resid 153 and name HN ))
)(
(( segid " " and resid 152 and name HA ))
)
2.700 2.700 0.000 peak 2472 weight 0.10000E+01 volume -0.49490E+01 ppm1 8.361 ppm2 4.677
ASSI (
(( segid " " and resid 153 and name HN ))
)(
(( segid " " and resid 153 and name HB2 ))
)
3.300 3.300 0.000 peak 2478 weight 0.10000E+01 volume -0.22700E+01 ppm1 8.362 ppm2 0.527
ASSI (
(( segid " " and resid 153 and name HN ))
)(
(( segid " " and resid 153 and name HG2 ))
)
6.000 6.000 0.000 peak 7352 weight 0.10000E+01 volume -0.12100E+00 ppm1 8.361 ppm2 0.366
ASSI (
(( segid " " and resid 155 and name HN ))
)(
(( segid " " and resid 138 and name HA1 ))
)
5.000 5.000 0.000 peak 2477 weight 0.10000E+01 volume 0.42900E+00 ppm1 7.890 ppm2 4.563
ASSI (
(( segid " " and resid 155 and name HN ))
)(
(( segid " " and resid 154 and name HB2 ))
)
3.300 3.300 0.000 peak 2481 weight 0.10000E+01 volume 0.25020E+01 ppm1 7.899 ppm2 1.416
ASSI (
(( segid " " and resid 155 and name HN ))
)(
(( segid " " and resid 154 and name HG2 ))
)
6.000 6.000 0.000 peak 2483 weight 0.10000E+01 volume 0.24300E+00 ppm1 7.897 ppm2 0.382
ASSI (
(( segid " " and resid 156 and name HN ))
)(
(( segid " " and resid 106 and name HD13))
OR
(( segid " " and resid 106 and name HD12))
OR
(( segid " " and resid 106 and name HD11))
)
6.000 6.000 0.000 peak 2491 weight 0.10000E+01 volume 0.13000E+00 ppm1 9.311 ppm2 0.632
ASSI (
(( segid " " and resid 156 and name HN ))
)(
(( segid " " and resid 155 and name HA ))
)
2.700 2.700 0.000 peak 2484 weight 0.10000E+01 volume 0.61710E+01 ppm1 9.312 ppm2 4.699
ASSI (
(( segid " " and resid 156 and name HN ))
)(
(( segid " " and resid 155 and name HB2 ))
OR
(( segid " " and resid 155 and name HB1 ))
)
3.300 3.300 0.000 peak 2486 weight 0.10000E+01 volume 0.27630E+01 ppm1 9.310 ppm2 3.042
ASSI (
(( segid " " and resid 156 and name HN ))
)(
(( segid " " and resid 156 and name HB1 ))
)
3.300 3.300 0.000 peak 2487 weight 0.10000E+01 volume 0.20130E+01 ppm1 9.310 ppm2 2.666
ASSI (
(( segid " " and resid 157 and name HN ))
)(
(( segid " " and resid 134 and name HB1 ))
)
6.000 6.000 0.000 peak 2496 weight 0.10000E+01 volume 0.15300E+00 ppm1 9.056 ppm2 3.245
ASSI (
(( segid " " and resid 157 and name HN ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 2493 weight 0.10000E+01 volume 0.31100E+00 ppm1 9.056 ppm2 6.797
ASSI (
(( segid " " and resid 157 and name HN ))
)(
(( segid " " and resid 156 and name HB2 ))
)
5.000 5.000 0.000 peak 2497 weight 0.10000E+01 volume 0.71300E+00 ppm1 9.054 ppm2 2.531
ASSI (
(( segid " " and resid 157 and name HN ))
)(
(( segid " " and resid 156 and name HN ))
)
6.000 6.000 0.000 peak 2492 weight 0.10000E+01 volume 0.26600E+00 ppm1 9.055 ppm2 9.321
ASSI (
(( segid " " and resid 157 and name HN ))
)(
(( segid " " and resid 157 and name HB2 ))
)
3.300 3.300 0.000 peak 2500 weight 0.10000E+01 volume 0.21880E+01 ppm1 9.054 ppm2 1.311
ASSI (
(( segid " " and resid 157 and name HE22))
)(
(( segid " " and resid 157 and name HG2 ))
OR
(( segid " " and resid 157 and name HG1 ))
)
5.000 5.000 0.000 peak 2551 weight 0.10000E+01 volume 0.31100E+00 ppm1 6.922 ppm2 2.442
ASSI (
(( segid " " and resid 158 and name HN ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
5.000 5.000 0.000 peak 2503 weight 0.10000E+01 volume 0.62600E+00 ppm1 8.570 ppm2 6.802
ASSI (
(( segid " " and resid 158 and name HN ))
)(
(( segid " " and resid 134 and name HE2 ))
OR
(( segid " " and resid 134 and name HE1 ))
)
6.000 6.000 0.000 peak 2502 weight 0.10000E+01 volume 0.20900E+00 ppm1 8.569 ppm2 7.266
ASSI (
(( segid " " and resid 158 and name HN ))
)(
(( segid " " and resid 157 and name HB1 ))
)
5.000 5.000 0.000 peak 2508 weight 0.10000E+01 volume 0.42700E+00 ppm1 8.570 ppm2 1.681
ASSI (
(( segid " " and resid 158 and name HN ))
)(
(( segid " " and resid 157 and name HB2 ))
)
5.000 5.000 0.000 peak 2507 weight 0.10000E+01 volume 0.35800E+00 ppm1 8.570 ppm2 1.307
ASSI (
(( segid " " and resid 158 and name HN ))
)(
(( segid " " and resid 158 and name HB ))
)
2.700 2.700 0.000 peak 2509 weight 0.10000E+01 volume 0.31530E+01 ppm1 8.571 ppm2 1.861
ASSI (
(( segid " " and resid 159 and name HN ))
)(
(( segid " " and resid 134 and name HD2 ))
OR
(( segid " " and resid 134 and name HD1 ))
)
6.000 6.000 0.000 peak 2514 weight 0.10000E+01 volume -0.11400E+00 ppm1 7.927 ppm2 6.798
ASSI (
(( segid " " and resid 159 and name HN ))
)(
(( segid " " and resid 135 and name HN ))
)
6.000 6.000 0.000 peak 2511 weight 0.10000E+01 volume -0.17000E+00 ppm1 7.927 ppm2 9.178
ASSI (
(( segid " " and resid 159 and name HN ))
)(
(( segid " " and resid 158 and name HN ))
)
5.000 5.000 0.000 peak 2512 weight 0.10000E+01 volume -0.34200E+00 ppm1 7.927 ppm2 8.571
ASSI (
(( segid " " and resid 159 and name HN ))
)(
(( segid " " and resid 159 and name HB2 ))
)
3.300 3.300 0.000 peak 2519 weight 0.10000E+01 volume -0.23820E+01 ppm1 7.928 ppm2 2.596
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