NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
600927 |
5i2v   |
30012 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: Distancesrestraints2.tbl
ASSI { 482}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 9 and name H8 ))
6.500 2.500 0.000 peak 482 weight 1.00000E+00 volume 3.00033E+06 ppm1 7.899 ppm2 7.568
ASSI { 402}
(( segid " A" and resid 10 and name H4' ))
(( segid " A" and resid 10 and name H2''))
4.500 2.000 0.300 peak 402 weight 1.00000E+00 volume 3.74584E+06 ppm1 4.307 ppm2 2.090
ASSI { 219}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 12 and name H5''))
4.500 2.000 0.300 peak 219 weight 1.00000E+00 volume 1.60524E+07 ppm1 5.919 ppm2 4.326
ASSI { 97}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H2''))
3.000 1.200 0.200 peak 97 weight 1.00000E+00 volume 4.87770E+07 ppm1 7.815 ppm2 2.300
ASSI { 223}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H5''))
4.500 2.000 0.300 peak 223 weight 1.00000E+00 volume 5.49623E+06 ppm1 8.156 ppm2 4.034
ASSI { 79}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H2''))
3.000 1.200 0.200 peak 79 weight 1.00000E+00 volume 4.66385E+07 ppm1 8.156 ppm2 2.610
ASSI { 259}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H4' ))
4.500 2.000 0.300 peak 259 weight 1.00000E+00 volume 2.38905E+07 ppm1 5.989 ppm2 4.403
ASSI { 290}
(( segid " A" and resid 6 and name H3' ))
(( segid " A" and resid 6 and name H5''))
3.000 1.200 0.200 peak 290 weight 1.00000E+00 volume 3.84835E+07 ppm1 5.083 ppm2 4.226
ASSI { 512}
(( segid " A" and resid 16 and name H6 ))
(( segid " A" and resid 15 and name H4' ))
6.500 2.500 0.000 peak 512 weight 1.00000E+00 volume 2.16203E+06 ppm1 7.433 ppm2 4.422
ASSI { 434}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 18 and name H2''))
6.500 2.500 0.000 peak 434 weight 1.00000E+00 volume 2.05580E+06 ppm1 11.361 ppm2 2.634
ASSI { 430}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H2''))
6.500 2.500 0.000 peak 430 weight 1.00000E+00 volume 2.38354E+06 ppm1 11.214 ppm2 2.516
ASSI { 268}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 21 and name H2''))
3.000 1.200 0.200 peak 268 weight 1.00000E+00 volume 3.76578E+07 ppm1 5.811 ppm2 2.392
ASSI { 206}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H3' ))
4.500 2.000 0.300 peak 206 weight 1.00000E+00 volume 1.47750E+07 ppm1 7.606 ppm2 4.614
ASSI { 175}
(( segid " A" and resid 9 and name H8 ))
(( segid " A" and resid 9 and name H5''))
4.500 2.000 0.300 peak 175 weight 1.00000E+00 volume 7.67522E+06 ppm1 7.566 ppm2 4.115
ASSI { 192}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 16 and name H2''))
3.000 1.200 0.200 peak 192 weight 1.00000E+00 volume 3.02124E+07 ppm1 5.948 ppm2 2.017
ASSI { 212}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H5''))
4.500 2.000 0.300 peak 212 weight 1.00000E+00 volume 4.04696E+06 ppm1 7.603 ppm2 3.139
ASSI { 81}
(( segid " A" and resid 14 and name H2''))
(( segid " A" and resid 15 and name H8 ))
4.500 2.000 0.300 peak 81 weight 1.00000E+00 volume 4.96838E+06 ppm1 8.354 ppm2 2.607
ASSI { 63}
(( segid " A" and resid 11 and name H1' ))
(( segid " A" and resid 11 and name H3' ))
4.500 2.000 0.300 peak 63 weight 1.00000E+00 volume 6.91228E+06 ppm1 6.065 ppm2 5.019
ASSI { 8}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H1' ))
4.500 2.000 0.300 peak 8 weight 1.00000E+00 volume 1.58288E+07 ppm1 7.582 ppm2 5.992
ASSI { 35}
(( segid " A" and resid 16 and name H6 ))
(( segid " A" and resid 15 and name H1' ))
6.500 2.500 0.000 peak 35 weight 1.00000E+00 volume 1.66289E+06 ppm1 7.434 ppm2 6.327
ASSI { 224}
(( segid " A" and resid 14 and name H1' ))
(( segid " A" and resid 14 and name H4' ))
4.500 2.000 0.300 peak 224 weight 1.00000E+00 volume 2.02060E+07 ppm1 6.163 ppm2 4.252
ASSI { 399}
(( segid " A" and resid 5 and name H5''))
(( segid " A" and resid 5 and name H2''))
4.500 2.000 0.300 peak 399 weight 1.00000E+00 volume 3.25838E+06 ppm1 4.281 ppm2 2.300
ASSI { 255}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H2''))
3.000 1.200 0.200 peak 255 weight 1.00000E+00 volume 5.40559E+07 ppm1 7.933 ppm2 2.688
ASSI { 41}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H8 ))
6.500 2.500 0.000 peak 41 weight 1.00000E+00 volume 1.52252E+06 ppm1 11.218 ppm2 8.032
ASSI { 39}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 18 and name H8 ))
4.500 2.000 0.300 peak 39 weight 1.00000E+00 volume 3.42636E+06 ppm1 11.828 ppm2 8.064
ASSI { 6}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 3 and name H8 ))
4.500 2.000 0.300 peak 6 weight 1.00000E+00 volume 4.10807E+06 ppm1 11.211 ppm2 7.481
ASSI { 163}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H5''))
4.500 2.000 0.300 peak 163 weight 1.00000E+00 volume 5.96128E+06 ppm1 6.453 ppm2 4.194
ASSI { 314}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H2''))
3.000 1.200 0.200 peak 314 weight 1.00000E+00 volume 4.01682E+07 ppm1 6.171 ppm2 2.745
ASSI { 340}
(( segid " A" and resid 5 and name H2''))
(( segid " A" and resid 5 and name H2' ))
3.000 1.200 0.200 peak 340 weight 1.00000E+00 volume 5.77181E+07 ppm1 2.629 ppm2 2.300
ASSI { 422}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H2''))
6.500 2.500 0.000 peak 422 weight 1.00000E+00 volume 9.93280E+05 ppm1 11.080 ppm2 2.850
ASSI { 106}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H5''))
4.500 2.000 0.300 peak 106 weight 1.00000E+00 volume 3.85479E+06 ppm1 7.791 ppm2 3.549
ASSI { 139}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H1' ))
4.500 2.000 0.300 peak 139 weight 1.00000E+00 volume 1.10218E+07 ppm1 6.091 ppm2 4.230
ASSI { 52}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H1' ))
4.500 2.000 0.300 peak 52 weight 1.00000E+00 volume 1.85684E+07 ppm1 7.584 ppm2 6.175
ASSI { 321}
(( segid " A" and resid 9 and name H8 ))
(( segid " A" and resid 9 and name H3' ))
6.500 2.500 0.000 peak 321 weight 1.00000E+00 volume 3.36647E+06 ppm1 7.561 ppm2 4.906
ASSI { 511}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 13 and name H3' ))
6.500 2.500 0.000 peak 511 weight 1.00000E+00 volume 2.18827E+06 ppm1 8.157 ppm2 4.610
ASSI { 115}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H5''))
4.500 2.000 0.300 peak 115 weight 1.00000E+00 volume 7.53485E+06 ppm1 7.477 ppm2 4.095
ASSI { 408}
(( segid " A" and resid 6 and name H5' ))
(( segid " A" and resid 5 and name H2' ))
4.500 2.000 0.300 peak 408 weight 1.00000E+00 volume 1.53371E+07 ppm1 4.125 ppm2 2.634
ASSI { 30}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H1' ))
4.500 2.000 0.300 peak 30 weight 1.00000E+00 volume 1.28361E+07 ppm1 7.602 ppm2 6.213
ASSI { 277}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H3' ))
4.500 2.000 0.300 peak 277 weight 1.00000E+00 volume 1.02975E+07 ppm1 6.172 ppm2 5.069
ASSI { 315}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 7 and name H3' ))
4.500 2.000 0.300 peak 315 weight 1.00000E+00 volume 1.13054E+07 ppm1 5.075 ppm2 2.598
ASSI { 98}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H2' ))
4.500 2.000 0.300 peak 98 weight 1.00000E+00 volume 1.73640E+07 ppm1 7.815 ppm2 2.195
ASSI { 138}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H4' ))
4.500 2.000 0.300 peak 138 weight 1.00000E+00 volume 1.53086E+07 ppm1 6.083 ppm2 4.371
ASSI { 7}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 20 and name H1 ))
4.500 2.000 0.300 peak 7 weight 1.00000E+00 volume 3.38972E+06 ppm1 10.685 ppm2 7.478
ASSI { 85}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 13 and name H4' ))
4.500 2.000 0.300 peak 85 weight 1.00000E+00 volume 1.38305E+07 ppm1 8.156 ppm2 3.782
ASSI { 65}
(( segid " A" and resid 6 and name H3' ))
(( segid " A" and resid 6 and name H1' ))
4.500 2.000 0.300 peak 65 weight 1.00000E+00 volume 1.08203E+07 ppm1 6.092 ppm2 5.087
ASSI { 358}
(( segid " A" and resid 4 and name H3' ))
(( segid " A" and resid 4 and name H5''))
4.500 2.000 0.300 peak 358 weight 1.00000E+00 volume 1.67780E+07 ppm1 5.016 ppm2 4.196
ASSI { 122}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
4.500 2.000 0.300 peak 122 weight 1.00000E+00 volume 8.00511E+06 ppm1 7.583 ppm2 4.820
ASSI { 260}
(( segid " A" and resid 18 and name H4' ))
(( segid " A" and resid 18 and name H8 ))
4.500 2.000 0.300 peak 260 weight 1.00000E+00 volume 4.44414E+06 ppm1 8.064 ppm2 4.394
ASSI { 318}
(( segid " A" and resid 4 and name H3' ))
(( segid " A" and resid 4 and name H2''))
4.500 2.000 0.300 peak 318 weight 1.00000E+00 volume 1.43958E+07 ppm1 5.019 ppm2 2.685
ASSI { 209}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 13 and name H1' ))
6.500 2.500 0.000 peak 209 weight 1.00000E+00 volume 2.47849E+06 ppm1 6.215 ppm2 3.137
ASSI { 143}
(( segid " A" and resid 6 and name H2''))
(( segid " A" and resid 6 and name H8 ))
4.500 2.000 0.300 peak 143 weight 1.00000E+00 volume 1.19635E+07 ppm1 7.959 ppm2 2.836
ASSI { 393}
(( segid " A" and resid 2 and name H4' ))
(( segid " A" and resid 2 and name H2''))
4.500 2.000 0.300 peak 393 weight 1.00000E+00 volume 4.47295E+06 ppm1 4.346 ppm2 2.623
ASSI { 239}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H5''))
4.500 2.000 0.300 peak 239 weight 1.00000E+00 volume 1.95731E+07 ppm1 7.841 ppm2 4.180
ASSI { 366}
(( segid " A" and resid 5 and name H2''))
(( segid " A" and resid 5 and name H3' ))
4.500 2.000 0.300 peak 366 weight 1.00000E+00 volume 7.89960E+06 ppm1 4.984 ppm2 2.300
ASSI { 18}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H6 ))
4.500 2.000 0.300 peak 18 weight 1.00000E+00 volume 1.59735E+07 ppm1 7.879 ppm2 6.455
ASSI { 243}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 20 and name H5''))
4.500 2.000 0.300 peak 243 weight 1.00000E+00 volume 2.32606E+07 ppm1 5.904 ppm2 4.027
ASSI { 269}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 21 and name H4' ))
4.500 2.000 0.300 peak 269 weight 1.00000E+00 volume 1.71107E+07 ppm1 5.808 ppm2 4.193
ASSI { 93}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H5''))
4.500 2.000 0.300 peak 93 weight 1.00000E+00 volume 1.16266E+07 ppm1 7.675 ppm2 4.031
ASSI { 130}
(( segid " A" and resid 5 and name H5''))
(( segid " A" and resid 5 and name H1' ))
4.500 2.000 0.300 peak 130 weight 1.00000E+00 volume 3.99280E+06 ppm1 6.384 ppm2 4.275
ASSI { 261}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H5''))
4.500 2.000 0.300 peak 261 weight 1.00000E+00 volume 7.10326E+06 ppm1 5.985 ppm2 4.115
ASSI { 200}
(( segid " A" and resid 11 and name H1' ))
(( segid " A" and resid 11 and name H5''))
4.500 2.000 0.300 peak 200 weight 1.00000E+00 volume 5.46567E+06 ppm1 6.072 ppm2 4.240
ASSI { 423}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 19 and name H2''))
4.500 2.000 0.300 peak 423 weight 1.00000E+00 volume 4.42605E+06 ppm1 11.102 ppm2 2.661
ASSI { 376}
(( segid " A" and resid 19 and name H5''))
(( segid " A" and resid 19 and name H5' ))
3.000 1.200 0.200 peak 376 weight 1.00000E+00 volume 6.56744E+07 ppm1 4.317 ppm2 4.179
ASSI { 68}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 14 and name H3' ))
6.500 2.500 0.000 peak 68 weight 1.00000E+00 volume 3.56427E+06 ppm1 8.355 ppm2 4.798
ASSI { 575}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 8 and name H3' ))
4.500 2.000 0.300 peak 575 weight 1.00000E+00 volume 2.24395E+07 ppm1 7.880 ppm2 5.073
ASSI { 279}
(( segid " A" and resid 10 and name H1' ))
(( segid " A" and resid 10 and name H3' ))
4.500 2.000 0.300 peak 279 weight 1.00000E+00 volume 9.19009E+06 ppm1 5.648 ppm2 4.523
ASSI { 557}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H1' ))
4.500 2.000 0.300 peak 557 weight 1.00000E+00 volume 1.60354E+07 ppm1 7.476 ppm2 5.938
ASSI { 352}
(( segid " A" and resid 20 and name H2''))
(( segid " A" and resid 20 and name H2' ))
3.000 1.200 0.200 peak 352 weight 1.00000E+00 volume 3.28717E+07 ppm1 2.652 ppm2 2.385
ASSI { 342}
(( segid " A" and resid 6 and name H2''))
(( segid " A" and resid 6 and name H2' ))
3.000 1.200 0.200 peak 342 weight 1.00000E+00 volume 2.44159E+07 ppm1 2.845 ppm2 2.300
ASSI { 339}
(( segid " A" and resid 8 and name H2''))
(( segid " A" and resid 8 and name H2' ))
3.000 1.200 0.200 peak 339 weight 1.00000E+00 volume 6.63476E+07 ppm1 2.532 ppm2 2.433
ASSI { 100}
(( segid " A" and resid 21 and name H2' ))
(( segid " A" and resid 21 and name H8 ))
3.000 1.200 0.200 peak 100 weight 1.00000E+00 volume 5.62231E+07 ppm1 7.675 ppm2 2.237
ASSI { 28}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 12 and name H8 ))
6.500 2.500 0.000 peak 28 weight 1.00000E+00 volume 5.78296E+05 ppm1 11.825 ppm2 7.846
ASSI { 213}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H4' ))
4.500 2.000 0.300 peak 213 weight 1.00000E+00 volume 3.67306E+06 ppm1 7.607 ppm2 3.784
ASSI { 75}
(( segid " A" and resid 15 and name H4' ))
(( segid " A" and resid 15 and name H8 ))
6.500 2.500 0.000 peak 75 weight 1.00000E+00 volume 1.76361E+06 ppm1 8.353 ppm2 4.420
ASSI { 295}
(( segid " A" and resid 8 and name H3' ))
(( segid " A" and resid 8 and name H2' ))
4.500 2.000 0.300 peak 295 weight 1.00000E+00 volume 1.93563E+07 ppm1 5.083 ppm2 2.426
ASSI { 148}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H5''))
4.500 2.000 0.300 peak 148 weight 1.00000E+00 volume 9.14324E+06 ppm1 7.891 ppm2 4.340
ASSI { 484}
(( segid " A" and resid 11 and name H8 ))
(( segid " A" and resid 12 and name H8 ))
4.500 2.000 0.300 peak 484 weight 1.00000E+00 volume 5.01277E+06 ppm1 7.991 ppm2 7.852
ASSI { 156}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H2''))
4.500 2.000 0.300 peak 156 weight 1.00000E+00 volume 1.63306E+07 ppm1 7.899 ppm2 2.754
ASSI { 298}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H2''))
3.000 1.200 0.200 peak 298 weight 1.00000E+00 volume 3.93020E+07 ppm1 6.216 ppm2 2.370
ASSI { 395}
(( segid " A" and resid 14 and name H2' ))
(( segid " A" and resid 15 and name H4' ))
6.500 2.500 0.000 peak 395 weight 1.00000E+00 volume 2.30461E+06 ppm1 4.419 ppm2 2.730
ASSI { 218}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 12 and name H2''))
3.000 1.200 0.200 peak 218 weight 1.00000E+00 volume 4.00535E+07 ppm1 5.913 ppm2 2.516
ASSI { 483}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H8 ))
6.500 2.500 0.000 peak 483 weight 1.00000E+00 volume 2.69589E+06 ppm1 7.911 ppm2 7.472
ASSI { 109}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H5''))
4.500 2.000 0.300 peak 109 weight 1.00000E+00 volume 1.25357E+07 ppm1 7.917 ppm2 4.013
ASSI { 424}
(( segid " A" and resid 12 and name H2''))
(( segid " A" and resid 9 and name H1 ))
4.500 2.000 0.300 peak 424 weight 1.00000E+00 volume 6.25462E+06 ppm1 11.121 ppm2 2.516
ASSI { 149}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H5' ))
4.500 2.000 0.300 peak 149 weight 1.00000E+00 volume 1.22796E+07 ppm1 7.894 ppm2 4.220
ASSI { 371}
(( segid " A" and resid 3 and name H5''))
(( segid " A" and resid 3 and name H4' ))
4.500 2.000 0.300 peak 371 weight 1.00000E+00 volume 7.40520E+06 ppm1 4.420 ppm2 4.086
ASSI { 478}
(( segid " A" and resid 10 and name H1' ))
(( segid " A" and resid 9 and name H1 ))
4.500 2.000 0.300 peak 478 weight 1.00000E+00 volume 3.91134E+06 ppm1 11.140 ppm2 5.652
ASSI { 199}
(( segid " A" and resid 11 and name H1' ))
(( segid " A" and resid 11 and name H5' ))
4.500 2.000 0.300 peak 199 weight 1.00000E+00 volume 1.16016E+07 ppm1 6.073 ppm2 4.191
ASSI { 559}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 6 and name H1' ))
3.000 1.200 0.200 peak 559 weight 1.00000E+00 volume 2.49320E+07 ppm1 7.902 ppm2 6.102
ASSI { 312}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 1 and name H2''))
3.000 1.200 0.200 peak 312 weight 1.00000E+00 volume 2.73069E+07 ppm1 5.823 ppm2 2.500
ASSI { 169}
(( segid " A" and resid 8 and name H6 ))
( segid " A" and resid 8 and name H5# )
3.000 1.200 0.200 peak 169 weight 1.00000E+00 volume 7.55947E+07 ppm1 7.879 ppm2 1.871
ASSI { 336}
(( segid " A" and resid 22 and name H2''))
(( segid " A" and resid 22 and name H2' ))
3.000 1.200 0.200 peak 336 weight 1.00000E+00 volume 6.67677E+07 ppm1 2.294 ppm2 2.185
ASSI { 174}
(( segid " A" and resid 9 and name H8 ))
(( segid " A" and resid 9 and name H5' ))
3.000 1.200 0.200 peak 174 weight 1.00000E+00 volume 3.81037E+07 ppm1 7.565 ppm2 4.312
ASSI { 88}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H5''))
4.500 2.000 0.300 peak 88 weight 1.00000E+00 volume 6.90558E+06 ppm1 7.808 ppm2 4.029
ASSI { 153}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H2' ))
3.000 1.200 0.200 peak 153 weight 1.00000E+00 volume 5.20221E+07 ppm1 6.173 ppm2 2.596
ASSI { 225}
(( segid " A" and resid 14 and name H5''))
(( segid " A" and resid 14 and name H1' ))
6.500 2.500 0.000 peak 225 weight 1.00000E+00 volume 2.82369E+06 ppm1 6.160 ppm2 4.031
ASSI { 397}
(( segid " A" and resid 21 and name H2''))
(( segid " A" and resid 21 and name H4' ))
4.500 2.000 0.300 peak 397 weight 1.00000E+00 volume 1.66282E+07 ppm1 4.191 ppm2 2.395
ASSI { 515}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2''))
3.000 1.200 0.200 peak 515 weight 1.00000E+00 volume 4.06966E+07 ppm1 7.489 ppm2 2.384
ASSI { 369}
(( segid " A" and resid 22 and name H2''))
(( segid " A" and resid 22 and name H1' ))
4.500 2.000 0.300 peak 369 weight 1.00000E+00 volume 1.63311E+07 ppm1 5.907 ppm2 2.294
ASSI { 417}
(( segid " A" and resid 21 and name H2''))
(( segid " A" and resid 21 and name H5''))
4.500 2.000 0.300 peak 417 weight 1.00000E+00 volume 1.80769E+07 ppm1 4.031 ppm2 2.383
ASSI { 294}
(( segid " A" and resid 6 and name H3' ))
(( segid " A" and resid 6 and name H2''))
4.500 2.000 0.300 peak 294 weight 1.00000E+00 volume 1.54648E+07 ppm1 5.089 ppm2 2.849
ASSI { 380}
(( segid " A" and resid 16 and name H5''))
(( segid " A" and resid 16 and name H5' ))
3.000 1.200 0.200 peak 380 weight 1.00000E+00 volume 8.64144E+07 ppm1 4.172 ppm2 4.013
ASSI { 421}
(( segid " A" and resid 3 and name H1 ))
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6.500 2.500 0.000 peak 421 weight 1.00000E+00 volume 1.49990E+06 ppm1 11.076 ppm2 2.296
ASSI { 249}
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(( segid " A" and resid 19 and name H3' ))
4.500 2.000 0.300 peak 249 weight 1.00000E+00 volume 1.75127E+07 ppm1 4.985 ppm2 4.185
ASSI { 12}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H8 ))
4.500 2.000 0.300 peak 12 weight 1.00000E+00 volume 4.74108E+06 ppm1 7.959 ppm2 6.093
ASSI { 274}
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(( segid " A" and resid 16 and name H5' ))
4.500 2.000 0.300 peak 274 weight 1.00000E+00 volume 7.30983E+06 ppm1 5.938 ppm2 4.009
ASSI { 129}
(( segid " A" and resid 5 and name H3' ))
(( segid " A" and resid 5 and name H1' ))
4.500 2.000 0.300 peak 129 weight 1.00000E+00 volume 8.33869E+06 ppm1 6.385 ppm2 4.981
ASSI { 265}
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(( segid " A" and resid 18 and name H2''))
4.500 2.000 0.300 peak 265 weight 1.00000E+00 volume 1.80611E+07 ppm1 5.984 ppm2 2.606
ASSI { 237}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 16 and name H3' ))
4.500 2.000 0.300 peak 237 weight 1.00000E+00 volume 1.08649E+07 ppm1 5.944 ppm2 4.976
ASSI { 11}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H5 ))
3.000 1.200 0.200 peak 11 weight 1.00000E+00 volume 6.08789E+07 ppm1 7.912 ppm2 6.086
ASSI { 529}
(( segid " A" and resid 6 and name H3' ))
(( segid " A" and resid 5 and name H1' ))
4.500 2.000 0.300 peak 529 weight 1.00000E+00 volume 7.49631E+06 ppm1 6.365 ppm2 5.090
ASSI { 144}
(( segid " A" and resid 6 and name H2' ))
(( segid " A" and resid 6 and name H8 ))
4.500 2.000 0.300 peak 144 weight 1.00000E+00 volume 1.87035E+07 ppm1 7.958 ppm2 2.296
ASSI { 578}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 18 and name H3' ))
4.500 2.000 0.300 peak 578 weight 1.00000E+00 volume 9.71312E+06 ppm1 7.833 ppm2 4.947
ASSI { 50}
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(( segid " A" and resid 22 and name H1' ))
4.500 2.000 0.300 peak 50 weight 1.00000E+00 volume 1.58537E+07 ppm1 7.818 ppm2 5.910
ASSI { 42}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H1' ))
4.500 2.000 0.300 peak 42 weight 1.00000E+00 volume 1.72674E+07 ppm1 7.835 ppm2 5.962
ASSI { 252}
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(( segid " A" and resid 17 and name H5''))
6.500 2.500 0.000 peak 252 weight 1.00000E+00 volume 2.38338E+06 ppm1 6.132 ppm2 3.990
ASSI { 516}
(( segid " A" and resid 20 and name H2' ))
(( segid " A" and resid 20 and name H8 ))
3.000 1.200 0.200 peak 516 weight 1.00000E+00 volume 4.10391E+07 ppm1 7.503 ppm2 2.383
ASSI { 121}
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(( segid " A" and resid 4 and name H3' ))
4.500 2.000 0.300 peak 121 weight 1.00000E+00 volume 1.68334E+07 ppm1 7.583 ppm2 5.021
ASSI { 308}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H5' ))
4.500 2.000 0.300 peak 308 weight 1.00000E+00 volume 1.57350E+07 ppm1 5.990 ppm2 4.198
ASSI { 183}
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(( segid " A" and resid 10 and name H5''))
4.500 2.000 0.300 peak 183 weight 1.00000E+00 volume 8.29523E+06 ppm1 7.313 ppm2 4.227
ASSI { 31}
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(( segid " A" and resid 9 and name H1 ))
4.500 2.000 0.300 peak 31 weight 1.00000E+00 volume 4.83877E+06 ppm1 11.123 ppm2 7.599
ASSI { 83}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H4' ))
4.500 2.000 0.300 peak 83 weight 1.00000E+00 volume 3.74739E+06 ppm1 8.157 ppm2 4.267
ASSI { 347}
(( segid " A" and resid 18 and name H2''))
(( segid " A" and resid 18 and name H2' ))
3.000 1.200 0.200 peak 347 weight 1.00000E+00 volume 4.39669E+07 ppm1 2.856 ppm2 2.621
ASSI { 96}
(( segid " A" and resid 19 and name H3' ))
(( segid " A" and resid 20 and name H8 ))
4.500 2.000 0.300 peak 96 weight 1.00000E+00 volume 8.48037E+06 ppm1 7.507 ppm2 4.977
ASSI { 330}
(( segid " A" and resid 18 and name H2''))
(( segid " A" and resid 18 and name H3' ))
4.500 2.000 0.300 peak 330 weight 1.00000E+00 volume 4.92801E+06 ppm1 4.946 ppm2 2.607
ASSI { 76}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H5''))
4.500 2.000 0.300 peak 76 weight 1.00000E+00 volume 5.45026E+06 ppm1 8.353 ppm2 4.192
ASSI { 278}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H3' ))
4.500 2.000 0.300 peak 278 weight 1.00000E+00 volume 8.78950E+06 ppm1 5.991 ppm2 4.819
ASSI { 509}
(( segid " A" and resid 21 and name H5''))
(( segid " A" and resid 20 and name H8 ))
6.500 2.500 0.000 peak 509 weight 1.00000E+00 volume 2.16196E+06 ppm1 7.508 ppm2 4.028
ASSI { 111}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H8 ))
3.000 1.200 0.200 peak 111 weight 1.00000E+00 volume 8.09376E+07 ppm1 7.916 ppm2 2.637
ASSI { 280}
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(( segid " A" and resid 10 and name H1' ))
4.500 2.000 0.300 peak 280 weight 1.00000E+00 volume 1.37658E+07 ppm1 5.648 ppm2 4.313
ASSI { 437}
(( segid " A" and resid 9 and name H1 ))
(( segid " A" and resid 10 and name H6 ))
6.500 2.500 0.000 peak 437 weight 1.00000E+00 volume 1.75461E+06 ppm1 11.131 ppm2 7.328
ASSI { 117}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H2' ))
4.500 2.000 0.300 peak 117 weight 1.00000E+00 volume 2.42532E+07 ppm1 7.479 ppm2 2.870
ASSI { 43}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 19 and name H8 ))
4.500 2.000 0.300 peak 43 weight 1.00000E+00 volume 3.98540E+06 ppm1 11.364 ppm2 7.826
ASSI { 80}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H2' ))
3.000 1.200 0.200 peak 80 weight 1.00000E+00 volume 2.84865E+07 ppm1 8.156 ppm2 2.709
ASSI { 49}
(( segid " A" and resid 22 and name H1' ))
(( segid " A" and resid 22 and name H2 ))
4.500 2.000 0.300 peak 49 weight 1.00000E+00 volume 4.94180E+06 ppm1 7.363 ppm2 5.906
ASSI { 166}
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(( segid " A" and resid 8 and name H2''))
3.000 1.200 0.200 peak 166 weight 1.00000E+00 volume 4.51481E+07 ppm1 6.454 ppm2 2.532
ASSI { 404}
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(( segid " A" and resid 13 and name H2''))
4.500 2.000 0.300 peak 404 weight 1.00000E+00 volume 8.72524E+06 ppm1 3.781 ppm2 2.360
ASSI { 443}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 2 and name H1 ))
6.500 2.500 0.000 peak 443 weight 1.00000E+00 volume 7.35408E+05 ppm1 11.603 ppm2 11.205
ASSI { 257}
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(( segid " A" and resid 17 and name H5''))
4.500 2.000 0.300 peak 257 weight 1.00000E+00 volume 8.70312E+06 ppm1 7.934 ppm2 3.990
ASSI { 396}
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(( segid " A" and resid 12 and name H2''))
4.500 2.000 0.300 peak 396 weight 1.00000E+00 volume 8.91761E+06 ppm1 4.314 ppm2 2.517
ASSI { 303}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 20 and name H2''))
4.500 2.000 0.300 peak 303 weight 1.00000E+00 volume 2.35958E+07 ppm1 7.674 ppm2 2.652
ASSI { 383}
(( segid " A" and resid 17 and name H5''))
(( segid " A" and resid 17 and name H5' ))
3.000 1.200 0.200 peak 383 weight 1.00000E+00 volume 7.13693E+07 ppm1 3.976 ppm2 3.826
ASSI { 235}
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(( segid " A" and resid 15 and name H2''))
3.000 1.200 0.200 peak 235 weight 1.00000E+00 volume 3.31745E+07 ppm1 6.335 ppm2 2.709
ASSI { 10}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H8 ))
4.500 2.000 0.300 peak 10 weight 1.00000E+00 volume 1.39752E+07 ppm1 7.917 ppm2 5.921
ASSI { 373}
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(( segid " A" and resid 6 and name H4' ))
3.000 1.200 0.200 peak 373 weight 1.00000E+00 volume 4.55769E+07 ppm1 4.379 ppm2 4.133
ASSI { 132}
(( segid " A" and resid 5 and name H5' ))
(( segid " A" and resid 5 and name H1' ))
4.500 2.000 0.300 peak 132 weight 1.00000E+00 volume 4.96818E+06 ppm1 6.383 ppm2 4.171
ASSI { 420}
(( segid " A" and resid 20 and name H1 ))
(( segid " A" and resid 3 and name H2''))
6.500 2.500 0.000 peak 420 weight 1.00000E+00 volume 2.47833E+06 ppm1 10.684 ppm2 2.384
ASSI { 216}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H2' ))
3.000 1.200 0.200 peak 216 weight 1.00000E+00 volume 4.08928E+07 ppm1 7.838 ppm2 2.873
ASSI { 176}
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(( segid " A" and resid 9 and name H1' ))
6.500 2.500 0.000 peak 176 weight 1.00000E+00 volume 2.58323E+06 ppm1 6.362 ppm2 4.120
ASSI { 5}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H8 ))
4.500 2.000 0.300 peak 5 weight 1.00000E+00 volume 6.99093E+06 ppm1 7.477 ppm2 5.994
ASSI { 77}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H2' ))
3.000 1.200 0.200 peak 77 weight 1.00000E+00 volume 5.04583E+07 ppm1 8.353 ppm2 2.868
ASSI { 205}
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(( segid " A" and resid 11 and name H8 ))
4.500 2.000 0.300 peak 205 weight 1.00000E+00 volume 8.58339E+06 ppm1 8.033 ppm2 2.898
ASSI { 428}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 2 and name H2' ))
6.500 2.500 0.000 peak 428 weight 1.00000E+00 volume 1.72626E+06 ppm1 11.210 ppm2 2.875
ASSI { 92}
(( segid " A" and resid 21 and name H4' ))
(( segid " A" and resid 21 and name H8 ))
4.500 2.000 0.300 peak 92 weight 1.00000E+00 volume 5.14866E+06 ppm1 7.676 ppm2 4.193
ASSI { 271}
(( segid " A" and resid 16 and name H6 ))
(( segid " A" and resid 16 and name H4' ))
4.500 2.000 0.300 peak 271 weight 1.00000E+00 volume 7.56047E+06 ppm1 7.433 ppm2 4.678
ASSI { 573}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 5 and name H3' ))
6.500 2.500 0.000 peak 573 weight 1.00000E+00 volume 1.83392E+06 ppm1 7.962 ppm2 4.978
ASSI { 23}
(( segid " A" and resid 11 and name H1' ))
(( segid " A" and resid 12 and name H8 ))
4.500 2.000 0.300 peak 23 weight 1.00000E+00 volume 5.98983E+06 ppm1 7.847 ppm2 6.069
ASSI { 232}
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(( segid " A" and resid 15 and name H5' ))
4.500 2.000 0.300 peak 232 weight 1.00000E+00 volume 3.80956E+06 ppm1 6.337 ppm2 4.020
ASSI { 32}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H1' ))
4.500 2.000 0.300 peak 32 weight 1.00000E+00 volume 2.51592E+07 ppm1 8.156 ppm2 6.160
ASSI { 204}
(( segid " A" and resid 11 and name H2''))
(( segid " A" and resid 11 and name H8 ))
4.500 2.000 0.300 peak 204 weight 1.00000E+00 volume 1.72442E+07 ppm1 8.032 ppm2 2.512
ASSI { 293}
(( segid " A" and resid 6 and name H3' ))
(( segid " A" and resid 6 and name H2' ))
4.500 2.000 0.300 peak 293 weight 1.00000E+00 volume 1.87312E+07 ppm1 5.090 ppm2 2.300
ASSI { 262}
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(( segid " A" and resid 18 and name H5''))
4.500 2.000 0.300 peak 262 weight 1.00000E+00 volume 2.64927E+07 ppm1 8.065 ppm2 4.124
ASSI { 25}
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(( segid " A" and resid 12 and name H8 ))
4.500 2.000 0.300 peak 25 weight 1.00000E+00 volume 1.22564E+07 ppm1 7.851 ppm2 5.916
ASSI { 168}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 8 and name H2' ))
3.000 1.200 0.200 peak 168 weight 1.00000E+00 volume 5.92213E+07 ppm1 7.880 ppm2 2.427
ASSI { 56}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H3' ))
4.500 2.000 0.300 peak 56 weight 1.00000E+00 volume 1.28602E+07 ppm1 8.354 ppm2 4.994
ASSI { 27}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 12 and name H8 ))
4.500 2.000 0.300 peak 27 weight 1.00000E+00 volume 3.45084E+06 ppm1 11.212 ppm2 7.841
ASSI { 198}
(( segid " A" and resid 11 and name H8 ))
(( segid " A" and resid 11 and name H5' ))
4.500 2.000 0.300 peak 198 weight 1.00000E+00 volume 1.30371E+07 ppm1 8.031 ppm2 4.209
ASSI { 451}
(( segid " A" and resid 20 and name H1 ))
(( segid " A" and resid 3 and name H2' ))
6.500 2.500 0.000 peak 451 weight 1.00000E+00 volume 1.86734E+06 ppm1 10.682 ppm2 2.759
ASSI { 162}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H5' ))
6.500 2.500 0.000 peak 162 weight 1.00000E+00 volume 2.38994E+06 ppm1 6.456 ppm2 4.350
ASSI { 497}
(( segid " A" and resid 14 and name H2''))
(( segid " A" and resid 13 and name H4' ))
6.500 2.500 0.000 peak 497 weight 1.00000E+00 volume 1.93347E+06 ppm1 3.779 ppm2 2.606
ASSI { 555}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 11 and name H22 ))
6.500 2.500 0.000 peak 555 weight 1.00000E+00 volume 1.05165E+06 ppm1 6.914 ppm2 5.919
ASSI { 527}
(( segid " A" and resid 4 and name H2' ))
(( segid " A" and resid 22 and name H2 ))
4.500 2.000 0.300 peak 527 weight 1.00000E+00 volume 3.99108E+06 ppm1 7.357 ppm2 2.574
ASSI { 194}
(( segid " A" and resid 16 and name H6 ))
( segid " A" and resid 16 and name H5# )
3.000 1.200 0.200 peak 194 weight 1.00000E+00 volume 5.37538E+07 ppm1 7.432 ppm2 1.795
ASSI { 272}
(( segid " A" and resid 16 and name H6 ))
(( segid " A" and resid 16 and name H5''))
4.500 2.000 0.300 peak 272 weight 1.00000E+00 volume 5.39567E+06 ppm1 7.433 ppm2 4.169
ASSI { 354}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 20 and name H2''))
3.000 1.200 0.200 peak 354 weight 1.00000E+00 volume 3.83890E+07 ppm1 5.910 ppm2 2.657
ASSI { 172}
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(( segid " A" and resid 9 and name H4' ))
4.500 2.000 0.300 peak 172 weight 1.00000E+00 volume 6.15403E+06 ppm1 7.568 ppm2 4.545
ASSI { 367}
(( segid " A" and resid 17 and name H2''))
(( segid " A" and resid 17 and name H3' ))
4.500 2.000 0.300 peak 367 weight 1.00000E+00 volume 2.04507E+07 ppm1 4.978 ppm2 2.658
ASSI { 158}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H4' ))
4.500 2.000 0.300 peak 158 weight 1.00000E+00 volume 1.41326E+07 ppm1 6.181 ppm2 4.523
ASSI { 114}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H4' ))
4.500 2.000 0.300 peak 114 weight 1.00000E+00 volume 3.74131E+06 ppm1 7.482 ppm2 4.421
ASSI { 304}
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(( segid " A" and resid 17 and name H8 ))
4.500 2.000 0.300 peak 304 weight 1.00000E+00 volume 7.16756E+06 ppm1 7.939 ppm2 1.542
ASSI { 90}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 20 and name H3' ))
4.500 2.000 0.300 peak 90 weight 1.00000E+00 volume 6.04461E+06 ppm1 7.676 ppm2 4.841
ASSI { 311}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H2''))
4.500 2.000 0.300 peak 311 weight 1.00000E+00 volume 1.58077E+07 ppm1 5.990 ppm2 2.383
ASSI { 438}
(( segid " A" and resid 20 and name H1 ))
(( segid " A" and resid 21 and name H8 ))
6.500 2.500 0.000 peak 438 weight 1.00000E+00 volume 1.35482E+06 ppm1 10.690 ppm2 7.684
ASSI { 344}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 13 and name H2''))
4.500 2.000 0.300 peak 344 weight 1.00000E+00 volume 3.92294E+06 ppm1 3.135 ppm2 2.358
ASSI { 208}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H4' ))
4.500 2.000 0.300 peak 208 weight 1.00000E+00 volume 9.95302E+06 ppm1 6.216 ppm2 3.783
ASSI { 1}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H1' ))
3.000 1.200 0.200 peak 1 weight 1.00000E+00 volume 4.58484E+07 ppm1 7.794 ppm2 5.822
ASSI { 72}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H4' ))
4.500 2.000 0.300 peak 72 weight 1.00000E+00 volume 7.37314E+06 ppm1 7.910 ppm2 4.525
ASSI { 387}
(( segid " A" and resid 18 and name H2' ))
(( segid " A" and resid 18 and name H5''))
4.500 2.000 0.300 peak 387 weight 1.00000E+00 volume 7.16822E+06 ppm1 4.122 ppm2 2.852
ASSI { 236}
(( segid " A" and resid 16 and name H6 ))
(( segid " A" and resid 16 and name H3' ))
6.500 2.500 0.000 peak 236 weight 1.00000E+00 volume 2.54746E+06 ppm1 7.435 ppm2 4.987
ASSI { 297}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H2' ))
3.000 1.200 0.200 peak 297 weight 1.00000E+00 volume 5.17381E+07 ppm1 7.608 ppm2 2.512
ASSI { 46}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 21 and name H8 ))
4.500 2.000 0.300 peak 46 weight 1.00000E+00 volume 1.83558E+07 ppm1 7.675 ppm2 5.806
ASSI { 95}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H3' ))
4.500 2.000 0.300 peak 95 weight 1.00000E+00 volume 1.63499E+07 ppm1 7.833 ppm2 4.972
ASSI { 240}
(( segid " A" and resid 20 and name H5' ))
(( segid " A" and resid 20 and name H8 ))
4.500 2.000 0.300 peak 240 weight 1.00000E+00 volume 8.99205E+06 ppm1 7.500 ppm2 4.195
ASSI { 444}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 18 and name H1 ))
6.500 2.500 0.000 peak 444 weight 1.00000E+00 volume 9.64656E+05 ppm1 11.594 ppm2 11.340
ASSI { 210}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 13 and name H1' ))
6.500 2.500 0.000 peak 210 weight 1.00000E+00 volume 2.43186E+06 ppm1 6.216 ppm2 2.858
ASSI { 24}
(( segid " A" and resid 11 and name H8 ))
(( segid " A" and resid 6 and name H1 ))
6.500 2.500 0.000 peak 24 weight 1.00000E+00 volume 2.22780E+06 ppm1 11.791 ppm2 8.032
ASSI { 142}
(( segid " A" and resid 6 and name H5' ))
(( segid " A" and resid 6 and name H1' ))
6.500 2.500 0.000 peak 142 weight 1.00000E+00 volume 2.48275E+06 ppm1 6.100 ppm2 4.112
ASSI { 211}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H5' ))
4.500 2.000 0.300 peak 211 weight 1.00000E+00 volume 5.13392E+06 ppm1 7.603 ppm2 2.868
ASSI { 374}
(( segid " A" and resid 11 and name H5''))
(( segid " A" and resid 11 and name H4' ))
3.000 1.200 0.200 peak 374 weight 1.00000E+00 volume 4.96423E+07 ppm1 4.362 ppm2 4.225
ASSI { 250}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H2''))
3.000 1.200 0.200 peak 250 weight 1.00000E+00 volume 5.77591E+07 ppm1 7.833 ppm2 2.657
ASSI { 64}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H3' ))
4.500 2.000 0.300 peak 64 weight 1.00000E+00 volume 8.43109E+06 ppm1 5.985 ppm2 4.949
ASSI { 146}
(( segid " A" and resid 6 and name H2' ))
(( segid " A" and resid 6 and name H1' ))
3.000 1.200 0.200 peak 146 weight 1.00000E+00 volume 3.07566E+07 ppm1 6.087 ppm2 2.304
ASSI { 118}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2' ))
4.500 2.000 0.300 peak 118 weight 1.00000E+00 volume 2.10118E+07 ppm1 7.479 ppm2 2.758
ASSI { 338}
(( segid " A" and resid 1 and name H2''))
(( segid " A" and resid 1 and name H2' ))
3.000 1.200 0.200 peak 338 weight 1.00000E+00 volume 6.31311E+07 ppm1 2.493 ppm2 2.364
ASSI { 522}
(( segid " A" and resid 16 and name H6 ))
(( segid " A" and resid 15 and name H2''))
4.500 2.000 0.300 peak 522 weight 1.00000E+00 volume 5.91067E+06 ppm1 7.432 ppm2 2.716
ASSI { 4}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 18 and name H1 ))
6.500 2.500 0.000 peak 4 weight 1.00000E+00 volume 2.69623E+06 ppm1 11.348 ppm2 7.923
ASSI { 60}
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(( segid " A" and resid 6 and name H8 ))
4.500 2.000 0.300 peak 60 weight 1.00000E+00 volume 6.43951E+06 ppm1 7.959 ppm2 5.089
ASSI { 135}
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(( segid " A" and resid 5 and name H1' ))
4.500 2.000 0.300 peak 135 weight 1.00000E+00 volume 2.43261E+07 ppm1 6.383 ppm2 2.305
ASSI { 15}
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(( segid " A" and resid 11 and name H1 ))
6.500 2.500 0.000 peak 15 weight 1.00000E+00 volume 9.70068E+05 ppm1 11.826 ppm2 7.952
ASSI { 82}
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(( segid " A" and resid 13 and name H5' ))
4.500 2.000 0.300 peak 82 weight 1.00000E+00 volume 4.29252E+06 ppm1 8.156 ppm2 2.861
ASSI { 141}
(( segid " A" and resid 6 and name H5' ))
(( segid " A" and resid 6 and name H8 ))
4.500 2.000 0.300 peak 141 weight 1.00000E+00 volume 1.22307E+07 ppm1 7.959 ppm2 4.128
ASSI { 230}
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(( segid " A" and resid 15 and name H1' ))
4.500 2.000 0.300 peak 230 weight 1.00000E+00 volume 1.29718E+07 ppm1 6.334 ppm2 4.427
ASSI { 435}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 18 and name H2' ))
6.500 2.500 0.000 peak 435 weight 1.00000E+00 volume 1.65106E+06 ppm1 11.364 ppm2 2.860
ASSI { 87}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H3' ))
4.500 2.000 0.300 peak 87 weight 1.00000E+00 volume 6.18322E+06 ppm1 7.798 ppm2 4.720
ASSI { 448}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 20 and name H1 ))
6.500 2.500 0.000 peak 448 weight 1.00000E+00 volume 1.08097E+06 ppm1 11.090 ppm2 10.690
ASSI { 167}
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(( segid " A" and resid 8 and name H2' ))
3.000 1.200 0.200 peak 167 weight 1.00000E+00 volume 2.74621E+07 ppm1 6.454 ppm2 2.432
ASSI { 253}
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(( segid " A" and resid 17 and name H5' ))
6.500 2.500 0.000 peak 253 weight 1.00000E+00 volume 2.19243E+06 ppm1 6.131 ppm2 3.828
ASSI { 242}
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(( segid " A" and resid 20 and name H4' ))
4.500 2.000 0.300 peak 242 weight 1.00000E+00 volume 1.13336E+07 ppm1 5.899 ppm2 4.396
ASSI { 348}
(( segid " A" and resid 15 and name H2''))
(( segid " A" and resid 15 and name H2' ))
3.000 1.200 0.200 peak 348 weight 1.00000E+00 volume 5.35294E+07 ppm1 2.863 ppm2 2.715
ASSI { 3}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H6 ))
4.500 2.000 0.300 peak 3 weight 1.00000E+00 volume 7.19639E+06 ppm1 7.913 ppm2 6.376
ASSI { 61}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 15 and name H3' ))
4.500 2.000 0.300 peak 61 weight 1.00000E+00 volume 5.50640E+06 ppm1 6.334 ppm2 4.989
ASSI { 386}
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(( segid " A" and resid 13 and name H4' ))
3.000 1.200 0.200 peak 386 weight 1.00000E+00 volume 4.31303E+07 ppm1 3.781 ppm2 2.864
ASSI { 55}
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(( segid " A" and resid 10 and name H1' ))
4.500 2.000 0.300 peak 55 weight 1.00000E+00 volume 1.16168E+07 ppm1 7.565 ppm2 5.652
ASSI { 382}
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(( segid " A" and resid 14 and name H5' ))
3.000 1.200 0.200 peak 382 weight 1.00000E+00 volume 1.10551E+08 ppm1 4.029 ppm2 3.923
ASSI { 94}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 20 and name H3' ))
4.500 2.000 0.300 peak 94 weight 1.00000E+00 volume 1.50875E+07 ppm1 7.503 ppm2 4.841
ASSI { 51}
(( segid " A" and resid 9 and name H8 ))
(( segid " A" and resid 9 and name H1' ))
4.500 2.000 0.300 peak 51 weight 1.00000E+00 volume 1.47748E+07 ppm1 7.565 ppm2 6.365
ASSI { 351}
(( segid " A" and resid 14 and name H2''))
(( segid " A" and resid 14 and name H2' ))
3.000 1.200 0.200 peak 351 weight 1.00000E+00 volume 5.03259E+07 ppm1 2.703 ppm2 2.616
ASSI { 361}
(( segid " A" and resid 5 and name H3' ))
(( segid " A" and resid 5 and name H4' ))
4.500 2.000 0.300 peak 361 weight 1.00000E+00 volume 8.31760E+06 ppm1 4.986 ppm2 4.521
ASSI { 289}
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(( segid " A" and resid 8 and name H3' ))
3.000 1.200 0.200 peak 289 weight 1.00000E+00 volume 3.45365E+07 ppm1 5.082 ppm2 4.348
ASSI { 66}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H3' ))
4.500 2.000 0.300 peak 66 weight 1.00000E+00 volume 1.00471E+07 ppm1 6.131 ppm2 4.976
ASSI { 576}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 17 and name H8 ))
4.500 2.000 0.300 peak 576 weight 1.00000E+00 volume 2.89610E+06 ppm1 7.937 ppm2 5.951
ASSI { 316}
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(( segid " A" and resid 7 and name H3' ))
4.500 2.000 0.300 peak 316 weight 1.00000E+00 volume 8.76170E+06 ppm1 5.075 ppm2 2.752
ASSI { 187}
(( segid " A" and resid 10 and name H2' ))
(( segid " A" and resid 10 and name H1' ))
3.000 1.200 0.200 peak 187 weight 1.00000E+00 volume 3.07539E+07 ppm1 5.648 ppm2 2.099
ASSI { 59}
(( segid " A" and resid 11 and name H3' ))
(( segid " A" and resid 11 and name H8 ))
4.500 2.000 0.300 peak 59 weight 1.00000E+00 volume 1.06663E+07 ppm1 8.030 ppm2 5.026
ASSI { 370}
(( segid " A" and resid 21 and name H4' ))
(( segid " A" and resid 22 and name H4' ))
4.500 2.000 0.300 peak 370 weight 1.00000E+00 volume 8.10780E+06 ppm1 4.452 ppm2 4.190
ASSI { 16}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H1' ))
4.500 2.000 0.300 peak 16 weight 1.00000E+00 volume 1.09164E+07 ppm1 7.901 ppm2 6.186
ASSI { 306}
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( segid " A" and resid 10 and name H5# )
6.500 2.500 0.000 peak 306 weight 1.00000E+00 volume 2.98030E+06 ppm1 7.583 ppm2 1.669
ASSI { 220}
(( segid " A" and resid 12 and name H5''))
(( segid " A" and resid 12 and name H8 ))
4.500 2.000 0.300 peak 220 weight 1.00000E+00 volume 3.46384E+06 ppm1 7.851 ppm2 4.308
ASSI { 47}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 22 and name H2 ))
6.500 2.500 0.000 peak 47 weight 1.00000E+00 volume 2.54671E+06 ppm1 7.361 ppm2 5.804
ASSI { 302}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H2' ))
3.000 1.200 0.200 peak 302 weight 1.00000E+00 volume 4.84697E+07 ppm1 7.571 ppm2 2.760
ASSI { 184}
(( segid " A" and resid 10 and name H6 ))
(( segid " A" and resid 10 and name H5' ))
4.500 2.000 0.300 peak 184 weight 1.00000E+00 volume 1.38501E+07 ppm1 7.315 ppm2 3.991
ASSI { 123}
(( segid " A" and resid 9 and name H8 ))
(( segid " A" and resid 8 and name H3' ))
4.500 2.000 0.300 peak 123 weight 1.00000E+00 volume 7.89319E+06 ppm1 7.562 ppm2 5.073
ASSI { 145}
(( segid " A" and resid 6 and name H2''))
(( segid " A" and resid 6 and name H1' ))
3.000 1.200 0.200 peak 145 weight 1.00000E+00 volume 3.48746E+07 ppm1 6.087 ppm2 2.852
ASSI { 13}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 2 and name H1 ))
6.500 2.500 0.000 peak 13 weight 1.00000E+00 volume 2.78995E+06 ppm1 11.598 ppm2 7.957
ASSI { 22}
(( segid " A" and resid 11 and name H1' ))
(( segid " A" and resid 11 and name H8 ))
4.500 2.000 0.300 peak 22 weight 1.00000E+00 volume 1.29031E+07 ppm1 8.032 ppm2 6.068
ASSI { 227}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 13 and name H5''))
4.500 2.000 0.300 peak 227 weight 1.00000E+00 volume 4.92920E+06 ppm1 8.156 ppm2 3.141
ASSI { 151}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H3' ))
4.500 2.000 0.300 peak 151 weight 1.00000E+00 volume 1.10700E+07 ppm1 6.190 ppm2 5.029
ASSI { 439}
(( segid " A" and resid 12 and name H1 ))
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4.500 2.000 0.300 peak 439 weight 1.00000E+00 volume 6.26218E+06 ppm1 11.827 ppm2 11.360
ASSI { 447}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 20 and name H1 ))
4.500 2.000 0.300 peak 447 weight 1.00000E+00 volume 5.00387E+06 ppm1 11.211 ppm2 10.684
ASSI { 196}
(( segid " A" and resid 11 and name H8 ))
(( segid " A" and resid 11 and name H4' ))
4.500 2.000 0.300 peak 196 weight 1.00000E+00 volume 6.30087E+06 ppm1 8.033 ppm2 4.374
ASSI { 276}
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(( segid " A" and resid 9 and name H1' ))
4.500 2.000 0.300 peak 276 weight 1.00000E+00 volume 9.55934E+06 ppm1 6.362 ppm2 4.905
ASSI { 73}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H3' ))
4.500 2.000 0.300 peak 73 weight 1.00000E+00 volume 8.83351E+06 ppm1 6.453 ppm2 5.083
ASSI { 104}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H5' ))
4.500 2.000 0.300 peak 104 weight 1.00000E+00 volume 5.22028E+06 ppm1 7.815 ppm2 3.937
ASSI { 266}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H2' ))
3.000 1.200 0.200 peak 266 weight 1.00000E+00 volume 2.86932E+07 ppm1 5.985 ppm2 2.856
ASSI { 251}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H4' ))
4.500 2.000 0.300 peak 251 weight 1.00000E+00 volume 3.86446E+06 ppm1 6.127 ppm2 4.128
ASSI { 355}
(( segid " A" and resid 4 and name H3' ))
(( segid " A" and resid 4 and name H4' ))
4.500 2.000 0.300 peak 355 weight 1.00000E+00 volume 9.41210E+06 ppm1 5.018 ppm2 4.509
ASSI { 70}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H3' ))
4.500 2.000 0.300 peak 70 weight 1.00000E+00 volume 6.79752E+06 ppm1 5.923 ppm2 4.917
ASSI { 134}
(( segid " A" and resid 5 and name H2' ))
(( segid " A" and resid 5 and name H1' ))
3.000 1.200 0.200 peak 134 weight 1.00000E+00 volume 4.21507E+07 ppm1 6.383 ppm2 2.630
ASSI { 179}
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(( segid " A" and resid 9 and name H2''))
4.500 2.000 0.300 peak 179 weight 1.00000E+00 volume 5.12149E+06 ppm1 7.566 ppm2 2.953
ASSI { 328}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H3' ))
4.500 2.000 0.300 peak 328 weight 1.00000E+00 volume 3.48136E+06 ppm1 4.916 ppm2 2.639
ASSI { 349}
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(( segid " A" and resid 13 and name H5' ))
3.000 1.200 0.200 peak 349 weight 1.00000E+00 volume 5.42601E+07 ppm1 3.135 ppm2 2.865
ASSI { 362}
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(( segid " A" and resid 15 and name H3' ))
4.500 2.000 0.300 peak 362 weight 1.00000E+00 volume 6.28904E+06 ppm1 4.984 ppm2 4.432
ASSI { 441}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H1 ))
6.500 2.500 0.000 peak 441 weight 1.00000E+00 volume 9.30332E+05 ppm1 11.791 ppm2 11.088
ASSI { 378}
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(( segid " A" and resid 10 and name H5' ))
3.000 1.200 0.200 peak 378 weight 1.00000E+00 volume 6.15516E+07 ppm1 4.239 ppm2 3.989
ASSI { 353}
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(( segid " A" and resid 20 and name H8 ))
3.000 1.200 0.200 peak 353 weight 1.00000E+00 volume 7.13679E+07 ppm1 7.505 ppm2 2.659
ASSI { 390}
(( segid " A" and resid 20 and name H5' ))
(( segid " A" and resid 20 and name H2''))
4.500 2.000 0.300 peak 390 weight 1.00000E+00 volume 1.35647E+07 ppm1 4.193 ppm2 2.660
ASSI { 385}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 13 and name H4' ))
3.000 1.200 0.200 peak 385 weight 1.00000E+00 volume 4.09144E+07 ppm1 3.781 ppm2 3.138
ASSI { 305}
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(( segid " A" and resid 17 and name H8 ))
4.500 2.000 0.300 peak 305 weight 1.00000E+00 volume 6.81930E+06 ppm1 7.939 ppm2 2.021
ASSI { 140}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H8 ))
4.500 2.000 0.300 peak 140 weight 1.00000E+00 volume 1.03939E+07 ppm1 7.958 ppm2 4.228
ASSI { 372}
(( segid " A" and resid 3 and name H5' ))
(( segid " A" and resid 3 and name H4' ))
4.500 2.000 0.300 peak 372 weight 1.00000E+00 volume 1.95289E+07 ppm1 4.420 ppm2 4.191
ASSI { 193}
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(( segid " A" and resid 16 and name H2' ))
4.500 2.000 0.300 peak 193 weight 1.00000E+00 volume 1.63249E+07 ppm1 5.948 ppm2 1.545
ASSI { 202}
(( segid " A" and resid 11 and name H2' ))
(( segid " A" and resid 11 and name H1' ))
3.000 1.200 0.200 peak 202 weight 1.00000E+00 volume 4.02745E+07 ppm1 6.069 ppm2 2.881
ASSI { 300}
(( segid " A" and resid 9 and name H8 ))
(( segid " A" and resid 8 and name H5''))
4.500 2.000 0.300 peak 300 weight 1.00000E+00 volume 9.59448E+06 ppm1 7.570 ppm2 4.214
ASSI { 337}
(( segid " A" and resid 21 and name H2''))
(( segid " A" and resid 21 and name H2' ))
3.000 1.200 0.200 peak 337 weight 1.00000E+00 volume 5.51224E+07 ppm1 2.392 ppm2 2.238
ASSI { 343}
(( segid " A" and resid 9 and name H2''))
(( segid " A" and resid 9 and name H2' ))
3.000 1.200 0.200 peak 343 weight 1.00000E+00 volume 4.22210E+07 ppm1 2.960 ppm2 2.359
ASSI { 384}
(( segid " A" and resid 1 and name H5''))
(( segid " A" and resid 1 and name H4' ))
3.000 1.200 0.200 peak 384 weight 1.00000E+00 volume 7.89181E+07 ppm1 4.039 ppm2 3.549
ASSI { 171}
(( segid " A" and resid 9 and name H1' ))
(( segid " A" and resid 9 and name H4' ))
4.500 2.000 0.300 peak 171 weight 1.00000E+00 volume 1.10126E+07 ppm1 6.365 ppm2 4.566
ASSI { 48}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 21 and name H8 ))
4.500 2.000 0.300 peak 48 weight 1.00000E+00 volume 9.04523E+06 ppm1 7.676 ppm2 5.909
ASSI { 331}
(( segid " A" and resid 18 and name H4' ))
(( segid " A" and resid 18 and name H3' ))
4.500 2.000 0.300 peak 331 weight 1.00000E+00 volume 4.89591E+06 ppm1 4.943 ppm2 4.383
ASSI { 477}
(( segid " A" and resid 10 and name H1' ))
( segid " A" and resid 10 and name H5# )
6.500 2.500 0.000 peak 477 weight 1.00000E+00 volume 1.65138E+06 ppm1 5.647 ppm2 1.665
ASSI { 346}
(( segid " A" and resid 11 and name H2''))
(( segid " A" and resid 11 and name H2' ))
3.000 1.200 0.200 peak 346 weight 1.00000E+00 volume 3.25672E+07 ppm1 2.891 ppm2 2.512
ASSI { 231}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 15 and name H5''))
4.500 2.000 0.300 peak 231 weight 1.00000E+00 volume 4.09932E+06 ppm1 6.336 ppm2 4.192
ASSI { 20}
(( segid " A" and resid 9 and name H8 ))
(( segid " A" and resid 4 and name H1 ))
4.500 2.000 0.300 peak 20 weight 1.00000E+00 volume 3.98710E+06 ppm1 11.137 ppm2 7.568
ASSI { 197}
(( segid " A" and resid 11 and name H8 ))
(( segid " A" and resid 11 and name H5''))
4.500 2.000 0.300 peak 197 weight 1.00000E+00 volume 1.30371E+07 ppm1 8.031 ppm2 4.209
ASSI { 221}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H5' ))
4.500 2.000 0.300 peak 221 weight 1.00000E+00 volume 3.32360E+06 ppm1 7.843 ppm2 4.372
ASSI { 217}
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(( segid " A" and resid 12 and name H2' ))
3.000 1.200 0.200 peak 217 weight 1.00000E+00 volume 3.11507E+07 ppm1 5.924 ppm2 2.871
ASSI { 137}
(( segid " A" and resid 6 and name H4' ))
(( segid " A" and resid 6 and name H8 ))
6.500 2.500 0.000 peak 137 weight 1.00000E+00 volume 3.13856E+06 ppm1 7.957 ppm2 4.379
ASSI { 391}
(( segid " A" and resid 14 and name H2' ))
(( segid " A" and resid 14 and name H4' ))
4.500 2.000 0.300 peak 391 weight 1.00000E+00 volume 7.51092E+06 ppm1 4.261 ppm2 2.708
ASSI { 356}
(( segid " A" and resid 11 and name H3' ))
(( segid " A" and resid 11 and name H4' ))
4.500 2.000 0.300 peak 356 weight 1.00000E+00 volume 6.22796E+06 ppm1 5.017 ppm2 4.384
ASSI { 406}
(( segid " A" and resid 14 and name H5' ))
(( segid " A" and resid 14 and name H2''))
4.500 2.000 0.300 peak 406 weight 1.00000E+00 volume 3.94152E+06 ppm1 3.913 ppm2 2.606
ASSI { 33}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 14 and name H1' ))
4.500 2.000 0.300 peak 33 weight 1.00000E+00 volume 4.41254E+06 ppm1 8.354 ppm2 6.152
ASSI { 57}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H3' ))
4.500 2.000 0.300 peak 57 weight 1.00000E+00 volume 1.51985E+07 ppm1 8.157 ppm2 4.798
ASSI { 195}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H3' ))
4.500 2.000 0.300 peak 195 weight 1.00000E+00 volume 1.06188E+07 ppm1 7.847 ppm2 5.024
ASSI { 17}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 3 and name H1 ))
4.500 2.000 0.300 peak 17 weight 1.00000E+00 volume 3.21157E+06 ppm1 11.078 ppm2 7.903
ASSI { 214}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H4' ))
4.500 2.000 0.300 peak 214 weight 1.00000E+00 volume 1.10985E+07 ppm1 7.847 ppm2 4.765
ASSI { 440}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 6 and name H1 ))
4.500 2.000 0.300 peak 440 weight 1.00000E+00 volume 5.28837E+06 ppm1 11.790 ppm2 11.213
ASSI { 241}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 20 and name H3' ))
4.500 2.000 0.300 peak 241 weight 1.00000E+00 volume 9.60892E+06 ppm1 5.897 ppm2 4.843
ASSI { 178}
(( segid " A" and resid 9 and name H1' ))
(( segid " A" and resid 9 and name H2' ))
4.500 2.000 0.300 peak 178 weight 1.00000E+00 volume 1.96750E+07 ppm1 6.363 ppm2 2.359
ASSI { 37}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H1' ))
4.500 2.000 0.300 peak 37 weight 1.00000E+00 volume 1.63823E+07 ppm1 7.937 ppm2 6.133
ASSI { 207}
(( segid " A" and resid 13 and name H3' ))
(( segid " A" and resid 13 and name H1' ))
4.500 2.000 0.300 peak 207 weight 1.00000E+00 volume 1.06922E+07 ppm1 6.216 ppm2 4.611
ASSI { 577}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 20 and name H8 ))
4.500 2.000 0.300 peak 577 weight 1.00000E+00 volume 1.52961E+07 ppm1 7.507 ppm2 5.954
ASSI { 38}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H8 ))
4.500 2.000 0.300 peak 38 weight 1.00000E+00 volume 1.13415E+07 ppm1 8.065 ppm2 5.985
ASSI { 127}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H2''))
3.000 1.200 0.200 peak 127 weight 1.00000E+00 volume 3.47733E+07 ppm1 7.583 ppm2 2.684
ASSI { 299}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H2''))
3.000 1.200 0.200 peak 299 weight 1.00000E+00 volume 5.23017E+07 ppm1 7.605 ppm2 2.347
ASSI { 160}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 8 and name H4' ))
4.500 2.000 0.300 peak 160 weight 1.00000E+00 volume 5.80062E+06 ppm1 7.879 ppm2 4.478
ASSI { 99}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 20 and name H4' ))
4.500 2.000 0.300 peak 99 weight 1.00000E+00 volume 4.81001E+06 ppm1 7.502 ppm2 4.393
ASSI { 110}
(( segid " A" and resid 2 and name H2' ))
(( segid " A" and resid 2 and name H8 ))
3.000 1.200 0.200 peak 110 weight 1.00000E+00 volume 4.73609E+07 ppm1 7.913 ppm2 2.868
ASSI { 177}
(( segid " A" and resid 9 and name H1' ))
(( segid " A" and resid 9 and name H2''))
3.000 1.200 0.200 peak 177 weight 1.00000E+00 volume 2.76013E+07 ppm1 6.364 ppm2 2.963
ASSI { 21}
(( segid " A" and resid 10 and name H1' ))
(( segid " A" and resid 10 and name H6 ))
4.500 2.000 0.300 peak 21 weight 1.00000E+00 volume 1.87723E+07 ppm1 7.314 ppm2 5.649
ASSI { 481}
(( segid " A" and resid 13 and name H8 ))
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ASSI { 34}
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(( segid " A" and resid 15 and name H1' ))
4.500 2.000 0.300 peak 34 weight 1.00000E+00 volume 1.59063E+07 ppm1 8.354 ppm2 6.336
ASSI { 185}
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(( segid " A" and resid 10 and name H1' ))
3.000 1.200 0.200 peak 185 weight 1.00000E+00 volume 3.07539E+07 ppm1 5.648 ppm2 2.098
ASSI { 181}
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(( segid " A" and resid 10 and name H6 ))
4.500 2.000 0.300 peak 181 weight 1.00000E+00 volume 1.80514E+07 ppm1 7.314 ppm2 4.526
ASSI { 325}
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(( segid " A" and resid 2 and name H3' ))
4.500 2.000 0.300 peak 325 weight 1.00000E+00 volume 3.70312E+06 ppm1 4.915 ppm2 4.349
ASSI { 45}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 20 and name H8 ))
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ASSI { 341}
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(( segid " A" and resid 3 and name H2' ))
3.000 1.200 0.200 peak 341 weight 1.00000E+00 volume 2.65194E+07 ppm1 2.760 ppm2 2.384
ASSI { 288}
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(( segid " A" and resid 8 and name H4' ))
4.500 2.000 0.300 peak 288 weight 1.00000E+00 volume 1.75333E+07 ppm1 5.085 ppm2 4.487
ASSI { 154}
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(( segid " A" and resid 4 and name H2''))
4.500 2.000 0.300 peak 154 weight 1.00000E+00 volume 1.83317E+07 ppm1 6.185 ppm2 2.686
ASSI { 267}
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ASSI { 201}
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4.500 2.000 0.300 peak 201 weight 1.00000E+00 volume 1.60466E+07 ppm1 6.078 ppm2 4.363
ASSI { 432}
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ASSI { 36}
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(( segid " A" and resid 16 and name H1' ))
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ASSI { 74}
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(( segid " A" and resid 7 and name H3' ))
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ASSI { 476}
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(( segid " A" and resid 9 and name H22 ))
4.500 2.000 0.300 peak 476 weight 1.00000E+00 volume 1.23926E+07 ppm1 6.189 ppm2 1.668
ASSI { 238}
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4.500 2.000 0.300 peak 238 weight 1.00000E+00 volume 1.38014E+07 ppm1 5.938 ppm2 4.450
ASSI { 101}
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(( segid " A" and resid 21 and name H8 ))
3.000 1.200 0.200 peak 101 weight 1.00000E+00 volume 5.17462E+07 ppm1 7.675 ppm2 2.390
ASSI { 292}
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(( segid " A" and resid 6 and name H5' ))
4.500 2.000 0.300 peak 292 weight 1.00000E+00 volume 9.12866E+06 ppm1 5.092 ppm2 4.130
ASSI { 182}
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(( segid " A" and resid 10 and name H6 ))
4.500 2.000 0.300 peak 182 weight 1.00000E+00 volume 5.13622E+06 ppm1 7.316 ppm2 4.323
ASSI { 188}
(( segid " A" and resid 10 and name H2''))
(( segid " A" and resid 10 and name H6 ))
3.000 1.200 0.200 peak 188 weight 1.00000E+00 volume 4.58725E+07 ppm1 7.312 ppm2 2.079
ASSI { 58}
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(( segid " A" and resid 18 and name H3' ))
4.500 2.000 0.300 peak 58 weight 1.00000E+00 volume 1.52244E+07 ppm1 8.065 ppm2 4.950
ASSI { 368}
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(( segid " A" and resid 22 and name H1' ))
3.000 1.200 0.200 peak 368 weight 1.00000E+00 volume 3.93248E+07 ppm1 5.906 ppm2 2.185
ASSI { 29}
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(( segid " A" and resid 9 and name H1 ))
4.500 2.000 0.300 peak 29 weight 1.00000E+00 volume 5.21754E+06 ppm1 11.112 ppm2 7.841
ASSI { 333}
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(( segid " A" and resid 16 and name H2' ))
3.000 1.200 0.200 peak 333 weight 1.00000E+00 volume 4.01086E+07 ppm1 2.016 ppm2 1.546
ASSI { 71}
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(( segid " A" and resid 5 and name H4' ))
4.500 2.000 0.300 peak 71 weight 1.00000E+00 volume 1.54983E+07 ppm1 6.382 ppm2 4.522
ASSI { 203}
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(( segid " A" and resid 11 and name H1' ))
3.000 1.200 0.200 peak 203 weight 1.00000E+00 volume 2.56003E+07 ppm1 6.067 ppm2 2.512
ASSI { 508}
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(( segid " A" and resid 2 and name H5''))
3.000 1.200 0.200 peak 508 weight 1.00000E+00 volume 4.38762E+07 ppm1 4.344 ppm2 4.012
ASSI { 442}
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(( segid " A" and resid 2 and name H1 ))
4.500 2.000 0.300 peak 442 weight 1.00000E+00 volume 4.47502E+06 ppm1 11.598 ppm2 11.075
ASSI { 78}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H2''))
3.000 1.200 0.200 peak 78 weight 1.00000E+00 volume 4.01593E+07 ppm1 8.354 ppm2 2.714
ASSI { 246}
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(( segid " A" and resid 20 and name H2' ))
4.500 2.000 0.300 peak 246 weight 1.00000E+00 volume 2.28726E+07 ppm1 5.899 ppm2 2.383
ASSI { 273}
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(( segid " A" and resid 16 and name H5' ))
4.500 2.000 0.300 peak 273 weight 1.00000E+00 volume 1.25532E+07 ppm1 7.433 ppm2 4.013
ASSI { 560}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 20 and name H8 ))
4.500 2.000 0.300 peak 560 weight 1.00000E+00 volume 2.23011E+07 ppm1 7.509 ppm2 5.914
ASSI { 2}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 1 and name H1' ))
4.500 2.000 0.300 peak 2 weight 1.00000E+00 volume 7.19127E+06 ppm1 7.915 ppm2 5.819
ASSI { 215}
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(( segid " A" and resid 12 and name H2''))
3.000 1.200 0.200 peak 215 weight 1.00000E+00 volume 8.15458E+07 ppm1 7.847 ppm2 2.514
ASSI { 26}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 13 and name H8 ))
4.500 2.000 0.300 peak 26 weight 1.00000E+00 volume 1.81180E+07 ppm1 7.605 ppm2 5.913
ASSI { 14}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 2 and name H8 ))
6.500 2.500 0.000 peak 14 weight 1.00000E+00 volume 2.03369E+06 ppm1 11.215 ppm2 7.925
ASSI { 579}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 21 and name H3' ))
4.500 2.000 0.300 peak 579 weight 1.00000E+00 volume 4.83632E+06 ppm1 7.818 ppm2 4.712
ASSI { 319}
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(( segid " A" and resid 4 and name H2' ))
4.500 2.000 0.300 peak 319 weight 1.00000E+00 volume 1.28868E+07 ppm1 5.019 ppm2 2.579
ASSI { 19}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 4 and name H1 ))
6.500 2.500 0.000 peak 19 weight 1.00000E+00 volume 2.83952E+06 ppm1 11.138 ppm2 7.892
ASSI { 394}
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4.500 2.000 0.300 peak 394 weight 1.00000E+00 volume 3.54827E+06 ppm1 4.386 ppm2 2.646
ASSI { 426}
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6.500 2.500 0.000 peak 426 weight 1.00000E+00 volume 1.23846E+06 ppm1 11.107 ppm2 2.382
ASSI { 84}
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4.500 2.000 0.300 peak 84 weight 1.00000E+00 volume 7.50119E+06 ppm1 8.157 ppm2 3.913
ASSI { 234}
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(( segid " A" and resid 15 and name H2' ))
4.500 2.000 0.300 peak 234 weight 1.00000E+00 volume 1.69621E+07 ppm1 6.335 ppm2 2.868
ASSI { 112}
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4.500 2.000 0.300 peak 112 weight 1.00000E+00 volume 6.81356E+06 ppm1 7.477 ppm2 4.919
ASSI { 284}
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4.500 2.000 0.300 peak 284 weight 1.00000E+00 volume 4.68789E+06 ppm1 5.971 ppm2 4.979
ASSI { 427}
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6.500 2.500 0.000 peak 427 weight 1.00000E+00 volume 2.67096E+06 ppm1 11.141 ppm2 2.758
ASSI { 67}
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4.500 2.000 0.300 peak 67 weight 1.00000E+00 volume 1.80174E+07 ppm1 7.933 ppm2 4.978
ASSI { 186}
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3.000 1.200 0.200 peak 186 weight 1.00000E+00 volume 4.79463E+07 ppm1 7.314 ppm2 2.079
ASSI { 9}
(( segid " A" and resid 4 and name H8 ))
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4.500 2.000 0.300 peak 9 weight 1.00000E+00 volume 4.07101E+06 ppm1 10.683 ppm2 7.583
ASSI { 433}
(( segid " A" and resid 1 and name H2''))
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6.500 2.500 0.000 peak 433 weight 1.00000E+00 volume 1.88444E+06 ppm1 11.350 ppm2 2.504
ASSI { 350}
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(( segid " A" and resid 7 and name H2' ))
3.000 1.200 0.200 peak 350 weight 1.00000E+00 volume 2.65178E+07 ppm1 2.752 ppm2 2.595
ASSI { 398}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H2' ))
4.500 2.000 0.300 peak 398 weight 1.00000E+00 volume 6.89459E+06 ppm1 4.222 ppm2 2.301
ASSI { 445}
(( segid " A" and resid 12 and name H1 ))
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6.500 2.500 0.000 peak 445 weight 1.00000E+00 volume 3.82374E+06 ppm1 11.365 ppm2 11.100
ASSI { 40}
(( segid " A" and resid 12 and name H1 ))
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6.500 2.500 0.000 peak 40 weight 1.00000E+00 volume 2.65296E+06 ppm1 11.368 ppm2 8.066
ASSI { 320}
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(( segid " A" and resid 11 and name H3' ))
4.500 2.000 0.300 peak 320 weight 1.00000E+00 volume 7.54548E+06 ppm1 5.019 ppm2 2.517
ASSI { 89}
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(( segid " A" and resid 22 and name H4' ))
4.500 2.000 0.300 peak 89 weight 1.00000E+00 volume 1.90247E+07 ppm1 7.816 ppm2 4.439
ASSI { 381}
(( segid " A" and resid 20 and name H5''))
(( segid " A" and resid 20 and name H5' ))
3.000 1.200 0.200 peak 381 weight 1.00000E+00 volume 8.83970E+07 ppm1 4.185 ppm2 4.031
ASSI { 226}
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(( segid " A" and resid 14 and name H1' ))
6.500 2.500 0.000 peak 226 weight 1.00000E+00 volume 1.70091E+06 ppm1 6.158 ppm2 3.916
ASSI { 401}
(( segid " A" and resid 22 and name H2''))
(( segid " A" and resid 22 and name H4' ))
4.500 2.000 0.300 peak 401 weight 1.00000E+00 volume 3.43358E+06 ppm1 4.434 ppm2 2.300
ASSI { 270}
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(( segid " A" and resid 21 and name H5''))
4.500 2.000 0.300 peak 270 weight 1.00000E+00 volume 2.41515E+07 ppm1 5.814 ppm2 4.026
ASSI { 264}
(( segid " A" and resid 18 and name H2''))
(( segid " A" and resid 18 and name H8 ))
3.000 1.200 0.200 peak 264 weight 1.00000E+00 volume 4.47330E+07 ppm1 8.065 ppm2 2.611
ASSI { 310}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H2' ))
4.500 2.000 0.300 peak 310 weight 1.00000E+00 volume 2.52002E+07 ppm1 5.990 ppm2 2.753
ASSI { 228}
(( segid " A" and resid 14 and name H2' ))
(( segid " A" and resid 14 and name H1' ))
3.000 1.200 0.200 peak 228 weight 1.00000E+00 volume 4.08193E+07 ppm1 6.160 ppm2 2.716
ASSI { 91}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H3' ))
4.500 2.000 0.300 peak 91 weight 1.00000E+00 volume 7.94292E+06 ppm1 7.675 ppm2 4.713
ASSI { 407}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H5''))
4.500 2.000 0.300 peak 407 weight 1.00000E+00 volume 9.38674E+06 ppm1 4.027 ppm2 2.640
ASSI { 152}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H2' ))
3.000 1.200 0.200 peak 152 weight 1.00000E+00 volume 4.32633E+07 ppm1 7.576 ppm2 2.585
ASSI { 480}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 20 and name H8 ))
4.500 2.000 0.300 peak 480 weight 1.00000E+00 volume 4.65953E+06 ppm1 7.840 ppm2 7.500
ASSI { 189}
(( segid " A" and resid 10 and name H6 ))
( segid " A" and resid 10 and name H5# )
3.000 1.200 0.200 peak 189 weight 1.00000E+00 volume 6.09755E+07 ppm1 7.314 ppm2 1.668
ASSI { 296}
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(( segid " A" and resid 8 and name H2''))
4.500 2.000 0.300 peak 296 weight 1.00000E+00 volume 1.62156E+07 ppm1 5.083 ppm2 2.538
ASSI { 429}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 2 and name H2''))
6.500 2.500 0.000 peak 429 weight 1.00000E+00 volume 1.57935E+06 ppm1 11.205 ppm2 2.650
ASSI { 503}
(( segid " A" and resid 16 and name H1' ))
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4.500 2.000 0.300 peak 503 weight 1.00000E+00 volume 6.36770E+06 ppm1 5.951 ppm2 3.826
ASSI { 150}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H4' ))
4.500 2.000 0.300 peak 150 weight 1.00000E+00 volume 1.06360E+07 ppm1 6.194 ppm2 4.513
ASSI { 263}
(( segid " A" and resid 18 and name H2' ))
(( segid " A" and resid 18 and name H8 ))
4.500 2.000 0.300 peak 263 weight 1.00000E+00 volume 2.46207E+07 ppm1 8.065 ppm2 2.851
ASSI { 436}
(( segid " A" and resid 20 and name H1 ))
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4.500 2.000 0.300 peak 436 weight 1.00000E+00 volume 5.91042E+06 ppm1 10.687 ppm2 7.363
ASSI { 389}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H2''))
4.500 2.000 0.300 peak 389 weight 1.00000E+00 volume 7.99959E+06 ppm1 4.223 ppm2 2.853
ASSI { 173}
(( segid " A" and resid 9 and name H5' ))
(( segid " A" and resid 9 and name H1' ))
4.500 2.000 0.300 peak 173 weight 1.00000E+00 volume 7.13331E+06 ppm1 6.364 ppm2 4.321
ASSI { 161}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H4' ))
4.500 2.000 0.300 peak 161 weight 1.00000E+00 volume 8.98278E+06 ppm1 6.453 ppm2 4.478
ASSI { 113}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
4.500 2.000 0.300 peak 113 weight 1.00000E+00 volume 1.39158E+07 ppm1 7.485 ppm2 4.820
ASSI { 170}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 8 and name H2''))
3.000 1.200 0.200 peak 170 weight 1.00000E+00 volume 3.58903E+07 ppm1 7.874 ppm2 2.534
ASSI { 446}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 7 and name H1 ))
6.500 2.500 0.000 peak 446 weight 1.00000E+00 volume 2.81004E+06 ppm1 11.356 ppm2 11.218
ASSI { 535}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 11 and name H22 ))
6.500 2.500 0.000 peak 535 weight 1.00000E+00 volume 8.52924E+05 ppm1 6.915 ppm2 6.135
ASSI { 69}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H3' ))
4.500 2.000 0.300 peak 69 weight 1.00000E+00 volume 1.68747E+07 ppm1 7.915 ppm2 4.916
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