NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
7532 |
1kot   |
5058 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
1.900 0.400 0.400 peak 6 weight 0.10000E+01 volume 0.22534E-01 ppm1 8.777 ppm2 5.106 CV 1
ASSI { 17}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HG1#))
2.500 0.800 0.800 peak 17 weight 0.10000E+01 volume 0.37195E-02 ppm1 8.498 ppm2 0.807 CV 1
OR { 17}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 86 and name HD# )
ASSI { 50}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB# ))
2.100 0.600 0.600 peak 50 weight 0.10000E+01 volume 0.10557E-01 ppm1 8.063 ppm2 1.663 CV 1
ASSI { 53}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HA ))
2.100 0.500 0.500 peak 53 weight 0.10000E+01 volume 0.12138E-01 ppm1 9.502 ppm2 5.107 CV 1
ASSI { 58}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB# ))
2.400 0.700 0.700 peak 58 weight 0.10000E+01 volume 0.52053E-02 ppm1 9.158 ppm2 1.882 CV 1
ASSI { 59}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HG# ))
2.500 0.800 0.800 peak 59 weight 0.10000E+01 volume 0.37478E-02 ppm1 9.158 ppm2 1.737 CV 1
ASSI { 72}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 96 and name HN ))
2.100 0.500 0.500 peak 72 weight 0.10000E+01 volume 0.12009E-01 ppm1 7.992 ppm2 8.401 CV 1
ASSI { 89}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.000 0.500 0.500 peak 89 weight 0.10000E+01 volume 0.16697E-01 ppm1 8.893 ppm2 5.117 CV 1
ASSI { 93}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB# ))
2.600 0.900 0.900 peak 93 weight 0.10000E+01 volume 0.29091E-02 ppm1 8.610 ppm2 2.621 CV 1
ASSI { 107}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB# ))
2.000 0.500 0.500 peak 107 weight 0.10000E+01 volume 0.14257E-01 ppm1 8.846 ppm2 1.564 CV 1
ASSI { 114}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB# ))
1.900 0.400 0.400 peak 114 weight 0.10000E+01 volume 0.22944E-01 ppm1 8.118 ppm2 1.827 CV 1
ASSI { 124}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
2.000 0.500 0.500 peak 124 weight 0.10000E+01 volume 0.15793E-01 ppm1 8.685 ppm2 4.412 CV 1
ASSI { 128}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB# ))
2.600 0.800 0.800 peak 128 weight 0.10000E+01 volume 0.32626E-02 ppm1 7.461 ppm2 1.826 CV 1
ASSI { 130}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HB% )
2.100 0.500 0.500 peak 130 weight 0.10000E+01 volume 0.11659E-01 ppm1 7.462 ppm2 1.597 CV 1
ASSI { 146}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HG# ))
1.900 0.400 0.400 peak 146 weight 0.10000E+01 volume 0.22937E-01 ppm1 8.110 ppm2 2.504 CV 1
ASSI { 164}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB ))
2.000 0.500 0.500 peak 164 weight 0.10000E+01 volume 0.13475E-01 ppm1 8.300 ppm2 1.808 CV 1
OR { 164}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG1#))
ASSI { 165}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 23 and name HD# )
2.600 0.900 0.900 peak 165 weight 0.10000E+01 volume 0.29015E-02 ppm1 8.300 ppm2 0.869 CV 1
ASSI { 173}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB# ))
2.400 0.700 0.700 peak 173 weight 0.10000E+01 volume 0.47137E-02 ppm1 8.683 ppm2 1.904 CV 1
ASSI { 177}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HG ))
2.200 0.600 0.600 peak 177 weight 0.10000E+01 volume 0.86358E-02 ppm1 8.399 ppm2 1.830 CV 1
OR { 177}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HB# ))
ASSI { 183}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 46 and name HB# ))
2.400 0.700 0.700 peak 183 weight 0.10000E+01 volume 0.49592E-02 ppm1 7.441 ppm2 1.832 CV 1
ASSI { 185}{ calib n302}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HN ))
2.400 0.700 0.700 peak 185 weight 0.10000E+01 volume 0.13133E-01 ppm1 7.573 ppm2 7.368 CV 1
ASSI { 196}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HA ))
2.100 0.500 0.500 peak 196 weight 0.10000E+01 volume 0.12822E-01 ppm1 9.340 ppm2 4.897 CV 1
ASSI { 203}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB# ))
2.600 0.900 0.900 peak 203 weight 0.10000E+01 volume 0.30008E-02 ppm1 7.820 ppm2 1.627 CV 1
ASSI { 209}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 99 and name HN ))
2.500 0.800 0.800 peak 209 weight 0.10000E+01 volume 0.39659E-02 ppm1 8.412 ppm2 7.395 CV 1
ASSI { 210}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HB# ))
2.100 0.500 0.500 peak 210 weight 0.10000E+01 volume 0.12056E-01 ppm1 8.411 ppm2 2.302 CV 1
ASSI { 219}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HN ))
2.000 0.500 0.500 peak 219 weight 0.10000E+01 volume 0.15583E-01 ppm1 7.803 ppm2 7.498 CV 1
ASSI { 220}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
2.300 0.700 0.700 peak 220 weight 0.10000E+01 volume 0.63224E-02 ppm1 7.802 ppm2 4.477 CV 1
ASSI { 222}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HG ))
1.900 0.500 0.500 peak 222 weight 0.10000E+01 volume 0.17476E-01 ppm1 7.800 ppm2 1.687 CV 1
OR { 222}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB# ))
ASSI { 226}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 114 and name HB# ))
2.600 0.900 0.900 peak 226 weight 0.10000E+01 volume 0.29840E-02 ppm1 8.512 ppm2 1.865 CV 1
ASSI { 231}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG# ))
2.000 0.500 0.500 peak 231 weight 0.10000E+01 volume 0.16433E-01 ppm1 7.766 ppm2 1.620 CV 1
ASSI { 241}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB# ))
2.100 0.600 0.600 peak 241 weight 0.10000E+01 volume 0.10672E-01 ppm1 7.526 ppm2 1.825 CV 1
ASSI { 256}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
2.400 0.700 0.700 peak 256 weight 0.10000E+01 volume 0.52545E-02 ppm1 8.536 ppm2 7.349 CV 1
ASSI { 257}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA ))
2.200 0.600 0.600 peak 257 weight 0.10000E+01 volume 0.73934E-02 ppm1 8.536 ppm2 3.400 CV 1
ASSI { 258}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HB ))
2.600 0.800 0.800 peak 258 weight 0.10000E+01 volume 0.32340E-02 ppm1 8.535 ppm2 1.772 CV 1
ASSI { 271}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB# ))
2.000 0.500 0.500 peak 271 weight 0.10000E+01 volume 0.15162E-01 ppm1 7.725 ppm2 1.456 CV 1
ASSI { 284}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HB# ))
2.700 0.900 0.900 peak 284 weight 0.10000E+01 volume 0.26368E-02 ppm1 9.018 ppm2 1.817 CV 1
OR { 284}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HG ))
ASSI { 294}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB# ))
2.100 0.500 0.500 peak 294 weight 0.10000E+01 volume 0.12307E-01 ppm1 8.351 ppm2 3.695 CV 1
OR { 294}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
ASSI { 304}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB# ))
2.100 0.600 0.600 peak 304 weight 0.10000E+01 volume 0.10631E-01 ppm1 7.368 ppm2 3.176 CV 1
ASSI { 311}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB# ))
2.200 0.600 0.600 peak 311 weight 0.10000E+01 volume 0.74226E-02 ppm1 6.968 ppm2 1.100 CV 1
ASSI { 321}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 61 and name HB# ))
2.500 0.800 0.800 peak 321 weight 0.10000E+01 volume 0.38541E-02 ppm1 8.724 ppm2 2.521 CV 1
ASSI { 329}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB# ))
1.800 0.400 0.400 peak 329 weight 0.10000E+01 volume 0.27374E-01 ppm1 9.565 ppm2 2.088 CV 1
OR { 329}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HB# ))
ASSI { 332}
(( segid " " and resid 111 and name HN ))
( segid " " and resid 111 and name HD% )
2.500 0.800 0.800 peak 332 weight 0.10000E+01 volume 0.40984E-02 ppm1 8.513 ppm2 6.822 CV 1
ASSI { 333}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HA ))
1.900 0.400 0.400 peak 333 weight 0.10000E+01 volume 0.23216E-01 ppm1 8.513 ppm2 6.501 CV 1
ASSI { 339}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HN ))
2.200 0.600 0.600 peak 339 weight 0.10000E+01 volume 0.80532E-02 ppm1 7.346 ppm2 7.525 CV 1
ASSI { 342}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB# ))
2.000 0.500 0.500 peak 342 weight 0.10000E+01 volume 0.16673E-01 ppm1 7.346 ppm2 1.753 CV 1
ASSI { 343}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB# ))
2.300 0.600 0.600 peak 343 weight 0.10000E+01 volume 0.72371E-02 ppm1 7.345 ppm2 1.627 CV 1
ASSI { 349}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
2.500 0.800 0.800 peak 349 weight 0.10000E+01 volume 0.35031E-02 ppm1 8.260 ppm2 3.699 CV 1
OR { 349}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB# ))
ASSI { 351}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB# ))
2.300 0.700 0.700 peak 351 weight 0.10000E+01 volume 0.65095E-02 ppm1 8.260 ppm2 2.681 CV 1
ASSI { 357}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB# ))
2.200 0.600 0.600 peak 357 weight 0.10000E+01 volume 0.87214E-02 ppm1 8.559 ppm2 2.668 CV 1
ASSI { 358}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB# ))
2.400 0.700 0.700 peak 358 weight 0.10000E+01 volume 0.48394E-02 ppm1 8.560 ppm2 1.919 CV 1
OR { 358}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HG# ))
ASSI { 368}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HG1#))
2.600 0.900 0.900 peak 368 weight 0.10000E+01 volume 0.28153E-02 ppm1 6.931 ppm2 1.754 CV 1
ASSI { 370}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HG1#))
2.200 0.600 0.600 peak 370 weight 0.10000E+01 volume 0.94825E-02 ppm1 6.931 ppm2 1.445 CV 1
ASSI { 371}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 43 and name HG# )
2.000 0.500 0.500 peak 371 weight 0.10000E+01 volume 0.16808E-01 ppm1 6.931 ppm2 1.107 CV 1
OR { 371}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 43 and name HD# )
ASSI { 377}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HB# ))
2.000 0.500 0.500 peak 377 weight 0.10000E+01 volume 0.14978E-01 ppm1 7.394 ppm2 1.807 CV 1
ASSI { 387}{ersetzt durch c 2236}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB# ))
3.000 1.100 1.100 peak 387 weight 0.10000E+01 volume 0.12279E-01 ppm1 8.433 ppm2 1.817 CV 1
ASSI { 420}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 101 and name HN ))
2.000 0.500 0.500 peak 420 weight 0.10000E+01 volume 0.13059E-01 ppm1 8.135 ppm2 8.426 CV 1
ASSI { 454}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB# ))
2.600 0.800 0.800 peak 454 weight 0.10000E+01 volume 0.31126E-02 ppm1 7.777 ppm2 3.898 CV 1
ASSI { 465}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 92 and name HB ))
2.700 0.900 0.900 peak 465 weight 0.10000E+01 volume 0.25019E-02 ppm1 9.464 ppm2 4.887 CV 1
ASSI { 475}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HN ))
2.600 0.800 0.800 peak 475 weight 0.10000E+01 volume 0.34232E-02 ppm1 8.924 ppm2 9.102 CV 1
ASSI { 496}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 106 and name HA ))
4.100 2.100 1.900 peak 496 weight 0.10000E+01 volume 0.21162E-03 ppm1 8.785 ppm2 4.780 CV 1
ASSI { 498}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 108 and name HD% )
3.900 1.900 1.900 peak 498 weight 0.10000E+01 volume 0.25333E-03 ppm1 8.783 ppm2 6.342 CV 1
ASSI { 499}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 106 and name HD% )
3.800 1.800 1.800 peak 499 weight 0.10000E+01 volume 0.34100E-03 ppm1 8.776 ppm2 6.867 CV 1
ASSI { 503}
(( segid " " and resid 110 and name HN ))
( segid " " and resid 109 and name HD# )
4.000 2.000 2.000 peak 503 weight 0.10000E+01 volume 0.22858E-03 ppm1 9.011 ppm2 0.287 CV 1
ASSI { 519}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 79 and name HE% )
4.400 2.500 1.600 peak 519 weight 0.10000E+01 volume 0.12497E-03 ppm1 8.480 ppm2 7.239 CV 1
OR { 519}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 79 and name HZ ))
ASSI { 534}
(( segid " " and resid 119 and name HN ))
( segid " " and resid 119 and name HD# )
2.900 1.000 1.000 peak 534 weight 0.10000E+01 volume 0.17702E-02 ppm1 7.396 ppm2 0.788 CV 1
ASSI { 539}
(( segid " " and resid 117 and name HN ))
( segid " " and resid 81 and name HE% )
3.300 1.400 1.400 peak 539 weight 0.10000E+01 volume 0.70139E-03 ppm1 8.231 ppm2 7.184 CV 1
ASSI { 543}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 51 and name HE% )
4.600 2.600 1.400 peak 543 weight 0.10000E+01 volume 0.10117E-03 ppm1 9.111 ppm2 6.603 CV 1
ASSI { 547}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 33 and name HG# )
2.700 0.900 0.900 peak 547 weight 0.10000E+01 volume 0.22402E-02 ppm1 9.118 ppm2 0.647 CV 1
ASSI { 551}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 82 and name HG# )
3.300 1.400 1.400 peak 551 weight 0.10000E+01 volume 0.71715E-03 ppm1 9.831 ppm2 0.828 CV 1
ASSI { 557}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HN ))
3.100 1.200 1.200 peak 557 weight 0.10000E+01 volume 0.11845E-02 ppm1 9.840 ppm2 8.169 CV 1
ASSI { 566}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 80 and name HE% )
4.800 2.800 1.200 peak 566 weight 0.10000E+01 volume 0.82568E-04 ppm1 8.863 ppm2 6.651 CV 1
ASSI { 567}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 62 and name HD% )
3.500 1.500 1.500 peak 567 weight 0.10000E+01 volume 0.55470E-03 ppm1 8.863 ppm2 6.889 CV 1
ASSI { 569}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 119 and name HD# )
5.200 3.400 0.800 peak 569 weight 0.10000E+01 volume 0.48294E-04 ppm1 8.061 ppm2 0.797 CV 1
ASSI { 572}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HG# ))
2.800 1.000 1.000 peak 572 weight 0.10000E+01 volume 0.20735E-02 ppm1 8.062 ppm2 1.758 CV 1
OR { 572}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB# ))
ASSI { 576}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 117 and name HE% )
3.500 1.500 1.500 peak 576 weight 0.10000E+01 volume 0.56058E-03 ppm1 8.065 ppm2 6.589 CV 1
ASSI { 580}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HE% )
4.300 2.300 1.700 peak 580 weight 0.10000E+01 volume 0.16055E-03 ppm1 9.504 ppm2 6.602 CV 1
ASSI { 587}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HG# ))
3.100 1.200 1.200 peak 587 weight 0.10000E+01 volume 0.10609E-02 ppm1 9.506 ppm2 1.210 CV 1
ASSI { 596}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 43 and name HG# )
3.700 1.700 1.700 peak 596 weight 0.10000E+01 volume 0.40081E-03 ppm1 9.158 ppm2 1.110 CV 1
OR { 596}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 43 and name HD# )
ASSI { 604}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 51 and name HD% )
3.900 1.900 1.900 peak 604 weight 0.10000E+01 volume 0.25723E-03 ppm1 8.603 ppm2 7.050 CV 1
ASSI { 605}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 51 and name HE% )
5.600 3.900 0.400 peak 605 weight 0.10000E+01 volume 0.30465E-04 ppm1 8.594 ppm2 6.628 CV 1
ASSI { 628}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 55 and name HG ))
4.100 2.100 1.900 peak 628 weight 0.10000E+01 volume 0.19180E-03 ppm1 7.993 ppm2 5.756 CV 1
ASSI { 632}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HA# ))
2.800 1.000 1.000 peak 632 weight 0.10000E+01 volume 0.17931E-02 ppm1 7.991 ppm2 3.710 CV 1
ASSI { 638}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 79 and name HD% )
2.800 1.000 1.000 peak 638 weight 0.10000E+01 volume 0.21729E-02 ppm1 9.161 ppm2 6.916 CV 1
ASSI { 653}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 5 and name HD% )
4.600 2.600 1.400 peak 653 weight 0.10000E+01 volume 0.10248E-03 ppm1 9.369 ppm2 7.242 CV 1
OR { 653}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 5 and name HZ ))
ASSI { 654}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 51 and name HD% )
4.100 2.200 1.900 peak 654 weight 0.10000E+01 volume 0.18755E-03 ppm1 8.896 ppm2 7.068 CV 1
ASSI { 655}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 108 and name HD% )
4.400 2.400 1.600 peak 655 weight 0.10000E+01 volume 0.13796E-03 ppm1 9.370 ppm2 6.328 CV 1
ASSI { 666}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 33 and name HG# )
3.100 1.200 1.200 peak 666 weight 0.10000E+01 volume 0.99740E-03 ppm1 9.378 ppm2 0.634 CV 1
ASSI { 682}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 111 and name HE% )
3.000 1.100 1.100 peak 682 weight 0.10000E+01 volume 0.13469E-02 ppm1 8.846 ppm2 6.647 CV 1
ASSI { 694}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HD# ))
4.200 2.200 1.800 peak 694 weight 0.10000E+01 volume 0.16860E-03 ppm1 9.119 ppm2 3.275 CV 1
ASSI { 701}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 111 and name HE% )
3.700 1.700 1.700 peak 701 weight 0.10000E+01 volume 0.39372E-03 ppm1 8.118 ppm2 6.650 CV 1
ASSI { 702}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA ))
2.600 0.900 0.900 peak 702 weight 0.10000E+01 volume 0.29981E-02 ppm1 8.118 ppm2 4.416 CV 1
ASSI { 704}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 37 and name HG# ))
3.500 1.500 1.500 peak 704 weight 0.10000E+01 volume 0.51852E-03 ppm1 8.119 ppm2 1.677 CV 1
ASSI { 720}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 46 and name HD# )
2.900 1.000 1.000 peak 720 weight 0.10000E+01 volume 0.16299E-02 ppm1 8.683 ppm2 0.967 CV 1
ASSI { 723}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG# ))
3.600 1.600 1.600 peak 723 weight 0.10000E+01 volume 0.43958E-03 ppm1 7.463 ppm2 1.295 CV 1
ASSI { 724}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 43 and name HD# )
4.700 2.800 1.300 peak 724 weight 0.10000E+01 volume 0.86030E-04 ppm1 7.463 ppm2 1.101 CV 1
ASSI { 731}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 113 and name HN ))
4.500 2.500 1.500 peak 731 weight 0.10000E+01 volume 0.11944E-03 ppm1 7.462 ppm2 9.430 CV 1
ASSI { 734}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 81 and name HD% )
4.700 2.700 1.300 peak 734 weight 0.10000E+01 volume 0.93820E-04 ppm1 9.336 ppm2 6.899 CV 1
ASSI { 739}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB# ))
3.100 1.200 1.200 peak 739 weight 0.10000E+01 volume 0.98535E-03 ppm1 9.347 ppm2 2.786 CV 1
ASSI { 746}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB# ))
2.800 1.000 1.000 peak 746 weight 0.10000E+01 volume 0.21389E-02 ppm1 8.388 ppm2 1.752 CV 1
ASSI { 749}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB# ))
3.000 1.100 1.100 peak 749 weight 0.10000E+01 volume 0.12270E-02 ppm1 8.387 ppm2 3.827 CV 1
ASSI { 765}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB# ))
2.400 0.700 0.700 peak 765 weight 0.10000E+01 volume 0.44914E-02 ppm1 7.755 ppm2 2.347 CV 1
ASSI { 779}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 5 and name HE% )
3.200 1.300 1.300 peak 779 weight 0.10000E+01 volume 0.85580E-03 ppm1 8.701 ppm2 7.414 CV 1
ASSI { 780}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 5 and name HD% )
3.900 1.900 1.900 peak 780 weight 0.10000E+01 volume 0.27324E-03 ppm1 8.697 ppm2 7.233 CV 1
OR { 780}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 5 and name HZ ))
ASSI { 781}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 111 and name HD% )
4.000 2.000 2.000 peak 781 weight 0.10000E+01 volume 0.21915E-03 ppm1 8.696 ppm2 6.810 CV 1
ASSI { 795}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 97 and name HD% )
3.500 1.600 1.600 peak 795 weight 0.10000E+01 volume 0.48970E-03 ppm1 7.911 ppm2 6.956 CV 1
ASSI { 801}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HB# ))
2.700 0.900 0.900 peak 801 weight 0.10000E+01 volume 0.27152E-02 ppm1 7.906 ppm2 2.033 CV 1
ASSI { 811}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HG# ))
3.200 1.200 1.200 peak 811 weight 0.10000E+01 volume 0.97396E-03 ppm1 7.472 ppm2 2.211 CV 1
ASSI { 817}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 32 and name HA ))
3.400 1.400 1.400 peak 817 weight 0.10000E+01 volume 0.66660E-03 ppm1 8.409 ppm2 5.115 CV 1
ASSI { 827}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HA# ))
3.500 1.500 1.500 peak 827 weight 0.10000E+01 volume 0.52371E-03 ppm1 8.303 ppm2 4.090 CV 1
ASSI { 833}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HB# ))
2.700 0.900 0.900 peak 833 weight 0.10000E+01 volume 0.23023E-02 ppm1 8.821 ppm2 2.711 CV 1
ASSI { 840}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HG# ))
4.000 2.000 2.000 peak 840 weight 0.10000E+01 volume 0.22866E-03 ppm1 8.399 ppm2 2.492 CV 1
ASSI { 841}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 94 and name HA# ))
4.300 2.300 1.700 peak 841 weight 0.10000E+01 volume 0.14791E-03 ppm1 8.399 ppm2 4.017 CV 1
ASSI { 863}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 105 and name HD% )
4.300 2.300 1.700 peak 863 weight 0.10000E+01 volume 0.15215E-03 ppm1 8.672 ppm2 7.077 CV 1
ASSI { 873}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 62 and name HD% )
4.000 2.000 2.000 peak 873 weight 0.10000E+01 volume 0.21707E-03 ppm1 7.572 ppm2 6.886 CV 1
ASSI { 877}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HD# )
3.200 1.300 1.300 peak 877 weight 0.10000E+01 volume 0.91509E-03 ppm1 7.574 ppm2 1.005 CV 1
ASSI { 879}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HG1#))
3.700 1.700 1.700 peak 879 weight 0.10000E+01 volume 0.38748E-03 ppm1 7.572 ppm2 0.690 CV 1
ASSI { 881}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 66 and name HD# )
4.500 2.500 1.500 peak 881 weight 0.10000E+01 volume 0.11814E-03 ppm1 7.569 ppm2 -0.127 CV 1
ASSI { 903}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 86 and name HD# )
3.800 1.800 1.800 peak 903 weight 0.10000E+01 volume 0.32595E-03 ppm1 7.871 ppm2 0.819 CV 1
OR { 903}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 86 and name HG1#))
ASSI { 919}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 64 and name HA ))
3.900 1.900 1.900 peak 919 weight 0.10000E+01 volume 0.28605E-03 ppm1 7.822 ppm2 4.029 CV 1
ASSI { 920}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 63 and name HD% )
5.200 3.300 0.800 peak 920 weight 0.10000E+01 volume 0.51151E-04 ppm1 7.818 ppm2 6.290 CV 1
ASSI { 931}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB# ))
2.500 0.800 0.800 peak 931 weight 0.10000E+01 volume 0.35304E-02 ppm1 6.986 ppm2 1.219 CV 1
ASSI { 938}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB# ))
2.800 1.000 1.000 peak 938 weight 0.10000E+01 volume 0.20922E-02 ppm1 7.798 ppm2 2.860 CV 1
ASSI { 942}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 70 and name HD# )
3.000 1.100 1.100 peak 942 weight 0.10000E+01 volume 0.12581E-02 ppm1 7.802 ppm2 0.438 CV 1
ASSI { 943}
(( segid " " and resid 101 and name HN ))
( segid " " and resid 107 and name HD# )
3.500 1.500 1.500 peak 943 weight 0.10000E+01 volume 0.51765E-03 ppm1 8.407 ppm2 0.882 CV 1
ASSI { 947}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HB# ))
2.600 0.900 0.900 peak 947 weight 0.10000E+01 volume 0.29218E-02 ppm1 8.414 ppm2 3.298 CV 1
ASSI { 973}
(( segid " " and resid 114 and name HN ))
( segid " " and resid 79 and name HD% )
3.300 1.400 1.400 peak 973 weight 0.10000E+01 volume 0.67785E-03 ppm1 8.510 ppm2 6.915 CV 1
ASSI { 983}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HB# ))
3.200 1.300 1.300 peak 983 weight 0.10000E+01 volume 0.84637E-03 ppm1 8.709 ppm2 3.232 CV 1
ASSI { 990}
(( segid " " and resid 114 and name HN ))
( segid " " and resid 43 and name HD# )
3.900 1.900 1.900 peak 990 weight 0.10000E+01 volume 0.27427E-03 ppm1 8.513 ppm2 1.120 CV 1
OR { 990}
(( segid " " and resid 114 and name HN ))
( segid " " and resid 43 and name HG# )
ASSI { 991}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 82 and name HG# )
3.500 1.500 1.500 peak 991 weight 0.10000E+01 volume 0.52519E-03 ppm1 8.184 ppm2 0.636 CV 1
ASSI { 1000}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 82 and name HB ))
5.000 3.200 1.000 peak 1000 weight 0.10000E+01 volume 0.58334E-04 ppm1 8.185 ppm2 1.728 CV 1
ASSI { 1004}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 46 and name HD# )
3.100 1.200 1.200 peak 1004 weight 0.10000E+01 volume 0.10874E-02 ppm1 7.527 ppm2 0.883 CV 1
ASSI { 1008}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 66 and name HA ))
2.800 1.000 1.000 peak 1008 weight 0.10000E+01 volume 0.18347E-02 ppm1 7.526 ppm2 3.420 CV 1
ASSI { 1020}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 117 and name HA ))
4.200 2.200 1.800 peak 1020 weight 0.10000E+01 volume 0.18487E-03 ppm1 6.984 ppm2 3.741 CV 1
ASSI { 1038}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 63 and name HB# ))
4.100 2.100 1.900 peak 1038 weight 0.10000E+01 volume 0.19362E-03 ppm1 8.538 ppm2 2.739 CV 1
ASSI { 1048}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 59 and name HG# )
3.400 1.400 1.400 peak 1048 weight 0.10000E+01 volume 0.65856E-03 ppm1 9.119 ppm2 0.867 CV 1
ASSI { 1064}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 80 and name HD% )
4.800 2.900 1.200 peak 1064 weight 0.10000E+01 volume 0.75385E-04 ppm1 9.120 ppm2 6.779 CV 1
ASSI { 1065}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 62 and name HD% )
3.700 1.700 1.700 peak 1065 weight 0.10000E+01 volume 0.36896E-03 ppm1 9.117 ppm2 6.889 CV 1
ASSI { 1086}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 57 and name HA ))
4.800 2.900 1.200 peak 1086 weight 0.10000E+01 volume 0.79106E-04 ppm1 8.353 ppm2 4.296 CV 1
ASSI { 1089}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HG# ))
3.600 1.700 1.700 peak 1089 weight 0.10000E+01 volume 0.40938E-03 ppm1 8.351 ppm2 1.915 CV 1
ASSI { 1090}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB# ))
3.300 1.300 1.300 peak 1090 weight 0.10000E+01 volume 0.77635E-03 ppm1 8.351 ppm2 1.988 CV 1
ASSI { 1134}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG# ))
3.300 1.300 1.300 peak 1134 weight 0.10000E+01 volume 0.77722E-03 ppm1 7.379 ppm2 1.329 CV 1
ASSI { 1159}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HD% )
2.900 1.100 1.100 peak 1159 weight 0.10000E+01 volume 0.14701E-02 ppm1 9.565 ppm2 7.301 CV 1
ASSI { 1186}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HD# ))
5.000 3.100 1.000 peak 1186 weight 0.10000E+01 volume 0.62489E-04 ppm1 7.342 ppm2 2.810 CV 1
ASSI { 1187}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HG# ))
2.500 0.800 0.800 peak 1187 weight 0.10000E+01 volume 0.37341E-02 ppm1 7.345 ppm2 1.345 CV 1
ASSI { 1191}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 31 and name HG# )
4.700 2.700 1.300 peak 1191 weight 0.10000E+01 volume 0.90531E-04 ppm1 8.262 ppm2 0.399 CV 1
ASSI { 1205}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HB# ))
3.200 1.300 1.300 peak 1205 weight 0.10000E+01 volume 0.89864E-03 ppm1 8.558 ppm2 1.427 CV 1
ASSI { 1220}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 52 and name HD# )
4.300 2.300 1.700 peak 1220 weight 0.10000E+01 volume 0.14670E-03 ppm1 8.038 ppm2 0.507 CV 1
ASSI { 1222}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 13 and name HZ ))
4.100 2.100 1.900 peak 1222 weight 0.10000E+01 volume 0.21075E-03 ppm1 7.836 ppm2 7.294 CV 1
ASSI { 1225}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 104 and name HB# ))
4.100 2.100 1.900 peak 1225 weight 0.10000E+01 volume 0.19119E-03 ppm1 7.827 ppm2 3.107 CV 1
ASSI { 1239}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HD# ))
3.100 1.200 1.200 peak 1239 weight 0.10000E+01 volume 0.99797E-03 ppm1 8.434 ppm2 1.588 CV 1
ASSI { 1240}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG# ))
2.500 0.800 0.800 peak 1240 weight 0.10000E+01 volume 0.43182E-02 ppm1 8.434 ppm2 1.296 CV 1
ASSI { 1247}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HD# ))
5.000 3.100 1.000 peak 1247 weight 0.10000E+01 volume 0.61104E-04 ppm1 8.595 ppm2 3.981 CV 1
ASSI { 1249}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HG# ))
3.800 1.800 1.800 peak 1249 weight 0.10000E+01 volume 0.33217E-03 ppm1 8.593 ppm2 2.186 CV 1
ASSI { 1259}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB# ))
2.700 0.900 0.900 peak 1259 weight 0.10000E+01 volume 0.24623E-02 ppm1 7.497 ppm2 1.918 CV 1
ASSI { 1261}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
2.700 0.900 0.900 peak 1261 weight 0.10000E+01 volume 0.25803E-02 ppm1 7.494 ppm2 4.010 CV 1
ASSI { 1266}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 81 and name HE% )
3.500 1.600 1.600 peak 1266 weight 0.10000E+01 volume 0.49273E-03 ppm1 9.280 ppm2 7.194 CV 1
ASSI { 1276}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 79 and name HB# ))
3.700 1.700 1.700 peak 1276 weight 0.10000E+01 volume 0.35459E-03 ppm1 9.284 ppm2 2.603 CV 1
ASSI { 1279}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 43 and name HD# )
3.500 1.500 1.500 peak 1279 weight 0.10000E+01 volume 0.56456E-03 ppm1 9.282 ppm2 1.117 CV 1
OR { 1279}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 43 and name HG# )
ASSI { 1282}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 110 and name HB% )
3.000 1.100 1.100 peak 1282 weight 0.10000E+01 volume 0.13464E-02 ppm1 9.089 ppm2 1.552 CV 1
ASSI { 1288}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 80 and name HD% )
2.600 0.900 0.900 peak 1288 weight 0.10000E+01 volume 0.28113E-02 ppm1 9.085 ppm2 6.813 CV 1
ASSI { 1299}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HB# ))
3.600 1.600 1.600 peak 1299 weight 0.10000E+01 volume 0.46053E-03 ppm1 7.548 ppm2 2.539 CV 1
ASSI { 1302}
(( segid " " and resid 118 and name HN ))
( segid " " and resid 117 and name HD% )
3.200 1.300 1.300 peak 1302 weight 0.10000E+01 volume 0.84368E-03 ppm1 7.549 ppm2 6.601 CV 1
ASSI { 1303}
(( segid " " and resid 115 and name HN ))
( segid " " and resid 79 and name HE% )
2.900 1.100 1.100 peak 1303 weight 0.10000E+01 volume 0.16114E-02 ppm1 7.978 ppm2 7.228 CV 1
OR { 1303}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 79 and name HZ ))
ASSI { 1308}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB# ))
2.800 1.000 1.000 peak 1308 weight 0.10000E+01 volume 0.19839E-02 ppm1 7.601 ppm2 0.899 CV 1
ASSI { 1323}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 73 and name HG# ))
2.800 1.000 1.000 peak 1323 weight 0.10000E+01 volume 0.18748E-02 ppm1 8.798 ppm2 1.770 CV 1
ASSI { 1354}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 88 and name HG# ))
3.500 1.500 1.500 peak 1354 weight 0.10000E+01 volume 0.52042E-03 ppm1 7.776 ppm2 2.182 CV 1
ASSI { 1364}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 106 and name HE% )
2.800 1.000 1.000 peak 1364 weight 0.10000E+01 volume 0.18250E-02 ppm1 9.503 ppm2 7.207 CV 1
ASSI { 1368}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB# ))
2.300 0.600 0.600 peak 1368 weight 0.10000E+01 volume 0.71387E-02 ppm1 9.503 ppm2 2.349 CV 1
ASSI { 1372}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HA ))
2.600 0.800 0.800 peak 1372 weight 0.10000E+01 volume 0.31722E-02 ppm1 8.183 ppm2 4.900 CV 1
OR { 1372}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB ))
ASSI { 339}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB# ))
6.000 4.500 0.000 peak 339 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 CV 1
ASSI { 1414}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 105 and name HE% )
5.100 3.200 0.900 peak 1414 weight 0.10000E+01 volume 0.54959E-04 ppm1 7.876 ppm2 7.319 CV 1
OR { 1414}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HZ ))
ASSI { 1419}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD% )
2.900 1.100 1.100 peak 1419 weight 0.10000E+01 volume 0.15215E-02 ppm1 8.607 ppm2 7.214 CV 1
ASSI { 1421}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB# ))
3.100 1.200 1.200 peak 1421 weight 0.10000E+01 volume 0.11457E-02 ppm1 8.608 ppm2 1.654 CV 1
ASSI { 1432}
(( segid " " and resid 84 and name HD22))
(( segid " " and resid 3 and name HB# ))
6.000 5.200 0.000 peak 1432 weight 0.10000E+01 volume 0.13415E-04 ppm1 6.647 ppm2 1.793 CV 1
ASSI { 1433}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 1433 weight 0.10000E+01 volume 0.23794E-02 ppm1 7.598 ppm2 7.783 CV 1
ASSI { 1444}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HE% )
4.900 3.000 1.100 peak 1444 weight 0.10000E+01 volume 0.68460E-04 ppm1 8.038 ppm2 6.725 CV 1
ASSI { 1446}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB# ))
3.000 1.100 1.100 peak 1446 weight 0.10000E+01 volume 0.14488E-02 ppm1 8.040 ppm2 1.461 CV 1
ASSI { 1448}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 68 and name HN ))
4.000 2.000 2.000 peak 1448 weight 0.10000E+01 volume 0.24269E-03 ppm1 7.806 ppm2 7.371 CV 1
ASSI { 1450}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HG# ))
4.600 2.600 1.400 peak 1450 weight 0.10000E+01 volume 0.10515E-03 ppm1 9.134 ppm2 1.299 CV 1
ASSI { 1452}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HD# ))
4.300 2.400 1.700 peak 1452 weight 0.10000E+01 volume 0.14263E-03 ppm1 9.135 ppm2 3.349 CV 1
ASSI { 1463}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 111 and name HB# ))
6.000 4.600 0.000 peak 1463 weight 0.10000E+01 volume 0.18868E-04 ppm1 8.893 ppm2 2.832 CV 1
ASSI { 1473}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 37 and name HG# ))
5.700 4.000 0.300 peak 1473 weight 0.10000E+01 volume 0.29167E-04 ppm1 8.302 ppm2 1.663 CV 1
ASSI { 1476}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HE% )
5.300 3.500 0.700 peak 1476 weight 0.10000E+01 volume 0.41890E-04 ppm1 8.606 ppm2 7.419 CV 1
ASSI { 1477}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 51 and name HE% )
4.100 2.100 1.900 peak 1477 weight 0.10000E+01 volume 0.20694E-03 ppm1 6.984 ppm2 6.629 CV 1
ASSI { 1482}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 63 and name HD% )
4.500 2.500 1.500 peak 1482 weight 0.10000E+01 volume 0.12290E-03 ppm1 8.921 ppm2 6.299 CV 1
ASSI { 1495}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 117 and name HD% )
5.600 4.000 0.400 peak 1495 weight 0.10000E+01 volume 0.29687E-04 ppm1 8.167 ppm2 6.624 CV 1
OR { 1495}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 117 and name HE% )
ASSI { 1497}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 60 and name HN ))
5.200 3.400 0.800 peak 1497 weight 0.10000E+01 volume 0.48987E-04 ppm1 8.598 ppm2 8.918 CV 1
ASSI { 1501}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 58 and name HB ))
4.400 2.400 1.600 peak 1501 weight 0.10000E+01 volume 0.69119E-03 ppm1 9.336 ppm2 4.794 CV 1
ASSI { 1505}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 96 and name HA ))
6.000 4.400 0.000 peak 1505 weight 0.10000E+01 volume 0.21205E-04 ppm1 7.997 ppm2 4.260 CV 1
ASSI { 1510}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 100 and name HA ))
5.700 4.100 0.300 peak 1510 weight 0.10000E+01 volume 0.27782E-04 ppm1 7.397 ppm2 4.769 CV 1
ASSI { 1516}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 105 and name HD% )
5.000 3.100 1.000 peak 1516 weight 0.10000E+01 volume 0.62316E-04 ppm1 7.855 ppm2 7.087 CV 1
ASSI { 1520}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 104 and name HB# ))
5.000 3.200 1.000 peak 1520 weight 0.10000E+01 volume 0.57642E-04 ppm1 7.903 ppm2 3.119 CV 1
ASSI { 1526}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 116 and name HA ))
6.000 5.500 0.000 peak 1526 weight 0.10000E+01 volume 0.11251E-04 ppm1 7.546 ppm2 4.120 CV 1
ASSI { 1530}
(( segid " " and resid 119 and name HN ))
( segid " " and resid 117 and name HD% )
3.600 1.600 1.600 peak 1530 weight 0.10000E+01 volume 0.44884E-03 ppm1 7.395 ppm2 6.606 CV 1
OR { 1530}
(( segid " " and resid 119 and name HN ))
( segid " " and resid 117 and name HE% )
ASSI { 1543}
(( segid " " and resid 61 and name HE22))
(( segid " " and resid 57 and name HA ))
5.000 3.100 1.000 peak 1543 weight 0.10000E+01 volume 0.61969E-04 ppm1 6.861 ppm2 4.267 CV 1
ASSI { 1553}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 117 and name HB# ))
5.400 3.600 0.600 peak 1553 weight 0.10000E+01 volume 0.39293E-04 ppm1 7.397 ppm2 1.903 CV 1
ASSI { 1555}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 92 and name HA ))
4.700 2.700 1.300 peak 1555 weight 0.10000E+01 volume 0.90617E-04 ppm1 7.278 ppm2 4.941 CV 1
ASSI { 1558}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HA ))
6.000 4.800 0.000 peak 1558 weight 0.10000E+01 volume 0.17224E-04 ppm1 8.564 ppm2 4.889 CV 1
ASSI { 1560}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 43 and name HD# )
4.100 2.100 1.900 peak 1560 weight 0.10000E+01 volume 0.20824E-03 ppm1 8.900 ppm2 1.100 CV 1
ASSI { 1571}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 113 and name HB# ))
6.000 5.200 0.000 peak 1571 weight 0.10000E+01 volume 0.13588E-04 ppm1 8.473 ppm2 3.066 CV 1
ASSI { 1573}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 107 and name HD# )
3.000 1.100 1.100 peak 1573 weight 0.10000E+01 volume 0.13975E-02 ppm1 8.861 ppm2 0.871 CV 1
ASSI { 1579}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 49 and name HB# ))
4.000 2.000 2.000 peak 1579 weight 0.10000E+01 volume 0.22105E-03 ppm1 9.117 ppm2 1.930 CV 1
ASSI { 1586}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 93 and name HG# ))
4.300 2.300 1.700 peak 1586 weight 0.10000E+01 volume 0.15094E-03 ppm1 8.859 ppm2 2.389 CV 1
ASSI { 1587}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 93 and name HG# ))
4.800 2.900 1.200 peak 1587 weight 0.10000E+01 volume 0.76942E-04 ppm1 8.860 ppm2 2.186 CV 1
ASSI { 1595}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 89 and name HG# )
3.300 1.300 1.300 peak 1595 weight 0.10000E+01 volume 0.79392E-03 ppm1 7.285 ppm2 1.390 CV 1
ASSI { 1596}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 72 and name HB# ))
5.000 3.200 1.000 peak 1596 weight 0.10000E+01 volume 0.58074E-04 ppm1 8.755 ppm2 1.662 CV 1
ASSI { 1597}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HG# ))
5.100 3.200 0.900 peak 1597 weight 0.10000E+01 volume 0.55132E-04 ppm1 8.754 ppm2 1.772 CV 1
ASSI { 1599}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 93 and name HB# ))
4.800 2.900 1.200 peak 1599 weight 0.10000E+01 volume 0.77115E-04 ppm1 7.993 ppm2 1.944 CV 1
ASSI { 1600}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 96 and name HD# )
4.700 2.800 1.300 peak 1600 weight 0.10000E+01 volume 0.87675E-04 ppm1 7.990 ppm2 0.892 CV 1
ASSI { 1615}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 58 and name HG# )
4.000 2.000 2.000 peak 1615 weight 0.10000E+01 volume 0.24442E-03 ppm1 7.450 ppm2 1.266 CV 1
ASSI { 1618}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 71 and name HA ))
4.300 2.300 1.700 peak 1618 weight 0.10000E+01 volume 0.16012E-03 ppm1 9.119 ppm2 4.225 CV 1
ASSI { 1620}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 37 and name HB# ))
3.800 1.800 1.800 peak 1620 weight 0.10000E+01 volume 0.30232E-03 ppm1 8.123 ppm2 1.583 CV 1
ASSI { 1627}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 111 and name HE% )
4.500 2.500 1.500 peak 1627 weight 0.10000E+01 volume 0.12048E-03 ppm1 8.706 ppm2 6.630 CV 1
ASSI { 1639}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 69 and name HD# ))
5.000 3.100 1.000 peak 1639 weight 0.10000E+01 volume 0.61796E-04 ppm1 7.457 ppm2 3.262 CV 1
ASSI { 1648}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 63 and name HD% )
4.700 2.800 1.300 peak 1648 weight 0.10000E+01 volume 0.85597E-04 ppm1 7.875 ppm2 6.275 CV 1
ASSI { 1658}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
2.700 0.900 0.900 peak 1658 weight 0.10000E+01 volume 0.24036E-02 ppm1 7.525 ppm2 4.007 CV 1
ASSI { 1664}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 28 and name HD# ))
3.900 1.900 1.900 peak 1664 weight 0.10000E+01 volume 0.25610E-03 ppm1 7.724 ppm2 3.638 CV 1
ASSI { 1670}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 64 and name HB# ))
5.000 3.100 1.000 peak 1670 weight 0.10000E+01 volume 0.60757E-04 ppm1 8.534 ppm2 3.200 CV 1
ASSI { 1671}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HD# ))
3.500 1.500 1.500 peak 1671 weight 0.10000E+01 volume 0.53003E-03 ppm1 8.538 ppm2 2.816 CV 1
ASSI { 1700}
(( segid " " and resid 111 and name HN ))
( segid " " and resid 5 and name HE% )
4.400 2.400 1.600 peak 1700 weight 0.10000E+01 volume 0.13987E-03 ppm1 8.517 ppm2 7.417 CV 1
ASSI { 1702}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HB# ))
5.200 3.300 0.800 peak 1702 weight 0.10000E+01 volume 0.51151E-04 ppm1 7.497 ppm2 1.915 CV 1
OR { 1702}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HG# ))
ASSI { 1703}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 66 and name HG# )
4.500 2.600 1.500 peak 1703 weight 0.10000E+01 volume 0.10975E-03 ppm1 7.349 ppm2 0.354 CV 1
ASSI { 1705}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HG# ))
4.400 2.400 1.600 peak 1705 weight 0.10000E+01 volume 0.12818E-03 ppm1 8.258 ppm2 2.232 CV 1
ASSI { 1712}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HE# ))
5.300 3.600 0.700 peak 1712 weight 0.10000E+01 volume 0.41544E-04 ppm1 8.434 ppm2 2.916 CV 1
ASSI { 1719}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 116 and name HA ))
5.100 3.300 0.900 peak 1719 weight 0.10000E+01 volume 0.51410E-04 ppm1 7.986 ppm2 4.129 CV 1
ASSI { 1720}
(( segid " " and resid 115 and name HN ))
( segid " " and resid 77 and name HB% )
5.600 3.900 0.400 peak 1720 weight 0.10000E+01 volume 0.31331E-04 ppm1 7.982 ppm2 1.426 CV 1
ASSI { 1724}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 107 and name HG ))
5.100 3.200 0.900 peak 1724 weight 0.10000E+01 volume 0.54873E-04 ppm1 8.136 ppm2 0.746 CV 1
ASSI { 1726}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 58 and name HG# )
6.000 5.100 0.000 peak 1726 weight 0.10000E+01 volume 0.13761E-04 ppm1 7.782 ppm2 1.238 CV 1
ASSI { 1732}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 46 and name HD# )
5.000 3.200 1.000 peak 1732 weight 0.10000E+01 volume 0.58247E-04 ppm1 8.297 ppm2 0.983 CV 1
ASSI { 1744}
(( segid " " and resid 89 and name HN ))
( segid " " and resid 91 and name HB% )
5.400 3.600 0.600 peak 1744 weight 0.10000E+01 volume 0.39293E-04 ppm1 8.594 ppm2 1.490 CV 1
ASSI { 1747}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HG# ))
5.100 3.200 0.900 peak 1747 weight 0.10000E+01 volume 0.54353E-04 ppm1 8.259 ppm2 1.888 CV 1
ASSI { 1748}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 111 and name HE% )
4.600 2.700 1.400 peak 1748 weight 0.10000E+01 volume 0.94685E-04 ppm1 6.933 ppm2 6.669 CV 1
ASSI { 1757}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 119 and name HB# ))
2.600 0.800 0.800 peak 1757 weight 0.10000E+01 volume 0.32544E-02 ppm1 7.396 ppm2 1.480 CV 1
ASSI { 1760}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HG# ))
4.600 2.700 1.400 peak 1760 weight 0.10000E+01 volume 0.10023E-03 ppm1 7.724 ppm2 1.637 CV 1
ASSI { 750}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
3.400 1.500 1.500 peak 750 weight 0.20000E+01 volume 0.58395E-03 ppm1 8.385 ppm2 4.210 CV 1
ASSI { 747}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB# ))
2.800 1.000 1.000 peak 747 weight 0.20000E+01 volume 0.21428E-02 ppm1 8.389 ppm2 1.863 CV 1
ASSI { 748}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HG# ))
3.100 1.200 1.200 peak 748 weight 0.20000E+01 volume 0.10993E-02 ppm1 8.387 ppm2 2.143 CV 1
ASSI { 1588}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB# ))
3.800 1.800 1.800 peak 1588 weight 0.20000E+01 volume 0.32785E-03 ppm1 8.065 ppm2 1.858 CV 1
ASSI { 573}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HG# ))
4.800 2.900 1.200 peak 573 weight 0.20000E+01 volume 0.78500E-04 ppm1 8.066 ppm2 2.149 CV 1
ASSI { 575}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.800 1.000 1.000 peak 575 weight 0.20000E+01 volume 0.20296E-02 ppm1 8.064 ppm2 4.538 CV 1
ASSI { 570}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG# ))
3.600 1.600 1.600 peak 570 weight 0.20000E+01 volume 0.46520E-03 ppm1 8.065 ppm2 1.231 CV 1
ASSI { 571}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG# ))
3.300 1.400 1.400 peak 571 weight 0.20000E+01 volume 0.75255E-03 ppm1 8.067 ppm2 1.406 CV 1
ASSI { 91}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.000 0.500 0.500 peak 91 weight 0.20000E+01 volume 0.15952E-01 ppm1 8.609 ppm2 4.544 CV 1
ASSI { 1423}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HG# ))
4.400 2.500 1.600 peak 1423 weight 0.20000E+01 volume 0.12360E-03 ppm1 8.614 ppm2 1.231 CV 1
ASSI { 577}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
4.000 2.000 2.000 peak 577 weight 0.20000E+01 volume 0.25056E-03 ppm1 8.059 ppm2 8.615 CV 1
ASSI { 1420}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB# ))
3.200 1.200 1.200 peak 1420 weight 0.20000E+01 volume 0.95751E-03 ppm1 8.609 ppm2 3.042 CV 1
ASSI { 1102}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 1102 weight 0.20000E+01 volume 0.21414E-02 ppm1 7.629 ppm2 6.903 CV 1
ASSI { 1101}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
3.400 1.400 1.400 peak 1101 weight 0.20000E+01 volume 0.62610E-03 ppm1 7.649 ppm2 8.078 CV 1
ASSI { 1752}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB# ))
4.900 3.000 1.100 peak 1752 weight 0.20000E+01 volume 0.68980E-04 ppm1 7.139 ppm2 2.564 CV 1
ASSI { 1163}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB# ))
2.600 0.900 0.900 peak 1163 weight 0.20000E+01 volume 0.29701E-02 ppm1 9.565 ppm2 2.984 CV 1
ASSI { 1429}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
4.000 2.000 2.000 peak 1429 weight 0.20000E+01 volume 0.24926E-03 ppm1 9.564 ppm2 9.367 CV 1
ASSI { 1164}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG# ))
2.900 1.100 1.100 peak 1164 weight 0.20000E+01 volume 0.15955E-02 ppm1 9.564 ppm2 2.458 CV 1
ASSI { 1157}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
2.900 1.000 1.000 peak 1157 weight 0.20000E+01 volume 0.17813E-02 ppm1 9.563 ppm2 7.111 CV 1
ASSI { 1024}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB# ))
2.700 0.900 0.900 peak 1024 weight 0.20000E+01 volume 0.22713E-02 ppm1 7.124 ppm2 2.013 CV 1
ASSI { 1660}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG# ))
4.600 2.700 1.400 peak 1660 weight 0.20000E+01 volume 0.94685E-04 ppm1 7.120 ppm2 1.502 CV 1
ASSI { 1017}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.600 1.600 1.600 peak 1017 weight 0.20000E+01 volume 0.43734E-03 ppm1 7.119 ppm2 8.048 CV 1
ASSI { 1307}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 14 and name HA ))
3.200 1.300 1.300 peak 1307 weight 0.20000E+01 volume 0.88584E-03 ppm1 7.599 ppm2 3.748 CV 1
ASSI { 1312}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 1312 weight 0.20000E+01 volume 0.10073E-02 ppm1 7.601 ppm2 4.442 CV 1
ASSI { 1309}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB# ))
2.600 0.800 0.800 peak 1309 weight 0.20000E+01 volume 0.32684E-02 ppm1 7.599 ppm2 1.444 CV 1
ASSI { 1313}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 1313 weight 0.20000E+01 volume 0.13420E-02 ppm1 7.597 ppm2 8.863 CV 1
ASSI { 408}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.100 0.600 0.600 peak 408 weight 0.20000E+01 volume 0.10196E-01 ppm1 7.599 ppm2 4.263 CV 1
ASSI { 409}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB# ))
1.900 0.500 0.500 peak 409 weight 0.20000E+01 volume 0.17977E-01 ppm1 7.599 ppm2 4.026 CV 1
ASSI { 759}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 759 weight 0.20000E+01 volume 0.42922E-02 ppm1 7.759 ppm2 4.097 CV 1
ASSI { 1439}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HA ))
4.000 2.000 2.000 peak 1439 weight 0.20000E+01 volume 0.23481E-03 ppm1 9.488 ppm2 4.447 CV 1
ASSI { 1315}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 20 and name HN ))
3.900 1.900 1.900 peak 1315 weight 0.20000E+01 volume 0.28631E-03 ppm1 7.601 ppm2 9.512 CV 1
ASSI { 1367}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB# ))
2.700 0.900 0.900 peak 1367 weight 0.20000E+01 volume 0.23414E-02 ppm1 9.497 ppm2 2.277 CV 1
ASSI { 1363}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
2.600 0.800 0.800 peak 1363 weight 0.20000E+01 volume 0.33573E-02 ppm1 9.508 ppm2 7.789 CV 1
ASSI { 1366}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA# ))
2.400 0.700 0.700 peak 1366 weight 0.20000E+01 volume 0.55458E-02 ppm1 9.511 ppm2 3.085 CV 1
ASSI { 456}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA# ))
2.300 0.600 0.600 peak 456 weight 0.20000E+01 volume 0.70480E-02 ppm1 9.505 ppm2 4.075 CV 1
ASSI { 1739}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 21 and name HN ))
6.000 4.800 0.000 peak 1739 weight 0.20000E+01 volume 0.16358E-04 ppm1 7.602 ppm2 8.674 CV 1
ASSI { 859}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA# ))
2.900 1.000 1.000 peak 859 weight 0.20000E+01 volume 0.17652E-02 ppm1 8.689 ppm2 4.085 CV 1
ASSI { 1362}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 1362 weight 0.20000E+01 volume 0.27197E-02 ppm1 9.501 ppm2 8.665 CV 1
ASSI { 1078}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.800 1.800 1.800 peak 1078 weight 0.20000E+01 volume 0.33728E-03 ppm1 7.461 ppm2 3.171 CV 1
ASSI { 866}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 866 weight 0.20000E+01 volume 0.27057E-02 ppm1 8.642 ppm2 7.439 CV 1
ASSI { 1076}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
3.100 1.200 1.200 peak 1076 weight 0.20000E+01 volume 0.10586E-02 ppm1 7.466 ppm2 3.880 CV 1
ASSI { 825}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HA# ))
3.700 1.700 1.700 peak 825 weight 0.20000E+01 volume 0.39553E-03 ppm1 8.302 ppm2 3.076 CV 1
ASSI { 870}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
5.100 3.200 0.900 peak 870 weight 0.20000E+01 volume 0.56603E-04 ppm1 8.646 ppm2 8.293 CV 1
ASSI { 1635}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HG# ))
4.500 2.500 1.500 peak 1635 weight 0.20000E+01 volume 0.11537E-03 ppm1 8.304 ppm2 1.341 CV 1
ASSI { 161}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.500 0.800 0.800 peak 161 weight 0.20000E+01 volume 0.43711E-02 ppm1 8.299 ppm2 7.461 CV 1
ASSI { 964}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HA ))
3.000 1.100 1.100 peak 964 weight 0.20000E+01 volume 0.13177E-02 ppm1 7.767 ppm2 3.181 CV 1
ASSI { 965}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
3.900 1.900 1.900 peak 965 weight 0.20000E+01 volume 0.26060E-03 ppm1 7.761 ppm2 3.758 CV 1
ASSI { 160}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.600 0.800 0.800 peak 160 weight 0.20000E+01 volume 0.32518E-02 ppm1 8.300 ppm2 7.763 CV 1
ASSI { 1441}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HA ))
3.600 1.600 1.600 peak 1441 weight 0.20000E+01 volume 0.42271E-03 ppm1 7.375 ppm2 3.773 CV 1
ASSI { 963}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HG# ))
2.900 1.100 1.100 peak 963 weight 0.20000E+01 volume 0.14986E-02 ppm1 7.765 ppm2 1.422 CV 1
ASSI { 229}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.500 0.800 0.800 peak 229 weight 0.20000E+01 volume 0.39282E-02 ppm1 7.765 ppm2 7.379 CV 1
ASSI { 1135}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG# ))
2.600 0.900 0.900 peak 1135 weight 0.20000E+01 volume 0.28831E-02 ppm1 7.378 ppm2 1.450 CV 1
ASSI { 1443}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HG# ))
3.400 1.500 1.500 peak 1443 weight 0.20000E+01 volume 0.59286E-03 ppm1 7.722 ppm2 1.352 CV 1
ASSI { 1028}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.800 1.000 1.000 peak 1028 weight 0.20000E+01 volume 0.19082E-02 ppm1 7.723 ppm2 3.965 CV 1
ASSI { 1667}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB# ))
2.600 0.900 0.900 peak 1667 weight 0.20000E+01 volume 0.30348E-02 ppm1 7.724 ppm2 1.750 CV 1
ASSI { 317}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.100 0.500 0.500 peak 317 weight 0.20000E+01 volume 0.11510E-01 ppm1 7.376 ppm2 7.737 CV 1
ASSI { 1025}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HG# ))
3.300 1.400 1.400 peak 1025 weight 0.20000E+01 volume 0.67829E-03 ppm1 7.725 ppm2 0.523 CV 1
ASSI { 1026}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HG# ))
2.900 1.100 1.100 peak 1026 weight 0.20000E+01 volume 0.15393E-02 ppm1 7.722 ppm2 0.926 CV 1
ASSI { 1208}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HN ))
3.500 1.600 1.600 peak 1208 weight 0.20000E+01 volume 0.48788E-03 ppm1 8.044 ppm2 7.379 CV 1
ASSI { 1029}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 27 and name HE% )
4.800 2.800 1.200 peak 1029 weight 0.20000E+01 volume 0.82828E-04 ppm1 7.722 ppm2 6.719 CV 1
ASSI { 1212}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.800 1.000 1.000 peak 1212 weight 0.20000E+01 volume 0.20734E-02 ppm1 8.040 ppm2 3.791 CV 1
ASSI { 364}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB# ))
2.600 0.900 0.900 peak 364 weight 0.20000E+01 volume 0.29129E-02 ppm1 8.040 ppm2 1.223 CV 1
ASSI { 361}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
1.900 0.500 0.500 peak 361 weight 0.20000E+01 volume 0.18019E-01 ppm1 8.040 ppm2 7.723 CV 1
ASSI { 362}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.700 0.900 0.900 peak 362 weight 0.20000E+01 volume 0.26611E-02 ppm1 8.039 ppm2 5.092 CV 1
ASSI { 1215}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB# ))
2.700 0.900 0.900 peak 1215 weight 0.20000E+01 volume 0.23437E-02 ppm1 8.041 ppm2 2.647 CV 1
ASSI { 363}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB# ))
2.500 0.800 0.800 peak 363 weight 0.20000E+01 volume 0.38897E-02 ppm1 8.041 ppm2 2.892 CV 1
ASSI { 359}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HD% )
2.600 0.900 0.900 peak 359 weight 0.20000E+01 volume 0.29296E-02 ppm1 8.042 ppm2 7.154 CV 1
ASSI { 1665}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 28 and name HD# ))
4.500 2.500 1.500 peak 1665 weight 0.20000E+01 volume 0.11624E-03 ppm1 7.726 ppm2 3.281 CV 1
ASSI { 1709}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HA ))
5.000 3.100 1.000 peak 1709 weight 0.20000E+01 volume 0.62230E-04 ppm1 8.040 ppm2 4.442 CV 1
ASSI { 1200}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HA ))
3.100 1.200 1.200 peak 1200 weight 0.20000E+01 volume 0.10064E-02 ppm1 8.560 ppm2 5.094 CV 1
ASSI { 1201}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.900 1.000 1.000 peak 1201 weight 0.20000E+01 volume 0.16928E-02 ppm1 8.560 ppm2 4.447 CV 1
ASSI { 1203}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HD# ))
3.200 1.200 1.200 peak 1203 weight 0.20000E+01 volume 0.97281E-03 ppm1 8.562 ppm2 3.283 CV 1
ASSI { 355}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
2.500 0.800 0.800 peak 355 weight 0.20000E+01 volume 0.41839E-02 ppm1 8.560 ppm2 4.674 CV 1
ASSI { 356}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB# ))
2.700 0.900 0.900 peak 356 weight 0.20000E+01 volume 0.27407E-02 ppm1 8.559 ppm2 2.855 CV 1
ASSI { 1557}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HG# ))
4.900 3.000 1.100 peak 1557 weight 0.20000E+01 volume 0.72182E-04 ppm1 8.564 ppm2 1.288 CV 1
ASSI { 934}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
2.800 1.000 1.000 peak 934 weight 0.20000E+01 volume 0.19737E-02 ppm1 7.800 ppm2 4.674 CV 1
ASSI { 213}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
1.900 0.400 0.400 peak 213 weight 0.20000E+01 volume 0.20762E-01 ppm1 7.800 ppm2 8.560 CV 1
ASSI { 215}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 215 weight 0.20000E+01 volume 0.25503E-02 ppm1 7.800 ppm2 4.903 CV 1
ASSI { 940}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB# ))
2.900 1.000 1.000 peak 940 weight 0.20000E+01 volume 0.17421E-02 ppm1 7.800 ppm2 1.139 CV 1
ASSI { 1149}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB# ))
2.800 1.000 1.000 peak 1149 weight 0.20000E+01 volume 0.20451E-02 ppm1 9.131 ppm2 1.129 CV 1
ASSI { 1155}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
5.200 3.400 0.800 peak 1155 weight 0.20000E+01 volume 0.47170E-04 ppm1 9.150 ppm2 7.805 CV 1
ASSI { 326}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 31 and name HG# )
2.400 0.700 0.700 peak 326 weight 0.20000E+01 volume 0.44982E-02 ppm1 9.132 ppm2 0.397 CV 1
ASSI { 660}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB# ))
3.000 1.100 1.100 peak 660 weight 0.20000E+01 volume 0.13173E-02 ppm1 8.892 ppm2 1.857 CV 1
ASSI { 662}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB# ))
2.700 0.900 0.900 peak 662 weight 0.20000E+01 volume 0.24543E-02 ppm1 8.890 ppm2 1.584 CV 1
ASSI { 497}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
2.800 1.000 1.000 peak 497 weight 0.20000E+01 volume 0.18182E-02 ppm1 8.776 ppm2 4.927 CV 1
ASSI { 4}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HG1#))
3.100 1.200 1.200 peak 4 weight 0.20000E+01 volume 0.11477E-02 ppm1 8.776 ppm2 0.527 CV 1
ASSI { 541}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
4.700 2.700 1.300 peak 541 weight 0.20000E+01 volume 0.91829E-04 ppm1 9.116 ppm2 8.777 CV 1
ASSI { 1459}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 34 and name HG# )
4.800 2.800 1.200 peak 1459 weight 0.20000E+01 volume 0.83087E-04 ppm1 8.699 ppm2 0.638 CV 1
ASSI { 141}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
2.100 0.500 0.500 peak 141 weight 0.20000E+01 volume 0.12039E-01 ppm1 8.699 ppm2 5.722 CV 1
ASSI { 1460}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
4.400 2.400 1.600 peak 1460 weight 0.20000E+01 volume 0.13727E-03 ppm1 8.691 ppm2 9.123 CV 1
ASSI { 783}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
2.900 1.000 1.000 peak 783 weight 0.20000E+01 volume 0.17171E-02 ppm1 8.700 ppm2 4.970 CV 1
ASSI { 787}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB# ))
3.000 1.100 1.100 peak 787 weight 0.20000E+01 volume 0.12728E-02 ppm1 8.697 ppm2 1.894 CV 1
ASSI { 105}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
2.100 0.500 0.500 peak 105 weight 0.20000E+01 volume 0.11838E-01 ppm1 8.846 ppm2 4.967 CV 1
ASSI { 106}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB# ))
2.700 0.900 0.900 peak 106 weight 0.20000E+01 volume 0.25528E-02 ppm1 8.846 ppm2 2.275 CV 1
ASSI { 685}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HG# ))
3.100 1.200 1.200 peak 685 weight 0.20000E+01 volume 0.10903E-02 ppm1 8.847 ppm2 2.596 CV 1
ASSI { 1461}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
4.200 2.200 1.800 peak 1461 weight 0.20000E+01 volume 0.16765E-03 ppm1 8.845 ppm2 8.664 CV 1
ASSI { 684}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.900 1.000 1.000 peak 684 weight 0.20000E+01 volume 0.16870E-02 ppm1 8.846 ppm2 3.057 CV 1
ASSI { 687}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HG# ))
3.100 1.200 1.200 peak 687 weight 0.20000E+01 volume 0.11834E-02 ppm1 8.848 ppm2 0.861 CV 1
ASSI { 3}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 38 and name HB% )
2.100 0.500 0.500 peak 3 weight 0.20000E+01 volume 0.12185E-01 ppm1 8.899 ppm2 1.199 CV 1
ASSI { 1736}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 39 and name HD# ))
5.100 3.200 0.900 peak 1736 weight 0.20000E+01 volume 0.55738E-04 ppm1 8.068 ppm2 3.874 CV 1
ASSI { 489}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HD# ))
4.200 2.200 1.800 peak 489 weight 0.20000E+01 volume 0.16687E-03 ppm1 8.897 ppm2 3.828 CV 1
ASSI { 1241}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 38 and name HB% )
4.200 1.600 1.600 peak 1241 weight 0.20000E+01 volume 0.46079E-03 ppm1 8.435 ppm2 1.214 CV 1
ASSI { 385}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
2.100 0.500 0.500 peak 385 weight 0.20000E+01 volume 0.12552E-01 ppm1 8.433 ppm2 4.228 CV 1
ASSI { 1243}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HD# ))
3.600 1.600 1.600 peak 1243 weight 0.20000E+01 volume 0.46374E-03 ppm1 8.436 ppm2 3.853 CV 1
ASSI { 1242}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HD# ))
5.000 3.100 1.000 peak 1242 weight 0.20000E+01 volume 0.62403E-04 ppm1 8.435 ppm2 3.366 CV 1
ASSI { 1238}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HG# ))
3.200 1.300 1.300 peak 1238 weight 0.20000E+01 volume 0.87207E-03 ppm1 8.436 ppm2 2.007 CV 1
ASSI { 386}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
2.000 0.500 0.500 peak 386 weight 0.20000E+01 volume 0.16261E-01 ppm1 8.434 ppm2 4.039 CV 1
ASSI { 1464}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 37 and name HD# ))
3.700 1.700 1.700 peak 1464 weight 0.20000E+01 volume 0.35615E-03 ppm1 7.462 ppm2 1.494 CV 1
ASSI { 1466}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 37 and name HG# ))
6.000 5.000 0.000 peak 1466 weight 0.20000E+01 volume 0.15060E-04 ppm1 7.460 ppm2 0.837 CV 1
ASSI { 728}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HA ))
3.000 1.100 1.100 peak 728 weight 0.20000E+01 volume 0.12436E-02 ppm1 7.464 ppm2 4.227 CV 1
ASSI { 727}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
2.800 1.000 1.000 peak 727 weight 0.20000E+01 volume 0.19249E-02 ppm1 7.463 ppm2 4.033 CV 1
ASSI { 126}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
2.500 0.800 0.800 peak 126 weight 0.20000E+01 volume 0.35964E-02 ppm1 7.462 ppm2 8.433 CV 1
ASSI { 60}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HB% )
2.400 0.700 0.700 peak 60 weight 0.20000E+01 volume 0.46446E-02 ppm1 9.159 ppm2 1.599 CV 1
ASSI { 593}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HN ))
3.200 1.300 1.300 peak 593 weight 0.20000E+01 volume 0.92695E-03 ppm1 9.159 ppm2 7.465 CV 1
ASSI { 595}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB# ))
2.500 0.800 0.800 peak 595 weight 0.20000E+01 volume 0.37372E-02 ppm1 9.157 ppm2 2.004 CV 1
ASSI { 1590}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HD# ))
4.500 2.500 1.500 peak 1590 weight 0.20000E+01 volume 0.11823E-03 ppm1 9.150 ppm2 3.191 CV 1
ASSI { 1218}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 37 and name HG# ))
3.900 1.900 1.900 peak 1218 weight 0.20000E+01 volume 0.28588E-03 ppm1 6.926 ppm2 0.852 CV 1
ASSI { 1734}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB# ))
3.600 1.700 1.700 peak 1734 weight 0.20000E+01 volume 0.40514E-03 ppm1 6.933 ppm2 2.002 CV 1
ASSI { 1217}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB# ))
3.700 1.700 1.700 peak 1217 weight 0.20000E+01 volume 0.39163E-03 ppm1 6.935 ppm2 1.881 CV 1
ASSI { 365}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
2.300 0.600 0.600 peak 365 weight 0.20000E+01 volume 0.72010E-02 ppm1 6.931 ppm2 9.159 CV 1
ASSI { 1216}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB ))
2.700 0.900 0.900 peak 1216 weight 0.20000E+01 volume 0.33261E-02 ppm1 6.931 ppm2 2.064 CV 1
ASSI { 471}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
1.900 0.500 0.500 peak 471 weight 0.20000E+01 volume 0.18133E-01 ppm1 8.295 ppm2 4.443 CV 1
ASSI { 472}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB ))
2.200 0.600 0.600 peak 472 weight 0.20000E+01 volume 0.81720E-02 ppm1 8.295 ppm2 2.066 CV 1
ASSI { 1391}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HG1#))
3.000 1.100 1.100 peak 1391 weight 0.20000E+01 volume 0.12709E-02 ppm1 8.294 ppm2 1.443 CV 1
ASSI { 1392}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 43 and name HG# )
2.900 1.000 1.000 peak 1392 weight 0.20000E+01 volume 0.17652E-02 ppm1 8.295 ppm2 1.110 CV 1
ASSI { 1388}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HN ))
3.300 1.300 1.300 peak 1388 weight 0.20000E+01 volume 0.78016E-03 ppm1 8.298 ppm2 6.929 CV 1
ASSI { 469}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA# ))
2.000 0.500 0.500 peak 469 weight 0.20000E+01 volume 0.15774E-01 ppm1 8.296 ppm2 3.865 CV 1
ASSI { 683}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 45 and name HA ))
3.500 1.500 1.500 peak 683 weight 0.20000E+01 volume 0.56594E-03 ppm1 8.849 ppm2 4.768 CV 1
ASSI { 1472}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 37 and name HD# ))
5.400 3.700 0.600 peak 1472 weight 0.20000E+01 volume 0.37995E-04 ppm1 8.299 ppm2 1.474 CV 1
ASSI { 1389}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HA ))
4.300 2.300 1.700 peak 1389 weight 0.20000E+01 volume 0.15778E-03 ppm1 8.302 ppm2 4.770 CV 1
ASSI { 1668}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA# ))
2.900 1.100 1.100 peak 1668 weight 0.20000E+01 volume 0.15925E-02 ppm1 8.303 ppm2 3.861 CV 1
ASSI { 262}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA# ))
1.800 0.400 0.400 peak 262 weight 0.20000E+01 volume 0.25103E-01 ppm1 8.304 ppm2 4.086 CV 1
ASSI { 265}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB# ))
2.000 0.500 0.500 peak 265 weight 0.20000E+01 volume 0.14812E-01 ppm1 8.304 ppm2 2.529 CV 1
ASSI { 112}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
2.000 0.500 0.500 peak 112 weight 0.20000E+01 volume 0.13811E-01 ppm1 8.118 ppm2 4.770 CV 1
ASSI { 703}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB# ))
3.100 1.200 1.200 peak 703 weight 0.20000E+01 volume 0.10557E-02 ppm1 8.118 ppm2 2.527 CV 1
ASSI { 1032}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
3.400 1.400 1.400 peak 1032 weight 0.20000E+01 volume 0.64479E-03 ppm1 8.306 ppm2 8.123 CV 1
ASSI { 707}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 46 and name HD# )
2.700 0.900 0.900 peak 707 weight 0.20000E+01 volume 0.22794E-02 ppm1 8.120 ppm2 0.961 CV 1
ASSI { 721}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 46 and name HD# )
3.800 1.800 1.800 peak 721 weight 0.20000E+01 volume 0.30942E-03 ppm1 8.688 ppm2 0.878 CV 1
ASSI { 716}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HN ))
4.300 2.300 1.700 peak 716 weight 0.20000E+01 volume 0.15163E-03 ppm1 8.684 ppm2 8.114 CV 1
ASSI { 718}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB# ))
2.600 0.800 0.800 peak 718 weight 0.20000E+01 volume 0.30495E-02 ppm1 8.686 ppm2 2.800 CV 1
ASSI { 852}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 46 and name HD# )
2.800 1.000 1.000 peak 852 weight 0.20000E+01 volume 0.18870E-02 ppm1 7.439 ppm2 0.962 CV 1
ASSI { 853}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 46 and name HD# )
3.400 1.500 1.500 peak 853 weight 0.20000E+01 volume 0.57045E-03 ppm1 7.440 ppm2 0.898 CV 1
ASSI { 700}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 48 and name HN ))
4.400 2.400 1.600 peak 700 weight 0.20000E+01 volume 0.13337E-03 ppm1 8.115 ppm2 7.444 CV 1
ASSI { 849}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.800 1.000 1.000 peak 849 weight 0.20000E+01 volume 0.20783E-02 ppm1 7.438 ppm2 4.403 CV 1
ASSI { 850}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB# ))
3.000 1.100 1.100 peak 850 weight 0.20000E+01 volume 0.12911E-02 ppm1 7.437 ppm2 2.798 CV 1
ASSI { 717}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HN ))
2.700 0.900 0.900 peak 717 weight 0.20000E+01 volume 0.22498E-02 ppm1 8.687 ppm2 7.433 CV 1
ASSI { 848}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
2.500 0.800 0.800 peak 848 weight 0.20000E+01 volume 0.40845E-02 ppm1 7.439 ppm2 4.504 CV 1
ASSI { 184}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB# ))
2.400 0.700 0.700 peak 184 weight 0.20000E+01 volume 0.44908E-02 ppm1 7.439 ppm2 1.644 CV 1
ASSI { 1640}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HD# ))
5.000 3.100 1.000 peak 1640 weight 0.20000E+01 volume 0.64566E-04 ppm1 7.440 ppm2 1.498 CV 1
ASSI { 1641}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HD# ))
4.400 2.400 1.600 peak 1641 weight 0.20000E+01 volume 0.13865E-03 ppm1 7.449 ppm2 1.403 CV 1
ASSI { 851}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HG# ))
4.000 2.000 2.000 peak 851 weight 0.20000E+01 volume 0.24701E-03 ppm1 7.440 ppm2 1.148 CV 1
ASSI { 854}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HG# ))
3.800 1.800 1.800 peak 854 weight 0.20000E+01 volume 0.33824E-03 ppm1 7.446 ppm2 0.727 CV 1
ASSI { 932}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 34 and name HD# )
4.700 2.800 1.300 peak 932 weight 0.20000E+01 volume 0.83953E-04 ppm1 6.999 ppm2 -0.569 CV 1
ASSI { 927}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 48 and name HA ))
3.800 1.800 1.800 peak 927 weight 0.20000E+01 volume 0.54172E-03 ppm1 6.991 ppm2 4.495 CV 1
ASSI { 1478}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 48 and name HD# ))
3.500 1.500 1.500 peak 1478 weight 0.20000E+01 volume 0.52960E-03 ppm1 6.983 ppm2 1.512 CV 1
ASSI { 925}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HN ))
3.700 1.700 1.700 peak 925 weight 0.20000E+01 volume 0.39761E-03 ppm1 6.977 ppm2 8.641 CV 1
ASSI { 926}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
2.600 0.900 0.900 peak 926 weight 0.20000E+01 volume 0.28361E-02 ppm1 6.991 ppm2 5.093 CV 1
ASSI { 929}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG# ))
3.700 1.700 1.700 peak 929 weight 0.20000E+01 volume 0.38609E-03 ppm1 6.986 ppm2 1.006 CV 1
ASSI { 659}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 51 and name HB# ))
4.700 2.800 1.300 peak 659 weight 0.20000E+01 volume 0.84299E-04 ppm1 8.898 ppm2 2.645 CV 1
ASSI { 649}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 51 and name HN ))
3.000 1.100 1.100 peak 649 weight 0.20000E+01 volume 0.13168E-02 ppm1 8.891 ppm2 9.498 CV 1
ASSI { 581}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 34 and name HA ))
3.000 1.200 1.200 peak 581 weight 0.20000E+01 volume 0.11951E-02 ppm1 9.504 ppm2 4.930 CV 1
ASSI { 542}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 51 and name HD% )
4.000 2.000 2.000 peak 542 weight 0.20000E+01 volume 0.23144E-03 ppm1 9.124 ppm2 7.055 CV 1
ASSI { 588}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HG# ))
3.700 1.700 1.700 peak 588 weight 0.20000E+01 volume 0.35017E-03 ppm1 9.503 ppm2 1.003 CV 1
ASSI { 52}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HN ))
3.700 1.700 1.700 peak 52 weight 0.20000E+01 volume 0.35434E-03 ppm1 9.499 ppm2 6.952 CV 1
ASSI { 582}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HA ))
2.900 1.100 1.100 peak 582 weight 0.20000E+01 volume 0.15885E-02 ppm1 9.502 ppm2 4.461 CV 1
ASSI { 579}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HD% )
2.900 1.000 1.000 peak 579 weight 0.20000E+01 volume 0.16203E-02 ppm1 9.501 ppm2 7.057 CV 1
ASSI { 670}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 52 and name HD# )
3.500 1.500 1.500 peak 670 weight 0.20000E+01 volume 0.55288E-03 ppm1 8.891 ppm2 0.473 CV 1
ASSI { 606}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB# ))
2.900 1.000 1.000 peak 606 weight 0.20000E+01 volume 0.17462E-02 ppm1 8.598 ppm2 2.820 CV 1
ASSI { 607}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB# ))
3.100 1.200 1.200 peak 607 weight 0.20000E+01 volume 0.11676E-02 ppm1 8.594 ppm2 2.647 CV 1
ASSI { 603}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HN ))
6.000 4.500 0.000 peak 603 weight 0.20000E+01 volume 0.20339E-04 ppm1 8.594 ppm2 9.501 CV 1
ASSI { 608}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB# ))
2.700 0.900 0.900 peak 608 weight 0.20000E+01 volume 0.22605E-02 ppm1 8.594 ppm2 1.319 CV 1
ASSI { 609}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HG ))
4.600 2.600 1.400 peak 609 weight 0.20000E+01 volume 0.10697E-03 ppm1 8.599 ppm2 1.066 CV 1
ASSI { 325}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 53 and name HA ))
3.800 1.800 1.800 peak 325 weight 0.20000E+01 volume 0.30042E-03 ppm1 9.129 ppm2 4.780 CV 1
ASSI { 1156}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 53 and name HN ))
2.800 1.000 1.000 peak 1156 weight 0.20000E+01 volume 0.20985E-02 ppm1 9.128 ppm2 8.405 CV 1
ASSI { 815}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 33 and name HN ))
4.800 2.900 1.200 peak 815 weight 0.20000E+01 volume 0.74866E-04 ppm1 8.408 ppm2 8.892 CV 1
ASSI { 157}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA ))
2.100 0.500 0.500 peak 157 weight 0.20000E+01 volume 0.11744E-01 ppm1 8.405 ppm2 4.859 CV 1
ASSI { 819}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB# ))
3.100 1.200 1.200 peak 819 weight 0.20000E+01 volume 0.10728E-02 ppm1 8.407 ppm2 1.340 CV 1
ASSI { 602}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 53 and name HN ))
4.100 2.100 1.900 peak 602 weight 0.20000E+01 volume 0.21499E-03 ppm1 8.593 ppm2 8.407 CV 1
ASSI { 158}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 53 and name HG# )
2.200 0.600 0.600 peak 158 weight 0.20000E+01 volume 0.80143E-02 ppm1 8.405 ppm2 0.560 CV 1
ASSI { 1085}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 29 and name HA ))
5.100 3.200 0.900 peak 1085 weight 0.20000E+01 volume 0.57036E-04 ppm1 8.352 ppm2 4.670 CV 1
ASSI { 1682}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 29 and name HB# ))
5.100 3.300 0.900 peak 1682 weight 0.20000E+01 volume 0.53141E-04 ppm1 8.356 ppm2 2.862 CV 1
ASSI { 292}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 292 weight 0.20000E+01 volume 0.27393E-02 ppm1 8.351 ppm2 4.904 CV 1
ASSI { 1680}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 30 and name HB# ))
4.200 2.200 1.800 peak 1680 weight 0.20000E+01 volume 0.16574E-03 ppm1 8.353 ppm2 1.120 CV 1
ASSI { 1092}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 30 and name HG# ))
4.100 2.100 1.900 peak 1092 weight 0.20000E+01 volume 0.19846E-03 ppm1 8.352 ppm2 1.278 CV 1
ASSI { 1684}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 30 and name HN ))
6.000 5.200 0.000 peak 1684 weight 0.20000E+01 volume 0.13329E-04 ppm1 8.347 ppm2 7.782 CV 1
ASSI { 1093}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 31 and name HG# )
3.200 1.300 1.300 peak 1093 weight 0.20000E+01 volume 0.84446E-03 ppm1 8.351 ppm2 0.396 CV 1
ASSI { 1082}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 31 and name HN ))
3.500 1.600 1.600 peak 1082 weight 0.20000E+01 volume 0.48580E-03 ppm1 8.351 ppm2 9.133 CV 1
ASSI { 293}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.100 0.500 0.500 peak 293 weight 0.20000E+01 volume 0.11604E-01 ppm1 8.351 ppm2 4.479 CV 1
ASSI { 1479}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HD# ))
4.300 2.300 1.700 peak 1479 weight 0.20000E+01 volume 0.15856E-03 ppm1 8.350 ppm2 3.548 CV 1
ASSI { 1681}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HG# ))
5.200 3.400 0.800 peak 1681 weight 0.20000E+01 volume 0.49160E-04 ppm1 8.349 ppm2 2.239 CV 1
ASSI { 1195}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HB# ))
2.600 0.900 0.900 peak 1195 weight 0.20000E+01 volume 0.28067E-02 ppm1 8.260 ppm2 1.990 CV 1
ASSI { 345}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HN ))
2.300 0.600 0.600 peak 345 weight 0.20000E+01 volume 0.72208E-02 ppm1 8.259 ppm2 8.361 CV 1
ASSI { 348}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
2.400 0.700 0.700 peak 348 weight 0.20000E+01 volume 0.50220E-02 ppm1 8.260 ppm2 4.535 CV 1
ASSI { 350}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB# ))
2.600 0.900 0.900 peak 350 weight 0.20000E+01 volume 0.28915E-02 ppm1 8.260 ppm2 2.790 CV 1
ASSI { 1610}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 54 and name HD# ))
4.900 3.000 1.100 peak 1610 weight 0.20000E+01 volume 0.67249E-04 ppm1 7.442 ppm2 3.563 CV 1
ASSI { 1613}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 54 and name HG# ))
4.500 2.500 1.500 peak 1613 weight 0.20000E+01 volume 0.12169E-03 ppm1 7.447 ppm2 2.232 CV 1
ASSI { 677}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HA ))
3.700 1.700 1.700 peak 677 weight 0.20000E+01 volume 0.38376E-03 ppm1 7.445 ppm2 3.712 CV 1
ASSI { 1083}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 57 and name HN ))
3.800 1.800 1.800 peak 1083 weight 0.20000E+01 volume 0.31002E-03 ppm1 8.350 ppm2 7.448 CV 1
ASSI { 1480}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HA ))
4.300 2.300 1.700 peak 1480 weight 0.20000E+01 volume 0.14947E-03 ppm1 8.256 ppm2 4.267 CV 1
ASSI { 1194}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HB# ))
4.400 2.400 1.600 peak 1194 weight 0.20000E+01 volume 0.12826E-03 ppm1 8.260 ppm2 1.714 CV 1
ASSI { 1193}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HB# ))
4.400 2.400 1.600 peak 1193 weight 0.20000E+01 volume 0.13224E-03 ppm1 8.262 ppm2 1.474 CV 1
ASSI { 676}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
2.900 1.000 1.000 peak 676 weight 0.20000E+01 volume 0.16198E-02 ppm1 7.448 ppm2 4.527 CV 1
ASSI { 1611}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB# ))
6.000 4.800 0.000 peak 1611 weight 0.20000E+01 volume 0.16877E-04 ppm1 7.451 ppm2 2.790 CV 1
ASSI { 347}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HN ))
2.000 0.500 0.500 peak 347 weight 0.20000E+01 volume 0.13681E-01 ppm1 8.259 ppm2 7.449 CV 1
ASSI { 96}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB# ))
2.000 0.500 0.500 peak 96 weight 0.20000E+01 volume 0.13675E-01 ppm1 7.449 ppm2 1.708 CV 1
ASSI { 97}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB# ))
2.000 0.500 0.500 peak 97 weight 0.20000E+01 volume 0.15450E-01 ppm1 7.449 ppm2 1.480 CV 1
ASSI { 679}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 57 and name HD# )
3.000 1.100 1.100 peak 679 weight 0.20000E+01 volume 0.14413E-02 ppm1 7.449 ppm2 0.991 CV 1
ASSI { 1144}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB# ))
3.800 1.800 1.800 peak 1144 weight 0.20000E+01 volume 0.31365E-03 ppm1 8.722 ppm2 1.709 CV 1
ASSI { 1146}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 57 and name HD# )
2.600 0.800 0.800 peak 1146 weight 0.20000E+01 volume 0.31754E-02 ppm1 8.724 ppm2 0.991 CV 1
ASSI { 322}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HG ))
2.500 0.800 0.800 peak 322 weight 0.20000E+01 volume 0.39522E-02 ppm1 8.725 ppm2 2.030 CV 1
ASSI { 673}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
3.800 1.900 1.900 peak 673 weight 0.20000E+01 volume 0.29453E-03 ppm1 7.450 ppm2 8.726 CV 1
ASSI { 1143}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA ))
2.800 0.900 0.900 peak 1143 weight 0.20000E+01 volume 0.21895E-02 ppm1 8.722 ppm2 4.989 CV 1
ASSI { 323}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 58 and name HG# )
2.100 0.500 0.500 peak 323 weight 0.20000E+01 volume 0.12810E-01 ppm1 8.723 ppm2 1.264 CV 1
ASSI { 117}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
2.200 0.600 0.600 peak 117 weight 0.20000E+01 volume 0.76406E-02 ppm1 9.105 ppm2 4.982 CV 1
ASSI { 1140}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HN ))
5.100 3.200 0.900 peak 1140 weight 0.20000E+01 volume 0.55478E-04 ppm1 8.723 ppm2 9.114 CV 1
ASSI { 715}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HG# )
2.900 1.000 1.000 peak 715 weight 0.20000E+01 volume 0.17643E-02 ppm1 9.102 ppm2 0.858 CV 1
ASSI { 120}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HG# )
2.300 0.600 0.600 peak 120 weight 0.20000E+01 volume 0.69978E-02 ppm1 9.105 ppm2 0.953 CV 1
ASSI { 1405}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 58 and name HA ))
3.300 1.400 1.400 peak 1405 weight 0.20000E+01 volume 0.68911E-03 ppm1 8.922 ppm2 4.989 CV 1
ASSI { 477}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 58 and name HB ))
2.500 0.800 0.800 peak 477 weight 0.20000E+01 volume 0.35067E-02 ppm1 8.924 ppm2 4.812 CV 1
ASSI { 1407}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
3.400 1.400 1.400 peak 1407 weight 0.20000E+01 volume 0.64393E-03 ppm1 8.929 ppm2 3.677 CV 1
ASSI { 1428}
(( segid " " and resid 61 and name HE22))
(( segid " " and resid 56 and name HN ))
4.400 2.400 1.600 peak 1428 weight 0.20000E+01 volume 0.13207E-03 ppm1 6.885 ppm2 8.288 CV 1
ASSI { 1532}
(( segid " " and resid 61 and name HE21))
(( segid " " and resid 57 and name HB# ))
4.500 2.600 1.500 peak 1532 weight 0.20000E+01 volume 0.10957E-03 ppm1 7.593 ppm2 1.730 CV 1
ASSI { 1426}
(( segid " " and resid 61 and name HE22))
(( segid " " and resid 57 and name HB# ))
5.300 3.600 0.700 peak 1426 weight 0.20000E+01 volume 0.41544E-04 ppm1 6.875 ppm2 1.721 CV 1
ASSI { 1335}
(( segid " " and resid 61 and name HE22))
( segid " " and resid 57 and name HD# )
4.300 2.300 1.700 peak 1335 weight 0.20000E+01 volume 0.14376E-03 ppm1 6.865 ppm2 0.989 CV 1
ASSI { 775}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 57 and name HD# )
3.500 1.500 1.500 peak 775 weight 0.20000E+01 volume 0.50753E-03 ppm1 8.111 ppm2 0.987 CV 1
ASSI { 147}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 57 and name HG ))
3.500 1.500 1.500 peak 147 weight 0.20000E+01 volume 0.52761E-03 ppm1 8.111 ppm2 1.995 CV 1
ASSI { 1334}
(( segid " " and resid 61 and name HE22))
( segid " " and resid 58 and name HG# )
3.400 1.500 1.500 peak 1334 weight 0.20000E+01 volume 0.57477E-03 ppm1 6.885 ppm2 1.276 CV 1
ASSI { 1689}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 61 and name HE22))
5.000 3.200 1.000 peak 1689 weight 0.20000E+01 volume 0.58681E-04 ppm1 8.723 ppm2 6.853 CV 1
ASSI { 766}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 58 and name HN ))
3.300 1.300 1.300 peak 766 weight 0.20000E+01 volume 0.80604E-03 ppm1 8.111 ppm2 8.730 CV 1
ASSI { 1632}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HA ))
4.300 2.300 1.700 peak 1632 weight 0.20000E+01 volume 0.15553E-03 ppm1 8.107 ppm2 3.679 CV 1
ASSI { 709}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 61 and name HN ))
5.400 3.700 0.600 peak 709 weight 0.20000E+01 volume 0.37390E-04 ppm1 9.113 ppm2 8.126 CV 1
ASSI { 771}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA# ))
3.100 1.200 1.200 peak 771 weight 0.20000E+01 volume 0.11625E-02 ppm1 8.112 ppm2 3.932 CV 1
ASSI { 770}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA# ))
3.000 1.100 1.100 peak 770 weight 0.20000E+01 volume 0.14264E-02 ppm1 8.110 ppm2 4.091 CV 1
ASSI { 1403}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HN ))
2.900 1.100 1.100 peak 1403 weight 0.20000E+01 volume 0.15853E-02 ppm1 8.925 ppm2 8.109 CV 1
ASSI { 145}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
2.700 0.900 0.900 peak 145 weight 0.20000E+01 volume 0.26881E-02 ppm1 8.110 ppm2 4.271 CV 1
ASSI { 1456}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 62 and name HZ ))
5.700 4.100 0.300 peak 1456 weight 0.20000E+01 volume 0.27696E-04 ppm1 8.781 ppm2 6.231 CV 1
ASSI { 559}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 57 and name HD# )
2.800 1.000 1.000 peak 559 weight 0.20000E+01 volume 0.19405E-02 ppm1 8.864 ppm2 0.982 CV 1
ASSI { 1585}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 57 and name HG ))
3.600 1.600 1.600 peak 1585 weight 0.20000E+01 volume 0.47274E-03 ppm1 8.862 ppm2 2.033 CV 1
ASSI { 773}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HB# ))
4.000 2.000 2.000 peak 773 weight 0.20000E+01 volume 0.21958E-03 ppm1 8.115 ppm2 3.143 CV 1
ASSI { 772}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HB# ))
5.000 3.100 1.000 peak 772 weight 0.20000E+01 volume 0.63094E-04 ppm1 8.110 ppm2 3.258 CV 1
ASSI { 561}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB# ))
2.800 1.000 1.000 peak 561 weight 0.20000E+01 volume 0.18637E-02 ppm1 8.861 ppm2 2.529 CV 1
ASSI { 44}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HN ))
2.500 0.800 0.800 peak 44 weight 0.20000E+01 volume 0.37175E-02 ppm1 8.860 ppm2 8.111 CV 1
ASSI { 46}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB# ))
2.000 0.500 0.500 peak 46 weight 0.20000E+01 volume 0.14985E-01 ppm1 8.861 ppm2 3.134 CV 1
ASSI { 45}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB# ))
2.300 0.700 0.700 peak 45 weight 0.20000E+01 volume 0.67292E-02 ppm1 8.862 ppm2 3.261 CV 1
ASSI { 1054}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 59 and name HA ))
3.700 1.700 1.700 peak 1054 weight 0.20000E+01 volume 0.38609E-03 ppm1 9.119 ppm2 3.685 CV 1
ASSI { 1069}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HN ))
4.200 2.200 1.800 peak 1069 weight 0.20000E+01 volume 0.18443E-03 ppm1 9.116 ppm2 8.108 CV 1
ASSI { 1052}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB# ))
2.400 0.700 0.700 peak 1052 weight 0.20000E+01 volume 0.53372E-02 ppm1 9.118 ppm2 3.258 CV 1
ASSI { 42}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HN ))
2.500 0.800 0.800 peak 42 weight 0.20000E+01 volume 0.36199E-02 ppm1 8.861 ppm2 9.122 CV 1
ASSI { 1061}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 63 and name HD% )
2.700 0.900 0.900 peak 1061 weight 0.20000E+01 volume 0.24447E-02 ppm1 9.118 ppm2 6.298 CV 1
ASSI { 1060}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 63 and name HE% )
6.000 4.500 0.000 peak 1060 weight 0.20000E+01 volume 0.19907E-04 ppm1 9.115 ppm2 6.132 CV 1
ASSI { 1114}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 61 and name HA ))
3.300 1.300 1.300 peak 1114 weight 0.20000E+01 volume 0.78111E-03 ppm1 7.370 ppm2 4.269 CV 1
ASSI { 568}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 64 and name HN ))
4.300 2.300 1.700 peak 568 weight 0.20000E+01 volume 0.15752E-03 ppm1 8.861 ppm2 7.370 CV 1
ASSI { 306}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB# ))
2.700 0.900 0.900 peak 306 weight 0.20000E+01 volume 0.25615E-02 ppm1 7.368 ppm2 2.736 CV 1
ASSI { 1116}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 63 and name HD% )
3.000 1.100 1.100 peak 1116 weight 0.20000E+01 volume 0.12893E-02 ppm1 7.371 ppm2 6.299 CV 1
ASSI { 275}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
2.600 0.900 0.900 peak 275 weight 0.20000E+01 volume 0.28595E-02 ppm1 9.117 ppm2 7.368 CV 1
ASSI { 303}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB# ))
2.200 0.600 0.600 peak 303 weight 0.20000E+01 volume 0.86077E-02 ppm1 7.369 ppm2 3.284 CV 1
ASSI { 1645}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 61 and name HA ))
4.600 2.600 1.400 peak 1645 weight 0.20000E+01 volume 0.10299E-03 ppm1 7.572 ppm2 4.271 CV 1
ASSI { 874}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HA ))
2.900 1.000 1.000 peak 874 weight 0.20000E+01 volume 0.16339E-02 ppm1 7.572 ppm2 4.459 CV 1
ASSI { 1484}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 65 and name HN ))
5.200 3.300 0.800 peak 1484 weight 0.20000E+01 volume 0.49853E-04 ppm1 9.119 ppm2 7.565 CV 1
ASSI { 875}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
3.500 1.600 1.600 peak 875 weight 0.20000E+01 volume 0.49549E-03 ppm1 7.572 ppm2 4.023 CV 1
ASSI { 190}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB# ))
1.900 0.400 0.400 peak 190 weight 0.20000E+01 volume 0.21079E-01 ppm1 7.572 ppm2 1.804 CV 1
ASSI { 878}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HD# )
3.300 1.400 1.400 peak 878 weight 0.20000E+01 volume 0.68521E-03 ppm1 7.571 ppm2 0.843 CV 1
ASSI { 880}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HG1#))
4.300 2.300 1.700 peak 880 weight 0.20000E+01 volume 0.14851E-03 ppm1 7.569 ppm2 0.411 CV 1
ASSI { 186}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HN ))
2.300 0.600 0.600 peak 186 weight 0.20000E+01 volume 0.68538E-02 ppm1 7.572 ppm2 7.820 CV 1
ASSI { 204}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HG1#))
2.200 0.600 0.600 peak 204 weight 0.20000E+01 volume 0.75117E-02 ppm1 7.818 ppm2 0.687 CV 1
ASSI { 914}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HG1#))
2.700 0.900 0.900 peak 914 weight 0.20000E+01 volume 0.26738E-02 ppm1 7.820 ppm2 0.429 CV 1
ASSI { 1040}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 64 and name HA ))
2.900 1.000 1.000 peak 1040 weight 0.20000E+01 volume 0.17034E-02 ppm1 8.535 ppm2 4.021 CV 1
ASSI { 872}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 67 and name HN ))
4.000 2.000 2.000 peak 872 weight 0.20000E+01 volume 0.22520E-03 ppm1 7.574 ppm2 8.533 CV 1
ASSI { 1673}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HG1#))
4.200 2.200 1.800 peak 1673 weight 0.20000E+01 volume 0.17889E-03 ppm1 8.539 ppm2 0.684 CV 1
ASSI { 1034}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 66 and name HG# )
3.000 1.200 1.200 peak 1034 weight 0.20000E+01 volume 0.12054E-02 ppm1 8.537 ppm2 0.357 CV 1
ASSI { 255}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HN ))
2.300 0.600 0.600 peak 255 weight 0.20000E+01 volume 0.71072E-02 ppm1 8.535 ppm2 7.817 CV 1
ASSI { 259}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB# ))
1.900 0.400 0.400 peak 259 weight 0.20000E+01 volume 0.22738E-01 ppm1 8.536 ppm2 1.619 CV 1
ASSI { 1037}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG# ))
2.900 1.100 1.100 peak 1037 weight 0.20000E+01 volume 0.15824E-02 ppm1 8.535 ppm2 1.161 CV 1
ASSI { 1184}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
2.900 1.100 1.100 peak 1184 weight 0.20000E+01 volume 0.15240E-02 ppm1 7.345 ppm2 3.397 CV 1
ASSI { 1188}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HG# ))
3.600 1.600 1.600 peak 1188 weight 0.20000E+01 volume 0.46529E-03 ppm1 7.350 ppm2 1.166 CV 1
ASSI { 341} { symcalib c3704}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
2.400 0.700 0.700 peak 341 weight 0.20000E+01 volume 0.13163E-01 ppm1 7.345 ppm2 3.995 CV 1
ASSI { 239}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 65 and name HA ))
3.400 1.500 1.500 peak 239 weight 0.20000E+01 volume 0.58715E-03 ppm1 7.524 ppm2 3.918 CV 1
ASSI { 1001}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 66 and name HD# )
4.200 2.200 1.800 peak 1001 weight 0.20000E+01 volume 0.18608E-03 ppm1 7.531 ppm2 -0.127 CV 1
ASSI { 1002}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 66 and name HG# )
5.000 3.200 1.000 peak 1002 weight 0.20000E+01 volume 0.58854E-04 ppm1 7.528 ppm2 0.358 CV 1
ASSI { 1012}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 67 and name HN ))
4.500 2.600 1.500 peak 1012 weight 0.20000E+01 volume 0.10966E-03 ppm1 7.523 ppm2 8.536 CV 1
ASSI { 1007}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HD# ))
3.200 1.200 1.200 peak 1007 weight 0.20000E+01 volume 0.96660E-03 ppm1 7.525 ppm2 3.283 CV 1
ASSI { 240}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HG# ))
2.200 0.600 0.600 peak 240 weight 0.20000E+01 volume 0.79369E-02 ppm1 7.526 ppm2 1.904 CV 1
ASSI { 1390}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 70 and name HB ))
2.700 0.900 0.900 peak 1390 weight 0.20000E+01 volume 0.25431E-02 ppm1 8.294 ppm2 1.754 CV 1
ASSI { 1033}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 70 and name HG# )
4.900 3.000 1.100 peak 1033 weight 0.20000E+01 volume 0.71144E-04 ppm1 8.308 ppm2 0.736 CV 1
ASSI { 1475}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 70 and name HG# )
4.900 3.000 1.100 peak 1475 weight 0.20000E+01 volume 0.68634E-04 ppm1 8.689 ppm2 0.747 CV 1
ASSI { 1255}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 66 and name HG# )
3.900 1.900 1.900 peak 1255 weight 0.20000E+01 volume 0.29037E-03 ppm1 7.491 ppm2 0.362 CV 1
ASSI { 394}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
2.600 0.800 0.800 peak 394 weight 0.20000E+01 volume 0.31680E-02 ppm1 7.492 ppm2 4.184 CV 1
ASSI { 1256}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 70 and name HD# )
2.900 1.000 1.000 peak 1256 weight 0.20000E+01 volume 0.17536E-02 ppm1 7.493 ppm2 0.457 CV 1
ASSI { 1172}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HG1#))
3.400 1.500 1.500 peak 1172 weight 0.20000E+01 volume 0.59763E-03 ppm1 7.496 ppm2 1.330 CV 1
ASSI { 1173}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HG1#))
3.500 1.500 1.500 peak 1173 weight 0.20000E+01 volume 0.50597E-03 ppm1 7.499 ppm2 0.926 CV 1
ASSI { 1174}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 70 and name HG# )
3.700 1.700 1.700 peak 1174 weight 0.20000E+01 volume 0.38160E-03 ppm1 7.499 ppm2 0.736 CV 1
ASSI { 1175}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB# ))
2.900 1.100 1.100 peak 1175 weight 0.20000E+01 volume 0.15061E-02 ppm1 7.502 ppm2 3.469 CV 1
ASSI { 1178}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HD# ))
4.600 2.600 1.400 peak 1178 weight 0.20000E+01 volume 0.10179E-03 ppm1 7.500 ppm2 7.121 CV 1
ASSI { 936}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 67 and name HA ))
2.900 1.000 1.000 peak 936 weight 0.20000E+01 volume 0.17003E-02 ppm1 7.802 ppm2 3.402 CV 1
ASSI { 935}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 68 and name HA ))
3.400 1.500 1.500 peak 935 weight 0.20000E+01 volume 0.57434E-03 ppm1 7.802 ppm2 4.004 CV 1
ASSI { 1263}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 72 and name HN ))
4.000 2.000 2.000 peak 1263 weight 0.20000E+01 volume 0.24226E-03 ppm1 7.489 ppm2 7.806 CV 1
ASSI { 221}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.000 0.500 0.500 peak 221 weight 0.20000E+01 volume 0.13504E-01 ppm1 7.802 ppm2 4.215 CV 1
ASSI { 941}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HD# )
2.600 0.900 0.900 peak 941 weight 0.20000E+01 volume 0.29226E-02 ppm1 7.801 ppm2 0.873 CV 1
ASSI { 689}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 72 and name HD# )
2.800 1.000 1.000 peak 689 weight 0.20000E+01 volume 0.18457E-02 ppm1 9.116 ppm2 0.876 CV 1
ASSI { 697}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HN ))
3.800 1.800 1.800 peak 697 weight 0.20000E+01 volume 0.31297E-03 ppm1 9.119 ppm2 7.800 CV 1
ASSI { 110}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HG# ))
2.300 0.700 0.700 peak 110 weight 0.20000E+01 volume 0.58815E-02 ppm1 9.116 ppm2 1.759 CV 1
ASSI { 600}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB# ))
4.200 2.200 1.800 peak 600 weight 0.20000E+01 volume 0.18107E-03 ppm1 8.765 ppm2 2.111 CV 1
ASSI { 601}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 74 and name HB% )
3.100 1.200 1.200 peak 601 weight 0.20000E+01 volume 0.11619E-02 ppm1 8.762 ppm2 1.391 CV 1
ASSI { 1329}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 73 and name HA ))
4.100 2.100 1.900 peak 1329 weight 0.20000E+01 volume 0.20953E-03 ppm1 8.805 ppm2 4.358 CV 1
ASSI { 1322}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 73 and name HB# ))
2.900 1.000 1.000 peak 1322 weight 0.20000E+01 volume 0.16977E-02 ppm1 8.801 ppm2 1.662 CV 1
ASSI { 1723}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 73 and name HD# ))
5.000 3.100 1.000 peak 1723 weight 0.20000E+01 volume 0.61710E-04 ppm1 8.809 ppm2 3.211 CV 1
ASSI { 1331}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 73 and name HN ))
3.500 1.500 1.500 peak 1331 weight 0.20000E+01 volume 0.51454E-03 ppm1 8.802 ppm2 9.119 CV 1
ASSI { 1328}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
3.100 1.200 1.200 peak 1328 weight 0.20000E+01 volume 0.11033E-02 ppm1 8.800 ppm2 3.855 CV 1
ASSI { 436}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 74 and name HB% )
2.500 0.800 0.800 peak 436 weight 0.20000E+01 volume 0.38645E-02 ppm1 8.799 ppm2 1.389 CV 1
ASSI { 435}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB# ))
2.200 0.600 0.600 peak 435 weight 0.20000E+01 volume 0.81283E-02 ppm1 8.800 ppm2 1.994 CV 1
ASSI { 419}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HG# ))
2.600 0.800 0.800 peak 419 weight 0.20000E+01 volume 0.31198E-02 ppm1 8.799 ppm2 2.210 CV 1
ASSI { 1634}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 72 and name HA ))
4.200 2.200 1.800 peak 1634 weight 0.20000E+01 volume 0.16609E-03 ppm1 7.472 ppm2 4.509 CV 1
ASSI { 806}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 72 and name HD# )
3.600 1.600 1.600 peak 806 weight 0.20000E+01 volume 0.43214E-03 ppm1 7.473 ppm2 0.875 CV 1
ASSI { 692}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 76 and name HB# ))
3.000 1.100 1.100 peak 692 weight 0.20000E+01 volume 0.12521E-02 ppm1 9.116 ppm2 2.756 CV 1
ASSI { 693}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 76 and name HB# ))
2.900 1.000 1.000 peak 693 weight 0.20000E+01 volume 0.16389E-02 ppm1 9.117 ppm2 2.849 CV 1
ASSI { 155}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 73 and name HG# ))
5.100 3.200 0.900 peak 155 weight 0.20000E+01 volume 0.55392E-04 ppm1 7.473 ppm2 1.769 CV 1
ASSI { 696}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 76 and name HN ))
3.400 1.400 1.400 peak 696 weight 0.20000E+01 volume 0.62108E-03 ppm1 9.113 ppm2 7.473 CV 1
ASSI { 812}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 74 and name HA ))
4.400 2.500 1.600 peak 812 weight 0.20000E+01 volume 0.12342E-03 ppm1 7.472 ppm2 3.856 CV 1
ASSI { 813}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
3.000 1.100 1.100 peak 813 weight 0.20000E+01 volume 0.12850E-02 ppm1 7.474 ppm2 4.098 CV 1
ASSI { 809}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB# ))
3.000 1.100 1.100 peak 809 weight 0.20000E+01 volume 0.13152E-02 ppm1 7.473 ppm2 1.985 CV 1
ASSI { 149}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HN ))
2.300 0.700 0.700 peak 149 weight 0.20000E+01 volume 0.60925E-02 ppm1 7.471 ppm2 8.798 CV 1
ASSI { 152}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
2.500 0.800 0.800 peak 152 weight 0.20000E+01 volume 0.37073E-02 ppm1 7.472 ppm2 4.639 CV 1
ASSI { 154}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB# ))
2.000 0.500 0.500 peak 154 weight 0.20000E+01 volume 0.13482E-01 ppm1 7.472 ppm2 2.757 CV 1
ASSI { 153}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB# ))
2.200 0.600 0.600 peak 153 weight 0.20000E+01 volume 0.88071E-02 ppm1 7.472 ppm2 2.846 CV 1
ASSI { 1570}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 72 and name HA ))
4.300 2.300 1.700 peak 1570 weight 0.20000E+01 volume 0.15120E-03 ppm1 8.475 ppm2 4.464 CV 1
ASSI { 522}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 72 and name HD# )
3.400 1.500 1.500 peak 522 weight 0.20000E+01 volume 0.59027E-03 ppm1 8.475 ppm2 0.848 CV 1
ASSI { 20}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HA ))
1.900 0.400 0.400 peak 20 weight 0.20000E+01 volume 0.22681E-01 ppm1 8.474 ppm2 4.640 CV 1
ASSI { 521}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB# ))
2.600 0.900 0.900 peak 521 weight 0.20000E+01 volume 0.29565E-02 ppm1 8.474 ppm2 2.757 CV 1
ASSI { 22}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB# ))
2.400 0.700 0.700 peak 22 weight 0.20000E+01 volume 0.44383E-02 ppm1 8.472 ppm2 2.854 CV 1
ASSI { 520}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
3.600 1.500 1.500 peak 520 weight 0.20000E+01 volume 0.11482E-02 ppm1 8.476 ppm2 7.475 CV 1
ASSI { 23}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 77 and name HB% )
2.000 0.500 0.500 peak 23 weight 0.20000E+01 volume 0.14586E-01 ppm1 8.474 ppm2 1.428 CV 1
ASSI { 310}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 77 and name HB% )
2.200 0.600 0.600 peak 310 weight 0.20000E+01 volume 0.77666E-02 ppm1 6.969 ppm2 1.426 CV 1
ASSI { 518} {calib n1124}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 78 and name HN ))
3.200 1.300 1.300 peak 518 weight 0.20000E+01 volume 0.14751E-02 ppm1 8.475 ppm2 6.968 CV 1
ASSI { 308}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
2.700 0.900 0.900 peak 308 weight 0.20000E+01 volume 0.25299E-02 ppm1 6.969 ppm2 4.545 CV 1
ASSI { 1125}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HN ))
3.800 1.800 1.800 peak 1125 weight 0.20000E+01 volume 0.30621E-03 ppm1 6.969 ppm2 9.165 CV 1
ASSI { 642}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA ))
2.700 0.900 0.900 peak 642 weight 0.20000E+01 volume 0.23714E-02 ppm1 9.164 ppm2 4.698 CV 1
ASSI { 643}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB# ))
2.700 0.900 0.900 peak 643 weight 0.20000E+01 volume 0.23053E-02 ppm1 9.165 ppm2 2.523 CV 1
ASSI { 644}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB# ))
2.400 0.800 0.800 peak 644 weight 0.20000E+01 volume 0.44171E-02 ppm1 9.165 ppm2 2.603 CV 1
ASSI { 1063}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 80 and name HE% )
3.000 1.100 1.100 peak 1063 weight 0.20000E+01 volume 0.12845E-02 ppm1 9.118 ppm2 6.654 CV 1
ASSI { 896}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 63 and name HE% )
2.600 0.900 0.900 peak 896 weight 0.20000E+01 volume 0.28097E-02 ppm1 7.869 ppm2 6.126 CV 1
ASSI { 1062}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 80 and name HZ ))
3.900 1.900 1.900 peak 1062 weight 0.20000E+01 volume 0.26268E-03 ppm1 9.120 ppm2 6.391 CV 1
ASSI { 1685}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 80 and name HZ ))
4.200 2.200 1.800 peak 1685 weight 0.20000E+01 volume 0.17959E-03 ppm1 7.367 ppm2 6.412 CV 1
ASSI { 1486}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 80 and name HZ ))
5.100 3.200 0.900 peak 1486 weight 0.20000E+01 volume 0.57383E-04 ppm1 7.569 ppm2 6.408 CV 1
ASSI { 921}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 80 and name HZ ))
3.500 1.500 1.500 peak 921 weight 0.20000E+01 volume 0.50649E-03 ppm1 7.815 ppm2 6.406 CV 1
ASSI { 1042}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 80 and name HZ ))
4.400 2.400 1.600 peak 1042 weight 0.20000E+01 volume 0.13666E-03 ppm1 8.534 ppm2 6.383 CV 1
ASSI { 199}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA ))
2.000 0.500 0.500 peak 199 weight 0.20000E+01 volume 0.12947E-01 ppm1 7.870 ppm2 4.705 CV 1
ASSI { 901}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HB# ))
2.700 0.900 0.900 peak 901 weight 0.20000E+01 volume 0.23752E-02 ppm1 7.872 ppm2 2.520 CV 1
ASSI { 636}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HN ))
4.100 2.100 1.900 peak 636 weight 0.20000E+01 volume 0.19707E-03 ppm1 9.170 ppm2 7.869 CV 1
ASSI { 897}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA ))
2.900 1.100 1.100 peak 897 weight 0.20000E+01 volume 0.15109E-02 ppm1 7.870 ppm2 6.012 CV 1
ASSI { 899}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HB# ))
2.900 1.000 1.000 peak 899 weight 0.20000E+01 volume 0.16777E-02 ppm1 7.868 ppm2 2.917 CV 1
ASSI { 200}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HB# ))
2.600 0.900 0.900 peak 200 weight 0.20000E+01 volume 0.27993E-02 ppm1 7.869 ppm2 2.805 CV 1
ASSI { 894}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 80 and name HD% )
2.900 1.000 1.000 peak 894 weight 0.20000E+01 volume 0.17470E-02 ppm1 7.871 ppm2 6.806 CV 1
ASSI { 1284}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HB# ))
2.400 0.700 0.700 peak 1284 weight 0.20000E+01 volume 0.51765E-02 ppm1 9.086 ppm2 2.915 CV 1
ASSI { 892}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HN ))
3.900 1.900 1.900 peak 892 weight 0.20000E+01 volume 0.27254E-03 ppm1 7.872 ppm2 9.103 CV 1
ASSI { 403}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB# ))
2.600 0.800 0.800 peak 403 weight 0.20000E+01 volume 0.30724E-02 ppm1 9.085 ppm2 2.793 CV 1
ASSI { 1289}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 81 and name HD% )
2.600 0.800 0.800 peak 1289 weight 0.20000E+01 volume 0.33854E-02 ppm1 9.082 ppm2 6.901 CV 1
ASSI { 133}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HA ))
2.000 0.500 0.500 peak 133 weight 0.20000E+01 volume 0.15167E-01 ppm1 9.341 ppm2 5.074 CV 1
ASSI { 740}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB# ))
3.100 1.200 1.200 peak 740 weight 0.20000E+01 volume 0.98975E-03 ppm1 9.341 ppm2 2.656 CV 1
ASSI { 1290}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 82 and name HN ))
3.600 1.600 1.600 peak 1290 weight 0.20000E+01 volume 0.41561E-03 ppm1 9.088 ppm2 9.337 CV 1
ASSI { 736}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HA ))
2.900 1.000 1.000 peak 736 weight 0.20000E+01 volume 0.16716E-02 ppm1 9.343 ppm2 4.550 CV 1
ASSI { 40}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HA ))
2.200 0.600 0.600 peak 40 weight 0.20000E+01 volume 0.76593E-02 ppm1 9.838 ppm2 4.547 CV 1
ASSI { 550}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 82 and name HG# )
3.300 1.300 1.300 peak 550 weight 0.20000E+01 volume 0.78898E-03 ppm1 9.830 ppm2 0.642 CV 1
ASSI { 733}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 83 and name HN ))
4.600 2.700 1.400 peak 733 weight 0.20000E+01 volume 0.10023E-03 ppm1 9.349 ppm2 9.843 CV 1
ASSI { 1397}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 81 and name HB# ))
3.200 1.200 1.200 peak 1397 weight 0.20000E+01 volume 0.97702E-03 ppm1 8.164 ppm2 2.676 CV 1
ASSI { 1400}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 82 and name HA ))
4.300 2.300 1.700 peak 1400 weight 0.20000E+01 volume 0.15415E-03 ppm1 8.163 ppm2 4.536 CV 1
ASSI { 556}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HA ))
4.500 2.500 1.500 peak 556 weight 0.20000E+01 volume 0.12013E-03 ppm1 9.831 ppm2 4.052 CV 1
ASSI { 1337}
(( segid " " and resid 84 and name HD22))
(( segid " " and resid 84 and name HB# ))
3.100 1.200 1.200 peak 1337 weight 0.20000E+01 volume 0.10787E-02 ppm1 6.650 ppm2 3.034 CV 1
ASSI { 998}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 81 and name HA ))
3.100 1.200 1.200 peak 998 weight 0.20000E+01 volume 0.10183E-02 ppm1 8.182 ppm2 5.075 CV 1
ASSI { 993}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 81 and name HB# ))
3.600 1.600 1.600 peak 993 weight 0.20000E+01 volume 0.46962E-03 ppm1 8.183 ppm2 2.765 CV 1
ASSI { 997}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 82 and name HA ))
3.500 1.500 1.500 peak 997 weight 0.20000E+01 volume 0.54811E-03 ppm1 8.180 ppm2 4.569 CV 1
ASSI { 992}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 82 and name HG# )
4.000 2.000 2.000 peak 992 weight 0.20000E+01 volume 0.22226E-03 ppm1 8.185 ppm2 0.847 CV 1
ASSI { 232}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 82 and name HN ))
2.300 0.600 0.600 peak 232 weight 0.20000E+01 volume 0.71909E-02 ppm1 8.181 ppm2 9.344 CV 1
ASSI { 1542}
(( segid " " and resid 83 and name HD21))
( segid " " and resid 85 and name HG# )
6.000 5.300 0.000 peak 1542 weight 0.20000E+01 volume 0.12550E-04 ppm1 9.006 ppm2 0.958 CV 1
ASSI { 996}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 83 and name HA ))
4.100 2.100 1.900 peak 996 weight 0.20000E+01 volume 0.18790E-03 ppm1 8.178 ppm2 4.314 CV 1
ASSI { 1496}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 85 and name HG# )
5.600 3.900 0.400 peak 1496 weight 0.20000E+01 volume 0.32543E-04 ppm1 8.167 ppm2 0.970 CV 1
ASSI { 1654}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HA ))
2.900 1.000 1.000 peak 1654 weight 0.20000E+01 volume 0.16565E-02 ppm1 8.180 ppm2 4.052 CV 1
ASSI { 234}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HA ))
3.400 1.400 1.400 peak 234 weight 0.20000E+01 volume 0.61225E-03 ppm1 8.181 ppm2 4.688 CV 1
ASSI { 236}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 85 and name HG# )
2.000 0.500 0.500 peak 236 weight 0.20000E+01 volume 0.14429E-01 ppm1 8.184 ppm2 0.971 CV 1
ASSI { 902}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 86 and name HG# )
3.100 1.200 1.200 peak 902 weight 0.20000E+01 volume 0.11115E-02 ppm1 7.872 ppm2 1.155 CV 1
ASSI { 735}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 86 and name HA ))
2.700 0.900 0.900 peak 735 weight 0.20000E+01 volume 0.24825E-02 ppm1 9.340 ppm2 5.188 CV 1
ASSI { 13}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HA ))
1.900 0.500 0.500 peak 13 weight 0.20000E+01 volume 0.18656E-01 ppm1 8.496 ppm2 4.685 CV 1
ASSI { 999}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 86 and name HN ))
3.300 1.400 1.400 peak 999 weight 0.20000E+01 volume 0.70763E-03 ppm1 8.183 ppm2 8.502 CV 1
ASSI { 515}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HA ))
2.800 1.000 1.000 peak 515 weight 0.20000E+01 volume 0.18251E-02 ppm1 8.495 ppm2 5.191 CV 1
ASSI { 15}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB ))
2.000 0.500 0.500 peak 15 weight 0.20000E+01 volume 0.14777E-01 ppm1 8.497 ppm2 1.756 CV 1
ASSI { 513}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 86 and name HG# )
3.100 1.200 1.200 peak 513 weight 0.20000E+01 volume 0.11073E-02 ppm1 8.496 ppm2 1.160 CV 1
ASSI { 898}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 87 and name HD# ))
4.900 3.000 1.100 peak 898 weight 0.20000E+01 volume 0.67075E-04 ppm1 7.870 ppm2 4.089 CV 1
ASSI { 738}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 87 and name HD# ))
3.200 1.300 1.300 peak 738 weight 0.20000E+01 volume 0.82750E-03 ppm1 9.339 ppm2 3.938 CV 1
ASSI { 995}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 87 and name HD# ))
4.800 2.900 1.200 peak 995 weight 0.20000E+01 volume 0.73480E-04 ppm1 8.183 ppm2 3.941 CV 1
ASSI { 514}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HD# ))
4.000 2.000 2.000 peak 514 weight 0.20000E+01 volume 0.22616E-03 ppm1 8.494 ppm2 3.933 CV 1
ASSI { 1251}
(( segid " " and resid 89 and name HN ))
( segid " " and resid 59 and name HG# )
3.900 1.900 1.900 peak 1251 weight 0.20000E+01 volume 0.28553E-03 ppm1 8.592 ppm2 0.858 CV 1
ASSI { 1499}
(( segid " " and resid 89 and name HN ))
( segid " " and resid 59 and name HG# )
5.200 3.300 0.800 peak 1499 weight 0.20000E+01 volume 0.50372E-04 ppm1 8.592 ppm2 0.964 CV 1
ASSI { 1406}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 89 and name HB ))
2.700 0.900 0.900 peak 1406 weight 0.20000E+01 volume 0.27415E-02 ppm1 8.925 ppm2 4.244 CV 1
ASSI { 1250}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HB# ))
2.800 1.000 1.000 peak 1250 weight 0.20000E+01 volume 0.19727E-02 ppm1 8.591 ppm2 2.037 CV 1
ASSI { 1248}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HB# ))
2.700 0.900 0.900 peak 1248 weight 0.20000E+01 volume 0.23082E-02 ppm1 8.593 ppm2 2.443 CV 1
ASSI { 391}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA ))
2.600 0.900 0.900 peak 391 weight 0.20000E+01 volume 0.30088E-02 ppm1 8.593 ppm2 3.878 CV 1
ASSI { 1246}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HB ))
2.800 1.000 1.000 peak 1246 weight 0.20000E+01 volume 0.17854E-02 ppm1 8.593 ppm2 4.251 CV 1
ASSI { 1353}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 88 and name HB# ))
3.000 1.100 1.100 peak 1353 weight 0.20000E+01 volume 0.12730E-02 ppm1 7.776 ppm2 2.044 CV 1
ASSI { 1713}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 90 and name HB# ))
5.400 3.600 0.600 peak 1713 weight 0.20000E+01 volume 0.39727E-04 ppm1 8.594 ppm2 4.126 CV 1
ASSI { 1357}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HB ))
3.500 1.500 1.500 peak 1357 weight 0.20000E+01 volume 0.52847E-03 ppm1 7.779 ppm2 4.244 CV 1
ASSI { 1359}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HN ))
2.800 0.900 0.900 peak 1359 weight 0.20000E+01 volume 0.21961E-02 ppm1 7.776 ppm2 8.593 CV 1
ASSI { 1358}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HA ))
2.700 0.900 0.900 peak 1358 weight 0.20000E+01 volume 0.24071E-02 ppm1 7.778 ppm2 4.426 CV 1
ASSI { 1356}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB# ))
3.300 1.300 1.300 peak 1356 weight 0.20000E+01 volume 0.79557E-03 ppm1 7.774 ppm2 4.104 CV 1
ASSI { 614}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 58 and name HG# )
3.300 1.400 1.400 peak 614 weight 0.20000E+01 volume 0.71300E-03 ppm1 7.285 ppm2 1.258 CV 1
ASSI { 617}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 59 and name HB ))
3.200 1.300 1.300 peak 617 weight 0.20000E+01 volume 0.95351E-03 ppm1 7.283 ppm2 2.411 CV 1
ASSI { 612}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 59 and name HG# )
3.400 1.500 1.500 peak 612 weight 0.20000E+01 volume 0.57503E-03 ppm1 7.283 ppm2 0.864 CV 1
ASSI { 613}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 59 and name HG# )
2.700 0.900 0.900 peak 613 weight 0.20000E+01 volume 0.24012E-02 ppm1 7.284 ppm2 0.946 CV 1
ASSI { 624}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 59 and name HN ))
3.500 1.500 1.500 peak 624 weight 0.20000E+01 volume 0.52371E-03 ppm1 7.285 ppm2 9.102 CV 1
ASSI { 1404}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 91 and name HN ))
5.500 3.700 0.500 peak 1404 weight 0.20000E+01 volume 0.36264E-04 ppm1 8.928 ppm2 7.282 CV 1
ASSI { 615}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 88 and name HB# ))
2.900 1.100 1.100 peak 615 weight 0.20000E+01 volume 0.15540E-02 ppm1 7.283 ppm2 2.043 CV 1
ASSI { 1554}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 88 and name HD# ))
4.200 2.200 1.800 peak 1554 weight 0.20000E+01 volume 0.18280E-03 ppm1 7.283 ppm2 3.583 CV 1
ASSI { 616}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 88 and name HG# ))
2.800 1.000 1.000 peak 616 weight 0.20000E+01 volume 0.19210E-02 ppm1 7.283 ppm2 2.182 CV 1
ASSI { 1245}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 91 and name HN ))
3.600 1.600 1.600 peak 1245 weight 0.20000E+01 volume 0.45352E-03 ppm1 8.594 ppm2 7.284 CV 1
ASSI { 619}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB# ))
3.800 1.800 1.800 peak 619 weight 0.20000E+01 volume 0.34031E-03 ppm1 7.282 ppm2 4.109 CV 1
ASSI { 65}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HN ))
2.700 0.900 0.900 peak 65 weight 0.20000E+01 volume 0.24674E-02 ppm1 7.283 ppm2 7.779 CV 1
ASSI { 620}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HA ))
2.400 0.700 0.700 peak 620 weight 0.20000E+01 volume 0.52424E-02 ppm1 7.283 ppm2 4.505 CV 1
ASSI { 1192}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 92 and name HG# )
4.800 2.900 1.200 peak 1192 weight 0.20000E+01 volume 0.75990E-04 ppm1 8.254 ppm2 1.216 CV 1
ASSI { 675}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 92 and name HA ))
4.100 2.100 1.900 peak 675 weight 0.20000E+01 volume 0.21560E-03 ppm1 7.450 ppm2 4.897 CV 1
ASSI { 458}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HA ))
2.000 0.500 0.500 peak 458 weight 0.20000E+01 volume 0.17303E-01 ppm1 8.184 ppm2 4.505 CV 1
ASSI { 460}
(( segid " " and resid 92 and name HN ))
( segid " " and resid 91 and name HB% )
2.100 0.500 0.500 peak 460 weight 0.20000E+01 volume 0.12221E-01 ppm1 8.184 ppm2 1.499 CV 1
ASSI { 622}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 92 and name HN ))
3.500 1.500 1.500 peak 622 weight 0.20000E+01 volume 0.51506E-03 ppm1 7.282 ppm2 8.194 CV 1
ASSI { 461}
(( segid " " and resid 92 and name HN ))
( segid " " and resid 92 and name HG# )
2.000 0.500 0.500 peak 461 weight 0.20000E+01 volume 0.13859E-01 ppm1 8.184 ppm2 1.221 CV 1
ASSI { 1614}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 93 and name HB# ))
3.600 1.600 1.600 peak 1614 weight 0.20000E+01 volume 0.45923E-03 ppm1 7.452 ppm2 1.379 CV 1
ASSI { 1612}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 93 and name HG# ))
4.400 2.400 1.600 peak 1612 weight 0.20000E+01 volume 0.14030E-03 ppm1 7.453 ppm2 2.375 CV 1
ASSI { 671}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 93 and name HN ))
3.700 1.700 1.700 peak 671 weight 0.20000E+01 volume 0.36732E-03 ppm1 7.449 ppm2 9.343 CV 1
ASSI { 1688}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 93 and name HN ))
5.000 3.100 1.000 peak 1688 weight 0.20000E+01 volume 0.60238E-04 ppm1 8.728 ppm2 9.362 CV 1
ASSI { 708}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 93 and name HN ))
3.200 1.300 1.300 peak 708 weight 0.20000E+01 volume 0.89769E-03 ppm1 9.108 ppm2 9.347 CV 1
ASSI { 1369}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HN ))
4.200 2.200 1.800 peak 1369 weight 0.20000E+01 volume 0.18054E-03 ppm1 8.183 ppm2 9.339 CV 1
ASSI { 910}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB# ))
2.700 0.900 0.900 peak 910 weight 0.20000E+01 volume 0.24015E-02 ppm1 9.339 ppm2 1.964 CV 1
ASSI { 1387}
(( segid " " and resid 94 and name HN ))
( segid " " and resid 31 and name HG# )
3.100 1.200 1.200 peak 1387 weight 0.20000E+01 volume 0.11651E-02 ppm1 9.464 ppm2 0.397 CV 1
ASSI { 1381}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 56 and name HA ))
4.200 2.200 1.800 peak 1381 weight 0.20000E+01 volume 0.18443E-03 ppm1 9.473 ppm2 4.535 CV 1
ASSI { 1199}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 94 and name HN ))
4.800 2.900 1.200 peak 1199 weight 0.20000E+01 volume 0.75644E-04 ppm1 8.255 ppm2 9.457 CV 1
ASSI { 672}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 94 and name HN ))
4.400 2.400 1.600 peak 672 weight 0.20000E+01 volume 0.12982E-03 ppm1 7.445 ppm2 9.486 CV 1
ASSI { 1731}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HG# ))
4.900 3.000 1.100 peak 1731 weight 0.20000E+01 volume 0.67855E-04 ppm1 9.471 ppm2 2.181 CV 1
ASSI { 1383}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HG# ))
3.900 1.900 1.900 peak 1383 weight 0.20000E+01 volume 0.28735E-03 ppm1 9.462 ppm2 2.376 CV 1
ASSI { 463}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HN ))
2.800 1.000 1.000 peak 463 weight 0.20000E+01 volume 0.19972E-02 ppm1 9.464 ppm2 9.345 CV 1
ASSI { 1374}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 95 and name HA ))
4.000 2.000 2.000 peak 1374 weight 0.20000E+01 volume 0.22407E-03 ppm1 8.187 ppm2 4.144 CV 1
ASSI { 459}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 95 and name HB# ))
2.600 0.900 0.900 peak 459 weight 0.20000E+01 volume 0.29141E-02 ppm1 8.184 ppm2 2.391 CV 1
ASSI { 1375}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 95 and name HG# ))
3.200 1.300 1.300 peak 1375 weight 0.20000E+01 volume 0.88774E-03 ppm1 8.187 ppm2 2.472 CV 1
ASSI { 629}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 92 and name HB ))
3.500 1.500 1.500 peak 629 weight 0.20000E+01 volume 0.52320E-03 ppm1 7.992 ppm2 4.882 CV 1
ASSI { 627}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 92 and name HN ))
3.100 1.200 1.200 peak 627 weight 0.20000E+01 volume 0.10130E-02 ppm1 7.990 ppm2 8.181 CV 1
ASSI { 630}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 93 and name HA ))
4.500 2.500 1.500 peak 630 weight 0.20000E+01 volume 0.12212E-03 ppm1 7.993 ppm2 4.348 CV 1
ASSI { 625}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 93 and name HN ))
4.400 2.400 1.600 peak 625 weight 0.20000E+01 volume 0.13632E-03 ppm1 7.993 ppm2 9.340 CV 1
ASSI { 71}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HN ))
2.600 0.800 0.800 peak 71 weight 0.20000E+01 volume 0.30671E-02 ppm1 7.991 ppm2 9.463 CV 1
ASSI { 1332}
(( segid " " and resid 95 and name HE22))
(( segid " " and resid 95 and name HB# ))
5.600 3.900 0.400 peak 1332 weight 0.20000E+01 volume 0.31850E-04 ppm1 7.714 ppm2 2.117 CV 1
ASSI { 438}
(( segid " " and resid 95 and name HE22))
(( segid " " and resid 95 and name HE21))
1.900 0.400 0.400 peak 438 weight 0.20000E+01 volume 0.21971E-01 ppm1 7.714 ppm2 6.872 CV 1
ASSI { 76}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HB# ))
2.200 0.600 0.600 peak 76 weight 0.20000E+01 volume 0.95132E-02 ppm1 7.991 ppm2 2.389 CV 1
ASSI { 1377}
(( segid " " and resid 92 and name HN ))
( segid " " and resid 96 and name HD# )
3.700 1.700 1.700 peak 1377 weight 0.20000E+01 volume 0.39025E-03 ppm1 8.188 ppm2 0.936 CV 1
ASSI { 1729}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 96 and name HG ))
4.700 2.800 1.300 peak 1729 weight 0.20000E+01 volume 0.83607E-04 ppm1 8.183 ppm2 1.813 CV 1
ASSI { 1506}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 92 and name HN ))
4.000 2.000 2.000 peak 1506 weight 0.20000E+01 volume 0.24589E-03 ppm1 8.404 ppm2 8.207 CV 1
ASSI { 843}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 93 and name HA ))
2.700 0.900 0.900 peak 843 weight 0.20000E+01 volume 0.24145E-02 ppm1 8.402 ppm2 4.349 CV 1
ASSI { 845}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 93 and name HN ))
6.000 5.200 0.000 peak 845 weight 0.20000E+01 volume 0.13069E-04 ppm1 8.398 ppm2 9.350 CV 1
ASSI { 846}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 94 and name HN ))
4.000 2.000 2.000 peak 846 weight 0.20000E+01 volume 0.22494E-03 ppm1 8.399 ppm2 9.457 CV 1
ASSI { 633}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 96 and name HG ))
3.600 1.600 1.600 peak 633 weight 0.20000E+01 volume 0.47663E-03 ppm1 7.993 ppm2 1.823 CV 1
ASSI { 842}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HA ))
3.200 1.300 1.300 peak 842 weight 0.20000E+01 volume 0.91032E-03 ppm1 8.402 ppm2 4.151 CV 1
ASSI { 171}
(( segid " " and resid 96 and name HN ))
( segid " " and resid 96 and name HD# )
2.700 0.900 0.900 peak 171 weight 0.20000E+01 volume 0.25394E-02 ppm1 8.401 ppm2 0.903 CV 1
ASSI { 1730}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 97 and name HB# ))
5.200 3.300 0.800 peak 1730 weight 0.20000E+01 volume 0.49680E-04 ppm1 9.469 ppm2 3.299 CV 1
ASSI { 1053}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 94 and name HA# ))
3.100 1.200 1.200 peak 1053 weight 0.20000E+01 volume 0.10032E-02 ppm1 9.016 ppm2 3.710 CV 1
ASSI { 1677}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 95 and name HA ))
4.100 2.100 1.900 peak 1677 weight 0.20000E+01 volume 0.20884E-03 ppm1 9.021 ppm2 4.137 CV 1
ASSI { 626}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 97 and name HN ))
3.700 1.700 1.700 peak 626 weight 0.20000E+01 volume 0.36272E-03 ppm1 7.992 ppm2 9.017 CV 1
ASSI { 179}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 97 and name HN ))
2.700 0.900 0.900 peak 179 weight 0.20000E+01 volume 0.25044E-02 ppm1 8.397 ppm2 9.016 CV 1
ASSI { 1538}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 94 and name HA# ))
6.000 4.700 0.000 peak 1538 weight 0.20000E+01 volume 0.18088E-04 ppm1 8.418 ppm2 3.704 CV 1
ASSI { 1534}
(( segid " " and resid 98 and name HE22))
(( segid " " and resid 95 and name HG# ))
4.200 2.200 1.800 peak 1534 weight 0.20000E+01 volume 0.17448E-03 ppm1 7.599 ppm2 2.457 CV 1
ASSI { 950}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 95 and name HA ))
2.600 0.800 0.800 peak 950 weight 0.20000E+01 volume 0.34153E-02 ppm1 8.414 ppm2 4.149 CV 1
ASSI { 955}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HN ))
2.700 0.900 0.900 peak 955 weight 0.20000E+01 volume 0.24381E-02 ppm1 8.410 ppm2 9.020 CV 1
ASSI { 1535}
(( segid " " and resid 98 and name HE22))
(( segid " " and resid 98 and name HG# ))
3.700 1.700 1.700 peak 1535 weight 0.20000E+01 volume 0.35209E-03 ppm1 7.596 ppm2 2.579 CV 1
ASSI { 1427}
(( segid " " and resid 98 and name HE21))
(( segid " " and resid 98 and name HG# ))
3.900 1.900 1.900 peak 1427 weight 0.20000E+01 volume 0.25308E-03 ppm1 6.889 ppm2 2.577 CV 1
ASSI { 1231}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 96 and name HA ))
3.200 1.300 1.300 peak 1231 weight 0.20000E+01 volume 0.82456E-03 ppm1 7.399 ppm2 4.248 CV 1
ASSI { 1232}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 97 and name HA ))
4.400 2.500 1.600 peak 1232 weight 0.20000E+01 volume 0.12377E-03 ppm1 7.389 ppm2 3.868 CV 1
ASSI { 1508}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 97 and name HB# ))
6.000 5.200 0.000 peak 1508 weight 0.20000E+01 volume 0.13415E-04 ppm1 7.399 ppm2 3.286 CV 1
ASSI { 1067}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 99 and name HN ))
3.900 1.900 1.900 peak 1067 weight 0.20000E+01 volume 0.26233E-03 ppm1 9.020 ppm2 7.391 CV 1
ASSI { 1316}
(( segid " " and resid 100 and name HN ))
( segid " " and resid 82 and name HG# )
4.600 2.600 1.400 peak 1316 weight 0.20000E+01 volume 0.10291E-03 ppm1 8.139 ppm2 0.637 CV 1
ASSI { 1540}
(( segid " " and resid 83 and name HD22))
(( segid " " and resid 100 and name HB# ))
4.300 2.300 1.700 peak 1540 weight 0.20000E+01 volume 0.15069E-03 ppm1 7.244 ppm2 2.792 CV 1
ASSI { 844}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 100 and name HD# ))
4.300 2.300 1.700 peak 844 weight 0.20000E+01 volume 0.14921E-03 ppm1 8.402 ppm2 6.947 CV 1
ASSI { 1325}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 97 and name HA ))
3.300 1.400 1.400 peak 1325 weight 0.20000E+01 volume 0.70737E-03 ppm1 8.135 ppm2 3.855 CV 1
ASSI { 1230}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 100 and name HD# ))
3.400 1.500 1.500 peak 1230 weight 0.20000E+01 volume 0.61000E-03 ppm1 7.397 ppm2 6.952 CV 1
ASSI { 1326}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HA ))
3.200 1.300 1.300 peak 1326 weight 0.20000E+01 volume 0.90696E-03 ppm1 8.132 ppm2 3.991 CV 1
ASSI { 1318}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HB# ))
2.800 1.000 1.000 peak 1318 weight 0.20000E+01 volume 0.18561E-02 ppm1 8.138 ppm2 1.488 CV 1
ASSI { 379}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 100 and name HN ))
2.100 0.500 0.500 peak 379 weight 0.20000E+01 volume 0.12225E-01 ppm1 7.395 ppm2 8.137 CV 1
ASSI { 423}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HA ))
2.300 0.700 0.700 peak 423 weight 0.20000E+01 volume 0.58389E-02 ppm1 8.137 ppm2 4.773 CV 1
ASSI { 424}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HB# ))
2.300 0.600 0.600 peak 424 weight 0.20000E+01 volume 0.71922E-02 ppm1 8.136 ppm2 2.793 CV 1
ASSI { 1324}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HB# ))
2.600 0.800 0.800 peak 1324 weight 0.20000E+01 volume 0.33169E-02 ppm1 8.136 ppm2 3.078 CV 1
ASSI { 1330}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HD# ))
3.000 1.200 1.200 peak 1330 weight 0.20000E+01 volume 0.12059E-02 ppm1 8.135 ppm2 6.945 CV 1
ASSI { 1725}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 101 and name HB# ))
4.600 2.600 1.400 peak 1725 weight 0.20000E+01 volume 0.10386E-03 ppm1 8.130 ppm2 2.283 CV 1
ASSI { 957}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HA ))
2.600 0.800 0.800 peak 957 weight 0.20000E+01 volume 0.31944E-02 ppm1 8.451 ppm2 4.773 CV 1
ASSI { 830}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HA ))
3.200 1.300 1.300 peak 830 weight 0.20000E+01 volume 0.92781E-03 ppm1 8.824 ppm2 4.664 CV 1
ASSI { 832}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HG# ))
4.000 2.000 2.000 peak 832 weight 0.20000E+01 volume 0.21958E-03 ppm1 8.824 ppm2 3.027 CV 1
ASSI { 1559}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HA ))
5.100 3.300 0.900 peak 1559 weight 0.20000E+01 volume 0.51583E-04 ppm1 7.836 ppm2 4.659 CV 1
ASSI { 1226}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HB# ))
3.100 1.200 1.200 peak 1226 weight 0.20000E+01 volume 0.98372E-03 ppm1 7.833 ppm2 2.695 CV 1
ASSI { 828}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 103 and name HN ))
4.800 2.900 1.200 peak 828 weight 0.20000E+01 volume 0.74779E-04 ppm1 8.809 ppm2 7.839 CV 1
ASSI { 1224}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HA ))
2.700 0.900 0.900 peak 1224 weight 0.20000E+01 volume 0.22780E-02 ppm1 7.836 ppm2 4.118 CV 1
ASSI { 1365}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 105 and name HB# ))
4.100 2.100 1.900 peak 1365 weight 0.20000E+01 volume 0.20348E-03 ppm1 9.505 ppm2 3.473 CV 1
ASSI { 1413}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 101 and name HD# ))
4.200 2.200 1.800 peak 1413 weight 0.20000E+01 volume 0.16938E-03 ppm1 7.870 ppm2 6.963 CV 1
ASSI { 1436}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 106 and name HZ ))
4.200 2.200 1.800 peak 1436 weight 0.20000E+01 volume 0.16531E-03 ppm1 9.518 ppm2 6.932 CV 1
ASSI { 1221}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 106 and name HN ))
4.500 2.600 1.500 peak 1221 weight 0.20000E+01 volume 0.10862E-03 ppm1 7.837 ppm2 8.707 CV 1
ASSI { 971}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HN ))
2.700 0.900 0.900 peak 971 weight 0.20000E+01 volume 0.24094E-02 ppm1 8.717 ppm2 7.867 CV 1
ASSI { 977}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HA ))
2.900 1.100 1.100 peak 977 weight 0.20000E+01 volume 0.15933E-02 ppm1 8.714 ppm2 4.771 CV 1
ASSI { 987}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HB# ))
2.500 0.800 0.800 peak 987 weight 0.20000E+01 volume 0.35101E-02 ppm1 8.701 ppm2 2.014 CV 1
ASSI { 975}
(( segid " " and resid 106 and name HN ))
( segid " " and resid 106 and name HD% )
2.600 0.800 0.800 peak 975 weight 0.20000E+01 volume 0.33224E-02 ppm1 8.713 ppm2 6.873 CV 1
ASSI { 804}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 33 and name HG# )
4.000 2.000 2.000 peak 804 weight 0.20000E+01 volume 0.23628E-03 ppm1 7.912 ppm2 0.563 CV 1
ASSI { 1565}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 107 and name HB# ))
4.500 2.500 1.500 peak 1565 weight 0.20000E+01 volume 0.12031E-03 ppm1 8.776 ppm2 1.365 CV 1
ASSI { 791}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 34 and name HN ))
5.000 3.200 1.000 peak 791 weight 0.20000E+01 volume 0.59286E-04 ppm1 7.915 ppm2 8.780 CV 1
ASSI { 1636}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 107 and name HG ))
5.600 4.000 0.400 peak 1636 weight 0.20000E+01 volume 0.29860E-04 ppm1 8.398 ppm2 0.756 CV 1
ASSI { 1317}
(( segid " " and resid 100 and name HN ))
( segid " " and resid 107 and name HD# )
2.700 0.900 0.900 peak 1317 weight 0.20000E+01 volume 0.23927E-02 ppm1 8.135 ppm2 0.875 CV 1
ASSI { 799}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HA ))
2.500 0.800 0.800 peak 799 weight 0.20000E+01 volume 0.39248E-02 ppm1 7.909 ppm2 4.775 CV 1
ASSI { 1519}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HG ))
5.500 3.800 0.500 peak 1519 weight 0.20000E+01 volume 0.34966E-04 ppm1 7.914 ppm2 0.762 CV 1
ASSI { 1494}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 108 and name HE% )
5.400 3.600 0.600 peak 1494 weight 0.20000E+01 volume 0.40591E-04 ppm1 9.866 ppm2 6.926 CV 1
ASSI { 526}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 101 and name HA ))
3.700 1.700 1.700 peak 526 weight 0.20000E+01 volume 0.40392E-03 ppm1 8.867 ppm2 4.255 CV 1
ASSI { 528}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 107 and name HB# ))
2.900 1.100 1.100 peak 528 weight 0.20000E+01 volume 0.15375E-02 ppm1 8.871 ppm2 1.380 CV 1
ASSI { 529}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 107 and name HG ))
4.300 2.300 1.700 peak 529 weight 0.20000E+01 volume 0.14765E-03 ppm1 8.857 ppm2 0.767 CV 1
ASSI { 792}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 108 and name HN ))
4.700 2.800 1.300 peak 792 weight 0.20000E+01 volume 0.83174E-04 ppm1 7.918 ppm2 8.861 CV 1
ASSI { 527}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HB# ))
2.700 0.900 0.900 peak 527 weight 0.20000E+01 volume 0.24221E-02 ppm1 8.861 ppm2 2.216 CV 1
ASSI { 525}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 108 and name HD% )
2.800 1.000 1.000 peak 525 weight 0.20000E+01 volume 0.18115E-02 ppm1 8.863 ppm2 6.321 CV 1
ASSI { 652}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 5 and name HE% )
6.000 4.600 0.000 peak 652 weight 0.20000E+01 volume 0.18695E-04 ppm1 9.368 ppm2 7.400 CV 1
ASSI { 502}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 109 and name HN ))
3.700 1.700 1.700 peak 502 weight 0.20000E+01 volume 0.36931E-03 ppm1 8.779 ppm2 9.375 CV 1
ASSI { 777}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 109 and name HN ))
3.700 1.700 1.700 peak 777 weight 0.20000E+01 volume 0.37459E-03 ppm1 8.690 ppm2 9.375 CV 1
ASSI { 1285}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 109 and name HA ))
3.800 1.800 1.800 peak 1285 weight 0.20000E+01 volume 0.31279E-03 ppm1 9.081 ppm2 4.829 CV 1
ASSI { 1521}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HB# ))
5.100 3.200 0.900 peak 1521 weight 0.20000E+01 volume 0.57036E-04 ppm1 9.374 ppm2 2.219 CV 1
ASSI { 524}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 109 and name HN ))
4.000 2.000 2.000 peak 524 weight 0.20000E+01 volume 0.23057E-03 ppm1 8.858 ppm2 9.367 CV 1
ASSI { 658}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HA ))
3.000 1.100 1.100 peak 658 weight 0.20000E+01 volume 0.13889E-02 ppm1 9.380 ppm2 4.827 CV 1
ASSI { 663}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HB ))
2.600 0.800 0.800 peak 663 weight 0.20000E+01 volume 0.31628E-02 ppm1 9.373 ppm2 1.545 CV 1
ASSI { 668}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 109 and name HD# )
3.700 1.700 1.700 peak 668 weight 0.20000E+01 volume 0.35165E-03 ppm1 9.376 ppm2 0.289 CV 1
ASSI { 664}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HG1#))
2.700 0.900 0.900 peak 664 weight 0.20000E+01 volume 0.24517E-02 ppm1 9.378 ppm2 1.307 CV 1
ASSI { 510}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 5 and name HZ ))
3.300 1.400 1.400 peak 510 weight 0.20000E+01 volume 0.68634E-03 ppm1 9.003 ppm2 7.243 CV 1
ASSI { 507}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 80 and name HA ))
3.900 1.900 1.900 peak 507 weight 0.20000E+01 volume 0.27393E-03 ppm1 9.015 ppm2 6.017 CV 1
ASSI { 1567}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 81 and name HB# ))
4.500 2.500 1.500 peak 1567 weight 0.20000E+01 volume 0.11909E-03 ppm1 9.009 ppm2 2.650 CV 1
ASSI { 505}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 81 and name HB# ))
3.200 1.300 1.300 peak 505 weight 0.20000E+01 volume 0.86307E-03 ppm1 9.000 ppm2 2.785 CV 1
ASSI { 506}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 82 and name HA ))
3.400 1.400 1.400 peak 506 weight 0.20000E+01 volume 0.66348E-03 ppm1 9.007 ppm2 4.553 CV 1
ASSI { 9}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HA ))
2.100 0.500 0.500 peak 9 weight 0.20000E+01 volume 0.12119E-01 ppm1 9.006 ppm2 4.829 CV 1
ASSI { 504}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HG1#))
3.100 1.200 1.200 peak 504 weight 0.20000E+01 volume 0.10044E-02 ppm1 9.009 ppm2 0.819 CV 1
ASSI { 650}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 110 and name HN ))
6.000 4.600 0.000 peak 650 weight 0.20000E+01 volume 0.19474E-04 ppm1 9.368 ppm2 8.999 CV 1
ASSI { 1179}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 36 and name HN ))
3.300 1.300 1.300 peak 1179 weight 0.20000E+01 volume 0.76423E-03 ppm1 8.513 ppm2 8.701 CV 1
ASSI { 681}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 111 and name HD% )
4.200 2.200 1.800 peak 681 weight 0.20000E+01 volume 0.16852E-03 ppm1 8.854 ppm2 6.801 CV 1
ASSI { 484}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 111 and name HD% )
4.400 2.400 1.600 peak 484 weight 0.20000E+01 volume 0.13943E-03 ppm1 8.901 ppm2 6.820 CV 1
ASSI { 1697}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 38 and name HA ))
4.600 2.600 1.400 peak 1697 weight 0.20000E+01 volume 0.10092E-03 ppm1 8.515 ppm2 4.403 CV 1
ASSI { 1180}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 38 and name HN ))
2.700 0.900 0.900 peak 1180 weight 0.20000E+01 volume 0.24228E-02 ppm1 8.514 ppm2 8.899 CV 1
ASSI { 640}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 111 and name HA ))
4.000 2.000 2.000 peak 640 weight 0.20000E+01 volume 0.24312E-03 ppm1 9.161 ppm2 6.710 CV 1
ASSI { 1601}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 111 and name HB# ))
5.600 4.000 0.400 peak 1601 weight 0.20000E+01 volume 0.29426E-04 ppm1 9.169 ppm2 3.260 CV 1
ASSI { 893}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 111 and name HA ))
3.700 1.700 1.700 peak 893 weight 0.20000E+01 volume 0.37052E-03 ppm1 7.870 ppm2 6.716 CV 1
ASSI { 1698}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 80 and name HA ))
4.400 2.400 1.600 peak 1698 weight 0.20000E+01 volume 0.13008E-03 ppm1 8.515 ppm2 6.008 CV 1
ASSI { 511}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 111 and name HN ))
4.900 3.000 1.100 peak 511 weight 0.20000E+01 volume 0.71663E-04 ppm1 9.012 ppm2 8.511 CV 1
ASSI { 1177}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HA ))
2.400 0.700 0.700 peak 1177 weight 0.20000E+01 volume 0.45064E-02 ppm1 8.514 ppm2 6.712 CV 1
ASSI { 1169}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HB# ))
3.500 1.600 1.600 peak 1169 weight 0.20000E+01 volume 0.48485E-03 ppm1 8.517 ppm2 3.267 CV 1
ASSI { 1168}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HB# ))
2.800 1.000 1.000 peak 1168 weight 0.20000E+01 volume 0.17924E-02 ppm1 8.513 ppm2 2.846 CV 1
ASSI { 1462}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 112 and name HA ))
4.700 2.700 1.300 peak 1462 weight 0.20000E+01 volume 0.90012E-04 ppm1 8.901 ppm2 4.653 CV 1
ASSI { 1735}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 112 and name HB# ))
3.900 1.900 1.900 peak 1735 weight 0.20000E+01 volume 0.26475E-03 ppm1 8.899 ppm2 3.900 CV 1
ASSI { 729}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 112 and name HA ))
4.600 2.600 1.400 peak 729 weight 0.20000E+01 volume 0.10654E-03 ppm1 7.463 ppm2 4.656 CV 1
ASSI { 1467}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 112 and name HG ))
4.400 2.400 1.600 peak 1467 weight 0.20000E+01 volume 0.13606E-03 ppm1 7.465 ppm2 6.514 CV 1
ASSI { 1468}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 112 and name HG ))
5.700 4.000 0.300 peak 1468 weight 0.20000E+01 volume 0.28821E-04 ppm1 9.165 ppm2 6.526 CV 1
ASSI { 1471}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 112 and name HG ))
4.400 2.500 1.600 peak 1471 weight 0.20000E+01 volume 0.12333E-03 ppm1 6.931 ppm2 6.520 CV 1
ASSI { 1271}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 78 and name HA ))
3.500 1.500 1.500 peak 1271 weight 0.20000E+01 volume 0.56456E-03 ppm1 9.282 ppm2 4.541 CV 1
ASSI { 1277}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 78 and name HD# )
4.400 2.400 1.600 peak 1277 weight 0.20000E+01 volume 0.13389E-03 ppm1 9.277 ppm2 0.459 CV 1
ASSI { 1603}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 112 and name HB# ))
5.700 4.000 0.300 peak 1603 weight 0.20000E+01 volume 0.28389E-04 ppm1 9.168 ppm2 4.267 CV 1
ASSI { 1522}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 79 and name HB# ))
4.000 2.000 2.000 peak 1522 weight 0.20000E+01 volume 0.23498E-03 ppm1 9.274 ppm2 2.514 CV 1
ASSI { 400}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 79 and name HN ))
2.500 0.800 0.800 peak 400 weight 0.20000E+01 volume 0.36776E-02 ppm1 9.282 ppm2 9.165 CV 1
ASSI { 1269}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 80 and name HA ))
3.400 1.500 1.500 peak 1269 weight 0.20000E+01 volume 0.58629E-03 ppm1 9.281 ppm2 6.013 CV 1
ASSI { 414}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HA ))
2.100 0.500 0.500 peak 414 weight 0.20000E+01 volume 0.11832E-01 ppm1 9.282 ppm2 6.712 CV 1
ASSI { 1274}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HB# ))
2.600 0.800 0.800 peak 1274 weight 0.20000E+01 volume 0.33238E-02 ppm1 9.281 ppm2 3.262 CV 1
ASSI { 1275}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HB# ))
2.700 0.900 0.900 peak 1275 weight 0.20000E+01 volume 0.24931E-02 ppm1 9.283 ppm2 2.844 CV 1
ASSI { 1181}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 112 and name HN ))
4.100 2.100 1.900 peak 1181 weight 0.20000E+01 volume 0.20252E-03 ppm1 8.509 ppm2 9.288 CV 1
ASSI { 1270}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HA ))
2.700 0.900 0.900 peak 1270 weight 0.20000E+01 volume 0.26133E-02 ppm1 9.282 ppm2 4.660 CV 1
ASSI { 1272}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HB# ))
3.100 1.200 1.200 peak 1272 weight 0.20000E+01 volume 0.10938E-02 ppm1 9.281 ppm2 4.260 CV 1
ASSI { 1268}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HG ))
3.800 1.800 1.800 peak 1268 weight 0.20000E+01 volume 0.30743E-03 ppm1 9.281 ppm2 6.526 CV 1
ASSI { 1589}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 113 and name HB# ))
5.200 3.400 0.800 peak 1589 weight 0.20000E+01 volume 0.46650E-04 ppm1 9.165 ppm2 3.076 CV 1
ASSI { 592}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 113 and name HN ))
3.700 1.700 1.700 peak 592 weight 0.20000E+01 volume 0.37329E-03 ppm1 9.157 ppm2 9.429 CV 1
ASSI { 641}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 113 and name HA ))
3.200 1.300 1.300 peak 641 weight 0.20000E+01 volume 0.94088E-03 ppm1 9.164 ppm2 4.828 CV 1
ASSI { 194}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HA ))
2.300 0.700 0.700 peak 194 weight 0.20000E+01 volume 0.64707E-02 ppm1 9.434 ppm2 4.656 CV 1
ASSI { 887}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HB# ))
3.700 1.700 1.700 peak 887 weight 0.20000E+01 volume 0.35130E-03 ppm1 9.434 ppm2 3.912 CV 1
ASSI { 883}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HG ))
3.800 1.800 1.800 peak 883 weight 0.20000E+01 volume 0.30033E-03 ppm1 9.431 ppm2 6.525 CV 1
ASSI { 884}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 113 and name HA ))
2.700 0.900 0.900 peak 884 weight 0.20000E+01 volume 0.26026E-02 ppm1 9.435 ppm2 4.805 CV 1
ASSI { 889}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 113 and name HB# ))
3.100 1.200 1.200 peak 889 weight 0.20000E+01 volume 0.11081E-02 ppm1 9.431 ppm2 2.697 CV 1
ASSI { 968}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 79 and name HN ))
4.100 2.100 1.900 peak 968 weight 0.20000E+01 volume 0.19188E-03 ppm1 8.513 ppm2 9.168 CV 1
ASSI { 978}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 112 and name HB# ))
2.900 1.100 1.100 peak 978 weight 0.20000E+01 volume 0.15161E-02 ppm1 8.510 ppm2 4.252 CV 1
ASSI { 979}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 112 and name HB# ))
2.900 1.100 1.100 peak 979 weight 0.20000E+01 volume 0.14666E-02 ppm1 8.506 ppm2 3.910 CV 1
ASSI { 974}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 112 and name HG ))
2.800 1.000 1.000 peak 974 weight 0.20000E+01 volume 0.18505E-02 ppm1 8.510 ppm2 6.524 CV 1
ASSI { 969}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 112 and name HN ))
6.000 5.000 0.000 peak 969 weight 0.20000E+01 volume 0.15319E-04 ppm1 8.513 ppm2 9.281 CV 1
ASSI { 981}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HB# ))
3.900 1.900 1.900 peak 981 weight 0.20000E+01 volume 0.28025E-03 ppm1 8.514 ppm2 3.075 CV 1
ASSI { 227}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HN ))
2.300 0.600 0.600 peak 227 weight 0.20000E+01 volume 0.68681E-02 ppm1 8.511 ppm2 9.435 CV 1
ASSI { 986}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 114 and name HB# ))
2.900 1.100 1.100 peak 986 weight 0.20000E+01 volume 0.15621E-02 ppm1 8.511 ppm2 2.078 CV 1
ASSI { 407}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HA ))
2.000 0.500 0.500 peak 407 weight 0.20000E+01 volume 0.17057E-01 ppm1 7.978 ppm2 4.644 CV 1
ASSI { 1296}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HB# ))
2.800 1.000 1.000 peak 1296 weight 0.20000E+01 volume 0.17923E-02 ppm1 7.977 ppm2 2.074 CV 1
ASSI { 1295}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HB# ))
3.000 1.100 1.100 peak 1295 weight 0.20000E+01 volume 0.13372E-02 ppm1 7.979 ppm2 1.865 CV 1
ASSI { 1297}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HG# ))
3.400 1.500 1.500 peak 1297 weight 0.20000E+01 volume 0.58525E-03 ppm1 7.981 ppm2 2.205 CV 1
ASSI { 1525}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HG# ))
3.800 1.800 1.800 peak 1525 weight 0.20000E+01 volume 0.30786E-03 ppm1 7.974 ppm2 2.306 CV 1
ASSI { 970}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 115 and name HN ))
3.900 1.900 1.900 peak 970 weight 0.20000E+01 volume 0.27878E-03 ppm1 8.508 ppm2 7.975 CV 1
ASSI { 1300}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 115 and name HA ))
2.700 0.900 0.900 peak 1300 weight 0.20000E+01 volume 0.23666E-02 ppm1 7.979 ppm2 3.392 CV 1
ASSI { 1298}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 115 and name HB# ))
2.700 0.900 0.900 peak 1298 weight 0.20000E+01 volume 0.25057E-02 ppm1 7.978 ppm2 2.469 CV 1
ASSI { 1301}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 115 and name HB# ))
3.100 1.200 1.200 peak 1301 weight 0.20000E+01 volume 0.10291E-02 ppm1 7.978 ppm2 3.480 CV 1
ASSI { 1019}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 114 and name HA ))
3.400 1.400 1.400 peak 1019 weight 0.20000E+01 volume 0.63718E-03 ppm1 6.980 ppm2 4.638 CV 1
ASSI { 251}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 114 and name HB# ))
2.100 0.600 0.600 peak 251 weight 0.20000E+01 volume 0.10014E-01 ppm1 6.979 ppm2 2.071 CV 1
ASSI { 1023}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 114 and name HG# ))
3.500 1.500 1.500 peak 1023 weight 0.20000E+01 volume 0.56551E-03 ppm1 6.981 ppm2 2.201 CV 1
ASSI { 1022}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 114 and name HG# ))
3.400 1.400 1.400 peak 1022 weight 0.20000E+01 volume 0.62203E-03 ppm1 6.978 ppm2 2.308 CV 1
ASSI { 1663}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 114 and name HN ))
4.600 2.600 1.400 peak 1663 weight 0.20000E+01 volume 0.10213E-03 ppm1 6.982 ppm2 8.515 CV 1
ASSI { 250}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HA ))
2.700 0.900 0.900 peak 250 weight 0.20000E+01 volume 0.25194E-02 ppm1 6.978 ppm2 3.393 CV 1
ASSI { 1021}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HB# ))
3.400 1.500 1.500 peak 1021 weight 0.20000E+01 volume 0.58663E-03 ppm1 6.977 ppm2 2.475 CV 1
ASSI { 1431}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HB# ))
3.700 1.700 1.700 peak 1431 weight 0.20000E+01 volume 0.37069E-03 ppm1 6.982 ppm2 3.488 CV 1
ASSI { 245}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HN ))
2.200 0.600 0.600 peak 245 weight 0.20000E+01 volume 0.84291E-02 ppm1 6.978 ppm2 7.977 CV 1
ASSI { 252}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HB ))
2.500 0.800 0.800 peak 252 weight 0.20000E+01 volume 0.17806E-01 ppm1 6.981 ppm2 1.812 CV 1
ASSI { 253}
(( segid " " and resid 116 and name HN ))
( segid " " and resid 116 and name HG# )
2.100 0.500 0.500 peak 253 weight 0.20000E+01 volume 0.12472E-01 ppm1 6.979 ppm2 0.746 CV 1
ASSI { 28}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 116 and name HA ))
2.100 0.500 0.500 peak 28 weight 0.20000E+01 volume 0.11321E-01 ppm1 8.231 ppm2 4.131 CV 1
ASSI { 535}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 116 and name HB ))
2.700 0.900 0.900 peak 535 weight 0.20000E+01 volume 0.24892E-02 ppm1 8.229 ppm2 1.812 CV 1
ASSI { 538}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 116 and name HN ))
3.200 1.200 1.200 peak 538 weight 0.20000E+01 volume 0.96220E-03 ppm1 8.230 ppm2 6.977 CV 1
ASSI { 536}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 117 and name HA ))
2.600 0.900 0.900 peak 536 weight 0.20000E+01 volume 0.29371E-02 ppm1 8.232 ppm2 3.716 CV 1
ASSI { 30}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 117 and name HB# ))
2.300 0.600 0.600 peak 30 weight 0.20000E+01 volume 0.71446E-02 ppm1 8.230 ppm2 2.537 CV 1
ASSI { 537}
(( segid " " and resid 117 and name HN ))
( segid " " and resid 117 and name HD% )
3.100 1.200 1.200 peak 537 weight 0.20000E+01 volume 0.10062E-02 ppm1 8.230 ppm2 6.604 CV 1
ASSI { 1293}
(( segid " " and resid 118 and name HN ))
( segid " " and resid 38 and name HB% )
3.900 1.900 1.900 peak 1293 weight 0.20000E+01 volume 0.27384E-03 ppm1 7.547 ppm2 1.200 CV 1
ASSI { 1292}
(( segid " " and resid 118 and name HN ))
( segid " " and resid 116 and name HG# )
3.500 1.500 1.500 peak 1292 weight 0.20000E+01 volume 0.54864E-03 ppm1 7.545 ppm2 0.746 CV 1
ASSI { 1305}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HN ))
3.700 1.700 1.700 peak 1305 weight 0.20000E+01 volume 0.35909E-03 ppm1 7.544 ppm2 8.234 CV 1
ASSI { 413}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HA# ))
2.600 0.800 0.800 peak 413 weight 0.20000E+01 volume 0.33603E-02 ppm1 7.549 ppm2 3.573 CV 1
ASSI { 412}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HA# ))
2.100 0.500 0.500 peak 412 weight 0.20000E+01 volume 0.11400E-01 ppm1 7.547 ppm2 3.704 CV 1
ASSI { 1527}
(( segid " " and resid 119 and name HN ))
( segid " " and resid 38 and name HB% )
4.800 2.900 1.200 peak 1527 weight 0.20000E+01 volume 0.77202E-04 ppm1 7.395 ppm2 1.193 CV 1
ASSI { 533}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 40 and name HG# ))
3.700 1.700 1.700 peak 533 weight 0.20000E+01 volume 0.35199E-03 ppm1 7.394 ppm2 1.326 CV 1
ASSI { 34}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 118 and name HA# ))
2.100 0.600 0.600 peak 34 weight 0.20000E+01 volume 0.11184E-01 ppm1 7.395 ppm2 3.690 CV 1
ASSI { 33}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 119 and name HA ))
2.400 0.700 0.700 peak 33 weight 0.20000E+01 volume 0.56501E-02 ppm1 7.396 ppm2 4.071 CV 1
ASSI { 36}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 119 and name HB# ))
2.200 0.600 0.600 peak 36 weight 0.20000E+01 volume 0.75631E-02 ppm1 7.396 ppm2 1.430 CV 1
ASSI { 4}
( segid " " and resid 27 and name HD% )
( segid " " and resid 27 and name HE% )
1.600 0.300 0.600 peak 4 weight 0.10000E+01 volume 0.51591E-01 ppm1 7.165 ppm2 6.727 CV 1
ASSI { 7}
( segid " " and resid 51 and name HD% )
( segid " " and resid 51 and name HE% )
1.900 0.400 0.400 peak 7 weight 0.10000E+01 volume 0.21115E-01 ppm1 7.067 ppm2 6.624 CV 1
ASSI { 14}
( segid " " and resid 63 and name HD% )
( segid " " and resid 63 and name HE% )
1.600 0.300 0.600 peak 14 weight 0.10000E+01 volume 0.65026E-01 ppm1 6.312 ppm2 6.124 CV 1
ASSI { 18}
( segid " " and resid 105 and name HE% )
( segid " " and resid 105 and name HD% )
1.500 0.300 0.700 peak 18 weight 0.10000E+01 volume 0.78158E-01 ppm1 7.317 ppm2 7.095 CV 1
ASSI { 22}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 106 and name HZ ))
1.600 0.300 0.600 peak 22 weight 0.10000E+01 volume 0.53345E-01 ppm1 7.213 ppm2 6.932 CV 1
ASSI { 44}
(( segid " " and resid 100 and name HE# ))
( segid " " and resid 85 and name HG# )
3.000 1.200 1.200 peak 44 weight 0.10000E+01 volume 0.12527E-02 ppm1 7.775 ppm2 0.975 CV 1
ASSI { 45}
(( segid " " and resid 100 and name HE# ))
(( segid " " and resid 99 and name HB# ))
3.900 1.900 1.900 peak 45 weight 0.10000E+01 volume 0.29064E-03 ppm1 7.775 ppm2 1.508 CV 1
ASSI { 48}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 26 and name HN ))
3.500 1.500 1.500 peak 48 weight 0.10000E+01 volume 0.57307E-03 ppm1 7.163 ppm2 7.712 CV 1
ASSI { 50}
( segid " " and resid 27 and name HD% )
( segid " " and resid 52 and name HD# )
2.300 0.700 0.700 peak 50 weight 0.10000E+01 volume 0.69118E-02 ppm1 7.162 ppm2 0.460 CV 1
ASSI { 51}
( segid " " and resid 27 and name HD% )
( segid " " and resid 23 and name HG# )
2.200 0.600 0.600 peak 51 weight 0.10000E+01 volume 0.89652E-02 ppm1 7.162 ppm2 0.867 CV 1
ASSI { 52}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 26 and name HB# ))
2.200 0.600 0.600 peak 52 weight 0.10000E+01 volume 0.75950E-02 ppm1 7.164 ppm2 1.231 CV 1
ASSI { 54}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 23 and name HG1#))
2.900 1.000 1.000 peak 54 weight 0.10000E+01 volume 0.17450E-02 ppm1 7.161 ppm2 1.816 CV 1
OR { 54}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 23 and name HB ))
ASSI { 57}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HB# ))
2.100 0.500 0.500 peak 57 weight 0.10000E+01 volume 0.11678E-01 ppm1 7.161 ppm2 2.903 CV 1
ASSI { 60}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 23 and name HA ))
2.300 0.700 0.700 peak 60 weight 0.10000E+01 volume 0.60885E-02 ppm1 7.168 ppm2 3.761 CV 1
ASSI { 61}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 50 and name HA ))
2.700 0.900 0.900 peak 61 weight 0.10000E+01 volume 0.24901E-02 ppm1 7.069 ppm2 5.109 CV 1
ASSI { 62}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 51 and name HA ))
2.300 0.700 0.700 peak 62 weight 0.10000E+01 volume 0.64758E-02 ppm1 7.072 ppm2 4.461 CV 1
ASSI { 64}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 51 and name HB# ))
2.000 0.500 0.500 peak 64 weight 0.10000E+01 volume 0.13861E-01 ppm1 7.068 ppm2 2.842 CV 1
ASSI { 65}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 51 and name HB# ))
2.000 0.500 0.500 peak 65 weight 0.10000E+01 volume 0.15730E-01 ppm1 7.069 ppm2 2.650 CV 1
ASSI { 69}
( segid " " and resid 51 and name HD% )
( segid " " and resid 65 and name HD# )
2.700 0.900 0.900 peak 69 weight 0.10000E+01 volume 0.27650E-02 ppm1 7.071 ppm2 0.996 CV 1
ASSI { 70}
( segid " " and resid 51 and name HD% )
( segid " " and resid 35 and name HG# )
2.000 0.500 0.500 peak 70 weight 0.10000E+01 volume 0.15178E-01 ppm1 7.071 ppm2 0.846 CV 1
ASSI { 72}
( segid " " and resid 7 and name HD% )
( segid " " and resid 7 and name HE% )
2.000 0.500 0.500 peak 72 weight 0.10000E+01 volume 0.14118E-01 ppm1 7.056 ppm2 6.182 CV 1
ASSI { 75}
( segid " " and resid 7 and name HD% )
(( segid " " and resid 7 and name HB# ))
2.700 0.900 0.900 peak 75 weight 0.10000E+01 volume 0.23656E-02 ppm1 7.053 ppm2 3.527 CV 1
ASSI { 84}
( segid " " and resid 7 and name HE% )
(( segid " " and resid 11 and name HN ))
2.500 0.800 0.800 peak 84 weight 0.10000E+01 volume 0.38659E-02 ppm1 6.183 ppm2 7.162 CV 1
OR { 84}
( segid " " and resid 7 and name HE% )
(( segid " " and resid 7 and name HD% ))
ASSI { 85}
( segid " " and resid 7 and name HE% )
(( segid " " and resid 7 and name HB# ))
3.400 1.400 1.400 peak 85 weight 0.10000E+01 volume 0.63809E-03 ppm1 6.169 ppm2 3.524 CV 1
ASSI { 86}
( segid " " and resid 7 and name HE% )
(( segid " " and resid 50 and name HE# ))
3.200 1.300 1.300 peak 86 weight 0.10000E+01 volume 0.86143E-03 ppm1 6.178 ppm2 2.783 CV 1
ASSI { 87}
( segid " " and resid 7 and name HE% )
(( segid " " and resid 10 and name HB# ))
3.800 1.800 1.800 peak 87 weight 0.10000E+01 volume 0.34653E-03 ppm1 6.178 ppm2 1.457 CV 1
ASSI { 90}
( segid " " and resid 97 and name HD% )
( segid " " and resid 31 and name HG# )
2.300 0.600 0.600 peak 90 weight 0.10000E+01 volume 0.72900E-02 ppm1 6.958 ppm2 0.394 CV 1
ASSI { 91}
( segid " " and resid 97 and name HD% )
( segid " " and resid 33 and name HG# )
3.000 1.100 1.100 peak 91 weight 0.10000E+01 volume 0.12577E-02 ppm1 6.957 ppm2 0.579 CV 1
ASSI { 93}
( segid " " and resid 97 and name HD% )
( segid " " and resid 107 and name HD# )
2.800 1.000 1.000 peak 93 weight 0.10000E+01 volume 0.20429E-02 ppm1 6.960 ppm2 0.869 CV 1
ASSI { 95}
( segid " " and resid 97 and name HD% )
(( segid " " and resid 107 and name HB# ))
2.300 0.700 0.700 peak 95 weight 0.10000E+01 volume 0.64535E-02 ppm1 6.952 ppm2 2.058 CV 1
ASSI { 96}
( segid " " and resid 97 and name HD% )
(( segid " " and resid 97 and name HB# ))
2.300 0.700 0.700 peak 96 weight 0.10000E+01 volume 0.62565E-02 ppm1 6.958 ppm2 3.048 CV 1
ASSI { 97}
( segid " " and resid 97 and name HD% )
(( segid " " and resid 97 and name HB# ))
2.100 0.600 0.600 peak 97 weight 0.10000E+01 volume 0.10215E-01 ppm1 6.956 ppm2 3.306 CV 1
ASSI { 101}
( segid " " and resid 97 and name HD% )
(( segid " " and resid 31 and name HA ))
3.200 1.300 1.300 peak 101 weight 0.10000E+01 volume 0.96229E-03 ppm1 6.955 ppm2 4.128 CV 1
ASSI { 102}
( segid " " and resid 111 and name HD% )
( segid " " and resid 111 and name HE% )
1.800 0.400 0.400 peak 102 weight 0.10000E+01 volume 0.26404E-01 ppm1 6.831 ppm2 6.653 CV 1
ASSI { 103}
( segid " " and resid 111 and name HD% )
(( segid " " and resid 112 and name HA ))
3.400 1.500 1.500 peak 103 weight 0.10000E+01 volume 0.59201E-03 ppm1 6.832 ppm2 4.665 CV 1
ASSI { 105}
( segid " " and resid 111 and name HD% )
(( segid " " and resid 111 and name HB# ))
2.400 0.700 0.700 peak 105 weight 0.10000E+01 volume 0.54800E-02 ppm1 6.831 ppm2 3.268 CV 1
ASSI { 107}
( segid " " and resid 111 and name HD% )
(( segid " " and resid 111 and name HB# ))
2.200 0.600 0.600 peak 107 weight 0.10000E+01 volume 0.98697E-02 ppm1 6.833 ppm2 2.853 CV 1
ASSI { 108}
( segid " " and resid 111 and name HD% )
(( segid " " and resid 43 and name HG1#))
3.200 1.300 1.300 peak 108 weight 0.10000E+01 volume 0.96277E-03 ppm1 6.831 ppm2 1.450 CV 1
ASSI { 109}
( segid " " and resid 111 and name HD% )
( segid " " and resid 41 and name HB% )
3.300 1.300 1.300 peak 109 weight 0.10000E+01 volume 0.78980E-03 ppm1 6.824 ppm2 1.612 CV 1
ASSI { 111}
( segid " " and resid 111 and name HD% )
( segid " " and resid 43 and name HD# )
2.000 0.500 0.500 peak 111 weight 0.10000E+01 volume 0.15609E-01 ppm1 6.830 ppm2 1.137 CV 1
ASSI { 119}
( segid " " and resid 111 and name HE% )
(( segid " " and resid 37 and name HB# ))
2.700 0.900 0.900 peak 119 weight 0.10000E+01 volume 0.23959E-02 ppm1 6.650 ppm2 1.563 CV 1
ASSI { 120}
( segid " " and resid 111 and name HE% )
(( segid " " and resid 37 and name HG# ))
2.800 1.000 1.000 peak 120 weight 0.10000E+01 volume 0.19294E-02 ppm1 6.652 ppm2 1.658 CV 1
ASSI { 121}
( segid " " and resid 111 and name HE% )
(( segid " " and resid 46 and name HB# ))
2.500 0.800 0.800 peak 121 weight 0.10000E+01 volume 0.39926E-02 ppm1 6.651 ppm2 1.815 CV 1
ASSI { 124}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 3 and name HA ))
2.800 1.000 1.000 peak 124 weight 0.10000E+01 volume 0.19602E-02 ppm1 6.596 ppm2 4.197 CV 1
ASSI { 125}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 117 and name HA ))
2.400 0.700 0.700 peak 125 weight 0.10000E+01 volume 0.47183E-02 ppm1 6.596 ppm2 3.660 CV 1
ASSI { 128}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 3 and name HG# ))
3.000 1.100 1.100 peak 128 weight 0.10000E+01 volume 0.13111E-02 ppm1 6.592 ppm2 1.747 CV 1
ASSI { 129}
( segid " " and resid 117 and name HD% )
( segid " " and resid 110 and name HB% )
2.300 0.700 0.700 peak 129 weight 0.10000E+01 volume 0.62782E-02 ppm1 6.597 ppm2 1.573 CV 1
ASSI { 130}
( segid " " and resid 117 and name HD% )
( segid " " and resid 38 and name HB% )
2.600 0.800 0.800 peak 130 weight 0.10000E+01 volume 0.32105E-02 ppm1 6.594 ppm2 1.199 CV 1
ASSI { 131}
( segid " " and resid 117 and name HD% )
( segid " " and resid 119 and name HD# )
3.000 1.100 1.100 peak 131 weight 0.10000E+01 volume 0.12568E-02 ppm1 6.592 ppm2 0.781 CV 1
ASSI { 132}
( segid " " and resid 117 and name HD% )
( segid " " and resid 81 and name HE% )
3.400 1.500 1.500 peak 132 weight 0.10000E+01 volume 0.58174E-03 ppm1 6.592 ppm2 7.222 CV 1
ASSI { 133}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 2 and name HB# ))
3.300 1.400 1.400 peak 133 weight 0.10000E+01 volume 0.70926E-03 ppm1 6.595 ppm2 3.814 CV 1
ASSI { 134}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 118 and name HA# ))
4.100 2.100 1.900 peak 134 weight 0.10000E+01 volume 0.21467E-03 ppm1 6.595 ppm2 3.556 CV 1
ASSI { 136}
( segid " " and resid 63 and name HD% )
( segid " " and resid 80 and name HE% )
2.800 1.000 1.000 peak 136 weight 0.10000E+01 volume 0.18459E-02 ppm1 6.309 ppm2 6.649 CV 1
ASSI { 140}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 60 and name HA# ))
2.300 0.700 0.700 peak 140 weight 0.10000E+01 volume 0.67370E-02 ppm1 6.316 ppm2 4.088 CV 1
ASSI { 141}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 63 and name HA ))
2.000 0.500 0.500 peak 141 weight 0.10000E+01 volume 0.17493E-01 ppm1 6.316 ppm2 3.933 CV 1
ASSI { 142}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 63 and name HB# ))
2.100 0.600 0.600 peak 142 weight 0.10000E+01 volume 0.10683E-01 ppm1 6.316 ppm2 3.105 CV 1
ASSI { 143}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 63 and name HB# ))
2.100 0.500 0.500 peak 143 weight 0.10000E+01 volume 0.11721E-01 ppm1 6.312 ppm2 2.735 CV 1
ASSI { 147}
( segid " " and resid 63 and name HD% )
( segid " " and resid 89 and name HG# )
2.200 0.600 0.600 peak 147 weight 0.10000E+01 volume 0.80154E-02 ppm1 6.308 ppm2 1.360 CV 1
ASSI { 148}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 78 and name HG ))
2.200 0.600 0.600 peak 148 weight 0.10000E+01 volume 0.93085E-02 ppm1 6.306 ppm2 1.097 CV 1
ASSI { 149}
( segid " " and resid 63 and name HD% )
( segid " " and resid 59 and name HG# )
2.300 0.600 0.600 peak 149 weight 0.10000E+01 volume 0.73311E-02 ppm1 6.316 ppm2 0.849 CV 1
ASSI { 150}
( segid " " and resid 63 and name HD% )
( segid " " and resid 78 and name HD# )
2.200 0.600 0.600 peak 150 weight 0.10000E+01 volume 0.95827E-02 ppm1 6.312 ppm2 0.452 CV 1
ASSI { 151}
( segid " " and resid 79 and name HD% )
(( segid " " and resid 113 and name HA ))
2.800 1.000 1.000 peak 151 weight 0.10000E+01 volume 0.19517E-02 ppm1 6.911 ppm2 4.822 CV 1
ASSI { 152}
( segid " " and resid 79 and name HD% )
(( segid " " and resid 79 and name HA ))
2.300 0.600 0.600 peak 152 weight 0.10000E+01 volume 0.74394E-02 ppm1 6.911 ppm2 4.687 CV 1
OR { 152}
( segid " " and resid 79 and name HD% )
(( segid " " and resid 114 and name HA ))
ASSI { 153}
( segid " " and resid 79 and name HD% )
(( segid " " and resid 79 and name HB# ))
2.000 0.500 0.500 peak 153 weight 0.10000E+01 volume 0.15925E-01 ppm1 6.913 ppm2 2.621 CV 1
ASSI { 154}
( segid " " and resid 79 and name HD% )
(( segid " " and resid 79 and name HB# ))
2.000 0.500 0.500 peak 154 weight 0.10000E+01 volume 0.13213E-01 ppm1 6.911 ppm2 2.516 CV 1
ASSI { 155}
( segid " " and resid 79 and name HD% )
(( segid " " and resid 86 and name HG1#))
3.500 1.500 1.500 peak 155 weight 0.10000E+01 volume 0.56805E-03 ppm1 6.911 ppm2 1.554 CV 1
ASSI { 160} {recal BP cd 3623}
( segid " " and resid 106 and name HD% )
(( segid " " and resid 24 and name HD# ))
3.500 1.600 1.600 peak 160 weight 0.10000E+01 volume 0.17801E-02 ppm1 6.845 ppm2 3.227 CV 1
ASSI { 163}
( segid " " and resid 106 and name HD% )
(( segid " " and resid 32 and name HB# ))
3.100 1.200 1.200 peak 163 weight 0.10000E+01 volume 0.11756E-02 ppm1 6.848 ppm2 1.843 CV 1
ASSI { 165}
( segid " " and resid 64 and name HD% )
(( segid " " and resid 64 and name HA ))
2.400 0.700 0.700 peak 165 weight 0.10000E+01 volume 0.47547E-02 ppm1 7.346 ppm2 4.024 CV 1
ASSI { 166}
( segid " " and resid 64 and name HD% )
(( segid " " and resid 64 and name HB# ))
2.600 0.800 0.800 peak 166 weight 0.10000E+01 volume 0.34533E-02 ppm1 7.345 ppm2 3.284 CV 1
ASSI { 167}
( segid " " and resid 64 and name HD% )
(( segid " " and resid 64 and name HB# ))
2.600 0.800 0.800 peak 167 weight 0.10000E+01 volume 0.32065E-02 ppm1 7.346 ppm2 3.178 CV 1
ASSI { 168}
( segid " " and resid 64 and name HD% )
(( segid " " and resid 68 and name HE# ))
2.800 1.000 1.000 peak 168 weight 0.10000E+01 volume 0.18930E-02 ppm1 7.346 ppm2 2.804 CV 1
ASSI { 172}
( segid " " and resid 64 and name HD% )
(( segid " " and resid 68 and name HG# ))
3.600 1.600 1.600 peak 172 weight 0.10000E+01 volume 0.43893E-03 ppm1 7.344 ppm2 1.390 CV 1
ASSI { 173}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 17 and name HA ))
3.700 1.700 1.700 peak 173 weight 0.10000E+01 volume 0.37939E-03 ppm1 7.083 ppm2 4.451 CV 1
ASSI { 175}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 105 and name HA ))
2.600 0.800 0.800 peak 175 weight 0.10000E+01 volume 0.31496E-02 ppm1 7.087 ppm2 3.593 CV 1
ASSI { 176}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 105 and name HB# ))
2.600 0.800 0.800 peak 176 weight 0.10000E+01 volume 0.31670E-02 ppm1 7.088 ppm2 3.470 CV 1
ASSI { 177}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 17 and name HD# ))
3.000 1.100 1.100 peak 177 weight 0.10000E+01 volume 0.14728E-02 ppm1 7.083 ppm2 3.135 CV 1
ASSI { 179}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 21 and name HG# ))
3.200 1.200 1.200 peak 179 weight 0.10000E+01 volume 0.98324E-03 ppm1 7.088 ppm2 2.030 CV 1
ASSI { 180}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 21 and name HB# ))
2.500 0.800 0.800 peak 180 weight 0.10000E+01 volume 0.42061E-02 ppm1 7.087 ppm2 1.903 CV 1
ASSI { 181}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 24 and name HG# ))
3.000 1.100 1.100 peak 181 weight 0.10000E+01 volume 0.14306E-02 ppm1 7.087 ppm2 1.623 CV 1
ASSI { 182}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 17 and name HG# ))
2.800 1.000 1.000 peak 182 weight 0.10000E+01 volume 0.20931E-02 ppm1 7.089 ppm2 1.739 CV 1
ASSI { 183}
( segid " " and resid 105 and name HD% )
(( segid " " and resid 17 and name HD# ))
3.400 1.500 1.500 peak 183 weight 0.10000E+01 volume 0.58608E-03 ppm1 7.085 ppm2 3.371 CV 1
ASSI { 185}
( segid " " and resid 105 and name HE% )
(( segid " " and resid 105 and name HB# ))
3.100 1.200 1.200 peak 185 weight 0.10000E+01 volume 0.10154E-02 ppm1 7.316 ppm2 3.483 CV 1
ASSI { 186}
( segid " " and resid 105 and name HE% )
(( segid " " and resid 105 and name HB# ))
3.400 1.400 1.400 peak 186 weight 0.10000E+01 volume 0.66683E-03 ppm1 7.318 ppm2 2.934 CV 1
ASSI { 187}
( segid " " and resid 81 and name HE% )
( segid " " and resid 86 and name HD# )
2.600 0.900 0.900 peak 187 weight 0.10000E+01 volume 0.29892E-02 ppm1 7.199 ppm2 0.800 CV 1
OR { 187}
( segid " " and resid 81 and name HE% )
(( segid " " and resid 86 and name HG1#))
ASSI { 191}
( segid " " and resid 81 and name HE% )
(( segid " " and resid 81 and name HB# ))
3.300 1.300 1.300 peak 191 weight 0.10000E+01 volume 0.80212E-03 ppm1 7.194 ppm2 2.775 CV 1
ASSI { 193}
( segid " " and resid 81 and name HE% )
( segid " " and resid 81 and name HD% )
1.700 0.400 0.500 peak 193 weight 0.10000E+01 volume 0.39952E-01 ppm1 7.199 ppm2 6.909 CV 1
ASSI { 194}
( segid " " and resid 81 and name HE% )
(( segid " " and resid 81 and name HB# ))
3.000 1.100 1.100 peak 194 weight 0.10000E+01 volume 0.14087E-02 ppm1 7.192 ppm2 2.653 CV 1
ASSI { 195}
( segid " " and resid 81 and name HD% )
( segid " " and resid 117 and name HD% )
2.500 0.800 0.800 peak 195 weight 0.10000E+01 volume 0.36255E-02 ppm1 6.912 ppm2 6.586 CV 1
ASSI { 196}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 81 and name HA ))
2.600 0.800 0.800 peak 196 weight 0.10000E+01 volume 0.33454E-02 ppm1 6.908 ppm2 5.082 CV 1
ASSI { 197}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 112 and name HB# ))
3.100 1.200 1.200 peak 197 weight 0.10000E+01 volume 0.11190E-02 ppm1 6.908 ppm2 4.284 CV 1
ASSI { 198}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 116 and name HA ))
3.200 1.200 1.200 peak 198 weight 0.10000E+01 volume 0.98353E-03 ppm1 6.909 ppm2 4.152 CV 1
ASSI { 200}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 81 and name HB# ))
2.300 0.600 0.600 peak 200 weight 0.10000E+01 volume 0.75225E-02 ppm1 6.908 ppm2 2.784 CV 1
ASSI { 201}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 81 and name HB# ))
2.200 0.600 0.600 peak 201 weight 0.10000E+01 volume 0.86074E-02 ppm1 6.910 ppm2 2.639 CV 1
ASSI { 203}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 86 and name HG1#))
2.500 0.800 0.800 peak 203 weight 0.10000E+01 volume 0.44926E-02 ppm1 6.903 ppm2 0.800 CV 1
OR { 203}
( segid " " and resid 81 and name HD% )
( segid " " and resid 86 and name HD# )
ASSI { 204}
( segid " " and resid 62 and name HD% )
( segid " " and resid 62 and name HE% )
2.100 0.600 0.600 peak 204 weight 0.10000E+01 volume 0.10167E-01 ppm1 6.895 ppm2 6.518 CV 1
ASSI { 206}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 112 and name HB# ))
3.200 1.200 1.200 peak 206 weight 0.10000E+01 volume 0.99577E-03 ppm1 6.893 ppm2 3.936 CV 1
ASSI { 207}
( segid " " and resid 81 and name HD% )
(( segid " " and resid 117 and name HA ))
3.600 1.600 1.600 peak 207 weight 0.10000E+01 volume 0.43322E-03 ppm1 6.899 ppm2 3.668 CV 1
ASSI { 208}
( segid " " and resid 62 and name HD% )
(( segid " " and resid 62 and name HB# ))
2.300 0.600 0.600 peak 208 weight 0.10000E+01 volume 0.70972E-02 ppm1 6.895 ppm2 3.271 CV 1
ASSI { 209}
( segid " " and resid 62 and name HD% )
(( segid " " and resid 62 and name HB# ))
2.400 0.700 0.700 peak 209 weight 0.10000E+01 volume 0.56228E-02 ppm1 6.896 ppm2 3.143 CV 1
ASSI { 210}
( segid " " and resid 62 and name HD% )
(( segid " " and resid 65 and name HB# ))
2.800 1.000 1.000 peak 210 weight 0.10000E+01 volume 0.19932E-02 ppm1 6.895 ppm2 1.793 CV 1
ASSI { 214}
( segid " " and resid 62 and name HD% )
(( segid " " and resid 66 and name HG1#))
3.500 1.500 1.500 peak 214 weight 0.10000E+01 volume 0.56463E-03 ppm1 6.893 ppm2 0.437 CV 1
ASSI { 215}
( segid " " and resid 62 and name HD% )
( segid " " and resid 53 and name HG# )
3.500 1.500 1.500 peak 215 weight 0.10000E+01 volume 0.57877E-03 ppm1 6.893 ppm2 0.581 CV 1
ASSI { 216}
( segid " " and resid 62 and name HD% )
( segid " " and resid 80 and name HE% )
2.700 0.900 0.900 peak 216 weight 0.10000E+01 volume 0.23445E-02 ppm1 6.895 ppm2 6.637 CV 1
ASSI { 217}
(( segid " " and resid 5 and name HZ ))
( segid " " and resid 5 and name HE% )
2.100 0.500 0.500 peak 217 weight 0.10000E+01 volume 0.12173E-01 ppm1 7.230 ppm2 7.412 CV 1
ASSI { 219}
(( segid " " and resid 5 and name HZ ))
( segid " " and resid 110 and name HB% )
2.700 0.900 0.900 peak 219 weight 0.10000E+01 volume 0.22658E-02 ppm1 7.225 ppm2 1.547 CV 1
ASSI { 222}
( segid " " and resid 5 and name HE% )
( segid " " and resid 5 and name HD% )
1.900 0.500 0.500 peak 222 weight 0.10000E+01 volume 0.18152E-01 ppm1 7.416 ppm2 7.232 CV 1
OR { 222}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 5 and name HZ ))
ASSI { 224}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 3 and name HB# ))
3.000 1.100 1.100 peak 224 weight 0.10000E+01 volume 0.14498E-02 ppm1 7.418 ppm2 1.738 CV 1
OR { 224}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 3 and name HG# ))
ASSI { 232}
( segid " " and resid 5 and name HD% )
( segid " " and resid 5 and name HE% )
2.200 0.600 0.600 peak 232 weight 0.10000E+01 volume 0.90065E-02 ppm1 7.213 ppm2 7.415 CV 1
ASSI { 246}
( segid " " and resid 80 and name HE% )
(( segid " " and resid 111 and name HB# ))
2.800 1.000 1.000 peak 246 weight 0.10000E+01 volume 0.20320E-02 ppm1 6.662 ppm2 2.826 CV 1
ASSI { 248}
( segid " " and resid 80 and name HD% )
(( segid " " and resid 111 and name HB# ))
2.700 0.900 0.900 peak 248 weight 0.10000E+01 volume 0.26830E-02 ppm1 6.803 ppm2 3.242 CV 1
ASSI { 249}
( segid " " and resid 80 and name HE% )
(( segid " " and resid 111 and name HB# ))
3.000 1.100 1.100 peak 249 weight 0.10000E+01 volume 0.14573E-02 ppm1 6.656 ppm2 3.269 CV 1
ASSI { 254}
( segid " " and resid 80 and name HD% )
(( segid " " and resid 80 and name HZ ))
2.900 1.000 1.000 peak 254 weight 0.10000E+01 volume 0.17667E-02 ppm1 6.806 ppm2 6.406 CV 1
ASSI { 257}
( segid " " and resid 80 and name HE% )
( segid " " and resid 80 and name HD% )
1.800 0.400 0.400 peak 257 weight 0.10000E+01 volume 0.33457E-01 ppm1 6.660 ppm2 6.809 CV 1
ASSI { 258}
(( segid " " and resid 80 and name HZ ))
( segid " " and resid 66 and name HG# )
2.700 0.900 0.900 peak 258 weight 0.10000E+01 volume 0.25763E-02 ppm1 6.402 ppm2 0.364 CV 1
ASSI { 259}
(( segid " " and resid 80 and name HZ ))
(( segid " " and resid 66 and name HG1#))
2.600 0.800 0.800 peak 259 weight 0.10000E+01 volume 0.33096E-02 ppm1 6.406 ppm2 0.445 CV 1
ASSI { 264}
(( segid " " and resid 80 and name HZ ))
( segid " " and resid 80 and name HE% )
2.300 0.700 0.700 peak 264 weight 0.10000E+01 volume 0.58286E-02 ppm1 6.402 ppm2 6.661 CV 1
ASSI { 265}
(( segid " " and resid 62 and name HZ ))
( segid " " and resid 51 and name HD% )
3.000 1.100 1.100 peak 265 weight 0.10000E+01 volume 0.14169E-02 ppm1 6.245 ppm2 7.070 CV 1
ASSI { 266}
(( segid " " and resid 62 and name HZ ))
( segid " " and resid 62 and name HD% )
3.700 1.700 1.700 peak 266 weight 0.10000E+01 volume 0.37779E-03 ppm1 6.239 ppm2 6.889 CV 1
ASSI { 267}
(( segid " " and resid 62 and name HZ ))
( segid " " and resid 62 and name HE% )
2.100 0.500 0.500 peak 267 weight 0.10000E+01 volume 0.11599E-01 ppm1 6.243 ppm2 6.526 CV 1
ASSI { 270}
(( segid " " and resid 62 and name HZ ))
( segid " " and resid 35 and name HG# )
2.200 0.600 0.600 peak 270 weight 0.10000E+01 volume 0.83506E-02 ppm1 6.243 ppm2 0.847 CV 1
ASSI { 271}
(( segid " " and resid 62 and name HZ ))
( segid " " and resid 33 and name HG# )
2.600 0.800 0.800 peak 271 weight 0.10000E+01 volume 0.35488E-02 ppm1 6.245 ppm2 0.619 CV 1
ASSI { 275}
(( segid " " and resid 106 and name HZ ))
(( segid " " and resid 19 and name HB# ))
2.200 0.600 0.600 peak 275 weight 0.10000E+01 volume 0.82073E-02 ppm1 6.941 ppm2 2.357 CV 1
ASSI { 276}
(( segid " " and resid 101 and name HD# ))
(( segid " " and resid 103 and name HA ))
2.300 0.700 0.700 peak 276 weight 0.10000E+01 volume 0.64835E-02 ppm1 6.964 ppm2 4.061 CV 1
ASSI { 278}
(( segid " " and resid 101 and name HD# ))
(( segid " " and resid 101 and name HB# ))
3.000 1.100 1.100 peak 278 weight 0.10000E+01 volume 0.12837E-02 ppm1 6.967 ppm2 2.280 CV 1
ASSI { 279}
(( segid " " and resid 101 and name HD# ))
(( segid " " and resid 101 and name HB# ))
3.100 1.200 1.200 peak 279 weight 0.10000E+01 volume 0.11742E-02 ppm1 6.965 ppm2 2.070 CV 1
ASSI { 280}
(( segid " " and resid 11 and name HD# ))
( segid " " and resid 7 and name HD% )
3.300 1.400 1.400 peak 280 weight 0.10000E+01 volume 0.74531E-03 ppm1 6.228 ppm2 7.057 CV 1
ASSI { 282}
(( segid " " and resid 11 and name HD# ))
(( segid " " and resid 10 and name HB# ))
3.100 1.200 1.200 peak 282 weight 0.10000E+01 volume 0.11877E-02 ppm1 6.222 ppm2 1.481 CV 1
ASSI { 284}
(( segid " " and resid 11 and name HD# ))
(( segid " " and resid 11 and name HB# ))
2.900 1.000 1.000 peak 284 weight 0.10000E+01 volume 0.17224E-02 ppm1 6.225 ppm2 2.566 CV 1
ASSI { 285}
( segid " " and resid 117 and name HE% )
( segid " " and resid 81 and name HD% )
3.300 1.400 1.400 peak 285 weight 0.10000E+01 volume 0.77064E-03 ppm1 6.593 ppm2 6.895 CV 1
ASSI { 289}
( segid " " and resid 117 and name HE% )
(( segid " " and resid 117 and name HA ))
3.200 1.300 1.300 peak 289 weight 0.10000E+01 volume 0.90569E-03 ppm1 6.590 ppm2 3.659 CV 1
ASSI { 290}
( segid " " and resid 117 and name HE% )
( segid " " and resid 119 and name HD# )
3.400 1.400 1.400 peak 290 weight 0.10000E+01 volume 0.67026E-03 ppm1 6.593 ppm2 0.774 CV 1
ASSI { 291}
( segid " " and resid 117 and name HE% )
( segid " " and resid 38 and name HB% )
2.900 1.000 1.000 peak 291 weight 0.10000E+01 volume 0.17749E-02 ppm1 6.593 ppm2 1.205 CV 1
ASSI { 293}
( segid " " and resid 117 and name HE% )
(( segid " " and resid 3 and name HG# ))
3.200 1.300 1.300 peak 293 weight 0.10000E+01 volume 0.84478E-03 ppm1 6.593 ppm2 1.744 CV 1
ASSI { 295}
( segid " " and resid 117 and name HE% )
(( segid " " and resid 39 and name HG# ))
3.400 1.500 1.500 peak 295 weight 0.10000E+01 volume 0.58539E-03 ppm1 6.591 ppm2 2.019 CV 1
ASSI { 296}
( segid " " and resid 117 and name HE% )
(( segid " " and resid 117 and name HB# ))
3.000 1.100 1.100 peak 296 weight 0.10000E+01 volume 0.13535E-02 ppm1 6.595 ppm2 2.524 CV 1
ASSI { 305}
( segid " " and resid 106 and name HD% )
(( segid " " and resid 34 and name HG1#))
3.000 1.100 1.100 peak 305 weight 0.10000E+01 volume 0.12725E-02 ppm1 6.847 ppm2 0.526 CV 1
ASSI { 307}
( segid " " and resid 106 and name HD% )
(( segid " " and resid 32 and name HG# ))
3.300 1.400 1.400 peak 307 weight 0.10000E+01 volume 0.72524E-03 ppm1 6.851 ppm2 2.491 CV 1
ASSI { 309}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 20 and name HA# ))
3.100 1.200 1.200 peak 309 weight 0.10000E+01 volume 0.10679E-02 ppm1 7.210 ppm2 4.096 CV 1
ASSI { 310}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 20 and name HA# ))
2.700 0.900 0.900 peak 310 weight 0.10000E+01 volume 0.24427E-02 ppm1 7.208 ppm2 3.066 CV 1
ASSI { 311}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 19 and name HG# ))
2.800 1.000 1.000 peak 311 weight 0.10000E+01 volume 0.20315E-02 ppm1 7.218 ppm2 2.468 CV 1
ASSI { 312}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 19 and name HB# ))
2.600 0.800 0.800 peak 312 weight 0.10000E+01 volume 0.31895E-02 ppm1 7.215 ppm2 2.350 CV 1
ASSI { 313}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 19 and name HB# ))
3.100 1.200 1.200 peak 313 weight 0.10000E+01 volume 0.10421E-02 ppm1 7.216 ppm2 2.255 CV 1
ASSI { 314}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 32 and name HB# ))
2.900 1.000 1.000 peak 314 weight 0.10000E+01 volume 0.17436E-02 ppm1 7.213 ppm2 1.856 CV 1
ASSI { 315}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 50 and name HD# ))
2.400 0.700 0.700 peak 315 weight 0.10000E+01 volume 0.53662E-02 ppm1 7.219 ppm2 1.632 CV 1
ASSI { 316}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 50 and name HD# ))
2.600 0.900 0.900 peak 316 weight 0.10000E+01 volume 0.30816E-02 ppm1 7.215 ppm2 1.548 CV 1
ASSI { 317}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 50 and name HB# ))
2.900 1.100 1.100 peak 317 weight 0.10000E+01 volume 0.15132E-02 ppm1 7.211 ppm2 1.205 CV 1
OR { 317}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 50 and name HG# ))
ASSI { 320}
(( segid " " and resid 106 and name HZ ))
(( segid " " and resid 50 and name HB# ))
3.900 1.900 1.900 peak 320 weight 0.10000E+01 volume 0.29703E-03 ppm1 6.938 ppm2 1.250 CV 1
ASSI { 325}
( segid " " and resid 105 and name HE% )
(( segid " " and resid 21 and name HB# ))
2.500 0.800 0.800 peak 325 weight 0.10000E+01 volume 0.38986E-02 ppm1 7.316 ppm2 1.898 CV 1
ASSI { 327}
( segid " " and resid 105 and name HE% )
(( segid " " and resid 17 and name HA ))
3.800 1.800 1.800 peak 327 weight 0.10000E+01 volume 0.33193E-03 ppm1 7.316 ppm2 4.452 CV 1
ASSI { 328}
( segid " " and resid 105 and name HE% )
(( segid " " and resid 105 and name HA ))
3.300 1.400 1.400 peak 328 weight 0.10000E+01 volume 0.70083E-03 ppm1 7.318 ppm2 3.605 CV 1
ASSI { 330}
(( segid " " and resid 105 and name HZ ))
(( segid " " and resid 21 and name HB# ))
3.700 1.700 1.700 peak 330 weight 0.10000E+01 volume 0.40380E-03 ppm1 7.345 ppm2 1.856 CV 1
ASSI { 332}
(( segid " " and resid 101 and name HD# ))
(( segid " " and resid 101 and name HA ))
4.400 2.400 1.600 peak 332 weight 0.10000E+01 volume 0.14258E-03 ppm1 6.967 ppm2 4.271 CV 1
ASSI { 336}
(( segid " " and resid 100 and name HD# ))
(( segid " " and resid 100 and name HB# ))
2.700 0.900 0.900 peak 336 weight 0.10000E+01 volume 0.24623E-02 ppm1 6.946 ppm2 2.796 CV 1
ASSI { 340}
(( segid " " and resid 100 and name HD# ))
( segid " " and resid 96 and name HD# )
2.300 0.600 0.600 peak 340 weight 0.10000E+01 volume 0.71605E-02 ppm1 6.951 ppm2 0.901 CV 1
ASSI { 342}
(( segid " " and resid 100 and name HE# ))
(( segid " " and resid 100 and name HD# ))
3.800 1.800 1.800 peak 342 weight 0.10000E+01 volume 0.30821E-03 ppm1 7.783 ppm2 6.950 CV 1
ASSI { 343}
( segid " " and resid 97 and name HD% )
(( segid " " and resid 101 and name HA ))
3.600 1.600 1.600 peak 343 weight 0.10000E+01 volume 0.48684E-03 ppm1 6.953 ppm2 4.267 CV 1
ASSI { 344}
( segid " " and resid 97 and name HD% )
(( segid " " and resid 32 and name HD# ))
2.900 1.100 1.100 peak 344 weight 0.10000E+01 volume 0.16314E-02 ppm1 6.957 ppm2 3.401 CV 1
ASSI { 348}
( segid " " and resid 81 and name HE% )
(( segid " " and resid 115 and name HA ))
3.400 1.500 1.500 peak 348 weight 0.10000E+01 volume 0.60684E-03 ppm1 7.199 ppm2 3.360 CV 1
ASSI { 351}
( segid " " and resid 81 and name HE% )
(( segid " " and resid 116 and name HA ))
3.200 1.300 1.300 peak 351 weight 0.10000E+01 volume 0.85618E-03 ppm1 7.198 ppm2 4.143 CV 1
ASSI { 352}
( segid " " and resid 80 and name HD% )
(( segid " " and resid 62 and name HB# ))
3.100 1.200 1.200 peak 352 weight 0.10000E+01 volume 0.10076E-02 ppm1 6.801 ppm2 3.135 CV 1
ASSI { 354}
( segid " " and resid 80 and name HD% )
( segid " " and resid 109 and name HD# )
3.800 1.800 1.800 peak 354 weight 0.10000E+01 volume 0.30456E-03 ppm1 6.806 ppm2 0.281 CV 1
ASSI { 355}
( segid " " and resid 80 and name HD% )
( segid " " and resid 63 and name HE% )
3.400 1.400 1.400 peak 355 weight 0.10000E+01 volume 0.63466E-03 ppm1 6.799 ppm2 6.123 CV 1
ASSI { 356}
( segid " " and resid 80 and name HE% )
( segid " " and resid 63 and name HE% )
3.700 1.700 1.700 peak 356 weight 0.10000E+01 volume 0.39194E-03 ppm1 6.663 ppm2 6.126 CV 1
ASSI { 358}
( segid " " and resid 79 and name HD% )
(( segid " " and resid 115 and name HB# ))
3.300 1.300 1.300 peak 358 weight 0.10000E+01 volume 0.82402E-03 ppm1 6.905 ppm2 3.505 CV 1
ASSI { 361}
(( segid " " and resid 71 and name HD# ))
(( segid " " and resid 71 and name HB# ))
2.700 0.900 0.900 peak 361 weight 0.10000E+01 volume 0.23158E-02 ppm1 7.122 ppm2 3.476 CV 1
ASSI { 363}
(( segid " " and resid 71 and name HD# ))
(( segid " " and resid 69 and name HB# ))
3.600 1.600 1.600 peak 363 weight 0.10000E+01 volume 0.44304E-03 ppm1 7.125 ppm2 1.913 CV 1
OR { 363}
(( segid " " and resid 71 and name HD# ))
(( segid " " and resid 69 and name HG# ))
ASSI { 364}
( segid " " and resid 64 and name HD% )
(( segid " " and resid 65 and name HA ))
3.100 1.200 1.200 peak 364 weight 0.10000E+01 volume 0.10900E-02 ppm1 7.342 ppm2 3.927 CV 1
ASSI { 365}
( segid " " and resid 64 and name HD% )
(( segid " " and resid 68 and name HG# ))
3.700 1.700 1.700 peak 365 weight 0.10000E+01 volume 0.40380E-03 ppm1 7.344 ppm2 1.297 CV 1
ASSI { 366}
( segid " " and resid 62 and name HE% )
(( segid " " and resid 35 and name HB ))
4.200 2.200 1.800 peak 366 weight 0.10000E+01 volume 0.18319E-03 ppm1 6.518 ppm2 2.040 CV 1
ASSI { 368}
( segid " " and resid 62 and name HE% )
( segid " " and resid 109 and name HG# )
3.600 1.600 1.600 peak 368 weight 0.10000E+01 volume 0.43734E-03 ppm1 6.519 ppm2 0.468 CV 1
ASSI { 369}
( segid " " and resid 62 and name HE% )
( segid " " and resid 51 and name HD% )
3.900 1.900 1.900 peak 369 weight 0.10000E+01 volume 0.26486E-03 ppm1 6.514 ppm2 7.071 CV 1
ASSI { 372}
( segid " " and resid 51 and name HE% )
(( segid " " and resid 50 and name HA ))
4.100 2.100 1.900 peak 372 weight 0.10000E+01 volume 0.81444E-03 ppm1 6.618 ppm2 5.098 CV 1
ASSI { 373}
( segid " " and resid 51 and name HE% )
(( segid " " and resid 51 and name HA ))
3.400 1.400 1.400 peak 373 weight 0.10000E+01 volume 0.93215E-03 ppm1 6.617 ppm2 4.450 CV 1
ASSI { 378}
( segid " " and resid 51 and name HE% )
( segid " " and resid 65 and name HD# )
2.300 0.700 0.700 peak 378 weight 0.10000E+01 volume 0.66704E-02 ppm1 6.617 ppm2 0.855 CV 1
ASSI { 383}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 23 and name HA ))
3.000 1.200 1.200 peak 383 weight 0.10000E+01 volume 0.12328E-02 ppm1 6.738 ppm2 3.763 CV 1
ASSI { 384}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 27 and name HB# ))
3.000 1.100 1.100 peak 384 weight 0.10000E+01 volume 0.13697E-02 ppm1 6.736 ppm2 2.910 CV 1
ASSI { 385}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 26 and name HB# ))
2.600 0.800 0.800 peak 385 weight 0.10000E+01 volume 0.31583E-02 ppm1 6.736 ppm2 1.471 CV 1
ASSI { 387}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 52 and name HB# ))
3.700 1.800 1.800 peak 387 weight 0.10000E+01 volume 0.35589E-03 ppm1 6.736 ppm2 1.262 CV 1
ASSI { 389}
( segid " " and resid 27 and name HE% )
( segid " " and resid 23 and name HG2# )
3.600 1.600 1.600 peak 389 weight 0.10000E+01 volume 0.43414E-03 ppm1 6.738 ppm2 0.861 CV 1
OR { 389}
( segid " " and resid 27 and name HE% )
( segid " " and resid 23 and name HD# )
ASSI { 390}
( segid " " and resid 27 and name HE% )
( segid " " and resid 52 and name HD# )
2.700 0.900 0.900 peak 390 weight 0.10000E+01 volume 0.23521E-02 ppm1 6.732 ppm2 0.493 CV 1
ASSI { 392}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 23 and name HG1#))
3.800 1.800 1.800 peak 392 weight 0.10000E+01 volume 0.31004E-03 ppm1 6.731 ppm2 1.820 CV 1
ASSI { 398}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 13 and name HZ ))
1.900 0.500 0.500 peak 398 weight 0.10000E+01 volume 0.17907E-01 ppm1 7.156 ppm2 7.279 CV 1
OR { 398}
( segid " " and resid 13 and name HE% )
( segid " " and resid 13 and name HD% )
ASSI { 399}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 104 and name HA ))
3.000 1.100 1.100 peak 399 weight 0.10000E+01 volume 0.14300E-02 ppm1 7.160 ppm2 4.135 CV 1
ASSI { 403}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HG# ))
3.700 1.700 1.700 peak 403 weight 0.10000E+01 volume 0.37962E-03 ppm1 7.161 ppm2 1.716 CV 1
ASSI { 404}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HG# ))
3.200 1.300 1.300 peak 404 weight 0.10000E+01 volume 0.94790E-03 ppm1 7.153 ppm2 1.795 CV 1
ASSI { 406}
(( segid " " and resid 81 and name HZ ))
(( segid " " and resid 79 and name HB# ))
3.800 1.800 1.800 peak 406 weight 0.10000E+01 volume 0.32190E-03 ppm1 7.156 ppm2 2.602 CV 1
ASSI { 407}
(( segid " " and resid 81 and name HZ ))
(( segid " " and resid 112 and name HB# ))
3.700 1.700 1.700 peak 407 weight 0.10000E+01 volume 0.37094E-03 ppm1 7.162 ppm2 4.278 CV 1
ASSI { 408}
(( segid " " and resid 81 and name HZ ))
(( segid " " and resid 112 and name HB# ))
3.800 1.800 1.800 peak 408 weight 0.10000E+01 volume 0.32851E-03 ppm1 7.157 ppm2 3.898 CV 1
ASSI { 413}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 63 and name HB# ))
2.900 1.000 1.000 peak 413 weight 0.10000E+01 volume 0.17096E-02 ppm1 6.135 ppm2 3.112 CV 1
ASSI { 416}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 78 and name HG ))
2.500 0.800 0.800 peak 416 weight 0.10000E+01 volume 0.44792E-02 ppm1 6.130 ppm2 1.122 CV 1
ASSI { 422}
(( segid " " and resid 13 and name HZ ))
(( segid " " and resid 104 and name HB# ))
2.900 1.100 1.100 peak 422 weight 0.10000E+01 volume 0.16373E-02 ppm1 7.281 ppm2 3.099 CV 1
ASSI { 425}
(( segid " " and resid 13 and name HZ ))
(( segid " " and resid 17 and name HD# ))
3.600 1.600 1.600 peak 425 weight 0.10000E+01 volume 0.43437E-03 ppm1 7.280 ppm2 3.327 CV 1
ASSI { 429}
(( segid " " and resid 79 and name HZ ))
( segid " " and resid 77 and name HB% )
2.900 1.000 1.000 peak 429 weight 0.10000E+01 volume 0.16854E-02 ppm1 7.238 ppm2 1.421 CV 1
ASSI { 430}
(( segid " " and resid 79 and name HZ ))
(( segid " " and resid 115 and name HB# ))
3.000 1.200 1.200 peak 430 weight 0.10000E+01 volume 0.12285E-02 ppm1 7.234 ppm2 3.472 CV 1
ASSI { 431}
(( segid " " and resid 79 and name HZ ))
(( segid " " and resid 114 and name HA ))
3.700 1.800 1.800 peak 431 weight 0.10000E+01 volume 0.35498E-03 ppm1 7.234 ppm2 4.638 CV 1
ASSI { 440}
( segid " " and resid 79 and name HE% )
( segid " " and resid 79 and name HD% )
1.700 0.400 0.500 peak 440 weight 0.10000E+01 volume 0.39644E-01 ppm1 7.220 ppm2 6.909 CV 1
ASSI { 442}
( segid " " and resid 106 and name HE% )
( segid " " and resid 106 and name HD% )
1.800 0.400 0.400 peak 442 weight 0.10000E+01 volume 0.29881E-01 ppm1 7.210 ppm2 6.860 CV 1
ASSI { 446}
( segid " " and resid 106 and name HE% )
(( segid " " and resid 34 and name HG1#))
4.200 2.200 1.800 peak 446 weight 0.10000E+01 volume 0.18159E-03 ppm1 7.208 ppm2 0.536 CV 1
ASSI { 449}
( segid " " and resid 80 and name HD% )
( segid " " and resid 66 and name HG# )
3.400 1.400 1.400 peak 449 weight 0.10000E+01 volume 0.65885E-03 ppm1 6.803 ppm2 0.379 CV 1
ASSI { 451}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 81 and name HZ ))
4.600 2.600 1.400 peak 451 weight 0.10000E+01 volume 0.10585E-03 ppm1 6.588 ppm2 7.150 CV 1
ASSI { 453}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 119 and name HB# ))
3.400 1.500 1.500 peak 453 weight 0.10000E+01 volume 0.61345E-03 ppm1 6.593 ppm2 1.452 CV 1
OR { 453}
( segid " " and resid 117 and name HD% )
(( segid " " and resid 119 and name HG ))
ASSI { 454}
( segid " " and resid 117 and name HE% )
(( segid " " and resid 112 and name HB# ))
3.800 1.800 1.800 peak 454 weight 0.10000E+01 volume 0.33353E-03 ppm1 6.587 ppm2 3.928 CV 1
ASSI { 455}
( segid " " and resid 117 and name HE% )
(( segid " " and resid 81 and name HB# ))
3.900 1.900 1.900 peak 455 weight 0.10000E+01 volume 0.27308E-03 ppm1 6.594 ppm2 2.757 CV 1
ASSI { 456}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HB# ))
4.800 2.900 1.200 peak 456 weight 0.10000E+01 volume 0.76653E-04 ppm1 7.152 ppm2 1.452 CV 1
ASSI { 458}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HB# ))
4.900 3.000 1.100 peak 458 weight 0.10000E+01 volume 0.69809E-04 ppm1 7.154 ppm2 0.915 CV 1
ASSI { 460}
(( segid " " and resid 13 and name HZ ))
( segid " " and resid 13 and name HE% )
2.000 0.500 0.500 peak 460 weight 0.10000E+01 volume 0.14008E-01 ppm1 7.287 ppm2 7.158 CV 1
ASSI { 471}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 66 and name HB ))
3.500 1.500 1.500 peak 471 weight 0.10000E+01 volume 0.52334E-03 ppm1 6.308 ppm2 1.776 CV 1
ASSI { 479}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 49 and name HA ))
3.200 1.200 1.200 peak 479 weight 0.10000E+01 volume 0.97712E-03 ppm1 7.062 ppm2 5.001 CV 1
ASSI { 480}
( segid " " and resid 97 and name HD% )
( segid " " and resid 97 and name HE% )
2.300 0.600 0.600 peak 480 weight 0.10000E+01 volume 0.72688E-02 ppm1 6.958 ppm2 6.669 CV 1
ASSI { 481}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 34 and name HB ))
4.600 2.600 1.400 peak 481 weight 0.10000E+01 volume 0.10335E-03 ppm1 7.424 ppm2 1.282 CV 1
ASSI { 485}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 30 and name HD# ))
6.000 4.500 0.000 peak 485 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.736 ppm2 2.702 CV 1
ASSI { 281}
(( segid " " and resid 11 and name HD# ))
(( segid " " and resid 7 and name HA ))
2.700 0.900 0.900 peak 281 weight 0.20000E+01 volume 0.24198E-02 ppm1 6.234 ppm2 4.366 CV 1
ASSI { 400}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HD# ))
2.400 0.700 0.700 peak 400 weight 0.20000E+01 volume 0.53062E-02 ppm1 7.156 ppm2 3.351 CV 1
ASSI { 49}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HA ))
2.200 0.600 0.600 peak 49 weight 0.20000E+01 volume 0.84289E-02 ppm1 7.163 ppm2 5.085 CV 1
ASSI { 82}
( segid " " and resid 7 and name HD% )
( segid " " and resid 34 and name HG# )
3.200 1.300 1.300 peak 82 weight 0.20000E+01 volume 0.87649E-03 ppm1 7.154 ppm2 0.630 CV 1
ASSI { 478}
( segid " " and resid 7 and name HD% )
(( segid " " and resid 50 and name HB# ))
3.500 1.600 1.600 peak 478 weight 0.20000E+01 volume 0.49460E-03 ppm1 7.162 ppm2 1.228 CV 1
ASSI { 71}
( segid " " and resid 51 and name HD% )
( segid " " and resid 33 and name HG# )
2.700 0.900 0.900 peak 71 weight 0.20000E+01 volume 0.23170E-02 ppm1 7.068 ppm2 0.639 CV 1
ASSI { 171}
( segid " " and resid 64 and name HD% )
( segid " " and resid 65 and name HD# )
3.300 1.400 1.400 peak 171 weight 0.20000E+01 volume 0.69421E-03 ppm1 7.346 ppm2 0.836 CV 1
ASSI { 139}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 79 and name HA ))
3.100 1.200 1.200 peak 139 weight 0.20000E+01 volume 0.11801E-02 ppm1 6.312 ppm2 4.692 CV 1
ASSI { 252}
( segid " " and resid 80 and name HE% )
(( segid " " and resid 80 and name HA ))
3.100 1.200 1.200 peak 252 weight 0.20000E+01 volume 0.10558E-02 ppm1 6.658 ppm2 6.031 CV 1
ASSI { 410}
(( segid " " and resid 81 and name HZ ))
( segid " " and resid 86 and name HD# )
3.100 1.200 1.200 peak 410 weight 0.20000E+01 volume 0.10134E-02 ppm1 7.179 ppm2 0.815 CV 1
ASSI { 423}
(( segid " " and resid 13 and name HZ ))
(( segid " " and resid 103 and name HG# ))
2.500 0.800 0.800 peak 423 weight 0.20000E+01 volume 0.35977E-02 ppm1 7.287 ppm2 2.422 CV 1
ASSI { 402}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 104 and name HB# ))
2.500 0.800 0.800 peak 402 weight 0.20000E+01 volume 0.44801E-02 ppm1 7.157 ppm2 2.421 CV 1
ASSI { 322}
(( segid " " and resid 106 and name HZ ))
(( segid " " and resid 19 and name HG# ))
2.600 0.900 0.900 peak 322 weight 0.20000E+01 volume 0.30306E-02 ppm1 6.939 ppm2 2.440 CV 1
ASSI { 474}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 3 and name HB# ))
3.600 1.700 1.700 peak 474 weight 0.20000E+01 volume 0.41999E-03 ppm1 6.354 ppm2 1.859 CV 1
ASSI { 301}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 5 and name HB# ))
3.000 1.100 1.100 peak 301 weight 0.20000E+01 volume 0.13789E-02 ppm1 6.340 ppm2 3.070 CV 1
ASSI { 470}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 5 and name HB# ))
4.000 2.000 2.000 peak 470 weight 0.20000E+01 volume 0.25254E-03 ppm1 6.360 ppm2 2.627 CV 1
ASSI { 299}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 5 and name HZ ))
2.900 1.000 1.000 peak 299 weight 0.20000E+01 volume 0.16790E-02 ppm1 6.343 ppm2 7.228 CV 1
ASSI { 302}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 8 and name HB# ))
2.700 0.900 0.900 peak 302 weight 0.20000E+01 volume 0.26741E-02 ppm1 6.344 ppm2 1.408 CV 1
ASSI { 146}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 34 and name HB ))
2.700 0.900 0.900 peak 146 weight 0.20000E+01 volume 0.23206E-02 ppm1 6.340 ppm2 1.259 CV 1
ASSI { 300}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 108 and name HA ))
3.200 1.200 1.200 peak 300 weight 0.20000E+01 volume 0.99874E-03 ppm1 6.346 ppm2 4.665 CV 1
ASSI { 137}
( segid " " and resid 108 and name HD% )
( segid " " and resid 108 and name HE% )
2.500 0.800 0.800 peak 137 weight 0.20000E+01 volume 0.38064E-02 ppm1 6.334 ppm2 6.804 CV 1
ASSI { 218}
( segid " " and resid 79 and name HE% )
(( segid " " and resid 114 and name HA ))
2.700 0.900 0.900 peak 218 weight 0.20000E+01 volume 0.23315E-02 ppm1 7.226 ppm2 4.641 CV 1
ASSI { 1}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 59 and name HN ))
2.600 0.900 0.900 peak 1 weight 0.10000E+01 volume 0.27789E-02 ppm1 4.819 ppm2 9.107 CV 1
ASSI { 3}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 59 and name HB ))
3.600 1.600 1.600 peak 3 weight 0.10000E+01 volume 0.47648E-03 ppm1 4.821 ppm2 2.402 CV 1
ASSI { 17}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 112 and name HA ))
2.400 0.700 0.700 peak 17 weight 0.10000E+01 volume 0.45921E-02 ppm1 4.274 ppm2 4.663 CV 1
ASSI { 24}
(( segid " " and resid 112 and name HB# ))
( segid " " and resid 81 and name HE% )
2.600 0.800 0.800 peak 24 weight 0.10000E+01 volume 0.34074E-02 ppm1 3.916 ppm2 7.203 CV 1
ASSI { 25}
(( segid " " and resid 112 and name HB# ))
( segid " " and resid 81 and name HE% )
2.400 0.700 0.700 peak 25 weight 0.10000E+01 volume 0.48768E-02 ppm1 4.287 ppm2 7.203 CV 1
ASSI { 30}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 38 and name HB% )
4.800 2.900 1.200 peak 30 weight 0.10000E+01 volume 0.79321E-04 ppm1 4.227 ppm2 1.214 CV 1
ASSI { 69}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 107 and name HD# )
2.400 0.700 0.700 peak 69 weight 0.10000E+01 volume 0.54895E-02 ppm1 3.855 ppm2 0.888 CV 1
ASSI { 72}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 97 and name HD% )
2.400 0.700 0.700 peak 72 weight 0.10000E+01 volume 0.47552E-02 ppm1 3.851 ppm2 6.946 CV 1
ASSI { 77}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HD% )
2.400 0.700 0.700 peak 77 weight 0.10000E+01 volume 0.49871E-02 ppm1 3.962 ppm2 7.296 CV 1
ASSI { 84}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 84 weight 0.10000E+01 volume 0.14988E-02 ppm1 4.366 ppm2 7.153 CV 1
ASSI { 86}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB# ))
2.000 0.500 0.500 peak 86 weight 0.10000E+01 volume 0.13527E-01 ppm1 4.613 ppm2 2.106 CV 1
ASSI { 88}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HA ))
3.300 1.300 1.300 peak 88 weight 0.10000E+01 volume 0.80180E-03 ppm1 4.606 ppm2 3.964 CV 1
ASSI { 94}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 67 and name HD# ))
2.400 0.700 0.700 peak 94 weight 0.10000E+01 volume 0.47675E-02 ppm1 4.036 ppm2 2.798 CV 1
ASSI { 107}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HB# ))
2.400 0.700 0.700 peak 107 weight 0.10000E+01 volume 0.45982E-02 ppm1 4.263 ppm2 1.890 CV 1
ASSI { 114}
(( segid " " and resid 116 and name HA ))
( segid " " and resid 116 and name HG# )
1.800 0.400 0.400 peak 114 weight 0.10000E+01 volume 0.27529E-01 ppm1 4.138 ppm2 0.748 CV 1
ASSI { 116}
(( segid " " and resid 116 and name HA ))
( segid " " and resid 81 and name HE% )
2.300 0.700 0.700 peak 116 weight 0.10000E+01 volume 0.65357E-02 ppm1 4.137 ppm2 7.179 CV 1
OR { 116}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 81 and name HZ ))
ASSI { 117}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 65 and name HB# ))
2.700 0.900 0.900 peak 117 weight 0.10000E+01 volume 0.24633E-02 ppm1 4.477 ppm2 1.796 CV 1
ASSI { 123}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 62 and name HE% )
3.700 1.700 1.700 peak 123 weight 0.10000E+01 volume 0.39460E-03 ppm1 4.463 ppm2 6.527 CV 1
ASSI { 124}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 62 and name HD% )
2.100 0.500 0.500 peak 124 weight 0.10000E+01 volume 0.11901E-01 ppm1 4.463 ppm2 6.900 CV 1
ASSI { 131}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 33 and name HG# )
3.500 1.500 1.500 peak 131 weight 0.10000E+01 volume 0.55760E-03 ppm1 5.132 ppm2 0.585 CV 1
ASSI { 137}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 93 and name HG# ))
5.400 3.600 0.600 peak 137 weight 0.10000E+01 volume 0.39280E-04 ppm1 4.996 ppm2 2.175 CV 1
ASSI { 138}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 93 and name HG# ))
4.000 2.000 2.000 peak 138 weight 0.10000E+01 volume 0.24087E-03 ppm1 4.988 ppm2 2.403 CV 1
ASSI { 139}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB ))
2.200 0.600 0.600 peak 139 weight 0.10000E+01 volume 0.82511E-02 ppm1 4.996 ppm2 4.844 CV 1
OR { 139}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 92 and name HB ))
ASSI { 147}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 88 and name HD# ))
2.000 0.500 0.500 peak 147 weight 0.10000E+01 volume 0.13914E-01 ppm1 4.853 ppm2 3.961 CV 1
ASSI { 149}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 86 and name HG1#))
3.600 1.600 1.600 peak 149 weight 0.10000E+01 volume 0.44032E-03 ppm1 4.702 ppm2 0.818 CV 1
OR { 149}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 86 and name HD# )
ASSI { 152}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 81 and name HD% )
3.900 1.900 1.900 peak 152 weight 0.10000E+01 volume 0.28292E-03 ppm1 4.691 ppm2 6.900 CV 1
ASSI { 154}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HD# )
2.100 0.500 0.500 peak 154 weight 0.10000E+01 volume 0.12053E-01 ppm1 4.440 ppm2 1.107 CV 1
OR { 154}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG2# )
ASSI { 155}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HG1#))
2.700 0.900 0.900 peak 155 weight 0.10000E+01 volume 0.27188E-02 ppm1 4.438 ppm2 1.447 CV 1
ASSI { 158}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 111 and name HE% )
5.800 4.300 0.200 peak 158 weight 0.10000E+01 volume 0.24247E-04 ppm1 4.437 ppm2 6.643 CV 1
ASSI { 161}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 82 and name HG# )
2.200 0.600 0.600 peak 161 weight 0.10000E+01 volume 0.83272E-02 ppm1 4.550 ppm2 0.818 CV 1
ASSI { 177}
(( segid " " and resid 92 and name HA ))
( segid " " and resid 92 and name HG# )
2.200 0.600 0.600 peak 177 weight 0.10000E+01 volume 0.79309E-02 ppm1 4.917 ppm2 1.237 CV 1
ASSI { 178}
(( segid " " and resid 92 and name HA ))
( segid " " and resid 91 and name HB% )
4.100 2.100 1.900 peak 178 weight 0.10000E+01 volume 0.21510E-03 ppm1 4.923 ppm2 1.507 CV 1
ASSI { 186}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 106 and name HA ))
3.600 1.600 1.600 peak 186 weight 0.10000E+01 volume 0.42791E-03 ppm1 5.119 ppm2 4.781 CV 1
ASSI { 187}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 97 and name HD% )
3.600 1.600 1.600 peak 187 weight 0.10000E+01 volume 0.44801E-03 ppm1 5.113 ppm2 6.938 CV 1
ASSI { 194}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 106 and name HB# ))
3.500 1.600 1.600 peak 194 weight 0.10000E+01 volume 0.49359E-03 ppm1 4.777 ppm2 3.101 CV 1
ASSI { 195}
(( segid " " and resid 106 and name HA ))
( segid " " and resid 106 and name HD% )
2.900 1.000 1.000 peak 195 weight 0.10000E+01 volume 0.17679E-02 ppm1 4.769 ppm2 6.853 CV 1
ASSI { 206}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HG1#))
2.600 0.800 0.800 peak 206 weight 0.10000E+01 volume 0.31246E-02 ppm1 5.203 ppm2 0.808 CV 1
ASSI { 221}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB# ))
2.100 0.500 0.500 peak 221 weight 0.10000E+01 volume 0.12756E-01 ppm1 4.495 ppm2 3.824 CV 1
ASSI { 235}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 59 and name HN ))
3.700 1.700 1.700 peak 235 weight 0.10000E+01 volume 0.40325E-03 ppm1 4.417 ppm2 9.113 CV 1
ASSI { 239}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HD% )
2.400 0.700 0.700 peak 239 weight 0.10000E+01 volume 0.55590E-02 ppm1 4.730 ppm2 7.203 CV 1
ASSI { 242}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 78 and name HG ))
3.100 1.200 1.200 peak 242 weight 0.10000E+01 volume 0.11310E-02 ppm1 4.709 ppm2 1.121 CV 1
OR { 242}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 78 and name HB# ))
ASSI { 244}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 63 and name HE% )
2.200 0.600 0.600 peak 244 weight 0.10000E+01 volume 0.86624E-02 ppm1 4.704 ppm2 6.131 CV 1
ASSI { 255}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 33 and name HG# )
2.700 0.900 0.900 peak 255 weight 0.10000E+01 volume 0.22461E-02 ppm1 4.939 ppm2 0.613 CV 1
ASSI { 256}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 35 and name HG# )
3.700 1.800 1.800 peak 256 weight 0.10000E+01 volume 0.34437E-03 ppm1 4.929 ppm2 0.842 CV 1
ASSI { 258}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 50 and name HB# ))
5.200 3.300 0.800 peak 258 weight 0.10000E+01 volume 0.49810E-04 ppm1 4.926 ppm2 1.641 CV 1
OR { 258}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 50 and name HD# ))
ASSI { 271}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 102 and name HB# ))
2.300 0.700 0.700 peak 271 weight 0.10000E+01 volume 0.62754E-02 ppm1 4.655 ppm2 2.705 CV 1
ASSI { 283}
(( segid " " and resid 112 and name HA ))
( segid " " and resid 43 and name HD# )
2.500 0.800 0.800 peak 283 weight 0.10000E+01 volume 0.39101E-02 ppm1 4.667 ppm2 1.121 CV 1
ASSI { 284}
(( segid " " and resid 112 and name HA ))
(( segid " " and resid 37 and name HG# ))
5.000 3.100 1.000 peak 284 weight 0.10000E+01 volume 0.62209E-04 ppm1 4.665 ppm2 0.861 CV 1
ASSI { 287}
(( segid " " and resid 112 and name HA ))
( segid " " and resid 81 and name HE% )
3.900 1.900 1.900 peak 287 weight 0.10000E+01 volume 0.28486E-03 ppm1 4.666 ppm2 7.179 CV 1
ASSI { 291}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB# ))
2.000 0.500 0.500 peak 291 weight 0.10000E+01 volume 0.13903E-01 ppm1 4.542 ppm2 1.657 CV 1
ASSI { 292}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 5 and name HD% )
4.000 2.000 2.000 peak 292 weight 0.10000E+01 volume 0.22591E-03 ppm1 4.543 ppm2 7.226 CV 1
ASSI { 297}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 47 and name HB# ))
3.400 1.500 1.500 peak 297 weight 0.10000E+01 volume 0.60339E-03 ppm1 4.489 ppm2 2.798 CV 1
ASSI { 303}
(( segid " " and resid 114 and name HA ))
( segid " " and resid 79 and name HD% )
3.300 1.400 1.400 peak 303 weight 0.10000E+01 volume 0.68292E-03 ppm1 4.636 ppm2 6.923 CV 1
ASSI { 309}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG# ))
2.200 0.600 0.600 peak 309 weight 0.10000E+01 volume 0.89664E-02 ppm1 4.974 ppm2 2.603 CV 1
ASSI { 310}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 111 and name HE% )
3.200 1.200 1.200 peak 310 weight 0.10000E+01 volume 0.96698E-03 ppm1 4.971 ppm2 6.643 CV 1
ASSI { 311}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 111 and name HD% )
4.200 2.200 1.800 peak 311 weight 0.10000E+01 volume 0.17444E-03 ppm1 4.967 ppm2 6.830 CV 1
ASSI { 312}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 5 and name HD% )
4.900 3.000 1.100 peak 312 weight 0.10000E+01 volume 0.72047E-04 ppm1 4.959 ppm2 7.226 CV 1
ASSI { 316}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 72 and name HB# ))
3.300 1.300 1.300 peak 316 weight 0.10000E+01 volume 0.77270E-03 ppm1 4.639 ppm2 1.703 CV 1
OR { 316}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 72 and name HG ))
ASSI { 322}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB# ))
2.500 0.800 0.800 peak 322 weight 0.10000E+01 volume 0.39926E-02 ppm1 4.550 ppm2 1.097 CV 1
ASSI { 324}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 79 and name HD% )
4.500 2.600 1.500 peak 324 weight 0.10000E+01 volume 0.11222E-03 ppm1 4.533 ppm2 6.923 CV 1
ASSI { 326}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB# ))
2.400 0.700 0.700 peak 326 weight 0.10000E+01 volume 0.54571E-02 ppm1 4.488 ppm2 1.377 CV 1
ASSI { 327}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB# ))
2.100 0.500 0.500 peak 327 weight 0.10000E+01 volume 0.11348E-01 ppm1 4.492 ppm2 1.680 CV 1
ASSI { 328}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 67 and name HD# ))
4.100 2.100 1.900 peak 328 weight 0.10000E+01 volume 0.19168E-03 ppm1 4.485 ppm2 2.791 CV 1
ASSI { 329}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 37 and name HE# ))
3.200 1.300 1.300 peak 329 weight 0.10000E+01 volume 0.86734E-03 ppm1 4.780 ppm2 3.008 CV 1
ASSI { 332}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 37 and name HD# ))
2.800 0.900 0.900 peak 332 weight 0.10000E+01 volume 0.21973E-02 ppm1 4.773 ppm2 1.657 CV 1
ASSI { 335}
(( segid " " and resid 113 and name HA ))
( segid " " and resid 43 and name HG# )
2.400 0.700 0.700 peak 335 weight 0.10000E+01 volume 0.47799E-02 ppm1 4.822 ppm2 1.121 CV 1
OR { 335}
(( segid " " and resid 113 and name HA ))
( segid " " and resid 43 and name HD# )
ASSI { 341}
(( segid " " and resid 113 and name HA ))
( segid " " and resid 79 and name HE% )
4.100 2.100 1.900 peak 341 weight 0.10000E+01 volume 0.19231E-03 ppm1 4.836 ppm2 7.226 CV 1
ASSI { 352}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB# ))
2.400 0.700 0.700 peak 352 weight 0.10000E+01 volume 0.46735E-02 ppm1 4.865 ppm2 1.307 CV 1
ASSI { 356}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HG# ))
3.500 1.500 1.500 peak 356 weight 0.10000E+01 volume 0.50904E-03 ppm1 5.095 ppm2 1.425 CV 1
OR { 356}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HB# ))
ASSI { 362}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HE% )
4.200 2.200 1.800 peak 362 weight 0.10000E+01 volume 0.16862E-03 ppm1 5.100 ppm2 6.737 CV 1
ASSI { 368}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 108 and name HN ))
2.100 0.500 0.500 peak 368 weight 0.10000E+01 volume 0.11896E-01 ppm1 4.704 ppm2 8.834 CV 1
ASSI { 371}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB# ))
2.000 0.500 0.500 peak 371 weight 0.10000E+01 volume 0.17086E-01 ppm1 4.673 ppm2 2.659 CV 1
ASSI { 381}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 40 and name HB# ))
4.000 2.000 2.000 peak 381 weight 0.10000E+01 volume 0.22903E-03 ppm1 4.479 ppm2 1.831 CV 1
ASSI { 386}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 88 and name HB# ))
4.100 2.100 1.900 peak 386 weight 0.10000E+01 volume 0.20374E-03 ppm1 4.513 ppm2 2.053 CV 1
ASSI { 387}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 88 and name HG# ))
3.500 1.500 1.500 peak 387 weight 0.10000E+01 volume 0.51119E-03 ppm1 4.503 ppm2 2.169 CV 1
ASSI { 390}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB# ))
2.800 1.000 1.000 peak 390 weight 0.10000E+01 volume 0.18588E-02 ppm1 5.028 ppm2 2.562 CV 1
ASSI { 400}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 63 and name HE% )
4.100 2.100 1.900 peak 400 weight 0.10000E+01 volume 0.20638E-03 ppm1 3.897 ppm2 6.131 CV 1
ASSI { 401}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB# ))
2.000 0.500 0.500 peak 401 weight 0.10000E+01 volume 0.15435E-01 ppm1 4.259 ppm2 4.033 CV 1
ASSI { 406}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 111 and name HE% )
4.300 2.300 1.700 peak 406 weight 0.10000E+01 volume 0.15033E-03 ppm1 4.411 ppm2 6.643 CV 1
ASSI { 409}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB# ))
2.200 0.600 0.600 peak 409 weight 0.10000E+01 volume 0.28264E-01 ppm1 4.495 ppm2 1.641 CV 1
ASSI { 410}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 43 and name HD# )
3.700 1.700 1.700 peak 410 weight 0.10000E+01 volume 0.35781E-03 ppm1 4.480 ppm2 1.113 CV 1
OR { 410}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 43 and name HG# )
ASSI { 418}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 69 and name HD# ))
2.500 0.800 0.800 peak 418 weight 0.10000E+01 volume 0.35259E-02 ppm1 -0.123 ppm2 3.306 CV 1
ASSI { 421}
( segid " " and resid 66 and name HD# )
( segid " " and resid 51 and name HE% )
2.300 0.700 0.700 peak 421 weight 0.10000E+01 volume 0.61651E-02 ppm1 -0.119 ppm2 6.631 CV 1
ASSI { 422}
( segid " " and resid 66 and name HD# )
( segid " " and resid 62 and name HD% )
3.000 1.100 1.100 peak 422 weight 0.10000E+01 volume 0.13094E-02 ppm1 -0.127 ppm2 6.898 CV 1
ASSI { 423}
( segid " " and resid 66 and name HD# )
( segid " " and resid 51 and name HD% )
3.000 1.100 1.100 peak 423 weight 0.10000E+01 volume 0.13693E-02 ppm1 -0.125 ppm2 7.068 CV 1
ASSI { 430}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 50 and name HD# ))
2.600 0.800 0.800 peak 430 weight 0.10000E+01 volume 0.31690E-02 ppm1 -0.568 ppm2 1.624 CV 1
OR { 430}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 50 and name HB# ))
ASSI { 435}
( segid " " and resid 34 and name HD# )
( segid " " and resid 7 and name HE% )
2.800 1.000 1.000 peak 435 weight 0.10000E+01 volume 0.21266E-02 ppm1 -0.563 ppm2 6.172 CV 1
ASSI { 436}
( segid " " and resid 34 and name HD# )
( segid " " and resid 106 and name HD% )
2.600 0.800 0.800 peak 436 weight 0.10000E+01 volume 0.30442E-02 ppm1 -0.555 ppm2 6.877 CV 1
ASSI { 438}
( segid " " and resid 34 and name HD# )
( segid " " and resid 106 and name HE% )
2.600 0.800 0.800 peak 438 weight 0.10000E+01 volume 0.31658E-02 ppm1 -0.563 ppm2 7.178 CV 1
ASSI { 441}
( segid " " and resid 109 and name HD# )
( segid " " and resid 33 and name HG# )
2.000 0.500 0.500 peak 441 weight 0.10000E+01 volume 0.14152E-01 ppm1 0.291 ppm2 0.657 CV 1
ASSI { 451}
( segid " " and resid 109 and name HD# )
( segid " " and resid 62 and name HD% )
2.600 0.900 0.900 peak 451 weight 0.10000E+01 volume 0.28983E-02 ppm1 0.295 ppm2 6.909 CV 1
ASSI { 460}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 79 and name HA ))
3.400 1.500 1.500 peak 460 weight 0.10000E+01 volume 0.57880E-03 ppm1 0.816 ppm2 4.683 CV 1
ASSI { 462}
( segid " " and resid 86 and name HD# )
( segid " " and resid 79 and name HD% )
2.200 0.600 0.600 peak 462 weight 0.10000E+01 volume 0.75697E-02 ppm1 0.829 ppm2 6.912 CV 1
ASSI { 463}
( segid " " and resid 86 and name HD# )
( segid " " and resid 81 and name HE% )
2.200 0.600 0.600 peak 463 weight 0.10000E+01 volume 0.90799E-02 ppm1 0.825 ppm2 7.206 CV 1
ASSI { 465}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 23 and name HG1#))
1.900 0.400 0.400 peak 465 weight 0.10000E+01 volume 0.23380E-01 ppm1 0.878 ppm2 1.196 CV 1
ASSI { 466}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 32 and name HG# ))
2.700 0.900 0.900 peak 466 weight 0.10000E+01 volume 0.24209E-02 ppm1 0.869 ppm2 1.421 CV 1
ASSI { 477}
( segid " " and resid 23 and name HD# )
( segid " " and resid 106 and name HE% )
2.400 0.700 0.700 peak 477 weight 0.10000E+01 volume 0.44310E-02 ppm1 0.880 ppm2 7.205 CV 1
ASSI { 479}
( segid " " and resid 70 and name HD# )
( segid " " and resid 72 and name HD# )
1.800 0.400 0.400 peak 479 weight 0.10000E+01 volume 0.26536E-01 ppm1 0.460 ppm2 0.867 CV 1
ASSI { 480}
( segid " " and resid 70 and name HD# )
( segid " " and resid 43 and name HG# )
2.100 0.500 0.500 peak 480 weight 0.10000E+01 volume 0.12233E-01 ppm1 0.460 ppm2 1.126 CV 1
OR { 480}
( segid " " and resid 70 and name HD# )
( segid " " and resid 43 and name HD# )
ASSI { 482}
( segid " " and resid 70 and name HD# )
(( segid " " and resid 70 and name HB ))
2.000 0.500 0.500 peak 482 weight 0.10000E+01 volume 0.15709E-01 ppm1 0.460 ppm2 1.736 CV 1
ASSI { 485}{, calib c3792}
( segid " " and resid 70 and name HD# )
(( segid " " and resid 43 and name HA ))
5.100 3.200 0.900 peak 485 weight 0.10000E+01 volume 0.18851E-02 ppm1 0.460 ppm2 4.427 CV 1
ASSI { 486}
( segid " " and resid 70 and name HD# )
( segid " " and resid 111 and name HE% )
2.200 0.600 0.600 peak 486 weight 0.10000E+01 volume 0.77787E-02 ppm1 0.461 ppm2 6.652 CV 1
ASSI { 487}
( segid " " and resid 70 and name HD# )
( segid " " and resid 111 and name HD% )
2.700 0.900 0.900 peak 487 weight 0.10000E+01 volume 0.25488E-02 ppm1 0.460 ppm2 6.831 CV 1
ASSI { 489}
( segid " " and resid 93 and name HE% )
( segid " " and resid 33 and name HG# )
1.800 0.400 0.400 peak 489 weight 0.10000E+01 volume 0.31345E-01 ppm1 0.976 ppm2 0.587 CV 1
ASSI { 491}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 93 and name HB# ))
2.300 0.700 0.700 peak 491 weight 0.10000E+01 volume 0.66335E-02 ppm1 0.976 ppm2 1.981 CV 1
ASSI { 498}
( segid " " and resid 93 and name HE% )
( segid " " and resid 62 and name HE% )
2.600 0.800 0.800 peak 498 weight 0.10000E+01 volume 0.32311E-02 ppm1 0.985 ppm2 6.523 CV 1
ASSI { 499}
( segid " " and resid 93 and name HE% )
( segid " " and resid 62 and name HD% )
2.500 0.800 0.800 peak 499 weight 0.10000E+01 volume 0.38791E-02 ppm1 0.979 ppm2 6.905 CV 1
ASSI { 506}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 43 and name HG1#))
2.000 0.500 0.500 peak 506 weight 0.10000E+01 volume 0.15151E-01 ppm1 1.137 ppm2 1.456 CV 1
ASSI { 515}{calib c3740}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 43 and name HA ))
2.900 1.100 1.100 peak 515 weight 0.10000E+01 volume 0.28103E-02 ppm1 1.140 ppm2 4.438 CV 1
OR { 515}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 41 and name HA ))
ASSI { 516}
( segid " " and resid 43 and name HD# )
( segid " " and resid 111 and name HE% )
2.100 0.500 0.500 peak 516 weight 0.10000E+01 volume 0.11347E-01 ppm1 1.141 ppm2 6.656 CV 1
ASSI { 519}
( segid " " and resid 86 and name HG# )
( segid " " and resid 86 and name HD# )
1.800 0.400 0.400 peak 519 weight 0.10000E+01 volume 0.30728E-01 ppm1 1.159 ppm2 0.811 CV 1
ASSI { 530}
( segid " " and resid 86 and name HG# )
( segid " " and resid 79 and name HD% )
2.400 0.700 0.700 peak 530 weight 0.10000E+01 volume 0.47413E-02 ppm1 1.160 ppm2 6.910 CV 1
ASSI { 542}
( segid " " and resid 109 and name HG# )
( segid " " and resid 80 and name HD% )
2.400 0.700 0.700 peak 542 weight 0.10000E+01 volume 0.49631E-02 ppm1 0.469 ppm2 6.821 CV 1
ASSI { 558}
( segid " " and resid 3 and name HE% )
( segid " " and resid 117 and name HE% )
2.300 0.700 0.700 peak 558 weight 0.10000E+01 volume 0.67071E-02 ppm1 1.642 ppm2 6.585 CV 1
OR { 558}
( segid " " and resid 3 and name HE% )
( segid " " and resid 117 and name HD% )
ASSI { 559}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 5 and name HZ ))
2.200 0.600 0.600 peak 559 weight 0.10000E+01 volume 0.78878E-02 ppm1 1.644 ppm2 7.231 CV 1
ASSI { 560}
( segid " " and resid 3 and name HE% )
( segid " " and resid 5 and name HE% )
2.300 0.700 0.700 peak 560 weight 0.10000E+01 volume 0.63005E-02 ppm1 1.644 ppm2 7.427 CV 1
ASSI { 568}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 34 and name HA ))
2.500 0.800 0.800 peak 568 weight 0.10000E+01 volume 0.40822E-02 ppm1 0.647 ppm2 4.939 CV 1
ASSI { 583}
( segid " " and resid 66 and name HG# )
( segid " " and resid 111 and name HD% )
2.700 0.900 0.900 peak 583 weight 0.10000E+01 volume 0.25129E-02 ppm1 0.367 ppm2 6.814 CV 1
ASSI { 584}
( segid " " and resid 66 and name HG# )
(( segid " " and resid 66 and name HN ))
2.700 0.900 0.900 peak 584 weight 0.10000E+01 volume 0.22556E-02 ppm1 0.371 ppm2 7.823 CV 1
ASSI { 597}
( segid " " and resid 38 and name HB% )
( segid " " and resid 117 and name HE% )
2.200 0.600 0.600 peak 597 weight 0.10000E+01 volume 0.92254E-02 ppm1 1.199 ppm2 6.586 CV 1
OR { 597}
( segid " " and resid 38 and name HB% )
( segid " " and resid 117 and name HD% )
ASSI { 598}
( segid " " and resid 38 and name HB% )
( segid " " and resid 81 and name HE% )
2.900 1.000 1.000 peak 598 weight 0.10000E+01 volume 0.17682E-02 ppm1 1.203 ppm2 7.185 CV 1
ASSI { 600}
( segid " " and resid 70 and name HG# )
( segid " " and resid 70 and name HD# )
2.000 0.500 0.500 peak 600 weight 0.10000E+01 volume 0.16143E-01 ppm1 0.749 ppm2 0.454 CV 1
ASSI { 602}
( segid " " and resid 70 and name HG# )
( segid " " and resid 43 and name HD# )
2.600 0.800 0.800 peak 602 weight 0.10000E+01 volume 0.33641E-02 ppm1 0.736 ppm2 1.119 CV 1
OR { 602}
( segid " " and resid 70 and name HG# )
( segid " " and resid 43 and name HG# )
ASSI { 604}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 70 and name HB ))
1.900 0.400 0.400 peak 604 weight 0.10000E+01 volume 0.20639E-01 ppm1 0.740 ppm2 1.729 CV 1
ASSI { 609}{recal BP 3925}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 46 and name HA ))
3.100 1.200 1.200 peak 609 weight 0.10000E+01 volume 0.65334E-02 ppm1 0.745 ppm2 4.417 CV 1
ASSI { 610}
( segid " " and resid 70 and name HG# )
( segid " " and resid 111 and name HE% )
2.700 0.900 0.900 peak 610 weight 0.10000E+01 volume 0.25477E-02 ppm1 0.745 ppm2 6.645 CV 1
ASSI { 611}
( segid " " and resid 70 and name HG# )
( segid " " and resid 111 and name HD% )
3.700 1.700 1.700 peak 611 weight 0.10000E+01 volume 0.39571E-03 ppm1 0.740 ppm2 6.817 CV 1
ASSI { 616}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 23 and name HB ))
1.900 0.400 0.400 peak 616 weight 0.10000E+01 volume 0.22563E-01 ppm1 0.871 ppm2 1.817 CV 1
ASSI { 626}
( segid " " and resid 23 and name HG# )
( segid " " and resid 27 and name HE% )
2.700 0.900 0.900 peak 626 weight 0.10000E+01 volume 0.24250E-02 ppm1 0.869 ppm2 6.733 CV 1
ASSI { 628}
( segid " " and resid 43 and name HG# )
( segid " " and resid 70 and name HD# )
2.800 1.000 1.000 peak 628 weight 0.10000E+01 volume 0.20290E-02 ppm1 1.110 ppm2 0.454 CV 1
ASSI { 630}
( segid " " and resid 43 and name HG# )
( segid " " and resid 72 and name HD# )
2.000 0.500 0.500 peak 630 weight 0.10000E+01 volume 0.13637E-01 ppm1 1.108 ppm2 0.867 CV 1
ASSI { 632}
( segid " " and resid 43 and name HG# )
( segid " " and resid 41 and name HB% )
2.100 0.500 0.500 peak 632 weight 0.10000E+01 volume 0.11802E-01 ppm1 1.109 ppm2 1.611 CV 1
ASSI { 640}
( segid " " and resid 43 and name HG# )
( segid " " and resid 111 and name HE% )
2.200 0.600 0.600 peak 640 weight 0.10000E+01 volume 0.83866E-02 ppm1 1.110 ppm2 6.653 CV 1
ASSI { 641}
( segid " " and resid 43 and name HG# )
( segid " " and resid 111 and name HD% )
2.500 0.800 0.800 peak 641 weight 0.10000E+01 volume 0.38300E-02 ppm1 1.110 ppm2 6.821 CV 1
ASSI { 642}
( segid " " and resid 74 and name HB% )
(( segid " " and resid 75 and name HG# ))
2.800 1.000 1.000 peak 642 weight 0.10000E+01 volume 0.19822E-02 ppm1 1.386 ppm2 2.192 CV 1
ASSI { 652}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 31 and name HB ))
1.900 0.400 0.400 peak 652 weight 0.10000E+01 volume 0.21272E-01 ppm1 0.411 ppm2 1.386 CV 1
ASSI { 653}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 93 and name HB# ))
2.400 0.700 0.700 peak 653 weight 0.10000E+01 volume 0.49564E-02 ppm1 0.408 ppm2 1.969 CV 1
ASSI { 660}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 30 and name HA ))
3.000 1.100 1.100 peak 660 weight 0.10000E+01 volume 0.12410E-02 ppm1 0.402 ppm2 4.879 CV 1
ASSI { 661}
( segid " " and resid 31 and name HG# )
( segid " " and resid 97 and name HD% )
2.800 1.000 1.000 peak 661 weight 0.10000E+01 volume 0.21624E-02 ppm1 0.409 ppm2 6.952 CV 1
ASSI { 667}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 88 and name HB# ))
2.300 0.700 0.700 peak 667 weight 0.10000E+01 volume 0.63067E-02 ppm1 1.506 ppm2 2.045 CV 1
ASSI { 668}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 88 and name HG# ))
2.000 0.500 0.500 peak 668 weight 0.10000E+01 volume 0.14393E-01 ppm1 1.506 ppm2 2.171 CV 1
ASSI { 669}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 95 and name HB# ))
2.300 0.700 0.700 peak 669 weight 0.10000E+01 volume 0.62509E-02 ppm1 1.506 ppm2 2.409 CV 1
ASSI { 692}
( segid " " and resid 66 and name HG# )
(( segid " " and resid 63 and name HA ))
3.300 1.400 1.400 peak 692 weight 0.10000E+01 volume 0.70405E-03 ppm1 0.360 ppm2 3.950 CV 1
ASSI { 706}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 87 and name HD# ))
3.100 1.200 1.200 peak 706 weight 0.10000E+01 volume 0.11429E-02 ppm1 0.975 ppm2 4.065 CV 1
ASSI { 713}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 118 and name HA# ))
3.000 1.200 1.200 peak 713 weight 0.10000E+01 volume 0.11852E-02 ppm1 0.751 ppm2 3.668 CV 1
OR { 713}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 117 and name HA ))
ASSI { 715}
( segid " " and resid 116 and name HG# )
( segid " " and resid 81 and name HE% )
3.100 1.200 1.200 peak 715 weight 0.10000E+01 volume 0.10481E-02 ppm1 0.752 ppm2 7.195 CV 1
OR { 715}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 81 and name HZ ))
ASSI { 716}
( segid " " and resid 116 and name HG# )
( segid " " and resid 117 and name HD% )
3.500 1.500 1.500 peak 716 weight 0.10000E+01 volume 0.54485E-03 ppm1 0.757 ppm2 6.588 CV 1
OR { 716}
( segid " " and resid 116 and name HG# )
( segid " " and resid 117 and name HE% )
ASSI { 729}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 93 and name HA ))
3.700 1.700 1.700 peak 729 weight 0.10000E+01 volume 0.38968E-03 ppm1 0.566 ppm2 4.366 CV 1
ASSI { 730}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 62 and name HA ))
4.000 2.000 2.000 peak 730 weight 0.10000E+01 volume 0.24745E-03 ppm1 0.571 ppm2 4.469 CV 1
ASSI { 731}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 53 and name HA ))
2.400 0.700 0.700 peak 731 weight 0.10000E+01 volume 0.50054E-02 ppm1 0.564 ppm2 4.834 CV 1
ASSI { 733}
( segid " " and resid 53 and name HG# )
( segid " " and resid 62 and name HE% )
2.900 1.000 1.000 peak 733 weight 0.10000E+01 volume 0.16171E-02 ppm1 0.561 ppm2 6.521 CV 1
ASSI { 739}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 93 and name HN ))
3.800 1.800 1.800 peak 739 weight 0.10000E+01 volume 0.30766E-03 ppm1 0.570 ppm2 9.365 CV 1
ASSI { 748}
( segid " " and resid 77 and name HB% )
( segid " " and resid 79 and name HD% )
2.700 0.900 0.900 peak 748 weight 0.10000E+01 volume 0.26263E-02 ppm1 1.427 ppm2 6.898 CV 1
ASSI { 749}
( segid " " and resid 77 and name HB% )
( segid " " and resid 79 and name HE% )
2.100 0.500 0.500 peak 749 weight 0.10000E+01 volume 0.12490E-01 ppm1 1.431 ppm2 7.212 CV 1
ASSI { 758}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 37 and name HE# ))
2.400 0.700 0.700 peak 758 weight 0.10000E+01 volume 0.44946E-02 ppm1 1.610 ppm2 3.010 CV 1
ASSI { 762}
( segid " " and resid 41 and name HB% )
( segid " " and resid 43 and name HD# )
2.000 0.500 0.500 peak 762 weight 0.10000E+01 volume 0.15699E-01 ppm1 1.605 ppm2 1.119 CV 1
ASSI { 769}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 87 and name HB# ))
4.800 2.900 1.200 peak 769 weight 0.10000E+01 volume 0.77243E-04 ppm1 0.642 ppm2 2.009 CV 1
ASSI { 782}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 83 and name HD21))
3.600 1.600 1.600 peak 782 weight 0.10000E+01 volume 0.46637E-03 ppm1 0.639 ppm2 9.030 CV 1
ASSI { 787}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 83 and name HB# ))
2.900 1.100 1.100 peak 787 weight 0.10000E+01 volume 0.15734E-02 ppm1 0.971 ppm2 3.018 CV 1
ASSI { 808}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 109 and name HA ))
2.500 0.800 0.800 peak 808 weight 0.10000E+01 volume 0.40043E-02 ppm1 0.827 ppm2 4.843 CV 1
ASSI { 817}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 31 and name HB ))
2.100 0.500 0.500 peak 817 weight 0.10000E+01 volume 0.12769E-01 ppm1 0.381 ppm2 1.389 CV 1
ASSI { 827}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 30 and name HA ))
4.400 2.400 1.600 peak 827 weight 0.10000E+01 volume 0.13232E-03 ppm1 0.385 ppm2 4.888 CV 1
ASSI { 835}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 93 and name HG# ))
2.300 0.600 0.600 peak 835 weight 0.10000E+01 volume 0.68057E-02 ppm1 0.863 ppm2 2.164 CV 1
ASSI { 836}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 59 and name HB ))
2.100 0.500 0.500 peak 836 weight 0.10000E+01 volume 0.11568E-01 ppm1 0.867 ppm2 2.401 CV 1
ASSI { 839}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 54 and name HD# ))
2.800 0.900 0.900 peak 839 weight 0.10000E+01 volume 0.22022E-02 ppm1 0.863 ppm2 3.561 CV 1
ASSI { 842}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 54 and name HD# ))
2.400 0.700 0.700 peak 842 weight 0.10000E+01 volume 0.47826E-02 ppm1 0.859 ppm2 3.984 CV 1
ASSI { 843}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 62 and name HB# ))
3.100 1.200 1.200 peak 843 weight 0.10000E+01 volume 0.10783E-02 ppm1 0.863 ppm2 3.131 CV 1
ASSI { 851}
( segid " " and resid 53 and name HG# )
( segid " " and resid 62 and name HE% )
2.400 0.700 0.700 peak 851 weight 0.10000E+01 volume 0.46306E-02 ppm1 0.863 ppm2 6.517 CV 1
ASSI { 852}
( segid " " and resid 59 and name HG# )
( segid " " and resid 80 and name HE% )
2.500 0.800 0.800 peak 852 weight 0.10000E+01 volume 0.41075E-02 ppm1 0.863 ppm2 6.652 CV 1
ASSI { 858}
( segid " " and resid 53 and name HG# )
( segid " " and resid 51 and name HD% )
2.600 0.800 0.800 peak 858 weight 0.10000E+01 volume 0.33243E-02 ppm1 0.859 ppm2 7.058 CV 1
ASSI { 862}
( segid " " and resid 33 and name HG# )
( segid " " and resid 35 and name HG# )
1.800 0.400 0.400 peak 862 weight 0.10000E+01 volume 0.24332E-01 ppm1 0.639 ppm2 0.800 CV 1
ASSI { 865}
( segid " " and resid 33 and name HG# )
( segid " " and resid 31 and name HG# )
2.000 0.500 0.500 peak 865 weight 0.10000E+01 volume 0.16058E-01 ppm1 0.584 ppm2 0.390 CV 1
ASSI { 868}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 109 and name HG1#))
2.300 0.600 0.600 peak 868 weight 0.10000E+01 volume 0.69573E-02 ppm1 0.639 ppm2 1.350 CV 1
ASSI { 874}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 108 and name HA ))
3.200 1.300 1.300 peak 874 weight 0.10000E+01 volume 0.80942E-03 ppm1 0.639 ppm2 4.693 CV 1
ASSI { 875}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 109 and name HA ))
3.200 1.300 1.300 peak 875 weight 0.10000E+01 volume 0.81448E-03 ppm1 0.638 ppm2 4.866 CV 1
ASSI { 876}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 33 and name HA ))
2.000 0.500 0.500 peak 876 weight 0.10000E+01 volume 0.12887E-01 ppm1 0.639 ppm2 5.109 CV 1
ASSI { 891}
( segid " " and resid 33 and name HG# )
( segid " " and resid 62 and name HE% )
3.400 1.500 1.500 peak 891 weight 0.10000E+01 volume 0.57977E-03 ppm1 0.581 ppm2 6.507 CV 1
ASSI { 893}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 33 and name HA ))
2.100 0.600 0.600 peak 893 weight 0.10000E+01 volume 0.10406E-01 ppm1 0.588 ppm2 5.111 CV 1
ASSI { 894}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 52 and name HA ))
3.000 1.100 1.100 peak 894 weight 0.10000E+01 volume 0.12759E-02 ppm1 0.583 ppm2 4.855 CV 1
ASSI { 898}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 107 and name HB# ))
2.600 0.800 0.800 peak 898 weight 0.10000E+01 volume 0.33855E-02 ppm1 0.583 ppm2 2.030 CV 1
ASSI { 901}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 107 and name HB# ))
2.400 0.700 0.700 peak 901 weight 0.10000E+01 volume 0.55426E-02 ppm1 0.581 ppm2 1.388 CV 1
ASSI { 905}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 109 and name HB ))
2.300 0.700 0.700 peak 905 weight 0.10000E+01 volume 0.63397E-02 ppm1 0.829 ppm2 1.523 CV 1
ASSI { 914}
( segid " " and resid 35 and name HG# )
( segid " " and resid 51 and name HE% )
2.300 0.600 0.600 peak 914 weight 0.10000E+01 volume 0.72582E-02 ppm1 0.820 ppm2 6.613 CV 1
ASSI { 919}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 109 and name HN ))
3.400 1.400 1.400 peak 919 weight 0.10000E+01 volume 0.61330E-03 ppm1 0.823 ppm2 9.372 CV 1
ASSI { 921}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 6 and name HA ))
1.900 0.500 0.500 peak 921 weight 0.10000E+01 volume 0.18299E-01 ppm1 1.126 ppm2 3.714 CV 1
ASSI { 928}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 63 and name HB# ))
3.900 1.900 1.900 peak 928 weight 0.10000E+01 volume 0.25514E-03 ppm1 1.375 ppm2 3.117 CV 1
ASSI { 932}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 90 and name HA ))
3.800 1.800 1.800 peak 932 weight 0.10000E+01 volume 0.30655E-03 ppm1 1.375 ppm2 4.426 CV 1
ASSI { 939}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 66 and name HG1#))
2.300 0.600 0.600 peak 939 weight 0.10000E+01 volume 0.72089E-02 ppm1 0.902 ppm2 0.434 CV 1
ASSI { 949}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 110 and name HA ))
2.700 0.900 0.900 peak 949 weight 0.10000E+01 volume 0.24157E-02 ppm1 0.902 ppm2 6.512 CV 1
ASSI { 951}
( segid " " and resid 35 and name HG# )
( segid " " and resid 111 and name HD% )
2.000 0.500 0.500 peak 951 weight 0.10000E+01 volume 0.13339E-01 ppm1 0.893 ppm2 6.820 CV 1
ASSI { 962}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 36 and name HB# ))
2.800 1.000 1.000 peak 962 weight 0.10000E+01 volume 0.20617E-02 ppm1 1.560 ppm2 1.887 CV 1
ASSI { 968}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 81 and name HA ))
4.700 2.700 1.300 peak 968 weight 0.10000E+01 volume 0.92068E-04 ppm1 1.566 ppm2 5.070 CV 1
ASSI { 970}
( segid " " and resid 110 and name HB% )
( segid " " and resid 81 and name HD% )
2.500 0.800 0.800 peak 970 weight 0.10000E+01 volume 0.39779E-02 ppm1 1.565 ppm2 6.893 CV 1
ASSI { 979}
(( segid " " and resid 37 and name HG# ))
(( segid " " and resid 37 and name HE# ))
2.500 0.800 0.800 peak 979 weight 0.10000E+01 volume 0.43932E-02 ppm1 1.664 ppm2 3.023 CV 1
ASSI { 980}
(( segid " " and resid 37 and name HG# ))
(( segid " " and resid 37 and name HB# ))
2.000 0.500 0.500 peak 980 weight 0.10000E+01 volume 0.13659E-01 ppm1 0.863 ppm2 1.549 CV 1
ASSI { 983}
(( segid " " and resid 37 and name HG# ))
( segid " " and resid 111 and name HE% )
2.800 1.000 1.000 peak 983 weight 0.10000E+01 volume 0.19560E-02 ppm1 0.867 ppm2 6.658 CV 1
ASSI { 996}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HG ))
1.800 0.400 0.400 peak 996 weight 0.10000E+01 volume 0.30440E-01 ppm1 0.898 ppm2 1.690 CV 1
OR { 996}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HB# ))
ASSI { 998}
( segid " " and resid 96 and name HD# )
( segid " " and resid 82 and name HG# )
2.200 0.600 0.600 peak 998 weight 0.10000E+01 volume 0.74808E-02 ppm1 0.902 ppm2 0.639 CV 1
ASSI { 1001}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 96 and name HB# ))
1.900 0.500 0.500 peak 1001 weight 0.10000E+01 volume 0.18065E-01 ppm1 0.898 ppm2 1.818 CV 1
OR { 1001}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 96 and name HG ))
ASSI { 1012}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HB# ))
2.200 0.600 0.600 peak 1012 weight 0.10000E+01 volume 0.81233E-02 ppm1 0.495 ppm2 1.317 CV 1
ASSI { 1015}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 32 and name HB# ))
3.000 1.100 1.100 peak 1015 weight 0.10000E+01 volume 0.14015E-02 ppm1 0.497 ppm2 1.831 CV 1
ASSI { 1016}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 30 and name HD# ))
3.000 1.200 1.200 peak 1016 weight 0.10000E+01 volume 0.11908E-02 ppm1 0.493 ppm2 2.670 CV 1
ASSI { 1020}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HA ))
2.100 0.600 0.600 peak 1020 weight 0.10000E+01 volume 0.10829E-01 ppm1 0.493 ppm2 4.872 CV 1
ASSI { 1021}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 32 and name HA ))
2.400 0.700 0.700 peak 1021 weight 0.10000E+01 volume 0.55943E-02 ppm1 0.497 ppm2 5.116 CV 1
ASSI { 1028}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 119 and name HG ))
2.000 0.500 0.500 peak 1028 weight 0.10000E+01 volume 0.14861E-01 ppm1 0.790 ppm2 1.452 CV 1
OR { 1028}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 119 and name HB# ))
ASSI { 1033}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 2 and name HB# ))
3.800 1.800 1.800 peak 1033 weight 0.10000E+01 volume 0.33821E-03 ppm1 0.786 ppm2 3.841 CV 1
ASSI { 1035}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 2 and name HA ))
3.500 1.600 1.600 peak 1035 weight 0.10000E+01 volume 0.49511E-03 ppm1 0.783 ppm2 4.484 CV 1
ASSI { 1036}
( segid " " and resid 119 and name HD# )
( segid " " and resid 117 and name HD% )
2.800 0.900 0.900 peak 1036 weight 0.10000E+01 volume 0.21841E-02 ppm1 0.786 ppm2 6.596 CV 1
OR { 1036}
( segid " " and resid 119 and name HD# )
( segid " " and resid 117 and name HE% )
ASSI { 1040}
(( segid " " and resid 48 and name HG# ))
(( segid " " and resid 48 and name HB# ))
2.300 0.700 0.700 peak 1040 weight 0.10000E+01 volume 0.57947E-02 ppm1 0.687 ppm2 1.639 CV 1
ASSI { 1044}
(( segid " " and resid 48 and name HG# ))
( segid " " and resid 51 and name HE% )
2.900 1.100 1.100 peak 1044 weight 0.10000E+01 volume 0.15787E-02 ppm1 0.678 ppm2 6.620 CV 1
ASSI { 1048}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HG ))
2.000 0.500 0.500 peak 1048 weight 0.10000E+01 volume 0.13671E-01 ppm1 0.850 ppm2 1.786 CV 1
OR { 1048}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HB# ))
ASSI { 1049}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 69 and name HD# ))
2.700 0.900 0.900 peak 1049 weight 0.10000E+01 volume 0.23245E-02 ppm1 0.846 ppm2 3.292 CV 1
ASSI { 1052}
( segid " " and resid 65 and name HD# )
( segid " " and resid 62 and name HE% )
2.700 0.900 0.900 peak 1052 weight 0.10000E+01 volume 0.23760E-02 ppm1 0.846 ppm2 6.493 CV 1
ASSI { 1053}
( segid " " and resid 65 and name HD# )
( segid " " and resid 51 and name HE% )
2.500 0.800 0.800 peak 1053 weight 0.10000E+01 volume 0.38017E-02 ppm1 0.842 ppm2 6.608 CV 1
ASSI { 1054}
( segid " " and resid 65 and name HD# )
( segid " " and resid 62 and name HD% )
2.900 1.100 1.100 peak 1054 weight 0.10000E+01 volume 0.14644E-02 ppm1 0.842 ppm2 6.871 CV 1
ASSI { 1061}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 50 and name HD# ))
2.200 0.600 0.600 peak 1061 weight 0.10000E+01 volume 0.86667E-02 ppm1 1.018 ppm2 1.631 CV 1
OR { 1061}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 50 and name HB# ))
ASSI { 1064}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 106 and name HZ ))
3.400 1.400 1.400 peak 1064 weight 0.10000E+01 volume 0.65951E-03 ppm1 1.027 ppm2 6.932 CV 1
ASSI { 1065}
(( segid " " and resid 50 and name HG# ))
( segid " " and resid 106 and name HE% )
3.300 1.400 1.400 peak 1065 weight 0.10000E+01 volume 0.70204E-03 ppm1 1.022 ppm2 7.195 CV 1
ASSI { 1067}
(( segid " " and resid 48 and name HG# ))
(( segid " " and resid 48 and name HD# ))
2.300 0.700 0.700 peak 1067 weight 0.10000E+01 volume 0.57534E-02 ppm1 1.147 ppm2 1.503 CV 1
ASSI { 1068}
(( segid " " and resid 48 and name HG# ))
(( segid " " and resid 48 and name HB# ))
2.100 0.600 0.600 peak 1068 weight 0.10000E+01 volume 0.98994E-02 ppm1 1.151 ppm2 1.644 CV 1
ASSI { 1071} {symcalib cd295}
(( segid " " and resid 48 and name HG# ))
(( segid " " and resid 48 and name HA ))
2.600 0.800 0.800 peak 1071 weight 0.10000E+01 volume 0.48690E-02 ppm1 1.147 ppm2 4.494 CV 1
ASSI { 1072}
(( segid " " and resid 48 and name HG# ))
( segid " " and resid 51 and name HE% )
3.100 1.200 1.200 peak 1072 weight 0.10000E+01 volume 0.10759E-02 ppm1 1.143 ppm2 6.628 CV 1
ASSI { 1078}
(( segid " " and resid 50 and name HG# ))
( segid " " and resid 106 and name HE% )
3.000 1.100 1.100 peak 1078 weight 0.10000E+01 volume 0.12311E-02 ppm1 1.207 ppm2 7.209 CV 1
ASSI { 1081}
(( segid " " and resid 4 and name HG# ))
(( segid " " and resid 4 and name HE# ))
2.800 1.000 1.000 peak 1081 weight 0.10000E+01 volume 0.20039E-02 ppm1 1.229 ppm2 2.919 CV 1
ASSI { 1084}
(( segid " " and resid 4 and name HG# ))
(( segid " " and resid 4 and name HD# ))
1.800 0.400 0.400 peak 1084 weight 0.10000E+01 volume 0.31603E-01 ppm1 1.410 ppm2 1.624 CV 1
ASSI { 1085}
(( segid " " and resid 4 and name HG# ))
(( segid " " and resid 4 and name HE# ))
2.700 0.900 0.900 peak 1085 weight 0.10000E+01 volume 0.22442E-02 ppm1 1.410 ppm2 2.925 CV 1
ASSI { 1087}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 68 and name HD# ))
2.000 0.500 0.500 peak 1087 weight 0.10000E+01 volume 0.15940E-01 ppm1 1.302 ppm2 1.586 CV 1
ASSI { 1088}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 68 and name HB# ))
2.100 0.500 0.500 peak 1088 weight 0.10000E+01 volume 0.11515E-01 ppm1 1.302 ppm2 1.746 CV 1
ASSI { 1089}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 68 and name HB# ))
2.100 0.500 0.500 peak 1089 weight 0.10000E+01 volume 0.11787E-01 ppm1 1.375 ppm2 1.753 CV 1
ASSI { 1090}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 68 and name HD# ))
1.900 0.500 0.500 peak 1090 weight 0.10000E+01 volume 0.18158E-01 ppm1 1.375 ppm2 1.580 CV 1
ASSI { 1098}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HG ))
1.700 0.400 0.500 peak 1098 weight 0.10000E+01 volume 0.41618E-01 ppm1 0.820 ppm2 1.120 CV 1
OR { 1098}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HB# ))
ASSI { 1100}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 66 and name HB ))
2.800 1.000 1.000 peak 1100 weight 0.10000E+01 volume 0.18171E-02 ppm1 0.824 ppm2 1.748 CV 1
ASSI { 1102}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 111 and name HB# ))
2.300 0.700 0.700 peak 1102 weight 0.10000E+01 volume 0.58579E-02 ppm1 0.816 ppm2 3.272 CV 1
ASSI { 1107}
( segid " " and resid 78 and name HD# )
( segid " " and resid 63 and name HE% )
3.200 1.300 1.300 peak 1107 weight 0.10000E+01 volume 0.84947E-03 ppm1 0.824 ppm2 6.126 CV 1
ASSI { 1108}
( segid " " and resid 78 and name HD# )
( segid " " and resid 63 and name HD% )
3.100 1.200 1.200 peak 1108 weight 0.10000E+01 volume 0.10582E-02 ppm1 0.820 ppm2 6.306 CV 1
ASSI { 1115}
( segid " " and resid 107 and name HD# )
( segid " " and resid 109 and name HD# )
2.900 1.100 1.100 peak 1115 weight 0.10000E+01 volume 0.14673E-02 ppm1 0.880 ppm2 0.319 CV 1
ASSI { 1117}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 109 and name HG1#))
2.000 0.500 0.500 peak 1117 weight 0.10000E+01 volume 0.13535E-01 ppm1 0.876 ppm2 1.350 CV 1
ASSI { 1118}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 96 and name HB# ))
3.600 1.700 1.700 peak 1118 weight 0.10000E+01 volume 0.41462E-03 ppm1 0.876 ppm2 1.620 CV 1
ASSI { 1119}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 96 and name HB# ))
3.000 1.200 1.200 peak 1119 weight 0.10000E+01 volume 0.12052E-02 ppm1 0.867 ppm2 1.837 CV 1
ASSI { 1120}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 107 and name HB# ))
2.500 0.800 0.800 peak 1120 weight 0.10000E+01 volume 0.34938E-02 ppm1 0.867 ppm2 2.068 CV 1
ASSI { 1122}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 100 and name HB# ))
2.300 0.600 0.600 peak 1122 weight 0.10000E+01 volume 0.69306E-02 ppm1 0.880 ppm2 2.792 CV 1
ASSI { 1123}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 100 and name HB# ))
2.300 0.700 0.700 peak 1123 weight 0.10000E+01 volume 0.66606E-02 ppm1 0.880 ppm2 3.067 CV 1
ASSI { 1126}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 107 and name HA ))
2.100 0.600 0.600 peak 1126 weight 0.10000E+01 volume 0.10204E-01 ppm1 0.876 ppm2 4.685 CV 1
ASSI { 1131}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 97 and name HN ))
3.100 1.200 1.200 peak 1131 weight 0.10000E+01 volume 0.11064E-02 ppm1 0.876 ppm2 9.004 CV 1
ASSI { 1135}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 26 and name HB# ))
2.100 0.600 0.600 peak 1135 weight 0.10000E+01 volume 0.10205E-01 ppm1 0.915 ppm2 1.464 CV 1
ASSI { 1138}
(( segid " " and resid 26 and name HG# ))
( segid " " and resid 27 and name HE% )
2.900 1.100 1.100 peak 1138 weight 0.10000E+01 volume 0.14663E-02 ppm1 0.919 ppm2 6.748 CV 1
ASSI { 1141}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 26 and name HD# ))
2.200 0.600 0.600 peak 1141 weight 0.10000E+01 volume 0.92131E-02 ppm1 0.519 ppm2 1.427 CV 1
ASSI { 1145}
(( segid " " and resid 26 and name HG# ))
( segid " " and resid 27 and name HE% )
2.800 1.000 1.000 peak 1145 weight 0.10000E+01 volume 0.19515E-02 ppm1 0.519 ppm2 6.732 CV 1
ASSI { 1146}
(( segid " " and resid 26 and name HG# ))
( segid " " and resid 27 and name HD% )
2.900 1.100 1.100 peak 1146 weight 0.10000E+01 volume 0.15771E-02 ppm1 0.519 ppm2 7.161 CV 1
ASSI { 1147}
( segid " " and resid 52 and name HD# )
( segid " " and resid 27 and name HD% )
2.400 0.700 0.700 peak 1147 weight 0.10000E+01 volume 0.44596E-02 ppm1 0.441 ppm2 7.166 CV 1
ASSI { 1152}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 30 and name HD# ))
2.800 0.900 0.900 peak 1152 weight 0.10000E+01 volume 0.21774E-02 ppm1 0.437 ppm2 2.657 CV 1
ASSI { 1154}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 23 and name HG1#))
2.900 1.100 1.100 peak 1154 weight 0.10000E+01 volume 0.14545E-02 ppm1 0.443 ppm2 1.824 CV 1
OR { 1154}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 23 and name HB ))
ASSI { 1156}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 30 and name HB# ))
2.400 0.700 0.700 peak 1156 weight 0.10000E+01 volume 0.55221E-02 ppm1 0.441 ppm2 1.408 CV 1
OR { 1156}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 30 and name HG# ))
ASSI { 1159}
( segid " " and resid 52 and name HD# )
( segid " " and resid 23 and name HG# )
2.100 0.500 0.500 peak 1159 weight 0.10000E+01 volume 0.11391E-01 ppm1 0.442 ppm2 0.864 CV 1
ASSI { 1161}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 96 and name HG ))
3.000 3.000 3.000 peak 1161 weight 0.10000E+01 volume 0.87984E-02 ppm1 0.966 ppm2 1.812 CV 1
ASSI { 1163}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 87 and name HB# ))
2.400 0.700 0.700 peak 1163 weight 0.10000E+01 volume 0.46040E-02 ppm1 0.962 ppm2 2.145 CV 1
OR { 1163}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 87 and name HG# ))
ASSI { 1171}
( segid " " and resid 59 and name HG# )
( segid " " and resid 80 and name HD% )
2.900 1.100 1.100 peak 1171 weight 0.10000E+01 volume 0.16050E-02 ppm1 0.958 ppm2 6.831 CV 1
ASSI { 1173}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 119 and name HG ))
2.000 0.500 0.500 peak 1173 weight 0.10000E+01 volume 0.15579E-01 ppm1 0.816 ppm2 1.458 CV 1
ASSI { 1179}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 61 and name HB# ))
2.200 0.600 0.600 peak 1179 weight 0.10000E+01 volume 0.77969E-02 ppm1 1.001 ppm2 2.515 CV 1
ASSI { 1184}
( segid " " and resid 46 and name HD# )
( segid " " and resid 111 and name HD% )
2.800 1.000 1.000 peak 1184 weight 0.10000E+01 volume 0.19210E-02 ppm1 0.979 ppm2 6.820 CV 1
ASSI { 1188}
( segid " " and resid 46 and name HD# )
( segid " " and resid 51 and name HD% )
3.800 1.800 1.800 peak 1188 weight 0.10000E+01 volume 0.30412E-03 ppm1 0.975 ppm2 7.070 CV 1
ASSI { 1191}
( segid " " and resid 46 and name HD# )
(( segid " " and resid 46 and name HA ))
2.500 0.800 0.800 peak 1191 weight 0.10000E+01 volume 0.43383E-02 ppm1 0.975 ppm2 4.421 CV 1
ASSI { 1209}
( segid " " and resid 65 and name HD# )
( segid " " and resid 51 and name HD% )
3.200 1.300 1.300 peak 1209 weight 0.10000E+01 volume 0.91534E-03 ppm1 1.018 ppm2 7.030 CV 1
ASSI { 1210}
( segid " " and resid 65 and name HD# )
( segid " " and resid 62 and name HD% )
2.400 0.700 0.700 peak 1210 weight 0.10000E+01 volume 0.48954E-02 ppm1 1.018 ppm2 6.902 CV 1
ASSI { 1212}
( segid " " and resid 65 and name HD# )
( segid " " and resid 62 and name HE% )
2.700 0.900 0.900 peak 1212 weight 0.10000E+01 volume 0.23793E-02 ppm1 1.010 ppm2 6.517 CV 1
ASSI { 1217}
( segid " " and resid 65 and name HD# )
( segid " " and resid 66 and name HD# )
3.300 1.300 1.300 peak 1217 weight 0.10000E+01 volume 0.79189E-03 ppm1 1.011 ppm2 -0.124 CV 1
ASSI { 1218}
(( segid " " and resid 25 and name HG# ))
(( segid " " and resid 25 and name HE# ))
2.500 0.800 0.800 peak 1218 weight 0.10000E+01 volume 0.37403E-02 ppm1 1.447 ppm2 2.873 CV 1
ASSI { 1221}
(( segid " " and resid 25 and name HG# ))
(( segid " " and resid 25 and name HB# ))
2.000 0.500 0.500 peak 1221 weight 0.10000E+01 volume 0.13865E-01 ppm1 1.448 ppm2 1.753 CV 1
ASSI { 1223}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HB# ))
2.200 0.600 0.600 peak 1223 weight 0.10000E+01 volume 0.92978E-02 ppm1 1.504 ppm2 2.017 CV 1
ASSI { 1224}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 12 and name HB# ))
2.600 0.900 0.900 peak 1224 weight 0.10000E+01 volume 0.29998E-02 ppm1 1.504 ppm2 2.113 CV 1
ASSI { 1225}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HE# ))
2.600 0.900 0.900 peak 1225 weight 0.10000E+01 volume 0.30014E-02 ppm1 1.500 ppm2 3.035 CV 1
ASSI { 1228}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HE# ))
2.700 0.900 0.900 peak 1228 weight 0.10000E+01 volume 0.26751E-02 ppm1 1.586 ppm2 3.029 CV 1
ASSI { 1230}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 49 and name HB# ))
2.400 0.700 0.700 peak 1230 weight 0.10000E+01 volume 0.49383E-02 ppm1 1.595 ppm2 2.145 CV 1
ASSI { 1231}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HD# ))
1.800 0.400 0.400 peak 1231 weight 0.10000E+01 volume 0.31832E-01 ppm1 1.586 ppm2 1.760 CV 1
ASSI { 1232}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 49 and name HA ))
2.900 1.000 1.000 peak 1232 weight 0.10000E+01 volume 0.17629E-02 ppm1 1.595 ppm2 5.034 CV 1
ASSI { 1235}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 49 and name HE# ))
2.800 1.000 1.000 peak 1235 weight 0.10000E+01 volume 0.19355E-02 ppm1 1.603 ppm2 3.228 CV 1
ASSI { 1238}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 49 and name HD# ))
2.200 0.600 0.600 peak 1238 weight 0.10000E+01 volume 0.74754E-02 ppm1 1.745 ppm2 1.990 CV 1
ASSI { 1242}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HE# ))
2.700 0.900 0.900 peak 1242 weight 0.10000E+01 volume 0.26954E-02 ppm1 1.651 ppm2 2.931 CV 1
ASSI { 1258}
(( segid " " and resid 34 and name HG1#))
( segid " " and resid 106 and name HD% )
3.000 1.100 1.100 peak 1258 weight 0.10000E+01 volume 0.12770E-02 ppm1 0.110 ppm2 6.868 CV 1
ASSI { 1261}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HB# ))
2.200 0.600 0.600 peak 1261 weight 0.10000E+01 volume 0.85989E-02 ppm1 1.358 ppm2 1.932 CV 1
ASSI { 1262}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HE# ))
2.500 0.800 0.800 peak 1262 weight 0.10000E+01 volume 0.35193E-02 ppm1 1.362 ppm2 2.931 CV 1
ASSI { 1267}
(( segid " " and resid 24 and name HG# ))
(( segid " " and resid 105 and name HB# ))
3.100 1.200 1.200 peak 1267 weight 0.10000E+01 volume 0.10574E-02 ppm1 1.620 ppm2 3.447 CV 1
ASSI { 1268}
(( segid " " and resid 24 and name HG# ))
(( segid " " and resid 24 and name HA ))
2.400 0.700 0.700 peak 1268 weight 0.10000E+01 volume 0.46760E-02 ppm1 1.620 ppm2 4.023 CV 1
ASSI { 1269}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 23 and name HD# )
2.600 0.800 0.800 peak 1269 weight 0.10000E+01 volume 0.33989E-02 ppm1 1.427 ppm2 0.862 CV 1
OR { 1269}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 23 and name HG# )
ASSI { 1274}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 31 and name HA ))
3.300 1.300 1.300 peak 1274 weight 0.10000E+01 volume 0.78497E-03 ppm1 1.431 ppm2 4.142 CV 1
ASSI { 1281}
(( segid " " and resid 66 and name HG1#))
(( segid " " and resid 66 and name HB ))
2.400 0.700 0.700 peak 1281 weight 0.10000E+01 volume 0.46868E-02 ppm1 0.695 ppm2 1.793 CV 1
ASSI { 1285}
(( segid " " and resid 66 and name HG1#))
(( segid " " and resid 63 and name HA ))
3.300 1.400 1.400 peak 1285 weight 0.10000E+01 volume 0.69914E-03 ppm1 0.695 ppm2 3.932 CV 1
ASSI { 1291}
(( segid " " and resid 66 and name HG1#))
( segid " " and resid 62 and name HD% )
3.300 1.300 1.300 peak 1291 weight 0.10000E+01 volume 0.78482E-03 ppm1 0.704 ppm2 6.916 CV 1
ASSI { 1296}
( segid " " and resid 72 and name HD# )
( segid " " and resid 70 and name HD# )
2.000 0.500 0.500 peak 1296 weight 0.10000E+01 volume 0.14545E-01 ppm1 0.846 ppm2 0.442 CV 1
ASSI { 1298}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HB# ))
2.100 0.500 0.500 peak 1298 weight 0.10000E+01 volume 0.11416E-01 ppm1 0.846 ppm2 1.365 CV 1
ASSI { 1300}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 76 and name HB# ))
2.400 0.700 0.700 peak 1300 weight 0.10000E+01 volume 0.53381E-02 ppm1 0.846 ppm2 2.800 CV 1
ASSI { 1304}
( segid " " and resid 72 and name HD# )
( segid " " and resid 111 and name HE% )
3.200 1.300 1.300 peak 1304 weight 0.10000E+01 volume 0.81170E-03 ppm1 0.846 ppm2 6.653 CV 1
ASSI { 1306}
(( segid " " and resid 107 and name HG ))
( segid " " and resid 31 and name HG# )
3.200 1.300 1.300 peak 1306 weight 0.10000E+01 volume 0.63535E-02 ppm1 0.751 ppm2 0.388 CV 1
ASSI { 1307}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 107 and name HB# ))
2.100 0.500 0.500 peak 1307 weight 0.10000E+01 volume 0.11681E-01 ppm1 0.759 ppm2 1.388 CV 1
ASSI { 1316}
(( segid " " and resid 107 and name HG ))
( segid " " and resid 97 and name HD% )
2.600 0.800 0.800 peak 1316 weight 0.10000E+01 volume 0.33931E-02 ppm1 0.756 ppm2 6.961 CV 1
ASSI { 1319}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 93 and name HB# ))
3.400 1.500 1.500 peak 1319 weight 0.10000E+01 volume 0.58726E-03 ppm1 0.898 ppm2 1.363 CV 1
ASSI { 1333}
( segid " " and resid 57 and name HD# )
( segid " " and resid 62 and name HE% )
3.300 1.300 1.300 peak 1333 weight 0.10000E+01 volume 0.78317E-03 ppm1 0.906 ppm2 6.499 CV 1
ASSI { 1342}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 87 and name HD# ))
2.500 0.800 0.800 peak 1342 weight 0.10000E+01 volume 0.41254E-02 ppm1 1.750 ppm2 3.944 CV 1
ASSI { 1343}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 87 and name HD# ))
2.300 0.700 0.700 peak 1343 weight 0.10000E+01 volume 0.60096E-02 ppm1 1.750 ppm2 4.104 CV 1
ASSI { 1344}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 87 and name HA ))
3.200 1.300 1.300 peak 1344 weight 0.10000E+01 volume 0.83575E-03 ppm1 1.750 ppm2 4.848 CV 1
ASSI { 1347}
(( segid " " and resid 87 and name HG# ))
( segid " " and resid 80 and name HD% )
3.200 1.300 1.300 peak 1347 weight 0.10000E+01 volume 0.81253E-03 ppm1 1.754 ppm2 6.786 CV 1
ASSI { 1349}
(( segid " " and resid 43 and name HG1#))
( segid " " and resid 43 and name HD# )
2.100 0.600 0.600 peak 1349 weight 0.10000E+01 volume 0.10684E-01 ppm1 1.763 ppm2 1.125 CV 1
ASSI { 1351}
(( segid " " and resid 73 and name HG# ))
(( segid " " and resid 73 and name HB# ))
1.900 0.400 0.400 peak 1351 weight 0.10000E+01 volume 0.22909E-01 ppm1 1.767 ppm2 2.105 CV 1
ASSI { 1355}
(( segid " " and resid 43 and name HG1#))
( segid " " and resid 111 and name HE% )
2.800 1.000 1.000 peak 1355 weight 0.10000E+01 volume 0.19055E-02 ppm1 1.776 ppm2 6.652 CV 1
ASSI { 1357}
(( segid " " and resid 17 and name HG# ))
( segid " " and resid 105 and name HE% )
2.700 0.900 0.900 peak 1357 weight 0.10000E+01 volume 0.22549E-02 ppm1 1.741 ppm2 7.320 CV 1
ASSI { 1359}
(( segid " " and resid 17 and name HG# ))
( segid " " and resid 105 and name HD% )
2.900 1.000 1.000 peak 1359 weight 0.10000E+01 volume 0.16388E-02 ppm1 1.823 ppm2 7.095 CV 1
ASSI { 1384}
(( segid " " and resid 101 and name HB# ))
( segid " " and resid 97 and name HD% )
2.700 0.900 0.900 peak 1384 weight 0.10000E+01 volume 0.24892E-02 ppm1 2.262 ppm2 6.953 CV 1
ASSI { 1389}
(( segid " " and resid 87 and name HG# ))
( segid " " and resid 59 and name HG# )
2.200 0.600 0.600 peak 1389 weight 0.10000E+01 volume 0.75136E-02 ppm1 2.141 ppm2 0.872 CV 1
ASSI { 1390}
(( segid " " and resid 87 and name HG# ))
( segid " " and resid 82 and name HG# )
3.700 1.700 1.700 peak 1390 weight 0.10000E+01 volume 0.35753E-03 ppm1 2.137 ppm2 0.628 CV 1
ASSI { 1407}
(( segid " " and resid 52 and name HG ))
(( segid " " and resid 52 and name HB# ))
2.100 0.600 0.600 peak 1407 weight 0.10000E+01 volume 0.11057E-01 ppm1 1.071 ppm2 1.321 CV 1
ASSI { 1413}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HG ))
1.700 0.400 0.500 peak 1413 weight 0.10000E+01 volume 0.35938E-01 ppm1 0.459 ppm2 1.105 CV 1
OR { 1413}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HB# ))
ASSI { 1414}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 70 and name HG1#))
2.900 1.100 1.100 peak 1414 weight 0.10000E+01 volume 0.16000E-02 ppm1 0.459 ppm2 1.339 CV 1
ASSI { 1420}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 67 and name HA ))
2.700 0.900 0.900 peak 1420 weight 0.10000E+01 volume 0.25403E-02 ppm1 0.459 ppm2 3.405 CV 1
ASSI { 1424}
( segid " " and resid 78 and name HD# )
( segid " " and resid 63 and name HE% )
2.600 0.800 0.800 peak 1424 weight 0.10000E+01 volume 0.31444E-02 ppm1 0.459 ppm2 6.122 CV 1
ASSI { 1427}
( segid " " and resid 78 and name HD# )
( segid " " and resid 80 and name HE% )
2.700 0.900 0.900 peak 1427 weight 0.10000E+01 volume 0.24971E-02 ppm1 0.459 ppm2 6.641 CV 1
ASSI { 1429}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 79 and name HN ))
3.000 1.100 1.100 peak 1429 weight 0.10000E+01 volume 0.12273E-02 ppm1 0.459 ppm2 9.152 CV 1
ASSI { 1440}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 27 and name HA ))
3.600 1.600 1.600 peak 1440 weight 0.10000E+01 volume 0.43381E-03 ppm1 1.430 ppm2 5.103 CV 1
ASSI { 1441}
(( segid " " and resid 30 and name HG# ))
( segid " " and resid 27 and name HD% )
3.000 1.100 1.100 peak 1441 weight 0.10000E+01 volume 0.14123E-02 ppm1 1.437 ppm2 7.177 CV 1
ASSI { 1458}
(( segid " " and resid 43 and name HG1#))
( segid " " and resid 111 and name HE% )
2.700 0.900 0.900 peak 1458 weight 0.10000E+01 volume 0.27357E-02 ppm1 1.453 ppm2 6.652 CV 1
ASSI { 1465}
(( segid " " and resid 42 and name HG# ))
(( segid " " and resid 42 and name HA ))
2.100 0.600 0.600 peak 1465 weight 0.10000E+01 volume 0.10045E-01 ppm1 1.707 ppm2 4.475 CV 1
ASSI { 1467}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 28 and name HB# ))
2.100 0.500 0.500 peak 1467 weight 0.10000E+01 volume 0.12402E-01 ppm1 1.943 ppm2 2.318 CV 1
ASSI { 1470}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 28 and name HD# ))
2.200 0.600 0.600 peak 1470 weight 0.10000E+01 volume 0.89280E-02 ppm1 1.943 ppm2 3.618 CV 1
ASSI { 1473}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 28 and name HA ))
2.600 0.800 0.800 peak 1473 weight 0.10000E+01 volume 0.32411E-02 ppm1 1.939 ppm2 4.445 CV 1
ASSI { 1474}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 1474 weight 0.10000E+01 volume 0.20237E-02 ppm1 1.926 ppm2 5.081 CV 1
ASSI { 1486}
(( segid " " and resid 86 and name HG1#))
( segid " " and resid 81 and name HD% )
2.800 1.000 1.000 peak 1486 weight 0.10000E+01 volume 0.18051E-02 ppm1 0.799 ppm2 6.919 CV 1
ASSI { 1490}
(( segid " " and resid 88 and name HG# ))
( segid " " and resid 96 and name HD# )
2.900 1.100 1.100 peak 1490 weight 0.10000E+01 volume 0.14888E-02 ppm1 2.189 ppm2 0.923 CV 1
ASSI { 1493}
(( segid " " and resid 88 and name HG# ))
(( segid " " and resid 88 and name HD# ))
2.100 0.600 0.600 peak 1493 weight 0.10000E+01 volume 0.96621E-02 ppm1 2.189 ppm2 3.575 CV 1
ASSI { 1495}
(( segid " " and resid 88 and name HG# ))
(( segid " " and resid 88 and name HA ))
2.400 0.700 0.700 peak 1495 weight 0.10000E+01 volume 0.46347E-02 ppm1 2.189 ppm2 4.728 CV 1
ASSI { 1496}
(( segid " " and resid 88 and name HG# ))
(( segid " " and resid 87 and name HA ))
2.700 0.900 0.900 peak 1496 weight 0.10000E+01 volume 0.28661E-02 ppm1 2.189 ppm2 4.844 CV 1
ASSI { 1499}
(( segid " " and resid 12 and name HG# ))
(( segid " " and resid 12 and name HB# ))
2.100 0.500 0.500 peak 1499 weight 0.10000E+01 volume 0.12300E-01 ppm1 2.145 ppm2 2.587 CV 1
ASSI { 1500}
(( segid " " and resid 12 and name HG# ))
(( segid " " and resid 12 and name HD# ))
2.200 0.600 0.600 peak 1500 weight 0.10000E+01 volume 0.85911E-02 ppm1 2.151 ppm2 3.716 CV 1
ASSI { 1502}
(( segid " " and resid 12 and name HG# ))
(( segid " " and resid 12 and name HA ))
2.600 0.800 0.800 peak 1502 weight 0.10000E+01 volume 0.34346E-02 ppm1 2.141 ppm2 4.598 CV 1
ASSI { 1503}
(( segid " " and resid 12 and name HG# ))
(( segid " " and resid 11 and name HA ))
2.800 1.000 1.000 peak 1503 weight 0.10000E+01 volume 0.20462E-02 ppm1 2.150 ppm2 5.034 CV 1
ASSI { 1510}
(( segid " " and resid 86 and name HG1#))
( segid " " and resid 81 and name HD% )
3.000 1.100 1.100 peak 1510 weight 0.10000E+01 volume 0.13969E-02 ppm1 1.535 ppm2 6.905 CV 1
ASSI { 1511}
(( segid " " and resid 86 and name HG1#))
( segid " " and resid 81 and name HE% )
2.800 1.000 1.000 peak 1511 weight 0.10000E+01 volume 0.17991E-02 ppm1 1.530 ppm2 7.167 CV 1
ASSI { 1515}
(( segid " " and resid 39 and name HG# ))
( segid " " and resid 38 and name HB% )
3.000 1.100 1.100 peak 1515 weight 0.10000E+01 volume 0.13525E-02 ppm1 1.986 ppm2 1.210 CV 1
ASSI { 1525}
(( segid " " and resid 39 and name HG# ))
( segid " " and resid 117 and name HE% )
3.200 1.300 1.300 peak 1525 weight 0.10000E+01 volume 0.87676E-03 ppm1 1.986 ppm2 6.607 CV 1
ASSI { 1526}
(( segid " " and resid 39 and name HG# ))
( segid " " and resid 117 and name HE% )
3.400 1.400 1.400 peak 1526 weight 0.10000E+01 volume 0.63284E-03 ppm1 2.038 ppm2 6.620 CV 1
ASSI { 1543}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 24 and name HA ))
2.200 0.600 0.600 peak 1543 weight 0.10000E+01 volume 0.96526E-02 ppm1 1.694 ppm2 4.011 CV 1
ASSI { 1545}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 24 and name HD# ))
2.600 0.800 0.800 peak 1545 weight 0.10000E+01 volume 0.30609E-02 ppm1 1.620 ppm2 3.220 CV 1
ASSI { 1548}
(( segid " " and resid 93 and name HB# ))
( segid " " and resid 31 and name HG# )
2.600 0.800 0.800 peak 1548 weight 0.10000E+01 volume 0.34423E-02 ppm1 1.405 ppm2 0.394 CV 1
ASSI { 1549}
(( segid " " and resid 93 and name HB# ))
( segid " " and resid 31 and name HG# )
2.700 0.900 0.900 peak 1549 weight 0.10000E+01 volume 0.26463E-02 ppm1 1.969 ppm2 0.388 CV 1
ASSI { 1550}
(( segid " " and resid 93 and name HB# ))
( segid " " and resid 33 and name HG# )
2.900 1.100 1.100 peak 1550 weight 0.10000E+01 volume 0.15909E-02 ppm1 1.969 ppm2 0.567 CV 1
ASSI { 1567}
(( segid " " and resid 40 and name HD# ))
( segid " " and resid 119 and name HD# )
2.800 1.000 1.000 peak 1567 weight 0.10000E+01 volume 0.21168E-02 ppm1 1.580 ppm2 0.817 CV 1
ASSI { 1581}
(( segid " " and resid 17 and name HB# ))
( segid " " and resid 13 and name HD% )
3.100 1.200 1.200 peak 1581 weight 0.10000E+01 volume 0.10047E-02 ppm1 0.906 ppm2 7.313 CV 1
ASSI { 1582}
(( segid " " and resid 4 and name HD# ))
(( segid " " and resid 4 and name HG# ))
2.000 0.500 0.500 peak 1582 weight 0.10000E+01 volume 0.13061E-01 ppm1 1.629 ppm2 1.250 CV 1
ASSI { 1584}
(( segid " " and resid 4 and name HD# ))
(( segid " " and resid 4 and name HA ))
2.600 0.800 0.800 peak 1584 weight 0.10000E+01 volume 0.34579E-02 ppm1 1.629 ppm2 4.542 CV 1
ASSI { 1587}
(( segid " " and resid 14 and name HB# ))
(( segid " " and resid 14 and name HA ))
2.100 0.500 0.500 peak 1587 weight 0.10000E+01 volume 0.12392E-01 ppm1 2.101 ppm2 3.756 CV 1
ASSI { 1593}
(( segid " " and resid 15 and name HD# ))
(( segid " " and resid 14 and name HG# ))
4.000 2.000 2.000 peak 1593 weight 0.10000E+01 volume 0.23519E-03 ppm1 1.776 ppm2 2.499 CV 1
ASSI { 1596}
(( segid " " and resid 15 and name HD# ))
(( segid " " and resid 12 and name HD# ))
2.600 0.900 0.900 peak 1596 weight 0.10000E+01 volume 0.30306E-02 ppm1 1.776 ppm2 3.716 CV 1
ASSI { 1597}
(( segid " " and resid 15 and name HD# ))
(( segid " " and resid 12 and name HD# ))
3.900 1.900 1.900 peak 1597 weight 0.10000E+01 volume 0.26270E-03 ppm1 1.776 ppm2 3.913 CV 1
ASSI { 1600}
(( segid " " and resid 15 and name HD# ))
(( segid " " and resid 11 and name HA ))
3.100 1.200 1.200 peak 1600 weight 0.10000E+01 volume 0.11281E-02 ppm1 1.776 ppm2 5.042 CV 1
ASSI { 1601}
(( segid " " and resid 48 and name HD# ))
( segid " " and resid 51 and name HE% )
2.700 0.900 0.900 peak 1601 weight 0.10000E+01 volume 0.23305E-02 ppm1 1.496 ppm2 6.620 CV 1
ASSI { 1616}
(( segid " " and resid 26 and name HD# ))
(( segid " " and resid 26 and name HE# ))
2.200 0.600 0.600 peak 1616 weight 0.10000E+01 volume 0.74131E-02 ppm1 1.380 ppm2 2.790 CV 1
ASSI { 1617}
(( segid " " and resid 26 and name HD# ))
(( segid " " and resid 26 and name HE# ))
2.200 0.600 0.600 peak 1617 weight 0.10000E+01 volume 0.79468E-02 ppm1 1.453 ppm2 2.778 CV 1
ASSI { 1620}
(( segid " " and resid 26 and name HD# ))
( segid " " and resid 27 and name HE% )
2.600 0.900 0.900 peak 1620 weight 0.10000E+01 volume 0.28682E-02 ppm1 1.393 ppm2 6.729 CV 1
ASSI { 1621}
(( segid " " and resid 26 and name HD# ))
( segid " " and resid 27 and name HE% )
2.600 0.800 0.800 peak 1621 weight 0.10000E+01 volume 0.32065E-02 ppm1 1.448 ppm2 6.735 CV 1
ASSI { 1623}
(( segid " " and resid 26 and name HD# ))
( segid " " and resid 27 and name HD% )
3.100 1.200 1.200 peak 1623 weight 0.10000E+01 volume 0.11196E-02 ppm1 1.397 ppm2 7.177 CV 1
ASSI { 1625}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 37 and name HE# ))
2.100 0.500 0.500 peak 1625 weight 0.10000E+01 volume 0.12319E-01 ppm1 1.655 ppm2 2.990 CV 1
ASSI { 1626}
(( segid " " and resid 22 and name HD# ))
(( segid " " and resid 22 and name HB# ))
2.100 0.600 0.600 peak 1626 weight 0.10000E+01 volume 0.99740E-02 ppm1 1.680 ppm2 1.930 CV 1
ASSI { 1627}
(( segid " " and resid 22 and name HD# ))
(( segid " " and resid 22 and name HA ))
2.800 1.000 1.000 peak 1627 weight 0.10000E+01 volume 0.20032E-02 ppm1 1.679 ppm2 3.864 CV 1
ASSI { 1631}
(( segid " " and resid 37 and name HD# ))
( segid " " and resid 111 and name HE% )
3.000 1.100 1.100 peak 1631 weight 0.10000E+01 volume 0.13131E-02 ppm1 1.675 ppm2 6.646 CV 1
ASSI { 1641}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 37 and name HE# ))
2.300 0.700 0.700 peak 1641 weight 0.10000E+01 volume 0.63828E-02 ppm1 1.500 ppm2 3.002 CV 1
ASSI { 1643}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 52 and name HD# )
2.500 0.800 0.800 peak 1643 weight 0.10000E+01 volume 0.43758E-02 ppm1 1.193 ppm2 0.462 CV 1
ASSI { 1644}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 23 and name HD# )
1.900 0.500 0.500 peak 1644 weight 0.10000E+01 volume 0.20089E-01 ppm1 1.212 ppm2 0.868 CV 1
ASSI { 1648}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 27 and name HD% )
3.200 1.200 1.200 peak 1648 weight 0.20000E+01 volume 0.95780E-03 ppm1 1.207 ppm2 7.151 CV 1
ASSI { 1651}
(( segid " " and resid 67 and name HG# ))
(( segid " " and resid 67 and name HB# ))
2.000 0.500 0.500 peak 1651 weight 0.10000E+01 volume 0.13419E-01 ppm1 1.182 ppm2 1.599 CV 1
ASSI { 1654}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 23 and name HD# )
2.000 0.500 0.500 peak 1654 weight 0.10000E+01 volume 0.17171E-01 ppm1 1.823 ppm2 0.875 CV 1
ASSI { 1658}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 27 and name HD% )
3.000 1.100 1.100 peak 1658 weight 0.10000E+01 volume 0.12651E-02 ppm1 1.817 ppm2 7.152 CV 1
ASSI { 1671}
(( segid " " and resid 49 and name HD# ))
(( segid " " and resid 36 and name HG# ))
2.600 0.800 0.800 peak 1671 weight 0.10000E+01 volume 0.31675E-02 ppm1 2.021 ppm2 2.605 CV 1
ASSI { 1673}
(( segid " " and resid 49 and name HD# ))
(( segid " " and resid 7 and name HB# ))
2.900 1.100 1.100 peak 1673 weight 0.10000E+01 volume 0.15905E-02 ppm1 2.025 ppm2 3.508 CV 1
ASSI { 1674}
(( segid " " and resid 49 and name HD# ))
(( segid " " and resid 36 and name HA ))
3.100 1.200 1.200 peak 1674 weight 0.10000E+01 volume 0.99673E-03 ppm1 2.022 ppm2 4.971 CV 1
ASSI { 1678}
(( segid " " and resid 67 and name HG# ))
(( segid " " and resid 67 and name HD# ))
2.400 0.700 0.700 peak 1678 weight 0.10000E+01 volume 0.50132E-02 ppm1 1.177 ppm2 2.805 CV 1
ASSI { 1688}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HD# ))
2.500 0.800 0.800 peak 1688 weight 0.10000E+01 volume 0.43821E-02 ppm1 1.935 ppm2 3.292 CV 1
ASSI { 1689}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 66 and name HA ))
2.900 1.000 1.000 peak 1689 weight 0.10000E+01 volume 0.16313E-02 ppm1 1.930 ppm2 3.420 CV 1
ASSI { 1690}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 66 and name HA ))
2.700 0.900 0.900 peak 1690 weight 0.10000E+01 volume 0.23715E-02 ppm1 1.836 ppm2 3.420 CV 1
ASSI { 1691}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HD# ))
2.400 0.700 0.700 peak 1691 weight 0.10000E+01 volume 0.45632E-02 ppm1 1.836 ppm2 3.285 CV 1
ASSI { 1696}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 49 and name HD# ))
2.400 0.700 0.700 peak 1696 weight 0.10000E+01 volume 0.49046E-02 ppm1 1.565 ppm2 2.037 CV 1
ASSI { 1697}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 49 and name HD# ))
2.400 0.700 0.700 peak 1697 weight 0.10000E+01 volume 0.50328E-02 ppm1 1.436 ppm2 2.034 CV 1
ASSI { 1702}
(( segid " " and resid 8 and name HB# ))
( segid " " and resid 5 and name HD% )
3.100 1.200 1.200 peak 1702 weight 0.10000E+01 volume 0.11844E-02 ppm1 1.552 ppm2 7.222 CV 1
ASSI { 1703}
(( segid " " and resid 8 and name HB# ))
( segid " " and resid 5 and name HD% )
3.200 1.300 1.300 peak 1703 weight 0.10000E+01 volume 0.85937E-03 ppm1 1.431 ppm2 7.222 CV 1
ASSI { 1719}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 73 and name HD# ))
2.500 0.800 0.800 peak 1719 weight 0.10000E+01 volume 0.40176E-02 ppm1 1.664 ppm2 3.261 CV 1
ASSI { 1732}
(( segid " " and resid 32 and name HB# ))
( segid " " and resid 23 and name HD# )
2.600 0.900 0.900 peak 1732 weight 0.10000E+01 volume 0.27557E-02 ppm1 1.870 ppm2 0.875 CV 1
ASSI { 1733}
(( segid " " and resid 32 and name HB# ))
( segid " " and resid 23 and name HD# )
2.500 0.800 0.800 peak 1733 weight 0.10000E+01 volume 0.40103E-02 ppm1 1.590 ppm2 0.875 CV 1
OR { 1733}
(( segid " " and resid 32 and name HB# ))
( segid " " and resid 23 and name HG# )
ASSI { 1738}
(( segid " " and resid 32 and name HB# ))
(( segid " " and resid 32 and name HD# ))
3.100 1.200 1.200 peak 1738 weight 0.10000E+01 volume 0.98458E-03 ppm1 1.879 ppm2 3.357 CV 1
ASSI { 1742}
(( segid " " and resid 32 and name HB# ))
( segid " " and resid 106 and name HE% )
2.900 1.000 1.000 peak 1742 weight 0.10000E+01 volume 0.17706E-02 ppm1 1.870 ppm2 7.211 CV 1
ASSI { 1746}
(( segid " " and resid 40 and name HB# ))
(( segid " " and resid 40 and name HG# ))
2.200 0.600 0.600 peak 1746 weight 0.10000E+01 volume 0.93523E-02 ppm1 1.806 ppm2 1.285 CV 1
ASSI { 1747}
(( segid " " and resid 40 and name HB# ))
(( segid " " and resid 40 and name HG# ))
2.200 0.600 0.600 peak 1747 weight 0.10000E+01 volume 0.96038E-02 ppm1 1.857 ppm2 1.291 CV 1
ASSI { 1757}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 117 and name HE% )
3.300 1.300 1.300 peak 1757 weight 0.10000E+01 volume 0.80471E-03 ppm1 1.737 ppm2 6.581 CV 1
ASSI { 1758}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 5 and name HZ ))
3.800 1.800 1.800 peak 1758 weight 0.10000E+01 volume 0.33155E-03 ppm1 1.740 ppm2 7.219 CV 1
OR { 1758}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 5 and name HD% )
ASSI { 1759}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 5 and name HE% )
3.000 1.100 1.100 peak 1759 weight 0.10000E+01 volume 0.14010E-02 ppm1 1.741 ppm2 7.420 CV 1
ASSI { 1762}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 25 and name HD# ))
2.000 0.500 0.500 peak 1762 weight 0.10000E+01 volume 0.14048E-01 ppm1 1.754 ppm2 1.557 CV 1
ASSI { 1764}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 22 and name HA ))
2.100 0.500 0.500 peak 1764 weight 0.10000E+01 volume 0.11365E-01 ppm1 1.754 ppm2 3.880 CV 1
ASSI { 1765}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 25 and name HA ))
2.000 0.500 0.500 peak 1765 weight 0.10000E+01 volume 0.27481E-01 ppm1 1.753 ppm2 3.961 CV 1
ASSI { 1766} {recalib c 2182}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 40 and name HG# ))
3.300 1.300 1.300 peak 1766 weight 0.10000E+01 volume 0.35191E-02 ppm1 1.823 ppm2 1.311 CV 1
ASSI { 1773}
(( segid " " and resid 39 and name HB# ))
( segid " " and resid 117 and name HE% )
3.300 1.400 1.400 peak 1773 weight 0.10000E+01 volume 0.68161E-03 ppm1 1.814 ppm2 6.580 CV 1
ASSI { 1782}
(( segid " " and resid 87 and name HB# ))
( segid " " and resid 96 and name HD# )
2.200 0.600 0.600 peak 1782 weight 0.10000E+01 volume 0.85240E-02 ppm1 1.999 ppm2 0.902 CV 1
ASSI { 1783}
(( segid " " and resid 87 and name HB# ))
( segid " " and resid 96 and name HD# )
2.200 0.600 0.600 peak 1783 weight 0.10000E+01 volume 0.73903E-02 ppm1 2.180 ppm2 0.896 CV 1
ASSI { 1785}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 3 and name HB# ))
2.100 0.600 0.600 peak 1785 weight 0.10000E+01 volume 0.10239E-01 ppm1 2.158 ppm2 1.857 CV 1
ASSI { 1789}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 117 and name HD% )
3.300 1.300 1.300 peak 1789 weight 0.10000E+01 volume 0.80283E-03 ppm1 2.171 ppm2 6.596 CV 1
OR { 1789}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 117 and name HE% )
ASSI { 1793}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 88 and name HG# ))
1.800 0.400 0.400 peak 1793 weight 0.10000E+01 volume 0.26009E-01 ppm1 2.047 ppm2 2.175 CV 1
ASSI { 1799}
(( segid " " and resid 93 and name HG# ))
( segid " " and resid 57 and name HD# )
2.500 0.800 0.800 peak 1799 weight 0.10000E+01 volume 0.41103E-02 ppm1 2.180 ppm2 0.971 CV 1
ASSI { 1806}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HD# ))
2.100 0.500 0.500 peak 1806 weight 0.10000E+01 volume 0.12028E-01 ppm1 1.922 ppm2 1.663 CV 1
OR { 1806}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HG# ))
ASSI { 1808}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HD# ))
2.000 0.500 0.500 peak 1808 weight 0.10000E+01 volume 0.13815E-01 ppm1 1.982 ppm2 1.663 CV 1
ASSI { 1812}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 19 and name HA ))
2.400 0.700 0.700 peak 1812 weight 0.10000E+01 volume 0.52116E-02 ppm1 1.991 ppm2 4.104 CV 1
ASSI { 1814}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 57 and name HN ))
2.900 1.000 1.000 peak 1814 weight 0.10000E+01 volume 0.17212E-02 ppm1 2.003 ppm2 7.459 CV 1
ASSI { 1817}
(( segid " " and resid 99 and name HB# ))
( segid " " and resid 96 and name HD# )
3.500 1.600 1.600 peak 1817 weight 0.10000E+01 volume 0.47953E-03 ppm1 1.496 ppm2 0.905 CV 1
ASSI { 1834}
(( segid " " and resid 37 and name HB# ))
( segid " " and resid 111 and name HE% )
2.600 0.900 0.900 peak 1834 weight 0.10000E+01 volume 0.28304E-02 ppm1 1.570 ppm2 6.651 CV 1
ASSI { 1840}
(( segid " " and resid 114 and name HB# ))
( segid " " and resid 116 and name HG# )
2.700 0.900 0.900 peak 1840 weight 0.10000E+01 volume 0.23694E-02 ppm1 1.864 ppm2 0.757 CV 1
ASSI { 1841}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 5 and name HD% )
3.000 1.100 1.100 peak 1841 weight 0.10000E+01 volume 0.12394E-02 ppm1 1.872 ppm2 7.206 CV 1
OR { 1841}
(( segid " " and resid 3 and name HB# ))
(( segid " " and resid 5 and name HZ ))
ASSI { 1843}
(( segid " " and resid 4 and name HB# ))
( segid " " and resid 119 and name HD# )
3.400 1.400 1.400 peak 1843 weight 0.10000E+01 volume 0.61683E-03 ppm1 1.675 ppm2 0.782 CV 1
ASSI { 1846}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 4 and name HE# ))
3.200 1.300 1.300 peak 1846 weight 0.10000E+01 volume 0.95213E-03 ppm1 1.680 ppm2 2.914 CV 1
ASSI { 1851}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 57 and name HD# )
2.500 0.800 0.800 peak 1851 weight 0.10000E+01 volume 0.35187E-02 ppm1 1.971 ppm2 0.966 CV 1
ASSI { 1863}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 5 and name HD% )
3.100 1.200 1.200 peak 1863 weight 0.10000E+01 volume 0.11197E-02 ppm1 1.740 ppm2 7.208 CV 1
OR { 1863}
(( segid " " and resid 3 and name HB# ))
(( segid " " and resid 5 and name HZ ))
ASSI { 1864}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 5 and name HE% )
2.800 1.000 1.000 peak 1864 weight 0.10000E+01 volume 0.18896E-02 ppm1 1.748 ppm2 7.430 CV 1
ASSI { 1865}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 5 and name HE% )
2.800 1.000 1.000 peak 1865 weight 0.10000E+01 volume 0.18235E-02 ppm1 1.870 ppm2 7.405 CV 1
ASSI { 1866}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 5 and name HD% )
3.000 1.100 1.100 peak 1866 weight 0.10000E+01 volume 0.12603E-02 ppm1 1.878 ppm2 7.208 CV 1
ASSI { 1873}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 22 and name HD# ))
2.600 0.900 0.900 peak 1873 weight 0.10000E+01 volume 0.30271E-02 ppm1 1.228 ppm2 1.677 CV 1
OR { 1873}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 22 and name HG# ))
ASSI { 1880}
(( segid " " and resid 26 and name HB# ))
( segid " " and resid 27 and name HD% )
2.900 1.100 1.100 peak 1880 weight 0.10000E+01 volume 0.15075E-02 ppm1 1.487 ppm2 7.158 CV 1
ASSI { 1885}
(( segid " " and resid 31 and name HB ))
( segid " " and resid 97 and name HD% )
2.800 1.000 1.000 peak 1885 weight 0.10000E+01 volume 0.19592E-02 ppm1 1.391 ppm2 6.965 CV 1
ASSI { 1892}
(( segid " " and resid 116 and name HB ))
( segid " " and resid 81 and name HE% )
3.400 1.400 1.400 peak 1892 weight 0.10000E+01 volume 0.65355E-03 ppm1 1.798 ppm2 7.203 CV 1
ASSI { 1896}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 48 and name HD# ))
2.200 0.600 0.600 peak 1896 weight 0.10000E+01 volume 0.77684E-02 ppm1 1.644 ppm2 1.385 CV 1
ASSI { 1900}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 69 and name HD# ))
3.200 1.300 1.300 peak 1900 weight 0.10000E+01 volume 0.85695E-03 ppm1 1.641 ppm2 3.292 CV 1
ASSI { 1901}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 48 and name HA ))
2.200 0.600 0.600 peak 1901 weight 0.10000E+01 volume 0.92971E-02 ppm1 1.647 ppm2 4.493 CV 1
ASSI { 1903}
(( segid " " and resid 48 and name HB# ))
( segid " " and resid 51 and name HE% )
2.900 1.100 1.100 peak 1903 weight 0.10000E+01 volume 0.14597E-02 ppm1 1.644 ppm2 6.619 CV 1
ASSI { 1927}
(( segid " " and resid 82 and name HB ))
( segid " " and resid 82 and name HG# )
2.100 0.500 0.500 peak 1927 weight 0.10000E+01 volume 0.12596E-01 ppm1 1.718 ppm2 0.827 CV 1
ASSI { 1928}
(( segid " " and resid 82 and name HB ))
( segid " " and resid 96 and name HD# )
2.800 1.000 1.000 peak 1928 weight 0.10000E+01 volume 0.18303E-02 ppm1 1.722 ppm2 0.910 CV 1
ASSI { 1934}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 66 and name HG1#))
2.200 0.600 0.600 peak 1934 weight 0.10000E+01 volume 0.93601E-02 ppm1 1.790 ppm2 0.448 CV 1
ASSI { 1938}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 66 and name HA ))
2.800 1.000 1.000 peak 1938 weight 0.10000E+01 volume 0.19802E-02 ppm1 1.793 ppm2 3.426 CV 1
ASSI { 1971}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 31 and name HG# )
3.300 1.400 1.400 peak 1971 weight 0.10000E+01 volume 0.74569E-03 ppm1 1.748 ppm2 0.387 CV 1
ASSI { 1972}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG# )
2.000 0.500 0.500 peak 1972 weight 0.10000E+01 volume 0.17129E-01 ppm1 1.751 ppm2 0.593 CV 1
ASSI { 1973}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 53 and name HG# )
2.800 1.000 1.000 peak 1973 weight 0.10000E+01 volume 0.21042E-02 ppm1 1.751 ppm2 0.840 CV 1
ASSI { 1978}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HA ))
2.500 0.800 0.800 peak 1978 weight 0.10000E+01 volume 0.39121E-02 ppm1 1.746 ppm2 5.125 CV 1
ASSI { 1979}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 62 and name HZ ))
3.200 1.300 1.300 peak 1979 weight 0.10000E+01 volume 0.83623E-03 ppm1 1.751 ppm2 6.243 CV 1
ASSI { 1980}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 51 and name HD% )
2.900 1.000 1.000 peak 1980 weight 0.10000E+01 volume 0.17165E-02 ppm1 1.746 ppm2 7.064 CV 1
ASSI { 1981}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 34 and name HN ))
3.200 1.300 1.300 peak 1981 weight 0.10000E+01 volume 0.86546E-03 ppm1 1.751 ppm2 8.769 CV 1
ASSI { 1983}
(( segid " " and resid 36 and name HB# ))
( segid " " and resid 34 and name HG# )
3.200 1.300 1.300 peak 1983 weight 0.10000E+01 volume 0.93128E-03 ppm1 1.908 ppm2 0.653 CV 1
ASSI { 1987}
(( segid " " and resid 36 and name HB# ))
( segid " " and resid 5 and name HD% )
2.800 1.000 1.000 peak 1987 weight 0.10000E+01 volume 0.18832E-02 ppm1 1.908 ppm2 7.216 CV 1
ASSI { 2000}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 25 and name HE# ))
3.400 1.400 1.400 peak 2000 weight 0.10000E+01 volume 0.65756E-03 ppm1 1.913 ppm2 2.871 CV 1
ASSI { 2001}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 25 and name HE# ))
3.400 1.500 1.500 peak 2001 weight 0.10000E+01 volume 0.57104E-03 ppm1 2.013 ppm2 2.871 CV 1
ASSI { 2006}
(( segid " " and resid 21 and name HG# ))
( segid " " and resid 105 and name HE% )
3.000 1.100 1.100 peak 2006 weight 0.10000E+01 volume 0.14114E-02 ppm1 2.025 ppm2 7.325 CV 1
ASSI { 2007}
(( segid " " and resid 21 and name HG# ))
( segid " " and resid 105 and name HE% )
2.900 1.000 1.000 peak 2007 weight 0.10000E+01 volume 0.17024E-02 ppm1 1.920 ppm2 7.333 CV 1
ASSI { 2008}
(( segid " " and resid 21 and name HG# ))
( segid " " and resid 105 and name HD% )
3.000 1.100 1.100 peak 2008 weight 0.10000E+01 volume 0.12270E-02 ppm1 1.923 ppm2 7.082 CV 1
ASSI { 2017}
(( segid " " and resid 34 and name HB ))
( segid " " and resid 106 and name HD% )
3.100 1.200 1.200 peak 2017 weight 0.10000E+01 volume 0.11121E-02 ppm1 1.266 ppm2 6.877 CV 1
ASSI { 2019}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 81 and name HE% )
3.200 1.200 1.200 peak 2019 weight 0.10000E+01 volume 0.97243E-03 ppm1 1.860 ppm2 7.174 CV 1
ASSI { 2021}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 81 and name HD% )
3.500 1.500 1.500 peak 2021 weight 0.10000E+01 volume 0.54964E-03 ppm1 1.867 ppm2 6.905 CV 1
ASSI { 2025}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 23 and name HD# )
1.900 0.400 0.400 peak 2025 weight 0.10000E+01 volume 0.21418E-01 ppm1 1.819 ppm2 0.866 CV 1
OR { 2025}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 23 and name HG# )
ASSI { 2031}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 27 and name HD% )
3.100 1.200 1.200 peak 2031 weight 0.10000E+01 volume 0.10909E-02 ppm1 1.816 ppm2 7.157 CV 1
ASSI { 2041}
(( segid " " and resid 86 and name HB ))
(( segid " " and resid 86 and name HG1#))
2.000 0.500 0.500 peak 2041 weight 0.10000E+01 volume 0.15569E-01 ppm1 1.763 ppm2 0.820 CV 1
OR { 2041}
(( segid " " and resid 86 and name HB ))
( segid " " and resid 86 and name HD# )
ASSI { 2055}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 43 and name HG# )
1.900 0.500 0.500 peak 2055 weight 0.10000E+01 volume 0.19581E-01 ppm1 2.074 ppm2 1.121 CV 1
OR { 2055}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 43 and name HD# )
ASSI { 2056}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 43 and name HG1#))
2.400 0.700 0.700 peak 2056 weight 0.10000E+01 volume 0.47669E-02 ppm1 2.080 ppm2 1.439 CV 1
ASSI { 2079}
(( segid " " and resid 65 and name HB# ))
( segid " " and resid 66 and name HD# )
3.400 1.500 1.500 peak 2079 weight 0.10000E+01 volume 0.59231E-03 ppm1 1.640 ppm2 -0.130 CV 1
ASSI { 2117}
(( segid " " and resid 72 and name HB# ))
( segid " " and resid 70 and name HD# )
3.300 1.400 1.400 peak 2117 weight 0.10000E+01 volume 0.69816E-03 ppm1 1.686 ppm2 0.452 CV 1
ASSI { 2125}
(( segid " " and resid 72 and name HB# ))
( segid " " and resid 72 and name HD# )
2.100 0.600 0.600 peak 2125 weight 0.10000E+01 volume 0.97148E-02 ppm1 1.378 ppm2 0.867 CV 1
ASSI { 2128}
(( segid " " and resid 72 and name HB# ))
( segid " " and resid 70 and name HD# )
3.000 1.100 1.100 peak 2128 weight 0.10000E+01 volume 0.13439E-02 ppm1 1.376 ppm2 0.456 CV 1
ASSI { 2140}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 54 and name HB# ))
2.400 0.700 0.700 peak 2140 weight 0.10000E+01 volume 0.45022E-02 ppm1 1.488 ppm2 2.009 CV 1
ASSI { 2160}
(( segid " " and resid 46 and name HB# ))
( segid " " and resid 111 and name HE% )
2.600 0.900 0.900 peak 2160 weight 0.10000E+01 volume 0.29253E-02 ppm1 1.819 ppm2 6.647 CV 1
ASSI { 2164}
(( segid " " and resid 78 and name HB# ))
( segid " " and resid 63 and name HE% )
2.900 1.100 1.100 peak 2164 weight 0.10000E+01 volume 0.15176E-02 ppm1 1.109 ppm2 6.132 CV 1
ASSI { 2165}
(( segid " " and resid 78 and name HB# ))
( segid " " and resid 63 and name HD% )
3.100 1.200 1.200 peak 2165 weight 0.10000E+01 volume 0.11049E-02 ppm1 1.109 ppm2 6.316 CV 1
ASSI { 2166}
(( segid " " and resid 78 and name HB# ))
(( segid " " and resid 79 and name HN ))
3.000 1.100 1.100 peak 2166 weight 0.10000E+01 volume 0.12602E-02 ppm1 1.106 ppm2 9.160 CV 1
ASSI { 2181}
(( segid " " and resid 107 and name HB# ))
( segid " " and resid 97 and name HD% )
2.600 0.900 0.900 peak 2181 weight 0.10000E+01 volume 0.29360E-02 ppm1 1.357 ppm2 6.957 CV 1
ASSI { 2185}
(( segid " " and resid 20 and name HA# ))
( segid " " and resid 23 and name HD# )
2.500 0.800 0.800 peak 2185 weight 0.10000E+01 volume 0.38596E-02 ppm1 3.086 ppm2 0.876 CV 1
ASSI { 2186}
(( segid " " and resid 20 and name HA# ))
( segid " " and resid 23 and name HD# )
2.700 0.900 0.900 peak 2186 weight 0.10000E+01 volume 0.27382E-02 ppm1 4.087 ppm2 0.880 CV 1
ASSI { 2188}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 23 and name HB ))
2.800 1.000 1.000 peak 2188 weight 0.10000E+01 volume 0.20997E-02 ppm1 4.090 ppm2 1.823 CV 1
ASSI { 2191}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 19 and name HB# ))
3.600 1.600 1.600 peak 2191 weight 0.10000E+01 volume 0.44953E-03 ppm1 3.094 ppm2 2.334 CV 1
ASSI { 2202}
(( segid " " and resid 94 and name HA# ))
( segid " " and resid 31 and name HG# )
2.300 0.600 0.600 peak 2202 weight 0.10000E+01 volume 0.68616E-02 ppm1 3.713 ppm2 0.394 CV 1
ASSI { 2216}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 63 and name HB# ))
3.200 1.200 1.200 peak 2216 weight 0.10000E+01 volume 0.97406E-03 ppm1 3.944 ppm2 3.119 CV 1
ASSI { 2217}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 89 and name HB ))
2.300 0.700 0.700 peak 2217 weight 0.10000E+01 volume 0.63347E-02 ppm1 4.093 ppm2 4.249 CV 1
ASSI { 2220}
(( segid " " and resid 60 and name HA# ))
( segid " " and resid 63 and name HD% )
2.500 0.800 0.800 peak 2220 weight 0.10000E+01 volume 0.36018E-02 ppm1 3.941 ppm2 6.314 CV 1
ASSI { 2223}
(( segid " " and resid 60 and name HA# ))
( segid " " and resid 63 and name HE% )
4.500 2.500 1.500 peak 2223 weight 0.10000E+01 volume 0.11333E-03 ppm1 3.944 ppm2 6.155 CV 1
ASSI { 2224}
(( segid " " and resid 60 and name HA# ))
( segid " " and resid 63 and name HE% )
3.600 1.600 1.600 peak 2224 weight 0.10000E+01 volume 0.46505E-03 ppm1 4.079 ppm2 6.143 CV 1
ASSI { 2226}
(( segid " " and resid 44 and name HA# ))
(( segid " " and resid 43 and name HA ))
3.000 1.200 1.200 peak 2226 weight 0.10000E+01 volume 0.12160E-02 ppm1 3.853 ppm2 4.440 CV 1
ASSI { 2239}
(( segid " " and resid 118 and name HA# ))
(( segid " " and resid 40 and name HB# ))
2.900 1.000 1.000 peak 2239 weight 0.10000E+01 volume 0.16445E-02 ppm1 3.559 ppm2 1.830 CV 1
ASSI { 2244}
(( segid " " and resid 118 and name HA# ))
( segid " " and resid 117 and name HD% )
2.900 1.000 1.000 peak 2244 weight 0.10000E+01 volume 0.16533E-02 ppm1 3.554 ppm2 6.592 CV 1
OR { 2244}
(( segid " " and resid 118 and name HA# ))
( segid " " and resid 117 and name HE% )
ASSI { 2245}
(( segid " " and resid 118 and name HA# ))
( segid " " and resid 117 and name HD% )
3.000 1.100 1.100 peak 2245 weight 0.10000E+01 volume 0.13357E-02 ppm1 3.683 ppm2 6.588 CV 1
OR { 2245}
(( segid " " and resid 118 and name HA# ))
( segid " " and resid 117 and name HE% )
ASSI { 2280}
(( segid " " and resid 17 and name HD# ))
( segid " " and resid 13 and name HD% )
2.400 0.700 0.700 peak 2280 weight 0.10000E+01 volume 0.48672E-02 ppm1 3.130 ppm2 7.295 CV 1
ASSI { 2291}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HB# ))
2.200 0.600 0.600 peak 2291 weight 0.10000E+01 volume 0.82437E-02 ppm1 2.676 ppm2 1.424 CV 1
OR { 2291}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HG# ))
ASSI { 2292}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HG# ))
2.200 0.600 0.600 peak 2292 weight 0.10000E+01 volume 0.91823E-02 ppm1 2.437 ppm2 1.429 CV 1
ASSI { 2295}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 54 and name HA ))
2.500 0.800 0.800 peak 2295 weight 0.10000E+01 volume 0.35082E-02 ppm1 2.676 ppm2 4.495 CV 1
ASSI { 2307}
(( segid " " and resid 69 and name HD# ))
( segid " " and resid 46 and name HD# )
2.300 0.700 0.700 peak 2307 weight 0.10000E+01 volume 0.60578E-02 ppm1 3.298 ppm2 0.964 CV 1
ASSI { 2312}
(( segid " " and resid 69 and name HD# ))
(( segid " " and resid 69 and name HG# ))
1.800 0.400 0.400 peak 2312 weight 0.10000E+01 volume 0.27022E-01 ppm1 3.292 ppm2 1.915 CV 1
ASSI { 2315}
(( segid " " and resid 69 and name HD# ))
( segid " " and resid 51 and name HE% )
2.300 0.600 0.600 peak 2315 weight 0.10000E+01 volume 0.70897E-02 ppm1 3.295 ppm2 6.617 CV 1
ASSI { 2332}
(( segid " " and resid 67 and name HD# ))
(( segid " " and resid 67 and name HB# ))
1.900 0.500 0.500 peak 2332 weight 0.10000E+01 volume 0.18677E-01 ppm1 2.811 ppm2 1.621 CV 1
ASSI { 2336}
(( segid " " and resid 67 and name HD# ))
( segid " " and resid 63 and name HD% )
3.200 1.300 1.300 peak 2336 weight 0.10000E+01 volume 0.83886E-03 ppm1 2.814 ppm2 6.316 CV 1
ASSI { 2339}
(( segid " " and resid 111 and name HB# ))
( segid " " and resid 78 and name HD# )
2.800 1.000 1.000 peak 2339 weight 0.10000E+01 volume 0.21395E-02 ppm1 2.828 ppm2 0.463 CV 1
ASSI { 2352}
(( segid " " and resid 79 and name HB# ))
( segid " " and resid 81 and name HE% )
2.600 0.900 0.900 peak 2352 weight 0.10000E+01 volume 0.27966E-02 ppm1 2.620 ppm2 7.209 CV 1
ASSI { 2353}
(( segid " " and resid 79 and name HB# ))
( segid " " and resid 81 and name HE% )
2.700 0.900 0.900 peak 2353 weight 0.10000E+01 volume 0.27488E-02 ppm1 2.528 ppm2 7.217 CV 1
ASSI { 2356}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 37 and name HE# ))
3.100 1.200 1.200 peak 2356 weight 0.10000E+01 volume 0.11506E-02 ppm1 2.740 ppm2 3.006 CV 1
ASSI { 2357}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 37 and name HE# ))
3.300 1.300 1.300 peak 2357 weight 0.10000E+01 volume 0.80533E-03 ppm1 2.533 ppm2 3.006 CV 1
ASSI { 2362}
(( segid " " and resid 51 and name HB# ))
( segid " " and resid 51 and name HE% )
3.100 1.200 1.200 peak 2362 weight 0.10000E+01 volume 0.11489E-02 ppm1 2.836 ppm2 6.611 CV 1
ASSI { 2364}
(( segid " " and resid 51 and name HB# ))
( segid " " and resid 62 and name HE% )
3.700 1.700 1.700 peak 2364 weight 0.10000E+01 volume 0.36030E-03 ppm1 2.659 ppm2 6.516 CV 1
ASSI { 2365}
(( segid " " and resid 51 and name HB# ))
( segid " " and resid 62 and name HE% )
3.300 1.300 1.300 peak 2365 weight 0.10000E+01 volume 0.77873E-03 ppm1 2.836 ppm2 6.532 CV 1
ASSI { 2367}
(( segid " " and resid 51 and name HB# ))
(( segid " " and resid 62 and name HZ ))
3.400 1.400 1.400 peak 2367 weight 0.10000E+01 volume 0.61593E-03 ppm1 2.660 ppm2 6.247 CV 1
ASSI { 2372}
(( segid " " and resid 68 and name HE# ))
(( segid " " and resid 68 and name HG# ))
2.800 1.000 1.000 peak 2372 weight 0.10000E+01 volume 0.20707E-02 ppm1 2.852 ppm2 1.376 CV 1
ASSI { 2373}
(( segid " " and resid 51 and name HB# ))
( segid " " and resid 35 and name HG# )
2.800 1.000 1.000 peak 2373 weight 0.10000E+01 volume 0.20145E-02 ppm1 2.660 ppm2 0.853 CV 1
ASSI { 2375}
(( segid " " and resid 51 and name HB# ))
( segid " " and resid 53 and name HG# )
2.600 0.900 0.900 peak 2375 weight 0.10000E+01 volume 0.28269E-02 ppm1 2.836 ppm2 0.572 CV 1
ASSI { 2383}
(( segid " " and resid 49 and name HE# ))
( segid " " and resid 7 and name HD% )
3.500 1.500 1.500 peak 2383 weight 0.10000E+01 volume 0.53799E-03 ppm1 3.243 ppm2 7.065 CV 1
ASSI { 2388}
(( segid " " and resid 76 and name HB# ))
(( segid " " and resid 72 and name HB# ))
2.300 0.700 0.700 peak 2388 weight 0.10000E+01 volume 0.64013E-02 ppm1 2.847 ppm2 1.705 CV 1
ASSI { 2389}
(( segid " " and resid 76 and name HB# ))
(( segid " " and resid 72 and name HB# ))
2.400 0.700 0.700 peak 2389 weight 0.10000E+01 volume 0.51897E-02 ppm1 2.762 ppm2 1.701 CV 1
OR { 2389}
(( segid " " and resid 76 and name HB# ))
(( segid " " and resid 72 and name HG ))
ASSI { 2401}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HB# ))
3.200 1.200 1.200 peak 2401 weight 0.10000E+01 volume 0.97081E-03 ppm1 2.561 ppm2 1.659 CV 1
ASSI { 2405}
(( segid " " and resid 48 and name HE# ))
( segid " " and resid 51 and name HE% )
2.800 1.000 1.000 peak 2405 weight 0.10000E+01 volume 0.20444E-02 ppm1 2.660 ppm2 6.613 CV 1
ASSI { 2406}
(( segid " " and resid 48 and name HE# ))
( segid " " and resid 51 and name HE% )
2.700 0.900 0.900 peak 2406 weight 0.10000E+01 volume 0.22441E-02 ppm1 2.562 ppm2 6.627 CV 1
ASSI { 2407}
(( segid " " and resid 48 and name HE# ))
( segid " " and resid 51 and name HD% )
2.700 0.900 0.900 peak 2407 weight 0.10000E+01 volume 0.26233E-02 ppm1 2.665 ppm2 7.065 CV 1
ASSI { 2413}
(( segid " " and resid 15 and name HE# ))
(( segid " " and resid 12 and name HG# ))
2.900 1.100 1.100 peak 2413 weight 0.10000E+01 volume 0.14818E-02 ppm1 3.034 ppm2 2.124 CV 1
ASSI { 2416}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HG# ))
2.400 0.700 0.700 peak 2416 weight 0.10000E+01 volume 0.45107E-02 ppm1 2.811 ppm2 0.926 CV 1
ASSI { 2422}
(( segid " " and resid 26 and name HE# ))
( segid " " and resid 27 and name HE% )
2.400 0.700 0.700 peak 2422 weight 0.10000E+01 volume 0.47849E-02 ppm1 2.810 ppm2 6.732 CV 1
ASSI { 2425}
(( segid " " and resid 80 and name HB# ))
( segid " " and resid 80 and name HD% )
2.500 0.800 0.800 peak 2425 weight 0.10000E+01 volume 0.35763E-02 ppm1 2.934 ppm2 6.790 CV 1
ASSI { 2441}
(( segid " " and resid 25 and name HE# ))
(( segid " " and resid 25 and name HA ))
2.900 1.000 1.000 peak 2441 weight 0.10000E+01 volume 0.16640E-02 ppm1 2.906 ppm2 3.977 CV 1
ASSI { 2442}
(( segid " " and resid 68 and name HE# ))
(( segid " " and resid 64 and name HA ))
2.800 1.000 1.000 peak 2442 weight 0.10000E+01 volume 0.18249E-02 ppm1 2.905 ppm2 4.036 CV 1
ASSI { 2444}
(( segid " " and resid 24 and name HD# ))
( segid " " and resid 31 and name HG# )
3.400 1.500 1.500 peak 2444 weight 0.10000E+01 volume 0.60713E-03 ppm1 2.795 ppm2 0.394 CV 1
ASSI { 2445}
(( segid " " and resid 24 and name HD# ))
( segid " " and resid 31 and name HG# )
3.400 1.400 1.400 peak 2445 weight 0.10000E+01 volume 0.65113E-03 ppm1 3.254 ppm2 0.381 CV 1
ASSI { 2446}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 32 and name HG# ))
3.100 1.200 1.200 peak 2446 weight 0.10000E+01 volume 0.11320E-02 ppm1 3.248 ppm2 1.441 CV 1
ASSI { 2448}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HD# ))
1.800 0.400 0.400 peak 2448 weight 0.10000E+01 volume 0.26800E-01 ppm1 2.789 ppm2 1.638 CV 1
ASSI { 2458}
(( segid " " and resid 113 and name HB# ))
( segid " " and resid 43 and name HG# )
2.400 0.700 0.700 peak 2458 weight 0.10000E+01 volume 0.50429E-02 ppm1 3.078 ppm2 1.118 CV 1
OR { 2458}
(( segid " " and resid 113 and name HB# ))
( segid " " and resid 43 and name HD# )
ASSI { 2460}
(( segid " " and resid 104 and name HB# ))
(( segid " " and resid 106 and name HB# ))
2.600 0.900 0.900 peak 2460 weight 0.10000E+01 volume 0.29799E-02 ppm1 3.078 ppm2 2.044 CV 1
ASSI { 2467}
(( segid " " and resid 7 and name HB# ))
( segid " " and resid 7 and name HE% )
3.300 1.300 1.300 peak 2467 weight 0.10000E+01 volume 0.77381E-03 ppm1 3.521 ppm2 6.173 CV 1
ASSI { 2474}
(( segid " " and resid 106 and name HB# ))
( segid " " and resid 106 and name HD% )
3.900 1.900 1.900 peak 2474 weight 0.10000E+01 volume 0.25355E-03 ppm1 3.117 ppm2 6.866 CV 1
ASSI { 2475}
(( segid " " and resid 104 and name HB# ))
( segid " " and resid 13 and name HD% )
2.800 1.000 1.000 peak 2475 weight 0.10000E+01 volume 0.18701E-02 ppm1 3.108 ppm2 7.312 CV 1
ASSI { 2476}
(( segid " " and resid 29 and name HB# ))
(( segid " " and resid 28 and name HB# ))
3.300 1.300 1.300 peak 2476 weight 0.10000E+01 volume 0.78995E-03 ppm1 2.844 ppm2 1.935 CV 1
OR { 2476}
(( segid " " and resid 29 and name HB# ))
(( segid " " and resid 28 and name HG# ))
ASSI { 2487}
(( segid " " and resid 50 and name HE# ))
( segid " " and resid 106 and name HE% )
2.700 0.900 0.900 peak 2487 weight 0.10000E+01 volume 0.25339E-02 ppm1 2.772 ppm2 7.194 CV 1
ASSI { 2488}
(( segid " " and resid 50 and name HE# ))
( segid " " and resid 34 and name HD# )
2.500 0.800 0.800 peak 2488 weight 0.10000E+01 volume 0.34768E-02 ppm1 2.770 ppm2 -0.562 CV 1
ASSI { 2489}
(( segid " " and resid 50 and name HE# ))
( segid " " and resid 23 and name HD# )
2.900 1.100 1.100 peak 2489 weight 0.10000E+01 volume 0.15569E-02 ppm1 2.778 ppm2 0.863 CV 1
ASSI { 2490}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HG# ))
2.400 0.700 0.700 peak 2490 weight 0.10000E+01 volume 0.45001E-02 ppm1 2.775 ppm2 1.005 CV 1
ASSI { 2491}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HB# ))
2.200 0.600 0.600 peak 2491 weight 0.10000E+01 volume 0.91336E-02 ppm1 2.775 ppm2 1.240 CV 1
ASSI { 2493}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HA ))
3.300 1.300 1.300 peak 2493 weight 0.10000E+01 volume 0.80866E-03 ppm1 2.773 ppm2 5.122 CV 1
ASSI { 2494}
(( segid " " and resid 50 and name HE# ))
( segid " " and resid 7 and name HE% )
2.900 1.100 1.100 peak 2494 weight 0.10000E+01 volume 0.16016E-02 ppm1 2.775 ppm2 6.173 CV 1
ASSI { 2498}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 92 and name HB ))
3.200 1.300 1.300 peak 2498 weight 0.10000E+01 volume 0.82577E-03 ppm1 2.786 ppm2 4.899 CV 1
OR { 2498}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 92 and name HA ))
ASSI { 2506}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 49 and name HD# ))
3.200 1.300 1.300 peak 2506 weight 0.10000E+01 volume 0.95261E-03 ppm1 2.631 ppm2 2.037 CV 1
ASSI { 2509}
(( segid " " and resid 5 and name HB# ))
( segid " " and resid 5 and name HE% )
3.200 1.300 1.300 peak 2509 weight 0.10000E+01 volume 0.81095E-03 ppm1 2.616 ppm2 7.409 CV 1
ASSI { 2512}
(( segid " " and resid 104 and name HB# ))
( segid " " and resid 13 and name HD% )
3.000 1.100 1.100 peak 2512 weight 0.10000E+01 volume 0.13839E-02 ppm1 2.440 ppm2 7.287 CV 1
OR { 2512}
(( segid " " and resid 104 and name HB# ))
(( segid " " and resid 13 and name HZ ))
ASSI { 2516}
(( segid " " and resid 8 and name HG# ))
(( segid " " and resid 8 and name HB# ))
2.700 0.900 0.900 peak 2516 weight 0.10000E+01 volume 0.25528E-02 ppm1 2.286 ppm2 1.557 CV 1
ASSI { 2517}
(( segid " " and resid 8 and name HG# ))
(( segid " " and resid 8 and name HB# ))
2.600 0.800 0.800 peak 2517 weight 0.10000E+01 volume 0.33554E-02 ppm1 2.290 ppm2 1.440 CV 1
ASSI { 2518}
(( segid " " and resid 8 and name HG# ))
( segid " " and resid 5 and name HD% )
3.300 1.400 1.400 peak 2518 weight 0.10000E+01 volume 0.67828E-03 ppm1 2.289 ppm2 7.220 CV 1
ASSI { 2521}
(( segid " " and resid 8 and name HD# ))
( segid " " and resid 5 and name HD% )
3.300 1.300 1.300 peak 2521 weight 0.10000E+01 volume 0.76910E-03 ppm1 2.162 ppm2 7.212 CV 1
ASSI { 2522}
(( segid " " and resid 13 and name HB# ))
( segid " " and resid 13 and name HD% )
2.200 0.600 0.600 peak 2522 weight 0.10000E+01 volume 0.75054E-02 ppm1 2.987 ppm2 7.302 CV 1
ASSI { 2541}
(( segid " " and resid 62 and name HB# ))
(( segid " " and resid 63 and name HN ))
3.000 1.100 1.100 peak 2541 weight 0.10000E+01 volume 0.13453E-02 ppm1 3.141 ppm2 9.118 CV 1
ASSI { 2548}
(( segid " " and resid 97 and name HB# ))
(( segid " " and resid 94 and name HA# ))
2.500 0.800 0.800 peak 2548 weight 0.10000E+01 volume 0.36267E-02 ppm1 3.303 ppm2 3.714 CV 1
ASSI { 2553}
(( segid " " and resid 97 and name HB# ))
(( segid " " and resid 31 and name HB ))
3.300 1.300 1.300 peak 2553 weight 0.10000E+01 volume 0.78691E-03 ppm1 3.314 ppm2 1.381 CV 1
ASSI { 2559}
(( segid " " and resid 36 and name HG# ))
( segid " " and resid 34 and name HG# )
2.600 0.900 0.900 peak 2559 weight 0.10000E+01 volume 0.29284E-02 ppm1 2.605 ppm2 0.649 CV 1
ASSI { 2560}
(( segid " " and resid 36 and name HG# ))
(( segid " " and resid 49 and name HG# ))
3.500 1.500 1.500 peak 2560 weight 0.10000E+01 volume 0.52102E-03 ppm1 2.608 ppm2 1.605 CV 1
ASSI { 2563}
(( segid " " and resid 36 and name HG# ))
(( segid " " and resid 36 and name HB# ))
2.300 0.600 0.600 peak 2563 weight 0.10000E+01 volume 0.68575E-02 ppm1 2.608 ppm2 2.279 CV 1
ASSI { 2566}
(( segid " " and resid 36 and name HG# ))
( segid " " and resid 5 and name HD% )
2.600 0.800 0.800 peak 2566 weight 0.10000E+01 volume 0.33409E-02 ppm1 2.605 ppm2 7.208 CV 1
ASSI { 2571}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HA ))
3.400 1.600 1.600 peak 2571 weight 0.10000E+01 volume 0.13429E-02 ppm1 3.289 ppm2 3.929 CV 1
ASSI { 2583}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HB# ))
2.400 0.700 0.700 peak 2583 weight 0.10000E+01 volume 0.51403E-02 ppm1 2.902 ppm2 1.427 CV 1
ASSI { 2587}
(( segid " " and resid 108 and name HB# ))
(( segid " " and resid 108 and name HA ))
2.600 0.900 0.900 peak 2587 weight 0.10000E+01 volume 0.29215E-02 ppm1 2.205 ppm2 4.670 CV 1
ASSI { 2588}
(( segid " " and resid 108 and name HB# ))
( segid " " and resid 108 and name HD% )
2.500 0.800 0.800 peak 2588 weight 0.10000E+01 volume 0.36244E-02 ppm1 2.210 ppm2 6.332 CV 1
ASSI { 2590}
(( segid " " and resid 108 and name HB# ))
(( segid " " and resid 109 and name HN ))
3.400 1.500 1.500 peak 2590 weight 0.10000E+01 volume 0.60049E-03 ppm1 2.210 ppm2 9.382 CV 1
ASSI { 2595}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HB# ))
2.400 0.700 0.700 peak 2595 weight 0.10000E+01 volume 0.48455E-02 ppm1 2.653 ppm2 1.413 CV 1
ASSI { 2615}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 63 and name HA ))
2.400 0.700 0.700 peak 2615 weight 0.10000E+01 volume 0.54975E-02 ppm1 2.733 ppm2 3.941 CV 1
ASSI { 2618}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 117 and name HD% )
2.100 0.500 0.500 peak 2618 weight 0.10000E+01 volume 0.12413E-01 ppm1 2.522 ppm2 6.593 CV 1
ASSI { 2620}
(( segid " " and resid 102 and name HG# ))
(( segid " " and resid 102 and name HB# ))
2.200 0.600 0.600 peak 2620 weight 0.10000E+01 volume 0.83844E-02 ppm1 2.436 ppm2 2.710 CV 1
ASSI { 2626}
(( segid " " and resid 102 and name HG# ))
( segid " " and resid 108 and name HD% )
2.900 1.100 1.100 peak 2626 weight 0.10000E+01 volume 0.14998E-02 ppm1 2.436 ppm2 6.328 CV 1
ASSI { 2649}
(( segid " " and resid 36 and name HB# ))
( segid " " and resid 5 and name HD% )
2.700 0.900 0.900 peak 2649 weight 0.10000E+01 volume 0.22962E-02 ppm1 2.293 ppm2 7.213 CV 1
ASSI { 2651}
(( segid " " and resid 114 and name HG# ))
( segid " " and resid 116 and name HG# )
3.500 1.500 1.500 peak 2651 weight 0.10000E+01 volume 0.50059E-03 ppm1 2.210 ppm2 0.767 CV 1
ASSI { 2652}
(( segid " " and resid 114 and name HG# ))
( segid " " and resid 116 and name HG# )
3.200 1.300 1.300 peak 2652 weight 0.10000E+01 volume 0.83831E-03 ppm1 2.305 ppm2 0.775 CV 1
ASSI { 2653}
(( segid " " and resid 114 and name HG# ))
(( segid " " and resid 114 and name HA ))
2.300 0.700 0.700 peak 2653 weight 0.10000E+01 volume 0.63374E-02 ppm1 2.204 ppm2 4.638 CV 1
ASSI { 2660}
(( segid " " and resid 19 and name HG# ))
( segid " " and resid 23 and name HD# )
2.600 0.800 0.800 peak 2660 weight 0.10000E+01 volume 0.31214E-02 ppm1 2.466 ppm2 0.879 CV 1
ASSI { 2662}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 64 and name HB# ))
3.400 1.400 1.400 peak 2662 weight 0.10000E+01 volume 0.62736E-03 ppm1 2.496 ppm2 3.173 CV 1
ASSI { 2666}
(( segid " " and resid 61 and name HG# ))
( segid " " and resid 57 and name HD# )
2.600 0.800 0.800 peak 2666 weight 0.10000E+01 volume 0.34572E-02 ppm1 2.487 ppm2 0.998 CV 1
ASSI { 2668}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 24 and name HG# ))
2.600 0.800 0.800 peak 2668 weight 0.10000E+01 volume 0.33165E-02 ppm1 2.945 ppm2 1.627 CV 1
ASSI { 2669}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 24 and name HG# ))
2.900 1.000 1.000 peak 2669 weight 0.10000E+01 volume 0.16380E-02 ppm1 3.480 ppm2 1.631 CV 1
ASSI { 2678}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 20 and name HA# ))
2.600 0.800 0.800 peak 2678 weight 0.10000E+01 volume 0.32680E-02 ppm1 2.942 ppm2 4.076 CV 1
ASSI { 2682}
(( segid " " and resid 95 and name HG# ))
( segid " " and resid 92 and name HG# )
3.100 1.200 1.200 peak 2682 weight 0.10000E+01 volume 0.99969E-03 ppm1 2.487 ppm2 1.214 CV 1
ASSI { 2683}
(( segid " " and resid 95 and name HG# ))
( segid " " and resid 91 and name HB% )
3.200 1.300 1.300 peak 2683 weight 0.10000E+01 volume 0.18125E-02 ppm1 2.490 ppm2 1.504 CV 1
ASSI { 2691}
(( segid " " and resid 98 and name HG# ))
( segid " " and resid 97 and name HD% )
2.800 1.000 1.000 peak 2691 weight 0.10000E+01 volume 0.18246E-02 ppm1 2.582 ppm2 6.948 CV 1
ASSI { 2719}
(( segid " " and resid 93 and name HG# ))
( segid " " and resid 57 and name HD# )
2.600 0.900 0.900 peak 2719 weight 0.10000E+01 volume 0.29906E-02 ppm1 2.385 ppm2 0.975 CV 1
ASSI { 2728}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 40 and name HA ))
3.500 1.600 1.600 peak 2728 weight 0.10000E+01 volume 0.49726E-03 ppm1 2.317 ppm2 4.024 CV 1
ASSI { 2730}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 28 and name HA ))
2.000 0.500 0.500 peak 2730 weight 0.10000E+01 volume 0.13919E-01 ppm1 2.317 ppm2 4.436 CV 1
ASSI { 2731}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 40 and name HG# ))
3.000 1.100 1.100 peak 2731 weight 0.10000E+01 volume 0.12810E-02 ppm1 2.314 ppm2 1.293 CV 1
ASSI { 2744}
(( segid " " and resid 59 and name HB ))
( segid " " and resid 91 and name HB% )
3.500 1.500 1.500 peak 2744 weight 0.10000E+01 volume 0.53654E-03 ppm1 2.403 ppm2 1.505 CV 1
ASSI { 2746}
(( segid " " and resid 59 and name HB ))
( segid " " and resid 59 and name HG# )
2.100 0.500 0.500 peak 2746 weight 0.10000E+01 volume 0.12807E-01 ppm1 2.397 ppm2 0.958 CV 1
ASSI { 2749}
(( segid " " and resid 102 and name HB# ))
(( segid " " and resid 102 and name HG# ))
2.600 0.800 0.800 peak 2749 weight 0.10000E+01 volume 0.31754E-02 ppm1 2.717 ppm2 3.032 CV 1
ASSI { 2751}
(( segid " " and resid 102 and name HB# ))
( segid " " and resid 108 and name HD% )
3.000 1.200 1.200 peak 2751 weight 0.10000E+01 volume 0.11965E-02 ppm1 2.724 ppm2 6.316 CV 1
ASSI { 2752}
(( segid " " and resid 102 and name HB# ))
( segid " " and resid 108 and name HE% )
3.000 1.100 1.100 peak 2752 weight 0.10000E+01 volume 0.12402E-02 ppm1 2.719 ppm2 6.879 CV 1
ASSI { 2757}
(( segid " " and resid 103 and name HB# ))
(( segid " " and resid 13 and name HZ ))
2.700 0.900 0.900 peak 2757 weight 0.10000E+01 volume 0.25280E-02 ppm1 2.368 ppm2 7.289 CV 1
ASSI { 2760}
(( segid " " and resid 103 and name HB# ))
( segid " " and resid 13 and name HE% )
2.700 0.900 0.900 peak 2760 weight 0.10000E+01 volume 0.25900E-02 ppm1 2.183 ppm2 7.142 CV 1
ASSI { 2763}
(( segid " " and resid 61 and name HB# ))
(( segid " " and resid 61 and name HA ))
2.500 0.800 0.800 peak 2763 weight 0.10000E+01 volume 0.42839E-02 ppm1 2.552 ppm2 4.272 CV 1
ASSI { 2780}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 32 and name HB# ))
2.500 0.800 0.800 peak 2780 weight 0.10000E+01 volume 0.40565E-02 ppm1 2.528 ppm2 1.595 CV 1
ASSI { 2786}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 23 and name HG# )
2.800 1.000 1.000 peak 2786 weight 0.10000E+01 volume 0.20284E-02 ppm1 2.525 ppm2 0.872 CV 1
OR { 2786}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 23 and name HD# )
ASSI { 2788}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 32 and name HA ))
3.300 1.300 1.300 peak 2788 weight 0.10000E+01 volume 0.77541E-03 ppm1 2.531 ppm2 5.137 CV 1
ASSI { 2790}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 97 and name HD% )
3.100 1.200 1.200 peak 2790 weight 0.10000E+01 volume 0.10938E-02 ppm1 2.516 ppm2 6.963 CV 1
ASSI { 2801}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HG# )
2.100 0.500 0.500 peak 2801 weight 0.10000E+01 volume 0.12825E-01 ppm1 3.687 ppm2 0.968 CV 1
ASSI { 2814}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 30 and name HA ))
3.300 1.400 1.400 peak 2814 weight 0.10000E+01 volume 0.74832E-03 ppm1 3.727 ppm2 4.895 CV 1
ASSI { 2817}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 29 and name HB# ))
4.900 2.900 1.100 peak 2817 weight 0.10000E+01 volume 0.73225E-04 ppm1 3.642 ppm2 2.657 CV 1
ASSI { 2829}
(( segid " " and resid 115 and name HB# ))
( segid " " and resid 86 and name HD# )
2.600 0.800 0.800 peak 2829 weight 0.10000E+01 volume 0.31649E-02 ppm1 2.451 ppm2 0.818 CV 1
ASSI { 2830}
(( segid " " and resid 115 and name HB# ))
( segid " " and resid 79 and name HD% )
3.500 1.500 1.500 peak 2830 weight 0.10000E+01 volume 0.54395E-03 ppm1 2.451 ppm2 6.916 CV 1
ASSI { 2831}
(( segid " " and resid 115 and name HB# ))
( segid " " and resid 79 and name HE% )
2.600 0.800 0.800 peak 2831 weight 0.10000E+01 volume 0.33247E-02 ppm1 2.451 ppm2 7.218 CV 1
ASSI { 2836}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 46 and name HD# )
3.000 1.100 1.100 peak 2836 weight 0.10000E+01 volume 0.12728E-02 ppm1 3.433 ppm2 0.956 CV 1
ASSI { 2843}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 63 and name HE% )
3.500 1.600 1.600 peak 2843 weight 0.10000E+01 volume 0.48930E-03 ppm1 3.945 ppm2 6.124 CV 1
ASSI { 2845}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 59 and name HG# )
3.500 1.500 1.500 peak 2845 weight 0.10000E+01 volume 0.55684E-03 ppm1 3.949 ppm2 0.840 CV 1
ASSI { 2847}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 24 and name HG# ))
3.100 1.200 1.200 peak 2847 weight 0.10000E+01 volume 0.98659E-03 ppm1 3.594 ppm2 1.613 CV 1
ASSI { 2849}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 101 and name HB# ))
3.000 1.100 1.100 peak 2849 weight 0.10000E+01 volume 0.14009E-02 ppm1 3.594 ppm2 2.268 CV 1
ASSI { 2858}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 93 and name HB# ))
2.800 1.000 1.000 peak 2858 weight 0.10000E+01 volume 0.18286E-02 ppm1 3.698 ppm2 1.392 CV 1
ASSI { 2859}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 93 and name HB# ))
2.600 0.900 0.900 peak 2859 weight 0.10000E+01 volume 0.27808E-02 ppm1 3.696 ppm2 1.962 CV 1
ASSI { 2863}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 78 and name HD# )
2.300 0.700 0.700 peak 2863 weight 0.10000E+01 volume 0.62585E-02 ppm1 3.397 ppm2 0.830 CV 1
ASSI { 2864}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 70 and name HD# )
2.300 0.700 0.700 peak 2864 weight 0.10000E+01 volume 0.58249E-02 ppm1 3.401 ppm2 0.458 CV 1
ASSI { 2877}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HD# ))
3.300 1.400 1.400 peak 2877 weight 0.10000E+01 volume 0.67523E-03 ppm1 3.770 ppm2 3.122 CV 1
ASSI { 2891}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HE# ))
3.200 1.300 1.300 peak 2891 weight 0.10000E+01 volume 0.92712E-03 ppm1 4.107 ppm2 2.946 CV 1
ASSI { 2892}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HB# ))
2.300 0.600 0.600 peak 2892 weight 0.10000E+01 volume 0.70627E-02 ppm1 4.110 ppm2 1.938 CV 1
ASSI { 2893}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HD# ))
2.500 0.800 0.800 peak 2893 weight 0.10000E+01 volume 0.38080E-02 ppm1 4.110 ppm2 1.678 CV 1
ASSI { 2894}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 23 and name HD# )
3.200 1.300 1.300 peak 2894 weight 0.10000E+01 volume 0.85120E-03 ppm1 4.107 ppm2 0.876 CV 1
ASSI { 2897}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 24 and name HB# ))
2.300 0.600 0.600 peak 2897 weight 0.10000E+01 volume 0.70638E-02 ppm1 3.175 ppm2 1.643 CV 1
ASSI { 2898}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 105 and name HD% )
3.000 1.100 1.100 peak 2898 weight 0.10000E+01 volume 0.13508E-02 ppm1 3.168 ppm2 7.106 CV 1
ASSI { 2899}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 105 and name HE% )
2.900 1.000 1.000 peak 2899 weight 0.10000E+01 volume 0.16400E-02 ppm1 3.175 ppm2 7.344 CV 1
ASSI { 2900}
(( segid " " and resid 117 and name HA ))
( segid " " and resid 116 and name HG# )
3.300 1.400 1.400 peak 2900 weight 0.10000E+01 volume 0.68937E-03 ppm1 3.658 ppm2 0.757 CV 1
ASSI { 2905}
(( segid " " and resid 117 and name HA ))
( segid " " and resid 81 and name HE% )
3.100 1.200 1.200 peak 2905 weight 0.10000E+01 volume 0.10065E-02 ppm1 3.666 ppm2 7.199 CV 1
ASSI { 2912}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 64 and name HD% )
2.800 1.000 1.000 peak 2912 weight 0.10000E+01 volume 0.17819E-02 ppm1 4.282 ppm2 7.337 CV 1
ASSI { 2916}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HD# ))
2.300 0.600 0.600 peak 2916 weight 0.10000E+01 volume 0.69557E-02 ppm1 4.017 ppm2 3.287 CV 1
ASSI { 2917}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HG# ))
1.900 0.500 0.500 peak 2917 weight 0.10000E+01 volume 0.19519E-01 ppm1 4.006 ppm2 1.913 CV 1
OR { 2917}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB# ))
ASSI { 2920}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HG# ))
2.100 0.500 0.500 peak 2920 weight 0.10000E+01 volume 0.11605E-01 ppm1 3.989 ppm2 1.588 CV 1
ASSI { 2922}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HG# ))
2.300 0.700 0.700 peak 2922 weight 0.10000E+01 volume 0.66133E-02 ppm1 3.999 ppm2 1.336 CV 1
ASSI { 2927}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG ))
2.000 0.500 0.500 peak 2927 weight 0.10000E+01 volume 0.17205E-01 ppm1 3.942 ppm2 1.793 CV 1
OR { 2927}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB# ))
ASSI { 2936}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HD# ))
2.600 0.800 0.800 peak 2936 weight 0.10000E+01 volume 0.33467E-02 ppm1 4.196 ppm2 1.777 CV 1
ASSI { 2941}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HG# ))
1.900 0.400 0.400 peak 2941 weight 0.10000E+01 volume 0.20913E-01 ppm1 4.086 ppm2 2.417 CV 1
ASSI { 2960}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 107 and name HB# ))
3.300 1.400 1.400 peak 2960 weight 0.10000E+01 volume 0.68833E-03 ppm1 4.265 ppm2 1.364 CV 1
ASSI { 2961}
(( segid " " and resid 101 and name HA ))
( segid " " and resid 107 and name HD# )
2.200 0.600 0.600 peak 2961 weight 0.10000E+01 volume 0.94998E-02 ppm1 4.268 ppm2 0.882 CV 1
ASSI { 2970}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG# ))
2.100 0.600 0.600 peak 2970 weight 0.10000E+01 volume 0.10893E-01 ppm1 4.153 ppm2 2.281 CV 1
ASSI { 2973}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB ))
2.500 0.800 0.800 peak 2973 weight 0.10000E+01 volume 0.42703E-02 ppm1 4.157 ppm2 1.395 CV 1
ASSI { 2989}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB# ))
2.000 0.500 0.500 peak 2989 weight 0.10000E+01 volume 0.21264E-01 ppm1 4.028 ppm2 1.829 CV 1
ASSI { 2991}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG# ))
2.100 0.500 0.500 peak 2991 weight 0.10000E+01 volume 0.11397E-01 ppm1 4.024 ppm2 1.286 CV 1
ASSI { 2993}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 119 and name HG ))
2.000 0.500 0.500 peak 2993 weight 0.10000E+01 volume 0.16123E-01 ppm1 4.067 ppm2 1.466 CV 1
OR { 2993}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 119 and name HB# ))
ASSI { 2995}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 40 and name HB# ))
2.200 0.600 0.600 peak 2995 weight 0.10000E+01 volume 0.84939E-02 ppm1 4.067 ppm2 1.826 CV 1
ASSI { 2996}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 40 and name HD# ))
2.400 0.700 0.700 peak 2996 weight 0.10000E+01 volume 0.54697E-02 ppm1 4.071 ppm2 1.594 CV 1
ASSI { 2997}
(( segid " " and resid 119 and name HA ))
( segid " " and resid 119 and name HD# )
2.100 0.500 0.500 peak 2997 weight 0.10000E+01 volume 0.11913E-01 ppm1 4.071 ppm2 0.786 CV 1
ASSI { 2998}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 40 and name HG# ))
2.500 0.800 0.800 peak 2998 weight 0.10000E+01 volume 0.39077E-02 ppm1 4.064 ppm2 1.293 CV 1
ASSI { 3008}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 31 and name HG# )
3.200 1.300 1.300 peak 3008 weight 0.10000E+01 volume 0.92186E-03 ppm1 4.354 ppm2 0.396 CV 1
ASSI { 3042}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 74 and name HB% )
1.800 0.400 0.400 peak 3042 weight 0.10000E+01 volume 0.29930E-01 ppm1 3.856 ppm2 1.388 CV 1
ASSI { 3043}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 72 and name HB# ))
3.500 1.600 1.600 peak 3043 weight 0.10000E+01 volume 0.48361E-03 ppm1 3.861 ppm2 1.672 CV 1
ASSI { 3045}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 67 and name HD# ))
2.800 1.000 1.000 peak 3045 weight 0.10000E+01 volume 0.33349E-02 ppm1 3.857 ppm2 2.817 CV 1
ASSI { 3047}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HD# ))
2.800 1.000 1.000 peak 3047 weight 0.10000E+01 volume 0.18393E-02 ppm1 4.365 ppm2 3.251 CV 1
ASSI { 3050}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB# ))
2.100 0.600 0.600 peak 3050 weight 0.10000E+01 volume 0.10286E-01 ppm1 4.364 ppm2 1.664 CV 1
ASSI { 3051}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 74 and name HB% )
3.200 1.100 1.100 peak 3051 weight 0.10000E+01 volume 0.25930E-02 ppm1 4.365 ppm2 1.376 CV 1
ASSI { 3054}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 85 and name HG# )
3.500 1.500 1.500 peak 3054 weight 0.10000E+01 volume 0.17165E-02 ppm1 4.322 ppm2 0.982 CV 1
ASSI { 3057}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB# ))
2.000 0.500 0.500 peak 3057 weight 0.10000E+01 volume 0.13888E-01 ppm1 4.322 ppm2 3.014 CV 1
ASSI { 3062}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HB# ))
2.400 0.700 0.700 peak 3062 weight 0.10000E+01 volume 0.47439E-02 ppm1 4.135 ppm2 2.417 CV 1
ASSI { 3065}
(( segid " " and resid 104 and name HA ))
( segid " " and resid 105 and name HD% )
3.000 1.100 1.100 peak 3065 weight 0.10000E+01 volume 0.12648E-02 ppm1 4.137 ppm2 7.090 CV 1
ASSI { 3066}
(( segid " " and resid 104 and name HA ))
( segid " " and resid 13 and name HD% )
2.800 0.900 0.900 peak 3066 weight 0.10000E+01 volume 0.22027E-02 ppm1 4.132 ppm2 7.298 CV 1
ASSI { 3070}
(( segid " " and resid 54 and name HD# ))
( segid " " and resid 57 and name HD# )
2.600 0.800 0.800 peak 3070 weight 0.10000E+01 volume 0.33709E-02 ppm1 3.562 ppm2 0.865 CV 1
ASSI { 3071}
(( segid " " and resid 54 and name HD# ))
( segid " " and resid 57 and name HD# )
2.600 0.800 0.800 peak 3071 weight 0.10000E+01 volume 0.31429E-02 ppm1 3.999 ppm2 0.875 CV 1
ASSI { 3103}
(( segid " " and resid 88 and name HD# ))
( segid " " and resid 96 and name HD# )
2.700 0.900 0.900 peak 3103 weight 0.20000E+01 volume 0.24175E-02 ppm1 3.583 ppm2 0.901 CV 1
ASSI { 3104}
(( segid " " and resid 88 and name HD# ))
( segid " " and resid 96 and name HD# )
2.600 0.900 0.900 peak 3104 weight 0.10000E+01 volume 0.29222E-02 ppm1 3.970 ppm2 0.891 CV 1
ASSI { 3108}
(( segid " " and resid 88 and name HD# ))
(( segid " " and resid 87 and name HB# ))
2.600 0.800 0.800 peak 3108 weight 0.10000E+01 volume 0.32781E-02 ppm1 3.580 ppm2 2.021 CV 1
ASSI { 3113}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 117 and name HE% )
2.700 0.900 0.900 peak 3113 weight 0.10000E+01 volume 0.25094E-02 ppm1 4.411 ppm2 6.590 CV 1
ASSI { 3130}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 23 and name HG# )
3.700 1.700 1.700 peak 3130 weight 0.10000E+01 volume 0.36862E-03 ppm1 3.336 ppm2 0.865 CV 1
OR { 3130}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 23 and name HD# )
ASSI { 3140}
(( segid " " and resid 39 and name HD# ))
( segid " " and resid 117 and name HE% )
3.000 1.100 1.100 peak 3140 weight 0.10000E+01 volume 0.12696E-02 ppm1 3.852 ppm2 6.589 CV 1
ASSI { 3145}
(( segid " " and resid 87 and name HD# ))
( segid " " and resid 82 and name HG# )
2.700 0.900 0.900 peak 3145 weight 0.10000E+01 volume 0.26367E-02 ppm1 3.948 ppm2 0.834 CV 1
ASSI { 3150}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 87 and name HG# ))
2.400 0.700 0.700 peak 3150 weight 0.10000E+01 volume 0.45622E-02 ppm1 3.951 ppm2 2.157 CV 1
OR { 3150}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 87 and name HB# ))
ASSI { 3159}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 28 and name HG# ))
2.000 0.500 0.500 peak 3159 weight 0.10000E+01 volume 0.15837E-01 ppm1 3.282 ppm2 1.906 CV 1
ASSI { 3164}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 27 and name HB# ))
3.800 1.800 1.800 peak 3164 weight 0.10000E+01 volume 0.30592E-03 ppm1 3.293 ppm2 2.657 CV 1
ASSI { 3165}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 27 and name HB# ))
3.400 1.500 1.500 peak 3165 weight 0.10000E+01 volume 0.60464E-03 ppm1 3.289 ppm2 2.911 CV 1
ASSI { 3173}
(( segid " " and resid 28 and name HD# ))
( segid " " and resid 27 and name HD% )
3.200 1.300 1.300 peak 3173 weight 0.10000E+01 volume 0.90343E-03 ppm1 3.286 ppm2 7.164 CV 1
ASSI { 3185}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB# ))
2.400 0.700 0.700 peak 3185 weight 0.10000E+01 volume 0.48515E-02 ppm1 6.023 ppm2 2.790 CV 1
ASSI { 3200}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB# ))
2.300 0.700 0.700 peak 3200 weight 0.10000E+01 volume 0.58158E-02 ppm1 5.117 ppm2 1.621 CV 1
ASSI { 3203}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 34 and name HG# )
3.100 1.200 1.200 peak 3203 weight 0.10000E+01 volume 0.10455E-02 ppm1 5.119 ppm2 0.635 CV 1
ASSI { 3212}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB# ))
2.500 0.800 0.800 peak 3212 weight 0.10000E+01 volume 0.43903E-02 ppm1 5.088 ppm2 2.783 CV 1
ASSI { 3218}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 86 and name HG1#))
2.700 0.900 0.900 peak 3218 weight 0.10000E+01 volume 0.23830E-02 ppm1 5.083 ppm2 0.823 CV 1
ASSI { 3220}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 51 and name HE% )
2.400 0.700 0.700 peak 3220 weight 0.10000E+01 volume 0.46959E-02 ppm1 5.040 ppm2 6.627 CV 1
ASSI { 3230}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 85 and name HG# )
3.600 1.600 1.600 peak 3230 weight 0.10000E+01 volume 0.41690E-03 ppm1 5.203 ppm2 0.970 CV 1
ASSI { 3233}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 110 and name HA ))
3.000 1.100 1.100 peak 3233 weight 0.10000E+01 volume 0.12426E-02 ppm1 5.740 ppm2 6.510 CV 1
ASSI { 3235}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 33 and name HG# )
3.100 1.200 1.200 peak 3235 weight 0.10000E+01 volume 0.10474E-02 ppm1 5.745 ppm2 0.628 CV 1
ASSI { 3242}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 24 and name HB# ))
3.300 1.300 1.300 peak 3242 weight 0.10000E+01 volume 0.78046E-03 ppm1 4.448 ppm2 1.610 CV 1
OR { 3242}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 24 and name HG# ))
ASSI { 3248}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 99 and name HB# ))
2.700 0.900 0.900 peak 3248 weight 0.10000E+01 volume 0.25730E-02 ppm1 4.254 ppm2 1.498 CV 1
ASSI { 3257}
(( segid " " and resid 107 and name HA ))
( segid " " and resid 33 and name HG# )
3.800 1.800 1.800 peak 3257 weight 0.10000E+01 volume 0.30003E-03 ppm1 4.707 ppm2 0.614 CV 1
ASSI { 3261}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 79 and name HE% )
3.000 1.100 1.100 peak 3261 weight 0.10000E+01 volume 0.14043E-02 ppm1 4.022 ppm2 7.226 CV 1
ASSI { 3263}
(( segid " " and resid 107 and name HA ))
( segid " " and resid 97 and name HD% )
3.000 1.100 1.100 peak 3263 weight 0.10000E+01 volume 0.13629E-02 ppm1 4.707 ppm2 6.961 CV 1
ASSI { 3265}
(( segid " " and resid 84 and name HA ))
( segid " " and resid 117 and name HD% )
3.800 1.800 1.800 peak 3265 weight 0.10000E+01 volume 0.33550E-03 ppm1 4.036 ppm2 6.592 CV 1
ASSI { 3266}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HZ ))
3.900 1.900 1.900 peak 3266 weight 0.10000E+01 volume 0.26345E-03 ppm1 4.465 ppm2 6.266 CV 1
ASSI { 3280}
(( segid " " and resid 5 and name HB# ))
( segid " " and resid 5 and name HD% )
2.400 0.700 0.700 peak 3280 weight 0.10000E+01 volume 0.55277E-02 ppm1 3.061 ppm2 7.217 CV 1
ASSI { 3297}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 81 and name HE% )
3.300 1.400 1.400 peak 3297 weight 0.10000E+01 volume 0.70987E-03 ppm1 2.521 ppm2 7.175 CV 1
ASSI { 3304}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 108 and name HA ))
3.600 1.700 1.700 peak 3304 weight 0.10000E+01 volume 0.41441E-03 ppm1 5.115 ppm2 4.668 CV 1
ASSI { 3311}
(( segid " " and resid 22 and name HE# ))
(( segid " " and resid 22 and name HG# ))
2.300 0.700 0.700 peak 3311 weight 0.10000E+01 volume 0.61432E-02 ppm1 2.938 ppm2 1.371 CV 1
ASSI { 3314}
( segid " " and resid 74 and name HB% )
( segid " " and resid 64 and name HD% )
3.800 1.800 1.800 peak 3314 weight 0.10000E+01 volume 0.31894E-03 ppm1 1.391 ppm2 7.339 CV 1
ASSI { 3317}
(( segid " " and resid 113 and name HB# ))
(( segid " " and resid 43 and name HN ))
4.300 2.300 1.700 peak 3317 weight 0.10000E+01 volume 0.15912E-03 ppm1 2.716 ppm2 6.900 CV 1
ASSI { 3332}
(( segid " " and resid 102 and name HG# ))
(( segid " " and resid 101 and name HD# ))
4.000 2.000 2.000 peak 3332 weight 0.10000E+01 volume 0.24351E-03 ppm1 2.437 ppm2 6.938 CV 1
ASSI { 3333}
(( segid " " and resid 49 and name HD# ))
(( segid " " and resid 50 and name HA ))
3.700 1.800 1.800 peak 3333 weight 0.10000E+01 volume 0.34665E-03 ppm1 2.022 ppm2 5.087 CV 1
ASSI { 3334}
(( segid " " and resid 67 and name HG# ))
( segid " " and resid 70 and name HD# )
3.400 1.500 1.500 peak 3334 weight 0.10000E+01 volume 0.58282E-03 ppm1 1.161 ppm2 0.437 CV 1
ASSI { 3335}
(( segid " " and resid 14 and name HB# ))
( segid " " and resid 13 and name HD% )
3.600 1.600 1.600 peak 3335 weight 0.10000E+01 volume 0.44018E-03 ppm1 2.074 ppm2 7.292 CV 1
ASSI { 3340}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 119 and name HB# ))
3.300 1.300 1.300 peak 3340 weight 0.10000E+01 volume 0.77817E-03 ppm1 0.754 ppm2 1.458 CV 1
ASSI { 3371}
( segid " " and resid 86 and name HG# )
( segid " " and resid 63 and name HE% )
6.000 4.500 0.000 peak 3371 weight 0.10000E+01 volume 0.21059E-04 ppm1 1.160 ppm2 6.127 CV 1
ASSI { 3375}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 96 and name HD# )
2.700 0.900 0.900 peak 3375 weight 0.10000E+01 volume 0.25715E-02 ppm1 4.855 ppm2 0.878 CV 1
ASSI { 3382}
( segid " " and resid 82 and name HG# )
( segid " " and resid 80 and name HD% )
4.900 3.000 1.100 peak 3382 weight 0.10000E+01 volume 0.70593E-04 ppm1 0.827 ppm2 6.786 CV 1
ASSI { 3384}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 26 and name HD# ))
3.400 1.400 1.400 peak 3384 weight 0.10000E+01 volume 0.66304E-03 ppm1 0.959 ppm2 1.382 CV 1
ASSI { 3389}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 62 and name HA ))
3.600 1.600 1.600 peak 3389 weight 0.10000E+01 volume 0.43665E-03 ppm1 0.843 ppm2 4.468 CV 1
ASSI { 3390}
( segid " " and resid 66 and name HD# )
( segid " " and resid 46 and name HD# )
2.200 0.600 0.600 peak 3390 weight 0.10000E+01 volume 0.78241E-02 ppm1 -0.121 ppm2 0.963 CV 1
ASSI { 3401}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 92 and name HB ))
2.000 0.500 0.500 peak 3401 weight 0.10000E+01 volume 0.16730E-01 ppm1 1.217 ppm2 4.887 CV 1
OR { 3401}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 92 and name HA ))
ASSI { 3403}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 56 and name HA ))
2.200 0.600 0.600 peak 3403 weight 0.10000E+01 volume 0.90169E-02 ppm1 1.217 ppm2 4.519 CV 1
ASSI { 3409}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 61 and name HG# ))
3.100 1.200 1.200 peak 3409 weight 0.10000E+01 volume 0.10538E-02 ppm1 1.265 ppm2 2.499 CV 1
ASSI { 3435}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HG ))
2.400 0.700 0.700 peak 3435 weight 0.10000E+01 volume 0.56345E-02 ppm1 1.013 ppm2 1.820 CV 1
OR { 3435}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HB# ))
ASSI { 3451}
(( segid " " and resid 80 and name HB# ))
( segid " " and resid 86 and name HG# )
5.600 3.900 0.400 peak 3451 weight 0.10000E+01 volume 0.31520E-04 ppm1 2.828 ppm2 1.153 CV 1
ASSI { 3456}
(( segid " " and resid 68 and name HE# ))
(( segid " " and resid 65 and name HA ))
3.000 1.200 1.200 peak 3456 weight 0.10000E+01 volume 0.12001E-02 ppm1 2.831 ppm2 3.953 CV 1
ASSI { 3466}
(( segid " " and resid 87 and name HD# ))
( segid " " and resid 96 and name HD# )
3.400 1.400 1.400 peak 3466 weight 0.10000E+01 volume 0.62286E-03 ppm1 3.952 ppm2 0.909 CV 1
ASSI { 3469}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 32 and name HD# ))
3.300 1.300 1.300 peak 3469 weight 0.10000E+01 volume 0.78482E-03 ppm1 0.409 ppm2 3.371 CV 1
ASSI { 3474}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 3 and name HA ))
4.000 2.000 2.000 peak 3474 weight 0.10000E+01 volume 0.23034E-03 ppm1 1.683 ppm2 4.202 CV 1
ASSI { 3480}
(( segid " " and resid 62 and name HB# ))
( segid " " and resid 57 and name HD# )
2.700 0.900 0.900 peak 3480 weight 0.10000E+01 volume 0.27453E-02 ppm1 3.273 ppm2 0.885 CV 1
ASSI { 3490}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HA ))
3.800 1.800 1.800 peak 3490 weight 0.10000E+01 volume 0.31992E-03 ppm1 1.536 ppm2 5.112 CV 1
ASSI { 3491}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HA ))
4.100 2.100 1.900 peak 3491 weight 0.10000E+01 volume 0.19030E-03 ppm1 1.615 ppm2 5.118 CV 1
ASSI { 3492}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HE# ))
2.400 0.700 0.700 peak 3492 weight 0.10000E+01 volume 0.54570E-02 ppm1 1.544 ppm2 2.773 CV 1
ASSI { 3494}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HG# ))
2.200 0.600 0.600 peak 3494 weight 0.10000E+01 volume 0.83512E-02 ppm1 1.541 ppm2 1.201 CV 1
OR { 3494}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HB# ))
ASSI { 3503}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 8 and name HG# ))
4.600 2.700 1.400 peak 3503 weight 0.10000E+01 volume 0.98994E-04 ppm1 2.616 ppm2 2.291 CV 1
ASSI { 3540}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 10 and name HA ))
4.500 2.500 1.500 peak 3540 weight 0.10000E+01 volume 0.11486E-03 ppm1 2.134 ppm2 3.928 CV 1
ASSI { 3545}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 21 and name HB# ))
3.900 1.900 1.900 peak 3545 weight 0.10000E+01 volume 0.29262E-03 ppm1 4.042 ppm2 1.888 CV 1
ASSI { 3547}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 15 and name HB# ))
3.700 1.700 1.700 peak 3547 weight 0.10000E+01 volume 0.35330E-03 ppm1 3.994 ppm2 2.008 CV 1
ASSI { 3549}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 14 and name HB# ))
4.800 2.900 1.200 peak 3549 weight 0.10000E+01 volume 0.78905E-04 ppm1 4.040 ppm2 2.089 CV 1
ASSI { 3556}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HD# ))
5.500 3.700 0.500 peak 3556 weight 0.10000E+01 volume 0.35885E-04 ppm1 3.755 ppm2 1.650 CV 1
ASSI { 3560}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 30 and name HD# ))
4.300 2.300 1.700 peak 3560 weight 0.10000E+01 volume 0.14894E-03 ppm1 4.864 ppm2 2.682 CV 1
ASSI { 3565}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 27 and name HE% )
4.300 2.300 1.700 peak 3565 weight 0.10000E+01 volume 0.15864E-03 ppm1 3.400 ppm2 6.722 CV 1
ASSI { 3582}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 116 and name HB ))
2.000 0.500 0.500 peak 3582 weight 0.10000E+01 volume 0.17217E-01 ppm1 0.747 ppm2 1.805 CV 1
ASSI { 3586}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 111 and name HD% )
3.700 1.700 1.700 peak 3586 weight 0.10000E+01 volume 0.38892E-03 ppm1 2.054 ppm2 6.830 CV 1
ASSI { 3590}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG# )
2.100 0.500 0.500 peak 3590 weight 0.10000E+01 volume 0.11390E-01 ppm1 2.050 ppm2 0.822 CV 1
ASSI { 3605}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 44 and name HA# ))
3.200 1.300 1.300 peak 3605 weight 0.10000E+01 volume 0.84426E-03 ppm1 1.749 ppm2 4.089 CV 1
ASSI { 3607}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 54 and name HA ))
4.600 2.600 1.400 peak 3607 weight 0.10000E+01 volume 0.10094E-03 ppm1 3.698 ppm2 4.501 CV 1
ASSI { 3610}
(( segid " " and resid 83 and name HB# ))
( segid " " and resid 82 and name HG# )
4.400 2.400 1.600 peak 3610 weight 0.10000E+01 volume 0.12844E-03 ppm1 2.687 ppm2 0.819 CV 1
ASSI { 3611}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 5 and name HA ))
3.800 1.800 1.800 peak 3611 weight 0.10000E+01 volume 0.29601E-03 ppm1 1.004 ppm2 4.725 CV 1
ASSI { 3037}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB# ))
2.400 0.700 0.700 peak 3037 weight 0.20000E+01 volume 0.56616E-02 ppm1 4.207 ppm2 1.858 CV 1
ASSI { 1862}
(( segid " " and resid 3 and name HB# ))
(( segid " " and resid 3 and name HA ))
2.500 0.800 0.800 peak 1862 weight 0.20000E+01 volume 0.36093E-02 ppm1 1.740 ppm2 4.205 CV 1
ASSI { 553}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 3 and name HA ))
3.200 1.300 1.300 peak 553 weight 0.20000E+01 volume 0.82813E-03 ppm1 1.641 ppm2 4.203 CV 1
ASSI { 546}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 3 and name HB# ))
2.100 0.600 0.600 peak 546 weight 0.20000E+01 volume 0.99099E-02 ppm1 1.642 ppm2 1.868 CV 1
ASSI { 1787}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 3 and name HA ))
2.600 0.800 0.800 peak 1787 weight 0.20000E+01 volume 0.32704E-02 ppm1 2.163 ppm2 4.209 CV 1
ASSI { 1859}
(( segid " " and resid 3 and name HB# ))
(( segid " " and resid 3 and name HG# ))
2.400 0.700 0.700 peak 1859 weight 0.20000E+01 volume 0.49520E-02 ppm1 1.746 ppm2 2.153 CV 1
ASSI { 547}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 3 and name HG# ))
2.400 0.700 0.700 peak 547 weight 0.20000E+01 volume 0.47305E-02 ppm1 1.641 ppm2 2.154 CV 1
ASSI { 3038}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG# ))
2.100 0.600 0.600 peak 3038 weight 0.20000E+01 volume 0.11040E-01 ppm1 4.211 ppm2 1.733 CV 1
ASSI { 1857}
(( segid " " and resid 3 and name HB# ))
(( segid " " and resid 3 and name HG# ))
1.800 0.400 0.400 peak 1857 weight 0.20000E+01 volume 0.30293E-01 ppm1 1.875 ppm2 1.734 CV 1
ASSI { 3268}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HA ))
3.200 1.300 1.300 peak 3268 weight 0.20000E+01 volume 0.13375E-02 ppm1 4.208 ppm2 4.527 CV 1
ASSI { 3270}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HG# ))
6.000 4.600 0.000 peak 3270 weight 0.20000E+01 volume 0.19674E-04 ppm1 4.215 ppm2 1.213 CV 1
ASSI { 3040}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HG# ))
3.600 1.600 1.600 peak 3040 weight 0.20000E+01 volume 0.42120E-03 ppm1 4.211 ppm2 1.417 CV 1
ASSI { 1847}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 4 and name HA ))
2.100 0.500 0.500 peak 1847 weight 0.20000E+01 volume 0.12728E-01 ppm1 1.675 ppm2 4.544 CV 1
ASSI { 1082}
(( segid " " and resid 4 and name HG# ))
(( segid " " and resid 4 and name HA ))
2.500 0.800 0.800 peak 1082 weight 0.20000E+01 volume 0.37468E-02 ppm1 1.229 ppm2 4.546 CV 1
ASSI { 1844}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 4 and name HG# ))
2.200 0.600 0.600 peak 1844 weight 0.20000E+01 volume 0.82803E-02 ppm1 1.674 ppm2 1.239 CV 1
ASSI { 290}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HG# ))
2.500 0.800 0.800 peak 290 weight 0.20000E+01 volume 0.38446E-02 ppm1 4.543 ppm2 1.400 CV 1
ASSI { 1845}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 4 and name HG# ))
2.100 0.600 0.600 peak 1845 weight 0.20000E+01 volume 0.98200E-02 ppm1 1.669 ppm2 1.415 CV 1
ASSI { 3289}
(( segid " " and resid 4 and name HD# ))
(( segid " " and resid 4 and name HG# ))
1.800 0.400 0.400 peak 3289 weight 0.20000E+01 volume 0.30742E-01 ppm1 1.630 ppm2 1.408 CV 1
ASSI { 556}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 5 and name HA ))
4.200 2.200 1.800 peak 556 weight 0.20000E+01 volume 0.13228E-02 ppm1 1.641 ppm2 4.740 CV 1
ASSI { 236}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB# ))
2.400 0.700 0.700 peak 236 weight 0.20000E+01 volume 0.47961E-02 ppm1 4.739 ppm2 3.031 CV 1
ASSI { 238}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB# ))
2.700 0.900 0.900 peak 238 weight 0.20000E+01 volume 0.27470E-02 ppm1 4.741 ppm2 2.635 CV 1
ASSI { 3318}
(( segid " " and resid 5 and name HB# ))
( segid " " and resid 5 and name HE% )
3.600 1.600 1.600 peak 3318 weight 0.20000E+01 volume 0.42965E-03 ppm1 3.064 ppm2 7.409 CV 1
ASSI { 922}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 5 and name HA ))
3.200 1.300 1.300 peak 922 weight 0.20000E+01 volume 0.83110E-03 ppm1 1.126 ppm2 4.744 CV 1
ASSI { 2806}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB ))
2.200 0.600 0.600 peak 2806 weight 0.20000E+01 volume 0.92695E-02 ppm1 3.716 ppm2 2.237 CV 1
ASSI { 920}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 6 and name HB ))
1.800 0.400 0.400 peak 920 weight 0.20000E+01 volume 0.28996E-01 ppm1 1.130 ppm2 2.241 CV 1
ASSI { 794}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 6 and name HA ))
2.100 0.500 0.500 peak 794 weight 0.20000E+01 volume 0.12513E-01 ppm1 1.001 ppm2 3.710 CV 1
ASSI { 3352}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 7 and name HA ))
3.900 1.900 1.900 peak 3352 weight 0.20000E+01 volume 0.26055E-03 ppm1 2.242 ppm2 4.356 CV 1
ASSI { 796}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 7 and name HA ))
3.000 1.100 1.100 peak 796 weight 0.20000E+01 volume 0.12801E-02 ppm1 1.004 ppm2 4.347 CV 1
ASSI { 78}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB# ))
2.400 0.700 0.700 peak 78 weight 0.20000E+01 volume 0.48992E-02 ppm1 4.359 ppm2 3.521 CV 1
ASSI { 2468}
(( segid " " and resid 7 and name HB# ))
( segid " " and resid 7 and name HD% )
2.600 0.900 0.900 peak 2468 weight 0.20000E+01 volume 0.28645E-02 ppm1 3.518 ppm2 7.149 CV 1
ASSI { 1700}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 5 and name HB# ))
3.100 1.200 1.200 peak 1700 weight 0.20000E+01 volume 0.10737E-02 ppm1 1.565 ppm2 2.627 CV 1
ASSI { 2507}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 8 and name HB# ))
2.700 0.900 0.900 peak 2507 weight 0.20000E+01 volume 0.24316E-02 ppm1 2.624 ppm2 1.431 CV 1
ASSI { 2470}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 8 and name HN ))
3.200 1.300 1.300 peak 2470 weight 0.20000E+01 volume 0.93585E-03 ppm1 3.518 ppm2 6.944 CV 1
ASSI { 2519}
(( segid " " and resid 8 and name HD# ))
(( segid " " and resid 8 and name HB# ))
3.200 1.300 1.300 peak 2519 weight 0.20000E+01 volume 0.83762E-03 ppm1 2.170 ppm2 1.556 CV 1
ASSI { 2520}
(( segid " " and resid 8 and name HD# ))
(( segid " " and resid 8 and name HB# ))
2.900 1.000 1.000 peak 2520 weight 0.20000E+01 volume 0.16837E-02 ppm1 2.176 ppm2 1.430 CV 1
ASSI { 3504}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 9 and name HB# ))
4.200 2.200 1.800 peak 3504 weight 0.20000E+01 volume 0.18040E-03 ppm1 2.618 ppm2 2.117 CV 1
ASSI { 2809}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HA ))
3.600 1.400 1.400 peak 2809 weight 0.20000E+01 volume 0.90917E-03 ppm1 3.716 ppm2 4.156 CV 1
ASSI { 3537}
(( segid " " and resid 9 and name HB# ))
( segid " " and resid 6 and name HG# )
3.300 1.400 1.400 peak 3537 weight 0.20000E+01 volume 0.75136E-03 ppm1 2.132 ppm2 0.996 CV 1
ASSI { 2644}
(( segid " " and resid 9 and name HG# ))
(( segid " " and resid 6 and name HA ))
2.900 1.100 1.100 peak 2644 weight 0.20000E+01 volume 0.15734E-02 ppm1 2.290 ppm2 3.718 CV 1
ASSI { 3539}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 9 and name HA ))
2.300 0.700 0.700 peak 3539 weight 0.20000E+01 volume 0.63377E-02 ppm1 2.132 ppm2 4.149 CV 1
ASSI { 3536}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 9 and name HG# ))
2.000 0.500 0.500 peak 3536 weight 0.20000E+01 volume 0.16671E-01 ppm1 2.133 ppm2 2.286 CV 1
ASSI { 1729}
(( segid " " and resid 10 and name HB# ))
( segid " " and resid 6 and name HG# )
3.200 1.300 1.300 peak 1729 weight 0.20000E+01 volume 0.87011E-03 ppm1 1.711 ppm2 0.992 CV 1
ASSI { 789}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 10 and name HB# ))
3.800 1.800 1.800 peak 789 weight 0.20000E+01 volume 0.32234E-03 ppm1 1.005 ppm2 1.480 CV 1
ASSI { 1991}
(( segid " " and resid 10 and name HG# ))
( segid " " and resid 6 and name HG# )
2.400 0.700 0.700 peak 1991 weight 0.20000E+01 volume 0.45276E-02 ppm1 2.211 ppm2 1.001 CV 1
ASSI { 1990}
(( segid " " and resid 10 and name HG# ))
( segid " " and resid 6 and name HG# )
2.700 0.900 0.900 peak 1990 weight 0.20000E+01 volume 0.25405E-02 ppm1 1.864 ppm2 0.992 CV 1
ASSI { 1723}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 7 and name HA ))
2.700 0.900 0.900 peak 1723 weight 0.20000E+01 volume 0.24793E-02 ppm1 1.715 ppm2 4.374 CV 1
ASSI { 2981}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB# ))
2.100 0.500 0.500 peak 2981 weight 0.20000E+01 volume 0.11240E-01 ppm1 3.938 ppm2 1.720 CV 1
ASSI { 1708}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 1708 weight 0.20000E+01 volume 0.87898E-02 ppm1 1.479 ppm2 3.937 CV 1
ASSI { 2979}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG# ))
2.500 0.800 0.800 peak 2979 weight 0.20000E+01 volume 0.35748E-02 ppm1 3.938 ppm2 2.198 CV 1
ASSI { 1995}
(( segid " " and resid 10 and name HG# ))
(( segid " " and resid 10 and name HB# ))
2.300 0.600 0.600 peak 1995 weight 0.20000E+01 volume 0.71589E-02 ppm1 2.205 ppm2 1.717 CV 1
ASSI { 1998}
(( segid " " and resid 10 and name HG# ))
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 1998 weight 0.20000E+01 volume 0.73961E-02 ppm1 1.867 ppm2 3.933 CV 1
ASSI { 1994}
(( segid " " and resid 10 and name HG# ))
(( segid " " and resid 10 and name HB# ))
2.100 0.500 0.500 peak 1994 weight 0.20000E+01 volume 0.11602E-01 ppm1 1.870 ppm2 1.713 CV 1
ASSI { 1705}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 10 and name HG# ))
2.000 0.500 0.500 peak 1705 weight 0.20000E+01 volume 0.15217E-01 ppm1 1.479 ppm2 1.842 CV 1
ASSI { 1710}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 11 and name HD# ))
2.900 1.000 1.000 peak 1710 weight 0.20000E+01 volume 0.16585E-02 ppm1 1.487 ppm2 6.221 CV 1
ASSI { 3315}
(( segid " " and resid 11 and name HB# ))
(( segid " " and resid 11 and name HA ))
2.900 1.100 1.100 peak 3315 weight 0.20000E+01 volume 0.15966E-02 ppm1 2.533 ppm2 5.037 CV 1
ASSI { 3092}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 11 and name HA ))
2.700 0.900 0.900 peak 3092 weight 0.20000E+01 volume 0.22718E-02 ppm1 3.913 ppm2 5.027 CV 1
ASSI { 3086}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 11 and name HA ))
2.300 0.700 0.700 peak 3086 weight 0.20000E+01 volume 0.57363E-02 ppm1 3.719 ppm2 5.031 CV 1
ASSI { 2702}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 12 and name HA ))
1.900 0.500 0.500 peak 2702 weight 0.20000E+01 volume 0.19738E-01 ppm1 2.597 ppm2 4.611 CV 1
ASSI { 3527}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 12 and name HA ))
5.400 3.700 0.600 peak 3527 weight 0.20000E+01 volume 0.36994E-04 ppm1 3.913 ppm2 4.615 CV 1
ASSI { 3528}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 12 and name HB# ))
4.700 2.800 1.300 peak 3528 weight 0.20000E+01 volume 0.85486E-04 ppm1 3.914 ppm2 2.587 CV 1
ASSI { 3525}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 12 and name HA ))
4.500 2.600 1.500 peak 3525 weight 0.20000E+01 volume 0.10959E-03 ppm1 3.721 ppm2 4.614 CV 1
ASSI { 2704}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 12 and name HD# ))
3.000 1.100 1.100 peak 2704 weight 0.20000E+01 volume 0.13408E-02 ppm1 2.597 ppm2 3.720 CV 1
ASSI { 3529}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 12 and name HG# ))
3.000 1.100 1.100 peak 3529 weight 0.20000E+01 volume 0.12939E-02 ppm1 3.913 ppm2 2.132 CV 1
ASSI { 3095}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 12 and name HG# ))
2.300 0.700 0.700 peak 3095 weight 0.20000E+01 volume 0.62330E-02 ppm1 3.730 ppm2 2.144 CV 1
ASSI { 2703}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 13 and name HA ))
3.100 1.200 1.200 peak 2703 weight 0.20000E+01 volume 0.11238E-02 ppm1 2.597 ppm2 3.952 CV 1
ASSI { 2525}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 13 and name HA ))
2.300 0.700 0.700 peak 2525 weight 0.20000E+01 volume 0.60400E-02 ppm1 3.485 ppm2 3.965 CV 1
ASSI { 2524}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 13 and name HA ))
2.400 0.700 0.700 peak 2524 weight 0.20000E+01 volume 0.47011E-02 ppm1 2.984 ppm2 3.957 CV 1
ASSI { 3338}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 13 and name HA ))
3.600 1.600 1.600 peak 3338 weight 0.20000E+01 volume 0.47177E-03 ppm1 3.767 ppm2 3.963 CV 1
ASSI { 2879}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 13 and name HD% )
2.500 0.800 0.800 peak 2879 weight 0.20000E+01 volume 0.34812E-02 ppm1 3.766 ppm2 7.292 CV 1
ASSI { 3336}
(( segid " " and resid 14 and name HB# ))
(( segid " " and resid 14 and name HA ))
2.700 0.900 0.900 peak 3336 weight 0.20000E+01 volume 0.27168E-02 ppm1 2.070 ppm2 3.760 CV 1
ASSI { 2876}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG# ))
2.300 0.700 0.700 peak 2876 weight 0.20000E+01 volume 0.66033E-02 ppm1 3.766 ppm2 2.451 CV 1
ASSI { 3337}
(( segid " " and resid 14 and name HB# ))
(( segid " " and resid 14 and name HG# ))
2.100 0.600 0.600 peak 3337 weight 0.20000E+01 volume 0.10975E-01 ppm1 2.065 ppm2 2.452 CV 1
ASSI { 1827}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 11 and name HA ))
3.300 1.300 1.300 peak 1827 weight 0.20000E+01 volume 0.76142E-03 ppm1 2.013 ppm2 5.037 CV 1
ASSI { 3514}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 15 and name HD# ))
4.100 2.100 1.900 peak 3514 weight 0.20000E+01 volume 0.20346E-03 ppm1 5.026 ppm2 1.767 CV 1
ASSI { 3524}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 15 and name HA ))
4.900 3.100 1.100 peak 3524 weight 0.20000E+01 volume 0.65535E-04 ppm1 3.719 ppm2 4.176 CV 1
ASSI { 3096}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 15 and name HB# ))
2.600 0.900 0.900 peak 3096 weight 0.20000E+01 volume 0.29270E-02 ppm1 3.727 ppm2 2.009 CV 1
ASSI { 1823}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 12 and name HD# ))
2.600 0.900 0.900 peak 1823 weight 0.20000E+01 volume 0.30271E-02 ppm1 2.014 ppm2 3.709 CV 1
ASSI { 2706}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 15 and name HD# ))
3.000 1.100 1.100 peak 2706 weight 0.20000E+01 volume 0.13746E-02 ppm1 2.603 ppm2 1.757 CV 1
ASSI { 3097}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 15 and name HD# ))
2.900 1.100 1.100 peak 3097 weight 0.20000E+01 volume 0.15879E-02 ppm1 3.716 ppm2 1.780 CV 1
ASSI { 3530}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 15 and name HG# ))
4.300 2.300 1.700 peak 3530 weight 0.20000E+01 volume 0.14818E-03 ppm1 3.721 ppm2 1.567 CV 1
ASSI { 2878}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HA ))
3.400 1.400 1.400 peak 2878 weight 0.20000E+01 volume 0.65563E-03 ppm1 3.763 ppm2 4.169 CV 1
ASSI { 1825}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 15 and name HA ))
2.000 0.500 0.500 peak 1825 weight 0.20000E+01 volume 0.14412E-01 ppm1 2.017 ppm2 4.195 CV 1
ASSI { 2412}
(( segid " " and resid 15 and name HE# ))
(( segid " " and resid 15 and name HB# ))
2.600 0.900 0.900 peak 2412 weight 0.20000E+01 volume 0.28024E-02 ppm1 3.034 ppm2 2.019 CV 1
ASSI { 2411}
(( segid " " and resid 15 and name HE# ))
(( segid " " and resid 15 and name HD# ))
2.000 0.500 0.500 peak 2411 weight 0.20000E+01 volume 0.16443E-01 ppm1 3.034 ppm2 1.772 CV 1
ASSI { 1227}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HA ))
2.600 0.800 0.800 peak 1227 weight 0.20000E+01 volume 0.32841E-02 ppm1 1.586 ppm2 4.188 CV 1
ASSI { 1821}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 15 and name HG# ))
2.100 0.600 0.600 peak 1821 weight 0.20000E+01 volume 0.10641E-01 ppm1 2.009 ppm2 1.581 CV 1
ASSI { 2934}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG# ))
2.400 0.700 0.700 peak 2934 weight 0.20000E+01 volume 0.45836E-02 ppm1 4.200 ppm2 1.498 CV 1
ASSI { 2409}
(( segid " " and resid 15 and name HE# ))
(( segid " " and resid 15 and name HG# ))
2.300 0.700 0.700 peak 2409 weight 0.20000E+01 volume 0.61021E-02 ppm1 3.034 ppm2 1.487 CV 1
ASSI { 3286}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 17 and name HB# ))
3.200 1.300 1.300 peak 3286 weight 0.20000E+01 volume 0.81427E-03 ppm1 3.966 ppm2 1.435 CV 1
ASSI { 2278}
(( segid " " and resid 17 and name HD# ))
( segid " " and resid 13 and name HE% )
2.500 0.800 0.800 peak 2278 weight 0.20000E+01 volume 0.35780E-02 ppm1 3.356 ppm2 7.153 CV 1
ASSI { 2871}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HB# ))
2.700 0.900 0.900 peak 2871 weight 0.20000E+01 volume 0.26412E-02 ppm1 3.766 ppm2 0.907 CV 1
ASSI { 2872}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HB# ))
2.400 0.700 0.700 peak 2872 weight 0.20000E+01 volume 0.48207E-02 ppm1 3.766 ppm2 1.446 CV 1
ASSI { 2874}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HG# ))
3.500 1.500 1.500 peak 2874 weight 0.20000E+01 volume 0.53259E-03 ppm1 3.766 ppm2 1.819 CV 1
ASSI { 2873}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HG# ))
4.100 2.100 1.900 peak 2873 weight 0.20000E+01 volume 0.21053E-03 ppm1 3.770 ppm2 1.735 CV 1
ASSI { 210}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB# ))
2.800 1.000 1.000 peak 210 weight 0.20000E+01 volume 0.19799E-02 ppm1 4.449 ppm2 0.911 CV 1
ASSI { 2277}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 2277 weight 0.20000E+01 volume 0.10110E-02 ppm1 3.130 ppm2 4.452 CV 1
ASSI { 2263}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HB# ))
2.600 0.800 0.800 peak 2263 weight 0.20000E+01 volume 0.34524E-02 ppm1 3.127 ppm2 1.445 CV 1
ASSI { 2276}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HA ))
2.900 1.100 1.100 peak 2276 weight 0.20000E+01 volume 0.14533E-02 ppm1 3.353 ppm2 4.439 CV 1
ASSI { 2261}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HB# ))
2.500 0.800 0.800 peak 2261 weight 0.20000E+01 volume 0.36196E-02 ppm1 3.358 ppm2 0.892 CV 1
ASSI { 213}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG# ))
2.700 0.900 0.900 peak 213 weight 0.20000E+01 volume 0.26086E-02 ppm1 4.448 ppm2 1.820 CV 1
ASSI { 2266}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HG# ))
2.300 0.700 0.700 peak 2266 weight 0.20000E+01 volume 0.65060E-02 ppm1 3.122 ppm2 1.814 CV 1
ASSI { 2267}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HG# ))
2.100 0.600 0.600 peak 2267 weight 0.20000E+01 volume 0.10792E-01 ppm1 3.353 ppm2 1.818 CV 1
ASSI { 2265}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HG# ))
2.300 0.700 0.700 peak 2265 weight 0.20000E+01 volume 0.65004E-02 ppm1 3.125 ppm2 1.747 CV 1
ASSI { 2268}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HG# ))
2.100 0.500 0.500 peak 2268 weight 0.20000E+01 volume 0.12703E-01 ppm1 3.353 ppm2 1.739 CV 1
ASSI { 1598}
(( segid " " and resid 15 and name HD# ))
(( segid " " and resid 18 and name HB# ))
3.100 1.200 1.200 peak 1598 weight 0.20000E+01 volume 0.11743E-02 ppm1 1.776 ppm2 4.013 CV 1
ASSI { 1234}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 18 and name HB# ))
3.400 1.400 1.400 peak 1234 weight 0.20000E+01 volume 0.66367E-03 ppm1 1.586 ppm2 3.984 CV 1
ASSI { 2889}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB# ))
2.000 0.500 0.500 peak 2889 weight 0.20000E+01 volume 0.17298E-01 ppm1 4.117 ppm2 2.330 CV 1
ASSI { 2753}
(( segid " " and resid 19 and name HB# ))
(( segid " " and resid 19 and name HA ))
2.200 0.600 0.600 peak 2753 weight 0.20000E+01 volume 0.75175E-02 ppm1 2.261 ppm2 4.100 CV 1
ASSI { 2657}
(( segid " " and resid 19 and name HG# ))
(( segid " " and resid 19 and name HA ))
2.200 0.600 0.600 peak 2657 weight 0.20000E+01 volume 0.95507E-02 ppm1 2.353 ppm2 4.112 CV 1
ASSI { 2004}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 18 and name HA ))
3.200 1.300 1.300 peak 2004 weight 0.20000E+01 volume 0.87267E-03 ppm1 2.008 ppm2 4.276 CV 1
ASSI { 2005}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 18 and name HA ))
3.100 1.200 1.200 peak 2005 weight 0.20000E+01 volume 0.10174E-02 ppm1 1.920 ppm2 4.263 CV 1
ASSI { 2002}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 2002 weight 0.20000E+01 volume 0.56484E-02 ppm1 2.017 ppm2 3.175 CV 1
ASSI { 2003}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 21 and name HA ))
2.300 0.700 0.700 peak 2003 weight 0.20000E+01 volume 0.58064E-02 ppm1 1.918 ppm2 3.171 CV 1
ASSI { 1813}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HE# ))
3.100 1.200 1.200 peak 1813 weight 0.20000E+01 volume 0.10791E-02 ppm1 1.923 ppm2 2.945 CV 1
ASSI { 3349}
(( segid " " and resid 22 and name HD# ))
(( segid " " and resid 22 and name HE# ))
2.300 0.700 0.700 peak 3349 weight 0.20000E+01 volume 0.63424E-02 ppm1 1.678 ppm2 2.941 CV 1
ASSI { 1263}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HA ))
2.400 0.700 0.700 peak 1263 weight 0.20000E+01 volume 0.50897E-02 ppm1 1.358 ppm2 3.873 CV 1
ASSI { 1807}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HG# ))
2.500 0.800 0.800 peak 1807 weight 0.20000E+01 volume 0.43460E-02 ppm1 1.986 ppm2 1.349 CV 1
ASSI { 2880}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG# ))
2.300 0.700 0.700 peak 2880 weight 0.20000E+01 volume 0.64458E-02 ppm1 3.885 ppm2 1.637 CV 1
ASSI { 1241}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HB# ))
2.100 0.600 0.600 peak 1241 weight 0.20000E+01 volume 0.10972E-01 ppm1 1.651 ppm2 1.945 CV 1
ASSI { 2028}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 20 and name HA# ))
2.800 1.000 1.000 peak 2028 weight 0.20000E+01 volume 0.18748E-02 ppm1 1.824 ppm2 3.086 CV 1
ASSI { 620}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 20 and name HA# ))
4.100 2.100 1.900 peak 620 weight 0.20000E+01 volume 0.19189E-03 ppm1 0.869 ppm2 3.082 CV 1
ASSI { 3555}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HG# ))
3.500 1.500 1.500 peak 3555 weight 0.20000E+01 volume 0.53467E-03 ppm1 3.760 ppm2 1.364 CV 1
ASSI { 2029}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 23 and name HA ))
2.400 0.700 0.700 peak 2029 weight 0.20000E+01 volume 0.53224E-02 ppm1 1.819 ppm2 3.753 CV 1
ASSI { 472}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 472 weight 0.20000E+01 volume 0.34386E-02 ppm1 0.874 ppm2 3.754 CV 1
ASSI { 2026}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 23 and name HG1#))
2.400 0.700 0.700 peak 2026 weight 0.20000E+01 volume 0.56405E-02 ppm1 1.821 ppm2 1.198 CV 1
ASSI { 623}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 24 and name HA ))
2.900 1.000 1.000 peak 623 weight 0.20000E+01 volume 0.17620E-02 ppm1 0.869 ppm2 4.030 CV 1
ASSI { 3570}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 24 and name HD# ))
4.600 2.600 1.400 peak 3570 weight 0.20000E+01 volume 0.10544E-03 ppm1 0.868 ppm2 2.807 CV 1
ASSI { 3571}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 24 and name HD# ))
3.700 1.700 1.700 peak 3571 weight 0.20000E+01 volume 0.38039E-03 ppm1 0.873 ppm2 3.245 CV 1
ASSI { 1546}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 24 and name HA ))
2.600 0.800 0.800 peak 1546 weight 0.20000E+01 volume 0.31065E-02 ppm1 1.625 ppm2 4.014 CV 1
ASSI { 1544}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 24 and name HD# ))
3.200 1.300 1.300 peak 1544 weight 0.20000E+01 volume 0.86810E-03 ppm1 1.698 ppm2 2.813 CV 1
ASSI { 1547}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 24 and name HD# ))
2.900 1.100 1.100 peak 1547 weight 0.20000E+01 volume 0.15038E-02 ppm1 1.625 ppm2 2.816 CV 1
ASSI { 2456}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 24 and name HA ))
2.100 0.600 0.600 peak 2456 weight 0.20000E+01 volume 0.10318E-01 ppm1 3.243 ppm2 4.017 CV 1
ASSI { 2881}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HB# ))
2.100 0.600 0.600 peak 2881 weight 0.20000E+01 volume 0.10905E-01 ppm1 3.881 ppm2 1.726 CV 1
ASSI { 3440}
(( segid " " and resid 25 and name HD# ))
(( segid " " and resid 22 and name HA ))
2.800 1.000 1.000 peak 3440 weight 0.20000E+01 volume 0.18759E-02 ppm1 1.577 ppm2 3.896 CV 1
ASSI { 2434}
(( segid " " and resid 25 and name HE# ))
(( segid " " and resid 22 and name HA ))
3.400 1.500 1.500 peak 2434 weight 0.20000E+01 volume 0.59508E-03 ppm1 2.870 ppm2 3.854 CV 1
ASSI { 1220}
(( segid " " and resid 25 and name HG# ))
(( segid " " and resid 22 and name HA ))
2.800 1.000 1.000 peak 1220 weight 0.20000E+01 volume 0.19919E-02 ppm1 1.444 ppm2 3.860 CV 1
ASSI { 3438}
(( segid " " and resid 25 and name HD# ))
(( segid " " and resid 25 and name HB# ))
1.900 0.500 0.500 peak 3438 weight 0.20000E+01 volume 0.18935E-01 ppm1 1.582 ppm2 1.776 CV 1
ASSI { 2429}
(( segid " " and resid 25 and name HE# ))
(( segid " " and resid 25 and name HG# ))
2.500 0.800 0.800 peak 2429 weight 0.20000E+01 volume 0.39149E-02 ppm1 2.870 ppm2 1.325 CV 1
ASSI { 1219}
(( segid " " and resid 25 and name HG# ))
(( segid " " and resid 25 and name HA ))
2.400 0.700 0.700 peak 1219 weight 0.20000E+01 volume 0.48207E-02 ppm1 1.444 ppm2 3.968 CV 1
ASSI { 3441}
(( segid " " and resid 25 and name HD# ))
(( segid " " and resid 25 and name HN ))
3.600 1.700 1.700 peak 3441 weight 0.20000E+01 volume 0.41420E-03 ppm1 1.573 ppm2 7.351 CV 1
ASSI { 2420}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 22 and name HD# ))
3.300 1.300 1.300 peak 2420 weight 0.20000E+01 volume 0.77561E-03 ppm1 2.770 ppm2 1.701 CV 1
ASSI { 43}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HB# ))
3.100 1.200 1.200 peak 43 weight 0.20000E+01 volume 0.11393E-02 ppm1 3.759 ppm2 1.463 CV 1
ASSI { 1618}
(( segid " " and resid 26 and name HD# ))
(( segid " " and resid 26 and name HA ))
2.800 1.000 1.000 peak 1618 weight 0.20000E+01 volume 0.20967E-02 ppm1 1.388 ppm2 3.791 CV 1
ASSI { 2418}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HD# ))
2.000 0.500 0.500 peak 2418 weight 0.20000E+01 volume 0.13719E-01 ppm1 2.808 ppm2 1.416 CV 1
ASSI { 2419}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HD# ))
2.000 0.500 0.500 peak 2419 weight 0.20000E+01 volume 0.14698E-01 ppm1 2.762 ppm2 1.403 CV 1
ASSI { 1143}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 26 and name HA ))
2.600 0.900 0.900 peak 1143 weight 0.20000E+01 volume 0.30302E-02 ppm1 0.523 ppm2 3.791 CV 1
ASSI { 1867}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 26 and name HG# ))
2.500 0.800 0.800 peak 1867 weight 0.20000E+01 volume 0.34742E-02 ppm1 1.482 ppm2 0.515 CV 1
ASSI { 1140}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 26 and name HB# ))
2.400 0.700 0.700 peak 1140 weight 0.20000E+01 volume 0.49707E-02 ppm1 0.519 ppm2 1.222 CV 1
ASSI { 1614}
(( segid " " and resid 26 and name HD# ))
(( segid " " and resid 26 and name HG# ))
2.500 0.800 0.800 peak 1614 weight 0.20000E+01 volume 0.41153E-02 ppm1 1.384 ppm2 0.510 CV 1
ASSI { 1615}
(( segid " " and resid 26 and name HD# ))
(( segid " " and resid 26 and name HG# ))
2.500 0.800 0.800 peak 1615 weight 0.20000E+01 volume 0.43673E-02 ppm1 1.444 ppm2 0.510 CV 1
ASSI { 1137}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 26 and name HA ))
2.300 0.700 0.700 peak 1137 weight 0.20000E+01 volume 0.61426E-02 ppm1 0.923 ppm2 3.809 CV 1
ASSI { 1869}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 26 and name HG# ))
2.400 0.700 0.700 peak 1869 weight 0.20000E+01 volume 0.46252E-02 ppm1 1.230 ppm2 0.914 CV 1
ASSI { 2592}
(( segid " " and resid 27 and name HB# ))
( segid " " and resid 23 and name HG# )
3.400 1.400 1.400 peak 2592 weight 0.20000E+01 volume 0.67343E-03 ppm1 2.653 ppm2 0.870 CV 1
ASSI { 3554}
( segid " " and resid 23 and name HD# )
( segid " " and resid 27 and name HD% )
3.300 1.400 1.400 peak 3554 weight 0.20000E+01 volume 0.72650E-03 ppm1 0.879 ppm2 7.149 CV 1
ASSI { 2032}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 27 and name HE% )
3.400 1.500 1.500 peak 2032 weight 0.20000E+01 volume 0.57215E-03 ppm1 1.827 ppm2 6.733 CV 1
ASSI { 475}
( segid " " and resid 23 and name HD# )
( segid " " and resid 27 and name HE% )
2.700 0.900 0.900 peak 475 weight 0.20000E+01 volume 0.25663E-02 ppm1 0.883 ppm2 6.733 CV 1
ASSI { 1647}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 27 and name HE% )
3.200 1.300 1.300 peak 1647 weight 0.20000E+01 volume 0.90184E-03 ppm1 1.207 ppm2 6.735 CV 1
ASSI { 1144}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 27 and name HA ))
3.300 1.400 1.400 peak 1144 weight 0.20000E+01 volume 0.71798E-03 ppm1 0.519 ppm2 5.079 CV 1
ASSI { 1878}
(( segid " " and resid 26 and name HB# ))
( segid " " and resid 27 and name HE% )
2.900 1.100 1.100 peak 1878 weight 0.20000E+01 volume 0.14742E-02 ppm1 1.229 ppm2 6.731 CV 1
ASSI { 2421}
(( segid " " and resid 26 and name HE# ))
( segid " " and resid 27 and name HE% )
2.600 0.800 0.800 peak 2421 weight 0.20000E+01 volume 0.33409E-02 ppm1 2.764 ppm2 6.743 CV 1
ASSI { 359}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB# ))
2.500 0.800 0.800 peak 359 weight 0.20000E+01 volume 0.36230E-02 ppm1 5.097 ppm2 2.895 CV 1
ASSI { 2607}
(( segid " " and resid 27 and name HB# ))
( segid " " and resid 27 and name HD% )
2.400 0.700 0.700 peak 2607 weight 0.20000E+01 volume 0.51028E-02 ppm1 2.656 ppm2 7.160 CV 1
ASSI { 2606}
(( segid " " and resid 27 and name HB# ))
( segid " " and resid 27 and name HE% )
3.200 1.300 1.300 peak 2606 weight 0.20000E+01 volume 0.90391E-03 ppm1 2.656 ppm2 6.740 CV 1
ASSI { 2952}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 28 and name HD# ))
3.600 1.600 1.600 peak 2952 weight 0.20000E+01 volume 0.44336E-03 ppm1 3.809 ppm2 3.286 CV 1
ASSI { 3172}
(( segid " " and resid 28 and name HD# ))
( segid " " and resid 27 and name HD% )
2.900 1.100 1.100 peak 3172 weight 0.20000E+01 volume 0.15777E-02 ppm1 3.623 ppm2 7.171 CV 1
ASSI { 49}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB# ))
2.000 0.500 0.500 peak 49 weight 0.20000E+01 volume 0.15494E-01 ppm1 4.442 ppm2 1.936 CV 1
ASSI { 3168}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 28 and name HA ))
2.700 0.900 0.900 peak 3168 weight 0.20000E+01 volume 0.25432E-02 ppm1 3.286 ppm2 4.448 CV 1
ASSI { 1752}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 28 and name HD# ))
2.500 0.800 0.800 peak 1752 weight 0.20000E+01 volume 0.35553E-02 ppm1 1.935 ppm2 3.287 CV 1
ASSI { 2725}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 28 and name HD# ))
2.500 0.800 0.800 peak 2725 weight 0.20000E+01 volume 0.37780E-02 ppm1 2.315 ppm2 3.296 CV 1
ASSI { 3169}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 28 and name HA ))
3.400 1.400 1.400 peak 3169 weight 0.20000E+01 volume 0.62889E-03 ppm1 3.619 ppm2 4.452 CV 1
ASSI { 1753}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 28 and name HD# ))
2.600 0.800 0.800 peak 1753 weight 0.20000E+01 volume 0.31882E-02 ppm1 1.930 ppm2 3.614 CV 1
ASSI { 2726}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 28 and name HD# ))
2.900 1.000 1.000 peak 2726 weight 0.20000E+01 volume 0.17556E-02 ppm1 2.323 ppm2 3.624 CV 1
ASSI { 1472}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 28 and name HA ))
2.500 0.800 0.800 peak 1472 weight 0.20000E+01 volume 0.38484E-02 ppm1 1.892 ppm2 4.438 CV 1
ASSI { 370}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB# ))
2.100 0.500 0.500 peak 370 weight 0.20000E+01 volume 0.12587E-01 ppm1 4.673 ppm2 2.845 CV 1
ASSI { 2593}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HB# ))
2.900 1.100 1.100 peak 2593 weight 0.20000E+01 volume 0.15771E-02 ppm1 2.653 ppm2 1.123 CV 1
ASSI { 2599}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HD# ))
3.000 1.100 1.100 peak 2599 weight 0.20000E+01 volume 0.14279E-02 ppm1 2.647 ppm2 2.439 CV 1
ASSI { 2600}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HD# ))
3.100 1.200 1.200 peak 2600 weight 0.20000E+01 volume 0.11319E-02 ppm1 2.903 ppm2 2.443 CV 1
ASSI { 2302}
(( segid " " and resid 30 and name HD# ))
( segid " " and resid 27 and name HD% )
2.800 1.000 1.000 peak 2302 weight 0.20000E+01 volume 0.20508E-02 ppm1 2.440 ppm2 7.149 CV 1
ASSI { 2301}
(( segid " " and resid 30 and name HD# ))
( segid " " and resid 27 and name HD% )
3.000 1.100 1.100 peak 2301 weight 0.20000E+01 volume 0.13599E-02 ppm1 2.676 ppm2 7.162 CV 1
ASSI { 2594}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HG# ))
2.900 1.100 1.100 peak 2594 weight 0.20000E+01 volume 0.15240E-02 ppm1 2.662 ppm2 1.290 CV 1
ASSI { 2596}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HG# ))
3.100 1.200 1.200 peak 2596 weight 0.20000E+01 volume 0.11210E-02 ppm1 2.906 ppm2 1.290 CV 1
ASSI { 1442}
(( segid " " and resid 30 and name HG# ))
( segid " " and resid 27 and name HD% )
3.100 1.200 1.200 peak 1442 weight 0.20000E+01 volume 0.10715E-02 ppm1 1.298 ppm2 7.158 CV 1
ASSI { 346}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB# ))
2.500 0.800 0.800 peak 346 weight 0.20000E+01 volume 0.35526E-02 ppm1 4.914 ppm2 1.121 CV 1
ASSI { 1909}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 1909 weight 0.20000E+01 volume 0.26370E-02 ppm1 1.424 ppm2 4.895 CV 1
ASSI { 2297}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 2297 weight 0.20000E+01 volume 0.22366E-02 ppm1 2.442 ppm2 4.912 CV 1
ASSI { 1906}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 30 and name HD# ))
3.100 1.200 1.200 peak 1906 weight 0.20000E+01 volume 0.10558E-02 ppm1 1.424 ppm2 2.445 CV 1
ASSI { 2298}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HA ))
2.400 0.700 0.700 peak 2298 weight 0.20000E+01 volume 0.45963E-02 ppm1 2.671 ppm2 4.905 CV 1
ASSI { 2289}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HB# ))
2.400 0.700 0.700 peak 2289 weight 0.20000E+01 volume 0.55891E-02 ppm1 2.674 ppm2 1.110 CV 1
ASSI { 1438}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 30 and name HA ))
2.400 0.700 0.700 peak 1438 weight 0.20000E+01 volume 0.49885E-02 ppm1 1.298 ppm2 4.909 CV 1
ASSI { 2290}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HG# ))
2.200 0.600 0.600 peak 2290 weight 0.20000E+01 volume 0.79662E-02 ppm1 2.674 ppm2 1.286 CV 1
ASSI { 344}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG# ))
2.400 0.700 0.700 peak 344 weight 0.20000E+01 volume 0.53066E-02 ppm1 4.912 ppm2 1.424 CV 1
ASSI { 1450}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 30 and name HB# ))
2.000 0.500 0.500 peak 1450 weight 0.20000E+01 volume 0.15055E-01 ppm1 1.440 ppm2 1.138 CV 1
ASSI { 624}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 31 and name HA ))
3.200 1.300 1.300 peak 624 weight 0.20000E+01 volume 0.91389E-03 ppm1 0.866 ppm2 4.137 CV 1
ASSI { 2454}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 31 and name HA ))
3.000 1.100 1.100 peak 2454 weight 0.20000E+01 volume 0.12760E-02 ppm1 2.806 ppm2 4.147 CV 1
ASSI { 2455}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 31 and name HA ))
2.700 0.900 0.900 peak 2455 weight 0.20000E+01 volume 0.22645E-02 ppm1 3.243 ppm2 4.139 CV 1
ASSI { 349}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.200 0.600 0.600 peak 349 weight 0.20000E+01 volume 0.88179E-02 ppm1 4.905 ppm2 9.137 CV 1
ASSI { 1918}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 1918 weight 0.20000E+01 volume 0.10207E-02 ppm1 1.121 ppm2 9.141 CV 1
ASSI { 2303}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 31 and name HN ))
3.600 1.600 1.600 peak 2303 weight 0.20000E+01 volume 0.43727E-03 ppm1 2.445 ppm2 9.113 CV 1
ASSI { 2304}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 2304 weight 0.20000E+01 volume 0.12661E-02 ppm1 2.672 ppm2 9.127 CV 1
ASSI { 658}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 31 and name HA ))
2.400 0.700 0.700 peak 658 weight 0.20000E+01 volume 0.45127E-02 ppm1 0.411 ppm2 4.157 CV 1
ASSI { 1887}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 1887 weight 0.20000E+01 volume 0.17513E-02 ppm1 1.388 ppm2 9.116 CV 1
ASSI { 474}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 32 and name HA ))
3.400 1.400 1.400 peak 474 weight 0.20000E+01 volume 0.62078E-03 ppm1 0.874 ppm2 5.114 CV 1
ASSI { 625}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 32 and name HA ))
2.900 1.000 1.000 peak 625 weight 0.20000E+01 volume 0.17543E-02 ppm1 0.872 ppm2 5.137 CV 1
ASSI { 621}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 32 and name HD# ))
2.800 1.000 1.000 peak 621 weight 0.20000E+01 volume 0.17824E-02 ppm1 0.865 ppm2 3.383 CV 1
ASSI { 617}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 32 and name HG# ))
2.900 1.100 1.100 peak 617 weight 0.20000E+01 volume 0.14559E-02 ppm1 0.878 ppm2 2.507 CV 1
ASSI { 2027}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 32 and name HG# ))
3.000 1.100 1.100 peak 2027 weight 0.20000E+01 volume 0.12954E-02 ppm1 1.819 ppm2 1.428 CV 1
ASSI { 2452}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 32 and name HD# ))
2.400 0.700 0.700 peak 2452 weight 0.20000E+01 volume 0.52661E-02 ppm1 2.795 ppm2 3.359 CV 1
ASSI { 2451}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 32 and name HD# ))
2.400 0.700 0.700 peak 2451 weight 0.20000E+01 volume 0.46769E-02 ppm1 3.246 ppm2 3.351 CV 1
ASSI { 3138}
(( segid " " and resid 32 and name HD# ))
(( segid " " and resid 24 and name HD# ))
3.600 1.600 1.600 peak 3138 weight 0.20000E+01 volume 0.42639E-03 ppm1 3.332 ppm2 2.798 CV 1
ASSI { 822}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 32 and name HD# ))
2.500 0.800 0.800 peak 822 weight 0.20000E+01 volume 0.44015E-02 ppm1 0.377 ppm2 3.388 CV 1
ASSI { 1881}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HD# ))
2.600 0.900 0.900 peak 1881 weight 0.20000E+01 volume 0.27702E-02 ppm1 1.391 ppm2 3.345 CV 1
ASSI { 3128}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 31 and name HG# )
2.900 1.000 1.000 peak 3128 weight 0.20000E+01 volume 0.16807E-02 ppm1 3.338 ppm2 0.391 CV 1
ASSI { 1737}
(( segid " " and resid 32 and name HB# ))
(( segid " " and resid 32 and name HD# ))
3.000 1.100 1.100 peak 1737 weight 0.20000E+01 volume 0.13479E-02 ppm1 1.590 ppm2 3.389 CV 1
ASSI { 3135}
(( segid " " and resid 32 and name HD# ))
(( segid " " and resid 32 and name HG# ))
2.800 0.900 0.900 peak 3135 weight 0.20000E+01 volume 0.22016E-02 ppm1 3.401 ppm2 2.525 CV 1
ASSI { 2783}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 32 and name HD# ))
2.400 0.700 0.700 peak 2783 weight 0.20000E+01 volume 0.46943E-02 ppm1 2.528 ppm2 3.363 CV 1
ASSI { 1271}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 32 and name HB# ))
2.600 0.800 0.800 peak 1271 weight 0.20000E+01 volume 0.34444E-02 ppm1 1.436 ppm2 1.849 CV 1
ASSI { 3306}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 31 and name HG# )
3.800 1.800 1.800 peak 3306 weight 0.20000E+01 volume 0.30197E-03 ppm1 5.112 ppm2 0.425 CV 1
ASSI { 1883}
(( segid " " and resid 31 and name HB ))
( segid " " and resid 33 and name HG# )
2.600 0.800 0.800 peak 1883 weight 0.20000E+01 volume 0.32625E-02 ppm1 1.384 ppm2 0.569 CV 1
ASSI { 816}
( segid " " and resid 31 and name HG# )
( segid " " and resid 33 and name HG# )
2.300 0.600 0.600 peak 816 weight 0.20000E+01 volume 0.72997E-02 ppm1 0.375 ppm2 0.577 CV 1
ASSI { 870}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 33 and name HB ))
2.100 0.500 0.500 peak 870 weight 0.20000E+01 volume 0.11731E-01 ppm1 0.639 ppm2 1.729 CV 1
ASSI { 190}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
3.300 1.300 1.300 peak 190 weight 0.20000E+01 volume 0.78144E-03 ppm1 5.101 ppm2 8.880 CV 1
ASSI { 885}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 33 and name HN ))
2.600 0.800 0.800 peak 885 weight 0.20000E+01 volume 0.34137E-02 ppm1 0.644 ppm2 8.876 CV 1
ASSI { 888}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 888 weight 0.20000E+01 volume 0.46536E-02 ppm1 0.583 ppm2 8.883 CV 1
ASSI { 572}
( segid " " and resid 34 and name HG# )
( segid " " and resid 5 and name HD% )
2.600 0.900 0.900 peak 572 weight 0.20000E+01 volume 0.27638E-02 ppm1 0.647 ppm2 7.203 CV 1
ASSI { 2464}
(( segid " " and resid 7 and name HB# ))
( segid " " and resid 34 and name HG# )
2.700 0.900 0.900 peak 2464 weight 0.20000E+01 volume 0.22054E-02 ppm1 3.515 ppm2 0.641 CV 1
ASSI { 566}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 7 and name HB# ))
2.700 0.900 0.900 peak 566 weight 0.20000E+01 volume 0.23519E-02 ppm1 0.634 ppm2 2.718 CV 1
ASSI { 1695}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 34 and name HB ))
2.400 0.700 0.700 peak 1695 weight 0.20000E+01 volume 0.45022E-02 ppm1 1.430 ppm2 1.264 CV 1
ASSI { 889}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 889 weight 0.20000E+01 volume 0.13231E-02 ppm1 0.583 ppm2 8.774 CV 1
ASSI { 2014}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 34 and name HA ))
3.000 1.100 1.100 peak 2014 weight 0.20000E+01 volume 0.12494E-02 ppm1 1.266 ppm2 4.938 CV 1
ASSI { 433}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 34 and name HA ))
2.200 0.600 0.600 peak 433 weight 0.20000E+01 volume 0.86664E-02 ppm1 -0.563 ppm2 4.939 CV 1
ASSI { 2012}
(( segid " " and resid 34 and name HB ))
( segid " " and resid 34 and name HD# )
2.900 1.000 1.000 peak 2012 weight 0.20000E+01 volume 0.16921E-02 ppm1 1.268 ppm2 -0.566 CV 1
ASSI { 1256}
(( segid " " and resid 34 and name HG1#))
(( segid " " and resid 34 and name HA ))
3.100 1.200 1.200 peak 1256 weight 0.20000E+01 volume 0.11482E-02 ppm1 0.540 ppm2 4.901 CV 1
ASSI { 1252}
(( segid " " and resid 34 and name HG1#))
(( segid " " and resid 34 and name HB ))
2.700 0.900 0.900 peak 1252 weight 0.20000E+01 volume 0.23469E-02 ppm1 0.536 ppm2 1.266 CV 1
ASSI { 426}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 34 and name HG1#))
2.300 0.600 0.600 peak 426 weight 0.20000E+01 volume 0.70211E-02 ppm1 -0.559 ppm2 0.531 CV 1
ASSI { 425}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 34 and name HG1#))
2.400 0.700 0.700 peak 425 weight 0.20000E+01 volume 0.49791E-02 ppm1 -0.568 ppm2 0.089 CV 1
ASSI { 1259}
(( segid " " and resid 34 and name HG1#))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 1259 weight 0.20000E+01 volume 0.10710E-02 ppm1 0.097 ppm2 8.774 CV 1
ASSI { 3588}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 34 and name HA ))
4.400 2.400 1.600 peak 3588 weight 0.20000E+01 volume 0.12788E-03 ppm1 2.045 ppm2 4.911 CV 1
ASSI { 917}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 34 and name HN ))
3.500 1.600 1.600 peak 917 weight 0.20000E+01 volume 0.49186E-03 ppm1 0.816 ppm2 8.775 CV 1
ASSI { 263}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.200 0.600 0.600 peak 263 weight 0.20000E+01 volume 0.94572E-02 ppm1 4.932 ppm2 9.113 CV 1
ASSI { 439}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 439 weight 0.20000E+01 volume 0.17417E-02 ppm1 -0.559 ppm2 9.116 CV 1
ASSI { 573}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 35 and name HN ))
2.700 0.900 0.900 peak 573 weight 0.20000E+01 volume 0.22321E-02 ppm1 0.651 ppm2 9.116 CV 1
ASSI { 3238}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB ))
2.800 1.000 1.000 peak 3238 weight 0.20000E+01 volume 0.18126E-02 ppm1 5.735 ppm2 2.050 CV 1
ASSI { 3240}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 3240 weight 0.20000E+01 volume 0.14664E-02 ppm1 5.735 ppm2 9.126 CV 1
ASSI { 956}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 35 and name HN ))
2.800 1.000 1.000 peak 956 weight 0.20000E+01 volume 0.18600E-02 ppm1 0.902 ppm2 9.120 CV 1
ASSI { 2646}
(( segid " " and resid 36 and name HB# ))
( segid " " and resid 3 and name HE% )
2.600 0.800 0.800 peak 2646 weight 0.20000E+01 volume 0.31265E-02 ppm1 2.290 ppm2 1.628 CV 1
ASSI { 3205}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 34 and name HG# )
4.400 2.500 1.600 peak 3205 weight 0.20000E+01 volume 0.12553E-03 ppm1 4.973 ppm2 0.648 CV 1
ASSI { 3264}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 35 and name HA ))
3.400 1.400 1.400 peak 3264 weight 0.20000E+01 volume 0.67322E-03 ppm1 4.977 ppm2 5.736 CV 1
ASSI { 945}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 36 and name HA ))
2.900 1.100 1.100 peak 945 weight 0.20000E+01 volume 0.15163E-02 ppm1 0.898 ppm2 4.985 CV 1
ASSI { 308}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB# ))
2.300 0.700 0.700 peak 308 weight 0.20000E+01 volume 0.57165E-02 ppm1 4.976 ppm2 2.278 CV 1
ASSI { 307}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB# ))
2.500 0.800 0.800 peak 307 weight 0.20000E+01 volume 0.35395E-02 ppm1 4.975 ppm2 1.897 CV 1
ASSI { 2561}
(( segid " " and resid 36 and name HG# ))
(( segid " " and resid 36 and name HB# ))
2.300 0.700 0.700 peak 2561 weight 0.20000E+01 volume 0.58807E-02 ppm1 2.608 ppm2 1.902 CV 1
ASSI { 1985}
(( segid " " and resid 36 and name HB# ))
(( segid " " and resid 36 and name HG# ))
2.300 0.700 0.700 peak 1985 weight 0.20000E+01 volume 0.56796E-02 ppm1 1.908 ppm2 2.609 CV 1
ASSI { 2650}
(( segid " " and resid 36 and name HB# ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 2650 weight 0.20000E+01 volume 0.13530E-02 ppm1 2.287 ppm2 8.694 CV 1
ASSI { 1832}
(( segid " " and resid 37 and name HB# ))
(( segid " " and resid 37 and name HE# ))
2.100 0.500 0.500 peak 1832 weight 0.20000E+01 volume 0.11328E-01 ppm1 1.574 ppm2 3.029 CV 1
ASSI { 1830}
(( segid " " and resid 37 and name HB# ))
(( segid " " and resid 37 and name HG# ))
2.300 0.600 0.600 peak 1830 weight 0.20000E+01 volume 0.68607E-02 ppm1 1.578 ppm2 0.851 CV 1
ASSI { 1624}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 37 and name HG# ))
2.300 0.600 0.600 peak 1624 weight 0.20000E+01 volume 0.70485E-02 ppm1 1.655 ppm2 0.851 CV 1
ASSI { 1640}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 37 and name HG# ))
2.100 0.600 0.600 peak 1640 weight 0.20000E+01 volume 0.10272E-01 ppm1 1.491 ppm2 0.875 CV 1
ASSI { 554}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 38 and name HA ))
2.900 1.000 1.000 peak 554 weight 0.20000E+01 volume 0.17722E-02 ppm1 1.642 ppm2 4.412 CV 1
ASSI { 545}
( segid " " and resid 3 and name HE% )
( segid " " and resid 38 and name HB% )
2.700 0.900 0.900 peak 545 weight 0.20000E+01 volume 0.35289E-02 ppm1 1.644 ppm2 1.205 CV 1
ASSI { 595}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 38 and name HA ))
2.000 0.500 0.500 peak 595 weight 0.20000E+01 volume 0.16155E-01 ppm1 1.194 ppm2 4.420 CV 1
ASSI { 3271}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 39 and name HD# ))
4.700 2.700 1.300 peak 3271 weight 0.20000E+01 volume 0.93800E-04 ppm1 1.644 ppm2 3.334 CV 1
ASSI { 3267}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 39 and name HG# ))
3.300 1.400 1.400 peak 3267 weight 0.20000E+01 volume 0.68916E-03 ppm1 4.207 ppm2 2.005 CV 1
ASSI { 3519}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 4 and name HB# ))
2.900 1.100 1.100 peak 3519 weight 0.20000E+01 volume 0.15898E-02 ppm1 2.032 ppm2 1.675 CV 1
ASSI { 3520}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 4 and name HB# ))
3.100 1.200 1.200 peak 3520 weight 0.20000E+01 volume 0.11266E-02 ppm1 1.988 ppm2 1.688 CV 1
ASSI { 1523}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 38 and name HA ))
3.000 1.100 1.100 peak 1523 weight 0.20000E+01 volume 0.13283E-02 ppm1 2.036 ppm2 4.405 CV 1
ASSI { 1524}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 38 and name HA ))
2.900 1.000 1.000 peak 1524 weight 0.20000E+01 volume 0.16201E-02 ppm1 1.991 ppm2 4.403 CV 1
ASSI { 26}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB# ))
2.100 0.500 0.500 peak 26 weight 0.20000E+01 volume 0.12603E-01 ppm1 4.230 ppm2 2.309 CV 1
ASSI { 18}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HD# ))
2.600 0.800 0.800 peak 18 weight 0.20000E+01 volume 0.31053E-02 ppm1 4.247 ppm2 3.867 CV 1
ASSI { 1770}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 39 and name HD# ))
2.800 1.000 1.000 peak 1770 weight 0.20000E+01 volume 0.20705E-02 ppm1 1.810 ppm2 3.854 CV 1
ASSI { 2727}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 39 and name HD# ))
2.900 1.100 1.100 peak 2727 weight 0.20000E+01 volume 0.15702E-02 ppm1 2.323 ppm2 3.848 CV 1
ASSI { 1769}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 39 and name HD# ))
2.800 1.000 1.000 peak 1769 weight 0.20000E+01 volume 0.20826E-02 ppm1 1.810 ppm2 3.329 CV 1
ASSI { 1512}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 39 and name HB# ))
2.200 0.600 0.600 peak 1512 weight 0.20000E+01 volume 0.89187E-02 ppm1 2.025 ppm2 2.305 CV 1
ASSI { 3123}
(( segid " " and resid 39 and name HD# ))
(( segid " " and resid 39 and name HG# ))
2.200 0.600 0.600 peak 3123 weight 0.20000E+01 volume 0.81746E-02 ppm1 3.856 ppm2 2.008 CV 1
ASSI { 1513}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 39 and name HB# ))
2.100 0.600 0.600 peak 1513 weight 0.20000E+01 volume 0.98238E-02 ppm1 1.991 ppm2 2.309 CV 1
ASSI { 1519}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 39 and name HD# ))
2.300 0.600 0.600 peak 1519 weight 0.20000E+01 volume 0.71136E-02 ppm1 1.995 ppm2 3.852 CV 1
ASSI { 1517}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 39 and name HD# ))
2.300 0.600 0.600 peak 1517 weight 0.20000E+01 volume 0.68619E-02 ppm1 1.995 ppm2 3.333 CV 1
ASSI { 1771}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 119 and name HA ))
2.600 0.800 0.800 peak 1771 weight 0.20000E+01 volume 0.30724E-02 ppm1 1.819 ppm2 4.040 CV 1
ASSI { 761}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 37 and name HG# ))
2.300 0.700 0.700 peak 761 weight 0.20000E+01 volume 0.66696E-02 ppm1 1.605 ppm2 0.857 CV 1
ASSI { 379}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 38 and name HB% )
3.200 1.300 1.300 peak 379 weight 0.20000E+01 volume 0.84995E-03 ppm1 4.480 ppm2 1.196 CV 1
ASSI { 588}
( segid " " and resid 38 and name HB% )
( segid " " and resid 41 and name HB% )
1.900 0.500 0.500 peak 588 weight 0.20000E+01 volume 0.19001E-01 ppm1 1.194 ppm2 1.589 CV 1
ASSI { 754}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 41 and name HA ))
1.800 0.400 0.400 peak 754 weight 0.20000E+01 volume 0.24702E-01 ppm1 1.610 ppm2 4.477 CV 1
ASSI { 411}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HG# ))
2.500 0.800 0.800 peak 411 weight 0.20000E+01 volume 0.40906E-02 ppm1 4.480 ppm2 1.702 CV 1
ASSI { 276}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB# ))
2.100 0.600 0.600 peak 276 weight 0.20000E+01 volume 0.10844E-01 ppm1 4.469 ppm2 2.006 CV 1
ASSI { 274}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HD# ))
4.000 2.000 2.000 peak 274 weight 0.20000E+01 volume 0.22903E-03 ppm1 4.477 ppm2 3.288 CV 1
ASSI { 1637}
(( segid " " and resid 42 and name HB# ))
(( segid " " and resid 42 and name HD# ))
2.900 1.100 1.100 peak 1637 weight 0.20000E+01 volume 0.14956E-02 ppm1 1.999 ppm2 3.293 CV 1
ASSI { 1634}
(( segid " " and resid 42 and name HB# ))
(( segid " " and resid 42 and name HD# ))
2.800 1.000 1.000 peak 1634 weight 0.20000E+01 volume 0.18155E-02 ppm1 1.896 ppm2 3.300 CV 1
ASSI { 275}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HD# ))
4.400 2.400 1.600 peak 275 weight 0.20000E+01 volume 0.13828E-03 ppm1 4.472 ppm2 3.171 CV 1
ASSI { 2319}
(( segid " " and resid 42 and name HD# ))
(( segid " " and resid 42 and name HB# ))
2.400 0.700 0.700 peak 2319 weight 0.20000E+01 volume 0.52014E-02 ppm1 3.185 ppm2 2.014 CV 1
ASSI { 2318}
(( segid " " and resid 42 and name HD# ))
(( segid " " and resid 42 and name HB# ))
2.300 0.700 0.700 peak 2318 weight 0.20000E+01 volume 0.65852E-02 ppm1 3.182 ppm2 1.888 CV 1
ASSI { 1464}
(( segid " " and resid 42 and name HG# ))
(( segid " " and resid 42 and name HB# ))
2.100 0.500 0.500 peak 1464 weight 0.20000E+01 volume 0.11928E-01 ppm1 1.702 ppm2 1.983 CV 1
ASSI { 1638}
(( segid " " and resid 42 and name HB# ))
(( segid " " and resid 42 and name HG# ))
1.900 0.500 0.500 peak 1638 weight 0.20000E+01 volume 0.18431E-01 ppm1 1.887 ppm2 1.708 CV 1
ASSI { 1463}
(( segid " " and resid 42 and name HG# ))
(( segid " " and resid 42 and name HD# ))
2.300 0.600 0.600 peak 1463 weight 0.20000E+01 volume 0.72171E-02 ppm1 1.702 ppm2 3.303 CV 1
ASSI { 2317}
(( segid " " and resid 42 and name HD# ))
(( segid " " and resid 42 and name HG# ))
2.000 0.500 0.500 peak 2317 weight 0.20000E+01 volume 0.16006E-01 ppm1 3.185 ppm2 1.708 CV 1
ASSI { 2054}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 37 and name HG# ))
2.700 0.900 0.900 peak 2054 weight 0.20000E+01 volume 0.23608E-02 ppm1 2.072 ppm2 0.890 CV 1
ASSI { 3023}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 43 and name HD# )
3.000 1.100 1.100 peak 3023 weight 0.20000E+01 volume 0.12342E-02 ppm1 3.060 ppm2 1.142 CV 1
ASSI { 1831}
(( segid " " and resid 37 and name HB# ))
( segid " " and resid 43 and name HD# )
3.000 1.200 1.200 peak 1831 weight 0.20000E+01 volume 0.12040E-02 ppm1 1.578 ppm2 1.125 CV 1
ASSI { 3516}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 37 and name HE# ))
3.800 1.800 1.800 peak 3516 weight 0.20000E+01 volume 0.30253E-03 ppm1 1.139 ppm2 3.004 CV 1
ASSI { 977}
(( segid " " and resid 37 and name HG# ))
( segid " " and resid 43 and name HD# )
3.000 1.100 1.100 peak 977 weight 0.20000E+01 volume 0.13490E-02 ppm1 1.664 ppm2 1.133 CV 1
ASSI { 505}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 37 and name HG# ))
1.800 0.400 0.400 peak 505 weight 0.20000E+01 volume 0.31233E-01 ppm1 1.141 ppm2 0.839 CV 1
ASSI { 1348}
(( segid " " and resid 43 and name HG1#))
(( segid " " and resid 37 and name HG# ))
2.100 0.600 0.600 peak 1348 weight 0.20000E+01 volume 0.10801E-01 ppm1 1.767 ppm2 0.868 CV 1
ASSI { 3543}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 42 and name HB# ))
4.000 2.000 2.000 peak 3543 weight 0.20000E+01 volume 0.22958E-03 ppm1 4.436 ppm2 1.877 CV 1
ASSI { 157}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB ))
2.100 0.500 0.500 peak 157 weight 0.20000E+01 volume 0.14225E-01 ppm1 4.442 ppm2 2.066 CV 1
ASSI { 509}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 43 and name HB ))
2.200 0.600 0.600 peak 509 weight 0.20000E+01 volume 0.93225E-02 ppm1 1.141 ppm2 2.066 CV 1
ASSI { 508}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 43 and name HG1#))
2.000 0.500 0.500 peak 508 weight 0.20000E+01 volume 0.14575E-01 ppm1 1.137 ppm2 1.757 CV 1
ASSI { 634}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 43 and name HB ))
2.000 0.500 0.500 peak 634 weight 0.20000E+01 volume 0.15062E-01 ppm1 1.110 ppm2 2.066 CV 1
ASSI { 2227}
(( segid " " and resid 44 and name HA# ))
(( segid " " and resid 43 and name HA ))
3.100 1.200 1.200 peak 2227 weight 0.20000E+01 volume 0.10291E-02 ppm1 4.087 ppm2 4.427 CV 1
ASSI { 1833}
(( segid " " and resid 37 and name HB# ))
(( segid " " and resid 45 and name HA ))
2.900 1.100 1.100 peak 1833 weight 0.20000E+01 volume 0.15202E-02 ppm1 1.582 ppm2 4.773 CV 1
ASSI { 333}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 37 and name HD# ))
2.800 1.000 1.000 peak 333 weight 0.20000E+01 volume 0.19351E-02 ppm1 4.783 ppm2 1.493 CV 1
ASSI { 1607}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 45 and name HB# ))
2.800 0.900 0.900 peak 1607 weight 0.20000E+01 volume 0.21871E-02 ppm1 1.496 ppm2 2.555 CV 1
ASSI { 2225}
(( segid " " and resid 44 and name HA# ))
(( segid " " and resid 45 and name HA ))
3.300 1.400 1.400 peak 2225 weight 0.20000E+01 volume 0.68050E-03 ppm1 3.853 ppm2 4.780 CV 1
ASSI { 2228}
(( segid " " and resid 44 and name HA# ))
(( segid " " and resid 45 and name HA ))
3.300 1.400 1.400 peak 2228 weight 0.20000E+01 volume 0.75441E-03 ppm1 4.082 ppm2 4.780 CV 1
ASSI { 2359}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 45 and name HA ))
2.100 0.500 0.500 peak 2359 weight 0.20000E+01 volume 0.12453E-01 ppm1 2.737 ppm2 4.775 CV 1
ASSI { 2358}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 45 and name HA ))
2.100 0.500 0.500 peak 2358 weight 0.20000E+01 volume 0.11716E-01 ppm1 2.528 ppm2 4.766 CV 1
ASSI { 2158}
(( segid " " and resid 46 and name HB# ))
(( segid " " and resid 46 and name HA ))
2.200 0.600 0.600 peak 2158 weight 0.20000E+01 volume 0.77103E-02 ppm1 1.830 ppm2 4.423 CV 1
ASSI { 2157}
(( segid " " and resid 46 and name HB# ))
( segid " " and resid 46 and name HD# )
2.100 0.500 0.500 peak 2157 weight 0.20000E+01 volume 0.11463E-01 ppm1 1.824 ppm2 0.972 CV 1
ASSI { 404}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HD# )
2.200 0.600 0.600 peak 404 weight 0.20000E+01 volume 0.76720E-02 ppm1 4.417 ppm2 0.911 CV 1
ASSI { 2156}
(( segid " " and resid 46 and name HB# ))
( segid " " and resid 46 and name HD# )
2.100 0.500 0.500 peak 2156 weight 0.20000E+01 volume 0.11616E-01 ppm1 1.824 ppm2 0.896 CV 1
ASSI { 3046}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB# ))
1.700 0.400 0.500 peak 3046 weight 0.20000E+01 volume 0.33590E-01 ppm1 4.389 ppm2 2.791 CV 1
ASSI { 296}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HD# ))
3.600 1.600 1.600 peak 296 weight 0.20000E+01 volume 0.46886E-03 ppm1 4.492 ppm2 1.378 CV 1
ASSI { 2398}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HD# ))
2.500 0.800 0.800 peak 2398 weight 0.20000E+01 volume 0.39520E-02 ppm1 2.566 ppm2 1.492 CV 1
ASSI { 2397}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HD# ))
2.500 0.800 0.800 peak 2397 weight 0.20000E+01 volume 0.43617E-02 ppm1 2.564 ppm2 1.380 CV 1
ASSI { 1611}
(( segid " " and resid 48 and name HD# ))
(( segid " " and resid 48 and name HG# ))
2.300 0.600 0.600 peak 1611 weight 0.20000E+01 volume 0.71994E-02 ppm1 1.380 ppm2 1.157 CV 1
ASSI { 2394}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HG# ))
2.500 0.800 0.800 peak 2394 weight 0.20000E+01 volume 0.42773E-02 ppm1 2.563 ppm2 1.144 CV 1
ASSI { 1043}
(( segid " " and resid 48 and name HG# ))
(( segid " " and resid 48 and name HA ))
2.700 0.900 0.900 peak 1043 weight 0.20000E+01 volume 0.23596E-02 ppm1 0.678 ppm2 4.506 CV 1
ASSI { 1904}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 48 and name HG# ))
2.400 0.700 0.700 peak 1904 weight 0.20000E+01 volume 0.52917E-02 ppm1 1.641 ppm2 0.672 CV 1
ASSI { 1609}
(( segid " " and resid 48 and name HD# ))
(( segid " " and resid 48 and name HG# ))
2.500 0.800 0.800 peak 1609 weight 0.20000E+01 volume 0.34839E-02 ppm1 1.491 ppm2 0.683 CV 1
ASSI { 2392}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HG# ))
2.400 0.700 0.700 peak 2392 weight 0.20000E+01 volume 0.47258E-02 ppm1 2.663 ppm2 0.678 CV 1
ASSI { 2393}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HG# ))
2.400 0.700 0.700 peak 2393 weight 0.20000E+01 volume 0.44426E-02 ppm1 2.561 ppm2 0.678 CV 1
ASSI { 3275}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 49 and name HE# ))
3.800 1.800 1.800 peak 3275 weight 0.20000E+01 volume 0.33849E-03 ppm1 2.245 ppm2 3.224 CV 1
ASSI { 2376}
(( segid " " and resid 49 and name HE# ))
( segid " " and resid 6 and name HG# )
3.500 1.500 1.500 peak 2376 weight 0.20000E+01 volume 0.51348E-03 ppm1 3.240 ppm2 0.997 CV 1
ASSI { 1676}
(( segid " " and resid 49 and name HD# ))
( segid " " and resid 7 and name HD% )
2.700 0.900 0.900 peak 1676 weight 0.20000E+01 volume 0.22958E-02 ppm1 2.014 ppm2 7.162 CV 1
ASSI { 1675}
(( segid " " and resid 49 and name HD# ))
( segid " " and resid 7 and name HD% )
2.900 1.000 1.000 peak 1675 weight 0.20000E+01 volume 0.17477E-02 ppm1 2.016 ppm2 7.043 CV 1
ASSI { 3510}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 49 and name HB# ))
3.000 1.200 1.200 peak 3510 weight 0.20000E+01 volume 0.12142E-02 ppm1 1.562 ppm2 1.954 CV 1
ASSI { 3511}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 49 and name HB# ))
2.800 1.000 1.000 peak 3511 weight 0.20000E+01 volume 0.24039E-02 ppm1 1.433 ppm2 1.946 CV 1
ASSI { 2380}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 10 and name HG# ))
2.500 0.800 0.800 peak 2380 weight 0.20000E+01 volume 0.39325E-02 ppm1 3.240 ppm2 2.179 CV 1
OR { 2380}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 49 and name HB# ))
ASSI { 1945}
(( segid " " and resid 49 and name HB# ))
( segid " " and resid 34 and name HG# )
3.100 1.200 1.200 peak 1945 weight 0.20000E+01 volume 0.11539E-02 ppm1 1.952 ppm2 0.635 CV 1
ASSI { 3290}
(( segid " " and resid 49 and name HE# ))
( segid " " and resid 34 and name HG# )
4.600 2.600 1.400 peak 3290 weight 0.20000E+01 volume 0.10530E-03 ppm1 3.231 ppm2 0.666 CV 1
ASSI { 3587}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 49 and name HA ))
3.000 1.100 1.100 peak 3587 weight 0.20000E+01 volume 0.13037E-02 ppm1 2.043 ppm2 5.036 CV 1
ASSI { 3580}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 49 and name HA ))
4.000 2.000 2.000 peak 3580 weight 0.20000E+01 volume 0.24974E-03 ppm1 0.899 ppm2 5.036 CV 1
ASSI { 3221}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 3221 weight 0.20000E+01 volume 0.16477E-02 ppm1 5.021 ppm2 9.111 CV 1
ASSI { 2382}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 36 and name HA ))
3.000 1.100 1.100 peak 2382 weight 0.20000E+01 volume 0.12328E-02 ppm1 3.237 ppm2 4.980 CV 1
ASSI { 306}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 49 and name HG# ))
4.300 2.300 1.700 peak 306 weight 0.20000E+01 volume 0.15463E-03 ppm1 4.973 ppm2 1.598 CV 1
ASSI { 2159}
(( segid " " and resid 46 and name HB# ))
(( segid " " and resid 49 and name HA ))
3.200 1.300 1.300 peak 2159 weight 0.20000E+01 volume 0.89435E-03 ppm1 1.832 ppm2 5.038 CV 1
ASSI { 1190}
( segid " " and resid 46 and name HD# )
(( segid " " and resid 49 and name HA ))
3.100 1.200 1.200 peak 1190 weight 0.20000E+01 volume 0.10311E-02 ppm1 0.898 ppm2 5.029 CV 1
ASSI { 298}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HA ))
4.100 2.100 1.900 peak 298 weight 0.20000E+01 volume 0.19425E-03 ppm1 4.496 ppm2 5.035 CV 1
ASSI { 1959}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 49 and name HA ))
2.600 0.800 0.800 peak 1959 weight 0.20000E+01 volume 0.32474E-02 ppm1 1.955 ppm2 5.039 CV 1
ASSI { 1952}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 49 and name HA ))
2.600 0.800 0.800 peak 1952 weight 0.20000E+01 volume 0.32954E-02 ppm1 2.142 ppm2 5.030 CV 1
ASSI { 1958}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 49 and name HE# ))
3.000 1.200 1.200 peak 1958 weight 0.20000E+01 volume 0.12065E-02 ppm1 1.955 ppm2 3.230 CV 1
ASSI { 1951}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 49 and name HE# ))
3.100 1.200 1.200 peak 1951 weight 0.20000E+01 volume 0.10896E-02 ppm1 2.142 ppm2 3.241 CV 1
ASSI { 2379}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 49 and name HD# ))
1.900 0.500 0.500 peak 2379 weight 0.20000E+01 volume 0.18691E-01 ppm1 3.240 ppm2 2.020 CV 1
ASSI { 2377}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 49 and name HG# ))
2.400 0.700 0.700 peak 2377 weight 0.20000E+01 volume 0.47065E-02 ppm1 3.232 ppm2 1.596 CV 1
ASSI { 1233}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 49 and name HA ))
2.700 0.900 0.900 peak 1233 weight 0.20000E+01 volume 0.23529E-02 ppm1 1.750 ppm2 5.028 CV 1
ASSI { 1956}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 49 and name HG# ))
2.400 0.800 0.800 peak 1956 weight 0.20000E+01 volume 0.44118E-02 ppm1 1.955 ppm2 1.751 CV 1
ASSI { 1237}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 49 and name HB# ))
2.500 0.800 0.800 peak 1237 weight 0.20000E+01 volume 0.35294E-02 ppm1 1.750 ppm2 2.150 CV 1
ASSI { 2378}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 49 and name HG# ))
2.400 0.700 0.700 peak 2378 weight 0.20000E+01 volume 0.50325E-02 ppm1 3.235 ppm2 1.747 CV 1
ASSI { 3488}
(( segid " " and resid 50 and name HD# ))
( segid " " and resid 7 and name HE% )
3.800 1.900 1.900 peak 3488 weight 0.20000E+01 volume 0.29366E-03 ppm1 1.536 ppm2 6.178 CV 1
ASSI { 3501}
(( segid " " and resid 50 and name HD# ))
( segid " " and resid 23 and name HD# )
3.600 1.600 1.600 peak 3501 weight 0.20000E+01 volume 0.45618E-03 ppm1 1.614 ppm2 0.871 CV 1
ASSI { 3196}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 34 and name HA ))
2.400 0.700 0.700 peak 3196 weight 0.20000E+01 volume 0.52905E-02 ppm1 5.122 ppm2 4.927 CV 1
ASSI { 434}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 50 and name HA ))
2.200 0.600 0.600 peak 434 weight 0.20000E+01 volume 0.82594E-02 ppm1 -0.565 ppm2 5.111 CV 1
ASSI { 1920}
(( segid " " and resid 50 and name HB# ))
( segid " " and resid 34 and name HD# )
2.800 0.900 0.900 peak 1920 weight 0.20000E+01 volume 0.21822E-02 ppm1 1.650 ppm2 -0.576 CV 1
ASSI { 3497}
(( segid " " and resid 50 and name HD# ))
( segid " " and resid 34 and name HD# )
3.200 1.300 1.300 peak 3497 weight 0.20000E+01 volume 0.83928E-03 ppm1 1.535 ppm2 -0.567 CV 1
ASSI { 3498}
(( segid " " and resid 50 and name HD# ))
( segid " " and resid 34 and name HD# )
3.200 1.300 1.300 peak 3498 weight 0.20000E+01 volume 0.82349E-03 ppm1 1.617 ppm2 -0.558 CV 1
ASSI { 428}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 50 and name HG# ))
3.000 1.100 1.100 peak 428 weight 0.20000E+01 volume 0.12312E-02 ppm1 -0.555 ppm2 1.007 CV 1
ASSI { 3198}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 35 and name HN ))
3.400 1.400 1.400 peak 3198 weight 0.20000E+01 volume 0.15490E-02 ppm1 5.122 ppm2 9.118 CV 1
ASSI { 3201}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB# ))
2.100 0.600 0.600 peak 3201 weight 0.20000E+01 volume 0.10814E-01 ppm1 5.122 ppm2 1.223 CV 1
ASSI { 1922}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 50 and name HD# ))
2.300 0.700 0.700 peak 1922 weight 0.20000E+01 volume 0.61309E-02 ppm1 1.237 ppm2 1.547 CV 1
ASSI { 2492}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HD# ))
2.000 0.500 0.500 peak 2492 weight 0.20000E+01 volume 0.15639E-01 ppm1 2.767 ppm2 1.554 CV 1
ASSI { 1924}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 50 and name HE# ))
2.600 0.900 0.900 peak 1924 weight 0.20000E+01 volume 0.29437E-02 ppm1 1.251 ppm2 2.764 CV 1
ASSI { 3493}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HE# ))
2.300 0.700 0.700 peak 3493 weight 0.20000E+01 volume 0.58990E-02 ppm1 1.617 ppm2 2.776 CV 1
ASSI { 1076}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 50 and name HA ))
2.600 0.800 0.800 peak 1076 weight 0.20000E+01 volume 0.34389E-02 ppm1 1.203 ppm2 5.124 CV 1
ASSI { 3499}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HG# ))
2.200 0.600 0.600 peak 3499 weight 0.20000E+01 volume 0.83445E-02 ppm1 1.617 ppm2 1.197 CV 1
ASSI { 3202}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG# ))
2.600 0.800 0.800 peak 3202 weight 0.20000E+01 volume 0.34632E-02 ppm1 5.127 ppm2 1.014 CV 1
ASSI { 1921}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 50 and name HG# ))
2.300 0.700 0.700 peak 1921 weight 0.20000E+01 volume 0.58466E-02 ppm1 1.245 ppm2 1.012 CV 1
ASSI { 1060}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 50 and name HD# ))
2.500 0.800 0.800 peak 1060 weight 0.20000E+01 volume 0.39803E-02 ppm1 1.018 ppm2 1.522 CV 1
ASSI { 3500}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HG# ))
2.500 0.800 0.800 peak 3500 weight 0.20000E+01 volume 0.38830E-02 ppm1 1.618 ppm2 1.011 CV 1
ASSI { 1977}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 51 and name HA ))
3.300 1.300 1.300 peak 1977 weight 0.20000E+01 volume 0.76370E-03 ppm1 1.757 ppm2 4.472 CV 1
ASSI { 1976}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 51 and name HB# ))
2.600 0.800 0.800 peak 1976 weight 0.20000E+01 volume 0.32423E-02 ppm1 1.748 ppm2 2.835 CV 1
ASSI { 1975}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 51 and name HB# ))
2.400 0.700 0.700 peak 1975 weight 0.20000E+01 volume 0.51093E-02 ppm1 1.746 ppm2 2.655 CV 1
ASSI { 872}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 51 and name HB# ))
3.100 1.200 1.200 peak 872 weight 0.20000E+01 volume 0.10396E-02 ppm1 0.635 ppm2 2.651 CV 1
ASSI { 897}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 51 and name HB# ))
3.100 1.200 1.200 peak 897 weight 0.20000E+01 volume 0.97731E-03 ppm1 0.579 ppm2 2.651 CV 1
ASSI { 943}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 51 and name HB# ))
3.000 1.100 1.100 peak 943 weight 0.20000E+01 volume 0.13765E-02 ppm1 0.900 ppm2 2.840 CV 1
ASSI { 952}
( segid " " and resid 35 and name HG# )
( segid " " and resid 51 and name HD% )
3.100 1.200 1.200 peak 952 weight 0.20000E+01 volume 0.98611E-03 ppm1 0.902 ppm2 7.062 CV 1
ASSI { 1187}
( segid " " and resid 46 and name HD# )
( segid " " and resid 51 and name HD% )
3.500 1.600 1.600 peak 1187 weight 0.20000E+01 volume 0.48396E-03 ppm1 0.903 ppm2 7.071 CV 1
ASSI { 2404}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 51 and name HA ))
2.700 0.900 0.900 peak 2404 weight 0.20000E+01 volume 0.22961E-02 ppm1 2.563 ppm2 4.452 CV 1
ASSI { 2408}
(( segid " " and resid 48 and name HE# ))
( segid " " and resid 51 and name HD% )
2.800 1.000 1.000 peak 2408 weight 0.20000E+01 volume 0.19489E-02 ppm1 2.563 ppm2 7.065 CV 1
ASSI { 251}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB# ))
2.200 0.600 0.600 peak 251 weight 0.20000E+01 volume 0.76171E-02 ppm1 4.464 ppm2 2.822 CV 1
ASSI { 3572}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 52 and name HA ))
5.200 3.400 0.800 peak 3572 weight 0.20000E+01 volume 0.49117E-04 ppm1 0.868 ppm2 4.856 CV 1
ASSI { 40}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 52 and name HD# )
4.000 2.000 2.000 peak 40 weight 0.20000E+01 volume 0.24634E-03 ppm1 3.751 ppm2 0.468 CV 1
ASSI { 464}
( segid " " and resid 23 and name HD# )
( segid " " and resid 52 and name HD# )
2.200 0.600 0.600 peak 464 weight 0.20000E+01 volume 0.76262E-02 ppm1 0.879 ppm2 0.483 CV 1
ASSI { 612}
( segid " " and resid 23 and name HG# )
( segid " " and resid 52 and name HD# )
2.000 0.500 0.500 peak 612 weight 0.20000E+01 volume 0.15740E-01 ppm1 0.869 ppm2 0.475 CV 1
ASSI { 1653}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 52 and name HD# )
2.900 1.100 1.100 peak 1653 weight 0.20000E+01 volume 0.15161E-02 ppm1 1.813 ppm2 0.455 CV 1
ASSI { 1406}
(( segid " " and resid 52 and name HG ))
( segid " " and resid 23 and name HG# )
2.400 0.700 0.700 peak 1406 weight 0.20000E+01 volume 0.51584E-02 ppm1 1.083 ppm2 0.843 CV 1
ASSI { 2597}
(( segid " " and resid 27 and name HB# ))
( segid " " and resid 52 and name HD# )
3.000 1.100 1.100 peak 2597 weight 0.20000E+01 volume 0.12713E-02 ppm1 2.653 ppm2 0.478 CV 1
ASSI { 1022}
( segid " " and resid 52 and name HD# )
( segid " " and resid 27 and name HE% )
2.900 1.000 1.000 peak 1022 weight 0.20000E+01 volume 0.17535E-02 ppm1 0.493 ppm2 6.743 CV 1
ASSI { 2598}
(( segid " " and resid 27 and name HB# ))
( segid " " and resid 52 and name HD# )
2.900 1.100 1.100 peak 2598 weight 0.20000E+01 volume 0.15100E-02 ppm1 2.909 ppm2 0.445 CV 1
ASSI { 1017}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 30 and name HD# ))
4.400 2.400 1.600 peak 1017 weight 0.20000E+01 volume 0.13529E-03 ppm1 0.499 ppm2 2.448 CV 1
ASSI { 3553}
(( segid " " and resid 30 and name HG# ))
( segid " " and resid 52 and name HD# )
3.100 1.200 1.200 peak 3553 weight 0.20000E+01 volume 0.10934E-02 ppm1 1.441 ppm2 0.461 CV 1
ASSI { 2286}
(( segid " " and resid 30 and name HD# ))
( segid " " and resid 52 and name HD# )
2.600 0.900 0.900 peak 2286 weight 0.20000E+01 volume 0.28798E-02 ppm1 2.441 ppm2 0.456 CV 1
ASSI { 3567}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 52 and name HG ))
2.800 1.000 1.000 peak 3567 weight 0.20000E+01 volume 0.18311E-02 ppm1 2.442 ppm2 1.075 CV 1
ASSI { 132}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 52 and name HA ))
2.400 0.700 0.700 peak 132 weight 0.20000E+01 volume 0.52324E-02 ppm1 5.130 ppm2 4.872 CV 1
ASSI { 1019}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 32 and name HD# ))
6.000 6.000 0.000 peak 1019 weight 0.20000E+01 volume 0.52650E-05 ppm1 0.493 ppm2 3.388 CV 1
ASSI { 1149}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 32 and name HA ))
2.600 0.800 0.800 peak 1149 weight 0.20000E+01 volume 0.30763E-02 ppm1 0.441 ppm2 5.124 CV 1
ASSI { 1730}
(( segid " " and resid 32 and name HB# ))
( segid " " and resid 52 and name HD# )
2.800 0.900 0.900 peak 1730 weight 0.20000E+01 volume 0.21994E-02 ppm1 1.595 ppm2 0.465 CV 1
ASSI { 355}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 33 and name HN ))
3.200 1.300 1.300 peak 355 weight 0.20000E+01 volume 0.87496E-03 ppm1 4.866 ppm2 8.880 CV 1
ASSI { 1025}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 33 and name HN ))
3.200 1.300 1.300 peak 1025 weight 0.20000E+01 volume 0.92186E-03 ppm1 0.497 ppm2 8.896 CV 1
ASSI { 2099}
(( segid " " and resid 52 and name HB# ))
(( segid " " and resid 52 and name HA ))
2.500 0.800 0.800 peak 2099 weight 0.20000E+01 volume 0.42094E-02 ppm1 1.266 ppm2 4.863 CV 1
ASSI { 1150}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HA ))
2.500 0.800 0.800 peak 1150 weight 0.20000E+01 volume 0.40076E-02 ppm1 0.441 ppm2 4.868 CV 1
ASSI { 2094}
(( segid " " and resid 52 and name HB# ))
( segid " " and resid 52 and name HD# )
2.200 0.600 0.600 peak 2094 weight 0.20000E+01 volume 0.81859E-02 ppm1 1.340 ppm2 0.456 CV 1
ASSI { 1410}
(( segid " " and resid 52 and name HG ))
(( segid " " and resid 52 and name HA ))
2.700 0.900 0.900 peak 1410 weight 0.20000E+01 volume 0.27509E-02 ppm1 1.070 ppm2 4.872 CV 1
ASSI { 1011}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HG ))
2.200 0.600 0.600 peak 1011 weight 0.20000E+01 volume 0.79149E-02 ppm1 0.493 ppm2 1.075 CV 1
ASSI { 1405}
(( segid " " and resid 52 and name HG ))
( segid " " and resid 52 and name HD# )
1.800 0.400 0.400 peak 1405 weight 0.20000E+01 volume 0.28246E-01 ppm1 1.089 ppm2 0.455 CV 1
ASSI { 3596}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 53 and name HA ))
3.900 1.900 1.900 peak 3596 weight 0.20000E+01 volume 0.28812E-03 ppm1 2.437 ppm2 4.814 CV 1
ASSI { 3597}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 53 and name HA ))
3.700 1.700 1.700 peak 3597 weight 0.20000E+01 volume 0.39688E-03 ppm1 2.674 ppm2 4.818 CV 1
ASSI { 722}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 33 and name HB ))
2.800 1.000 1.000 peak 722 weight 0.20000E+01 volume 0.19742E-02 ppm1 0.566 ppm2 1.740 CV 1
ASSI { 863}
( segid " " and resid 33 and name HG# )
( segid " " and resid 53 and name HG# )
2.100 0.600 0.600 peak 863 weight 0.20000E+01 volume 0.10383E-01 ppm1 0.588 ppm2 0.832 CV 1
ASSI { 856}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 33 and name HN ))
4.000 2.000 2.000 peak 856 weight 0.20000E+01 volume 0.23727E-03 ppm1 0.859 ppm2 8.878 CV 1
ASSI { 725}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 51 and name HB# ))
2.900 1.100 1.100 peak 725 weight 0.20000E+01 volume 0.14647E-02 ppm1 0.566 ppm2 2.656 CV 1
ASSI { 735}
( segid " " and resid 53 and name HG# )
( segid " " and resid 51 and name HD% )
2.900 1.100 1.100 peak 735 weight 0.20000E+01 volume 0.14747E-02 ppm1 0.562 ppm2 7.073 CV 1
ASSI { 837}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 51 and name HB# ))
3.000 1.100 1.100 peak 837 weight 0.20000E+01 volume 0.12438E-02 ppm1 0.863 ppm2 2.651 CV 1
ASSI { 2100}
(( segid " " and resid 52 and name HB# ))
(( segid " " and resid 53 and name HN ))
3.000 1.200 1.200 peak 2100 weight 0.20000E+01 volume 0.12238E-02 ppm1 1.337 ppm2 8.410 CV 1
ASSI { 1023}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 53 and name HN ))
2.800 1.000 1.000 peak 1023 weight 0.20000E+01 volume 0.18428E-02 ppm1 0.497 ppm2 8.402 CV 1
ASSI { 1411}
(( segid " " and resid 52 and name HG ))
(( segid " " and resid 53 and name HN ))
3.500 1.500 1.500 peak 1411 weight 0.20000E+01 volume 0.52026E-03 ppm1 1.070 ppm2 8.402 CV 1
ASSI { 200}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB ))
2.400 0.700 0.700 peak 200 weight 0.20000E+01 volume 0.47340E-02 ppm1 4.820 ppm2 1.961 CV 1
ASSI { 1850}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 53 and name HG# )
2.100 0.500 0.500 peak 1850 weight 0.20000E+01 volume 0.11304E-01 ppm1 1.971 ppm2 0.874 CV 1
ASSI { 203}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
3.200 1.300 1.300 peak 203 weight 0.20000E+01 volume 0.94645E-03 ppm1 4.814 ppm2 8.414 CV 1
ASSI { 855}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 53 and name HN ))
2.800 1.000 1.000 peak 855 weight 0.20000E+01 volume 0.17853E-02 ppm1 0.859 ppm2 8.404 CV 1
ASSI { 56}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 30 and name HA ))
2.400 0.700 0.700 peak 56 weight 0.20000E+01 volume 0.47597E-02 ppm1 4.485 ppm2 4.896 CV 1
ASSI { 1916}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 54 and name HA ))
3.300 1.400 1.400 peak 1916 weight 0.20000E+01 volume 0.70925E-03 ppm1 1.132 ppm2 4.493 CV 1
ASSI { 2294}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 54 and name HA ))
3.100 1.200 1.200 peak 2294 weight 0.20000E+01 volume 0.98601E-03 ppm1 2.434 ppm2 4.486 CV 1
ASSI { 1437}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 54 and name HA ))
2.700 0.900 0.900 peak 1437 weight 0.20000E+01 volume 0.25169E-02 ppm1 1.293 ppm2 4.486 CV 1
ASSI { 2715}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 30 and name HA ))
3.100 1.200 1.200 peak 2715 weight 0.20000E+01 volume 0.99252E-03 ppm1 2.546 ppm2 4.900 CV 1
ASSI { 64}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 31 and name HN ))
3.400 1.400 1.400 peak 64 weight 0.20000E+01 volume 0.62910E-03 ppm1 4.489 ppm2 9.137 CV 1
ASSI { 202}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HD# ))
2.100 0.600 0.600 peak 202 weight 0.20000E+01 volume 0.10549E-01 ppm1 4.824 ppm2 3.987 CV 1
ASSI { 728}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 54 and name HD# ))
3.200 1.300 1.300 peak 728 weight 0.20000E+01 volume 0.87703E-03 ppm1 0.562 ppm2 4.014 CV 1
ASSI { 3085}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 53 and name HA ))
2.400 0.700 0.700 peak 3085 weight 0.20000E+01 volume 0.46743E-02 ppm1 3.562 ppm2 4.817 CV 1
ASSI { 1538}
(( segid " " and resid 54 and name HG# ))
(( segid " " and resid 53 and name HA ))
3.100 1.200 1.200 peak 1538 weight 0.20000E+01 volume 0.11049E-02 ppm1 1.900 ppm2 4.826 CV 1
ASSI { 3561}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HG# ))
4.100 2.100 1.900 peak 3561 weight 0.20000E+01 volume 0.19148E-03 ppm1 4.828 ppm2 2.234 CV 1
ASSI { 2714}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 54 and name HA ))
2.300 0.600 0.600 peak 2714 weight 0.20000E+01 volume 0.70884E-02 ppm1 2.546 ppm2 4.488 CV 1
ASSI { 61}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB# ))
2.400 0.700 0.700 peak 61 weight 0.20000E+01 volume 0.44792E-02 ppm1 4.479 ppm2 2.006 CV 1
ASSI { 3526}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 54 and name HA ))
4.600 2.600 1.400 peak 3526 weight 0.20000E+01 volume 0.10177E-03 ppm1 4.013 ppm2 4.454 CV 1
ASSI { 3531}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 54 and name HA ))
4.400 2.400 1.600 peak 3531 weight 0.20000E+01 volume 0.12740E-03 ppm1 3.571 ppm2 4.482 CV 1
ASSI { 60}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HG# ))
2.500 0.800 0.800 peak 60 weight 0.20000E+01 volume 0.38820E-02 ppm1 4.487 ppm2 1.926 CV 1
ASSI { 2709}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 54 and name HG# ))
2.200 0.600 0.600 peak 2709 weight 0.20000E+01 volume 0.95741E-02 ppm1 2.552 ppm2 1.900 CV 1
ASSI { 1535}
(( segid " " and resid 54 and name HG# ))
(( segid " " and resid 54 and name HD# ))
2.600 0.900 0.900 peak 1535 weight 0.20000E+01 volume 0.28417E-02 ppm1 1.896 ppm2 3.554 CV 1
ASSI { 1818}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 54 and name HG# ))
2.300 0.600 0.600 peak 1818 weight 0.20000E+01 volume 0.68593E-02 ppm1 2.008 ppm2 2.230 CV 1
ASSI { 3082}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 54 and name HG# ))
2.600 0.800 0.800 peak 3082 weight 0.20000E+01 volume 0.33456E-02 ppm1 4.003 ppm2 2.226 CV 1
ASSI { 2813}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 29 and name HA ))
3.100 1.200 1.200 peak 2813 weight 0.20000E+01 volume 0.11156E-02 ppm1 3.720 ppm2 4.680 CV 1
ASSI { 2816}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 29 and name HB# ))
3.800 1.800 1.800 peak 2816 weight 0.20000E+01 volume 0.31569E-03 ppm1 3.716 ppm2 2.657 CV 1
ASSI { 2812}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 29 and name HA ))
3.000 1.100 1.100 peak 2812 weight 0.20000E+01 volume 0.12263E-02 ppm1 3.651 ppm2 4.673 CV 1
ASSI { 2815}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 30 and name HA ))
3.200 1.300 1.300 peak 2815 weight 0.20000E+01 volume 0.81947E-03 ppm1 3.641 ppm2 4.905 CV 1
ASSI { 2820}
(( segid " " and resid 55 and name HB# ))
( segid " " and resid 31 and name HG# )
2.400 0.700 0.700 peak 2820 weight 0.20000E+01 volume 0.50687E-02 ppm1 3.713 ppm2 0.394 CV 1
ASSI { 2821}
(( segid " " and resid 55 and name HB# ))
( segid " " and resid 31 and name HG# )
2.400 0.700 0.700 peak 2821 weight 0.20000E+01 volume 0.48199E-02 ppm1 3.648 ppm2 0.397 CV 1
ASSI { 2499}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 56 and name HA ))
2.000 0.500 0.500 peak 2499 weight 0.20000E+01 volume 0.13012E-01 ppm1 2.789 ppm2 4.526 CV 1
ASSI { 2500}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 56 and name HA ))
2.100 0.500 0.500 peak 2500 weight 0.20000E+01 volume 0.11524E-01 ppm1 2.685 ppm2 4.530 CV 1
ASSI { 1332}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 53 and name HA ))
3.300 1.300 1.300 peak 1332 weight 0.20000E+01 volume 0.78490E-03 ppm1 0.902 ppm2 4.831 CV 1
ASSI { 1318}
( segid " " and resid 57 and name HD# )
( segid " " and resid 53 and name HG# )
2.600 0.800 0.800 peak 1318 weight 0.20000E+01 volume 0.34093E-02 ppm1 0.906 ppm2 0.556 CV 1
ASSI { 3076}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 57 and name HB# ))
4.600 2.700 1.400 peak 3076 weight 0.20000E+01 volume 0.96220E-04 ppm1 3.551 ppm2 1.722 CV 1
ASSI { 2146}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 54 and name HB# ))
3.000 1.100 1.100 peak 2146 weight 0.20000E+01 volume 0.12649E-02 ppm1 1.486 ppm2 2.546 CV 1
ASSI { 3075}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 57 and name HB# ))
2.900 1.000 1.000 peak 3075 weight 0.20000E+01 volume 0.17144E-02 ppm1 4.017 ppm2 1.462 CV 1
ASSI { 3074}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 57 and name HB# ))
3.500 1.500 1.500 peak 3074 weight 0.20000E+01 volume 0.52609E-03 ppm1 3.558 ppm2 1.488 CV 1
ASSI { 3002}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB# ))
2.400 0.700 0.700 peak 3002 weight 0.20000E+01 volume 0.51645E-02 ppm1 4.275 ppm2 1.713 CV 1
ASSI { 3003}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB# ))
2.300 0.700 0.700 peak 3003 weight 0.20000E+01 volume 0.57972E-02 ppm1 4.275 ppm2 1.485 CV 1
ASSI { 1321}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 57 and name HB# ))
2.100 0.500 0.500 peak 1321 weight 0.20000E+01 volume 0.11320E-01 ppm1 0.898 ppm2 1.696 CV 1
ASSI { 2134}
(( segid " " and resid 57 and name HB# ))
( segid " " and resid 57 and name HD# )
2.300 0.700 0.700 peak 2134 weight 0.20000E+01 volume 0.61564E-02 ppm1 1.494 ppm2 0.869 CV 1
ASSI { 1180}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 57 and name HA ))
2.000 0.500 0.500 peak 1180 weight 0.20000E+01 volume 0.12912E-01 ppm1 0.997 ppm2 4.270 CV 1
ASSI { 1177}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 57 and name HB# ))
2.500 0.800 0.800 peak 1177 weight 0.20000E+01 volume 0.39062E-02 ppm1 1.001 ppm2 1.682 CV 1
ASSI { 1374}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 57 and name HB# ))
2.500 0.800 0.800 peak 1374 weight 0.20000E+01 volume 0.36864E-02 ppm1 2.034 ppm2 1.729 CV 1
ASSI { 1373}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 57 and name HB# ))
3.000 1.100 1.100 peak 1373 weight 0.20000E+01 volume 0.13523E-02 ppm1 2.034 ppm2 1.485 CV 1
ASSI { 1322}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 57 and name HG ))
1.800 0.400 0.400 peak 1322 weight 0.20000E+01 volume 0.25903E-01 ppm1 0.898 ppm2 2.030 CV 1
ASSI { 2999}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
2.400 0.700 0.700 peak 2999 weight 0.20000E+01 volume 0.45903E-02 ppm1 4.275 ppm2 7.459 CV 1
ASSI { 1335}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 57 and name HN ))
2.900 1.100 1.100 peak 1335 weight 0.20000E+01 volume 0.14702E-02 ppm1 0.898 ppm2 7.460 CV 1
ASSI { 3417}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 58 and name HA ))
2.000 0.500 0.500 peak 3417 weight 0.20000E+01 volume 0.14517E-01 ppm1 1.265 ppm2 4.981 CV 1
ASSI { 3416}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 58 and name HB ))
2.000 0.500 0.500 peak 3416 weight 0.20000E+01 volume 0.13943E-01 ppm1 1.266 ppm2 4.821 CV 1
ASSI { 2741}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 58 and name HA ))
3.200 1.300 1.300 peak 2741 weight 0.20000E+01 volume 0.92705E-03 ppm1 2.397 ppm2 4.994 CV 1
ASSI { 1170}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 58 and name HA ))
2.900 1.000 1.000 peak 1170 weight 0.20000E+01 volume 0.17365E-02 ppm1 0.958 ppm2 4.967 CV 1
ASSI { 5}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 59 and name HG# )
4.600 2.700 1.400 peak 5 weight 0.20000E+01 volume 0.98095E-04 ppm1 4.822 ppm2 0.951 CV 1
ASSI { 2739}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 59 and name HA ))
2.700 0.900 0.900 peak 2739 weight 0.20000E+01 volume 0.22192E-02 ppm1 2.397 ppm2 3.671 CV 1
ASSI { 2213}
(( segid " " and resid 60 and name HA# ))
( segid " " and resid 59 and name HG# )
3.700 1.700 1.700 peak 2213 weight 0.20000E+01 volume 0.37125E-03 ppm1 3.944 ppm2 0.857 CV 1
ASSI { 2911}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 57 and name HD# )
2.800 1.000 1.000 peak 2911 weight 0.20000E+01 volume 0.18424E-02 ppm1 4.279 ppm2 0.997 CV 1
ASSI { 2910}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 57 and name HG ))
3.700 1.700 1.700 peak 2910 weight 0.20000E+01 volume 0.38185E-03 ppm1 4.279 ppm2 2.016 CV 1
ASSI { 1375}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 61 and name HB# ))
2.600 0.800 0.800 peak 1375 weight 0.20000E+01 volume 0.32218E-02 ppm1 2.038 ppm2 2.536 CV 1
ASSI { 3324}
(( segid " " and resid 61 and name HB# ))
( segid " " and resid 57 and name HD# )
2.700 0.900 0.900 peak 3324 weight 0.20000E+01 volume 0.24765E-02 ppm1 2.100 ppm2 1.001 CV 1
ASSI { 2667}
(( segid " " and resid 61 and name HG# ))
( segid " " and resid 57 and name HD# )
3.000 1.100 1.100 peak 2667 weight 0.20000E+01 volume 0.14372E-02 ppm1 2.487 ppm2 0.883 CV 1
ASSI { 2909}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB# ))
2.100 0.500 0.500 peak 2909 weight 0.20000E+01 volume 0.11205E-01 ppm1 4.282 ppm2 2.099 CV 1
ASSI { 2908}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HG# ))
1.900 0.400 0.400 peak 2908 weight 0.20000E+01 volume 0.22318E-01 ppm1 4.282 ppm2 2.490 CV 1
ASSI { 2661}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 61 and name HB# ))
2.000 0.500 0.500 peak 2661 weight 0.20000E+01 volume 0.14996E-01 ppm1 2.484 ppm2 2.099 CV 1
ASSI { 882}
( segid " " and resid 33 and name HG# )
( segid " " and resid 62 and name HD% )
3.100 1.200 1.200 peak 882 weight 0.20000E+01 volume 0.10898E-02 ppm1 0.639 ppm2 6.910 CV 1
ASSI { 880}
( segid " " and resid 33 and name HG# )
( segid " " and resid 62 and name HE% )
2.600 0.900 0.900 peak 880 weight 0.20000E+01 volume 0.29011E-02 ppm1 0.639 ppm2 6.519 CV 1
ASSI { 892}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 62 and name HZ ))
3.200 1.300 1.300 peak 892 weight 0.20000E+01 volume 0.88853E-03 ppm1 0.583 ppm2 6.231 CV 1
ASSI { 947}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 62 and name HZ ))
3.300 1.400 1.400 peak 947 weight 0.20000E+01 volume 0.75303E-03 ppm1 0.893 ppm2 6.243 CV 1
ASSI { 2366}
(( segid " " and resid 51 and name HB# ))
(( segid " " and resid 62 and name HZ ))
3.400 1.400 1.400 peak 2366 weight 0.20000E+01 volume 0.65611E-03 ppm1 2.830 ppm2 6.255 CV 1
ASSI { 734}
( segid " " and resid 53 and name HG# )
( segid " " and resid 62 and name HD% )
3.000 1.100 1.100 peak 734 weight 0.20000E+01 volume 0.12537E-02 ppm1 0.566 ppm2 6.893 CV 1
ASSI { 732}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 62 and name HZ ))
3.800 1.800 1.800 peak 732 weight 0.20000E+01 volume 0.31687E-03 ppm1 0.566 ppm2 6.234 CV 1
ASSI { 1331}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 62 and name HA ))
2.400 0.700 0.700 peak 1331 weight 0.20000E+01 volume 0.45490E-02 ppm1 0.898 ppm2 4.459 CV 1
ASSI { 1325}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 62 and name HB# ))
2.600 0.900 0.900 peak 1325 weight 0.20000E+01 volume 0.27884E-02 ppm1 0.902 ppm2 3.144 CV 1
ASSI { 1336}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 62 and name HN ))
2.700 0.900 0.900 peak 1336 weight 0.20000E+01 volume 0.24534E-02 ppm1 0.902 ppm2 8.857 CV 1
ASSI { 2798}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 62 and name HB# ))
2.500 0.800 0.800 peak 2798 weight 0.20000E+01 volume 0.36145E-02 ppm1 3.680 ppm2 3.129 CV 1
ASSI { 2797}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 62 and name HB# ))
2.500 0.800 0.800 peak 2797 weight 0.20000E+01 volume 0.42370E-02 ppm1 3.684 ppm2 3.267 CV 1
ASSI { 2802}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 62 and name HD% )
3.100 1.200 1.200 peak 2802 weight 0.20000E+01 volume 0.10043E-02 ppm1 3.687 ppm2 6.903 CV 1
ASSI { 2913}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HN ))
2.900 1.100 1.100 peak 2913 weight 0.20000E+01 volume 0.15340E-02 ppm1 4.282 ppm2 8.871 CV 1
ASSI { 121}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB# ))
2.400 0.700 0.700 peak 121 weight 0.20000E+01 volume 0.50408E-02 ppm1 4.468 ppm2 3.148 CV 1
ASSI { 125}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HN ))
2.500 0.800 0.800 peak 125 weight 0.20000E+01 volume 0.40538E-02 ppm1 4.469 ppm2 8.857 CV 1
ASSI { 2215}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 63 and name HB# ))
3.200 1.300 1.300 peak 2215 weight 0.20000E+01 volume 0.89131E-03 ppm1 3.939 ppm2 2.730 CV 1
ASSI { 2214}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 63 and name HB# ))
3.100 1.200 1.200 peak 2214 weight 0.20000E+01 volume 0.10063E-02 ppm1 4.087 ppm2 2.730 CV 1
ASSI { 2222}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 63 and name HN ))
3.300 1.300 1.300 peak 2222 weight 0.20000E+01 volume 0.79037E-03 ppm1 4.076 ppm2 9.116 CV 1
ASSI { 2914}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 63 and name HN ))
3.100 1.200 1.200 peak 2914 weight 0.20000E+01 volume 0.10111E-02 ppm1 4.282 ppm2 9.112 CV 1
ASSI { 98}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB# ))
2.400 0.700 0.700 peak 98 weight 0.20000E+01 volume 0.47227E-02 ppm1 3.942 ppm2 3.101 CV 1
ASSI { 2613}
(( segid " " and resid 63 and name HB# ))
( segid " " and resid 63 and name HE% )
3.400 1.500 1.500 peak 2613 weight 0.20000E+01 volume 0.57547E-03 ppm1 2.736 ppm2 6.133 CV 1
ASSI { 2576}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 61 and name HA ))
2.400 0.700 0.700 peak 2576 weight 0.20000E+01 volume 0.44396E-02 ppm1 3.284 ppm2 4.268 CV 1
ASSI { 2575}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 61 and name HA ))
2.500 0.800 0.800 peak 2575 weight 0.20000E+01 volume 0.36858E-02 ppm1 3.182 ppm2 4.272 CV 1
ASSI { 2619}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 64 and name HA ))
2.900 1.000 1.000 peak 2619 weight 0.20000E+01 volume 0.16665E-02 ppm1 2.730 ppm2 4.029 CV 1
ASSI { 3434}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 53 and name HA ))
4.700 2.700 1.300 peak 3434 weight 0.20000E+01 volume 0.91167E-04 ppm1 1.020 ppm2 4.816 CV 1
ASSI { 2091}
(( segid " " and resid 65 and name HB# ))
( segid " " and resid 62 and name HD% )
3.100 1.200 1.200 peak 2091 weight 0.20000E+01 volume 0.10999E-02 ppm1 1.813 ppm2 6.898 CV 1
ASSI { 2089}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 62 and name HA ))
2.700 0.900 0.900 peak 2089 weight 0.20000E+01 volume 0.25388E-02 ppm1 1.637 ppm2 4.461 CV 1
ASSI { 1213}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 62 and name HA ))
2.400 0.700 0.700 peak 1213 weight 0.20000E+01 volume 0.50706E-02 ppm1 1.014 ppm2 4.435 CV 1
ASSI { 2569}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HB# ))
3.900 1.900 1.900 peak 2569 weight 0.20000E+01 volume 0.26956E-03 ppm1 3.188 ppm2 1.789 CV 1
ASSI { 2087}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 65 and name HA ))
2.300 0.600 0.600 peak 2087 weight 0.20000E+01 volume 0.71838E-02 ppm1 1.816 ppm2 3.933 CV 1
ASSI { 2083}
(( segid " " and resid 65 and name HB# ))
( segid " " and resid 65 and name HD# )
2.300 0.600 0.600 peak 2083 weight 0.20000E+01 volume 0.68967E-02 ppm1 1.821 ppm2 1.010 CV 1
ASSI { 2082}
(( segid " " and resid 65 and name HB# ))
( segid " " and resid 65 and name HD# )
2.500 0.800 0.800 peak 2082 weight 0.20000E+01 volume 0.42683E-02 ppm1 1.643 ppm2 1.018 CV 1
ASSI { 1051}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HA ))
2.200 0.600 0.600 peak 1051 weight 0.20000E+01 volume 0.75516E-02 ppm1 0.840 ppm2 3.937 CV 1
ASSI { 2084}
(( segid " " and resid 65 and name HB# ))
( segid " " and resid 65 and name HD# )
2.600 0.800 0.800 peak 2084 weight 0.20000E+01 volume 0.34662E-02 ppm1 1.815 ppm2 0.843 CV 1
ASSI { 1047}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HB# ))
2.200 0.600 0.600 peak 1047 weight 0.20000E+01 volume 0.91878E-02 ppm1 0.846 ppm2 1.632 CV 1
ASSI { 1461}
(( segid " " and resid 65 and name HG ))
(( segid " " and resid 65 and name HA ))
2.600 0.900 0.900 peak 1461 weight 0.20000E+01 volume 0.40805E-02 ppm1 1.801 ppm2 3.926 CV 1
OR { 1461}
(( segid " " and resid 65 and name HG ))
(( segid " " and resid 63 and name HA ))
ASSI { 902}
( segid " " and resid 35 and name HG# )
( segid " " and resid 66 and name HD# )
2.400 0.700 0.700 peak 902 weight 0.20000E+01 volume 0.54766E-02 ppm1 0.824 ppm2 -0.129 CV 1
ASSI { 1295}
( segid " " and resid 46 and name HD# )
(( segid " " and resid 66 and name HA ))
3.200 1.300 1.300 peak 1295 weight 0.20000E+01 volume 0.84794E-03 ppm1 0.902 ppm2 3.434 CV 1
ASSI { 3307}
( segid " " and resid 66 and name HD# )
( segid " " and resid 62 and name HE% )
2.600 0.800 0.800 peak 3307 weight 0.20000E+01 volume 0.31013E-02 ppm1 -0.123 ppm2 6.514 CV 1
ASSI { 419}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 62 and name HZ ))
2.600 0.800 0.800 peak 419 weight 0.20000E+01 volume 0.31944E-02 ppm1 -0.119 ppm2 6.239 CV 1
ASSI { 1939}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 63 and name HA ))
2.700 0.900 0.900 peak 1939 weight 0.20000E+01 volume 0.24370E-02 ppm1 1.787 ppm2 3.941 CV 1
ASSI { 2080}
(( segid " " and resid 65 and name HB# ))
( segid " " and resid 66 and name HD# )
3.100 1.200 1.200 peak 2080 weight 0.20000E+01 volume 0.10169E-02 ppm1 1.805 ppm2 -0.139 CV 1
ASSI { 1045}
( segid " " and resid 65 and name HD# )
( segid " " and resid 66 and name HD# )
2.500 0.800 0.800 peak 1045 weight 0.20000E+01 volume 0.43643E-02 ppm1 0.844 ppm2 -0.132 CV 1
ASSI { 2925}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HN ))
3.000 1.100 1.100 peak 2925 weight 0.20000E+01 volume 0.13434E-02 ppm1 3.935 ppm2 7.819 CV 1
ASSI { 1057}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 66 and name HN ))
3.200 1.300 1.300 peak 1057 weight 0.20000E+01 volume 0.93834E-03 ppm1 0.842 ppm2 7.819 CV 1
ASSI { 1459}
(( segid " " and resid 65 and name HG ))
(( segid " " and resid 66 and name HN ))
3.000 1.100 1.100 peak 1459 weight 0.20000E+01 volume 0.13531E-02 ppm1 1.788 ppm2 7.800 CV 1
ASSI { 1932}
(( segid " " and resid 66 and name HB ))
( segid " " and resid 66 and name HD# )
2.600 0.900 0.900 peak 1932 weight 0.20000E+01 volume 0.27865E-02 ppm1 1.793 ppm2 -0.126 CV 1
ASSI { 1283}
(( segid " " and resid 66 and name HG1#))
(( segid " " and resid 66 and name HA ))
3.100 1.200 1.200 peak 1283 weight 0.20000E+01 volume 0.11394E-02 ppm1 0.437 ppm2 3.432 CV 1
ASSI { 1277}
(( segid " " and resid 66 and name HG1#))
( segid " " and resid 66 and name HD# )
2.400 0.700 0.700 peak 1277 weight 0.20000E+01 volume 0.47048E-02 ppm1 0.437 ppm2 -0.129 CV 1
ASSI { 413}
( segid " " and resid 66 and name HD# )
( segid " " and resid 66 and name HG# )
1.800 0.400 0.400 peak 413 weight 0.20000E+01 volume 0.31716E-01 ppm1 -0.121 ppm2 0.368 CV 1
ASSI { 2335}
(( segid " " and resid 67 and name HD# ))
( segid " " and resid 63 and name HE% )
3.500 1.600 1.600 peak 2335 weight 0.20000E+01 volume 0.49318E-03 ppm1 2.817 ppm2 6.148 CV 1
ASSI { 2865}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 66 and name HG# )
3.100 1.200 1.200 peak 2865 weight 0.20000E+01 volume 0.11242E-02 ppm1 3.397 ppm2 0.342 CV 1
ASSI { 2869}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HD# ))
2.800 0.900 0.900 peak 2869 weight 0.20000E+01 volume 0.21936E-02 ppm1 3.401 ppm2 2.811 CV 1
ASSI { 2330}
(( segid " " and resid 67 and name HD# ))
(( segid " " and resid 67 and name HG# ))
2.200 0.600 0.600 peak 2330 weight 0.20000E+01 volume 0.88385E-02 ppm1 2.817 ppm2 1.173 CV 1
ASSI { 1656}
(( segid " " and resid 67 and name HG# ))
(( segid " " and resid 67 and name HA ))
2.900 1.100 1.100 peak 1656 weight 0.20000E+01 volume 0.16020E-02 ppm1 1.582 ppm2 3.399 CV 1
ASSI { 2929}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 68 and name HE# ))
3.700 1.700 1.700 peak 2929 weight 0.20000E+01 volume 0.37887E-03 ppm1 3.942 ppm2 2.892 CV 1
ASSI { 3457}
(( segid " " and resid 68 and name HE# ))
(( segid " " and resid 65 and name HB# ))
2.800 1.000 1.000 peak 3457 weight 0.20000E+01 volume 0.19507E-02 ppm1 2.908 ppm2 1.837 CV 1
ASSI { 2931}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 68 and name HG# ))
3.000 1.100 1.100 peak 2931 weight 0.20000E+01 volume 0.14220E-02 ppm1 3.942 ppm2 1.328 CV 1
ASSI { 3444}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 68 and name HE# ))
3.900 1.900 1.900 peak 3444 weight 0.20000E+01 volume 0.26124E-03 ppm1 1.756 ppm2 2.904 CV 1
ASSI { 3454}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 68 and name HE# ))
4.600 2.700 1.400 peak 3454 weight 0.20000E+01 volume 0.99271E-04 ppm1 1.753 ppm2 2.826 CV 1
ASSI { 3448}
(( segid " " and resid 68 and name HE# ))
(( segid " " and resid 68 and name HD# ))
2.600 0.900 0.900 peak 3448 weight 0.20000E+01 volume 0.27945E-02 ppm1 2.829 ppm2 1.590 CV 1
ASSI { 3446}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 68 and name HG# ))
2.100 0.600 0.600 peak 3446 weight 0.20000E+01 volume 0.10494E-01 ppm1 1.758 ppm2 1.327 CV 1
ASSI { 1091}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 68 and name HE# ))
2.800 1.000 1.000 peak 1091 weight 0.20000E+01 volume 0.19138E-02 ppm1 1.293 ppm2 2.848 CV 1
ASSI { 1094}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 68 and name HA ))
2.300 0.700 0.700 peak 1094 weight 0.20000E+01 volume 0.56760E-02 ppm1 1.364 ppm2 3.996 CV 1
ASSI { 3361}
(( segid " " and resid 68 and name HE# ))
(( segid " " and resid 68 and name HG# ))
2.600 0.800 0.800 peak 3361 weight 0.20000E+01 volume 0.32370E-02 ppm1 2.918 ppm2 1.377 CV 1
ASSI { 3442}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 68 and name HN ))
4.000 2.000 2.000 peak 3442 weight 0.20000E+01 volume 0.23935E-03 ppm1 1.760 ppm2 7.334 CV 1
ASSI { 2923}
(( segid " " and resid 69 and name HA ))
( segid " " and resid 46 and name HD# )
2.900 1.100 1.100 peak 2923 weight 0.20000E+01 volume 0.15253E-02 ppm1 3.999 ppm2 0.879 CV 1
ASSI { 2306}
(( segid " " and resid 69 and name HD# ))
( segid " " and resid 46 and name HD# )
2.200 0.600 0.600 peak 2306 weight 0.20000E+01 volume 0.75265E-02 ppm1 3.296 ppm2 0.882 CV 1
ASSI { 1539}
(( segid " " and resid 69 and name HG# ))
( segid " " and resid 46 and name HD# )
2.700 0.900 0.900 peak 1539 weight 0.20000E+01 volume 0.22967E-02 ppm1 1.694 ppm2 0.902 CV 1
ASSI { 1529}
(( segid " " and resid 69 and name HG# ))
( segid " " and resid 46 and name HD# )
2.700 0.900 0.900 peak 1529 weight 0.20000E+01 volume 0.25827E-02 ppm1 1.909 ppm2 0.985 CV 1
ASSI { 1540}
(( segid " " and resid 69 and name HG# ))
(( segid " " and resid 48 and name HD# ))
3.000 1.100 1.100 peak 1540 weight 0.20000E+01 volume 0.13322E-02 ppm1 1.689 ppm2 1.357 CV 1
ASSI { 2832}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 69 and name HA ))
3.700 1.700 1.700 peak 2832 weight 0.20000E+01 volume 0.37853E-03 ppm1 3.433 ppm2 3.984 CV 1
ASSI { 1681}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 66 and name HG# )
3.300 1.400 1.400 peak 1681 weight 0.20000E+01 volume 0.71984E-03 ppm1 1.836 ppm2 0.364 CV 1
ASSI { 1679}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 66 and name HD# )
3.700 1.700 1.700 peak 1679 weight 0.20000E+01 volume 0.37548E-03 ppm1 1.935 ppm2 -0.136 CV 1
ASSI { 1682}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 66 and name HG# )
4.000 2.000 2.000 peak 1682 weight 0.20000E+01 volume 0.24503E-03 ppm1 1.926 ppm2 0.377 CV 1
ASSI { 2305}
(( segid " " and resid 69 and name HD# ))
( segid " " and resid 66 and name HD# )
2.700 0.900 0.900 peak 2305 weight 0.20000E+01 volume 0.24294E-02 ppm1 3.295 ppm2 -0.130 CV 1
ASSI { 3392}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 69 and name HG# ))
3.100 1.200 1.200 peak 3392 weight 0.20000E+01 volume 0.10877E-02 ppm1 3.436 ppm2 1.695 CV 1
ASSI { 2833}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 69 and name HG# ))
2.600 0.900 0.900 peak 2833 weight 0.20000E+01 volume 0.29198E-02 ppm1 3.433 ppm2 1.887 CV 1
ASSI { 3391}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 69 and name HG# ))
2.900 1.100 1.100 peak 3391 weight 0.20000E+01 volume 0.14635E-02 ppm1 -0.121 ppm2 1.887 CV 1
ASSI { 1692}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HA ))
2.300 0.600 0.600 peak 1692 weight 0.20000E+01 volume 0.67945E-02 ppm1 1.836 ppm2 4.017 CV 1
ASSI { 1693}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HA ))
2.300 0.700 0.700 peak 1693 weight 0.20000E+01 volume 0.65991E-02 ppm1 1.930 ppm2 4.017 CV 1
ASSI { 2314}
(( segid " " and resid 69 and name HD# ))
(( segid " " and resid 69 and name HA ))
2.300 0.700 0.700 peak 2314 weight 0.20000E+01 volume 0.62287E-02 ppm1 3.292 ppm2 4.008 CV 1
ASSI { 1686}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HG# ))
2.100 0.500 0.500 peak 1686 weight 0.20000E+01 volume 0.11949E-01 ppm1 1.831 ppm2 1.703 CV 1
ASSI { 1687}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HG# ))
2.200 0.600 0.600 peak 1687 weight 0.20000E+01 volume 0.91537E-02 ppm1 1.930 ppm2 1.684 CV 1
ASSI { 2311}
(( segid " " and resid 69 and name HD# ))
(( segid " " and resid 69 and name HG# ))
1.700 0.400 0.500 peak 2311 weight 0.20000E+01 volume 0.33449E-01 ppm1 3.292 ppm2 1.689 CV 1
ASSI { 2036}
(( segid " " and resid 70 and name HB ))
( segid " " and resid 43 and name HD# )
2.900 1.100 1.100 peak 2036 weight 0.20000E+01 volume 0.14615E-02 ppm1 1.744 ppm2 1.144 CV 1
ASSI { 3369}
( segid " " and resid 70 and name HD# )
(( segid " " and resid 43 and name HG1#))
3.200 1.300 1.300 peak 3369 weight 0.20000E+01 volume 0.95054E-03 ppm1 0.458 ppm2 1.434 CV 1
ASSI { 629}
( segid " " and resid 43 and name HG# )
( segid " " and resid 70 and name HG# )
2.400 0.700 0.700 peak 629 weight 0.20000E+01 volume 0.50555E-02 ppm1 1.104 ppm2 0.753 CV 1
ASSI { 2039}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 44 and name HA# ))
3.100 1.200 1.200 peak 2039 weight 0.20000E+01 volume 0.11045E-02 ppm1 1.746 ppm2 3.859 CV 1
ASSI { 606}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 44 and name HA# ))
2.900 1.000 1.000 peak 606 weight 0.20000E+01 volume 0.17673E-02 ppm1 0.736 ppm2 3.853 CV 1
ASSI { 608}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 44 and name HA# ))
2.900 1.100 1.100 peak 608 weight 0.20000E+01 volume 0.15282E-02 ppm1 0.743 ppm2 4.089 CV 1
ASSI { 2155}
(( segid " " and resid 46 and name HB# ))
( segid " " and resid 70 and name HG# )
2.800 1.000 1.000 peak 2155 weight 0.20000E+01 volume 0.21050E-02 ppm1 1.832 ppm2 0.737 CV 1
ASSI { 694}
( segid " " and resid 70 and name HG# )
( segid " " and resid 66 and name HG# )
2.400 0.700 0.700 peak 694 weight 0.20000E+01 volume 0.53859E-02 ppm1 0.743 ppm2 0.363 CV 1
ASSI { 2038}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 67 and name HA ))
3.100 1.200 1.200 peak 2038 weight 0.20000E+01 volume 0.10425E-02 ppm1 1.744 ppm2 3.401 CV 1
ASSI { 1451}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 67 and name HA ))
3.100 1.200 1.200 peak 1451 weight 0.20000E+01 volume 0.10601E-02 ppm1 1.337 ppm2 3.394 CV 1
ASSI { 2862}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 70 and name HG1#))
2.400 0.700 0.700 peak 2862 weight 0.20000E+01 volume 0.52885E-02 ppm1 3.401 ppm2 0.920 CV 1
ASSI { 3373}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 70 and name HG# )
4.300 2.300 1.700 peak 3373 weight 0.20000E+01 volume 0.15809E-03 ppm1 3.396 ppm2 0.746 CV 1
ASSI { 1684}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 70 and name HG1#))
2.500 0.800 0.800 peak 1684 weight 0.20000E+01 volume 0.36926E-02 ppm1 1.935 ppm2 0.928 CV 1
ASSI { 1683}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 70 and name HG# )
3.400 1.400 1.400 peak 1683 weight 0.20000E+01 volume 0.61593E-03 ppm1 1.930 ppm2 0.729 CV 1
ASSI { 484}
( segid " " and resid 70 and name HD# )
(( segid " " and resid 70 and name HA ))
3.100 1.200 1.200 peak 484 weight 0.20000E+01 volume 0.10944E-02 ppm1 0.456 ppm2 4.168 CV 1
ASSI { 1452}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 70 and name HA ))
2.900 1.100 1.100 peak 1452 weight 0.20000E+01 volume 0.15222E-02 ppm1 1.332 ppm2 4.163 CV 1
ASSI { 2035}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 70 and name HG1#))
2.400 0.700 0.700 peak 2035 weight 0.20000E+01 volume 0.46507E-02 ppm1 1.744 ppm2 0.930 CV 1
ASSI { 1399}
(( segid " " and resid 70 and name HG1#))
( segid " " and resid 70 and name HD# )
2.200 0.600 0.600 peak 1399 weight 0.20000E+01 volume 0.83432E-02 ppm1 0.953 ppm2 0.452 CV 1
ASSI { 109}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 70 and name HG# )
2.200 0.600 0.600 peak 109 weight 0.20000E+01 volume 0.89158E-02 ppm1 4.162 ppm2 0.748 CV 1
ASSI { 2985}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 68 and name HA ))
2.300 0.700 0.700 peak 2985 weight 0.20000E+01 volume 0.66784E-02 ppm1 4.218 ppm2 4.009 CV 1
ASSI { 113}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HD# ))
3.400 1.400 1.400 peak 113 weight 0.20000E+01 volume 0.64925E-03 ppm1 4.164 ppm2 7.133 CV 1
ASSI { 2794}
(( segid " " and resid 71 and name HB# ))
(( segid " " and resid 71 and name HA ))
2.200 0.600 0.600 peak 2794 weight 0.20000E+01 volume 0.93750E-02 ppm1 3.477 ppm2 4.210 CV 1
ASSI { 2986}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HD# ))
3.400 1.400 1.400 peak 2986 weight 0.20000E+01 volume 0.63637E-03 ppm1 4.211 ppm2 7.122 CV 1
ASSI { 2795}
(( segid " " and resid 71 and name HB# ))
(( segid " " and resid 71 and name HD# ))
2.800 1.000 1.000 peak 2795 weight 0.20000E+01 volume 0.20952E-02 ppm1 3.477 ppm2 7.123 CV 1
ASSI { 986}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 43 and name HB ))
3.100 1.200 1.200 peak 986 weight 0.20000E+01 volume 0.11395E-02 ppm1 0.902 ppm2 2.050 CV 1
ASSI { 2129}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 67 and name HA ))
3.300 1.400 1.400 peak 2129 weight 0.20000E+01 volume 0.71424E-03 ppm1 1.686 ppm2 3.400 CV 1
ASSI { 2127}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 67 and name HG# ))
3.100 1.200 1.200 peak 2127 weight 0.20000E+01 volume 0.10362E-02 ppm1 1.689 ppm2 1.156 CV 1
ASSI { 2126}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 67 and name HG# ))
2.800 1.000 1.000 peak 2126 weight 0.20000E+01 volume 0.20514E-02 ppm1 1.381 ppm2 1.160 CV 1
ASSI { 1302}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HA ))
2.500 0.800 0.800 peak 1302 weight 0.20000E+01 volume 0.42011E-02 ppm1 0.849 ppm2 4.488 CV 1
ASSI { 325}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 72 and name HD# )
2.000 0.500 0.500 peak 325 weight 0.20000E+01 volume 0.14958E-01 ppm1 4.489 ppm2 0.888 CV 1
ASSI { 2118}
(( segid " " and resid 72 and name HB# ))
( segid " " and resid 72 and name HD# )
2.100 0.500 0.500 peak 2118 weight 0.20000E+01 volume 0.12389E-01 ppm1 1.700 ppm2 0.871 CV 1
ASSI { 1370}
(( segid " " and resid 72 and name HG ))
( segid " " and resid 72 and name HD# )
1.900 0.400 0.400 peak 1370 weight 0.20000E+01 volume 0.23681E-01 ppm1 1.704 ppm2 0.858 CV 1
ASSI { 3048}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB# ))
2.000 0.500 0.500 peak 3048 weight 0.20000E+01 volume 0.12950E-01 ppm1 4.365 ppm2 2.118 CV 1
ASSI { 2324}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HA ))
3.300 1.300 1.300 peak 2324 weight 0.20000E+01 volume 0.77340E-03 ppm1 3.286 ppm2 4.369 CV 1
ASSI { 2322}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HB# ))
2.300 0.700 0.700 peak 2322 weight 0.20000E+01 volume 0.58640E-02 ppm1 3.287 ppm2 2.113 CV 1
ASSI { 2325}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HA ))
2.900 1.000 1.000 peak 2325 weight 0.20000E+01 volume 0.17098E-02 ppm1 3.232 ppm2 4.356 CV 1
ASSI { 1720}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 73 and name HD# ))
2.400 0.700 0.700 peak 1720 weight 0.20000E+01 volume 0.48941E-02 ppm1 2.115 ppm2 3.248 CV 1
ASSI { 2316}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HG# ))
1.900 0.400 0.400 peak 2316 weight 0.20000E+01 volume 0.22250E-01 ppm1 3.235 ppm2 1.771 CV 1
ASSI { 3475}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 67 and name HB# ))
3.800 1.900 1.900 peak 3475 weight 0.20000E+01 volume 0.29296E-03 ppm1 3.863 ppm2 1.603 CV 1
ASSI { 3044}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 67 and name HG# ))
3.500 1.500 1.500 peak 3044 weight 0.20000E+01 volume 0.51645E-03 ppm1 3.859 ppm2 1.164 CV 1
ASSI { 3476}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 75 and name HA ))
3.400 1.400 1.400 peak 3476 weight 0.20000E+01 volume 0.62418E-03 ppm1 3.856 ppm2 4.100 CV 1
ASSI { 646}
( segid " " and resid 74 and name HB% )
(( segid " " and resid 75 and name HA ))
2.800 0.900 0.900 peak 646 weight 0.20000E+01 volume 0.21961E-02 ppm1 1.390 ppm2 4.084 CV 1
ASSI { 3345}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HG# ))
2.600 0.800 0.800 peak 3345 weight 0.20000E+01 volume 0.33882E-02 ppm1 4.092 ppm2 2.201 CV 1
ASSI { 1303}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 76 and name HA ))
3.500 1.500 1.500 peak 1303 weight 0.20000E+01 volume 0.54790E-03 ppm1 0.848 ppm2 4.616 CV 1
ASSI { 994}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 76 and name HA ))
2.800 1.000 1.000 peak 994 weight 0.20000E+01 volume 0.18768E-02 ppm1 0.894 ppm2 4.628 CV 1
ASSI { 2123}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 76 and name HB# ))
2.600 0.800 0.800 peak 2123 weight 0.20000E+01 volume 0.30799E-02 ppm1 1.376 ppm2 2.769 CV 1
ASSI { 987}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 76 and name HB# ))
2.300 0.700 0.700 peak 987 weight 0.20000E+01 volume 0.59144E-02 ppm1 0.902 ppm2 2.742 CV 1
ASSI { 318}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB# ))
2.300 0.600 0.600 peak 318 weight 0.20000E+01 volume 0.69887E-02 ppm1 4.634 ppm2 2.735 CV 1
ASSI { 317}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB# ))
2.000 0.500 0.500 peak 317 weight 0.20000E+01 volume 0.13707E-01 ppm1 4.638 ppm2 2.845 CV 1
ASSI { 3260}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HA ))
3.500 1.500 1.500 peak 3260 weight 0.20000E+01 volume 0.15426E-02 ppm1 4.036 ppm2 4.608 CV 1
ASSI { 3386}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 76 and name HB# ))
4.400 2.400 1.600 peak 3386 weight 0.20000E+01 volume 0.12767E-03 ppm1 4.032 ppm2 2.753 CV 1
ASSI { 315}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 77 and name HB% )
3.200 1.300 1.300 peak 315 weight 0.20000E+01 volume 0.85542E-03 ppm1 4.638 ppm2 1.424 CV 1
ASSI { 744}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 77 and name HA ))
1.800 0.400 0.400 peak 744 weight 0.20000E+01 volume 0.29447E-01 ppm1 1.431 ppm2 4.028 CV 1
ASSI { 514}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 78 and name HA ))
2.600 0.900 0.900 peak 514 weight 0.20000E+01 volume 0.28156E-02 ppm1 1.140 ppm2 4.542 CV 1
ASSI { 1421}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 63 and name HA ))
2.900 1.100 1.100 peak 1421 weight 0.20000E+01 volume 0.15480E-02 ppm1 0.456 ppm2 3.943 CV 1
ASSI { 585}
( segid " " and resid 66 and name HG# )
(( segid " " and resid 78 and name HB# ))
3.200 1.300 1.300 peak 585 weight 0.20000E+01 volume 0.94278E-03 ppm1 0.367 ppm2 1.126 CV 1
ASSI { 745}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 78 and name HA ))
3.000 1.100 1.100 peak 745 weight 0.20000E+01 volume 0.13974E-02 ppm1 1.431 ppm2 4.529 CV 1
ASSI { 2163}
(( segid " " and resid 78 and name HB# ))
(( segid " " and resid 78 and name HA ))
2.400 0.700 0.700 peak 2163 weight 0.20000E+01 volume 0.50880E-02 ppm1 1.109 ppm2 4.552 CV 1
ASSI { 1422}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HA ))
3.000 1.100 1.100 peak 1422 weight 0.20000E+01 volume 0.12433E-02 ppm1 0.459 ppm2 4.533 CV 1
ASSI { 1104}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HA ))
2.100 0.600 0.600 peak 1104 weight 0.20000E+01 volume 0.10631E-01 ppm1 0.820 ppm2 4.531 CV 1
ASSI { 1423}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 79 and name HA ))
4.800 2.800 1.200 peak 1423 weight 0.20000E+01 volume 0.80568E-04 ppm1 0.458 ppm2 4.688 CV 1
ASSI { 241}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB# ))
2.200 0.600 0.600 peak 241 weight 0.20000E+01 volume 0.81620E-02 ppm1 4.705 ppm2 2.524 CV 1
ASSI { 240}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB# ))
2.300 0.600 0.600 peak 240 weight 0.20000E+01 volume 0.72735E-02 ppm1 4.708 ppm2 2.612 CV 1
ASSI { 3450}
(( segid " " and resid 80 and name HB# ))
( segid " " and resid 59 and name HG# )
3.300 1.400 1.400 peak 3450 weight 0.20000E+01 volume 0.74257E-03 ppm1 2.829 ppm2 0.861 CV 1
ASSI { 1942}
(( segid " " and resid 66 and name HB ))
( segid " " and resid 80 and name HE% )
2.900 1.100 1.100 peak 1942 weight 0.20000E+01 volume 0.14661E-02 ppm1 1.795 ppm2 6.672 CV 1
ASSI { 1941}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 80 and name HZ ))
2.600 0.800 0.800 peak 1941 weight 0.20000E+01 volume 0.34647E-02 ppm1 1.793 ppm2 6.391 CV 1
ASSI { 1293}
(( segid " " and resid 66 and name HG1#))
(( segid " " and resid 80 and name HZ ))
2.800 1.000 1.000 peak 1293 weight 0.20000E+01 volume 0.19549E-02 ppm1 0.695 ppm2 6.397 CV 1
ASSI { 1426}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 80 and name HZ ))
2.900 1.000 1.000 peak 1426 weight 0.20000E+01 volume 0.17455E-02 ppm1 0.459 ppm2 6.408 CV 1
ASSI { 3184}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB# ))
2.400 0.700 0.700 peak 3184 weight 0.20000E+01 volume 0.48108E-02 ppm1 6.023 ppm2 2.907 CV 1
ASSI { 689}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 81 and name HA ))
3.800 1.800 1.800 peak 689 weight 0.20000E+01 volume 0.34049E-03 ppm1 1.646 ppm2 5.077 CV 1
ASSI { 3468}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 81 and name HN ))
4.000 2.000 2.000 peak 3468 weight 0.20000E+01 volume 0.22335E-03 ppm1 1.642 ppm2 9.093 CV 1
ASSI { 3213}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB# ))
2.300 0.700 0.700 peak 3213 weight 0.20000E+01 volume 0.58333E-02 ppm1 5.093 ppm2 2.630 CV 1
ASSI { 3207}
(( segid " " and resid 81 and name HA ))
( segid " " and resid 81 and name HE% )
3.300 1.400 1.400 peak 3207 weight 0.20000E+01 volume 0.70294E-03 ppm1 5.088 ppm2 7.218 CV 1
ASSI { 3209}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HN ))
2.600 0.900 0.900 peak 3209 weight 0.20000E+01 volume 0.28347E-02 ppm1 5.083 ppm2 9.095 CV 1
ASSI { 555}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 82 and name HA ))
2.700 0.900 0.900 peak 555 weight 0.20000E+01 volume 0.24414E-02 ppm1 1.644 ppm2 4.543 CV 1
ASSI { 814}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 81 and name HA ))
3.600 1.600 1.600 peak 814 weight 0.20000E+01 volume 0.46581E-03 ppm1 0.827 ppm2 5.099 CV 1
ASSI { 162}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB ))
2.300 0.600 0.600 peak 162 weight 0.20000E+01 volume 0.68461E-02 ppm1 4.545 ppm2 1.726 CV 1
ASSI { 777}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 82 and name HA ))
2.200 0.600 0.600 peak 777 weight 0.20000E+01 volume 0.76910E-02 ppm1 0.635 ppm2 4.539 CV 1
ASSI { 767}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 82 and name HB ))
2.100 0.500 0.500 peak 767 weight 0.20000E+01 volume 0.11595E-01 ppm1 0.644 ppm2 1.689 CV 1
ASSI { 3423}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 83 and name HA ))
3.500 1.500 1.500 peak 3423 weight 0.20000E+01 volume 0.50094E-03 ppm1 1.641 ppm2 4.332 CV 1
ASSI { 3055}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 3 and name HG# ))
2.700 0.900 0.900 peak 3055 weight 0.20000E+01 volume 0.27230E-02 ppm1 4.325 ppm2 2.160 CV 1
ASSI { 771}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 83 and name HB# ))
2.800 1.000 1.000 peak 771 weight 0.20000E+01 volume 0.20210E-02 ppm1 0.638 ppm2 2.709 CV 1
ASSI { 3039}
(( segid " " and resid 84 and name HA ))
( segid " " and resid 3 and name HE% )
2.500 0.800 0.800 peak 3039 weight 0.20000E+01 volume 0.40139E-02 ppm1 4.039 ppm2 1.630 CV 1
ASSI { 1790}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 84 and name HD22))
3.700 1.700 1.700 peak 1790 weight 0.20000E+01 volume 0.38165E-03 ppm1 2.174 ppm2 7.413 CV 1
ASSI { 2251}
(( segid " " and resid 81 and name HB# ))
(( segid " " and resid 84 and name HA ))
2.800 1.000 1.000 peak 2251 weight 0.20000E+01 volume 0.17993E-02 ppm1 2.643 ppm2 4.029 CV 1
ASSI { 3034}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 81 and name HB# ))
2.700 0.900 0.900 peak 3034 weight 0.20000E+01 volume 0.26743E-02 ppm1 4.031 ppm2 2.792 CV 1
ASSI { 3329}
(( segid " " and resid 84 and name HB# ))
(( segid " " and resid 84 and name HA ))
2.300 0.700 0.700 peak 3329 weight 0.20000E+01 volume 0.67211E-02 ppm1 3.048 ppm2 4.027 CV 1
ASSI { 3033}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HB# ))
2.000 0.500 0.500 peak 3033 weight 0.20000E+01 volume 0.12885E-01 ppm1 4.034 ppm2 3.014 CV 1
ASSI { 3575}
(( segid " " and resid 85 and name HB ))
( segid " " and resid 82 and name HG# )
4.100 2.100 1.900 peak 3575 weight 0.20000E+01 volume 0.20492E-03 ppm1 2.210 ppm2 0.822 CV 1
ASSI { 701}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 82 and name HB ))
3.200 1.300 1.300 peak 701 weight 0.20000E+01 volume 0.91112E-03 ppm1 0.975 ppm2 1.727 CV 1
ASSI { 707}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 83 and name HA ))
4.100 2.100 1.900 peak 707 weight 0.20000E+01 volume 0.19557E-03 ppm1 0.982 ppm2 4.314 CV 1
ASSI { 704}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 83 and name HB# ))
2.700 0.900 0.900 peak 704 weight 0.20000E+01 volume 0.24859E-02 ppm1 0.978 ppm2 3.020 CV 1
ASSI { 2633}
(( segid " " and resid 83 and name HB# ))
( segid " " and resid 85 and name HG# )
2.900 1.000 1.000 peak 2633 weight 0.20000E+01 volume 0.17394E-02 ppm1 2.689 ppm2 0.966 CV 1
ASSI { 1953}{calib cd151}
(( segid " " and resid 85 and name HB ))
(( segid " " and resid 85 and name HA ))
2.300 0.700 0.700 peak 1953 weight 0.20000E+01 volume 0.10836E-01 ppm1 2.205 ppm2 4.689 CV 1
ASSI { 708}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 85 and name HA ))
2.200 0.600 0.600 peak 708 weight 0.20000E+01 volume 0.94991E-02 ppm1 0.979 ppm2 4.680 CV 1
ASSI { 1954}
(( segid " " and resid 85 and name HB ))
( segid " " and resid 85 and name HG# )
1.800 0.400 0.400 peak 1954 weight 0.20000E+01 volume 0.32793E-01 ppm1 2.208 ppm2 0.968 CV 1
ASSI { 786}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 85 and name HA ))
2.000 0.500 0.500 peak 786 weight 0.20000E+01 volume 0.13292E-01 ppm1 0.968 ppm2 4.691 CV 1
ASSI { 788}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 85 and name HB ))
1.800 0.400 0.400 peak 788 weight 0.20000E+01 volume 0.27107E-01 ppm1 0.966 ppm2 2.185 CV 1
ASSI { 457}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 79 and name HB# ))
2.600 0.800 0.800 peak 457 weight 0.20000E+01 volume 0.31388E-02 ppm1 0.828 ppm2 2.589 CV 1
ASSI { 527}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 79 and name HA ))
3.000 1.100 1.100 peak 527 weight 0.20000E+01 volume 0.13131E-02 ppm1 1.159 ppm2 4.706 CV 1
ASSI { 526}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 79 and name HB# ))
3.400 1.500 1.500 peak 526 weight 0.20000E+01 volume 0.58316E-03 ppm1 1.161 ppm2 2.519 CV 1
ASSI { 3206}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 86 and name HA ))
2.300 0.700 0.700 peak 3206 weight 0.20000E+01 volume 0.60770E-02 ppm1 5.088 ppm2 5.215 CV 1
ASSI { 3515}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 81 and name HA ))
5.200 3.400 0.800 peak 3515 weight 0.20000E+01 volume 0.45791E-04 ppm1 0.825 ppm2 5.069 CV 1
ASSI { 3216}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 86 and name HG1#))
3.000 1.100 1.100 peak 3216 weight 0.20000E+01 volume 0.14051E-02 ppm1 5.088 ppm2 1.554 CV 1
ASSI { 1487}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 81 and name HZ ))
2.900 1.100 1.100 peak 1487 weight 0.20000E+01 volume 0.16063E-02 ppm1 0.803 ppm2 7.163 CV 1
ASSI { 528}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 81 and name HA ))
2.800 1.000 1.000 peak 528 weight 0.20000E+01 volume 0.19198E-02 ppm1 1.159 ppm2 5.093 CV 1
ASSI { 815}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 86 and name HA ))
3.400 1.400 1.400 peak 815 weight 0.20000E+01 volume 0.63540E-03 ppm1 0.826 ppm2 5.183 CV 1
ASSI { 785}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 86 and name HA ))
3.300 1.400 1.400 peak 785 weight 0.20000E+01 volume 0.68618E-03 ppm1 0.971 ppm2 5.202 CV 1
ASSI { 3602}
(( segid " " and resid 86 and name HB ))
( segid " " and resid 85 and name HG# )
3.700 1.700 1.700 peak 3602 weight 0.20000E+01 volume 0.38372E-03 ppm1 1.762 ppm2 0.952 CV 1
ASSI { 1509}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 85 and name HA ))
3.200 1.300 1.300 peak 1509 weight 0.20000E+01 volume 0.81233E-03 ppm1 1.535 ppm2 4.679 CV 1
ASSI { 461}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 86 and name HA ))
2.500 0.800 1.000 peak 461 weight 0.20000E+01 volume 0.38790E-02 ppm1 0.827 ppm2 5.195 CV 1
ASSI { 455}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 86 and name HB ))
2.000 0.500 0.700 peak 455 weight 0.20000E+01 volume 0.13001E-01 ppm1 0.825 ppm2 1.750 CV 1
ASSI { 1506}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 86 and name HB ))
2.300 0.700 0.700 peak 1506 weight 0.20000E+01 volume 0.67666E-02 ppm1 1.535 ppm2 1.754 CV 1
ASSI { 454}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 86 and name HG1#))
1.900 0.400 0.600 peak 454 weight 0.20000E+01 volume 0.20939E-01 ppm1 0.825 ppm2 1.526 CV 1
ASSI { 521}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 86 and name HB ))
1.900 0.500 0.500 peak 521 weight 0.20000E+01 volume 0.19610E-01 ppm1 1.160 ppm2 1.750 CV 1
ASSI { 1162}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 87 and name HB# ))
2.500 0.800 0.800 peak 1162 weight 0.20000E+01 volume 0.36602E-02 ppm1 0.958 ppm2 1.985 CV 1
ASSI { 3453}
(( segid " " and resid 80 and name HB# ))
(( segid " " and resid 87 and name HB# ))
3.000 1.100 1.100 peak 3453 weight 0.20000E+01 volume 0.12449E-02 ppm1 2.941 ppm2 1.970 CV 1
ASSI { 2428}
(( segid " " and resid 80 and name HB# ))
(( segid " " and resid 87 and name HD# ))
2.800 0.900 0.900 peak 2428 weight 0.20000E+01 volume 0.21856E-02 ppm1 2.929 ppm2 4.103 CV 1
ASSI { 1346}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 80 and name HB# ))
3.000 1.100 1.100 peak 1346 weight 0.20000E+01 volume 0.12971E-02 ppm1 1.754 ppm2 2.811 CV 1
ASSI { 3156}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 81 and name HA ))
2.600 0.900 0.900 peak 3156 weight 0.20000E+01 volume 0.27645E-02 ppm1 3.942 ppm2 5.087 CV 1
ASSI { 1397}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 81 and name HA ))
3.500 1.500 1.500 peak 1397 weight 0.20000E+01 volume 0.53024E-03 ppm1 2.137 ppm2 5.055 CV 1
ASSI { 770}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 87 and name HB# ))
3.000 1.100 1.100 peak 770 weight 0.20000E+01 volume 0.13375E-02 ppm1 0.638 ppm2 2.176 CV 1
ASSI { 802}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 87 and name HB# ))
2.700 0.900 0.900 peak 802 weight 0.20000E+01 volume 0.26403E-02 ppm1 0.824 ppm2 2.169 CV 1
ASSI { 809}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 87 and name HB# ))
3.500 1.500 1.500 peak 809 weight 0.20000E+01 volume 0.55470E-03 ppm1 0.829 ppm2 2.009 CV 1
ASSI { 774}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 87 and name HD# ))
3.000 1.100 1.100 peak 774 weight 0.20000E+01 volume 0.13216E-02 ppm1 0.641 ppm2 3.938 CV 1
ASSI { 806}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 87 and name HD# ))
3.200 1.300 1.300 peak 806 weight 0.20000E+01 volume 0.87800E-03 ppm1 0.829 ppm2 4.078 CV 1
ASSI { 709}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 87 and name HA ))
3.000 1.100 1.100 peak 709 weight 0.20000E+01 volume 0.13902E-02 ppm1 0.977 ppm2 4.834 CV 1
ASSI { 784}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 87 and name HA ))
2.900 1.100 1.100 peak 784 weight 0.20000E+01 volume 0.14640E-02 ppm1 0.970 ppm2 4.842 CV 1
ASSI { 3376}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 86 and name HA ))
4.400 2.400 1.600 peak 3376 weight 0.20000E+01 volume 0.14036E-03 ppm1 4.852 ppm2 5.220 CV 1
ASSI { 3599}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 87 and name HA ))
5.600 3.900 0.400 peak 3599 weight 0.20000E+01 volume 0.30620E-04 ppm1 1.156 ppm2 4.851 CV 1
ASSI { 1507}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 87 and name HD# ))
3.300 1.400 1.400 peak 1507 weight 0.20000E+01 volume 0.69636E-03 ppm1 1.535 ppm2 3.961 CV 1
ASSI { 523}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 87 and name HD# ))
2.400 0.700 0.700 peak 523 weight 0.20000E+01 volume 0.45756E-02 ppm1 1.159 ppm2 3.944 CV 1
ASSI { 2044}
(( segid " " and resid 86 and name HB ))
(( segid " " and resid 87 and name HD# ))
3.200 1.300 1.300 peak 2044 weight 0.20000E+01 volume 0.81808E-03 ppm1 1.757 ppm2 4.105 CV 1
ASSI { 1345}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 86 and name HA ))
3.000 1.100 1.100 peak 1345 weight 0.20000E+01 volume 0.12720E-02 ppm1 1.758 ppm2 5.201 CV 1
ASSI { 1398}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 86 and name HA ))
3.100 1.200 1.200 peak 1398 weight 0.20000E+01 volume 0.11062E-02 ppm1 2.133 ppm2 5.189 CV 1
ASSI { 524}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 87 and name HG# ))
3.100 1.200 1.200 peak 524 weight 0.20000E+01 volume 0.11252E-02 ppm1 1.160 ppm2 2.158 CV 1
ASSI { 145}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB# ))
2.000 0.500 0.500 peak 145 weight 0.20000E+01 volume 0.12958E-01 ppm1 4.853 ppm2 2.175 CV 1
ASSI { 144}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB# ))
2.400 0.700 0.700 peak 144 weight 0.20000E+01 volume 0.51079E-02 ppm1 4.853 ppm2 2.006 CV 1
ASSI { 3467}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 87 and name HB# ))
4.200 2.200 1.800 peak 3467 weight 0.20000E+01 volume 0.16550E-03 ppm1 3.952 ppm2 2.007 CV 1
ASSI { 3377}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HD# ))
3.700 1.700 1.700 peak 3377 weight 0.20000E+01 volume 0.39148E-03 ppm1 4.855 ppm2 4.096 CV 1
ASSI { 1776}
(( segid " " and resid 87 and name HB# ))
(( segid " " and resid 87 and name HD# ))
3.000 1.200 1.200 peak 1776 weight 0.20000E+01 volume 0.11901E-02 ppm1 2.003 ppm2 4.089 CV 1
ASSI { 1340}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 87 and name HB# ))
2.300 0.700 0.700 peak 1340 weight 0.20000E+01 volume 0.66527E-02 ppm1 1.754 ppm2 2.002 CV 1
ASSI { 1396}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 87 and name HA ))
3.000 1.100 1.100 peak 1396 weight 0.20000E+01 volume 0.14408E-02 ppm1 2.141 ppm2 4.856 CV 1
ASSI { 146}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 88 and name HD# ))
2.300 0.600 0.600 peak 146 weight 0.20000E+01 volume 0.71648E-02 ppm1 4.850 ppm2 3.591 CV 1
ASSI { 1781}
(( segid " " and resid 87 and name HB# ))
(( segid " " and resid 88 and name HD# ))
3.100 1.200 1.200 peak 1781 weight 0.20000E+01 volume 0.10750E-02 ppm1 2.176 ppm2 3.570 CV 1
ASSI { 1796}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 88 and name HA ))
2.100 0.600 0.600 peak 1796 weight 0.20000E+01 volume 0.97434E-02 ppm1 2.047 ppm2 4.725 CV 1
ASSI { 89}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HB# ))
2.100 0.500 0.500 peak 89 weight 0.20000E+01 volume 0.12121E-01 ppm1 4.744 ppm2 2.443 CV 1
ASSI { 3513}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HD# ))
4.000 2.000 2.000 peak 3513 weight 0.20000E+01 volume 0.24489E-03 ppm1 4.741 ppm2 3.972 CV 1
ASSI { 1795}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 88 and name HD# ))
2.700 0.900 0.900 peak 1795 weight 0.20000E+01 volume 0.23694E-02 ppm1 2.045 ppm2 3.961 CV 1
ASSI { 1794}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 88 and name HD# ))
2.900 1.000 1.000 peak 1794 weight 0.20000E+01 volume 0.17186E-02 ppm1 2.044 ppm2 3.588 CV 1
ASSI { 15}
(( segid " " and resid 89 and name HB ))
( segid " " and resid 59 and name HG# )
3.300 1.300 1.300 peak 15 weight 0.20000E+01 volume 0.77790E-03 ppm1 4.248 ppm2 0.864 CV 1
ASSI { 926}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 59 and name HB ))
2.700 0.900 0.900 peak 926 weight 0.20000E+01 volume 0.27405E-02 ppm1 1.371 ppm2 2.400 CV 1
ASSI { 923}
( segid " " and resid 89 and name HG# )
( segid " " and resid 59 and name HG# )
2.200 0.600 0.600 peak 923 weight 0.20000E+01 volume 0.76370E-02 ppm1 1.375 ppm2 0.843 CV 1
ASSI { 924}
( segid " " and resid 89 and name HG# )
( segid " " and resid 59 and name HG# )
2.600 0.800 0.800 peak 924 weight 0.20000E+01 volume 0.31392E-02 ppm1 1.372 ppm2 0.940 CV 1
ASSI { 2218}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 89 and name HB ))
2.400 0.700 0.700 peak 2218 weight 0.20000E+01 volume 0.50467E-02 ppm1 3.939 ppm2 4.241 CV 1
ASSI { 930}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 60 and name HA# ))
2.200 0.600 0.600 peak 930 weight 0.20000E+01 volume 0.74951E-02 ppm1 1.371 ppm2 4.072 CV 1
ASSI { 9}
(( segid " " and resid 89 and name HB ))
( segid " " and resid 63 and name HD% )
3.800 1.800 1.800 peak 9 weight 0.20000E+01 volume 0.33612E-03 ppm1 4.242 ppm2 6.317 CV 1
ASSI { 10}
(( segid " " and resid 89 and name HB ))
( segid " " and resid 63 and name HE% )
4.000 2.000 2.000 peak 10 weight 0.20000E+01 volume 0.22743E-03 ppm1 4.242 ppm2 6.131 CV 1
ASSI { 927}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 63 and name HB# ))
4.100 2.100 1.900 peak 927 weight 0.20000E+01 volume 0.20381E-03 ppm1 1.371 ppm2 2.749 CV 1
ASSI { 934}
( segid " " and resid 89 and name HG# )
( segid " " and resid 63 and name HE% )
2.200 0.600 0.600 peak 934 weight 0.20000E+01 volume 0.74319E-02 ppm1 1.375 ppm2 6.112 CV 1
ASSI { 3464}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 89 and name HA ))
4.000 2.000 2.000 peak 3464 weight 0.20000E+01 volume 0.22356E-03 ppm1 2.454 ppm2 3.870 CV 1
ASSI { 933}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 88 and name HA ))
3.300 1.300 1.300 peak 933 weight 0.20000E+01 volume 0.76612E-03 ppm1 1.376 ppm2 4.733 CV 1
ASSI { 929}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 89 and name HA ))
2.000 0.500 0.500 peak 929 weight 0.20000E+01 volume 0.16278E-01 ppm1 1.375 ppm2 3.879 CV 1
ASSI { 14}
(( segid " " and resid 89 and name HB ))
( segid " " and resid 89 and name HG# )
2.100 0.500 0.500 peak 14 weight 0.20000E+01 volume 0.12110E-01 ppm1 4.244 ppm2 1.369 CV 1
ASSI { 232}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 58 and name HA ))
3.900 1.900 1.900 peak 232 weight 0.20000E+01 volume 0.28057E-03 ppm1 4.418 ppm2 4.989 CV 1
ASSI { 231}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 58 and name HB ))
3.000 1.100 1.100 peak 231 weight 0.20000E+01 volume 0.14017E-02 ppm1 4.427 ppm2 4.802 CV 1
ASSI { 230}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 58 and name HG# )
2.700 0.900 0.900 peak 230 weight 0.20000E+01 volume 0.23401E-02 ppm1 4.424 ppm2 1.260 CV 1
ASSI { 51}
(( segid " " and resid 90 and name HB# ))
(( segid " " and resid 90 and name HA ))
2.200 0.600 0.600 peak 51 weight 0.20000E+01 volume 0.83440E-02 ppm1 3.895 ppm2 4.430 CV 1
ASSI { 674}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 59 and name HN ))
3.100 1.200 1.200 peak 674 weight 0.20000E+01 volume 0.10576E-02 ppm1 1.506 ppm2 9.130 CV 1
ASSI { 673}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 87 and name HA ))
4.600 2.600 1.400 peak 673 weight 0.20000E+01 volume 0.17920E-02 ppm1 1.506 ppm2 4.862 CV 1
ASSI { 3512}
(( segid " " and resid 88 and name HA ))
( segid " " and resid 91 and name HB% )
3.600 1.600 1.600 peak 3512 weight 0.20000E+01 volume 0.42855E-03 ppm1 4.741 ppm2 1.512 CV 1
ASSI { 2738}
(( segid " " and resid 88 and name HB# ))
( segid " " and resid 91 and name HB% )
2.700 0.900 0.900 peak 2738 weight 0.20000E+01 volume 0.23078E-02 ppm1 2.457 ppm2 1.518 CV 1
ASSI { 670}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 88 and name HD# ))
2.500 0.800 0.800 peak 670 weight 0.20000E+01 volume 0.42975E-02 ppm1 1.506 ppm2 3.587 CV 1
ASSI { 385}
(( segid " " and resid 91 and name HA ))
( segid " " and resid 91 and name HB% )
1.800 0.400 0.400 peak 385 weight 0.20000E+01 volume 0.24245E-01 ppm1 4.511 ppm2 1.493 CV 1
ASSI { 376}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 92 and name HB ))
2.500 0.800 0.800 peak 376 weight 0.20000E+01 volume 0.36019E-02 ppm1 4.537 ppm2 4.872 CV 1
ASSI { 2501}
(( segid " " and resid 56 and name HB# ))
( segid " " and resid 92 and name HG# )
2.900 1.100 1.100 peak 2501 weight 0.20000E+01 volume 0.15962E-02 ppm1 2.787 ppm2 1.230 CV 1
ASSI { 2502}
(( segid " " and resid 56 and name HB# ))
( segid " " and resid 92 and name HG# )
2.900 1.100 1.100 peak 2502 weight 0.20000E+01 volume 0.14737E-02 ppm1 2.681 ppm2 1.235 CV 1
ASSI { 176}
(( segid " " and resid 92 and name HA ))
( segid " " and resid 57 and name HD# )
3.800 1.800 1.800 peak 176 weight 0.20000E+01 volume 0.33398E-03 ppm1 4.913 ppm2 0.962 CV 1
ASSI { 3402}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 58 and name HA ))
2.300 0.700 0.700 peak 3402 weight 0.20000E+01 volume 0.64918E-02 ppm1 1.218 ppm2 4.962 CV 1
ASSI { 180}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 59 and name HN ))
3.500 1.500 1.500 peak 180 weight 0.20000E+01 volume 0.56432E-03 ppm1 4.910 ppm2 9.098 CV 1
ASSI { 7}
(( segid " " and resid 92 and name HB ))
( segid " " and resid 92 and name HG# )
2.100 0.500 0.500 peak 7 weight 0.20000E+01 volume 0.11932E-01 ppm1 4.881 ppm2 1.214 CV 1
ASSI { 3009}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 33 and name HG# )
4.500 2.500 1.500 peak 3009 weight 0.20000E+01 volume 0.12234E-03 ppm1 4.351 ppm2 0.580 CV 1
ASSI { 860}
( segid " " and resid 33 and name HG# )
( segid " " and resid 93 and name HE% )
2.200 0.600 0.600 peak 860 weight 0.20000E+01 volume 0.78809E-02 ppm1 0.639 ppm2 0.973 CV 1
ASSI { 1852}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 93 and name HB# ))
2.900 1.100 1.100 peak 1852 weight 0.20000E+01 volume 0.14579E-02 ppm1 1.976 ppm2 1.407 CV 1
ASSI { 2861}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 93 and name HN ))
3.400 1.400 1.400 peak 2861 weight 0.20000E+01 volume 0.62501E-03 ppm1 3.698 ppm2 9.337 CV 1
ASSI { 378}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 93 and name HN ))
3.700 1.700 1.700 peak 378 weight 0.20000E+01 volume 0.35150E-03 ppm1 4.541 ppm2 9.323 CV 1
ASSI { 2143}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 93 and name HG# ))
3.000 1.100 1.100 peak 2143 weight 0.20000E+01 volume 0.12501E-02 ppm1 1.711 ppm2 2.194 CV 1
ASSI { 2144}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 93 and name HG# ))
3.200 1.300 1.300 peak 2144 weight 0.20000E+01 volume 0.85127E-03 ppm1 1.714 ppm2 2.365 CV 1
ASSI { 140}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 93 and name HN ))
2.700 0.900 0.900 peak 140 weight 0.20000E+01 volume 0.22134E-02 ppm1 4.997 ppm2 9.346 CV 1
ASSI { 495}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 62 and name HB# ))
3.400 1.400 1.400 peak 495 weight 0.20000E+01 volume 0.62279E-03 ppm1 0.976 ppm2 3.257 CV 1
ASSI { 502}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 62 and name HZ ))
3.600 1.600 1.600 peak 502 weight 0.20000E+01 volume 0.42154E-03 ppm1 0.972 ppm2 6.243 CV 1
ASSI { 179}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 93 and name HG# ))
4.300 2.300 1.700 peak 179 weight 0.20000E+01 volume 0.16059E-03 ppm1 4.911 ppm2 2.379 CV 1
ASSI { 8}
(( segid " " and resid 92 and name HB ))
(( segid " " and resid 93 and name HN ))
2.400 0.700 0.700 peak 8 weight 0.20000E+01 volume 0.49246E-02 ppm1 4.879 ppm2 9.346 CV 1
ASSI { 3399}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 93 and name HN ))
2.800 1.000 1.000 peak 3399 weight 0.20000E+01 volume 0.18053E-02 ppm1 1.218 ppm2 9.349 CV 1
ASSI { 3015}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HB# ))
2.500 0.800 0.800 peak 3015 weight 0.20000E+01 volume 0.37074E-02 ppm1 4.354 ppm2 1.969 CV 1
ASSI { 497}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 93 and name HA ))
2.400 0.700 0.700 peak 497 weight 0.20000E+01 volume 0.48199E-02 ppm1 0.976 ppm2 4.343 CV 1
ASSI { 1558}
(( segid " " and resid 93 and name HB# ))
(( segid " " and resid 93 and name HG# ))
2.100 0.600 0.600 peak 1558 weight 0.20000E+01 volume 0.98688E-02 ppm1 1.973 ppm2 2.201 CV 1
ASSI { 3021}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HN ))
2.600 0.900 0.900 peak 3021 weight 0.20000E+01 volume 0.28749E-02 ppm1 4.354 ppm2 9.344 CV 1
ASSI { 1565}
(( segid " " and resid 93 and name HB# ))
(( segid " " and resid 93 and name HN ))
2.700 0.900 0.900 peak 1565 weight 0.20000E+01 volume 0.24459E-02 ppm1 1.978 ppm2 9.344 CV 1
ASSI { 500}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 93 and name HN ))
3.000 1.100 1.100 peak 500 weight 0.20000E+01 volume 0.13675E-02 ppm1 0.976 ppm2 9.348 CV 1
ASSI { 2724}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 93 and name HN ))
2.700 0.900 0.900 peak 2724 weight 0.20000E+01 volume 0.25677E-02 ppm1 2.177 ppm2 9.345 CV 1
ASSI { 657}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 94 and name HA# ))
2.600 0.900 0.900 peak 657 weight 0.20000E+01 volume 0.27993E-02 ppm1 0.407 ppm2 4.010 CV 1
ASSI { 2856}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 94 and name HA# ))
2.500 0.800 0.800 peak 2856 weight 0.20000E+01 volume 0.36995E-02 ppm1 3.695 ppm2 4.017 CV 1
ASSI { 2810}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 94 and name HA# ))
2.400 0.700 0.700 peak 2810 weight 0.20000E+01 volume 0.53152E-02 ppm1 3.716 ppm2 4.031 CV 1
ASSI { 2811}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 94 and name HA# ))
2.500 0.800 0.800 peak 2811 weight 0.20000E+01 volume 0.34819E-02 ppm1 3.655 ppm2 4.028 CV 1
ASSI { 700}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 95 and name HA ))
4.300 2.300 1.700 peak 700 weight 0.20000E+01 volume 0.15691E-03 ppm1 1.505 ppm2 4.146 CV 1
ASSI { 2777}
(( segid " " and resid 95 and name HB# ))
(( segid " " and resid 91 and name HA ))
3.300 1.400 1.400 peak 2777 weight 0.20000E+01 volume 0.74534E-03 ppm1 2.403 ppm2 4.520 CV 1
ASSI { 3405}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 95 and name HG# ))
3.700 1.700 1.700 peak 3405 weight 0.20000E+01 volume 0.39141E-03 ppm1 1.217 ppm2 2.469 CV 1
ASSI { 2944}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HB# ))
1.900 0.500 0.500 peak 2944 weight 0.20000E+01 volume 0.18770E-01 ppm1 4.153 ppm2 2.358 CV 1
ASSI { 2943}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HB# ))
2.000 0.500 0.500 peak 2943 weight 0.20000E+01 volume 0.13719E-01 ppm1 4.150 ppm2 2.136 CV 1
ASSI { 2686}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 95 and name HA ))
2.100 0.500 0.500 peak 2686 weight 0.20000E+01 volume 0.11810E-01 ppm1 2.493 ppm2 4.149 CV 1
ASSI { 2685}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 95 and name HB# ))
1.900 0.500 0.500 peak 2685 weight 0.20000E+01 volume 0.20222E-01 ppm1 2.490 ppm2 2.121 CV 1
ASSI { 768}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 96 and name HB# ))
2.600 0.800 0.800 peak 768 weight 0.20000E+01 volume 0.31809E-02 ppm1 0.641 ppm2 1.828 CV 1
ASSI { 3473}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 96 and name HB# ))
3.400 1.400 1.400 peak 3473 weight 0.20000E+01 volume 0.61261E-03 ppm1 0.640 ppm2 1.606 CV 1
ASSI { 3398}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 87 and name HB# ))
2.800 1.000 1.000 peak 3398 weight 0.20000E+01 volume 0.18178E-02 ppm1 0.910 ppm2 1.994 CV 1
ASSI { 1005}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 88 and name HD# ))
4.200 2.200 1.800 peak 1005 weight 0.20000E+01 volume 0.17360E-03 ppm1 0.904 ppm2 3.591 CV 1
ASSI { 699}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 96 and name HA ))
4.200 2.200 1.800 peak 699 weight 0.20000E+01 volume 0.17457E-03 ppm1 1.504 ppm2 4.241 CV 1
ASSI { 999}
( segid " " and resid 96 and name HD# )
( segid " " and resid 91 and name HB% )
2.400 0.700 0.700 peak 999 weight 0.20000E+01 volume 0.44436E-02 ppm1 0.898 ppm2 1.479 CV 1
ASSI { 2108}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 93 and name HA ))
2.500 0.800 0.800 peak 2108 weight 0.20000E+01 volume 0.37165E-02 ppm1 1.824 ppm2 4.351 CV 1
ASSI { 3578}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 93 and name HA ))
2.800 1.000 1.000 peak 3578 weight 0.20000E+01 volume 0.18729E-02 ppm1 0.901 ppm2 4.342 CV 1
ASSI { 3011}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 96 and name HD# )
2.400 0.700 0.700 peak 3011 weight 0.20000E+01 volume 0.51792E-02 ppm1 4.354 ppm2 0.920 CV 1
ASSI { 2107}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 96 and name HA ))
2.400 0.700 0.700 peak 2107 weight 0.20000E+01 volume 0.51264E-02 ppm1 1.824 ppm2 4.251 CV 1
ASSI { 1004}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 96 and name HA ))
2.100 0.600 0.600 peak 1004 weight 0.20000E+01 volume 0.10615E-01 ppm1 0.900 ppm2 4.255 CV 1
ASSI { 2103}
(( segid " " and resid 96 and name HB# ))
( segid " " and resid 96 and name HD# )
2.000 0.500 0.500 peak 2103 weight 0.20000E+01 volume 0.17208E-01 ppm1 1.821 ppm2 0.908 CV 1
ASSI { 1000}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 96 and name HB# ))
2.200 0.600 0.600 peak 1000 weight 0.20000E+01 volume 0.78632E-02 ppm1 0.898 ppm2 1.613 CV 1
ASSI { 71}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 31 and name HG# )
3.500 1.500 1.500 peak 71 weight 0.20000E+01 volume 0.52560E-03 ppm1 3.852 ppm2 0.394 CV 1
ASSI { 655}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 97 and name HB# ))
2.500 0.800 0.800 peak 655 weight 0.20000E+01 volume 0.38187E-02 ppm1 0.408 ppm2 3.316 CV 1
ASSI { 697}
( segid " " and resid 31 and name HG# )
( segid " " and resid 97 and name HE% )
4.300 2.300 1.700 peak 697 weight 0.20000E+01 volume 0.15331E-03 ppm1 0.411 ppm2 6.796 CV 1
ASSI { 829}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 97 and name HN ))
3.000 1.100 1.100 peak 829 weight 0.20000E+01 volume 0.13155E-02 ppm1 0.390 ppm2 9.004 CV 1
ASSI { 663}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 97 and name HN ))
2.800 1.000 1.000 peak 663 weight 0.20000E+01 volume 0.18033E-02 ppm1 0.407 ppm2 9.018 CV 1
ASSI { 3020}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 97 and name HN ))
3.300 1.400 1.400 peak 3020 weight 0.20000E+01 volume 0.72095E-03 ppm1 4.354 ppm2 9.023 CV 1
ASSI { 2205}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 97 and name HB# ))
3.000 1.100 1.100 peak 2205 weight 0.20000E+01 volume 0.13462E-02 ppm1 3.713 ppm2 3.049 CV 1
ASSI { 2204}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 97 and name HB# ))
2.800 1.000 1.000 peak 2204 weight 0.20000E+01 volume 0.17902E-02 ppm1 4.030 ppm2 3.045 CV 1
ASSI { 2211}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 97 and name HN ))
3.000 1.100 1.100 peak 2211 weight 0.20000E+01 volume 0.13686E-02 ppm1 3.716 ppm2 9.026 CV 1
ASSI { 3250}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 97 and name HN ))
3.000 1.100 1.100 peak 3250 weight 0.20000E+01 volume 0.13392E-02 ppm1 4.254 ppm2 9.013 CV 1
ASSI { 2116}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 97 and name HN ))
2.700 0.900 0.900 peak 2116 weight 0.20000E+01 volume 0.25908E-02 ppm1 1.824 ppm2 9.021 CV 1
ASSI { 2115}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 97 and name HN ))
2.700 0.900 0.900 peak 2115 weight 0.20000E+01 volume 0.22235E-02 ppm1 1.615 ppm2 9.017 CV 1
ASSI { 1009}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 97 and name HN ))
3.200 1.300 1.300 peak 1009 weight 0.20000E+01 volume 0.91874E-03 ppm1 0.898 ppm2 9.011 CV 1
ASSI { 1356}
(( segid " " and resid 96 and name HG ))
(( segid " " and resid 97 and name HN ))
3.000 1.100 1.100 peak 1356 weight 0.20000E+01 volume 0.12277E-02 ppm1 1.827 ppm2 9.011 CV 1
ASSI { 2773}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 95 and name HA ))
2.300 0.700 0.700 peak 2773 weight 0.20000E+01 volume 0.59126E-02 ppm1 2.333 ppm2 4.143 CV 1
ASSI { 2772}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 95 and name HA ))
2.300 0.600 0.600 peak 2772 weight 0.20000E+01 volume 0.68764E-02 ppm1 2.281 ppm2 4.131 CV 1
ASSI { 2689}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 95 and name HA ))
2.500 0.800 0.800 peak 2689 weight 0.20000E+01 volume 0.43888E-02 ppm1 2.588 ppm2 4.149 CV 1
ASSI { 2886}
(( segid " " and resid 98 and name HA ))
( segid " " and resid 97 and name HD% )
2.200 0.600 0.600 peak 2886 weight 0.20000E+01 volume 0.82904E-02 ppm1 4.057 ppm2 6.952 CV 1
ASSI { 2884}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB# ))
1.900 0.500 0.500 peak 2884 weight 0.20000E+01 volume 0.18064E-01 ppm1 4.060 ppm2 2.310 CV 1
ASSI { 2768}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 98 and name HG# ))
2.100 0.500 0.500 peak 2768 weight 0.20000E+01 volume 0.12428E-01 ppm1 2.329 ppm2 2.575 CV 1
ASSI { 2690}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 98 and name HA ))
2.200 0.600 0.600 peak 2690 weight 0.20000E+01 volume 0.89229E-02 ppm1 2.594 ppm2 4.035 CV 1
ASSI { 2688}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 98 and name HB# ))
1.800 0.400 0.400 peak 2688 weight 0.20000E+01 volume 0.29692E-01 ppm1 2.591 ppm2 2.305 CV 1
ASSI { 2769}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 98 and name HG# ))
2.100 0.500 0.500 peak 2769 weight 0.20000E+01 volume 0.12716E-01 ppm1 2.282 ppm2 2.583 CV 1
ASSI { 3577}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 99 and name HB# ))
4.300 2.300 1.700 peak 3577 weight 0.20000E+01 volume 0.15220E-03 ppm1 4.149 ppm2 1.798 CV 1
ASSI { 1713}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 96 and name HA ))
2.800 1.000 1.000 peak 1713 weight 0.20000E+01 volume 0.21663E-02 ppm1 1.819 ppm2 4.254 CV 1
ASSI { 1968}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 96 and name HA ))
3.300 1.400 1.400 peak 1968 weight 0.20000E+01 volume 0.72574E-03 ppm1 2.057 ppm2 4.256 CV 1
ASSI { 1816}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 99 and name HA ))
2.000 0.500 0.500 peak 1816 weight 0.20000E+01 volume 0.12979E-01 ppm1 1.491 ppm2 3.985 CV 1
ASSI { 1715}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 99 and name HG# ))
2.200 0.600 0.600 peak 1715 weight 0.20000E+01 volume 0.82085E-02 ppm1 1.814 ppm2 2.050 CV 1
ASSI { 1966}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 99 and name HA ))
2.300 0.700 0.700 peak 1966 weight 0.20000E+01 volume 0.58581E-02 ppm1 1.600 ppm2 3.985 CV 1
ASSI { 1965}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 99 and name HB# ))
2.000 0.500 0.500 peak 1965 weight 0.20000E+01 volume 0.14554E-01 ppm1 1.594 ppm2 1.470 CV 1
ASSI { 1963}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 99 and name HB# ))
2.000 0.500 0.500 peak 1963 weight 0.20000E+01 volume 0.13808E-01 ppm1 1.594 ppm2 1.814 CV 1
ASSI { 265}
(( segid " " and resid 100 and name HA ))
( segid " " and resid 82 and name HG# )
4.100 2.100 1.900 peak 265 weight 0.20000E+01 volume 0.20014E-03 ppm1 4.775 ppm2 0.641 CV 1
ASSI { 772}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 100 and name HB# ))
2.400 0.700 0.700 peak 772 weight 0.20000E+01 volume 0.48879E-02 ppm1 0.635 ppm2 2.810 CV 1
ASSI { 773}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 100 and name HB# ))
2.300 0.700 0.700 peak 773 weight 0.20000E+01 volume 0.59306E-02 ppm1 0.644 ppm2 3.053 CV 1
ASSI { 804}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 100 and name HB# ))
2.700 0.900 0.900 peak 804 weight 0.20000E+01 volume 0.27319E-02 ppm1 0.831 ppm2 3.066 CV 1
ASSI { 780}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 100 and name HD# ))
2.600 0.800 0.800 peak 780 weight 0.20000E+01 volume 0.33864E-02 ppm1 0.639 ppm2 6.951 CV 1
ASSI { 811}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 100 and name HD# ))
3.100 1.200 1.200 peak 811 weight 0.20000E+01 volume 0.11497E-02 ppm1 0.828 ppm2 6.947 CV 1
ASSI { 781}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 100 and name HE# ))
3.400 1.500 1.500 peak 781 weight 0.20000E+01 volume 0.60623E-03 ppm1 0.635 ppm2 7.774 CV 1
ASSI { 2638}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 100 and name HE# ))
3.100 1.200 1.200 peak 2638 weight 0.20000E+01 volume 0.11174E-02 ppm1 3.007 ppm2 7.775 CV 1
ASSI { 2637}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 100 and name HE# ))
3.200 1.300 1.300 peak 2637 weight 0.20000E+01 volume 0.87558E-03 ppm1 2.695 ppm2 7.805 CV 1
ASSI { 710}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 100 and name HE# ))
2.700 0.900 0.900 peak 710 weight 0.20000E+01 volume 0.24690E-02 ppm1 0.980 ppm2 7.782 CV 1
ASSI { 2112}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 100 and name HD# ))
2.900 1.000 1.000 peak 2112 weight 0.20000E+01 volume 0.16465E-02 ppm1 1.819 ppm2 6.948 CV 1
ASSI { 2111}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 100 and name HD# ))
2.800 1.000 1.000 peak 2111 weight 0.20000E+01 volume 0.18362E-02 ppm1 1.615 ppm2 6.948 CV 1
ASSI { 1007}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 100 and name HD# ))
2.300 0.700 0.700 peak 1007 weight 0.20000E+01 volume 0.63079E-02 ppm1 0.898 ppm2 6.950 CV 1
ASSI { 1202}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 100 and name HD# ))
2.400 0.700 0.700 peak 1202 weight 0.20000E+01 volume 0.51615E-02 ppm1 0.910 ppm2 6.940 CV 1
ASSI { 3285}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 100 and name HB# ))
4.200 2.200 1.800 peak 3285 weight 0.20000E+01 volume 0.17956E-03 ppm1 3.853 ppm2 2.794 CV 1
ASSI { 2887}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 100 and name HN ))
3.500 1.500 1.500 peak 2887 weight 0.20000E+01 volume 0.50342E-03 ppm1 4.057 ppm2 8.139 CV 1
ASSI { 2924}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 100 and name HD# ))
3.100 1.200 1.200 peak 2924 weight 0.20000E+01 volume 0.10661E-02 ppm1 3.981 ppm2 6.939 CV 1
ASSI { 1711}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 100 and name HD# ))
2.600 0.800 0.800 peak 1711 weight 0.20000E+01 volume 0.33825E-02 ppm1 1.487 ppm2 6.977 CV 1
ASSI { 1712}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 100 and name HD# ))
2.600 0.800 0.800 peak 1712 weight 0.20000E+01 volume 0.34622E-02 ppm1 1.813 ppm2 6.950 CV 1
ASSI { 1970}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 100 and name HD# ))
3.100 1.200 1.200 peak 1970 weight 0.20000E+01 volume 0.10263E-02 ppm1 2.065 ppm2 6.928 CV 1
ASSI { 1969}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 100 and name HD# ))
3.100 1.200 1.200 peak 1969 weight 0.20000E+01 volume 0.10533E-02 ppm1 1.592 ppm2 6.957 CV 1
ASSI { 2698}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 100 and name HA ))
2.400 0.700 0.700 peak 2698 weight 0.20000E+01 volume 0.47598E-02 ppm1 2.805 ppm2 4.769 CV 1
ASSI { 268}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB# ))
2.200 0.600 0.600 peak 268 weight 0.20000E+01 volume 0.77501E-02 ppm1 4.774 ppm2 3.078 CV 1
ASSI { 269}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HD# ))
3.900 1.900 1.900 peak 269 weight 0.20000E+01 volume 0.26719E-03 ppm1 4.782 ppm2 6.946 CV 1
ASSI { 2701}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 100 and name HD# ))
2.700 0.900 0.900 peak 2701 weight 0.20000E+01 volume 0.24089E-02 ppm1 3.078 ppm2 6.944 CV 1
ASSI { 776}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 101 and name HA ))
3.800 1.800 1.800 peak 776 weight 0.20000E+01 volume 0.29498E-03 ppm1 0.639 ppm2 4.281 CV 1
ASSI { 1387}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 97 and name HA ))
3.200 1.300 1.300 peak 1387 weight 0.20000E+01 volume 0.87170E-03 ppm1 2.266 ppm2 3.863 CV 1
ASSI { 1388}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 97 and name HA ))
3.400 1.400 1.400 peak 1388 weight 0.20000E+01 volume 0.63658E-03 ppm1 2.064 ppm2 3.870 CV 1
ASSI { 2958}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 101 and name HB# ))
2.200 0.600 0.600 peak 2958 weight 0.20000E+01 volume 0.74240E-02 ppm1 4.265 ppm2 2.256 CV 1
ASSI { 1379}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 101 and name HA ))
2.300 0.700 0.700 peak 1379 weight 0.20000E+01 volume 0.63757E-02 ppm1 2.077 ppm2 4.256 CV 1
ASSI { 3331}
(( segid " " and resid 102 and name HG# ))
(( segid " " and resid 101 and name HD# ))
4.200 2.200 1.800 peak 3331 weight 0.20000E+01 volume 0.18663E-03 ppm1 3.049 ppm2 6.959 CV 1
ASSI { 2750}
(( segid " " and resid 102 and name HB# ))
(( segid " " and resid 102 and name HA ))
2.400 0.700 0.700 peak 2750 weight 0.20000E+01 volume 0.46263E-02 ppm1 2.719 ppm2 4.660 CV 1
ASSI { 272}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 102 and name HG# ))
2.900 1.100 1.100 peak 272 weight 0.20000E+01 volume 0.15597E-02 ppm1 4.656 ppm2 3.049 CV 1
ASSI { 270}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 102 and name HG# ))
2.200 0.600 0.600 peak 270 weight 0.20000E+01 volume 0.95603E-02 ppm1 4.656 ppm2 2.430 CV 1
ASSI { 2938}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 13 and name HZ ))
3.000 1.100 1.100 peak 2938 weight 0.20000E+01 volume 0.13891E-02 ppm1 4.085 ppm2 7.299 CV 1
ASSI { 2758}
(( segid " " and resid 103 and name HB# ))
( segid " " and resid 13 and name HE% )
2.600 0.800 0.800 peak 2758 weight 0.20000E+01 volume 0.33363E-02 ppm1 2.368 ppm2 7.154 CV 1
ASSI { 2641}
(( segid " " and resid 103 and name HG# ))
( segid " " and resid 13 and name HE% )
2.600 0.900 0.900 peak 2641 weight 0.20000E+01 volume 0.30106E-02 ppm1 2.433 ppm2 7.156 CV 1
ASSI { 2642}
(( segid " " and resid 103 and name HG# ))
(( segid " " and resid 13 and name HZ ))
2.600 0.800 0.800 peak 2642 weight 0.20000E+01 volume 0.30983E-02 ppm1 2.436 ppm2 7.303 CV 1
ASSI { 2270}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 103 and name HG# ))
3.400 1.500 1.500 peak 2270 weight 0.20000E+01 volume 0.59841E-03 ppm1 3.125 ppm2 2.421 CV 1
ASSI { 2269}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 103 and name HG# ))
3.900 1.900 1.900 peak 2269 weight 0.20000E+01 volume 0.26796E-03 ppm1 3.356 ppm2 2.409 CV 1
ASSI { 2939}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 102 and name HA ))
3.400 1.500 1.500 peak 2939 weight 0.20000E+01 volume 0.60298E-03 ppm1 4.093 ppm2 4.659 CV 1
ASSI { 2942}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HB# ))
2.200 0.600 0.600 peak 2942 weight 0.20000E+01 volume 0.92671E-02 ppm1 4.089 ppm2 2.176 CV 1
ASSI { 2640}
(( segid " " and resid 103 and name HG# ))
(( segid " " and resid 103 and name HA ))
2.000 0.500 0.500 peak 2640 weight 0.20000E+01 volume 0.13782E-01 ppm1 2.433 ppm2 4.090 CV 1
ASSI { 2639}
(( segid " " and resid 103 and name HG# ))
(( segid " " and resid 103 and name HB# ))
1.800 0.400 0.400 peak 2639 weight 0.20000E+01 volume 0.24381E-01 ppm1 2.433 ppm2 2.179 CV 1
ASSI { 3058}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 17 and name HB# ))
2.600 0.800 0.800 peak 3058 weight 0.20000E+01 volume 0.30983E-02 ppm1 4.143 ppm2 0.907 CV 1
ASSI { 2273}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 104 and name HA ))
3.000 1.100 1.100 peak 2273 weight 0.20000E+01 volume 0.14255E-02 ppm1 3.125 ppm2 4.126 CV 1
ASSI { 2274}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 104 and name HA ))
2.900 1.100 1.100 peak 2274 weight 0.20000E+01 volume 0.15272E-02 ppm1 3.353 ppm2 4.122 CV 1
ASSI { 3060}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 17 and name HG# ))
2.500 0.800 0.800 peak 3060 weight 0.20000E+01 volume 0.43322E-02 ppm1 4.135 ppm2 1.819 CV 1
ASSI { 214}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 104 and name HB# ))
3.100 1.200 1.200 peak 214 weight 0.20000E+01 volume 0.10268E-02 ppm1 4.447 ppm2 2.426 CV 1
ASSI { 2850}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 20 and name HA# ))
3.000 1.100 1.100 peak 2850 weight 0.20000E+01 volume 0.13485E-02 ppm1 3.598 ppm2 3.084 CV 1
ASSI { 2196}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 105 and name HB# ))
2.500 0.800 0.800 peak 2196 weight 0.20000E+01 volume 0.34850E-02 ppm1 3.086 ppm2 3.477 CV 1
ASSI { 2195}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 105 and name HB# ))
2.500 0.800 0.800 peak 2195 weight 0.20000E+01 volume 0.40211E-02 ppm1 4.087 ppm2 3.477 CV 1
ASSI { 2193}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 105 and name HB# ))
2.600 0.900 0.900 peak 2193 weight 0.20000E+01 volume 0.28238E-02 ppm1 3.086 ppm2 2.944 CV 1
ASSI { 2673}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 21 and name HA ))
3.000 1.100 1.100 peak 2673 weight 0.20000E+01 volume 0.12360E-02 ppm1 2.942 ppm2 3.198 CV 1
ASSI { 2852}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 101 and name HD# ))
2.700 0.900 0.900 peak 2852 weight 0.20000E+01 volume 0.22436E-02 ppm1 3.598 ppm2 6.952 CV 1
ASSI { 2676}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 105 and name HA ))
2.200 0.600 0.600 peak 2676 weight 0.20000E+01 volume 0.84274E-02 ppm1 3.486 ppm2 3.594 CV 1
ASSI { 2681}
(( segid " " and resid 105 and name HB# ))
( segid " " and resid 105 and name HD% )
2.700 0.900 0.900 peak 2681 weight 0.20000E+01 volume 0.25055E-02 ppm1 3.480 ppm2 7.087 CV 1
ASSI { 2755}
(( segid " " and resid 19 and name HB# ))
(( segid " " and resid 106 and name HZ ))
2.700 0.900 0.900 peak 2755 weight 0.20000E+01 volume 0.24378E-02 ppm1 2.359 ppm2 6.927 CV 1
ASSI { 2656}
(( segid " " and resid 19 and name HG# ))
(( segid " " and resid 106 and name HZ ))
2.700 0.900 0.900 peak 2656 weight 0.20000E+01 volume 0.24540E-02 ppm1 2.463 ppm2 6.923 CV 1
ASSI { 2201}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 106 and name HZ ))
3.200 1.300 1.300 peak 2201 weight 0.20000E+01 volume 0.88604E-03 ppm1 3.081 ppm2 6.909 CV 1
ASSI { 476}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 106 and name HZ ))
2.400 0.700 0.700 peak 476 weight 0.20000E+01 volume 0.47878E-02 ppm1 0.883 ppm2 6.936 CV 1
ASSI { 3573}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 106 and name HZ ))
4.300 2.300 1.700 peak 3573 weight 0.20000E+01 volume 0.15393E-03 ppm1 0.868 ppm2 6.915 CV 1
ASSI { 2457}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 106 and name HA ))
3.500 1.500 1.500 peak 2457 weight 0.20000E+01 volume 0.55130E-03 ppm1 3.243 ppm2 4.787 CV 1
ASSI { 2787}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 106 and name HA ))
2.700 0.900 0.900 peak 2787 weight 0.20000E+01 volume 0.25685E-02 ppm1 2.528 ppm2 4.777 CV 1
ASSI { 1275}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 106 and name HA ))
3.100 1.200 1.200 peak 1275 weight 0.20000E+01 volume 0.10514E-02 ppm1 1.431 ppm2 4.764 CV 1
ASSI { 1741}
(( segid " " and resid 32 and name HB# ))
(( segid " " and resid 106 and name HZ ))
2.900 1.000 1.000 peak 1741 weight 0.20000E+01 volume 0.17237E-02 ppm1 1.883 ppm2 6.903 CV 1
ASSI { 1743}
(( segid " " and resid 32 and name HB# ))
(( segid " " and resid 106 and name HZ ))
3.300 1.400 1.400 peak 1743 weight 0.20000E+01 volume 0.74375E-03 ppm1 1.599 ppm2 6.910 CV 1
ASSI { 571}
( segid " " and resid 34 and name HG# )
( segid " " and resid 106 and name HD% )
2.800 1.000 1.000 peak 571 weight 0.20000E+01 volume 0.19173E-02 ppm1 0.647 ppm2 6.881 CV 1
ASSI { 3485}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 106 and name HZ ))
3.500 1.500 1.500 peak 3485 weight 0.20000E+01 volume 0.54430E-03 ppm1 1.534 ppm2 6.927 CV 1
ASSI { 3295}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 106 and name HZ ))
2.700 0.900 0.900 peak 3295 weight 0.20000E+01 volume 0.22389E-02 ppm1 2.770 ppm2 6.933 CV 1
ASSI { 2067}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 105 and name HN ))
3.100 1.200 1.900 peak 2067 weight 0.20000E+01 volume 0.10885E-02 ppm1 2.022 ppm2 7.878 CV 1
ASSI { 2855}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 106 and name HN ))
3.100 1.200 1.200 peak 2855 weight 0.20000E+01 volume 0.11070E-02 ppm1 3.598 ppm2 8.698 CV 1
ASSI { 2065}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 106 and name HA ))
2.600 0.900 0.900 peak 2065 weight 0.20000E+01 volume 0.29202E-02 ppm1 2.008 ppm2 4.779 CV 1
ASSI { 2066}
(( segid " " and resid 106 and name HB# ))
( segid " " and resid 106 and name HD% )
2.500 0.800 0.800 peak 2066 weight 0.20000E+01 volume 0.39277E-02 ppm1 2.014 ppm2 6.873 CV 1
ASSI { 2167}
(( segid " " and resid 107 and name HB# ))
( segid " " and resid 31 and name HG# )
3.700 1.700 1.700 peak 2167 weight 0.20000E+01 volume 0.38449E-03 ppm1 1.365 ppm2 0.368 CV 1
ASSI { 649}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 107 and name HG ))
3.200 1.300 1.300 peak 649 weight 0.20000E+01 volume 0.94347E-03 ppm1 0.411 ppm2 0.755 CV 1
ASSI { 895}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 107 and name HA ))
4.200 2.200 1.800 peak 895 weight 0.20000E+01 volume 0.18608E-03 ppm1 0.586 ppm2 4.702 CV 1
ASSI { 2179}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 33 and name HA ))
2.900 1.000 1.000 peak 2179 weight 0.20000E+01 volume 0.16942E-02 ppm1 2.052 ppm2 5.114 CV 1
ASSI { 864}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 107 and name HG ))
2.000 0.500 0.500 peak 864 weight 0.20000E+01 volume 0.13392E-01 ppm1 0.592 ppm2 0.748 CV 1
ASSI { 3379}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 107 and name HA ))
3.600 1.700 1.700 peak 3379 weight 0.20000E+01 volume 0.40894E-03 ppm1 0.639 ppm2 4.720 CV 1
ASSI { 3357}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 107 and name HG ))
2.300 0.700 0.700 peak 3357 weight 0.20000E+01 volume 0.60647E-02 ppm1 0.975 ppm2 0.769 CV 1
ASSI { 1309}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 96 and name HB# ))
2.500 0.800 0.800 peak 1309 weight 0.20000E+01 volume 0.37231E-02 ppm1 0.751 ppm2 1.817 CV 1
ASSI { 2101}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 107 and name HG ))
2.700 0.900 0.900 peak 2101 weight 0.20000E+01 volume 0.25771E-02 ppm1 1.612 ppm2 0.762 CV 1
ASSI { 1132}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 97 and name HB# ))
3.500 1.600 1.600 peak 1132 weight 0.20000E+01 volume 0.49609E-03 ppm1 0.876 ppm2 3.292 CV 1
ASSI { 2557}
(( segid " " and resid 97 and name HB# ))
(( segid " " and resid 107 and name HG ))
3.400 1.400 1.400 peak 2557 weight 0.20000E+01 volume 0.61261E-03 ppm1 3.298 ppm2 0.757 CV 1
ASSI { 1311}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 97 and name HB# ))
2.900 1.100 1.100 peak 1311 weight 0.20000E+01 volume 0.15366E-02 ppm1 0.756 ppm2 3.034 CV 1
ASSI { 1127}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 100 and name HA ))
3.400 1.400 1.400 peak 1127 weight 0.20000E+01 volume 0.51741E-02 ppm1 0.876 ppm2 4.768 CV 1
ASSI { 2962}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 107 and name HA ))
2.400 0.700 0.700 peak 2962 weight 0.20000E+01 volume 0.54970E-02 ppm1 4.261 ppm2 4.708 CV 1
ASSI { 1381}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 107 and name HA ))
3.000 1.100 1.100 peak 1381 weight 0.20000E+01 volume 0.13107E-02 ppm1 2.270 ppm2 4.698 CV 1
ASSI { 1382}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 107 and name HA ))
3.100 1.200 1.200 peak 1382 weight 0.20000E+01 volume 0.11291E-02 ppm1 2.072 ppm2 4.704 CV 1
ASSI { 2175}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 101 and name HB# ))
2.400 0.700 0.700 peak 2175 weight 0.20000E+01 volume 0.50977E-02 ppm1 1.359 ppm2 2.062 CV 1
ASSI { 3308}
(( segid " " and resid 101 and name HB# ))
( segid " " and resid 107 and name HD# )
3.500 1.500 1.500 peak 3308 weight 0.20000E+01 volume 0.54326E-03 ppm1 2.263 ppm2 0.889 CV 1
ASSI { 365}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 107 and name HB# ))
2.500 0.800 0.800 peak 365 weight 0.20000E+01 volume 0.38843E-02 ppm1 4.702 ppm2 1.375 CV 1
ASSI { 2178}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 107 and name HA ))
2.900 1.100 1.100 peak 2178 weight 0.20000E+01 volume 0.14877E-02 ppm1 2.061 ppm2 4.695 CV 1
ASSI { 1315}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 107 and name HA ))
3.000 1.100 1.100 peak 1315 weight 0.20000E+01 volume 0.13410E-02 ppm1 0.756 ppm2 4.706 CV 1
ASSI { 1310}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 107 and name HB# ))
2.400 0.700 0.700 peak 1310 weight 0.20000E+01 volume 0.44203E-02 ppm1 0.756 ppm2 2.054 CV 1
ASSI { 223}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 34 and name HB ))
2.600 0.800 0.800 peak 223 weight 0.20000E+01 volume 0.32425E-02 ppm1 4.672 ppm2 1.284 CV 1
ASSI { 228}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 228 weight 0.20000E+01 volume 0.17674E-02 ppm1 4.671 ppm2 8.787 CV 1
ASSI { 3282}
(( segid " " and resid 108 and name HB# ))
( segid " " and resid 34 and name HG# )
3.800 1.800 1.800 peak 3282 weight 0.20000E+01 volume 0.30862E-03 ppm1 2.218 ppm2 0.635 CV 1
ASSI { 570}
( segid " " and resid 34 and name HG# )
( segid " " and resid 108 and name HD% )
2.800 1.000 1.000 peak 570 weight 0.20000E+01 volume 0.19967E-02 ppm1 0.656 ppm2 6.341 CV 1
ASSI { 3232}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 108 and name HA ))
3.300 1.300 1.300 peak 3232 weight 0.20000E+01 volume 0.77028E-03 ppm1 5.735 ppm2 4.670 CV 1
ASSI { 3327}
(( segid " " and resid 102 and name HG# ))
( segid " " and resid 108 and name HD% )
3.700 1.700 1.700 peak 3327 weight 0.20000E+01 volume 0.36370E-03 ppm1 3.012 ppm2 6.310 CV 1
ASSI { 2627}
(( segid " " and resid 102 and name HG# ))
( segid " " and resid 108 and name HE% )
3.200 1.300 1.300 peak 2627 weight 0.20000E+01 volume 0.82397E-03 ppm1 2.434 ppm2 6.807 CV 1
ASSI { 557}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 109 and name HA ))
3.600 1.600 1.600 peak 557 weight 0.20000E+01 volume 0.44738E-03 ppm1 1.642 ppm2 4.837 CV 1
ASSI { 900}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 109 and name HB ))
5.400 3.700 0.600 peak 900 weight 0.20000E+01 volume 0.37548E-04 ppm1 0.583 ppm2 1.560 CV 1
ASSI { 866}
( segid " " and resid 33 and name HG# )
( segid " " and resid 109 and name HD# )
2.500 0.800 0.800 peak 866 weight 0.20000E+01 volume 0.40984E-02 ppm1 0.582 ppm2 0.302 CV 1
ASSI { 2077}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 35 and name HA ))
2.800 1.000 1.000 peak 2077 weight 0.20000E+01 volume 0.20907E-02 ppm1 1.546 ppm2 5.739 CV 1
ASSI { 941}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 109 and name HB ))
2.500 0.800 0.800 peak 941 weight 0.20000E+01 volume 0.35039E-02 ppm1 0.893 ppm2 1.556 CV 1
ASSI { 450}
( segid " " and resid 109 and name HD# )
( segid " " and resid 62 and name HE% )
2.400 0.700 0.700 peak 450 weight 0.20000E+01 volume 0.46458E-02 ppm1 0.295 ppm2 6.516 CV 1
ASSI { 452}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 80 and name HB# ))
3.800 1.800 1.800 peak 452 weight 0.20000E+01 volume 0.32304E-03 ppm1 0.300 ppm2 2.907 CV 1
ASSI { 540}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 80 and name HA ))
2.700 0.900 0.900 peak 540 weight 0.20000E+01 volume 0.27050E-02 ppm1 0.473 ppm2 6.008 CV 1
ASSI { 538}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 80 and name HB# ))
2.300 0.700 0.700 peak 538 weight 0.20000E+01 volume 0.59435E-02 ppm1 0.469 ppm2 2.935 CV 1
ASSI { 3298}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 81 and name HN ))
2.500 0.800 0.800 peak 3298 weight 0.20000E+01 volume 0.39914E-02 ppm1 0.477 ppm2 9.093 CV 1
ASSI { 173}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 82 and name HA ))
2.900 1.000 1.000 peak 173 weight 0.20000E+01 volume 0.17239E-02 ppm1 4.834 ppm2 4.546 CV 1
ASSI { 1930}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 109 and name HA ))
3.400 1.500 1.500 peak 1930 weight 0.20000E+01 volume 0.58261E-03 ppm1 1.724 ppm2 4.838 CV 1
ASSI { 778}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 109 and name HA ))
2.800 1.000 1.000 peak 778 weight 0.20000E+01 volume 0.19221E-02 ppm1 0.639 ppm2 4.821 CV 1
ASSI { 765}
( segid " " and resid 82 and name HG# )
( segid " " and resid 109 and name HD# )
2.900 1.100 1.100 peak 765 weight 0.20000E+01 volume 0.15295E-02 ppm1 0.644 ppm2 0.286 CV 1
ASSI { 797}
( segid " " and resid 82 and name HG# )
( segid " " and resid 109 and name HD# )
2.500 0.800 0.800 peak 797 weight 0.20000E+01 volume 0.43998E-02 ppm1 0.824 ppm2 0.292 CV 1
ASSI { 800}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 109 and name HG1#))
2.700 0.900 0.900 peak 800 weight 0.20000E+01 volume 0.23371E-02 ppm1 0.829 ppm2 1.323 CV 1
ASSI { 159}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 109 and name HG# )
4.200 2.200 1.800 peak 159 weight 0.20000E+01 volume 0.17333E-03 ppm1 4.541 ppm2 0.486 CV 1
ASSI { 533}
( segid " " and resid 109 and name HG# )
( segid " " and resid 82 and name HG# )
2.000 0.500 0.500 peak 533 weight 0.20000E+01 volume 0.15705E-01 ppm1 0.469 ppm2 0.840 CV 1
ASSI { 536}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 87 and name HG# ))
3.400 1.500 1.500 peak 536 weight 0.20000E+01 volume 0.57028E-03 ppm1 0.465 ppm2 1.723 CV 1
ASSI { 997}
( segid " " and resid 96 and name HD# )
( segid " " and resid 109 and name HD# )
2.600 0.800 0.800 peak 997 weight 0.20000E+01 volume 0.31198E-02 ppm1 0.902 ppm2 0.294 CV 1
ASSI { 2075}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 108 and name HA ))
3.100 1.200 1.200 peak 2075 weight 0.20000E+01 volume 0.16895E-02 ppm1 1.541 ppm2 4.682 CV 1
ASSI { 229}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 109 and name HN ))
2.000 0.500 0.500 peak 229 weight 0.20000E+01 volume 0.13787E-01 ppm1 4.665 ppm2 9.370 CV 1
ASSI { 2076}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 109 and name HA ))
2.700 0.900 0.900 peak 2076 weight 0.20000E+01 volume 0.24230E-02 ppm1 1.549 ppm2 4.833 CV 1
ASSI { 448}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 109 and name HA ))
2.700 0.900 0.900 peak 448 weight 0.20000E+01 volume 0.25264E-02 ppm1 0.291 ppm2 4.827 CV 1
ASSI { 445}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 109 and name HB ))
2.300 0.700 0.700 peak 445 weight 0.20000E+01 volume 0.64025E-02 ppm1 0.295 ppm2 1.554 CV 1
ASSI { 171}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 109 and name HG1#))
3.100 1.200 1.200 peak 171 weight 0.20000E+01 volume 0.10439E-02 ppm1 4.844 ppm2 1.336 CV 1
ASSI { 2073}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 109 and name HG1#))
2.600 0.800 0.800 peak 2073 weight 0.20000E+01 volume 0.31860E-02 ppm1 1.543 ppm2 1.320 CV 1
ASSI { 444}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 109 and name HG1#))
2.100 0.500 0.500 peak 444 weight 0.20000E+01 volume 0.11604E-01 ppm1 0.291 ppm2 1.323 CV 1
ASSI { 169}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 109 and name HG1#))
2.400 0.700 0.700 peak 169 weight 0.20000E+01 volume 0.47399E-02 ppm1 4.847 ppm2 0.822 CV 1
ASSI { 539}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 109 and name HA ))
2.300 0.600 0.600 peak 539 weight 0.20000E+01 volume 0.69720E-02 ppm1 0.469 ppm2 4.834 CV 1
ASSI { 535}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 109 and name HB ))
2.100 0.500 0.500 peak 535 weight 0.20000E+01 volume 0.12417E-01 ppm1 0.473 ppm2 1.533 CV 1
ASSI { 544}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 109 and name HN ))
2.900 1.000 1.000 peak 544 weight 0.20000E+01 volume 0.17061E-02 ppm1 0.478 ppm2 9.383 CV 1
ASSI { 561}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 110 and name HN ))
2.900 1.000 1.000 peak 561 weight 0.20000E+01 volume 0.16106E-02 ppm1 1.642 ppm2 9.020 CV 1
ASSI { 972}
( segid " " and resid 110 and name HB% )
( segid " " and resid 5 and name HE% )
2.700 0.900 0.900 peak 972 weight 0.20000E+01 volume 0.24248E-02 ppm1 1.565 ppm2 7.419 CV 1
ASSI { 3025}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 110 and name HA ))
3.100 1.200 1.200 peak 3025 weight 0.20000E+01 volume 0.10141E-02 ppm1 3.053 ppm2 6.525 CV 1
ASSI { 965}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 37 and name HA ))
3.700 1.700 1.700 peak 965 weight 0.20000E+01 volume 0.38441E-03 ppm1 1.569 ppm2 3.051 CV 1
ASSI { 966}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 966 weight 0.20000E+01 volume 0.17980E-02 ppm1 1.569 ppm2 4.411 CV 1
ASSI { 961}
( segid " " and resid 110 and name HB% )
( segid " " and resid 38 and name HB% )
2.300 0.600 0.600 peak 961 weight 0.20000E+01 volume 0.71788E-02 ppm1 1.565 ppm2 1.195 CV 1
ASSI { 964}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 81 and name HB# ))
2.300 0.700 0.700 peak 964 weight 0.20000E+01 volume 0.59353E-02 ppm1 1.569 ppm2 2.771 CV 1
ASSI { 3174}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 109 and name HG# )
3.300 1.400 1.400 peak 3174 weight 0.20000E+01 volume 0.72386E-03 ppm1 6.531 ppm2 0.465 CV 1
ASSI { 967}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 109 and name HA ))
3.000 1.100 1.100 peak 967 weight 0.20000E+01 volume 0.14004E-02 ppm1 1.569 ppm2 4.840 CV 1
ASSI { 959}
( segid " " and resid 110 and name HB% )
( segid " " and resid 109 and name HG# )
2.800 1.000 1.000 peak 959 weight 0.20000E+01 volume 0.19266E-02 ppm1 1.567 ppm2 0.470 CV 1
ASSI { 944}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 111 and name HB# ))
3.100 1.200 1.200 peak 944 weight 0.20000E+01 volume 0.10102E-02 ppm1 0.902 ppm2 3.260 CV 1
ASSI { 3027}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 111 and name HD% )
2.900 1.000 1.000 peak 3027 weight 0.20000E+01 volume 0.17729E-02 ppm1 3.071 ppm2 6.833 CV 1
ASSI { 3026}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 111 and name HE% )
2.600 0.900 0.900 peak 3026 weight 0.20000E+01 volume 0.29623E-02 ppm1 3.064 ppm2 6.647 CV 1
ASSI { 2062}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 111 and name HE% )
2.900 1.000 1.000 peak 2062 weight 0.20000E+01 volume 0.16683E-02 ppm1 2.069 ppm2 6.651 CV 1
ASSI { 693}
( segid " " and resid 66 and name HG# )
(( segid " " and resid 111 and name HB# ))
3.200 1.200 1.200 peak 693 weight 0.20000E+01 volume 0.96114E-03 ppm1 0.368 ppm2 3.277 CV 1
ASSI { 995}
( segid " " and resid 72 and name HD# )
( segid " " and resid 111 and name HE% )
3.000 1.200 1.200 peak 995 weight 0.20000E+01 volume 0.12101E-02 ppm1 0.893 ppm2 6.647 CV 1
ASSI { 3187}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 80 and name HA ))
2.500 0.800 0.800 peak 3187 weight 0.20000E+01 volume 0.43336E-02 ppm1 6.723 ppm2 6.013 CV 1
ASSI { 3183}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 111 and name HB# ))
3.200 1.300 1.300 peak 3183 weight 0.20000E+01 volume 0.85071E-03 ppm1 6.018 ppm2 3.274 CV 1
ASSI { 3194}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 81 and name HN ))
3.000 1.100 1.100 peak 3194 weight 0.20000E+01 volume 0.13238E-02 ppm1 6.728 ppm2 9.106 CV 1
ASSI { 3385}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 111 and name HA ))
3.400 1.400 1.400 peak 3385 weight 0.20000E+01 volume 0.61496E-03 ppm1 1.568 ppm2 6.711 CV 1
ASSI { 282}
(( segid " " and resid 112 and name HA ))
( segid " " and resid 38 and name HB% )
2.600 0.900 0.900 peak 282 weight 0.20000E+01 volume 0.27656E-02 ppm1 4.672 ppm2 1.199 CV 1
ASSI { 593}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 112 and name HB# ))
2.400 0.700 0.700 peak 593 weight 0.20000E+01 volume 0.56397E-02 ppm1 1.199 ppm2 4.266 CV 1
ASSI { 592}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 112 and name HB# ))
1.900 0.500 0.500 peak 592 weight 0.20000E+01 volume 0.19128E-01 ppm1 1.197 ppm2 3.894 CV 1
ASSI { 382}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 112 and name HA ))
2.800 1.000 1.000 peak 382 weight 0.20000E+01 volume 0.18616E-02 ppm1 4.491 ppm2 4.666 CV 1
ASSI { 753}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 112 and name HA ))
2.100 0.500 0.500 peak 753 weight 0.20000E+01 volume 0.12805E-01 ppm1 1.601 ppm2 4.663 CV 1
ASSI { 755}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 112 and name HB# ))
3.000 1.100 1.100 peak 755 weight 0.20000E+01 volume 0.14123E-02 ppm1 1.610 ppm2 4.272 CV 1
ASSI { 757}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 112 and name HB# ))
2.800 1.000 1.000 peak 757 weight 0.20000E+01 volume 0.20911E-02 ppm1 1.605 ppm2 3.907 CV 1
ASSI { 638}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 112 and name HA ))
2.600 0.900 0.900 peak 638 weight 0.20000E+01 volume 0.27647E-02 ppm1 1.105 ppm2 4.659 CV 1
ASSI { 285}
(( segid " " and resid 112 and name HA ))
(( segid " " and resid 111 and name HA ))
3.500 1.500 1.500 peak 285 weight 0.20000E+01 volume 0.53121E-03 ppm1 4.673 ppm2 6.713 CV 1
ASSI { 16}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 112 and name HA ))
2.300 0.700 0.700 peak 16 weight 0.20000E+01 volume 0.57364E-02 ppm1 3.917 ppm2 4.663 CV 1
ASSI { 3366}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 43 and name HB ))
4.200 2.200 1.800 peak 3366 weight 0.20000E+01 volume 0.17797E-03 ppm1 4.823 ppm2 2.069 CV 1
ASSI { 512}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 113 and name HA ))
2.500 0.800 0.800 peak 512 weight 0.20000E+01 volume 0.39189E-02 ppm1 1.141 ppm2 4.820 CV 1
ASSI { 639}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 113 and name HA ))
3.100 1.200 1.200 peak 639 weight 0.20000E+01 volume 0.11798E-02 ppm1 1.105 ppm2 4.827 CV 1
ASSI { 2059}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 113 and name HB# ))
3.100 1.200 1.200 peak 2059 weight 0.20000E+01 volume 0.10906E-02 ppm1 2.077 ppm2 3.061 CV 1
ASSI { 636}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 113 and name HB# ))
2.500 0.800 0.800 peak 636 weight 0.20000E+01 volume 0.42338E-02 ppm1 1.107 ppm2 3.063 CV 1
ASSI { 3542}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 113 and name HB# ))
4.100 2.100 1.900 peak 3542 weight 0.20000E+01 volume 0.19072E-03 ppm1 4.441 ppm2 2.699 CV 1
ASSI { 510}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 113 and name HB# ))
2.400 0.700 0.700 peak 510 weight 0.20000E+01 volume 0.49232E-02 ppm1 1.137 ppm2 2.717 CV 1
ASSI { 747}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 113 and name HA ))
2.500 0.800 0.800 peak 747 weight 0.20000E+01 volume 0.35235E-02 ppm1 1.431 ppm2 4.824 CV 1
ASSI { 743}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 113 and name HB# ))
2.700 0.900 0.900 peak 743 weight 0.20000E+01 volume 0.22952E-02 ppm1 1.431 ppm2 3.080 CV 1
ASSI { 742}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 113 and name HB# ))
2.800 1.000 1.000 peak 742 weight 0.20000E+01 volume 0.18091E-02 ppm1 1.423 ppm2 2.715 CV 1
ASSI { 339}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 78 and name HA ))
2.500 0.800 0.800 peak 339 weight 0.20000E+01 volume 0.40268E-02 ppm1 4.822 ppm2 4.546 CV 1
ASSI { 1106}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 113 and name HA ))
3.300 1.400 1.400 peak 1106 weight 0.20000E+01 volume 0.71042E-03 ppm1 0.820 ppm2 4.817 CV 1
ASSI { 338}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 113 and name HB# ))
2.200 0.600 0.600 peak 338 weight 0.20000E+01 volume 0.87633E-02 ppm1 4.819 ppm2 3.078 CV 1
ASSI { 337}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 113 and name HB# ))
2.200 0.600 0.600 peak 337 weight 0.20000E+01 volume 0.82753E-02 ppm1 4.823 ppm2 2.714 CV 1
ASSI { 300}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 114 and name HB# ))
2.200 0.600 0.600 peak 300 weight 0.20000E+01 volume 0.78489E-02 ppm1 4.638 ppm2 2.076 CV 1
ASSI { 299}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 114 and name HB# ))
2.400 0.700 0.700 peak 299 weight 0.20000E+01 volume 0.51900E-02 ppm1 4.643 ppm2 1.866 CV 1
ASSI { 3429}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 114 and name HG# ))
2.200 0.600 0.600 peak 3429 weight 0.20000E+01 volume 0.76960E-02 ppm1 2.078 ppm2 2.196 CV 1
ASSI { 1837}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 114 and name HG# ))
2.100 0.500 0.500 peak 1837 weight 0.20000E+01 volume 0.11897E-01 ppm1 1.868 ppm2 2.186 CV 1
ASSI { 2654}
(( segid " " and resid 114 and name HG# ))
(( segid " " and resid 114 and name HA ))
2.400 0.700 0.700 peak 2654 weight 0.20000E+01 volume 0.55494E-02 ppm1 2.305 ppm2 4.642 CV 1
ASSI { 3428}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 114 and name HG# ))
2.600 0.800 0.800 peak 3428 weight 0.20000E+01 volume 0.31595E-02 ppm1 2.076 ppm2 2.305 CV 1
ASSI { 1836}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 114 and name HG# ))
2.200 0.600 0.600 peak 1836 weight 0.20000E+01 volume 0.89112E-02 ppm1 1.868 ppm2 2.305 CV 1
ASSI { 3293}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 79 and name HB# ))
2.600 0.800 0.800 peak 3293 weight 0.20000E+01 volume 0.31164E-02 ppm1 3.368 ppm2 2.587 CV 1
ASSI { 2956}
(( segid " " and resid 115 and name HA ))
( segid " " and resid 79 and name HD% )
2.900 1.000 1.000 peak 2956 weight 0.20000E+01 volume 0.16762E-02 ppm1 3.365 ppm2 6.910 CV 1
ASSI { 2822}
(( segid " " and resid 115 and name HB# ))
(( segid " " and resid 115 and name HA ))
2.100 0.500 0.500 peak 2822 weight 0.20000E+01 volume 0.11724E-01 ppm1 3.489 ppm2 3.369 CV 1
ASSI { 683}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 116 and name HA ))
3.300 1.400 1.400 peak 683 weight 0.20000E+01 volume 0.71909E-03 ppm1 0.824 ppm2 4.112 CV 1
ASSI { 712}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 114 and name HB# ))
3.500 1.500 1.500 peak 712 weight 0.20000E+01 volume 0.50842E-03 ppm1 0.755 ppm2 2.070 CV 1
ASSI { 115}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HB ))
2.500 0.800 0.800 peak 115 weight 0.20000E+01 volume 0.75495E-02 ppm1 4.133 ppm2 1.796 CV 1
ASSI { 714}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 116 and name HA ))
2.000 0.500 0.500 peak 714 weight 0.20000E+01 volume 0.14176E-01 ppm1 0.760 ppm2 4.136 CV 1
ASSI { 711}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 116 and name HB ))
1.900 0.400 0.400 peak 711 weight 0.20000E+01 volume 0.22396E-01 ppm1 0.756 ppm2 1.810 CV 1
ASSI { 2901}
(( segid " " and resid 117 and name HA ))
( segid " " and resid 38 and name HB% )
3.600 1.600 1.600 peak 2901 weight 0.20000E+01 volume 0.47107E-03 ppm1 3.670 ppm2 1.196 CV 1
ASSI { 3303}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 38 and name HB% )
3.400 1.500 1.500 peak 3303 weight 0.20000E+01 volume 0.59439E-03 ppm1 1.863 ppm2 1.208 CV 1
ASSI { 3296}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 81 and name HD% )
3.400 1.400 1.400 peak 3296 weight 0.20000E+01 volume 0.64649E-03 ppm1 2.528 ppm2 6.906 CV 1
ASSI { 2260}
(( segid " " and resid 81 and name HB# ))
( segid " " and resid 117 and name HD% )
3.200 1.300 1.300 peak 2260 weight 0.20000E+01 volume 0.81905E-03 ppm1 2.781 ppm2 6.591 CV 1
ASSI { 2022}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 84 and name HA ))
4.000 2.000 2.000 peak 2022 weight 0.20000E+01 volume 0.22356E-03 ppm1 1.863 ppm2 4.036 CV 1
ASSI { 969}
( segid " " and resid 110 and name HB% )
( segid " " and resid 117 and name HE% )
1.900 0.400 0.400 peak 969 weight 0.20000E+01 volume 0.22786E-01 ppm1 1.568 ppm2 6.575 CV 1
ASSI { 2023}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 117 and name HA ))
2.400 0.700 0.700 peak 2023 weight 0.20000E+01 volume 0.48495E-02 ppm1 1.865 ppm2 3.650 CV 1
ASSI { 2241}
(( segid " " and resid 118 and name HA# ))
(( segid " " and resid 114 and name HB# ))
3.400 1.400 1.400 peak 2241 weight 0.20000E+01 volume 0.66519E-03 ppm1 3.680 ppm2 2.053 CV 1
ASSI { 3581}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 118 and name HA# ))
3.900 1.900 1.900 peak 3581 weight 0.20000E+01 volume 0.26740E-03 ppm1 0.747 ppm2 3.535 CV 1
ASSI { 1034}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 3 and name HA ))
3.000 1.100 1.100 peak 1034 weight 0.20000E+01 volume 0.13954E-02 ppm1 0.781 ppm2 4.187 CV 1
ASSI { 2994}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 39 and name HG# ))
2.900 1.000 1.000 peak 2994 weight 0.20000E+01 volume 0.16220E-02 ppm1 4.075 ppm2 2.005 CV 1
ASSI { 1031}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 39 and name HG# ))
3.300 1.400 1.400 peak 1031 weight 0.20000E+01 volume 0.68659E-03 ppm1 0.781 ppm2 1.983 CV 1
ASSI { 3584}
(( segid " " and resid 119 and name HB# ))
(( segid " " and resid 40 and name HB# ))
3.400 1.400 1.400 peak 3584 weight 0.20000E+01 volume 0.63651E-03 ppm1 1.432 ppm2 1.809 CV 1
ASSI { 3288}
(( segid " " and resid 40 and name HD# ))
(( segid " " and resid 119 and name HG ))
2.100 0.500 0.500 peak 3288 weight 0.20000E+01 volume 0.11677E-01 ppm1 1.575 ppm2 1.440 CV 1
ASSI { 1890}
(( segid " " and resid 116 and name HB ))
(( segid " " and resid 119 and name HB# ))
2.500 0.800 0.800 peak 1890 weight 0.20000E+01 volume 0.37118E-02 ppm1 1.806 ppm2 1.447 CV 1
ASSI { 2237}
(( segid " " and resid 118 and name HA# ))
(( segid " " and resid 119 and name HB# ))
3.300 1.400 1.400 peak 2237 weight 0.20000E+01 volume 0.73343E-03 ppm1 3.686 ppm2 1.508 CV 1
ASSI { 2154}
(( segid " " and resid 119 and name HB# ))
(( segid " " and resid 119 and name HA ))
2.300 0.700 0.700 peak 2154 weight 0.20000E+01 volume 0.60454E-02 ppm1 1.434 ppm2 4.071 CV 1
ASSI { 2147}
(( segid " " and resid 119 and name HB# ))
(( segid " " and resid 119 and name HA ))
2.500 0.800 0.800 peak 2147 weight 0.20000E+01 volume 0.40290E-02 ppm1 1.488 ppm2 4.066 CV 1
ASSI { 1032}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 119 and name HA ))
2.200 0.600 0.600 peak 1032 weight 0.20000E+01 volume 0.96057E-02 ppm1 0.786 ppm2 4.065 CV 1
ASSI { 2152}
(( segid " " and resid 119 and name HB# ))
( segid " " and resid 119 and name HD# )
2.100 0.600 0.600 peak 2152 weight 0.20000E+01 volume 0.10526E-01 ppm1 1.436 ppm2 0.795 CV 1
ASSI { 1456}
(( segid " " and resid 119 and name HG ))
(( segid " " and resid 119 and name HA ))
2.700 0.900 0.900 peak 1456 weight 0.20000E+01 volume 0.24926E-02 ppm1 1.457 ppm2 4.057 CV 1
ASSI { 1454}
(( segid " " and resid 119 and name HG ))
( segid " " and resid 119 and name HD# )
2.100 0.600 0.600 peak 1454 weight 0.20000E+01 volume 0.10878E-01 ppm1 1.461 ppm2 0.780 CV 1
ASSI { 10}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 93 and name HA ))
2.400 0.700 0.700 peak 10 weight 0.10000E+01 volume 0.52432E-02 ppm1 1.623 ppm2 4.357 CV 1
ASSI { 11}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 65 and name HA ))
2.000 0.500 0.500 peak 11 weight 0.10000E+01 volume 0.13041E-01 ppm1 1.818 ppm2 3.935 CV 1
ASSI { 13}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 24 and name HA ))
2.200 0.600 0.600 peak 13 weight 0.10000E+01 volume 0.93790E-02 ppm1 3.246 ppm2 4.025 CV 1
ASSI { 18}
(( segid " " and resid 47 and name HB# ))
(( segid " " and resid 47 and name HA ))
1.800 0.400 0.400 peak 18 weight 0.10000E+01 volume 0.26411E-01 ppm1 2.807 ppm2 4.400 CV 1
ASSI { 21}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 64 and name HA ))
2.000 0.500 0.500 peak 21 weight 0.10000E+01 volume 0.13418E-01 ppm1 3.292 ppm2 4.030 CV 1
ASSI { 26}
(( segid " " and resid 84 and name HB# ))
(( segid " " and resid 84 and name HA ))
2.100 0.600 0.600 peak 26 weight 0.10000E+01 volume 0.26515E-01 ppm1 3.048 ppm2 4.051 CV 1
ASSI { 29}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 83 and name HA ))
1.900 0.500 0.500 peak 29 weight 0.10000E+01 volume 0.17588E-01 ppm1 3.019 ppm2 4.327 CV 1
ASSI { 39}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 61 and name HA ))
1.900 0.400 0.400 peak 39 weight 0.10000E+01 volume 0.22762E-01 ppm1 2.497 ppm2 4.276 CV 1
ASSI { 42}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 26 and name HA ))
1.900 0.400 0.400 peak 42 weight 0.10000E+01 volume 0.23497E-01 ppm1 1.478 ppm2 3.804 CV 1
OR { 42}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 23 and name HA ))
ASSI { 43}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 98 and name HA ))
2.100 0.500 0.500 peak 43 weight 0.10000E+01 volume 0.11270E-01 ppm1 2.594 ppm2 4.059 CV 1
ASSI { 47}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HA ))
2.100 0.500 0.500 peak 47 weight 0.10000E+01 volume 0.11352E-01 ppm1 1.985 ppm2 3.882 CV 1
ASSI { 51}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 68 and name HA ))
1.900 0.400 0.400 peak 51 weight 0.10000E+01 volume 0.22165E-01 ppm1 1.762 ppm2 3.998 CV 1
ASSI { 54}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 89 and name HA ))
2.000 0.500 0.500 peak 54 weight 0.10000E+01 volume 0.15744E-01 ppm1 2.398 ppm2 3.879 CV 1
ASSI { 57}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 99 and name HA ))
1.900 0.500 0.500 peak 57 weight 0.10000E+01 volume 0.18427E-01 ppm1 1.496 ppm2 3.994 CV 1
ASSI { 61}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 9 and name HA ))
2.000 0.500 0.500 peak 61 weight 0.10000E+01 volume 0.32723E-01 ppm1 2.137 ppm2 4.151 CV 1
ASSI { 68}
(( segid " " and resid 75 and name HB# ))
(( segid " " and resid 75 and name HA ))
2.100 0.600 0.600 peak 68 weight 0.10000E+01 volume 0.10056E-01 ppm1 2.041 ppm2 4.099 CV 1
ASSI { 69}
(( segid " " and resid 75 and name HB# ))
(( segid " " and resid 75 and name HA ))
2.100 0.500 0.500 peak 69 weight 0.10000E+01 volume 0.11965E-01 ppm1 1.979 ppm2 4.102 CV 1
ASSI { 73}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 98 and name HA ))
2.000 0.500 0.500 peak 73 weight 0.10000E+01 volume 0.15698E-01 ppm1 2.333 ppm2 4.061 CV 1
ASSI { 75}
(( segid " " and resid 54 and name HG# ))
(( segid " " and resid 54 and name HD# ))
2.300 0.700 0.700 peak 75 weight 0.10000E+01 volume 0.59425E-02 ppm1 2.245 ppm2 3.995 CV 1
ASSI { 78}
(( segid " " and resid 69 and name HG# ))
(( segid " " and resid 69 and name HA ))
2.100 0.500 0.500 peak 78 weight 0.10000E+01 volume 0.12757E-01 ppm1 1.702 ppm2 4.016 CV 1
ASSI { 80}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 39 and name HA ))
2.700 0.900 0.900 peak 80 weight 0.10000E+01 volume 0.23975E-02 ppm1 2.030 ppm2 4.222 CV 1
ASSI { 84}
(( segid " " and resid 88 and name HG# ))
(( segid " " and resid 88 and name HD# ))
1.800 0.400 0.400 peak 84 weight 0.10000E+01 volume 0.32145E-01 ppm1 2.190 ppm2 3.970 CV 1
ASSI { 89}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 97 and name HA ))
2.400 0.700 0.700 peak 89 weight 0.10000E+01 volume 0.44842E-02 ppm1 0.757 ppm2 3.856 CV 1
ASSI { 94}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 87 and name HD# ))
2.000 0.500 0.500 peak 94 weight 0.10000E+01 volume 0.12852E-01 ppm1 1.755 ppm2 4.094 CV 1
ASSI { 97}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 87 and name HD# ))
2.100 0.500 0.500 peak 97 weight 0.10000E+01 volume 0.11832E-01 ppm1 1.755 ppm2 3.943 CV 1
ASSI { 98}
(( segid " " and resid 71 and name HB# ))
(( segid " " and resid 71 and name HA ))
1.900 0.400 0.400 peak 98 weight 0.10000E+01 volume 0.20549E-01 ppm1 3.287 ppm2 4.217 CV 1
ASSI { 102}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HA ))
2.600 0.800 0.800 peak 102 weight 0.10000E+01 volume 0.31572E-02 ppm1 1.015 ppm2 3.940 CV 1
ASSI { 106}
(( segid " " and resid 25 and name HG# ))
(( segid " " and resid 25 and name HA ))
2.900 1.100 1.100 peak 106 weight 0.10000E+01 volume 0.15908E-02 ppm1 1.447 ppm2 3.960 CV 1
ASSI { 107}
(( segid " " and resid 40 and name HG# ))
(( segid " " and resid 40 and name HA ))
2.500 0.800 0.800 peak 107 weight 0.10000E+01 volume 0.35354E-02 ppm1 1.321 ppm2 4.016 CV 1
ASSI { 111}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 89 and name HA ))
2.300 0.700 0.700 peak 111 weight 0.10000E+01 volume 0.58369E-02 ppm1 0.959 ppm2 3.876 CV 1
ASSI { 115}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 101 and name HA ))
2.400 0.700 0.700 peak 115 weight 0.10000E+01 volume 0.52270E-02 ppm1 0.881 ppm2 4.261 CV 1
ASSI { 116}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 97 and name HA ))
2.100 0.500 0.500 peak 116 weight 0.10000E+01 volume 0.11368E-01 ppm1 0.880 ppm2 3.855 CV 1
ASSI { 120}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 119 and name HA ))
2.400 0.700 0.700 peak 120 weight 0.10000E+01 volume 0.54388E-02 ppm1 0.790 ppm2 4.073 CV 1
ASSI { 123}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 60 and name HA# ))
2.300 0.600 0.600 peak 123 weight 0.10000E+01 volume 0.72055E-02 ppm1 1.376 ppm2 4.100 CV 1
ASSI { 125}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 89 and name HA ))
2.000 0.500 0.500 peak 125 weight 0.10000E+01 volume 0.14619E-01 ppm1 0.867 ppm2 3.877 CV 1
ASSI { 129}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 31 and name HA ))
2.100 0.500 0.500 peak 129 weight 0.10000E+01 volume 0.12056E-01 ppm1 0.376 ppm2 4.156 CV 1
ASSI { 135}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 116 and name HA ))
2.100 0.500 0.500 peak 135 weight 0.10000E+01 volume 0.12557E-01 ppm1 0.754 ppm2 4.130 CV 1
ASSI { 148}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 87 and name HD# ))
2.200 0.600 0.600 peak 148 weight 0.10000E+01 volume 0.81521E-02 ppm1 1.161 ppm2 4.089 CV 1
ASSI { 151}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 60 and name HN ))
1.900 0.500 0.500 peak 151 weight 0.10000E+01 volume 0.17896E-01 ppm1 4.093 ppm2 8.925 CV 1
ASSI { 152}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 60 and name HN ))
2.000 0.500 0.500 peak 152 weight 0.10000E+01 volume 0.13315E-01 ppm1 3.944 ppm2 8.924 CV 1
ASSI { 156}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 94 and name HN ))
1.900 0.400 0.400 peak 156 weight 0.10000E+01 volume 0.21010E-01 ppm1 4.024 ppm2 9.461 CV 1
ASSI { 157}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 94 and name HN ))
2.000 0.500 0.500 peak 157 weight 0.10000E+01 volume 0.14418E-01 ppm1 3.714 ppm2 9.461 CV 1
ASSI { 159}
(( segid " " and resid 44 and name HA# ))
(( segid " " and resid 44 and name HN ))
1.800 0.400 0.400 peak 159 weight 0.10000E+01 volume 0.31247E-01 ppm1 3.872 ppm2 8.301 CV 1
ASSI { 163}
(( segid " " and resid 118 and name HA# ))
(( segid " " and resid 119 and name HN ))
2.300 0.600 0.600 peak 163 weight 0.10000E+01 volume 0.70719E-02 ppm1 3.578 ppm2 7.397 CV 1
ASSI { 174}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 72 and name HN ))
2.900 1.000 1.000 peak 174 weight 0.10000E+01 volume 0.16710E-02 ppm1 1.692 ppm2 7.803 CV 1
ASSI { 175}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 72 and name HN ))
2.100 0.500 0.500 peak 175 weight 0.10000E+01 volume 0.11447E-01 ppm1 1.376 ppm2 7.807 CV 1
ASSI { 176}
(( segid " " and resid 69 and name HD# ))
( segid " " and resid 51 and name HE% )
2.100 0.600 0.600 peak 176 weight 0.10000E+01 volume 0.10015E-01 ppm1 3.286 ppm2 6.619 CV 1
ASSI { 180}
(( segid " " and resid 111 and name HB# ))
(( segid " " and resid 111 and name HA ))
2.000 0.500 0.500 peak 180 weight 0.10000E+01 volume 0.14924E-01 ppm1 3.273 ppm2 6.705 CV 1
ASSI { 182}
(( segid " " and resid 111 and name HB# ))
(( segid " " and resid 111 and name HA ))
1.800 0.400 0.400 peak 182 weight 0.10000E+01 volume 0.25588E-01 ppm1 2.850 ppm2 6.712 CV 1
ASSI { 183}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 46 and name HN ))
2.400 0.700 0.700 peak 183 weight 0.10000E+01 volume 0.47816E-02 ppm1 2.749 ppm2 8.119 CV 1
ASSI { 184}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 45 and name HN ))
2.200 0.600 0.600 peak 184 weight 0.10000E+01 volume 0.74534E-02 ppm1 2.745 ppm2 8.304 CV 1
ASSI { 186}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 96 and name HN ))
2.200 0.600 0.600 peak 186 weight 0.10000E+01 volume 0.94102E-02 ppm1 1.824 ppm2 8.403 CV 1
ASSI { 188}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 96 and name HN ))
2.200 0.600 0.600 peak 188 weight 0.10000E+01 volume 0.75395E-02 ppm1 1.620 ppm2 8.403 CV 1
ASSI { 196}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 65 and name HN ))
2.000 0.500 0.500 peak 196 weight 0.10000E+01 volume 0.13259E-01 ppm1 1.637 ppm2 7.574 CV 1
ASSI { 197}
(( segid " " and resid 80 and name HB# ))
( segid " " and resid 80 and name HD% )
2.800 1.000 1.000 peak 197 weight 0.10000E+01 volume 0.21579E-02 ppm1 2.924 ppm2 6.807 CV 1
ASSI { 199}
(( segid " " and resid 106 and name HB# ))
( segid " " and resid 106 and name HD% )
2.100 0.600 0.600 peak 199 weight 0.10000E+01 volume 0.98353E-02 ppm1 2.019 ppm2 6.867 CV 1
ASSI { 201}
(( segid " " and resid 5 and name HB# ))
( segid " " and resid 5 and name HD% )
2.000 0.500 0.500 peak 201 weight 0.10000E+01 volume 0.15873E-01 ppm1 3.057 ppm2 7.218 CV 1
ASSI { 206}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 14 and name HN ))
2.600 0.900 0.900 peak 206 weight 0.10000E+01 volume 0.29975E-02 ppm1 2.996 ppm2 9.567 CV 1
ASSI { 207}
(( segid " " and resid 13 and name HB# ))
( segid " " and resid 13 and name HD% )
2.200 0.600 0.600 peak 207 weight 0.10000E+01 volume 0.91371E-02 ppm1 2.984 ppm2 7.306 CV 1
ASSI { 208}
(( segid " " and resid 97 and name HB# ))
(( segid " " and resid 98 and name HN ))
2.600 0.900 0.900 peak 208 weight 0.10000E+01 volume 0.30235E-02 ppm1 3.307 ppm2 8.407 CV 1
ASSI { 209}
(( segid " " and resid 97 and name HB# ))
(( segid " " and resid 97 and name HN ))
2.000 0.500 0.500 peak 209 weight 0.10000E+01 volume 0.16149E-01 ppm1 3.306 ppm2 9.018 CV 1
ASSI { 211}
(( segid " " and resid 97 and name HB# ))
(( segid " " and resid 97 and name HN ))
2.100 0.500 0.500 peak 211 weight 0.10000E+01 volume 0.12599E-01 ppm1 3.052 ppm2 9.020 CV 1
ASSI { 216}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HN ))
2.200 0.600 0.600 peak 216 weight 0.10000E+01 volume 0.80841E-02 ppm1 3.290 ppm2 7.577 CV 1
ASSI { 217}
(( segid " " and resid 64 and name HB# ))
( segid " " and resid 64 and name HD% )
1.800 0.400 0.400 peak 217 weight 0.10000E+01 volume 0.23813E-01 ppm1 3.291 ppm2 7.363 CV 1
OR { 217}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 64 and name HN ))
ASSI { 218}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HN ))
2.500 0.800 0.800 peak 218 weight 0.10000E+01 volume 0.39955E-02 ppm1 3.187 ppm2 7.576 CV 1
ASSI { 219}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 64 and name HN ))
1.800 0.400 0.400 peak 219 weight 0.10000E+01 volume 0.30482E-01 ppm1 3.187 ppm2 7.365 CV 1
OR { 219}
(( segid " " and resid 64 and name HB# ))
( segid " " and resid 64 and name HD% )
ASSI { 226}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 23 and name HN ))
1.900 0.400 0.400 peak 226 weight 0.10000E+01 volume 0.23195E-01 ppm1 1.817 ppm2 8.300 CV 1
ASSI { 227}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 24 and name HN ))
2.300 0.700 0.700 peak 227 weight 0.10000E+01 volume 0.58905E-02 ppm1 1.815 ppm2 7.763 CV 1
ASSI { 230}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 63 and name HN ))
2.000 0.500 0.500 peak 230 weight 0.10000E+01 volume 0.14844E-01 ppm1 3.101 ppm2 9.116 CV 1
ASSI { 232}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 64 and name HN ))
2.700 0.900 0.900 peak 232 weight 0.10000E+01 volume 0.24128E-02 ppm1 3.093 ppm2 7.373 CV 1
ASSI { 233}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 63 and name HN ))
2.200 0.600 0.600 peak 233 weight 0.10000E+01 volume 0.85155E-02 ppm1 2.741 ppm2 9.119 CV 1
ASSI { 236}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 117 and name HN ))
2.100 0.500 0.500 peak 236 weight 0.10000E+01 volume 0.12444E-01 ppm1 2.547 ppm2 8.230 CV 1
ASSI { 237}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 117 and name HD% )
2.100 0.500 0.500 peak 237 weight 0.10000E+01 volume 0.11582E-01 ppm1 2.549 ppm2 6.609 CV 1
ASSI { 241}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 83 and name HD22))
2.600 0.900 0.900 peak 241 weight 0.10000E+01 volume 0.28456E-02 ppm1 2.702 ppm2 9.016 CV 1
ASSI { 242}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 34 and name HN ))
2.200 0.600 0.600 peak 242 weight 0.10000E+01 volume 0.75953E-02 ppm1 1.273 ppm2 8.778 CV 1
ASSI { 244}
(( segid " " and resid 9 and name HG# ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 244 weight 0.10000E+01 volume 0.18593E-02 ppm1 2.367 ppm2 7.618 CV 1
ASSI { 245}
(( segid " " and resid 9 and name HG# ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 245 weight 0.10000E+01 volume 0.19805E-02 ppm1 2.295 ppm2 7.613 CV 1
ASSI { 247}
(( segid " " and resid 75 and name HG# ))
(( segid " " and resid 75 and name HN ))
2.900 1.000 1.000 peak 247 weight 0.10000E+01 volume 0.17358E-02 ppm1 2.203 ppm2 8.802 CV 1
ASSI { 248}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 248 weight 0.10000E+01 volume 0.87416E-02 ppm1 1.749 ppm2 8.897 CV 1
ASSI { 249}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 99 and name HN ))
2.900 1.000 1.000 peak 249 weight 0.10000E+01 volume 0.16535E-02 ppm1 2.065 ppm2 7.396 CV 1
ASSI { 251}{calib n14}
(( segid " " and resid 85 and name HB ))
(( segid " " and resid 86 and name HN ))
2.700 0.900 0.900 peak 251 weight 0.10000E+01 volume 0.86149E-02 ppm1 2.207 ppm2 8.497 CV 1
ASSI { 252}{calib n235}
(( segid " " and resid 85 and name HB ))
(( segid " " and resid 85 and name HN ))
2.200 0.600 0.600 peak 252 weight 0.10000E+01 volume 0.12770E-01 ppm1 2.203 ppm2 8.180 CV 1
ASSI { 254}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 66 and name HN ))
1.900 0.500 0.500 peak 254 weight 0.10000E+01 volume 0.19399E-01 ppm1 1.785 ppm2 7.818 CV 1
ASSI { 256}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 50 and name HN ))
2.400 0.700 0.700 peak 256 weight 0.10000E+01 volume 0.97014E-02 ppm1 1.643 ppm2 6.989 CV 1
ASSI { 258}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HN ))
2.400 0.700 0.700 peak 258 weight 0.10000E+01 volume 0.44556E-02 ppm1 2.050 ppm2 9.117 CV 1
ASSI { 259}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 82 and name HN ))
2.500 0.800 0.800 peak 259 weight 0.10000E+01 volume 0.42072E-02 ppm1 1.722 ppm2 9.342 CV 1
ASSI { 260}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 95 and name HN ))
2.200 0.600 0.600 peak 260 weight 0.10000E+01 volume 0.80266E-02 ppm1 2.491 ppm2 7.991 CV 1
ASSI { 261}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 95 and name HE21))
2.800 1.000 1.000 peak 261 weight 0.10000E+01 volume 0.19793E-02 ppm1 2.493 ppm2 7.716 CV 1
ASSI { 262}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 51 and name HE% )
2.200 0.600 0.600 peak 262 weight 0.10000E+01 volume 0.73687E-02 ppm1 2.053 ppm2 6.613 CV 1
ASSI { 265}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 98 and name HN ))
2.300 0.700 0.700 peak 265 weight 0.10000E+01 volume 0.65785E-02 ppm1 2.595 ppm2 8.411 CV 1
ASSI { 268}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 26 and name HN ))
2.100 0.600 0.600 peak 268 weight 0.10000E+01 volume 0.99271E-02 ppm1 1.229 ppm2 7.727 CV 1
ASSI { 273}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 26 and name HN ))
2.000 0.500 0.500 peak 273 weight 0.10000E+01 volume 0.16856E-01 ppm1 1.757 ppm2 7.730 CV 1
ASSI { 274}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 25 and name HN ))
1.900 0.400 0.400 peak 274 weight 0.10000E+01 volume 0.22703E-01 ppm1 1.754 ppm2 7.381 CV 1
ASSI { 275}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 15 and name HN ))
2.100 0.600 0.600 peak 275 weight 0.10000E+01 volume 0.99147E-02 ppm1 2.017 ppm2 7.118 CV 1
ASSI { 277}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 23 and name HN ))
2.200 0.600 0.600 peak 277 weight 0.10000E+01 volume 0.73361E-02 ppm1 1.988 ppm2 8.298 CV 1
ASSI { 278}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 57 and name HN ))
1.900 0.400 0.400 peak 278 weight 0.10000E+01 volume 0.21095E-01 ppm1 1.986 ppm2 7.443 CV 1
ASSI { 279}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HN ))
2.100 0.500 0.500 peak 279 weight 0.10000E+01 volume 0.12567E-01 ppm1 1.921 ppm2 7.440 CV 1
ASSI { 280}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 280 weight 0.10000E+01 volume 0.21462E-02 ppm1 1.916 ppm2 8.303 CV 1
ASSI { 282}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 93 and name HN ))
2.200 0.600 0.600 peak 282 weight 0.10000E+01 volume 0.75240E-02 ppm1 2.380 ppm2 9.338 CV 1
ASSI { 283}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 69 and name HN ))
2.200 0.600 0.600 peak 283 weight 0.10000E+01 volume 0.86652E-02 ppm1 1.761 ppm2 7.523 CV 1
ASSI { 285}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 91 and name HN ))
2.900 1.000 1.000 peak 285 weight 0.10000E+01 volume 0.16655E-02 ppm1 2.051 ppm2 7.285 CV 1
ASSI { 286}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 59 and name HN ))
2.000 0.500 0.500 peak 286 weight 0.10000E+01 volume 0.16774E-01 ppm1 2.398 ppm2 9.104 CV 1
ASSI { 287}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 60 and name HN ))
2.500 0.800 0.800 peak 287 weight 0.10000E+01 volume 0.41838E-02 ppm1 2.401 ppm2 8.924 CV 1
ASSI { 289}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 99 and name HN ))
1.900 0.500 0.500 peak 289 weight 0.10000E+01 volume 0.17323E-01 ppm1 1.815 ppm2 7.395 CV 1
ASSI { 291}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 100 and name HN ))
2.800 1.000 1.000 peak 291 weight 0.10000E+01 volume 0.18723E-02 ppm1 1.492 ppm2 8.135 CV 1
ASSI { 293}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 73 and name HN ))
2.600 0.800 0.800 peak 293 weight 0.10000E+01 volume 0.34366E-02 ppm1 2.123 ppm2 9.114 CV 1
ASSI { 294}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 73 and name HN ))
2.400 0.700 0.700 peak 294 weight 0.10000E+01 volume 0.51967E-02 ppm1 1.665 ppm2 9.114 CV 1
ASSI { 295}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HN ))
2.300 0.600 0.600 peak 295 weight 0.10000E+01 volume 0.71270E-02 ppm1 1.931 ppm2 7.522 CV 1
ASSI { 297}
(( segid " " and resid 67 and name HB# ))
(( segid " " and resid 67 and name HN ))
2.200 0.600 0.600 peak 297 weight 0.10000E+01 volume 0.83761E-02 ppm1 1.640 ppm2 8.536 CV 1
ASSI { 299}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 9 and name HN ))
2.200 0.600 0.600 peak 299 weight 0.10000E+01 volume 0.76364E-02 ppm1 2.137 ppm2 7.620 CV 1
ASSI { 301}
(( segid " " and resid 23 and name HG1#))
(( segid " " and resid 23 and name HN ))
2.100 0.500 0.500 peak 301 weight 0.10000E+01 volume 0.11904E-01 ppm1 1.812 ppm2 8.305 CV 1
ASSI { 302}
(( segid " " and resid 23 and name HG1#))
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 302 weight 0.10000E+01 volume 0.20521E-02 ppm1 1.205 ppm2 8.299 CV 1
ASSI { 303}
(( segid " " and resid 19 and name HB# ))
(( segid " " and resid 19 and name HN ))
2.500 0.800 0.800 peak 303 weight 0.10000E+01 volume 0.37416E-02 ppm1 2.359 ppm2 7.767 CV 1
ASSI { 308}
(( segid " " and resid 75 and name HB# ))
(( segid " " and resid 75 and name HN ))
3.200 1.300 1.300 peak 308 weight 0.10000E+01 volume 0.86870E-03 ppm1 2.042 ppm2 8.796 CV 1
ASSI { 310}
(( segid " " and resid 61 and name HB# ))
(( segid " " and resid 61 and name HN ))
2.700 0.900 0.900 peak 310 weight 0.10000E+01 volume 0.23889E-02 ppm1 2.552 ppm2 8.113 CV 1
ASSI { 312}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 99 and name HN ))
2.300 0.600 0.600 peak 312 weight 0.10000E+01 volume 0.67979E-02 ppm1 2.336 ppm2 7.392 CV 1
ASSI { 313}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 98 and name HN ))
1.900 0.500 0.500 peak 313 weight 0.10000E+01 volume 0.17815E-01 ppm1 2.331 ppm2 8.412 CV 1
ASSI { 315}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 99 and name HN ))
2.300 0.700 0.700 peak 315 weight 0.10000E+01 volume 0.63077E-02 ppm1 2.285 ppm2 7.394 CV 1
ASSI { 316}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 24 and name HN ))
3.500 1.600 1.600 peak 316 weight 0.10000E+01 volume 0.48809E-03 ppm1 1.625 ppm2 7.767 CV 1
ASSI { 317}
(( segid " " and resid 95 and name HB# ))
(( segid " " and resid 96 and name HN ))
2.300 0.700 0.700 peak 317 weight 0.10000E+01 volume 0.60966E-02 ppm1 2.394 ppm2 8.408 CV 1
ASSI { 318}
(( segid " " and resid 95 and name HB# ))
(( segid " " and resid 92 and name HN ))
2.300 0.700 0.700 peak 318 weight 0.10000E+01 volume 0.67015E-02 ppm1 2.400 ppm2 8.185 CV 1
ASSI { 319}
(( segid " " and resid 95 and name HB# ))
(( segid " " and resid 95 and name HN ))
2.100 0.500 0.500 peak 319 weight 0.10000E+01 volume 0.11207E-01 ppm1 2.397 ppm2 7.990 CV 1
ASSI { 320}
(( segid " " and resid 95 and name HB# ))
(( segid " " and resid 96 and name HN ))
2.400 0.700 0.700 peak 320 weight 0.10000E+01 volume 0.45142E-02 ppm1 2.140 ppm2 8.400 CV 1
ASSI { 322}
(( segid " " and resid 69 and name HG# ))
(( segid " " and resid 69 and name HN ))
2.100 0.600 0.600 peak 322 weight 0.10000E+01 volume 0.97855E-02 ppm1 1.900 ppm2 7.524 CV 1
ASSI { 326}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 86 and name HN ))
2.200 0.600 0.600 peak 326 weight 0.10000E+01 volume 0.76957E-02 ppm1 1.535 ppm2 8.497 CV 1
ASSI { 329}
(( segid " " and resid 119 and name HG ))
(( segid " " and resid 119 and name HN ))
3.100 1.200 1.200 peak 329 weight 0.10000E+01 volume 0.10609E-02 ppm1 1.462 ppm2 7.397 CV 1
ASSI { 330}
(( segid " " and resid 65 and name HG ))
(( segid " " and resid 65 and name HN ))
2.400 0.700 0.700 peak 330 weight 0.10000E+01 volume 0.82490E-02 ppm1 1.802 ppm2 7.577 CV 1
ASSI { 332}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 70 and name HN ))
2.200 0.600 0.600 peak 332 weight 0.10000E+01 volume 0.80134E-02 ppm1 1.328 ppm2 7.499 CV 1
ASSI { 333}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 70 and name HN ))
2.100 0.500 0.500 peak 333 weight 0.10000E+01 volume 0.12411E-01 ppm1 0.954 ppm2 7.496 CV 1
ASSI { 334}
(( segid " " and resid 73 and name HG# ))
(( segid " " and resid 73 and name HN ))
1.900 0.500 0.500 peak 334 weight 0.10000E+01 volume 0.18840E-01 ppm1 1.771 ppm2 9.120 CV 1
ASSI { 336}
(( segid " " and resid 96 and name HG ))
(( segid " " and resid 96 and name HN ))
2.500 0.800 0.800 peak 336 weight 0.10000E+01 volume 0.40376E-02 ppm1 1.839 ppm2 8.403 CV 1
ASSI { 343}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HN ))
3.100 1.200 1.200 peak 343 weight 0.10000E+01 volume 0.10375E-02 ppm1 0.849 ppm2 7.805 CV 1
ASSI { 350}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 58 and name HN ))
2.900 1.000 1.000 peak 350 weight 0.10000E+01 volume 0.16829E-02 ppm1 0.999 ppm2 8.725 CV 1
ASSI { 353}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 108 and name HN ))
2.300 0.700 0.700 peak 353 weight 0.10000E+01 volume 0.64135E-02 ppm1 0.880 ppm2 8.860 CV 1
ASSI { 355}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 112 and name HN ))
2.600 0.800 0.800 peak 355 weight 0.10000E+01 volume 0.32968E-02 ppm1 0.820 ppm2 9.284 CV 1
ASSI { 356}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 79 and name HN ))
2.100 0.600 0.600 peak 356 weight 0.10000E+01 volume 0.10716E-01 ppm1 0.822 ppm2 9.163 CV 1
ASSI { 357}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HN ))
3.400 1.400 1.400 peak 357 weight 0.10000E+01 volume 0.19072E-02 ppm1 0.821 ppm2 6.948 CV 1
ASSI { 359}
( segid " " and resid 78 and name HD# )
( segid " " and resid 80 and name HE% )
2.100 0.600 0.600 peak 359 weight 0.10000E+01 volume 0.10110E-01 ppm1 0.820 ppm2 6.681 CV 1
ASSI { 360}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HN ))
2.400 0.700 0.700 peak 360 weight 0.10000E+01 volume 0.52380E-02 ppm1 3.684 ppm2 9.106 CV 1
ASSI { 361}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 62 and name HN ))
3.300 1.300 1.300 peak 361 weight 0.10000E+01 volume 0.58581E-02 ppm1 3.686 ppm2 8.874 CV 1
OR { 361}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HN ))
ASSI { 371}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 110 and name HN ))
2.100 0.500 0.500 peak 371 weight 0.10000E+01 volume 0.11198E-01 ppm1 1.560 ppm2 9.010 CV 1
ASSI { 372}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 111 and name HN ))
2.400 0.700 0.700 peak 372 weight 0.10000E+01 volume 0.53768E-02 ppm1 1.560 ppm2 8.515 CV 1
ASSI { 374}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 5 and name HZ ))
2.300 0.600 0.600 peak 374 weight 0.10000E+01 volume 0.69459E-02 ppm1 1.560 ppm2 7.234 CV 1
OR { 374}
( segid " " and resid 110 and name HB% )
( segid " " and resid 5 and name HD% )
ASSI { 377}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 110 and name HA ))
1.900 0.400 0.400 peak 377 weight 0.10000E+01 volume 0.21948E-01 ppm1 1.560 ppm2 6.504 CV 1
ASSI { 379}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 60 and name HN ))
3.000 1.100 1.100 peak 379 weight 0.10000E+01 volume 0.13653E-02 ppm1 1.376 ppm2 8.924 CV 1
ASSI { 380}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 89 and name HN ))
2.100 0.600 0.600 peak 380 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.376 ppm2 8.593 CV 1
ASSI { 384}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 60 and name HN ))
2.600 0.800 0.800 peak 384 weight 0.10000E+01 volume 0.33583E-02 ppm1 3.880 ppm2 8.927 CV 1
ASSI { 385}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HN ))
3.900 1.900 1.900 peak 385 weight 0.10000E+01 volume 0.28937E-03 ppm1 3.765 ppm2 7.716 CV 1
ASSI { 386}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.300 0.700 0.700 peak 386 weight 0.10000E+01 volume 0.62932E-02 ppm1 3.764 ppm2 8.302 CV 1
ASSI { 388}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 36 and name HN ))
2.400 0.700 0.700 peak 388 weight 0.10000E+01 volume 0.54591E-02 ppm1 0.898 ppm2 8.699 CV 1
ASSI { 390}
( segid " " and resid 35 and name HG# )
( segid " " and resid 111 and name HE% )
2.000 0.500 0.500 peak 390 weight 0.10000E+01 volume 0.13584E-01 ppm1 0.899 ppm2 6.644 CV 1
ASSI { 392}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 35 and name HA ))
2.000 0.500 0.500 peak 392 weight 0.10000E+01 volume 0.14399E-01 ppm1 0.899 ppm2 5.724 CV 1
ASSI { 396}
( segid " " and resid 35 and name HG# )
( segid " " and resid 62 and name HE% )
2.100 0.600 0.600 peak 396 weight 0.10000E+01 volume 0.10315E-01 ppm1 0.827 ppm2 6.516 CV 1
ASSI { 398}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 35 and name HA ))
2.000 0.500 0.500 peak 398 weight 0.10000E+01 volume 0.12855E-01 ppm1 0.827 ppm2 5.726 CV 1
ASSI { 399}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 35 and name HN ))
2.400 0.700 0.700 peak 399 weight 0.10000E+01 volume 0.46131E-02 ppm1 0.826 ppm2 9.115 CV 1
ASSI { 406}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 60 and name HN ))
2.400 0.700 0.700 peak 406 weight 0.10000E+01 volume 0.51618E-02 ppm1 0.864 ppm2 8.921 CV 1
ASSI { 407}
( segid " " and resid 59 and name HG# )
( segid " " and resid 80 and name HD% )
2.100 0.600 0.600 peak 407 weight 0.10000E+01 volume 0.11157E-01 ppm1 0.863 ppm2 6.811 CV 1
ASSI { 409}
( segid " " and resid 59 and name HG# )
( segid " " and resid 63 and name HE% )
2.100 0.500 0.500 peak 409 weight 0.10000E+01 volume 0.12476E-01 ppm1 0.863 ppm2 6.132 CV 1
ASSI { 410}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 34 and name HN ))
2.100 0.600 0.600 peak 410 weight 0.10000E+01 volume 0.96373E-02 ppm1 0.641 ppm2 8.778 CV 1
ASSI { 414}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 59 and name HN ))
2.500 0.800 0.800 peak 414 weight 0.10000E+01 volume 0.37657E-02 ppm1 1.271 ppm2 9.105 CV 1
ASSI { 423}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 82 and name HN ))
2.700 0.900 0.900 peak 423 weight 0.10000E+01 volume 0.22295E-02 ppm1 0.833 ppm2 9.347 CV 1
ASSI { 425}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 86 and name HN ))
2.300 0.600 0.600 peak 425 weight 0.10000E+01 volume 0.73168E-02 ppm1 0.974 ppm2 8.494 CV 1
ASSI { 426}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 85 and name HN ))
2.300 0.700 0.700 peak 426 weight 0.10000E+01 volume 0.61218E-02 ppm1 0.974 ppm2 8.185 CV 1
ASSI { 427}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HN ))
2.200 0.600 0.600 peak 427 weight 0.10000E+01 volume 0.81115E-02 ppm1 3.857 ppm2 9.019 CV 1
ASSI { 430}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 18 and name HN ))
2.300 0.700 0.700 peak 430 weight 0.10000E+01 volume 0.67243E-02 ppm1 4.008 ppm2 7.598 CV 1
ASSI { 431}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 55 and name HN ))
2.500 0.800 0.800 peak 431 weight 0.10000E+01 volume 0.40399E-02 ppm1 3.727 ppm2 8.354 CV 1
ASSI { 432}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 55 and name HN ))
2.500 0.800 0.800 peak 432 weight 0.10000E+01 volume 0.43904E-02 ppm1 3.657 ppm2 8.352 CV 1
ASSI { 433}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 117 and name HN ))
2.500 0.800 0.800 peak 433 weight 0.10000E+01 volume 0.40641E-02 ppm1 0.752 ppm2 8.230 CV 1
ASSI { 434}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 116 and name HN ))
2.600 0.800 0.800 peak 434 weight 0.10000E+01 volume 0.31869E-02 ppm1 0.752 ppm2 6.982 CV 1
ASSI { 435}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 38 and name HN ))
2.900 1.000 1.000 peak 435 weight 0.10000E+01 volume 0.17023E-02 ppm1 1.606 ppm2 8.897 CV 1
ASSI { 436}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 113 and name HN ))
2.300 0.700 0.700 peak 436 weight 0.10000E+01 volume 0.59418E-02 ppm1 1.603 ppm2 9.434 CV 1
ASSI { 439}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 43 and name HN ))
2.400 0.700 0.700 peak 439 weight 0.10000E+01 volume 0.44225E-02 ppm1 1.604 ppm2 6.933 CV 1
ASSI { 443}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 82 and name HN ))
2.800 1.000 1.000 peak 443 weight 0.10000E+01 volume 0.19585E-02 ppm1 0.643 ppm2 9.341 CV 1
ASSI { 448}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 86 and name HN ))
2.700 0.900 0.900 peak 448 weight 0.10000E+01 volume 0.24657E-02 ppm1 0.981 ppm2 8.499 CV 1
ASSI { 451}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HN ))
2.000 0.500 0.500 peak 451 weight 0.10000E+01 volume 0.14308E-01 ppm1 4.032 ppm2 7.359 CV 1
OR { 451}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 64 and name HD% )
ASSI { 452}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HN ))
2.200 0.600 0.600 peak 452 weight 0.10000E+01 volume 0.90399E-02 ppm1 3.944 ppm2 9.118 CV 1
ASSI { 453}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 80 and name HE% )
2.800 1.000 1.000 peak 453 weight 0.10000E+01 volume 0.19899E-02 ppm1 3.944 ppm2 6.656 CV 1
ASSI { 454}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 80 and name HZ ))
2.000 0.500 0.500 peak 454 weight 0.10000E+01 volume 0.13712E-01 ppm1 3.945 ppm2 6.395 CV 1
ASSI { 458}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HN ))
2.500 0.800 0.800 peak 458 weight 0.10000E+01 volume 0.43302E-02 ppm1 3.432 ppm2 7.816 CV 1
ASSI { 464}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HN ))
2.400 0.700 0.700 peak 464 weight 0.10000E+01 volume 0.45248E-02 ppm1 4.136 ppm2 6.983 CV 1
ASSI { 465}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HN ))
1.900 0.500 0.500 peak 465 weight 0.10000E+01 volume 0.18766E-01 ppm1 3.605 ppm2 7.869 CV 1
ASSI { 466}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HN ))
2.500 0.800 0.800 peak 466 weight 0.10000E+01 volume 0.36144E-02 ppm1 3.702 ppm2 8.351 CV 1
ASSI { 468}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 91 and name HN ))
1.900 0.400 0.400 peak 468 weight 0.10000E+01 volume 0.20792E-01 ppm1 1.507 ppm2 7.285 CV 1
ASSI { 469}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 94 and name HN ))
2.400 0.700 0.700 peak 469 weight 0.10000E+01 volume 0.47321E-02 ppm1 3.700 ppm2 9.462 CV 1
ASSI { 472}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 23 and name HN ))
2.900 1.100 1.100 peak 472 weight 0.10000E+01 volume 0.15029E-02 ppm1 0.871 ppm2 8.306 CV 1
ASSI { 473}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 473 weight 0.10000E+01 volume 0.37500E-02 ppm1 0.872 ppm2 7.766 CV 1
ASSI { 476}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 43 and name HN ))
2.300 0.600 0.600 peak 476 weight 0.10000E+01 volume 0.72718E-02 ppm1 1.107 ppm2 6.932 CV 1
ASSI { 480}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
2.500 0.800 0.800 peak 480 weight 0.10000E+01 volume 0.13641E-02 ppm1 4.451 ppm2 6.930 CV 1
ASSI { 481}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 44 and name HN ))
3.000 1.100 1.100 peak 481 weight 0.10000E+01 volume 0.13621E-02 ppm1 0.740 ppm2 8.297 CV 1
ASSI { 482}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 70 and name HN ))
2.200 0.600 0.600 peak 482 weight 0.10000E+01 volume 0.90438E-02 ppm1 0.740 ppm2 7.500 CV 1
ASSI { 483}{, calib: n328}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.600 0.900 0.900 peak 483 weight 0.10000E+01 volume 0.11730E-01 ppm1 3.764 ppm2 9.564 CV 1
ASSI { 485}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 111 and name HN ))
3.000 1.100 1.100 peak 485 weight 0.10000E+01 volume 0.13206E-02 ppm1 1.205 ppm2 8.507 CV 1
ASSI { 486} {recal n 722}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 41 and name HN ))
3.000 1.200 1.200 peak 486 weight 0.10000E+01 volume 0.23417E-02 ppm1 1.207 ppm2 7.466 CV 1
ASSI { 487}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 112 and name HG ))
2.800 1.000 1.000 peak 487 weight 0.10000E+01 volume 0.21593E-02 ppm1 1.202 ppm2 6.512 CV 1
ASSI { 488}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HN ))
2.100 0.600 0.600 peak 488 weight 0.10000E+01 volume 0.99089E-02 ppm1 3.885 ppm2 7.405 CV 1
OR { 488}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
ASSI { 489}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.200 0.600 0.600 peak 489 weight 0.10000E+01 volume 0.91241E-02 ppm1 3.184 ppm2 8.663 CV 1
ASSI { 492}
( segid " " and resid 66 and name HG# )
( segid " " and resid 80 and name HE% )
2.200 0.600 0.600 peak 492 weight 0.10000E+01 volume 0.91837E-02 ppm1 0.361 ppm2 6.656 CV 1
ASSI { 494}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HN ))
2.500 0.800 0.800 peak 494 weight 0.10000E+01 volume 0.99300E-02 ppm1 4.066 ppm2 8.411 CV 1
ASSI { 496}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 83 and name HN ))
2.800 1.000 1.000 peak 496 weight 0.10000E+01 volume 0.20500E-02 ppm1 1.627 ppm2 9.837 CV 1
ASSI { 498}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 84 and name HN ))
3.200 1.200 1.200 peak 498 weight 0.10000E+01 volume 0.97358E-03 ppm1 1.627 ppm2 8.167 CV 1
ASSI { 504}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HN ))
2.200 0.600 0.600 peak 504 weight 0.10000E+01 volume 0.74846E-02 ppm1 4.157 ppm2 7.991 CV 1
ASSI { 506}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 118 and name HN ))
2.300 0.600 0.600 peak 506 weight 0.10000E+01 volume 0.68368E-02 ppm1 3.722 ppm2 7.546 CV 1
ASSI { 508}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 110 and name HN ))
2.200 0.600 0.600 peak 508 weight 0.10000E+01 volume 0.89526E-02 ppm1 0.472 ppm2 9.016 CV 1
ASSI { 518}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 64 and name HN ))
2.900 1.000 1.000 peak 518 weight 0.10000E+01 volume 0.17570E-02 ppm1 4.278 ppm2 7.359 CV 1
OR { 518}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 64 and name HD% )
ASSI { 519}{ calib n188}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HN ))
2.300 0.600 0.600 peak 519 weight 0.10000E+01 volume 0.11350E-01 ppm1 3.939 ppm2 7.567 CV 1
OR { 519}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 69 and name HN ))
ASSI { 523}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 81 and name HZ ))
1.900 0.500 0.500 peak 523 weight 0.10000E+01 volume 0.17527E-01 ppm1 3.398 ppm2 7.180 CV 1
OR { 523}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 81 and name HE# ))
ASSI { 525}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.400 0.700 0.700 peak 525 weight 0.10000E+01 volume 0.45903E-02 ppm1 4.499 ppm2 8.394 CV 1
ASSI { 527}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 527 weight 0.10000E+01 volume 0.12059E-01 ppm1 3.815 ppm2 7.722 CV 1
ASSI { 531}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 91 and name HN ))
3.000 1.100 1.100 peak 531 weight 0.10000E+01 volume 0.12450E-02 ppm1 4.429 ppm2 7.283 CV 1
ASSI { 532}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 100 and name HD# ))
2.000 0.500 0.500 peak 532 weight 0.10000E+01 volume 0.14312E-01 ppm1 4.256 ppm2 6.946 CV 1
ASSI { 533}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 96 and name HN ))
2.300 0.700 0.700 peak 533 weight 0.10000E+01 volume 0.63476E-02 ppm1 4.254 ppm2 8.402 CV 1
ASSI { 535}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 43 and name HN ))
2.900 1.000 1.000 peak 535 weight 0.10000E+01 volume 0.16501E-02 ppm1 1.137 ppm2 6.921 CV 1
ASSI { 540}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 102 and name HN ))
1.900 0.500 0.500 peak 540 weight 0.10000E+01 volume 0.18965E-01 ppm1 4.276 ppm2 8.823 CV 1
ASSI { 541}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.200 0.600 0.600 peak 541 weight 0.10000E+01 volume 0.88050E-02 ppm1 4.156 ppm2 7.616 CV 1
ASSI { 542}{symcalib n418}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HN ))
2.300 0.700 0.700 peak 542 weight 0.10000E+01 volume 0.99950E-02 ppm1 4.105 ppm2 8.794 CV 1
ASSI { 544}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
1.900 0.500 0.500 peak 544 weight 0.10000E+01 volume 0.18604E-01 ppm1 4.470 ppm2 8.598 CV 1
ASSI { 551}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HN ))
1.900 0.400 0.400 peak 551 weight 0.10000E+01 volume 0.22140E-01 ppm1 4.220 ppm2 7.501 CV 1
ASSI { 552}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.600 0.800 0.800 peak 552 weight 0.10000E+01 volume 0.78622E-02 ppm1 4.028 ppm2 7.763 CV 1
ASSI { 557}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
1.700 0.400 0.500 peak 557 weight 0.10000E+01 volume 0.37392E-01 ppm1 3.064 ppm2 8.892 CV 1
ASSI { 558}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 111 and name HN ))
2.100 0.600 0.600 peak 558 weight 0.10000E+01 volume 0.10015E-01 ppm1 3.066 ppm2 8.515 CV 1
ASSI { 560}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
2.300 0.600 0.600 peak 560 weight 0.10000E+01 volume 0.74013E-02 ppm1 4.486 ppm2 9.158 CV 1
ASSI { 561}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
2.100 0.600 0.600 peak 561 weight 0.10000E+01 volume 0.13931E-01 ppm1 4.486 ppm2 6.938 CV 1
ASSI { 562}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
1.900 0.400 0.400 peak 562 weight 0.10000E+01 volume 0.20981E-01 ppm1 4.217 ppm2 8.063 CV 1
ASSI { 563}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 117 and name HE% )
2.100 0.600 0.600 peak 563 weight 0.10000E+01 volume 0.10738E-01 ppm1 4.216 ppm2 6.597 CV 1
ASSI { 564}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HN ))
2.100 0.500 0.500 peak 564 weight 0.10000E+01 volume 0.24680E-01 ppm1 4.056 ppm2 8.169 CV 1
ASSI { 565}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 86 and name HN ))
2.800 1.000 1.200 peak 565 weight 0.10000E+01 volume 0.19342E-02 ppm1 0.824 ppm2 8.497 CV 1
ASSI { 566}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 81 and name HZ ))
2.100 0.600 0.600 peak 566 weight 0.10000E+01 volume 0.10215E-01 ppm1 0.824 ppm2 7.193 CV 1
OR { 566}
( segid " " and resid 86 and name HD# )
( segid " " and resid 81 and name HE% )
ASSI { 569}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
1.800 0.400 0.400 peak 569 weight 0.10000E+01 volume 0.27757E-01 ppm1 4.282 ppm2 8.723 CV 1
ASSI { 571}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
2.400 0.700 0.700 peak 571 weight 0.10000E+01 volume 0.49765E-02 ppm1 4.401 ppm2 8.691 CV 1
ASSI { 572}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HN ))
2.400 0.700 0.700 peak 572 weight 0.10000E+01 volume 0.44955E-02 ppm1 4.367 ppm2 9.113 CV 1
ASSI { 573}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HN ))
2.300 0.600 0.600 peak 573 weight 0.10000E+01 volume 0.27526E-01 ppm1 4.329 ppm2 9.838 CV 1
ASSI { 574 }{calib n1399}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 84 and name HN ))
2.600 0.800 0.800 peak 574 weight 0.10000E+01 volume 0.15451E-01 ppm1 4.328 ppm2 8.168 CV 1
ASSI { 577}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HN ))
1.800 0.400 0.400 peak 577 weight 0.10000E+01 volume 0.29199E-01 ppm1 4.487 ppm2 9.116 CV 1
ASSI { 580}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
1.800 0.400 0.400 peak 580 weight 0.10000E+01 volume 0.28398E-01 ppm1 4.487 ppm2 9.163 CV 1
ASSI { 581}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.100 0.600 0.600 peak 581 weight 0.10000E+01 volume 0.99979E-02 ppm1 4.489 ppm2 7.456 CV 1
ASSI { 582}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HN ))
2.500 0.800 0.800 peak 582 weight 0.10000E+01 volume 0.77105E-02 ppm1 4.041 ppm2 8.473 CV 1
ASSI { 583}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HN ))
1.800 0.400 0.400 peak 583 weight 0.10000E+01 volume 0.28065E-01 ppm1 4.041 ppm2 6.970 CV 1
ASSI { 585}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
2.900 1.000 1.000 peak 585 weight 0.10000E+01 volume 0.17081E-02 ppm1 4.419 ppm2 8.900 CV 1
ASSI { 587}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 86 and name HA ))
1.900 0.500 0.500 peak 587 weight 0.10000E+01 volume 0.19898E-01 ppm1 4.095 ppm2 5.199 CV 1
ASSI { 588}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 86 and name HA ))
1.900 0.400 0.400 peak 588 weight 0.10000E+01 volume 0.20998E-01 ppm1 3.944 ppm2 5.198 CV 1
ASSI { 591}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 591 weight 0.10000E+01 volume 0.18608E-02 ppm1 3.625 ppm2 8.557 CV 1
ASSI { 592}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 27 and name HA ))
1.900 0.400 0.400 peak 592 weight 0.10000E+01 volume 0.20426E-01 ppm1 3.625 ppm2 5.092 CV 1
ASSI { 593}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 27 and name HA ))
2.000 0.500 0.500 peak 593 weight 0.10000E+01 volume 0.12867E-01 ppm1 3.289 ppm2 5.089 CV 1
ASSI { 594}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 66 and name HN ))
2.500 0.800 0.800 peak 594 weight 0.10000E+01 volume 0.35291E-02 ppm1 -0.117 ppm2 7.818 CV 1
ASSI { 598}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 76 and name HB# ))
2.200 0.600 0.600 peak 598 weight 0.10000E+01 volume 0.80138E-02 ppm1 1.692 ppm2 2.762 CV 1
ASSI { 599}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 73 and name HD# ))
3.000 1.100 1.100 peak 599 weight 0.10000E+01 volume 0.12487E-02 ppm1 1.700 ppm2 3.284 CV 1
ASSI { 622}
(( segid " " and resid 21 and name HB# ))
(( segid " " and resid 21 and name HA ))
2.100 0.600 0.600 peak 622 weight 0.10000E+01 volume 0.11106E-01 ppm1 1.923 ppm2 3.183 CV 1
ASSI { 630}
(( segid " " and resid 26 and name HD# ))
(( segid " " and resid 26 and name HE# ))
2.000 0.500 0.500 peak 630 weight 0.10000E+01 volume 0.13363E-01 ppm1 1.450 ppm2 2.786 CV 1
ASSI { 633}
(( segid " " and resid 54 and name HG# ))
(( segid " " and resid 54 and name HB# ))
2.400 0.700 0.700 peak 633 weight 0.10000E+01 volume 0.56024E-02 ppm1 1.906 ppm2 2.550 CV 1
ASSI { 637}
(( segid " " and resid 42 and name HG# ))
(( segid " " and resid 42 and name HD# ))
2.500 0.800 0.800 peak 637 weight 0.10000E+01 volume 0.34933E-02 ppm1 1.690 ppm2 3.297 CV 1
ASSI { 640}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 54 and name HB# ))
3.300 1.300 1.300 peak 640 weight 0.10000E+01 volume 0.80367E-03 ppm1 1.301 ppm2 2.550 CV 1
ASSI { 643}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 28 and name HD# ))
2.100 0.500 0.500 peak 643 weight 0.10000E+01 volume 0.11286E-01 ppm1 1.947 ppm2 3.286 CV 1
ASSI { 646}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 28 and name HB# ))
2.100 0.500 0.500 peak 646 weight 0.10000E+01 volume 0.11771E-01 ppm1 1.906 ppm2 2.328 CV 1
ASSI { 647}
(( segid " " and resid 73 and name HG# ))
(( segid " " and resid 73 and name HD# ))
1.800 0.400 0.400 peak 647 weight 0.10000E+01 volume 0.27727E-01 ppm1 1.772 ppm2 3.265 CV 1
ASSI { 649}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 62 and name HB# ))
2.500 0.800 0.800 peak 649 weight 0.10000E+01 volume 0.42041E-02 ppm1 0.898 ppm2 3.139 CV 1
ASSI { 652}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 76 and name HB# ))
2.200 0.600 0.600 peak 652 weight 0.10000E+01 volume 0.78019E-02 ppm1 0.848 ppm2 2.782 CV 1
ASSI { 654}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 32 and name HD# ))
2.200 0.600 0.600 peak 654 weight 0.10000E+01 volume 0.77249E-02 ppm1 1.434 ppm2 3.361 CV 1
ASSI { 658}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 61 and name HB# ))
2.100 0.500 0.500 peak 658 weight 0.10000E+01 volume 0.11319E-01 ppm1 0.999 ppm2 2.532 CV 1
ASSI { 662}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 100 and name HB# ))
2.200 0.600 0.600 peak 662 weight 0.10000E+01 volume 0.83769E-02 ppm1 0.882 ppm2 3.078 CV 1
ASSI { 664}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 111 and name HB# ))
2.200 0.600 0.600 peak 664 weight 0.10000E+01 volume 0.91072E-02 ppm1 0.821 ppm2 3.263 CV 1
ASSI { 666}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 76 and name HB# ))
2.600 0.900 0.900 peak 666 weight 0.10000E+01 volume 0.30194E-02 ppm1 0.896 ppm2 2.845 CV 1
ASSI { 668}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 81 and name HB# ))
2.200 0.600 0.600 peak 668 weight 0.10000E+01 volume 0.92025E-02 ppm1 1.560 ppm2 2.788 CV 1
ASSI { 674}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 51 and name HB# ))
2.600 0.900 0.900 peak 674 weight 0.10000E+01 volume 0.29106E-02 ppm1 0.855 ppm2 2.642 CV 1
ASSI { 675}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 97 and name HB# ))
2.000 0.500 0.500 peak 675 weight 0.10000E+01 volume 0.13856E-01 ppm1 0.378 ppm2 3.315 CV 1
ASSI { 676}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 97 and name HB# ))
2.400 0.700 0.700 peak 676 weight 0.10000E+01 volume 0.49913E-02 ppm1 0.378 ppm2 3.044 CV 1
ASSI { 686}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 95 and name HB# ))
2.200 0.600 0.600 peak 686 weight 0.10000E+01 volume 0.83272E-02 ppm1 1.507 ppm2 2.403 CV 1
ASSI { 689}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 32 and name HD# ))
2.400 0.700 0.700 peak 689 weight 0.10000E+01 volume 0.49003E-02 ppm1 0.872 ppm2 3.351 CV 1
ASSI { 690}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 27 and name HB# ))
3.000 1.100 1.100 peak 690 weight 0.10000E+01 volume 0.14004E-02 ppm1 0.870 ppm2 2.895 CV 1
ASSI { 697}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 81 and name HB# ))
2.400 0.700 0.700 peak 697 weight 0.10000E+01 volume 0.49600E-02 ppm1 1.627 ppm2 2.790 CV 1
ASSI { 698}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 81 and name HB# ))
2.400 0.700 0.700 peak 698 weight 0.10000E+01 volume 0.48914E-02 ppm1 1.626 ppm2 2.654 CV 1
ASSI { 701}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 80 and name HB# ))
2.200 0.600 0.600 peak 701 weight 0.10000E+01 volume 0.94493E-02 ppm1 0.471 ppm2 2.922 CV 1
ASSI { 706}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 62 and name HB# ))
3.200 1.200 1.200 peak 706 weight 0.10000E+01 volume 0.95770E-03 ppm1 0.984 ppm2 3.131 CV 1
ASSI { 707}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 93 and name HG# ))
2.300 0.700 0.700 peak 707 weight 0.10000E+01 volume 0.62120E-02 ppm1 0.984 ppm2 2.383 CV 1
ASSI { 709}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 19 and name HG# ))
2.100 0.500 0.500 peak 709 weight 0.10000E+01 volume 0.11911E-01 ppm1 0.880 ppm2 2.345 CV 1
ASSI { 712}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 79 and name HB# ))
2.700 0.900 0.900 peak 712 weight 0.10000E+01 volume 0.27314E-02 ppm1 0.823 ppm2 2.511 CV 1
ASSI { 715}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 107 and name HG ))
2.500 0.800 0.800 peak 715 weight 0.10000E+01 volume 0.39600E-02 ppm1 0.376 ppm2 0.771 CV 1
ASSI { 721}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 109 and name HG1#))
1.900 0.500 0.500 peak 721 weight 0.10000E+01 volume 0.17818E-01 ppm1 0.300 ppm2 1.328 CV 1
ASSI { 727}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 50 and name HB# ))
2.900 1.100 1.100 peak 727 weight 0.10000E+01 volume 0.12687E-01 ppm1 -0.565 ppm2 1.229 CV 1
ASSI { 728}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 50 and name HG# ))
3.100 1.200 1.200 peak 728 weight 0.10000E+01 volume 0.10441E-02 ppm1 -0.565 ppm2 1.009 CV 1
ASSI { 729}
( segid " " and resid 34 and name HD# )
( segid " " and resid 34 and name HG# )
2.000 0.500 0.500 peak 729 weight 0.10000E+01 volume 0.16086E-01 ppm1 -0.565 ppm2 0.649 CV 1
ASSI { 731}
( segid " " and resid 66 and name HD# )
( segid " " and resid 35 and name HG# )
1.900 0.400 0.400 peak 731 weight 0.10000E+01 volume 0.23521E-01 ppm1 -0.119 ppm2 0.867 CV 1
ASSI { 732}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 66 and name HG1#))
2.000 0.500 0.500 peak 732 weight 0.10000E+01 volume 0.15584E-01 ppm1 -0.119 ppm2 0.693 CV 1
ASSI { 734}
(( segid " " and resid 94 and name HA# ))
( segid " " and resid 31 and name HG# )
2.200 0.600 0.600 peak 734 weight 0.10000E+01 volume 0.80430E-02 ppm1 3.717 ppm2 0.395 CV 1
ASSI { 741}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HG# ))
2.800 1.000 1.000 peak 741 weight 0.10000E+01 volume 0.19083E-02 ppm1 2.775 ppm2 0.530 CV 1
ASSI { 742}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HG# ))
2.300 0.700 0.700 peak 742 weight 0.10000E+01 volume 0.64559E-02 ppm1 2.817 ppm2 0.519 CV 1
ASSI { 747}
(( segid " " and resid 97 and name HB# ))
( segid " " and resid 31 and name HG# )
2.400 0.700 0.700 peak 747 weight 0.10000E+01 volume 0.51640E-02 ppm1 3.307 ppm2 0.394 CV 1
ASSI { 748}
(( segid " " and resid 97 and name HB# ))
( segid " " and resid 31 and name HG# )
2.100 0.600 0.600 peak 748 weight 0.10000E+01 volume 0.10204E-01 ppm1 3.047 ppm2 0.386 CV 1
ASSI { 751}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 34 and name HG1#))
2.200 0.600 0.600 peak 751 weight 0.10000E+01 volume 0.87748E-02 ppm1 1.275 ppm2 0.106 CV 1
ASSI { 752}
(( segid " " and resid 66 and name HB ))
( segid " " and resid 66 and name HG# )
1.800 0.400 0.400 peak 752 weight 0.10000E+01 volume 0.23899E-01 ppm1 1.784 ppm2 0.375 CV 1
ASSI { 753}
(( segid " " and resid 31 and name HB ))
( segid " " and resid 31 and name HG# )
1.800 0.400 0.400 peak 753 weight 0.10000E+01 volume 0.32526E-01 ppm1 1.386 ppm2 0.395 CV 1
ASSI { 756}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 53 and name HG# )
2.000 0.500 0.500 peak 756 weight 0.10000E+01 volume 0.14872E-01 ppm1 1.966 ppm2 0.566 CV 1
ASSI { 759}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 52 and name HD# )
2.800 1.000 1.000 peak 759 weight 0.10000E+01 volume 0.17782E-02 ppm1 1.202 ppm2 0.463 CV 1
ASSI { 762}
(( segid " " and resid 93 and name HB# ))
( segid " " and resid 31 and name HG# )
2.700 0.900 0.900 peak 762 weight 0.10000E+01 volume 0.25475E-02 ppm1 1.394 ppm2 0.399 CV 1
ASSI { 765}
(( segid " " and resid 70 and name HG1#))
( segid " " and resid 70 and name HD# )
1.900 0.400 0.400 peak 765 weight 0.10000E+01 volume 0.22210E-01 ppm1 1.329 ppm2 0.465 CV 1
ASSI { 767}
( segid " " and resid 57 and name HD# )
( segid " " and resid 53 and name HG# )
2.500 0.800 0.800 peak 767 weight 0.10000E+01 volume 0.43482E-02 ppm1 0.896 ppm2 0.566 CV 1
ASSI { 770}
( segid " " and resid 46 and name HD# )
( segid " " and resid 66 and name HG# )
2.000 0.500 0.500 peak 770 weight 0.10000E+01 volume 0.13244E-01 ppm1 0.892 ppm2 0.364 CV 1
ASSI { 771}
( segid " " and resid 46 and name HD# )
( segid " " and resid 66 and name HD# )
2.200 0.600 0.600 peak 771 weight 0.10000E+01 volume 0.80393E-02 ppm1 0.890 ppm2 -0.123 CV 1
ASSI { 773}
( segid " " and resid 46 and name HD# )
( segid " " and resid 66 and name HG# )
2.300 0.600 0.600 peak 773 weight 0.10000E+01 volume 0.71872E-02 ppm1 0.973 ppm2 0.363 CV 1
ASSI { 775}
( segid " " and resid 96 and name HD# )
( segid " " and resid 109 and name HD# )
3.800 1.800 1.800 peak 775 weight 0.10000E+01 volume 0.30980E-03 ppm1 0.912 ppm2 0.306 CV 1
ASSI { 787}
( segid " " and resid 35 and name HG# )
( segid " " and resid 109 and name HG# )
2.100 0.500 0.500 peak 787 weight 0.10000E+01 volume 0.11621E-01 ppm1 0.899 ppm2 0.467 CV 1
ASSI { 788}
( segid " " and resid 35 and name HG# )
( segid " " and resid 66 and name HG# )
2.300 0.600 0.600 peak 788 weight 0.10000E+01 volume 0.68547E-02 ppm1 0.899 ppm2 0.366 CV 1
ASSI { 793}
(( segid " " and resid 55 and name HB# ))
( segid " " and resid 31 and name HG# )
3.400 1.400 1.400 peak 793 weight 0.10000E+01 volume 0.66627E-03 ppm1 3.730 ppm2 0.394 CV 1
ASSI { 796}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 66 and name HG# )
2.100 0.500 0.500 peak 796 weight 0.10000E+01 volume 0.12430E-01 ppm1 3.432 ppm2 0.365 CV 1
ASSI { 797}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 66 and name HD# )
1.900 0.400 0.400 peak 797 weight 0.10000E+01 volume 0.20563E-01 ppm1 3.431 ppm2 -0.120 CV 1
ASSI { 798}
(( segid " " and resid 55 and name HA ))
( segid " " and resid 31 and name HG# )
2.100 0.500 0.500 peak 798 weight 0.10000E+01 volume 0.12006E-01 ppm1 3.701 ppm2 0.400 CV 1
ASSI { 804}
( segid " " and resid 93 and name HE% )
( segid " " and resid 31 and name HG# )
2.300 0.600 0.600 peak 804 weight 0.10000E+01 volume 0.69915E-02 ppm1 0.984 ppm2 0.429 CV 1
ASSI { 805}
( segid " " and resid 93 and name HE% )
( segid " " and resid 109 and name HD# )
1.900 0.400 0.400 peak 805 weight 0.10000E+01 volume 0.20956E-01 ppm1 0.984 ppm2 0.299 CV 1
ASSI { 806}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HG# )
2.000 0.500 0.500 peak 806 weight 0.10000E+01 volume 0.14339E-01 ppm1 4.161 ppm2 0.389 CV 1
ASSI { 810}
( segid " " and resid 23 and name HD# )
( segid " " and resid 52 and name HD# )
2.000 0.500 0.500 peak 810 weight 0.10000E+01 volume 0.13808E-01 ppm1 0.880 ppm2 0.457 CV 1
ASSI { 811}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 31 and name HG# )
2.700 0.900 0.900 peak 811 weight 0.10000E+01 volume 0.24663E-02 ppm1 3.389 ppm2 0.394 CV 1
ASSI { 815}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HB# ))
2.400 0.700 0.700 peak 815 weight 0.10000E+01 volume 0.55852E-02 ppm1 3.131 ppm2 1.444 CV 1
ASSI { 818}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 17 and name HB# ))
2.500 0.800 0.800 peak 818 weight 0.10000E+01 volume 0.37391E-02 ppm1 3.353 ppm2 0.906 CV 1
ASSI { 822}
(( segid " " and resid 42 and name HD# ))
(( segid " " and resid 42 and name HG# ))
1.900 0.500 0.500 peak 822 weight 0.10000E+01 volume 0.20088E-01 ppm1 3.195 ppm2 1.709 CV 1
ASSI { 825}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HG# ))
2.000 0.500 0.500 peak 825 weight 0.10000E+01 volume 0.17183E-01 ppm1 3.240 ppm2 1.770 CV 1
ASSI { 826}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HG# ))
2.000 0.500 0.500 peak 826 weight 0.10000E+01 volume 0.14393E-01 ppm1 2.677 ppm2 1.427 CV 1
OR { 826}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HB# ))
ASSI { 827}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HG# ))
2.100 0.500 0.500 peak 827 weight 0.10000E+01 volume 0.11242E-01 ppm1 2.678 ppm2 1.291 CV 1
ASSI { 828}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 52 and name HG ))
2.300 0.600 0.600 peak 828 weight 0.10000E+01 volume 0.72479E-02 ppm1 2.677 ppm2 1.100 CV 1
ASSI { 829}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HG# ))
2.000 0.500 0.500 peak 829 weight 0.10000E+01 volume 0.13037E-01 ppm1 2.450 ppm2 1.425 CV 1
ASSI { 831}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HB# ))
2.400 0.700 0.700 peak 831 weight 0.10000E+01 volume 0.51014E-02 ppm1 2.449 ppm2 1.110 CV 1
ASSI { 832}
(( segid " " and resid 69 and name HD# ))
(( segid " " and resid 69 and name HG# ))
1.800 0.400 0.400 peak 832 weight 0.10000E+01 volume 0.27073E-01 ppm1 3.288 ppm2 1.898 CV 1
ASSI { 833}
(( segid " " and resid 69 and name HD# ))
( segid " " and resid 46 and name HD# )
2.700 0.900 0.900 peak 833 weight 0.10000E+01 volume 0.23597E-02 ppm1 3.287 ppm2 0.948 CV 1
ASSI { 834}
(( segid " " and resid 69 and name HD# ))
( segid " " and resid 46 and name HD# )
2.200 0.600 0.600 peak 834 weight 0.10000E+01 volume 0.76068E-02 ppm1 3.287 ppm2 0.876 CV 1
ASSI { 835}
(( segid " " and resid 67 and name HD# ))
(( segid " " and resid 67 and name HB# ))
1.800 0.400 0.400 peak 835 weight 0.10000E+01 volume 0.26201E-01 ppm1 2.816 ppm2 1.617 CV 1
ASSI { 838}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 49 and name HG# ))
2.700 0.900 0.900 peak 838 weight 0.10000E+01 volume 0.25837E-02 ppm1 3.241 ppm2 1.594 CV 1
ASSI { 839}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 49 and name HG# ))
2.400 0.700 0.700 peak 839 weight 0.10000E+01 volume 0.49754E-02 ppm1 3.245 ppm2 1.741 CV 1
ASSI { 847}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HD# ))
2.300 0.700 0.700 peak 847 weight 0.10000E+01 volume 0.63991E-02 ppm1 2.689 ppm2 1.392 CV 1
ASSI { 848}
(( segid " " and resid 48 and name HE# ))
(( segid " " and resid 48 and name HG# ))
2.500 0.800 0.800 peak 848 weight 0.10000E+01 volume 0.36433E-02 ppm1 2.686 ppm2 0.720 CV 1
ASSI { 862}
(( segid " " and resid 25 and name HE# ))
(( segid " " and resid 25 and name HG# ))
2.100 0.500 0.500 peak 862 weight 0.10000E+01 volume 0.12251E-01 ppm1 2.922 ppm2 1.294 CV 1
ASSI { 871}
(( segid " " and resid 25 and name HE# ))
(( segid " " and resid 25 and name HG# ))
2.500 0.800 0.800 peak 871 weight 0.10000E+01 volume 0.35114E-02 ppm1 2.881 ppm2 1.444 CV 1
ASSI { 873}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HG# ))
2.400 0.700 0.700 peak 873 weight 0.10000E+01 volume 0.44758E-02 ppm1 2.819 ppm2 0.934 CV 1
ASSI { 875}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HD# ))
2.200 0.600 0.600 peak 875 weight 0.10000E+01 volume 0.91545E-02 ppm1 2.773 ppm2 1.407 CV 1
ASSI { 877}
(( segid " " and resid 37 and name HE# ))
(( segid " " and resid 37 and name HB# ))
1.800 0.400 0.400 peak 877 weight 0.10000E+01 volume 0.32002E-01 ppm1 2.992 ppm2 1.537 CV 1
ASSI { 878}
(( segid " " and resid 37 and name HE# ))
( segid " " and resid 41 and name HB% )
1.700 0.300 0.500 peak 878 weight 0.10000E+01 volume 0.45639E-01 ppm1 3.006 ppm2 1.624 CV 1
ASSI { 882}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HG# ))
2.100 0.600 0.600 peak 882 weight 0.10000E+01 volume 0.97788E-02 ppm1 2.773 ppm2 1.218 CV 1
OR { 882}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HB# ))
ASSI { 883}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 50 and name HG# ))
2.300 0.700 0.700 peak 883 weight 0.10000E+01 volume 0.59072E-02 ppm1 2.770 ppm2 1.011 CV 1
ASSI { 884}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 24 and name HG# ))
2.000 0.500 0.500 peak 884 weight 0.10000E+01 volume 0.14137E-01 ppm1 3.246 ppm2 1.617 CV 1
ASSI { 885}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 24 and name HG# ))
1.800 0.400 0.400 peak 885 weight 0.10000E+01 volume 0.33003E-01 ppm1 2.782 ppm2 1.616 CV 1
ASSI { 887}
(( segid " " and resid 113 and name HB# ))
( segid " " and resid 43 and name HG# )
2.200 0.600 0.600 peak 887 weight 0.10000E+01 volume 0.94057E-02 ppm1 2.710 ppm2 1.118 CV 1
ASSI { 888}
(( segid " " and resid 62 and name HB# ))
( segid " " and resid 59 and name HG# )
3.200 1.300 1.300 peak 888 weight 0.10000E+01 volume 0.90050E-03 ppm1 3.140 ppm2 0.944 CV 1
ASSI { 890}
(( segid " " and resid 36 and name HG# ))
(( segid " " and resid 36 and name HB# ))
2.000 0.500 0.500 peak 890 weight 0.10000E+01 volume 0.15941E-01 ppm1 2.602 ppm2 1.899 CV 1
ASSI { 891}
(( segid " " and resid 108 and name HB# ))
(( segid " " and resid 8 and name HB# ))
2.200 0.600 0.600 peak 891 weight 0.10000E+01 volume 0.85844E-02 ppm1 2.223 ppm2 1.419 CV 1
ASSI { 892}
(( segid " " and resid 108 and name HB# ))
(( segid " " and resid 34 and name HB ))
2.200 0.600 0.600 peak 892 weight 0.10000E+01 volume 0.87939E-02 ppm1 2.220 ppm2 1.303 CV 1
ASSI { 896}
(( segid " " and resid 10 and name HG# ))
(( segid " " and resid 10 and name HB# ))
2.100 0.500 0.500 peak 896 weight 0.10000E+01 volume 0.12681E-01 ppm1 2.214 ppm2 1.718 CV 1
ASSI { 900}
(( segid " " and resid 85 and name HB ))
( segid " " and resid 85 and name HG# )
1.700 0.400 0.500 peak 900 weight 0.10000E+01 volume 0.37208E-01 ppm1 2.204 ppm2 0.976 CV 1
ASSI { 905}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 93 and name HB# ))
2.400 0.700 0.700 peak 905 weight 0.10000E+01 volume 0.49079E-02 ppm1 2.377 ppm2 1.394 CV 1
ASSI { 906}
(( segid " " and resid 93 and name HG# ))
( segid " " and resid 57 and name HD# )
2.800 1.000 1.000 peak 906 weight 0.10000E+01 volume 0.19336E-02 ppm1 2.379 ppm2 0.977 CV 1
ASSI { 907}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 93 and name HB# ))
2.400 0.700 0.700 peak 907 weight 0.10000E+01 volume 0.51274E-02 ppm1 2.185 ppm2 1.399 CV 1
ASSI { 909}
(( segid " " and resid 93 and name HG# ))
( segid " " and resid 57 and name HD# )
2.300 0.700 0.700 peak 909 weight 0.10000E+01 volume 0.59778E-02 ppm1 2.187 ppm2 0.975 CV 1
OR { 912}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 28 and name HG# ))
ASSI { 917}
(( segid " " and resid 6 and name HB ))
( segid " " and resid 6 and name HG# )
1.900 0.400 0.400 peak 917 weight 0.10000E+01 volume 0.22916E-01 ppm1 2.242 ppm2 1.002 CV 1
ASSI { 925}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 32 and name HB# ))
2.400 0.700 0.700 peak 925 weight 0.10000E+01 volume 0.49896E-02 ppm1 2.530 ppm2 1.856 CV 1
ASSI { 927}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HG# )
2.100 0.500 0.500 peak 927 weight 0.10000E+01 volume 0.11726E-01 ppm1 3.681 ppm2 0.857 CV 1
ASSI { 931}{calib c80+c82}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG# ))
2.600 0.800 0.800 peak 931 weight 0.10000E+01 volume 0.78597E-02 ppm1 4.234 ppm2 2.021 CV 1
ASSI { 932}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB# ))
2.100 0.500 0.500 peak 932 weight 0.10000E+01 volume 0.11450E-01 ppm1 4.235 ppm2 1.820 CV 1
ASSI { 935}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG1#))
2.200 0.600 0.600 peak 935 weight 0.10000E+01 volume 0.88449E-02 ppm1 3.765 ppm2 1.812 CV 1
ASSI { 936}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG1#))
2.000 0.500 0.500 peak 936 weight 0.10000E+01 volume 0.17004E-01 ppm1 3.765 ppm2 1.211 CV 1
ASSI { 937}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HG# )
2.000 0.500 0.500 peak 937 weight 0.10000E+01 volume 0.16966E-01 ppm1 3.765 ppm2 0.876 CV 1
ASSI { 942}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 67 and name HB# ))
1.800 0.400 0.400 peak 942 weight 0.10000E+01 volume 0.23817E-01 ppm1 4.033 ppm2 1.630 CV 1
ASSI { 944}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HG# ))
2.300 0.700 0.700 peak 944 weight 0.10000E+01 volume 0.57035E-02 ppm1 4.270 ppm2 1.904 CV 1
OR { 944}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HB# ))
ASSI { 946}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB ))
2.600 0.800 0.800 peak 946 weight 0.10000E+01 volume 0.11735E-01 ppm1 4.181 ppm2 1.747 CV 1
ASSI { 947}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HG1#))
2.400 0.700 0.700 peak 947 weight 0.10000E+01 volume 0.48106E-02 ppm1 4.184 ppm2 0.949 CV 1
ASSI { 952}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB# ))
2.500 0.800 0.800 peak 952 weight 0.10000E+01 volume 0.37125E-01 ppm1 3.398 ppm2 1.634 CV 1
ASSI { 953}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 72 and name HB# ))
2.200 0.600 0.600 peak 953 weight 0.10000E+01 volume 0.77352E-02 ppm1 3.397 ppm2 1.351 CV 1
ASSI { 954}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HG# ))
2.200 0.600 0.600 peak 954 weight 0.10000E+01 volume 0.84920E-02 ppm1 3.399 ppm2 1.164 CV 1
ASSI { 955}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 72 and name HD# )
2.300 0.700 0.700 peak 955 weight 0.10000E+01 volume 0.57149E-02 ppm1 3.398 ppm2 0.854 CV 1
ASSI { 956}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB# ))
1.800 0.400 0.400 peak 956 weight 0.10000E+01 volume 0.25353E-01 ppm1 3.885 ppm2 1.939 CV 1
ASSI { 960}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB# ))
1.800 0.400 0.400 peak 960 weight 0.10000E+01 volume 0.26763E-01 ppm1 3.184 ppm2 1.908 CV 1
ASSI { 962}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 117 and name HB# ))
2.300 0.600 0.600 peak 962 weight 0.10000E+01 volume 0.72437E-02 ppm1 3.723 ppm2 1.915 CV 1
ASSI { 964}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB# ))
1.900 0.400 0.400 peak 964 weight 0.10000E+01 volume 0.23387E-01 ppm1 4.200 ppm2 2.014 CV 1
ASSI { 967}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB# ))
1.800 0.400 0.400 peak 967 weight 0.10000E+01 volume 0.25721E-01 ppm1 3.938 ppm2 1.798 CV 1
OR { 967}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG ))
ASSI { 971}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB# ))
1.900 0.400 0.400 peak 971 weight 0.10000E+01 volume 0.20983E-01 ppm1 4.018 ppm2 1.912 CV 1
OR { 971}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HG# ))
ASSI { 972}
(( segid " " and resid 115 and name HA ))
( segid " " and resid 86 and name HD# )
2.200 0.600 0.600 peak 972 weight 0.10000E+01 volume 0.95308E-02 ppm1 3.397 ppm2 0.814 CV 1
ASSI { 973}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HG# ))
1.800 0.400 0.400 peak 973 weight 0.10000E+01 volume 0.25406E-01 ppm1 3.999 ppm2 1.613 CV 1
ASSI { 974}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB# ))
2.000 0.500 0.500 peak 974 weight 0.10000E+01 volume 0.13365E-01 ppm1 3.813 ppm2 1.229 CV 1
ASSI { 983}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 96 and name HB# ))
2.100 0.600 0.600 peak 983 weight 0.10000E+01 volume 0.10925E-01 ppm1 4.253 ppm2 1.613 CV 1
ASSI { 984}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 96 and name HD# )
1.800 0.400 0.400 peak 984 weight 0.10000E+01 volume 0.27939E-01 ppm1 4.255 ppm2 0.904 CV 1
ASSI { 989}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB# ))
1.900 0.500 0.500 peak 989 weight 0.10000E+01 volume 0.29645E-01 ppm1 4.104 ppm2 2.010 CV 1
ASSI { 991}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB# ))
2.000 0.500 0.500 peak 991 weight 0.10000E+01 volume 0.25569E-01 ppm1 4.044 ppm2 1.848 CV 1
ASSI { 992}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB# ))
2.800 1.000 1.000 peak 992 weight 0.10000E+01 volume 0.32212E-01 ppm1 4.028 ppm2 1.623 CV 1
OR { 992}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HG# ))
ASSI { 993}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 119 and name HG ))
1.900 0.500 0.500 peak 993 weight 0.10000E+01 volume 0.17901E-01 ppm1 4.076 ppm2 1.468 CV 1
OR { 993}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 119 and name HB# ))
ASSI { 995}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB# ))
2.000 0.500 0.500 peak 995 weight 0.10000E+01 volume 0.31341E-01 ppm1 3.064 ppm2 1.571 CV 1
ASSI { 996}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HG# ))
2.100 0.600 0.600 peak 996 weight 0.10000E+01 volume 0.10814E-01 ppm1 3.064 ppm2 0.859 CV 1
ASSI { 998}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 96 and name HG ))
2.400 0.700 0.700 peak 998 weight 0.10000E+01 volume 0.54975E-02 ppm1 4.351 ppm2 1.827 CV 1
ASSI { 1000}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HB# ))
1.900 0.500 0.500 peak 1000 weight 0.10000E+01 volume 0.18103E-01 ppm1 4.350 ppm2 1.393 CV 1
ASSI { 1001}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 93 and name HE# )
2.000 0.500 0.500 peak 1001 weight 0.10000E+01 volume 0.15634E-01 ppm1 4.351 ppm2 0.943 CV 1
OR { 1001}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 96 and name HD# )
ASSI { 1002}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB# ))
1.900 0.500 0.500 peak 1002 weight 0.10000E+01 volume 0.18817E-01 ppm1 4.215 ppm2 1.767 CV 1
OR { 1002}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG# ))
ASSI { 1004}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HD# )
1.900 0.500 0.500 peak 1004 weight 0.10000E+01 volume 0.18682E-01 ppm1 4.282 ppm2 0.998 CV 1
ASSI { 1005}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HG ))
2.100 0.600 0.600 peak 1005 weight 0.10000E+01 volume 0.96870E-02 ppm1 4.282 ppm2 2.031 CV 1
ASSI { 1008}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG# ))
2.600 0.900 0.900 peak 1008 weight 0.10000E+01 volume 0.21311E-01 ppm1 4.366 ppm2 1.767 CV 1
ASSI { 1010}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 17 and name HG# ))
2.300 0.600 0.600 peak 1010 weight 0.10000E+01 volume 0.70019E-02 ppm1 4.141 ppm2 1.805 CV 1
ASSI { 1012}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 53 and name HB ))
2.000 0.500 0.500 peak 1012 weight 0.10000E+01 volume 0.14608E-01 ppm1 4.003 ppm2 1.934 CV 1
ASSI { 1013}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 53 and name HB ))
2.100 0.500 0.500 peak 1013 weight 0.10000E+01 volume 0.12042E-01 ppm1 3.549 ppm2 1.949 CV 1
ASSI { 1014}
(( segid " " and resid 54 and name HD# ))
( segid " " and resid 57 and name HD# )
2.500 0.800 0.800 peak 1014 weight 0.10000E+01 volume 0.38492E-02 ppm1 4.004 ppm2 0.864 CV 1
ASSI { 1015}
(( segid " " and resid 54 and name HD# ))
( segid " " and resid 57 and name HD# )
2.100 0.600 0.600 peak 1015 weight 0.10000E+01 volume 0.11093E-01 ppm1 3.556 ppm2 0.867 CV 1
ASSI { 1020}
(( segid " " and resid 87 and name HD# ))
( segid " " and resid 85 and name HG# )
3.100 1.200 1.200 peak 1020 weight 0.10000E+01 volume 0.11376E-02 ppm1 3.953 ppm2 0.946 CV 1
ASSI { 1021}
(( segid " " and resid 32 and name HD# ))
(( segid " " and resid 32 and name HG# ))
2.400 0.700 0.700 peak 1021 weight 0.10000E+01 volume 0.52014E-02 ppm1 3.393 ppm2 1.420 CV 1
ASSI { 1023}
(( segid " " and resid 32 and name HD# ))
(( segid " " and resid 32 and name HG# ))
2.200 0.600 0.600 peak 1023 weight 0.10000E+01 volume 0.85124E-02 ppm1 3.345 ppm2 1.421 CV 1
ASSI { 1025}
(( segid " " and resid 39 and name HD# ))
(( segid " " and resid 39 and name HG# ))
2.100 0.500 0.500 peak 1025 weight 0.10000E+01 volume 0.11730E-01 ppm1 3.855 ppm2 2.013 CV 1
ASSI { 1026}
(( segid " " and resid 39 and name HD# ))
( segid " " and resid 38 and name HB% )
2.200 0.600 0.600 peak 1026 weight 0.10000E+01 volume 0.76095E-02 ppm1 3.855 ppm2 1.202 CV 1
ASSI { 1027}
(( segid " " and resid 88 and name HD# ))
(( segid " " and resid 87 and name HB# ))
2.300 0.700 0.700 peak 1027 weight 0.10000E+01 volume 0.62739E-02 ppm1 3.586 ppm2 2.025 CV 1
ASSI { 1028}
(( segid " " and resid 88 and name HD# ))
( segid " " and resid 91 and name HB% )
2.500 0.800 0.800 peak 1028 weight 0.10000E+01 volume 0.35944E-02 ppm1 3.583 ppm2 1.502 CV 1
ASSI { 1029}
(( segid " " and resid 39 and name HD# ))
(( segid " " and resid 39 and name HG# ))
1.900 0.500 0.500 peak 1029 weight 0.10000E+01 volume 0.20336E-01 ppm1 3.359 ppm2 2.012 CV 1
ASSI { 1030}
(( segid " " and resid 39 and name HD# ))
( segid " " and resid 38 and name HB% )
2.000 0.500 0.500 peak 1030 weight 0.10000E+01 volume 0.13553E-01 ppm1 3.359 ppm2 1.207 CV 1
ASSI { 1032}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 28 and name HG# ))
1.800 0.400 0.400 peak 1032 weight 0.10000E+01 volume 0.27181E-01 ppm1 3.623 ppm2 1.926 CV 1
ASSI { 1033}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 28 and name HG# ))
1.800 0.400 0.400 peak 1033 weight 0.10000E+01 volume 0.26071E-01 ppm1 3.290 ppm2 1.931 CV 1
ASSI { 1064}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB# ))
2.100 0.500 0.500 peak 1064 weight 0.10000E+01 volume 0.11998E-01 ppm1 4.033 ppm2 3.182 CV 1
ASSI { 1068}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HB# ))
2.100 0.500 0.500 peak 1068 weight 0.10000E+01 volume 0.12520E-01 ppm1 3.607 ppm2 2.946 CV 1
ASSI { 1071}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB# ))
1.900 0.400 0.400 peak 1071 weight 0.10000E+01 volume 0.22931E-01 ppm1 4.113 ppm2 2.336 CV 1
OR { 1071}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HG# ))
ASSI { 1073}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB# ))
1.900 0.400 0.400 peak 1073 weight 0.10000E+01 volume 0.20916E-01 ppm1 4.066 ppm2 2.313 CV 1
ASSI { 1083}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG# ))
2.000 0.500 0.500 peak 1083 weight 0.10000E+01 volume 0.17206E-01 ppm1 4.156 ppm2 2.291 CV 1
ASSI { 1087}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HG# ))
2.400 0.700 0.700 peak 1087 weight 0.10000E+01 volume 0.44626E-02 ppm1 4.352 ppm2 2.368 CV 1
ASSI { 1099}
(( segid " " and resid 88 and name HD# ))
(( segid " " and resid 88 and name HG# ))
1.800 0.400 0.400 peak 1099 weight 0.10000E+01 volume 0.26846E-01 ppm1 3.583 ppm2 2.188 CV 1
ASSI { 1145}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 115 and name HB# ))
2.100 0.500 0.500 peak 1145 weight 0.10000E+01 volume 0.11802E-01 ppm1 3.397 ppm2 2.476 CV 1
ASSI { 1149}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HG# ))
2.000 0.500 0.500 peak 1149 weight 0.10000E+01 volume 0.15423E-01 ppm1 4.105 ppm2 2.205 CV 1
ASSI { 1157}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 12 and name HG# ))
2.800 1.000 1.000 peak 1157 weight 0.10000E+01 volume 0.18234E-02 ppm1 4.016 ppm2 2.129 CV 1
ASSI { 1169}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB# ))
2.500 0.800 0.800 peak 1169 weight 0.10000E+01 volume 0.41666E-02 ppm1 5.129 ppm2 1.865 CV 1
ASSI { 1170}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB# ))
2.200 0.600 0.600 peak 1170 weight 0.10000E+01 volume 0.80743E-02 ppm1 5.126 ppm2 1.587 CV 1
ASSI { 1173}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG# )
2.000 0.500 0.500 peak 1173 weight 0.10000E+01 volume 0.16883E-01 ppm1 5.113 ppm2 0.614 CV 1
ASSI { 1175}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB ))
2.500 0.800 0.800 peak 1175 weight 0.10000E+01 volume 0.35274E-02 ppm1 5.201 ppm2 1.753 CV 1
ASSI { 1176}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 86 and name HG# )
2.100 0.500 0.500 peak 1176 weight 0.10000E+01 volume 0.12063E-01 ppm1 5.201 ppm2 1.160 CV 1
ASSI { 1178}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HG1#))
1.900 0.500 0.500 peak 1178 weight 0.10000E+01 volume 0.17481E-01 ppm1 5.200 ppm2 0.811 CV 1
ASSI { 1183}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB# ))
2.100 0.500 0.500 peak 1183 weight 0.10000E+01 volume 0.11476E-01 ppm1 5.113 ppm2 1.220 CV 1
OR { 1183}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG# ))
ASSI { 1187}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB# ))
2.000 0.500 0.500 peak 1187 weight 0.10000E+01 volume 0.14741E-01 ppm1 5.098 ppm2 2.656 CV 1
ASSI { 1201}
(( segid " " and resid 111 and name HA ))
( segid " " and resid 111 and name HD% )
3.200 1.300 1.300 peak 1201 weight 0.10000E+01 volume 0.23926E-02 ppm1 6.717 ppm2 6.844 CV 1
ASSI { 1205}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 81 and name HN ))
1.900 0.400 0.400 peak 1205 weight 0.10000E+01 volume 0.22213E-01 ppm1 6.016 ppm2 9.087 CV 1
ASSI { 1206}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 80 and name HD% )
1.900 0.400 0.400 peak 1206 weight 0.10000E+01 volume 0.20640E-01 ppm1 6.015 ppm2 6.807 CV 1
ASSI { 1208}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 36 and name HN ))
2.200 0.600 0.600 peak 1208 weight 0.10000E+01 volume 0.81975E-02 ppm1 6.509 ppm2 8.697 CV 1
ASSI { 1214}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 63 and name HN ))
4.400 2.400 1.600 peak 1214 weight 0.10000E+01 volume 0.13905E-03 ppm1 4.093 ppm2 9.117 CV 1
ASSI { 1221}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 63 and name HB# ))
3.000 1.100 1.100 peak 1221 weight 0.10000E+01 volume 0.13575E-02 ppm1 3.939 ppm2 3.096 CV 1
ASSI { 1226}
(( segid " " and resid 60 and name HA# ))
( segid " " and resid 59 and name HG# )
4.600 2.600 1.400 peak 1226 weight 0.10000E+01 volume 0.10426E-03 ppm1 3.936 ppm2 0.860 CV 1
ASSI { 1227}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 106 and name HZ ))
3.500 1.500 1.500 peak 1227 weight 0.10000E+01 volume 0.53661E-03 ppm1 3.092 ppm2 6.922 CV 1
ASSI { 1231}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 21 and name HN ))
2.900 1.000 1.000 peak 1231 weight 0.10000E+01 volume 0.17596E-02 ppm1 3.098 ppm2 8.669 CV 1
ASSI { 1239}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 19 and name HB# ))
5.700 4.000 0.300 peak 1239 weight 0.10000E+01 volume 0.28802E-04 ppm1 3.080 ppm2 2.375 CV 1
ASSI { 1240}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 32 and name HG# ))
4.400 2.500 1.600 peak 1240 weight 0.10000E+01 volume 0.12636E-03 ppm1 3.092 ppm2 1.421 CV 1
ASSI { 1241}
(( segid " " and resid 20 and name HA# ))
(( segid " " and resid 32 and name HG# ))
4.700 2.700 1.300 peak 1241 weight 0.10000E+01 volume 0.93632E-04 ppm1 4.075 ppm2 1.413 CV 1
ASSI { 1247}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 95 and name HN ))
3.000 1.100 1.100 peak 1247 weight 0.10000E+01 volume 0.13707E-02 ppm1 4.021 ppm2 7.986 CV 1
ASSI { 1252}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 97 and name HB# ))
2.700 0.900 0.900 peak 1252 weight 0.10000E+01 volume 0.26060E-02 ppm1 3.714 ppm2 3.302 CV 1
ASSI { 1254}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 107 and name HN ))
2.900 1.000 1.000 peak 1254 weight 0.10000E+01 volume 0.16518E-02 ppm1 2.053 ppm2 7.889 CV 1
ASSI { 1257}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 107 and name HN ))
3.300 1.400 1.400 peak 1257 weight 0.10000E+01 volume 0.70302E-03 ppm1 1.355 ppm2 7.911 CV 1
ASSI { 1260}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 97 and name HA ))
3.800 1.800 1.800 peak 1260 weight 0.10000E+01 volume 0.31858E-03 ppm1 1.370 ppm2 3.865 CV 1
ASSI { 1264}
(( segid " " and resid 107 and name HB# ))
( segid " " and resid 107 and name HD# )
2.400 0.700 0.700 peak 1264 weight 0.10000E+01 volume 0.47464E-02 ppm1 2.057 ppm2 0.882 CV 1
ASSI { 1271}
(( segid " " and resid 107 and name HB# ))
( segid " " and resid 31 and name HG# )
3.900 1.900 1.900 peak 1271 weight 0.10000E+01 volume 0.25633E-03 ppm1 2.058 ppm2 0.364 CV 1
ASSI { 1272}
(( segid " " and resid 44 and name HA# ))
(( segid " " and resid 45 and name HB# ))
3.900 1.900 1.900 peak 1272 weight 0.10000E+01 volume 0.26738E-03 ppm1 4.094 ppm2 2.545 CV 1
ASSI { 1281}
(( segid " " and resid 44 and name HA# ))
( segid " " and resid 43 and name HG# )
4.000 2.000 2.000 peak 1281 weight 0.10000E+01 volume 0.24383E-03 ppm1 3.868 ppm2 1.122 CV 1
OR { 1281}
(( segid " " and resid 44 and name HA# ))
( segid " " and resid 43 and name HD# )
ASSI { 1284}
(( segid " " and resid 44 and name HA# ))
( segid " " and resid 43 and name HG# )
4.700 2.700 1.300 peak 1284 weight 0.10000E+01 volume 0.94045E-04 ppm1 4.084 ppm2 1.109 CV 1
OR { 1284}
(( segid " " and resid 44 and name HA# ))
( segid " " and resid 43 and name HD# )
ASSI { 1290}
(( segid " " and resid 118 and name HA# ))
( segid " " and resid 41 and name HB% )
4.400 2.400 1.600 peak 1290 weight 0.10000E+01 volume 0.13668E-03 ppm1 3.575 ppm2 1.581 CV 1
ASSI { 1291}
(( segid " " and resid 118 and name HA# ))
(( segid " " and resid 40 and name HB# ))
3.700 1.800 1.800 peak 1291 weight 0.10000E+01 volume 0.34542E-03 ppm1 3.691 ppm2 1.840 CV 1
ASSI { 1293}
(( segid " " and resid 118 and name HA# ))
(( segid " " and resid 40 and name HB# ))
3.800 1.800 1.800 peak 1293 weight 0.10000E+01 volume 0.29814E-03 ppm1 3.582 ppm2 1.818 CV 1
ASSI { 1294}
(( segid " " and resid 46 and name HB# ))
( segid " " and resid 46 and name HD# )
2.000 0.500 0.500 peak 1294 weight 0.10000E+01 volume 0.16101E-01 ppm1 1.830 ppm2 0.951 CV 1
ASSI { 1295}
(( segid " " and resid 46 and name HB# ))
( segid " " and resid 70 and name HG# )
3.100 1.200 1.200 peak 1295 weight 0.10000E+01 volume 0.25112E-02 ppm1 1.833 ppm2 0.742 CV 1
ASSI { 1297}
(( segid " " and resid 78 and name HB# ))
(( segid " " and resid 67 and name HD# ))
3.800 1.900 1.900 peak 1297 weight 0.10000E+01 volume 0.29277E-03 ppm1 1.115 ppm2 2.804 CV 1
ASSI { 1298}
(( segid " " and resid 78 and name HB# ))
(( segid " " and resid 77 and name HA ))
3.800 1.800 1.800 peak 1298 weight 0.10000E+01 volume 0.31414E-03 ppm1 1.101 ppm2 4.038 CV 1
ASSI { 1300}
(( segid " " and resid 46 and name HB# ))
(( segid " " and resid 46 and name HA ))
2.500 0.800 0.800 peak 1300 weight 0.10000E+01 volume 0.39653E-02 ppm1 1.834 ppm2 4.416 CV 1
ASSI { 1301}
(( segid " " and resid 78 and name HB# ))
( segid " " and resid 63 and name HE% )
3.600 1.600 1.600 peak 1301 weight 0.10000E+01 volume 0.45257E-03 ppm1 1.116 ppm2 6.138 CV 1
ASSI { 1302}
(( segid " " and resid 78 and name HB# ))
( segid " " and resid 63 and name HD% )
3.700 1.700 1.700 peak 1302 weight 0.10000E+01 volume 0.37112E-03 ppm1 1.106 ppm2 6.295 CV 1
ASSI { 1306}
(( segid " " and resid 46 and name HB# ))
(( segid " " and resid 47 and name HN ))
3.600 1.600 1.600 peak 1306 weight 0.10000E+01 volume 0.41572E-03 ppm1 1.836 ppm2 8.683 CV 1
ASSI { 1312}
(( segid " " and resid 57 and name HB# ))
( segid " " and resid 57 and name HD# )
2.300 0.600 0.600 peak 1312 weight 0.10000E+01 volume 0.67768E-02 ppm1 1.712 ppm2 0.886 CV 1
ASSI { 1314}
(( segid " " and resid 57 and name HB# ))
( segid " " and resid 53 and name HG# )
2.100 0.500 0.500 peak 1314 weight 0.10000E+01 volume 0.11445E-01 ppm1 1.491 ppm2 0.844 CV 1
OR { 1314}
(( segid " " and resid 57 and name HB# ))
( segid " " and resid 57 and name HD# )
ASSI { 1318}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 54 and name HB# ))
2.400 0.700 0.700 peak 1318 weight 0.10000E+01 volume 0.45321E-02 ppm1 1.486 ppm2 2.002 CV 1
ASSI { 1321}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 93 and name HG# ))
2.400 0.700 0.700 peak 1321 weight 0.10000E+01 volume 0.46586E-02 ppm1 1.719 ppm2 2.194 CV 1
ASSI { 1324}
(( segid " " and resid 57 and name HB# ))
( segid " " and resid 53 and name HG# )
3.700 1.700 1.700 peak 1324 weight 0.10000E+01 volume 0.39487E-03 ppm1 1.715 ppm2 0.552 CV 1
ASSI { 1325}
(( segid " " and resid 57 and name HB# ))
( segid " " and resid 53 and name HG# )
3.900 1.900 1.900 peak 1325 weight 0.10000E+01 volume 0.27780E-03 ppm1 1.489 ppm2 0.575 CV 1
ASSI { 1331}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 58 and name HN ))
3.700 1.700 1.700 peak 1331 weight 0.10000E+01 volume 0.37082E-03 ppm1 1.713 ppm2 8.724 CV 1
ASSI { 1336}
(( segid " " and resid 81 and name HB# ))
(( segid " " and resid 81 and name HN ))
2.700 0.900 0.900 peak 1336 weight 0.10000E+01 volume 0.22541E-02 ppm1 2.665 ppm2 9.094 CV 1
ASSI { 1342}
(( segid " " and resid 81 and name HB# ))
( segid " " and resid 117 and name HD% )
3.600 1.600 1.600 peak 1342 weight 0.10000E+01 volume 0.45794E-03 ppm1 2.794 ppm2 6.608 CV 1
ASSI { 1351}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 18 and name HN ))
3.500 1.500 1.500 peak 1351 weight 0.10000E+01 volume 0.54600E-03 ppm1 3.357 ppm2 7.611 CV 1
ASSI { 1352}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 1352 weight 0.10000E+01 volume 0.98793E-03 ppm1 3.128 ppm2 7.619 CV 1
ASSI { 1359}
(( segid " " and resid 17 and name HD# ))
(( segid " " and resid 103 and name HG# ))
3.800 1.800 1.800 peak 1359 weight 0.10000E+01 volume 0.29493E-03 ppm1 3.346 ppm2 2.421 CV 1
ASSI { 1365}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HN ))
3.600 1.600 1.600 peak 1365 weight 0.10000E+01 volume 0.47446E-03 ppm1 3.295 ppm2 9.143 CV 1
ASSI { 1367}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HB# ))
2.600 0.900 0.900 peak 1367 weight 0.10000E+01 volume 0.28783E-02 ppm1 3.240 ppm2 2.114 CV 1
ASSI { 1371}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 54 and name HG# ))
3.900 1.900 1.900 peak 1371 weight 0.10000E+01 volume 0.27099E-03 ppm1 2.448 ppm2 1.922 CV 1
ASSI { 1377}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 30 and name HN ))
5.000 3.100 1.000 peak 1377 weight 0.10000E+01 volume 0.62353E-04 ppm1 2.683 ppm2 7.804 CV 1
ASSI { 1378}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 53 and name HN ))
3.400 1.500 1.500 peak 1378 weight 0.10000E+01 volume 0.58213E-03 ppm1 2.672 ppm2 8.391 CV 1
ASSI { 1379}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 53 and name HN ))
4.000 2.000 2.000 peak 1379 weight 0.10000E+01 volume 0.22236E-03 ppm1 2.449 ppm2 8.392 CV 1
ASSI { 1381}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 73 and name HN ))
2.800 1.000 1.000 peak 1381 weight 0.10000E+01 volume 0.17778E-02 ppm1 1.376 ppm2 9.119 CV 1
ASSI { 1382}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 73 and name HN ))
3.000 1.200 1.200 peak 1382 weight 0.10000E+01 volume 0.11983E-02 ppm1 1.688 ppm2 9.116 CV 1
ASSI { 1384}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 76 and name HN ))
3.700 1.700 1.700 peak 1384 weight 0.10000E+01 volume 0.35305E-03 ppm1 1.688 ppm2 7.486 CV 1
ASSI { 1388}
(( segid " " and resid 72 and name HB# ))
(( segid " " and resid 67 and name HD# ))
2.900 1.000 1.000 peak 1388 weight 0.10000E+01 volume 0.17187E-02 ppm1 1.373 ppm2 2.794 CV 1
ASSI { 1396}
(( segid " " and resid 119 and name HB# ))
( segid " " and resid 119 and name HD# )
2.500 0.800 0.800 peak 1396 weight 0.10000E+01 volume 0.41281E-02 ppm1 1.442 ppm2 0.808 CV 1
ASSI { 1401}
(( segid " " and resid 69 and name HD# ))
(( segid " " and resid 69 and name HN ))
2.900 1.100 1.100 peak 1401 weight 0.10000E+01 volume 0.15544E-02 ppm1 3.292 ppm2 7.504 CV 1
ASSI { 1403}
(( segid " " and resid 69 and name HD# ))
(( segid " " and resid 48 and name HD# ))
3.700 1.700 1.700 peak 1403 weight 0.10000E+01 volume 0.38991E-03 ppm1 3.286 ppm2 1.399 CV 1
ASSI { 1412}
(( segid " " and resid 79 and name HB# ))
( segid " " and resid 81 and name HE% )
2.800 1.000 1.000 peak 1412 weight 0.10000E+01 volume 0.21168E-02 ppm1 2.531 ppm2 7.196 CV 1
OR { 1412}
(( segid " " and resid 79 and name HB# ))
(( segid " " and resid 81 and name HZ ))
ASSI { 1415}
(( segid " " and resid 79 and name HB# ))
(( segid " " and resid 80 and name HN ))
3.200 1.300 1.300 peak 1415 weight 0.10000E+01 volume 0.90081E-03 ppm1 2.532 ppm2 7.870 CV 1
ASSI { 1444}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 95 and name HN ))
4.200 2.200 1.800 peak 1444 weight 0.10000E+01 volume 0.16992E-03 ppm1 1.644 ppm2 7.990 CV 1
ASSI { 1445}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 95 and name HN ))
4.900 3.100 1.100 peak 1445 weight 0.10000E+01 volume 0.64727E-04 ppm1 1.825 ppm2 7.989 CV 1
ASSI { 1448}
(( segid " " and resid 49 and name HE# ))
( segid " " and resid 34 and name HG# )
3.400 1.400 1.400 peak 1448 weight 0.10000E+01 volume 0.61031E-03 ppm1 3.244 ppm2 0.670 CV 1
ASSI { 1449}
(( segid " " and resid 49 and name HE# ))
( segid " " and resid 6 and name HG# )
3.200 1.300 1.300 peak 1449 weight 0.10000E+01 volume 0.91340E-03 ppm1 3.240 ppm2 1.005 CV 1
ASSI { 1450}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 49 and name HB# ))
2.800 1.000 1.000 peak 1450 weight 0.10000E+01 volume 0.19622E-02 ppm1 3.242 ppm2 2.163 CV 1
ASSI { 1451}
(( segid " " and resid 51 and name HB# ))
( segid " " and resid 35 and name HG# )
3.000 1.100 1.100 peak 1451 weight 0.10000E+01 volume 0.14167E-02 ppm1 2.656 ppm2 0.841 CV 1
ASSI { 1458}
(( segid " " and resid 51 and name HB# ))
(( segid " " and resid 51 and name HN ))
2.600 0.800 0.800 peak 1458 weight 0.10000E+01 volume 0.30762E-02 ppm1 2.654 ppm2 9.503 CV 1
ASSI { 1463}
(( segid " " and resid 52 and name HB# ))
( segid " " and resid 23 and name HD# )
4.300 2.300 1.700 peak 1463 weight 0.10000E+01 volume 0.15185E-03 ppm1 1.337 ppm2 0.900 CV 1
ASSI { 1464}
(( segid " " and resid 52 and name HB# ))
(( segid " " and resid 52 and name HG ))
2.300 0.600 0.600 peak 1464 weight 0.10000E+01 volume 0.68675E-02 ppm1 1.335 ppm2 1.079 CV 1
ASSI { 1469}
(( segid " " and resid 52 and name HB# ))
(( segid " " and resid 52 and name HN ))
3.200 1.300 1.300 peak 1469 weight 0.10000E+01 volume 0.91196E-03 ppm1 1.276 ppm2 8.600 CV 1
ASSI { 1478}
(( segid " " and resid 51 and name HB# ))
(( segid " " and resid 51 and name HN ))
3.000 1.100 1.100 peak 1478 weight 0.10000E+01 volume 0.12986E-02 ppm1 2.830 ppm2 9.507 CV 1
ASSI { 1480}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 64 and name HN ))
4.400 2.400 1.600 peak 1480 weight 0.10000E+01 volume 0.13431E-03 ppm1 1.638 ppm2 7.358 CV 1
OR { 1480}
(( segid " " and resid 65 and name HB# ))
( segid " " and resid 64 and name HD% )
ASSI { 1494}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 66 and name HG1#))
5.600 3.900 0.400 peak 1494 weight 0.10000E+01 volume 0.30350E-04 ppm1 1.820 ppm2 0.407 CV 1
ASSI { 1495}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 66 and name HG1#))
5.200 3.300 0.800 peak 1495 weight 0.10000E+01 volume 0.49758E-04 ppm1 1.626 ppm2 0.412 CV 1
ASSI { 1512}
(( segid " " and resid 80 and name HB# ))
(( segid " " and resid 81 and name HN ))
3.200 1.300 1.300 peak 1512 weight 0.10000E+01 volume 0.87624E-03 ppm1 2.818 ppm2 9.086 CV 1
ASSI { 1513}
(( segid " " and resid 37 and name HE# ))
( segid " " and resid 43 and name HD# )
2.600 0.900 0.900 peak 1513 weight 0.10000E+01 volume 0.27613E-02 ppm1 3.006 ppm2 1.107 CV 1
ASSI { 1514}
(( segid " " and resid 37 and name HE# ))
(( segid " " and resid 37 and name HG# ))
2.600 0.800 0.800 peak 1514 weight 0.10000E+01 volume 0.32246E-02 ppm1 2.998 ppm2 0.862 CV 1
ASSI { 1516}
(( segid " " and resid 37 and name HE# ))
( segid " " and resid 111 and name HE% )
3.800 1.800 1.800 peak 1516 weight 0.10000E+01 volume 0.29782E-03 ppm1 3.008 ppm2 6.638 CV 1
ASSI { 1517}
(( segid " " and resid 37 and name HE# ))
(( segid " " and resid 43 and name HN ))
3.000 1.200 1.200 peak 1517 weight 0.10000E+01 volume 0.12102E-02 ppm1 2.993 ppm2 6.934 CV 1
ASSI { 1518}
(( segid " " and resid 37 and name HE# ))
(( segid " " and resid 41 and name HN ))
3.100 1.200 1.200 peak 1518 weight 0.10000E+01 volume 0.99300E-03 ppm1 3.009 ppm2 7.460 CV 1
ASSI { 1520}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 110 and name HN ))
3.400 1.400 1.400 peak 1520 weight 0.10000E+01 volume 0.66875E-03 ppm1 1.564 ppm2 9.015 CV 1
ASSI { 1521}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 36 and name HN ))
3.800 1.800 1.800 peak 1521 weight 0.10000E+01 volume 0.31279E-03 ppm1 1.560 ppm2 8.694 CV 1
ASSI { 1523}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 108 and name HB# ))
4.900 3.000 1.100 peak 1523 weight 0.10000E+01 volume 0.67411E-04 ppm1 1.561 ppm2 2.226 CV 1
ASSI { 1524}
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 109 and name HG1#))
2.400 0.700 0.700 peak 1524 weight 0.10000E+01 volume 0.56216E-02 ppm1 1.550 ppm2 1.322 CV 1
ASSI { 1525}
(( segid " " and resid 109 and name HB ))
( segid " " and resid 33 and name HG# )
2.300 0.700 0.700 peak 1525 weight 0.10000E+01 volume 0.57298E-02 ppm1 1.550 ppm2 0.628 CV 1
ASSI { 1529}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 32 and name HB# ))
3.500 1.500 1.500 peak 1529 weight 0.10000E+01 volume 0.50048E-03 ppm1 2.772 ppm2 1.872 CV 1
ASSI { 1531}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 106 and name HZ ))
2.900 1.100 1.100 peak 1531 weight 0.10000E+01 volume 0.15441E-02 ppm1 2.764 ppm2 6.934 CV 1
ASSI { 1535}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 106 and name HN ))
2.700 0.900 0.900 peak 1535 weight 0.10000E+01 volume 0.22606E-02 ppm1 2.017 ppm2 8.712 CV 1
ASSI { 1536}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 105 and name HN ))
2.900 1.100 1.100 peak 1536 weight 0.10000E+01 volume 0.15585E-02 ppm1 2.016 ppm2 7.870 CV 1
OR { 1536}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 107 and name HN ))
ASSI { 1537}
(( segid " " and resid 106 and name HB# ))
( segid " " and resid 108 and name HD% )
4.100 2.100 1.900 peak 1537 weight 0.10000E+01 volume 0.20223E-03 ppm1 2.018 ppm2 6.327 CV 1
ASSI { 1538}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 33 and name HA ))
3.600 1.700 1.700 peak 1538 weight 0.10000E+01 volume 0.40973E-03 ppm1 2.024 ppm2 5.082 CV 1
ASSI { 1539}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 104 and name HB# ))
2.200 0.600 0.600 peak 1539 weight 0.10000E+01 volume 0.80879E-02 ppm1 2.021 ppm2 3.123 CV 1
ASSI { 1541}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 34 and name HG1#))
3.000 1.100 1.100 peak 1541 weight 0.10000E+01 volume 0.13092E-02 ppm1 2.016 ppm2 0.535 CV 1
ASSI { 1542}
(( segid " " and resid 106 and name HB# ))
(( segid " " and resid 34 and name HG1#))
3.600 1.600 1.600 peak 1542 weight 0.10000E+01 volume 0.46022E-03 ppm1 2.014 ppm2 0.091 CV 1
ASSI { 1543}
(( segid " " and resid 106 and name HB# ))
( segid " " and resid 34 and name HD# )
4.000 2.000 2.000 peak 1543 weight 0.10000E+01 volume 0.24312E-03 ppm1 2.021 ppm2 -0.546 CV 1
ASSI { 1546}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 32 and name HG# ))
2.900 1.100 1.100 peak 1546 weight 0.10000E+01 volume 0.14916E-02 ppm1 3.254 ppm2 1.449 CV 1
ASSI { 1549}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 24 and name HN ))
3.300 1.400 1.400 peak 1549 weight 0.10000E+01 volume 0.69662E-03 ppm1 3.249 ppm2 7.779 CV 1
ASSI { 1554}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 32 and name HD# ))
2.800 1.000 1.000 peak 1554 weight 0.10000E+01 volume 0.18439E-02 ppm1 2.803 ppm2 3.362 CV 1
ASSI { 1555}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 24 and name HN ))
4.800 2.900 1.200 peak 1555 weight 0.10000E+01 volume 0.74535E-04 ppm1 2.798 ppm2 7.768 CV 1
ASSI { 1557}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 7 and name HA ))
2.600 0.800 0.800 peak 1557 weight 0.10000E+01 volume 0.31791E-02 ppm1 3.511 ppm2 4.356 CV 1
ASSI { 1558}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 5 and name HB# ))
3.700 1.700 1.700 peak 1558 weight 0.10000E+01 volume 0.35409E-03 ppm1 3.505 ppm2 3.057 CV 1
ASSI { 1560}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 49 and name HD# ))
2.900 1.100 1.100 peak 1560 weight 0.10000E+01 volume 0.15686E-02 ppm1 3.515 ppm2 2.006 CV 1
ASSI { 1561}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 8 and name HN ))
2.600 0.800 0.800 peak 1561 weight 0.10000E+01 volume 0.33539E-02 ppm1 3.507 ppm2 6.926 CV 1
ASSI { 1563}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 7 and name HN ))
2.700 0.900 0.900 peak 1563 weight 0.10000E+01 volume 0.25844E-02 ppm1 3.510 ppm2 10.533 CV 1
ASSI { 1567}
(( segid " " and resid 113 and name HB# ))
( segid " " and resid 72 and name HD# )
3.500 1.600 1.600 peak 1567 weight 0.10000E+01 volume 0.49325E-03 ppm1 2.711 ppm2 0.860 CV 1
ASSI { 1573}
(( segid " " and resid 113 and name HB# ))
(( segid " " and resid 43 and name HB ))
2.600 0.800 0.800 peak 1573 weight 0.10000E+01 volume 0.33793E-02 ppm1 2.716 ppm2 2.059 CV 1
OR { 1573}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 49 and name HD# ))
ASSI { 1579}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 7 and name HD# ))
2.300 0.700 0.700 peak 1579 weight 0.10000E+01 volume 0.60473E-02 ppm1 2.718 ppm2 7.120 CV 1
ASSI { 1580}
(( segid " " and resid 113 and name HB# ))
(( segid " " and resid 43 and name HN ))
4.400 2.400 1.600 peak 1580 weight 0.10000E+01 volume 0.13048E-03 ppm1 3.084 ppm2 6.944 CV 1
ASSI { 1581}
(( segid " " and resid 113 and name HB# ))
(( segid " " and resid 114 and name HN ))
3.600 1.600 1.600 peak 1581 weight 0.10000E+01 volume 0.46114E-03 ppm1 3.093 ppm2 8.504 CV 1
ASSI { 1583}
(( segid " " and resid 113 and name HB# ))
(( segid " " and resid 113 and name HN ))
3.000 1.100 1.100 peak 1583 weight 0.10000E+01 volume 0.14408E-02 ppm1 2.717 ppm2 9.432 CV 1
ASSI { 1585}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 7 and name HN ))
2.900 1.100 1.100 peak 1585 weight 0.10000E+01 volume 0.14773E-02 ppm1 2.723 ppm2 10.538 CV 1
ASSI { 1589}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 44 and name HA# ))
3.900 1.900 1.900 peak 1589 weight 0.10000E+01 volume 0.28802E-03 ppm1 2.088 ppm2 4.077 CV 1
ASSI { 1590}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 44 and name HA# ))
3.900 1.900 1.900 peak 1590 weight 0.10000E+01 volume 0.28937E-03 ppm1 2.083 ppm2 3.880 CV 1
ASSI { 1594}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 37 and name HG# ))
3.100 1.200 1.200 peak 1594 weight 0.10000E+01 volume 0.97702E-03 ppm1 2.076 ppm2 1.637 CV 1
ASSI { 1598}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 70 and name HD# )
3.100 1.200 1.200 peak 1598 weight 0.10000E+01 volume 0.10491E-02 ppm1 2.076 ppm2 0.462 CV 1
ASSI { 1599}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 7 and name HN ))
4.100 2.100 1.900 peak 1599 weight 0.10000E+01 volume 0.20202E-03 ppm1 3.057 ppm2 10.515 CV 1
ASSI { 1603}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 1603 weight 0.10000E+01 volume 0.16753E-02 ppm1 3.052 ppm2 6.920 CV 1
ASSI { 1608}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 49 and name HD# ))
3.600 1.600 1.600 peak 1608 weight 0.10000E+01 volume 0.42057E-03 ppm1 2.630 ppm2 2.015 CV 1
ASSI { 1609}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 8 and name HB# ))
2.700 0.900 0.900 peak 1609 weight 0.10000E+01 volume 0.22838E-02 ppm1 2.629 ppm2 1.421 CV 1
ASSI { 1611}
(( segid " " and resid 5 and name HB# ))
( segid " " and resid 34 and name HG# )
4.000 2.000 2.000 peak 1611 weight 0.10000E+01 volume 0.21958E-03 ppm1 2.634 ppm2 0.657 CV 1
ASSI { 1612}
(( segid " " and resid 5 and name HB# ))
( segid " " and resid 34 and name HG# )
3.500 1.500 1.500 peak 1612 weight 0.10000E+01 volume 0.52515E-03 ppm1 3.059 ppm2 0.635 CV 1
ASSI { 1620}
(( segid " " and resid 104 and name HB# ))
( segid " " and resid 13 and name HD% )
3.400 1.500 1.500 peak 1620 weight 0.10000E+01 volume 0.58771E-03 ppm1 2.445 ppm2 7.292 CV 1
OR { 1620}
(( segid " " and resid 104 and name HB# ))
(( segid " " and resid 13 and name HZ ))
ASSI { 1626}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 57 and name HN ))
4.300 2.300 1.700 peak 1626 weight 0.10000E+01 volume 0.14586E-03 ppm1 2.693 ppm2 7.442 CV 1
ASSI { 1631}
(( segid " " and resid 47 and name HB# ))
(( segid " " and resid 47 and name HN ))
2.600 0.900 0.900 peak 1631 weight 0.10000E+01 volume 0.29938E-02 ppm1 2.805 ppm2 8.690 CV 1
ASSI { 1632}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 13 and name HN ))
3.200 1.200 1.200 peak 1632 weight 0.10000E+01 volume 0.97320E-03 ppm1 2.982 ppm2 9.356 CV 1
ASSI { 1633}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 13 and name HN ))
3.800 1.800 1.800 peak 1633 weight 0.10000E+01 volume 0.30475E-03 ppm1 3.487 ppm2 9.366 CV 1
ASSI { 1635}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 12 and name HA ))
4.800 2.900 1.200 peak 1635 weight 0.10000E+01 volume 0.75773E-04 ppm1 2.983 ppm2 4.604 CV 1
ASSI { 1644}
(( segid " " and resid 97 and name HB# ))
(( segid " " and resid 31 and name HB ))
3.000 1.100 1.100 peak 1644 weight 0.10000E+01 volume 0.13847E-02 ppm1 3.048 ppm2 1.385 CV 1
ASSI { 1659}
(( segid " " and resid 62 and name HB# ))
( segid " " and resid 80 and name HE% )
3.300 1.400 1.400 peak 1659 weight 0.10000E+01 volume 0.69538E-03 ppm1 3.264 ppm2 6.660 CV 1
ASSI { 1660}
(( segid " " and resid 62 and name HB# ))
( segid " " and resid 80 and name HE% )
3.600 1.600 1.600 peak 1660 weight 0.10000E+01 volume 0.43905E-03 ppm1 3.141 ppm2 6.652 CV 1
ASSI { 1669}
(( segid " " and resid 86 and name HB ))
( segid " " and resid 86 and name HD# )
2.100 0.600 0.600 peak 1669 weight 0.10000E+01 volume 0.99242E-02 ppm1 1.764 ppm2 0.816 CV 1
OR { 1669}
(( segid " " and resid 86 and name HB ))
(( segid " " and resid 86 and name HG1#))
ASSI { 1670}
(( segid " " and resid 86 and name HB ))
( segid " " and resid 85 and name HG# )
4.000 2.000 2.000 peak 1670 weight 0.10000E+01 volume 0.24012E-03 ppm1 1.773 ppm2 0.962 CV 1
ASSI { 1676}
(( segid " " and resid 36 and name HG# ))
( segid " " and resid 5 and name HE% )
3.600 1.600 1.600 peak 1676 weight 0.10000E+01 volume 0.44669E-03 ppm1 2.608 ppm2 7.438 CV 1
ASSI { 1677}
(( segid " " and resid 36 and name HG# ))
(( segid " " and resid 36 and name HN ))
3.300 1.300 1.300 peak 1677 weight 0.10000E+01 volume 0.75845E-03 ppm1 2.606 ppm2 8.703 CV 1
ASSI { 1678}
(( segid " " and resid 36 and name HG# ))
(( segid " " and resid 37 and name HN ))
2.800 1.000 1.000 peak 1678 weight 0.10000E+01 volume 0.20349E-02 ppm1 2.609 ppm2 8.832 CV 1
ASSI { 1679}
(( segid " " and resid 108 and name HB# ))
( segid " " and resid 5 and name HD% )
3.700 1.700 1.700 peak 1679 weight 0.10000E+01 volume 0.37928E-03 ppm1 2.212 ppm2 7.219 CV 1
OR { 1679}
(( segid " " and resid 108 and name HB# ))
(( segid " " and resid 5 and name HZ ))
ASSI { 1680}
(( segid " " and resid 108 and name HB# ))
( segid " " and resid 5 and name HE% )
4.000 2.000 2.000 peak 1680 weight 0.10000E+01 volume 0.23424E-03 ppm1 2.229 ppm2 7.392 CV 1
ASSI { 1689}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HB# ))
3.000 1.100 1.100 peak 1689 weight 0.10000E+01 volume 0.13599E-02 ppm1 3.293 ppm2 1.800 CV 1
OR { 1689}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HG ))
ASSI { 1690}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HB# ))
3.200 1.300 1.300 peak 1690 weight 0.10000E+01 volume 0.93374E-03 ppm1 3.187 ppm2 1.795 CV 1
OR { 1690}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 65 and name HG ))
ASSI { 1692}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 61 and name HB# ))
4.200 2.200 1.800 peak 1692 weight 0.10000E+01 volume 0.16744E-03 ppm1 3.193 ppm2 2.090 CV 1
ASSI { 1693}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 61 and name HB# ))
4.800 2.800 1.200 peak 1693 weight 0.10000E+01 volume 0.80728E-04 ppm1 3.289 ppm2 2.121 CV 1
ASSI { 1696}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 63 and name HN ))
3.900 1.900 1.900 peak 1696 weight 0.10000E+01 volume 0.25447E-03 ppm1 3.184 ppm2 9.113 CV 1
ASSI { 1697}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 63 and name HN ))
4.300 2.300 1.700 peak 1697 weight 0.10000E+01 volume 0.15640E-03 ppm1 3.294 ppm2 9.113 CV 1
ASSI { 1699}
(( segid " " and resid 70 and name HB ))
( segid " " and resid 72 and name HD# )
2.800 1.000 1.000 peak 1699 weight 0.10000E+01 volume 0.21535E-02 ppm1 1.747 ppm2 0.891 CV 1
ASSI { 1703}
(( segid " " and resid 70 and name HB ))
(( segid " " and resid 72 and name HN ))
3.700 1.700 1.700 peak 1703 weight 0.10000E+01 volume 0.38857E-03 ppm1 1.752 ppm2 7.814 CV 1
ASSI { 1705}
(( segid " " and resid 27 and name HB# ))
( segid " " and resid 52 and name HD# )
3.500 1.500 1.500 peak 1705 weight 0.10000E+01 volume 0.51338E-03 ppm1 2.654 ppm2 0.456 CV 1
ASSI { 1706}
(( segid " " and resid 27 and name HB# ))
( segid " " and resid 52 and name HD# )
3.000 1.200 1.200 peak 1706 weight 0.10000E+01 volume 0.12182E-02 ppm1 2.898 ppm2 0.466 CV 1
ASSI { 1711}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HG# ))
2.700 0.900 0.900 peak 1711 weight 0.10000E+01 volume 0.26084E-02 ppm1 2.899 ppm2 1.275 CV 1
ASSI { 1712}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HB# ))
2.800 1.000 1.000 peak 1712 weight 0.10000E+01 volume 0.18798E-02 ppm1 2.899 ppm2 1.136 CV 1
ASSI { 1718}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 28 and name HD# ))
4.300 2.300 1.700 peak 1718 weight 0.10000E+01 volume 0.15516E-03 ppm1 2.902 ppm2 3.624 CV 1
ASSI { 1722}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 1722 weight 0.10000E+01 volume 0.89214E-03 ppm1 2.895 ppm2 7.797 CV 1
ASSI { 1723}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HN ))
3.100 1.200 1.200 peak 1723 weight 0.10000E+01 volume 0.10645E-02 ppm1 2.652 ppm2 7.798 CV 1
ASSI { 1725}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 29 and name HN ))
4.200 2.200 1.800 peak 1725 weight 0.10000E+01 volume 0.16548E-03 ppm1 2.897 ppm2 8.547 CV 1
ASSI { 1726}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 22 and name HN ))
3.000 1.200 1.200 peak 1726 weight 0.10000E+01 volume 0.11877E-02 ppm1 1.814 ppm2 7.445 CV 1
ASSI { 1733}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 52 and name HD# )
3.900 1.900 1.900 peak 1733 weight 0.10000E+01 volume 0.25529E-03 ppm1 1.823 ppm2 0.470 CV 1
ASSI { 1735}
(( segid " " and resid 84 and name HB# ))
(( segid " " and resid 84 and name HD21))
2.700 0.900 0.900 peak 1735 weight 0.10000E+01 volume 0.25802E-02 ppm1 3.024 ppm2 7.378 CV 1
ASSI { 1742}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 66 and name HB ))
5.200 3.400 0.800 peak 1742 weight 0.10000E+01 volume 0.47590E-04 ppm1 3.105 ppm2 1.759 CV 1
ASSI { 1745}
(( segid " " and resid 63 and name HB# ))
( segid " " and resid 80 and name HE% )
4.400 2.500 1.600 peak 1745 weight 0.10000E+01 volume 0.12471E-03 ppm1 2.743 ppm2 6.650 CV 1
ASSI { 1746}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 62 and name HN ))
3.200 1.300 1.300 peak 1746 weight 0.10000E+01 volume 0.93777E-03 ppm1 3.113 ppm2 8.852 CV 1
ASSI { 1751}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 118 and name HN ))
3.100 1.200 1.200 peak 1751 weight 0.10000E+01 volume 0.10103E-02 ppm1 2.548 ppm2 7.547 CV 1
ASSI { 1754}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 116 and name HA ))
3.500 1.500 1.500 peak 1754 weight 0.10000E+01 volume 0.54167E-03 ppm1 2.548 ppm2 4.138 CV 1
ASSI { 1755}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 116 and name HA ))
4.500 2.500 1.500 peak 1755 weight 0.10000E+01 volume 0.11748E-03 ppm1 1.924 ppm2 4.133 CV 1
ASSI { 1759}
(( segid " " and resid 117 and name HB# ))
( segid " " and resid 116 and name HG# )
3.300 1.400 1.400 peak 1759 weight 0.10000E+01 volume 0.69290E-03 ppm1 2.543 ppm2 0.746 CV 1
ASSI { 1765}
(( segid " " and resid 83 and name HB# ))
( segid " " and resid 85 and name HG# )
3.200 1.200 1.200 peak 1765 weight 0.10000E+01 volume 0.97320E-03 ppm1 3.018 ppm2 0.987 CV 1
ASSI { 1766}
(( segid " " and resid 83 and name HB# ))
( segid " " and resid 85 and name HG# )
3.200 1.300 1.300 peak 1766 weight 0.10000E+01 volume 0.90896E-03 ppm1 2.697 ppm2 0.974 CV 1
ASSI { 1767}
(( segid " " and resid 83 and name HB# ))
( segid " " and resid 82 and name HG# )
3.000 1.100 1.100 peak 1767 weight 0.10000E+01 volume 0.12332E-02 ppm1 2.705 ppm2 0.640 CV 1
ASSI { 1769}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 82 and name HB ))
3.800 1.800 1.800 peak 1769 weight 0.10000E+01 volume 0.32436E-03 ppm1 2.708 ppm2 1.728 CV 1
ASSI { 1770}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 83 and name HD21))
3.400 1.400 1.400 peak 1770 weight 0.10000E+01 volume 0.61403E-03 ppm1 3.018 ppm2 7.246 CV 1
ASSI { 1775}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 83 and name HD22))
2.800 0.900 0.900 peak 1775 weight 0.10000E+01 volume 0.21730E-02 ppm1 3.017 ppm2 9.013 CV 1
ASSI { 1776}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 83 and name HN ))
3.200 1.300 1.300 peak 1776 weight 0.10000E+01 volume 0.82576E-03 ppm1 2.707 ppm2 9.836 CV 1
ASSI { 1777}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 83 and name HN ))
3.300 1.300 1.300 peak 1777 weight 0.10000E+01 volume 0.76362E-03 ppm1 3.021 ppm2 9.839 CV 1
ASSI { 1778}
(( segid " " and resid 103 and name HG# ))
(( segid " " and resid 103 and name HB# ))
2.300 0.600 0.600 peak 1778 weight 0.10000E+01 volume 0.71182E-02 ppm1 2.443 ppm2 2.192 CV 1
ASSI { 1779}
(( segid " " and resid 103 and name HG# ))
( segid " " and resid 13 and name HE% )
3.100 1.200 1.200 peak 1779 weight 0.10000E+01 volume 0.10995E-02 ppm1 2.441 ppm2 7.155 CV 1
ASSI { 1783}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 22 and name HG# ))
4.100 2.100 1.900 peak 1783 weight 0.10000E+01 volume 0.19005E-03 ppm1 2.018 ppm2 1.369 CV 1
ASSI { 1786}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 25 and name HE# ))
4.400 2.400 1.600 peak 1786 weight 0.10000E+01 volume 0.12925E-03 ppm1 1.920 ppm2 2.892 CV 1
ASSI { 1791}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 25 and name HN ))
3.100 1.400 1.400 peak 1791 weight 0.10000E+01 volume 0.11173E-02 ppm1 1.925 ppm2 7.351 CV 1
ASSI { 1792}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 25 and name HN ))
3.300 1.400 1.400 peak 1792 weight 0.10000E+01 volume 0.71086E-03 ppm1 2.028 ppm2 7.351 CV 1
ASSI { 1793}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 1793 weight 0.10000E+01 volume 0.21852E-02 ppm1 1.925 ppm2 8.668 CV 1
ASSI { 1794}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 1794 weight 0.10000E+01 volume 0.19915E-02 ppm1 2.032 ppm2 8.660 CV 1
ASSI { 1796}
(( segid " " and resid 34 and name HB ))
( segid " " and resid 34 and name HG# )
2.100 0.500 0.500 peak 1796 weight 0.10000E+01 volume 0.12163E-01 ppm1 1.273 ppm2 0.651 CV 1
ASSI { 1804}
(( segid " " and resid 10 and name HG# ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 1804 weight 0.10000E+01 volume 0.13539E-02 ppm1 2.216 ppm2 8.077 CV 1
ASSI { 1805}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 109 and name HN ))
3.400 1.500 1.500 peak 1805 weight 0.10000E+01 volume 0.57129E-03 ppm1 1.276 ppm2 9.384 CV 1
ASSI { 1806}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 35 and name HN ))
4.000 2.000 2.000 peak 1806 weight 0.10000E+01 volume 0.21979E-03 ppm1 1.270 ppm2 9.128 CV 1
ASSI { 1811}
(( segid " " and resid 10 and name HG# ))
(( segid " " and resid 10 and name HN ))
3.500 1.600 1.600 peak 1811 weight 0.10000E+01 volume 0.49108E-03 ppm1 1.881 ppm2 8.100 CV 1
ASSI { 1813}
(( segid " " and resid 14 and name HG# ))
(( segid " " and resid 14 and name HB# ))
2.100 0.500 0.500 peak 1813 weight 0.10000E+01 volume 0.12576E-01 ppm1 2.495 ppm2 2.091 CV 1
ASSI { 1814}
(( segid " " and resid 14 and name HG# ))
(( segid " " and resid 14 and name HB# ))
2.200 0.600 0.600 peak 1814 weight 0.10000E+01 volume 0.91732E-02 ppm1 2.445 ppm2 2.088 CV 1
ASSI { 1816}
(( segid " " and resid 14 and name HG# ))
(( segid " " and resid 14 and name HA ))
3.200 1.300 1.300 peak 1816 weight 0.10000E+01 volume 0.86406E-03 ppm1 2.446 ppm2 3.764 CV 1
ASSI { 1817}
(( segid " " and resid 14 and name HG# ))
( segid " " and resid 13 and name HD% )
3.300 1.300 1.300 peak 1817 weight 0.10000E+01 volume 0.76413E-03 ppm1 2.495 ppm2 7.302 CV 1
ASSI { 1818}
(( segid " " and resid 14 and name HG# ))
( segid " " and resid 13 and name HD% )
3.500 1.500 1.500 peak 1818 weight 0.10000E+01 volume 0.55250E-03 ppm1 2.450 ppm2 7.302 CV 1
ASSI { 1820}
(( segid " " and resid 14 and name HG# ))
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 1820 weight 0.10000E+01 volume 0.11184E-02 ppm1 2.444 ppm2 9.570 CV 1
ASSI { 1823}
(( segid " " and resid 19 and name HG# ))
(( segid " " and resid 19 and name HN ))
3.300 1.400 1.400 peak 1823 weight 0.10000E+01 volume 0.68258E-03 ppm1 2.471 ppm2 7.789 CV 1
ASSI { 1824}
(( segid " " and resid 114 and name HG# ))
(( segid " " and resid 114 and name HN ))
2.900 1.000 1.000 peak 1824 weight 0.10000E+01 volume 0.17345E-02 ppm1 2.313 ppm2 8.512 CV 1
ASSI { 1825}
(( segid " " and resid 114 and name HG# ))
(( segid " " and resid 114 and name HN ))
2.900 1.100 1.100 peak 1825 weight 0.10000E+01 volume 0.15489E-02 ppm1 2.216 ppm2 8.509 CV 1
ASSI { 1830}
(( segid " " and resid 114 and name HG# ))
( segid " " and resid 116 and name HG# )
3.600 1.600 1.600 peak 1830 weight 0.10000E+01 volume 0.44555E-03 ppm1 2.227 ppm2 0.762 CV 1
ASSI { 1831}
(( segid " " and resid 114 and name HG# ))
( segid " " and resid 116 and name HG# )
3.200 1.300 1.300 peak 1831 weight 0.10000E+01 volume 0.90050E-03 ppm1 2.318 ppm2 0.762 CV 1
ASSI { 1835}
(( segid " " and resid 19 and name HG# ))
(( segid " " and resid 19 and name HN ))
2.600 0.800 0.800 peak 1835 weight 0.10000E+01 volume 0.32308E-02 ppm1 2.360 ppm2 7.784 CV 1
ASSI { 1836}
(( segid " " and resid 19 and name HG# ))
(( segid " " and resid 20 and name HN ))
3.800 1.800 1.800 peak 1836 weight 0.10000E+01 volume 0.33272E-03 ppm1 2.350 ppm2 9.487 CV 1
ASSI { 1846}
(( segid " " and resid 36 and name HB# ))
( segid " " and resid 5 and name HE% )
2.800 1.000 1.000 peak 1846 weight 0.10000E+01 volume 0.19002E-02 ppm1 1.896 ppm2 7.410 CV 1
ASSI { 1848}
(( segid " " and resid 36 and name HB# ))
(( segid " " and resid 37 and name HN ))
3.000 1.100 1.100 peak 1848 weight 0.10000E+01 volume 0.12517E-02 ppm1 1.899 ppm2 8.842 CV 1
ASSI { 1853}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 93 and name HE% )
3.100 1.200 1.200 peak 1853 weight 0.10000E+01 volume 0.97894E-03 ppm1 1.742 ppm2 0.974 CV 1
ASSI { 1854}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 109 and name HG1#))
4.000 2.000 2.000 peak 1854 weight 0.10000E+01 volume 0.24765E-03 ppm1 1.748 ppm2 1.322 CV 1
ASSI { 1862}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 51 and name HN ))
3.300 1.400 1.400 peak 1862 weight 0.10000E+01 volume 0.74431E-03 ppm1 1.744 ppm2 9.502 CV 1
ASSI { 1863}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 62 and name HE% )
4.300 2.300 1.700 peak 1863 weight 0.10000E+01 volume 0.14855E-03 ppm1 1.752 ppm2 6.517 CV 1
ASSI { 1865}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 100 and name HN ))
4.600 2.700 1.400 peak 1865 weight 0.10000E+01 volume 0.99615E-04 ppm1 2.067 ppm2 8.148 CV 1
ASSI { 1866}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 100 and name HE# ))
4.300 2.300 1.700 peak 1866 weight 0.10000E+01 volume 0.15980E-03 ppm1 1.619 ppm2 7.782 CV 1
ASSI { 1867}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 100 and name HN ))
4.100 2.100 1.900 peak 1867 weight 0.10000E+01 volume 0.20006E-03 ppm1 1.619 ppm2 8.146 CV 1
ASSI { 1869}
(( segid " " and resid 99 and name HG# ))
(( segid " " and resid 99 and name HN ))
2.900 1.000 1.000 peak 1869 weight 0.10000E+01 volume 0.16512E-02 ppm1 1.610 ppm2 7.391 CV 1
ASSI { 1879}
(( segid " " and resid 85 and name HB ))
(( segid " " and resid 82 and name HN ))
3.600 1.600 1.600 peak 1879 weight 0.10000E+01 volume 0.45031E-03 ppm1 2.200 ppm2 9.346 CV 1
ASSI { 1880}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 62 and name HN ))
2.900 1.000 1.000 peak 1880 weight 0.10000E+01 volume 0.16566E-02 ppm1 2.498 ppm2 8.866 CV 1
ASSI { 1881}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 58 and name HN ))
2.900 1.100 1.100 peak 1881 weight 0.10000E+01 volume 0.15014E-02 ppm1 2.495 ppm2 8.726 CV 1
ASSI { 1882}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 61 and name HE22))
2.800 1.000 1.000 peak 1882 weight 0.10000E+01 volume 0.20527E-02 ppm1 2.497 ppm2 7.588 CV 1
ASSI { 1884}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 61 and name HE21))
3.200 1.300 1.300 peak 1884 weight 0.10000E+01 volume 0.81895E-03 ppm1 2.493 ppm2 6.868 CV 1
ASSI { 1886}
(( segid " " and resid 61 and name HG# ))
(( segid " " and resid 61 and name HB# ))
2.100 0.600 0.600 peak 1886 weight 0.10000E+01 volume 0.10542E-01 ppm1 2.495 ppm2 2.096 CV 1
ASSI { 1887}
(( segid " " and resid 61 and name HG# ))
( segid " " and resid 58 and name HG# )
3.500 1.500 1.500 peak 1887 weight 0.10000E+01 volume 0.53134E-03 ppm1 2.491 ppm2 1.271 CV 1
ASSI { 1888}
(( segid " " and resid 61 and name HG# ))
( segid " " and resid 57 and name HD# )
2.700 0.900 0.900 peak 1888 weight 0.10000E+01 volume 0.22901E-02 ppm1 2.496 ppm2 1.002 CV 1
ASSI { 1890}
(( segid " " and resid 85 and name HB ))
( segid " " and resid 82 and name HG# )
3.300 1.400 1.400 peak 1890 weight 0.10000E+01 volume 0.70436E-03 ppm1 2.204 ppm2 0.646 CV 1
ASSI { 1892}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 21 and name HB# ))
4.500 2.500 1.500 peak 1892 weight 0.10000E+01 volume 0.12161E-03 ppm1 2.949 ppm2 1.855 CV 1
ASSI { 1902}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 105 and name HN ))
3.000 1.100 1.100 peak 1902 weight 0.10000E+01 volume 0.13288E-02 ppm1 3.481 ppm2 7.870 CV 1
ASSI { 1903}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 105 and name HN ))
3.100 1.200 1.200 peak 1903 weight 0.10000E+01 volume 0.10049E-02 ppm1 2.949 ppm2 7.864 CV 1
ASSI { 1904}
(( segid " " and resid 105 and name HB# ))
( segid " " and resid 105 and name HE% )
4.100 2.100 1.900 peak 1904 weight 0.10000E+01 volume 0.19769E-03 ppm1 2.948 ppm2 7.319 CV 1
OR { 1904}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 105 and name HZ ))
ASSI { 1906}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 21 and name HN ))
3.900 1.900 1.900 peak 1906 weight 0.10000E+01 volume 0.25210E-03 ppm1 3.496 ppm2 8.664 CV 1
ASSI { 1907}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 21 and name HN ))
3.500 1.600 1.600 peak 1907 weight 0.10000E+01 volume 0.48510E-03 ppm1 2.939 ppm2 8.692 CV 1
ASSI { 1908}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 20 and name HN ))
4.700 2.700 1.300 peak 1908 weight 0.10000E+01 volume 0.94045E-04 ppm1 2.937 ppm2 9.506 CV 1
ASSI { 1912}
(( segid " " and resid 49 and name HB# ))
( segid " " and resid 34 and name HG# )
2.900 1.100 1.100 peak 1912 weight 0.10000E+01 volume 0.15860E-02 ppm1 2.144 ppm2 0.657 CV 1
ASSI { 1916}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 49 and name HG# ))
2.300 0.700 0.700 peak 1916 weight 0.10000E+01 volume 0.61717E-02 ppm1 1.951 ppm2 1.739 CV 1
ASSI { 1919}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 36 and name HG# ))
4.300 2.300 1.700 peak 1919 weight 0.10000E+01 volume 0.14515E-03 ppm1 2.162 ppm2 2.568 CV 1
ASSI { 1920}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 36 and name HG# ))
5.300 3.500 0.700 peak 1920 weight 0.10000E+01 volume 0.43668E-04 ppm1 1.940 ppm2 2.601 CV 1
ASSI { 1921}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 49 and name HE# ))
3.400 1.400 1.400 peak 1921 weight 0.10000E+01 volume 0.66100E-03 ppm1 1.956 ppm2 3.239 CV 1
ASSI { 1925}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 50 and name HN ))
4.200 2.200 1.800 peak 1925 weight 0.10000E+01 volume 0.18448E-03 ppm1 2.144 ppm2 7.006 CV 1
ASSI { 1926}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 50 and name HN ))
3.200 1.300 1.300 peak 1926 weight 0.10000E+01 volume 0.83361E-03 ppm1 1.948 ppm2 6.993 CV 1
ASSI { 1927}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 35 and name HN ))
4.300 2.300 1.700 peak 1927 weight 0.10000E+01 volume 0.14721E-03 ppm1 2.149 ppm2 9.118 CV 1
ASSI { 1929}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 65 and name HN ))
3.500 1.500 1.500 peak 1929 weight 0.10000E+01 volume 0.54518E-03 ppm1 1.790 ppm2 7.561 CV 1
ASSI { 1931}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 80 and name HE# ))
3.100 1.200 1.200 peak 1931 weight 0.10000E+01 volume 0.10971E-02 ppm1 1.781 ppm2 6.696 CV 1
ASSI { 1935}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 67 and name HB# ))
3.000 3.000 3.000 peak 1935 weight 0.10000E+01 volume 0.27651E-02 ppm1 1.785 ppm2 1.649 CV 1
ASSI { 1942}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 47 and name HN ))
4.600 2.600 1.400 peak 1942 weight 0.10000E+01 volume 0.10261E-03 ppm1 1.623 ppm2 8.687 CV 1
ASSI { 1943}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 48 and name HN ))
2.900 1.000 1.000 peak 1943 weight 0.10000E+01 volume 0.16538E-02 ppm1 1.637 ppm2 7.442 CV 1
ASSI { 1947}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 48 and name HA ))
2.800 1.000 1.000 peak 1947 weight 0.10000E+01 volume 0.18543E-02 ppm1 1.652 ppm2 4.504 CV 1
ASSI { 1948}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 69 and name HD# ))
4.100 2.100 1.900 peak 1948 weight 0.10000E+01 volume 0.21214E-03 ppm1 1.633 ppm2 3.294 CV 1
ASSI { 1952}
(( segid " " and resid 48 and name HB# ))
(( segid " " and resid 48 and name HD# ))
2.200 0.600 0.600 peak 1952 weight 0.10000E+01 volume 0.78778E-02 ppm1 1.665 ppm2 1.505 CV 1
ASSI { 1956}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 51 and name HN ))
3.300 1.300 1.300 peak 1956 weight 0.10000E+01 volume 0.78777E-03 ppm1 1.652 ppm2 9.509 CV 1
ASSI { 1959}
(( segid " " and resid 30 and name HB# ))
( segid " " and resid 52 and name HD# )
2.900 1.000 1.000 peak 1959 weight 0.10000E+01 volume 0.17602E-02 ppm1 1.139 ppm2 0.486 CV 1
ASSI { 1960}
(( segid " " and resid 30 and name HB# ))
( segid " " and resid 52 and name HD# )
3.200 1.300 1.300 peak 1960 weight 0.10000E+01 volume 0.89483E-03 ppm1 1.437 ppm2 0.479 CV 1
ASSI { 1962}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 30 and name HG# ))
2.400 0.700 0.700 peak 1962 weight 0.10000E+01 volume 0.54452E-02 ppm1 1.429 ppm2 1.291 CV 1
ASSI { 1971}
(( segid " " and resid 30 and name HB# ))
( segid " " and resid 27 and name HD% )
4.400 2.500 1.600 peak 1971 weight 0.10000E+01 volume 0.12408E-03 ppm1 1.434 ppm2 7.139 CV 1
ASSI { 1973}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 30 and name HN ))
3.600 1.700 1.700 peak 1973 weight 0.10000E+01 volume 0.40860E-03 ppm1 1.129 ppm2 7.803 CV 1
ASSI { 1974}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 53 and name HN ))
3.700 1.700 1.700 peak 1974 weight 0.10000E+01 volume 0.39559E-03 ppm1 1.144 ppm2 8.395 CV 1
ASSI { 1975}
(( segid " " and resid 30 and name HB# ))
(( segid " " and resid 53 and name HN ))
4.200 2.200 1.800 peak 1975 weight 0.10000E+01 volume 0.16775E-03 ppm1 1.432 ppm2 8.411 CV 1
ASSI { 1979}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 50 and name HG# ))
2.400 0.700 0.700 peak 1979 weight 0.10000E+01 volume 0.55364E-02 ppm1 1.240 ppm2 1.012 CV 1
ASSI { 1984}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 51 and name HN ))
3.400 1.400 1.400 peak 1984 weight 0.10000E+01 volume 0.65553E-03 ppm1 1.235 ppm2 9.504 CV 1
ASSI { 1985}
(( segid " " and resid 116 and name HB ))
( segid " " and resid 116 and name HG# )
1.900 0.400 0.400 peak 1985 weight 0.10000E+01 volume 0.20971E-01 ppm1 1.814 ppm2 0.752 CV 1
ASSI { 1986}
(( segid " " and resid 116 and name HB ))
(( segid " " and resid 119 and name HB# ))
2.600 0.800 0.800 peak 1986 weight 0.10000E+01 volume 0.32893E-02 ppm1 1.811 ppm2 1.467 CV 1
ASSI { 1987}
(( segid " " and resid 116 and name HB ))
( segid " " and resid 81 and name HE% )
4.200 2.200 1.800 peak 1987 weight 0.10000E+01 volume 0.17735E-03 ppm1 1.812 ppm2 7.195 CV 1
OR { 1987}
(( segid " " and resid 116 and name HB ))
(( segid " " and resid 81 and name HZ ))
ASSI { 1988}
(( segid " " and resid 116 and name HB ))
(( segid " " and resid 119 and name HN ))
3.900 1.900 1.900 peak 1988 weight 0.10000E+01 volume 0.25137E-03 ppm1 1.814 ppm2 7.381 CV 1
ASSI { 1990}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 36 and name HN ))
3.500 1.500 1.500 peak 1990 weight 0.10000E+01 volume 0.54486E-03 ppm1 2.051 ppm2 8.710 CV 1
ASSI { 1991}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 51 and name HD% )
3.700 1.700 1.700 peak 1991 weight 0.10000E+01 volume 0.36586E-03 ppm1 2.044 ppm2 7.063 CV 1
ASSI { 1996}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 109 and name HB ))
3.600 1.700 1.700 peak 1996 weight 0.10000E+01 volume 0.40654E-03 ppm1 2.055 ppm2 1.544 CV 1
ASSI { 1997}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG# )
1.900 0.400 0.400 peak 1997 weight 0.10000E+01 volume 0.22941E-01 ppm1 2.052 ppm2 0.874 CV 1
ASSI { 1998}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 83 and name HN ))
3.700 1.800 1.800 peak 1998 weight 0.10000E+01 volume 0.34469E-03 ppm1 1.720 ppm2 9.839 CV 1
ASSI { 2000}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 81 and name HA ))
4.900 3.000 1.100 peak 2000 weight 0.10000E+01 volume 0.70405E-04 ppm1 1.723 ppm2 5.078 CV 1
ASSI { 2002}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 87 and name HD# ))
3.500 1.500 1.500 peak 2002 weight 0.10000E+01 volume 0.54001E-03 ppm1 1.718 ppm2 3.953 CV 1
ASSI { 2006}
(( segid " " and resid 82 and name HB ))
( segid " " and resid 109 and name HD# )
3.300 1.400 1.400 peak 2006 weight 0.10000E+01 volume 0.71799E-03 ppm1 1.725 ppm2 0.301 CV 1
ASSI { 2007}
(( segid " " and resid 82 and name HB ))
( segid " " and resid 109 and name HG# )
4.600 2.700 1.400 peak 2007 weight 0.10000E+01 volume 0.95078E-04 ppm1 1.725 ppm2 0.496 CV 1
ASSI { 2008}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 94 and name HN ))
5.000 3.100 1.000 peak 2008 weight 0.10000E+01 volume 0.59875E-04 ppm1 2.505 ppm2 9.487 CV 1
ASSI { 2010}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 92 and name HN ))
3.300 1.300 1.300 peak 2010 weight 0.10000E+01 volume 0.78581E-03 ppm1 2.492 ppm2 8.187 CV 1
ASSI { 2011}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 95 and name HE22))
3.200 1.300 1.300 peak 2011 weight 0.10000E+01 volume 0.83784E-03 ppm1 2.494 ppm2 6.871 CV 1
ASSI { 2012}
(( segid " " and resid 95 and name HG# ))
(( segid " " and resid 95 and name HB# ))
2.100 0.600 0.600 peak 2012 weight 0.10000E+01 volume 0.10769E-01 ppm1 2.495 ppm2 2.142 CV 1
ASSI { 2015}
(( segid " " and resid 95 and name HG# ))
( segid " " and resid 96 and name HD# )
4.800 2.900 1.200 peak 2015 weight 0.10000E+01 volume 0.76289E-04 ppm1 2.494 ppm2 0.893 CV 1
ASSI { 2019}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HD# ))
2.500 0.800 0.800 peak 2019 weight 0.10000E+01 volume 0.37379E-02 ppm1 1.387 ppm2 3.361 CV 1
ASSI { 2020}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 55 and name HA ))
3.500 1.600 1.600 peak 2020 weight 0.10000E+01 volume 0.48819E-03 ppm1 1.396 ppm2 3.680 CV 1
ASSI { 2022}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 23 and name HN ))
4.300 2.300 1.700 peak 2022 weight 0.10000E+01 volume 0.15516E-03 ppm1 1.236 ppm2 8.310 CV 1
ASSI { 2024}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 25 and name HN ))
4.200 2.200 1.800 peak 2024 weight 0.10000E+01 volume 0.17178E-03 ppm1 1.488 ppm2 7.378 CV 1
ASSI { 2025}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 25 and name HN ))
3.600 1.600 1.600 peak 2025 weight 0.10000E+01 volume 0.45826E-03 ppm1 1.236 ppm2 7.392 CV 1
ASSI { 2030}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 26 and name HE# ))
3.600 1.600 1.600 peak 2030 weight 0.10000E+01 volume 0.41623E-03 ppm1 1.476 ppm2 2.800 CV 1
ASSI { 2031}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 22 and name HD# ))
2.600 0.900 0.900 peak 2031 weight 0.10000E+01 volume 0.28288E-02 ppm1 1.238 ppm2 1.680 CV 1
OR { 2031}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 22 and name HG# ))
ASSI { 2038}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 96 and name HB# ))
4.300 2.300 1.700 peak 2038 weight 0.10000E+01 volume 0.14494E-03 ppm1 3.078 ppm2 1.587 CV 1
ASSI { 2039}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 107 and name HB# ))
5.000 3.200 1.000 peak 2039 weight 0.10000E+01 volume 0.57398E-04 ppm1 3.092 ppm2 2.022 CV 1
ASSI { 2045}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 83 and name HD21))
3.500 1.500 1.500 peak 2045 weight 0.10000E+01 volume 0.55757E-03 ppm1 3.083 ppm2 7.236 CV 1
ASSI { 2046}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 83 and name HD21))
4.100 2.100 1.900 peak 2046 weight 0.10000E+01 volume 0.20099E-03 ppm1 2.810 ppm2 7.255 CV 1
ASSI { 2047}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 99 and name HN ))
3.200 1.300 1.300 peak 2047 weight 0.10000E+01 volume 0.86674E-03 ppm1 2.803 ppm2 7.380 CV 1
ASSI { 2048}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 101 and name HN ))
3.100 1.200 1.200 peak 2048 weight 0.10000E+01 volume 0.10133E-02 ppm1 3.082 ppm2 8.422 CV 1
ASSI { 2049}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 101 and name HN ))
3.900 1.900 1.900 peak 2049 weight 0.10000E+01 volume 0.25364E-03 ppm1 2.803 ppm2 8.427 CV 1
ASSI { 2054}
(( segid " " and resid 3 and name HB# ))
(( segid " " and resid 3 and name HG# ))
1.900 0.500 0.500 peak 2054 weight 0.10000E+01 volume 0.18598E-01 ppm1 1.870 ppm2 2.139 CV 1
ASSI { 2058}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 117 and name HE% )
6.000 5.700 0.000 peak 2058 weight 0.10000E+01 volume 0.10117E-04 ppm1 1.752 ppm2 6.589 CV 1
OR { 2058}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 117 and name HD% )
ASSI { 2059}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 117 and name HE% )
5.000 3.100 1.000 peak 2059 weight 0.10000E+01 volume 0.63695E-04 ppm1 1.878 ppm2 6.600 CV 1
OR { 2059}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 117 and name HD% )
ASSI { 2061}
(( segid " " and resid 3 and name HB# ))
( segid " " and resid 5 and name HD% )
3.400 1.500 1.500 peak 2061 weight 0.10000E+01 volume 0.57790E-03 ppm1 1.866 ppm2 7.232 CV 1
ASSI { 2064}
(( segid " " and resid 3 and name HB# ))
(( segid " " and resid 4 and name HN ))
3.900 1.900 1.900 peak 2064 weight 0.10000E+01 volume 0.27884E-03 ppm1 1.865 ppm2 8.078 CV 1
ASSI { 2068}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 4 and name HG# ))
2.400 0.700 0.700 peak 2068 weight 0.10000E+01 volume 0.48866E-02 ppm1 1.690 ppm2 1.239 CV 1
ASSI { 2069}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 4 and name HG# ))
2.100 0.600 0.600 peak 2069 weight 0.10000E+01 volume 0.10073E-01 ppm1 1.689 ppm2 1.417 CV 1
ASSI { 2073}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 99 and name HN ))
3.200 1.300 1.300 peak 2073 weight 0.10000E+01 volume 0.89266E-03 ppm1 2.593 ppm2 7.400 CV 1
ASSI { 2074}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 98 and name HE22))
4.100 2.100 1.900 peak 2074 weight 0.10000E+01 volume 0.18860E-03 ppm1 2.597 ppm2 7.601 CV 1
ASSI { 2076}
(( segid " " and resid 98 and name HG# ))
(( segid " " and resid 97 and name HN ))
5.000 3.200 1.000 peak 2076 weight 0.10000E+01 volume 0.58430E-04 ppm1 2.599 ppm2 9.035 CV 1
ASSI { 2077}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 116 and name HN ))
2.700 0.900 0.900 peak 2077 weight 0.10000E+01 volume 0.26679E-02 ppm1 2.076 ppm2 6.977 CV 1
ASSI { 2082}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 113 and name HN ))
4.200 2.200 1.800 peak 2082 weight 0.10000E+01 volume 0.16466E-03 ppm1 1.888 ppm2 9.422 CV 1
ASSI { 2083}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 112 and name HG ))
4.200 2.200 1.800 peak 2083 weight 0.10000E+01 volume 0.16435E-03 ppm1 1.871 ppm2 6.503 CV 1
ASSI { 2084}
(( segid " " and resid 114 and name HB# ))
(( segid " " and resid 112 and name HB# ))
3.300 1.400 1.400 peak 2084 weight 0.10000E+01 volume 0.67835E-03 ppm1 1.872 ppm2 4.231 CV 1
ASSI { 2089}
(( segid " " and resid 114 and name HB# ))
( segid " " and resid 116 and name HG# )
3.400 1.400 1.400 peak 2089 weight 0.10000E+01 volume 0.62405E-03 ppm1 2.078 ppm2 0.760 CV 1
ASSI { 2090}
(( segid " " and resid 114 and name HB# ))
( segid " " and resid 116 and name HG# )
3.500 1.600 1.600 peak 2090 weight 0.10000E+01 volume 0.49314E-03 ppm1 1.873 ppm2 0.761 CV 1
ASSI { 2091}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 31 and name HG# )
2.600 0.800 0.800 peak 2091 weight 0.10000E+01 volume 0.34471E-02 ppm1 1.968 ppm2 0.415 CV 1
ASSI { 2093}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 57 and name HD# )
3.100 1.200 1.200 peak 2093 weight 0.10000E+01 volume 0.11219E-02 ppm1 1.969 ppm2 0.977 CV 1
ASSI { 2094}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 57 and name HB# ))
2.500 0.800 0.800 peak 2094 weight 0.10000E+01 volume 0.37485E-02 ppm1 1.956 ppm2 1.482 CV 1
ASSI { 2097}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 57 and name HN ))
4.800 2.900 1.200 peak 2097 weight 0.10000E+01 volume 0.79283E-04 ppm1 1.971 ppm2 7.455 CV 1
ASSI { 2098}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 53 and name HN ))
2.700 0.900 0.900 peak 2098 weight 0.10000E+01 volume 0.22340E-02 ppm1 1.962 ppm2 8.404 CV 1
ASSI { 2099}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 31 and name HN ))
3.500 1.500 1.500 peak 2099 weight 0.10000E+01 volume 0.54445E-03 ppm1 1.967 ppm2 9.133 CV 1
ASSI { 2103}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 12 and name HD# ))
3.000 1.100 1.100 peak 2103 weight 0.10000E+01 volume 0.12365E-02 ppm1 2.082 ppm2 3.721 CV 1
ASSI { 2106}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 2106 weight 0.10000E+01 volume 0.44349E-03 ppm1 2.096 ppm2 9.562 CV 1
ASSI { 2107}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 13 and name HN ))
4.000 2.000 2.000 peak 2107 weight 0.10000E+01 volume 0.24218E-03 ppm1 2.593 ppm2 9.374 CV 1
ASSI { 2108}
(( segid " " and resid 12 and name HB# ))
(( segid " " and resid 14 and name HN ))
3.900 1.900 1.900 peak 2108 weight 0.10000E+01 volume 0.26304E-03 ppm1 2.596 ppm2 9.561 CV 1
ASSI { 2110}
(( segid " " and resid 37 and name HB# ))
( segid " " and resid 111 and name HD% )
5.600 3.900 0.400 peak 2110 weight 0.10000E+01 volume 0.30454E-04 ppm1 1.580 ppm2 6.823 CV 1
ASSI { 2111}
(( segid " " and resid 37 and name HB# ))
( segid " " and resid 43 and name HD# )
3.900 1.900 1.900 peak 2111 weight 0.10000E+01 volume 0.29101E-03 ppm1 1.574 ppm2 1.114 CV 1
ASSI { 2113}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 27 and name HN ))
3.800 1.800 1.800 peak 2113 weight 0.10000E+01 volume 0.33571E-03 ppm1 1.752 ppm2 8.039 CV 1
ASSI { 2115}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 25 and name HG# ))
2.000 0.500 0.500 peak 2115 weight 0.10000E+01 volume 0.15709E-01 ppm1 1.756 ppm2 1.445 CV 1
ASSI { 2117}
(( segid " " and resid 25 and name HB# ))
(( segid " " and resid 26 and name HG# ))
3.300 1.400 1.400 peak 2117 weight 0.10000E+01 volume 0.70498E-03 ppm1 1.761 ppm2 0.948 CV 1
ASSI { 2118}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 14 and name HN ))
3.900 1.900 1.900 peak 2118 weight 0.10000E+01 volume 0.28048E-03 ppm1 2.020 ppm2 9.577 CV 1
ASSI { 2119}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 2119 weight 0.10000E+01 volume 0.53315E-02 ppm1 2.015 ppm2 8.036 CV 1
ASSI { 2122}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 12 and name HD# ))
4.000 2.000 2.000 peak 2122 weight 0.10000E+01 volume 0.18340E-01 ppm1 2.018 ppm2 4.040 CV 1
ASSI { 2123}
(( segid " " and resid 15 and name HB# ))
(( segid " " and resid 12 and name HD# ))
2.500 0.800 0.800 peak 2123 weight 0.10000E+01 volume 0.36865E-02 ppm1 2.014 ppm2 3.718 CV 1
ASSI { 2128}
(( segid " " and resid 54 and name HB# ))
( segid " " and resid 57 and name HD# )
3.500 1.600 1.600 peak 2128 weight 0.10000E+01 volume 0.48159E-03 ppm1 2.547 ppm2 0.887 CV 1
ASSI { 2131}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 57 and name HB# ))
2.900 1.100 1.100 peak 2131 weight 0.10000E+01 volume 0.14687E-02 ppm1 2.556 ppm2 1.479 CV 1
ASSI { 2133}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 54 and name HD# ))
3.200 1.300 1.300 peak 2133 weight 0.10000E+01 volume 0.85373E-03 ppm1 2.554 ppm2 3.544 CV 1
ASSI { 2136}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 56 and name HN ))
2.800 1.000 1.000 peak 2136 weight 0.10000E+01 volume 0.18635E-02 ppm1 2.552 ppm2 8.268 CV 1
ASSI { 2137}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 55 and name HN ))
2.700 0.900 0.900 peak 2137 weight 0.10000E+01 volume 0.27370E-02 ppm1 2.550 ppm2 8.351 CV 1
ASSI { 2139}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 21 and name HN ))
4.600 2.600 1.400 peak 2139 weight 0.10000E+01 volume 0.10437E-03 ppm1 1.981 ppm2 8.681 CV 1
ASSI { 2140}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 21 and name HN ))
4.100 2.100 1.900 peak 2140 weight 0.10000E+01 volume 0.20812E-03 ppm1 1.929 ppm2 8.691 CV 1
ASSI { 2141}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 20 and name HN ))
4.300 2.300 1.700 peak 2141 weight 0.10000E+01 volume 0.14515E-03 ppm1 1.983 ppm2 9.537 CV 1
ASSI { 2144}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 54 and name HD# ))
2.900 1.000 1.000 peak 2144 weight 0.10000E+01 volume 0.17070E-02 ppm1 2.002 ppm2 3.996 CV 1
ASSI { 2147}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 23 and name HA ))
4.100 2.100 1.900 peak 2147 weight 0.10000E+01 volume 0.22599E-02 ppm1 2.008 ppm2 3.725 CV 1
ASSI { 2148}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 54 and name HD# ))
3.000 1.100 1.100 peak 2148 weight 0.10000E+01 volume 0.12793E-02 ppm1 2.000 ppm2 3.552 CV 1
ASSI { 2150}
(( segid " " and resid 54 and name HB# ))
(( segid " " and resid 54 and name HG# ))
2.000 0.500 0.500 peak 2150 weight 0.10000E+01 volume 0.13005E-01 ppm1 2.003 ppm2 2.242 CV 1
ASSI { 2153}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HD# ))
2.100 0.500 0.500 peak 2153 weight 0.10000E+01 volume 0.11223E-01 ppm1 1.987 ppm2 1.670 CV 1
ASSI { 2154}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HG# ))
2.400 0.700 0.700 peak 2154 weight 0.10000E+01 volume 0.49110E-02 ppm1 1.918 ppm2 1.668 CV 1
OR { 2154}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HD# ))
ASSI { 2157}
(( segid " " and resid 54 and name HB# ))
( segid " " and resid 57 and name HD# )
2.900 1.100 1.100 peak 2157 weight 0.10000E+01 volume 0.15196E-02 ppm1 2.013 ppm2 1.000 CV 1
ASSI { 2161}
(( segid " " and resid 93 and name HG# ))
( segid " " and resid 31 and name HG# )
4.100 2.100 1.900 peak 2161 weight 0.10000E+01 volume 0.19872E-03 ppm1 2.396 ppm2 0.416 CV 1
ASSI { 2165}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 57 and name HB# ))
2.500 0.800 0.800 peak 2165 weight 0.10000E+01 volume 0.35722E-02 ppm1 2.381 ppm2 1.723 CV 1
ASSI { 2168}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 93 and name HB# ))
2.200 0.600 0.600 peak 2168 weight 0.10000E+01 volume 0.87868E-02 ppm1 2.377 ppm2 1.980 CV 1
ASSI { 2170}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 62 and name HB# ))
3.600 1.600 1.600 peak 2170 weight 0.10000E+01 volume 0.45165E-03 ppm1 2.187 ppm2 3.153 CV 1
ASSI { 2171}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 62 and name HB# ))
3.800 1.800 1.800 peak 2171 weight 0.10000E+01 volume 0.32013E-03 ppm1 2.390 ppm2 3.133 CV 1
ASSI { 2172}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 59 and name HA ))
3.500 1.500 1.500 peak 2172 weight 0.10000E+01 volume 0.55818E-03 ppm1 2.380 ppm2 3.687 CV 1
ASSI { 2180}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 59 and name HN ))
4.100 2.100 1.900 peak 2180 weight 0.10000E+01 volume 0.21307E-03 ppm1 2.378 ppm2 9.096 CV 1
ASSI { 2181}
(( segid " " and resid 68 and name HB# ))
( segid " " and resid 65 and name HD# )
3.800 1.800 1.800 peak 2181 weight 0.10000E+01 volume 0.31878E-03 ppm1 1.759 ppm2 0.859 CV 1
ASSI { 2183}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 68 and name HG# ))
2.100 0.600 0.600 peak 2183 weight 0.10000E+01 volume 0.10559E-01 ppm1 1.761 ppm2 1.344 CV 1
ASSI { 2184}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 68 and name HD# ))
2.100 0.600 0.600 peak 2184 weight 0.10000E+01 volume 0.10442E-01 ppm1 1.761 ppm2 1.614 CV 1
ASSI { 2185}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 69 and name HG# ))
2.700 0.900 0.900 peak 2185 weight 0.10000E+01 volume 0.24094E-02 ppm1 1.762 ppm2 1.896 CV 1
ASSI { 2186}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 39 and name HG# ))
1.800 0.400 0.400 peak 2186 weight 0.10000E+01 volume 0.28777E-01 ppm1 1.825 ppm2 2.009 CV 1
ASSI { 2189}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 40 and name HN ))
2.900 1.000 1.000 peak 2189 weight 0.10000E+01 volume 0.17214E-02 ppm1 1.822 ppm2 8.430 CV 1
ASSI { 2190}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 67 and name HN ))
4.000 2.000 2.000 peak 2190 weight 0.10000E+01 volume 0.24590E-03 ppm1 1.756 ppm2 8.550 CV 1
ASSI { 2191}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 40 and name HE# ))
4.000 2.000 2.000 peak 2191 weight 0.10000E+01 volume 0.23114E-03 ppm1 1.836 ppm2 2.908 CV 1
ASSI { 2193}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 40 and name HN ))
3.000 1.200 1.200 peak 2193 weight 0.10000E+01 volume 0.12019E-02 ppm1 2.325 ppm2 8.436 CV 1
ASSI { 2200}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 24 and name HA ))
4.900 3.000 1.100 peak 2200 weight 0.10000E+01 volume 0.70405E-04 ppm1 2.336 ppm2 4.008 CV 1
ASSI { 2201}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 29 and name HN ))
3.400 1.400 1.400 peak 2201 weight 0.10000E+01 volume 0.66224E-03 ppm1 1.947 ppm2 8.559 CV 1
ASSI { 2202}
(( segid " " and resid 28 and name HB# ))
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 2202 weight 0.10000E+01 volume 0.13365E-02 ppm1 2.328 ppm2 8.554 CV 1
ASSI { 2204}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 88 and name HG# ))
1.900 0.400 0.400 peak 2204 weight 0.10000E+01 volume 0.21895E-01 ppm1 2.458 ppm2 2.188 CV 1
ASSI { 2207}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 88 and name HD# ))
2.800 1.000 1.000 peak 2207 weight 0.10000E+01 volume 0.20662E-02 ppm1 2.459 ppm2 3.964 CV 1
ASSI { 2211}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 90 and name HN ))
3.000 1.100 1.100 peak 2211 weight 0.10000E+01 volume 0.14085E-02 ppm1 2.050 ppm2 7.779 CV 1
ASSI { 2219}
(( segid " " and resid 87 and name HB# ))
(( segid " " and resid 88 and name HD# ))
3.700 1.700 1.700 peak 2219 weight 0.10000E+01 volume 0.35553E-03 ppm1 2.190 ppm2 3.581 CV 1
ASSI { 2221}
(( segid " " and resid 87 and name HB# ))
(( segid " " and resid 87 and name HD# ))
2.200 0.600 0.600 peak 2221 weight 0.10000E+01 volume 0.78064E-02 ppm1 2.186 ppm2 4.091 CV 1
ASSI { 2224}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 7 and name HN ))
2.800 1.000 1.000 peak 2224 weight 0.10000E+01 volume 0.18906E-02 ppm1 2.244 ppm2 10.538 CV 1
ASSI { 2228}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 60 and name HA# ))
3.900 1.900 1.900 peak 2228 weight 0.10000E+01 volume 0.26014E-03 ppm1 2.396 ppm2 4.069 CV 1
ASSI { 2230}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 49 and name HE# ))
4.800 2.900 1.200 peak 2230 weight 0.10000E+01 volume 0.76599E-04 ppm1 2.244 ppm2 3.212 CV 1
ASSI { 2231}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 36 and name HG# ))
4.300 2.300 1.700 peak 2231 weight 0.10000E+01 volume 0.14876E-03 ppm1 2.233 ppm2 2.580 CV 1
ASSI { 2238}
(( segid " " and resid 32 and name HB# ))
( segid " " and resid 106 and name HD% )
2.900 1.000 1.000 peak 2238 weight 0.10000E+01 volume 0.16508E-02 ppm1 1.871 ppm2 6.867 CV 1
ASSI { 2242}
(( segid " " and resid 40 and name HB# ))
(( segid " " and resid 40 and name HE# ))
4.500 2.600 1.500 peak 2242 weight 0.10000E+01 volume 0.10840E-03 ppm1 1.880 ppm2 2.918 CV 1
ASSI { 2250}
(( segid " " and resid 32 and name HB# ))
(( segid " " and resid 32 and name HD# ))
3.200 1.300 1.300 peak 2250 weight 0.10000E+01 volume 0.88698E-03 ppm1 1.597 ppm2 3.357 CV 1
ASSI { 2251}
(( segid " " and resid 32 and name HB# ))
(( segid " " and resid 31 and name HA ))
5.600 3.900 0.400 peak 2251 weight 0.10000E+01 volume 0.32518E-04 ppm1 1.599 ppm2 4.152 CV 1
ASSI { 2259}
(( segid " " and resid 40 and name HB# ))
(( segid " " and resid 40 and name HN ))
2.700 0.900 0.900 peak 2259 weight 0.10000E+01 volume 0.25121E-02 ppm1 1.809 ppm2 8.425 CV 1
ASSI { 2270}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 99 and name HG# ))
1.500 0.300 0.700 peak 2270 weight 0.10000E+01 volume 0.75226E-01 ppm1 1.817 ppm2 1.608 CV 1
ASSI { 2271}
(( segid " " and resid 99 and name HB# ))
( segid " " and resid 96 and name HD# )
3.400 1.400 1.400 peak 2271 weight 0.10000E+01 volume 0.61589E-03 ppm1 1.819 ppm2 0.912 CV 1
ASSI { 2273}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 100 and name HE# ))
5.000 3.100 1.000 peak 2273 weight 0.10000E+01 volume 0.64108E-04 ppm1 1.494 ppm2 7.789 CV 1
ASSI { 2274}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 100 and name HB# ))
5.400 3.600 0.600 peak 2274 weight 0.10000E+01 volume 0.39435E-04 ppm1 1.486 ppm2 2.798 CV 1
ASSI { 2276}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 76 and name HN ))
3.300 1.400 1.400 peak 2276 weight 0.10000E+01 volume 0.74731E-03 ppm1 1.669 ppm2 7.476 CV 1
ASSI { 2277}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 76 and name HN ))
3.600 1.700 1.700 peak 2277 weight 0.10000E+01 volume 0.40736E-03 ppm1 2.126 ppm2 7.472 CV 1
ASSI { 2278}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 75 and name HN ))
3.100 1.200 1.200 peak 2278 weight 0.10000E+01 volume 0.10472E-02 ppm1 2.124 ppm2 8.798 CV 1
ASSI { 2280}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 73 and name HD# ))
2.800 0.900 0.900 peak 2280 weight 0.10000E+01 volume 0.21976E-02 ppm1 1.669 ppm2 3.257 CV 1
ASSI { 2282}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 76 and name HB# ))
4.700 2.700 1.300 peak 2282 weight 0.10000E+01 volume 0.91671E-04 ppm1 2.102 ppm2 2.824 CV 1
ASSI { 2283}
(( segid " " and resid 73 and name HB# ))
(( segid " " and resid 76 and name HB# ))
4.000 2.000 2.000 peak 2283 weight 0.10000E+01 volume 0.24456E-03 ppm1 1.676 ppm2 2.745 CV 1
ASSI { 2287}
(( segid " " and resid 73 and name HB# ))
( segid " " and resid 74 and name HB% )
3.900 1.900 1.900 peak 2287 weight 0.10000E+01 volume 0.28987E-03 ppm1 2.123 ppm2 1.398 CV 1
ASSI { 2288}
(( segid " " and resid 102 and name HB# ))
(( segid " " and resid 102 and name HN ))
2.800 1.000 1.000 peak 2288 weight 0.10000E+01 volume 0.20249E-02 ppm1 2.714 ppm2 8.821 CV 1
ASSI { 2289}
(( segid " " and resid 102 and name HB# ))
(( segid " " and resid 103 and name HN ))
3.100 1.200 1.200 peak 2289 weight 0.10000E+01 volume 0.11080E-02 ppm1 2.699 ppm2 7.828 CV 1
ASSI { 2298}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 10 and name HN ))
2.900 1.100 1.100 peak 2298 weight 0.10000E+01 volume 0.14511E-02 ppm1 1.486 ppm2 8.097 CV 1
ASSI { 2299}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 10 and name HN ))
2.900 1.100 1.100 peak 2299 weight 0.10000E+01 volume 0.14451E-02 ppm1 1.717 ppm2 8.077 CV 1
ASSI { 2304}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 11 and name HN ))
4.200 2.200 1.800 peak 2304 weight 0.10000E+01 volume 0.16910E-03 ppm1 1.487 ppm2 7.137 CV 1
ASSI { 2305}
(( segid " " and resid 10 and name HB# ))
(( segid " " and resid 11 and name HN ))
4.000 2.000 2.000 peak 2305 weight 0.10000E+01 volume 0.24714E-03 ppm1 1.683 ppm2 7.138 CV 1
ASSI { 2320}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HD# ))
2.700 0.900 0.900 peak 2320 weight 0.10000E+01 volume 0.23578E-02 ppm1 1.830 ppm2 3.285 CV 1
ASSI { 2321}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HD# ))
2.700 0.900 0.900 peak 2321 weight 0.10000E+01 volume 0.25798E-02 ppm1 1.930 ppm2 3.285 CV 1
ASSI { 2322}
(( segid " " and resid 69 and name HB# ))
(( segid " " and resid 69 and name HG# ))
2.400 0.700 0.700 peak 2322 weight 0.10000E+01 volume 0.44558E-02 ppm1 1.931 ppm2 1.698 CV 1
ASSI { 2323}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 46 and name HD# )
2.400 0.700 0.700 peak 2323 weight 0.10000E+01 volume 0.44426E-02 ppm1 1.931 ppm2 0.917 CV 1
ASSI { 2324}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 46 and name HD# )
2.600 0.900 0.900 peak 2324 weight 0.10000E+01 volume 0.28132E-02 ppm1 1.829 ppm2 0.904 CV 1
ASSI { 2326}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 70 and name HG# )
3.300 1.400 1.400 peak 2326 weight 0.10000E+01 volume 0.73895E-03 ppm1 1.923 ppm2 0.745 CV 1
ASSI { 2330}
(( segid " " and resid 69 and name HB# ))
( segid " " and resid 66 and name HD# )
3.400 1.400 1.400 peak 2330 weight 0.10000E+01 volume 0.61145E-03 ppm1 1.925 ppm2 -0.116 CV 1
ASSI { 2339}
(( segid " " and resid 16 and name HG# ))
(( segid " " and resid 15 and name HB# ))
2.800 1.000 1.000 peak 2339 weight 0.10000E+01 volume 0.20401E-02 ppm1 1.427 ppm2 1.978 CV 1
ASSI { 2348}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 8 and name HN ))
3.500 1.600 1.600 peak 2348 weight 0.10000E+01 volume 0.48571E-03 ppm1 1.565 ppm2 6.910 CV 1
ASSI { 2352}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 2352 weight 0.10000E+01 volume 0.87697E-03 ppm1 2.148 ppm2 8.081 CV 1
ASSI { 2354}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 6 and name HA ))
2.600 0.800 0.800 peak 2354 weight 0.10000E+01 volume 0.34215E-02 ppm1 2.141 ppm2 3.716 CV 1
ASSI { 2355}
(( segid " " and resid 9 and name HB# ))
(( segid " " and resid 9 and name HG# ))
1.600 0.300 0.600 peak 2355 weight 0.10000E+01 volume 0.64844E-01 ppm1 2.136 ppm2 2.293 CV 1
ASSI { 2356}
(( segid " " and resid 9 and name HB# ))
( segid " " and resid 6 and name HG# )
3.700 1.800 1.800 peak 2356 weight 0.10000E+01 volume 0.34418E-03 ppm1 2.131 ppm2 1.134 CV 1
ASSI { 2357}
(( segid " " and resid 9 and name HB# ))
( segid " " and resid 6 and name HG# )
3.500 1.600 1.600 peak 2357 weight 0.10000E+01 volume 0.48478E-03 ppm1 2.137 ppm2 1.003 CV 1
ASSI { 2358}
(( segid " " and resid 49 and name HD# ))
( segid " " and resid 34 and name HD# )
4.100 2.100 1.900 peak 2358 weight 0.10000E+01 volume 0.20863E-03 ppm1 2.011 ppm2 -0.567 CV 1
ASSI { 2361}
(( segid " " and resid 49 and name HD# ))
(( segid " " and resid 49 and name HG# ))
2.000 0.500 0.500 peak 2361 weight 0.10000E+01 volume 0.15835E-01 ppm1 2.018 ppm2 1.750 CV 1
ASSI { 2365}
(( segid " " and resid 49 and name HD# ))
(( segid " " and resid 7 and name HA ))
4.000 2.000 2.000 peak 2365 weight 0.10000E+01 volume 0.24900E-03 ppm1 2.026 ppm2 4.347 CV 1
ASSI { 2366}
(( segid " " and resid 49 and name HD# ))
( segid " " and resid 7 and name HE% )
4.200 2.200 1.800 peak 2366 weight 0.10000E+01 volume 0.16620E-03 ppm1 2.024 ppm2 6.181 CV 1
ASSI { 2371}
(( segid " " and resid 21 and name HB# ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 2371 weight 0.10000E+01 volume 0.26580E-02 ppm1 1.926 ppm2 7.439 CV 1
ASSI { 2372}
(( segid " " and resid 21 and name HB# ))
(( segid " " and resid 20 and name HN ))
3.700 1.700 1.700 peak 2372 weight 0.10000E+01 volume 0.39724E-03 ppm1 1.908 ppm2 9.514 CV 1
ASSI { 2373}
(( segid " " and resid 21 and name HB# ))
(( segid " " and resid 23 and name HN ))
4.100 2.100 1.900 peak 2373 weight 0.10000E+01 volume 0.21493E-03 ppm1 1.904 ppm2 8.306 CV 1
ASSI { 2374}
(( segid " " and resid 21 and name HB# ))
(( segid " " and resid 22 and name HN ))
3.000 1.100 1.100 peak 2374 weight 0.10000E+01 volume 0.12547E-02 ppm1 1.874 ppm2 7.459 CV 1
ASSI { 2375}
(( segid " " and resid 21 and name HB# ))
(( segid " " and resid 21 and name HN ))
2.300 0.700 0.700 peak 2375 weight 0.10000E+01 volume 0.66946E-02 ppm1 1.919 ppm2 8.661 CV 1
ASSI { 2379}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HG# ))
2.500 0.800 0.800 peak 2379 weight 0.10000E+01 volume 0.40557E-02 ppm1 1.532 ppm2 1.008 CV 1
ASSI { 2381}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HG# ))
2.200 0.600 0.600 peak 2381 weight 0.10000E+01 volume 0.86787E-02 ppm1 1.609 ppm2 1.201 CV 1
OR { 2381}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 50 and name HB# ))
ASSI { 2384}
(( segid " " and resid 50 and name HD# ))
( segid " " and resid 7 and name HE% )
3.900 1.900 1.900 peak 2384 weight 0.10000E+01 volume 0.27739E-03 ppm1 1.613 ppm2 6.174 CV 1
ASSI { 2385}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 106 and name HZ ))
3.400 1.400 1.400 peak 2385 weight 0.10000E+01 volume 0.61196E-03 ppm1 1.608 ppm2 6.925 CV 1
ASSI { 2393}
(( segid " " and resid 23 and name HG1#))
(( segid " " and resid 24 and name HN ))
4.200 2.200 1.800 peak 2393 weight 0.10000E+01 volume 0.18117E-03 ppm1 1.197 ppm2 7.774 CV 1
ASSI { 2400}
(( segid " " and resid 23 and name HG1#))
( segid " " and resid 52 and name HD# )
3.000 1.100 1.100 peak 2400 weight 0.10000E+01 volume 0.12551E-02 ppm1 1.815 ppm2 0.461 CV 1
ASSI { 2404}
(( segid " " and resid 67 and name HG# ))
(( segid " " and resid 67 and name HD# ))
2.600 0.800 0.800 peak 2404 weight 0.10000E+01 volume 0.34003E-02 ppm1 1.566 ppm2 2.798 CV 1
ASSI { 2409}
(( segid " " and resid 26 and name HD# ))
(( segid " " and resid 26 and name HG# ))
2.300 0.700 0.700 peak 2409 weight 0.10000E+01 volume 0.60922E-02 ppm1 1.405 ppm2 0.936 CV 1
ASSI { 2410}
(( segid " " and resid 48 and name HD# ))
(( segid " " and resid 48 and name HG# ))
2.300 0.700 0.700 peak 2410 weight 0.10000E+01 volume 0.61300E-02 ppm1 1.397 ppm2 1.160 CV 1
ASSI { 2411}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 37 and name HG# ))
1.400 0.200 0.800 peak 2411 weight 0.10000E+01 volume 0.14850E+00 ppm1 1.495 ppm2 1.649 CV 1
ASSI { 2413}
(( segid " " and resid 48 and name HD# ))
(( segid " " and resid 48 and name HE# ))
2.400 0.700 0.700 peak 2413 weight 0.10000E+01 volume 0.48745E-02 ppm1 1.500 ppm2 2.687 CV 1
ASSI { 2416}
(( segid " " and resid 48 and name HD# ))
( segid " " and resid 51 and name HE% )
3.900 1.900 1.900 peak 2416 weight 0.10000E+01 volume 0.26882E-03 ppm1 1.383 ppm2 6.610 CV 1
ASSI { 2419}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 37 and name HN ))
3.400 1.400 1.400 peak 2419 weight 0.10000E+01 volume 0.64541E-03 ppm1 1.490 ppm2 8.870 CV 1
ASSI { 2428}
(( segid " " and resid 22 and name HD# ))
(( segid " " and resid 23 and name HN ))
4.700 2.800 1.300 peak 2428 weight 0.10000E+01 volume 0.88471E-04 ppm1 1.661 ppm2 8.295 CV 1
OR { 2428}
(( segid " " and resid 22 and name HD# ))
(( segid " " and resid 23 and name HN ))
ASSI { 2429}
(( segid " " and resid 22 and name HD# ))
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 2429 weight 0.10000E+01 volume 0.10294E-02 ppm1 1.690 ppm2 7.442 CV 1
ASSI { 2433}
(( segid " " and resid 22 and name HD# ))
(( segid " " and resid 22 and name HG# ))
2.100 0.500 0.500 peak 2433 weight 0.10000E+01 volume 0.11966E-01 ppm1 1.681 ppm2 1.360 CV 1
ASSI { 2434}
(( segid " " and resid 22 and name HD# ))
( segid " " and resid 23 and name HD# )
2.400 0.700 0.700 peak 2434 weight 0.10000E+01 volume 0.49610E-02 ppm1 1.665 ppm2 0.861 CV 1
ASSI { 2441}
(( segid " " and resid 103 and name HB# ))
(( segid " " and resid 13 and name HZ ))
2.400 0.700 0.700 peak 2441 weight 0.10000E+01 volume 0.44316E-02 ppm1 2.189 ppm2 7.291 CV 1
ASSI { 2442}
(( segid " " and resid 103 and name HB# ))
(( segid " " and resid 103 and name HN ))
3.900 1.900 1.900 peak 2442 weight 0.10000E+01 volume 0.28689E-03 ppm1 2.187 ppm2 7.828 CV 1
ASSI { 2443}
(( segid " " and resid 42 and name HB# ))
(( segid " " and resid 42 and name HG# ))
2.200 0.600 0.600 peak 2443 weight 0.10000E+01 volume 0.83845E-02 ppm1 2.010 ppm2 1.708 CV 1
ASSI { 2453}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 37 and name HG# ))
2.400 0.700 0.700 peak 2453 weight 0.10000E+01 volume 0.51762E-02 ppm1 1.492 ppm2 0.848 CV 1
ASSI { 2461}
(( segid " " and resid 17 and name HB# ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 2461 weight 0.10000E+01 volume 0.12903E-02 ppm1 1.456 ppm2 8.861 CV 1
ASSI { 2463}
(( segid " " and resid 48 and name HD# ))
(( segid " " and resid 48 and name HB# ))
2.600 0.900 0.900 peak 2463 weight 0.10000E+01 volume 0.27761E-02 ppm1 1.412 ppm2 1.652 CV 1
ASSI { 2465}
(( segid " " and resid 17 and name HB# ))
(( segid " " and resid 17 and name HG# ))
2.600 0.800 0.800 peak 2465 weight 0.10000E+01 volume 0.30592E-02 ppm1 0.900 ppm2 1.793 CV 1
ASSI { 2467}
(( segid " " and resid 17 and name HB# ))
(( segid " " and resid 104 and name HB# ))
4.200 2.200 1.800 peak 2467 weight 0.10000E+01 volume 0.16930E-03 ppm1 0.914 ppm2 2.411 CV 1
ASSI { 2473}
(( segid " " and resid 17 and name HB# ))
( segid " " and resid 13 and name HD% )
4.000 2.000 2.000 peak 2473 weight 0.10000E+01 volume 0.24952E-03 ppm1 0.901 ppm2 7.309 CV 1
ASSI { 2476}
(( segid " " and resid 17 and name HB# ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 2476 weight 0.10000E+01 volume 0.87676E-03 ppm1 0.907 ppm2 8.869 CV 1
ASSI { 2477}
(( segid " " and resid 68 and name HD# ))
(( segid " " and resid 69 and name HN ))
3.200 1.300 1.300 peak 2477 weight 0.10000E+01 volume 0.83526E-03 ppm1 1.587 ppm2 7.519 CV 1
ASSI { 2478}
(( segid " " and resid 75 and name HB# ))
(( segid " " and resid 76 and name HN ))
3.800 1.800 1.800 peak 2478 weight 0.10000E+01 volume 0.30702E-03 ppm1 2.048 ppm2 7.475 CV 1
ASSI { 2480}
(( segid " " and resid 75 and name HB# ))
( segid " " and resid 74 and name HB% )
2.900 1.100 1.100 peak 2480 weight 0.10000E+01 volume 0.15871E-02 ppm1 1.988 ppm2 1.392 CV 1
ASSI { 2481}
(( segid " " and resid 75 and name HB# ))
(( segid " " and resid 75 and name HG# ))
1.800 0.400 0.400 peak 2481 weight 0.10000E+01 volume 0.26241E-01 ppm1 1.977 ppm2 2.212 CV 1
ASSI { 2482}
(( segid " " and resid 75 and name HB# ))
(( segid " " and resid 75 and name HG# ))
1.800 0.400 0.400 peak 2482 weight 0.10000E+01 volume 0.32862E-01 ppm1 2.041 ppm2 2.207 CV 1
ASSI { 2486}
(( segid " " and resid 61 and name HB# ))
(( segid " " and resid 58 and name HN ))
2.900 1.100 1.100 peak 2486 weight 0.10000E+01 volume 0.14489E-02 ppm1 2.107 ppm2 8.711 CV 1
ASSI { 2487}
(( segid " " and resid 61 and name HB# ))
(( segid " " and resid 62 and name HN ))
2.600 0.900 0.900 peak 2487 weight 0.10000E+01 volume 0.30049E-02 ppm1 2.094 ppm2 8.857 CV 1
ASSI { 2488}
(( segid " " and resid 61 and name HB# ))
(( segid " " and resid 61 and name HN ))
2.700 0.900 0.900 peak 2488 weight 0.10000E+01 volume 0.22516E-02 ppm1 2.105 ppm2 8.110 CV 1
ASSI { 2489}
(( segid " " and resid 61 and name HB# ))
(( segid " " and resid 64 and name HN ))
5.000 3.200 1.000 peak 2489 weight 0.10000E+01 volume 0.58017E-04 ppm1 2.556 ppm2 7.365 CV 1
OR { 2489}
(( segid " " and resid 61 and name HB# ))
( segid " " and resid 64 and name HD% )
ASSI { 2493}
(( segid " " and resid 61 and name HB# ))
( segid " " and resid 57 and name HD# )
2.500 0.800 0.800 peak 2493 weight 0.10000E+01 volume 0.40011E-02 ppm1 2.105 ppm2 1.001 CV 1
ASSI { 2496}
(( segid " " and resid 14 and name HB# ))
(( segid " " and resid 15 and name HN ))
2.800 1.000 1.000 peak 2496 weight 0.10000E+01 volume 0.18640E-02 ppm1 2.096 ppm2 7.115 CV 1
ASSI { 2513}
(( segid " " and resid 93 and name HB# ))
(( segid " " and resid 94 and name HN ))
2.600 0.800 0.800 peak 2513 weight 0.10000E+01 volume 0.32541E-02 ppm1 1.977 ppm2 9.463 CV 1
ASSI { 2515}
(( segid " " and resid 93 and name HB# ))
(( segid " " and resid 94 and name HN ))
2.700 0.900 0.900 peak 2515 weight 0.10000E+01 volume 0.24976E-02 ppm1 1.394 ppm2 9.472 CV 1
ASSI { 2516}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 97 and name HN ))
3.800 1.800 1.800 peak 2516 weight 0.10000E+01 volume 0.29762E-03 ppm1 2.336 ppm2 9.018 CV 1
ASSI { 2517}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 97 and name HN ))
4.700 2.700 1.300 peak 2517 weight 0.10000E+01 volume 0.90741E-04 ppm1 2.276 ppm2 9.019 CV 1
ASSI { 2518}
(( segid " " and resid 98 and name HB# ))
( segid " " and resid 97 and name HD% )
3.800 1.800 1.800 peak 2518 weight 0.10000E+01 volume 0.33737E-03 ppm1 2.323 ppm2 6.957 CV 1
ASSI { 2519}
(( segid " " and resid 98 and name HB# ))
( segid " " and resid 97 and name HD% )
3.600 1.600 1.600 peak 2519 weight 0.10000E+01 volume 0.42108E-03 ppm1 2.283 ppm2 6.954 CV 1
ASSI { 2520}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 98 and name HG# ))
2.200 0.600 0.600 peak 2520 weight 0.10000E+01 volume 0.85998E-02 ppm1 2.335 ppm2 2.587 CV 1
ASSI { 2521}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 98 and name HG# ))
2.300 0.700 0.700 peak 2521 weight 0.10000E+01 volume 0.67116E-02 ppm1 2.282 ppm2 2.586 CV 1
ASSI { 2522}
(( segid " " and resid 69 and name HG# ))
( segid " " and resid 66 and name HD# )
4.100 2.100 1.900 peak 2522 weight 0.10000E+01 volume 0.20409E-03 ppm1 1.894 ppm2 -0.124 CV 1
ASSI { 2524}
(( segid " " and resid 54 and name HG# ))
( segid " " and resid 57 and name HD# )
3.200 1.300 1.300 peak 2524 weight 0.10000E+01 volume 0.80811E-03 ppm1 2.239 ppm2 1.003 CV 1
ASSI { 2525}
(( segid " " and resid 54 and name HG# ))
( segid " " and resid 57 and name HD# )
4.500 2.500 1.500 peak 2525 weight 0.10000E+01 volume 0.11614E-03 ppm1 2.244 ppm2 0.872 CV 1
ASSI { 2530}
(( segid " " and resid 54 and name HG# ))
(( segid " " and resid 54 and name HD# ))
3.100 1.200 1.200 peak 2530 weight 0.10000E+01 volume 0.97884E-03 ppm1 1.913 ppm2 3.560 CV 1
ASSI { 2538}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 25 and name HN ))
3.300 1.400 1.400 peak 2538 weight 0.10000E+01 volume 0.75153E-03 ppm1 1.634 ppm2 7.388 CV 1
ASSI { 2545}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 25 and name HN ))
3.400 1.400 1.400 peak 2545 weight 0.10000E+01 volume 0.63210E-03 ppm1 1.699 ppm2 7.377 CV 1
ASSI { 2546}
(( segid " " and resid 24 and name HB# ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 2546 weight 0.10000E+01 volume 0.35976E-02 ppm1 1.686 ppm2 7.768 CV 1
ASSI { 2547}
(( segid " " and resid 95 and name HB# ))
( segid " " and resid 96 and name HD# )
3.400 1.500 1.500 peak 2547 weight 0.10000E+01 volume 0.57408E-03 ppm1 2.395 ppm2 0.927 CV 1
ASSI { 2548}
(( segid " " and resid 95 and name HB# ))
( segid " " and resid 96 and name HD# )
3.800 1.800 1.800 peak 2548 weight 0.10000E+01 volume 0.33664E-03 ppm1 2.136 ppm2 0.909 CV 1
ASSI { 2549}
(( segid " " and resid 95 and name HB# ))
( segid " " and resid 92 and name HG# )
4.200 2.200 1.800 peak 2549 weight 0.10000E+01 volume 0.17271E-03 ppm1 2.387 ppm2 1.239 CV 1
ASSI { 2550}
(( segid " " and resid 95 and name HB# ))
( segid " " and resid 92 and name HG# )
4.300 2.300 1.700 peak 2550 weight 0.10000E+01 volume 0.14948E-03 ppm1 2.145 ppm2 1.238 CV 1
ASSI { 2555}
(( segid " " and resid 39 and name HG# ))
( segid " " and resid 119 and name HD# )
3.900 1.900 1.900 peak 2555 weight 0.10000E+01 volume 0.28121E-03 ppm1 1.995 ppm2 0.785 CV 1
ASSI { 2558}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 4 and name HB# ))
2.700 0.900 0.900 peak 2558 weight 0.10000E+01 volume 0.25962E-02 ppm1 2.027 ppm2 1.668 CV 1
ASSI { 2565}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 119 and name HA ))
3.100 1.200 1.200 peak 2565 weight 0.10000E+01 volume 0.10622E-02 ppm1 2.036 ppm2 4.074 CV 1
ASSI { 2570}
(( segid " " and resid 39 and name HG# ))
( segid " " and resid 117 and name HD% )
4.600 2.600 1.400 peak 2570 weight 0.10000E+01 volume 0.10148E-03 ppm1 1.982 ppm2 6.627 CV 1
ASSI { 2571}
(( segid " " and resid 39 and name HG# ))
(( segid " " and resid 40 and name HN ))
3.400 1.500 1.500 peak 2571 weight 0.10000E+01 volume 0.60278E-03 ppm1 2.033 ppm2 8.430 CV 1
ASSI { 2573}
(( segid " " and resid 12 and name HG# ))
(( segid " " and resid 15 and name HD# ))
2.600 0.800 0.800 peak 2573 weight 0.10000E+01 volume 0.33571E-02 ppm1 2.169 ppm2 1.771 CV 1
ASSI { 2575}
(( segid " " and resid 12 and name HG# ))
(( segid " " and resid 12 and name HD# ))
2.100 0.600 0.600 peak 2575 weight 0.10000E+01 volume 0.10981E-01 ppm1 2.159 ppm2 3.718 CV 1
ASSI { 2583}
(( segid " " and resid 88 and name HG# ))
(( segid " " and resid 88 and name HD# ))
2.100 0.600 0.600 peak 2583 weight 0.10000E+01 volume 0.11046E-01 ppm1 2.190 ppm2 3.582 CV 1
ASSI { 2584}
(( segid " " and resid 88 and name HG# ))
(( segid " " and resid 91 and name HN ))
2.800 1.000 1.000 peak 2584 weight 0.10000E+01 volume 0.20008E-02 ppm1 2.190 ppm2 7.285 CV 1
ASSI { 2586}
(( segid " " and resid 12 and name HG# ))
(( segid " " and resid 14 and name HN ))
5.000 3.200 1.000 peak 2586 weight 0.10000E+01 volume 0.58946E-04 ppm1 2.177 ppm2 9.547 CV 1
ASSI { 2588}
(( segid " " and resid 86 and name HG1#))
( segid " " and resid 85 and name HG# )
3.700 1.800 1.800 peak 2588 weight 0.10000E+01 volume 0.34603E-03 ppm1 1.537 ppm2 0.959 CV 1
ASSI { 2591}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 86 and name HB ))
2.100 0.600 0.600 peak 2591 weight 0.10000E+01 volume 0.11172E-01 ppm1 1.535 ppm2 1.759 CV 1
ASSI { 2593}
(( segid " " and resid 86 and name HG1#))
( segid " " and resid 81 and name HE% )
2.900 1.000 1.000 peak 2593 weight 0.10000E+01 volume 0.16092E-02 ppm1 1.538 ppm2 7.192 CV 1
ASSI { 2596}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 87 and name HD# ))
4.700 2.700 1.300 peak 2596 weight 0.10000E+01 volume 0.93426E-04 ppm1 1.555 ppm2 4.094 CV 1
ASSI { 2597}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 30 and name HB# ))
2.000 0.500 0.500 peak 2597 weight 0.10000E+01 volume 0.13488E-01 ppm1 1.439 ppm2 1.132 CV 1
ASSI { 2606}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 2606 weight 0.10000E+01 volume 0.18947E-02 ppm1 1.433 ppm2 7.801 CV 1
ASSI { 2607}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 2607 weight 0.10000E+01 volume 0.20758E-02 ppm1 1.306 ppm2 7.799 CV 1
ASSI { 2609}
(( segid " " and resid 30 and name HG# ))
(( segid " " and resid 31 and name HN ))
3.300 1.400 1.400 peak 2609 weight 0.10000E+01 volume 0.74339E-03 ppm1 1.433 ppm2 9.138 CV 1
ASSI { 2610}
(( segid " " and resid 109 and name HG1#))
(( segid " " and resid 35 and name HN ))
3.400 1.500 1.500 peak 2610 weight 0.10000E+01 volume 0.59979E-03 ppm1 1.311 ppm2 9.111 CV 1
ASSI { 2611}
(( segid " " and resid 42 and name HG# ))
(( segid " " and resid 42 and name HB# ))
1.700 0.400 0.500 peak 2611 weight 0.10000E+01 volume 0.40883E-01 ppm1 1.691 ppm2 1.889 CV 1
ASSI { 2618}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HN ))
3.000 1.100 1.100 peak 2618 weight 0.10000E+01 volume 0.13445E-02 ppm1 0.447 ppm2 6.961 CV 1
ASSI { 2625}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 66 and name HB ))
2.600 0.800 0.800 peak 2625 weight 0.10000E+01 volume 0.33447E-02 ppm1 0.456 ppm2 1.773 CV 1
ASSI { 2627}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HG ))
1.700 0.400 0.500 peak 2627 weight 0.10000E+01 volume 0.41146E-01 ppm1 0.451 ppm2 1.099 CV 1
OR { 2627}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HB# ))
ASSI { 2629}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 66 and name HG1#))
4.700 2.700 1.300 peak 2629 weight 0.10000E+01 volume 0.89813E-04 ppm1 0.452 ppm2 0.683 CV 1
ASSI { 2630}
( segid " " and resid 78 and name HD# )
( segid " " and resid 66 and name HG# )
3.200 1.300 1.300 peak 2630 weight 0.10000E+01 volume 0.86995E-03 ppm1 0.452 ppm2 0.339 CV 1
ASSI { 2639}
(( segid " " and resid 86 and name HG1#))
( segid " " and resid 81 and name HE% )
3.300 1.400 1.400 peak 2639 weight 0.10000E+01 volume 0.73068E-03 ppm1 0.793 ppm2 7.188 CV 1
OR { 2639}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 81 and name HZ ))
ASSI { 2640}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 86 and name HN ))
3.200 1.200 1.200 peak 2640 weight 0.10000E+01 volume 0.95521E-03 ppm1 0.820 ppm2 8.496 CV 1
ASSI { 2641}
(( segid " " and resid 109 and name HG1#))
(( segid " " and resid 110 and name HN ))
4.300 2.400 1.700 peak 2641 weight 0.10000E+01 volume 0.14256E-03 ppm1 0.812 ppm2 8.997 CV 1
ASSI { 2646}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 70 and name HB ))
2.100 0.600 0.600 peak 2646 weight 0.10000E+01 volume 0.11173E-01 ppm1 1.331 ppm2 1.734 CV 1
ASSI { 2647}
(( segid " " and resid 43 and name HG1#))
(( segid " " and resid 43 and name HB ))
2.500 0.800 0.800 peak 2647 weight 0.10000E+01 volume 0.40621E-02 ppm1 1.436 ppm2 2.052 CV 1
ASSI { 2651}
(( segid " " and resid 109 and name HG1#))
(( segid " " and resid 109 and name HN ))
2.900 1.000 1.000 peak 2651 weight 0.10000E+01 volume 0.16805E-02 ppm1 1.326 ppm2 9.371 CV 1
ASSI { 2654}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 28 and name HD# ))
2.300 0.700 0.700 peak 2654 weight 0.10000E+01 volume 0.66569E-02 ppm1 1.947 ppm2 3.621 CV 1
ASSI { 2658}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 29 and name HN ))
3.400 1.400 1.400 peak 2658 weight 0.10000E+01 volume 0.63282E-03 ppm1 1.946 ppm2 8.560 CV 1
ASSI { 2659}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 29 and name HN ))
3.500 1.500 1.500 peak 2659 weight 0.10000E+01 volume 0.52629E-03 ppm1 1.898 ppm2 8.567 CV 1
ASSI { 2660}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 27 and name HA ))
4.800 2.900 1.200 peak 2660 weight 0.10000E+01 volume 0.79283E-04 ppm1 1.898 ppm2 5.100 CV 1
ASSI { 2662}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 25 and name HA ))
4.600 2.700 1.400 peak 2662 weight 0.10000E+01 volume 0.97243E-04 ppm1 1.897 ppm2 3.963 CV 1
ASSI { 2663}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 25 and name HA ))
4.700 2.800 1.300 peak 2663 weight 0.10000E+01 volume 0.88161E-04 ppm1 1.957 ppm2 3.977 CV 1
ASSI { 2666}
(( segid " " and resid 65 and name HG ))
( segid " " and resid 66 and name HD# )
3.500 1.600 1.600 peak 2666 weight 0.10000E+01 volume 0.48086E-03 ppm1 1.797 ppm2 -0.120 CV 1
ASSI { 2672}
(( segid " " and resid 43 and name HG1#))
(( segid " " and resid 37 and name HA ))
3.800 1.800 1.800 peak 2672 weight 0.10000E+01 volume 0.33520E-03 ppm1 1.444 ppm2 3.054 CV 1
ASSI { 2673}
(( segid " " and resid 73 and name HG# ))
(( segid " " and resid 76 and name HB# ))
4.300 2.400 1.700 peak 2673 weight 0.10000E+01 volume 0.14287E-03 ppm1 1.781 ppm2 2.732 CV 1
ASSI { 2676}
(( segid " " and resid 73 and name HG# ))
(( segid " " and resid 73 and name HB# ))
2.200 0.600 0.600 peak 2676 weight 0.10000E+01 volume 0.87056E-02 ppm1 1.773 ppm2 2.103 CV 1
ASSI { 2677}
(( segid " " and resid 43 and name HG1#))
( segid " " and resid 43 and name HD# )
2.200 0.600 0.600 peak 2677 weight 0.10000E+01 volume 0.94188E-02 ppm1 1.768 ppm2 1.126 CV 1
ASSI { 2681}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 72 and name HN ))
5.300 3.500 0.700 peak 2681 weight 0.10000E+01 volume 0.42326E-04 ppm1 0.944 ppm2 7.796 CV 1
ASSI { 2690}
(( segid " " and resid 46 and name HG ))
(( segid " " and resid 48 and name HN ))
3.600 1.600 1.600 peak 2690 weight 0.10000E+01 volume 0.44370E-03 ppm1 1.862 ppm2 7.434 CV 1
ASSI { 2691}
(( segid " " and resid 96 and name HG ))
(( segid " " and resid 96 and name HA ))
2.700 0.900 0.900 peak 2691 weight 0.10000E+01 volume 0.92899E-02 ppm1 1.831 ppm2 4.251 CV 1
ASSI { 2692}
(( segid " " and resid 96 and name HG ))
(( segid " " and resid 96 and name HB# ))
2.000 0.500 0.500 peak 2692 weight 0.10000E+01 volume 0.13531E-01 ppm1 1.834 ppm2 1.620 CV 1
ASSI { 2694}
(( segid " " and resid 17 and name HG# ))
(( segid " " and resid 18 and name HN ))
3.000 1.100 1.100 peak 2694 weight 0.10000E+01 volume 0.14091E-02 ppm1 1.811 ppm2 7.592 CV 1
ASSI { 2704}
(( segid " " and resid 17 and name HG# ))
(( segid " " and resid 17 and name HB# ))
2.300 0.600 0.600 peak 2704 weight 0.10000E+01 volume 0.73293E-02 ppm1 1.820 ppm2 1.472 CV 1
ASSI { 2705}
(( segid " " and resid 46 and name HG ))
( segid " " and resid 111 and name HE% )
3.900 1.900 1.900 peak 2705 weight 0.10000E+01 volume 0.28782E-03 ppm1 1.857 ppm2 6.650 CV 1
ASSI { 2706}
(( segid " " and resid 46 and name HG ))
(( segid " " and resid 46 and name HN ))
2.800 1.000 1.000 peak 2706 weight 0.10000E+01 volume 0.19065E-02 ppm1 1.863 ppm2 8.116 CV 1
ASSI { 2707}
(( segid " " and resid 107 and name HG ))
( segid " " and resid 109 and name HD# )
2.500 0.800 0.800 peak 2707 weight 0.10000E+01 volume 0.93346E-02 ppm1 0.758 ppm2 0.317 CV 1
ASSI { 2713}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 93 and name HA ))
3.500 1.500 1.500 peak 2713 weight 0.10000E+01 volume 0.51059E-03 ppm1 0.757 ppm2 4.334 CV 1
ASSI { 2714}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 33 and name HA ))
4.100 2.100 1.900 peak 2714 weight 0.10000E+01 volume 0.19676E-03 ppm1 0.754 ppm2 5.110 CV 1
ASSI { 2718}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 97 and name HN ))
2.900 1.000 1.000 peak 2718 weight 0.10000E+01 volume 0.16314E-02 ppm1 0.759 ppm2 9.018 CV 1
ASSI { 2721}
(( segid " " and resid 89 and name HB ))
(( segid " " and resid 59 and name HB ))
3.300 1.300 1.300 peak 2721 weight 0.10000E+01 volume 0.78757E-03 ppm1 4.250 ppm2 2.405 CV 1
ASSI { 2722}
(( segid " " and resid 89 and name HB ))
(( segid " " and resid 89 and name HA ))
2.200 0.600 0.600 peak 2722 weight 0.10000E+01 volume 0.95942E-02 ppm1 4.252 ppm2 3.888 CV 1
ASSI { 2727}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 62 and name HB# ))
2.400 0.700 0.700 peak 2727 weight 0.10000E+01 volume 0.50857E-02 ppm1 0.897 ppm2 3.266 CV 1
ASSI { 2731}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 62 and name HA ))
2.800 1.000 1.000 peak 2731 weight 0.10000E+01 volume 0.20562E-02 ppm1 0.896 ppm2 4.468 CV 1
ASSI { 2732}
( segid " " and resid 57 and name HD# )
( segid " " and resid 62 and name HE% )
4.300 2.400 1.700 peak 2732 weight 0.10000E+01 volume 0.14194E-03 ppm1 0.894 ppm2 6.524 CV 1
ASSI { 2738}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 93 and name HN ))
4.600 2.600 1.400 peak 2738 weight 0.10000E+01 volume 0.10375E-03 ppm1 0.899 ppm2 9.339 CV 1
ASSI { 2739}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 73 and name HN ))
3.200 1.300 1.300 peak 2739 weight 0.10000E+01 volume 0.93229E-03 ppm1 0.849 ppm2 9.126 CV 1
ASSI { 2740}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 67 and name HN ))
3.800 1.800 1.800 peak 2740 weight 0.10000E+01 volume 0.30898E-03 ppm1 0.851 ppm2 8.525 CV 1
ASSI { 2741}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 44 and name HN ))
4.700 2.800 1.300 peak 2741 weight 0.10000E+01 volume 0.85168E-04 ppm1 0.850 ppm2 8.298 CV 1
ASSI { 2743}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 78 and name HN ))
4.800 2.800 1.200 peak 2743 weight 0.10000E+01 volume 0.80625E-04 ppm1 0.847 ppm2 6.951 CV 1
ASSI { 2745}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 77 and name HA ))
4.300 2.300 1.700 peak 2745 weight 0.10000E+01 volume 0.15114E-03 ppm1 0.854 ppm2 4.035 CV 1
ASSI { 2747}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HG ))
1.800 0.400 0.400 peak 2747 weight 0.10000E+01 volume 0.26964E-01 ppm1 0.848 ppm2 1.700 CV 1
OR { 2747}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HB# ))
ASSI { 2750}
(( segid " " and resid 72 and name HG ))
(( segid " " and resid 72 and name HB# ))
2.600 0.900 0.900 peak 2750 weight 0.10000E+01 volume 0.29994E-02 ppm1 1.704 ppm2 1.365 CV 1
ASSI { 2752}
(( segid " " and resid 72 and name HG ))
(( segid " " and resid 72 and name HA ))
4.100 2.100 1.900 peak 2752 weight 0.10000E+01 volume 0.20450E-03 ppm1 1.703 ppm2 4.475 CV 1
ASSI { 2753}
(( segid " " and resid 72 and name HG ))
(( segid " " and resid 72 and name HN ))
3.300 1.400 1.400 peak 2753 weight 0.10000E+01 volume 0.70901E-03 ppm1 1.716 ppm2 7.809 CV 1
ASSI { 2754}
(( segid " " and resid 72 and name HG ))
(( segid " " and resid 73 and name HN ))
4.700 2.800 1.300 peak 2754 weight 0.10000E+01 volume 0.88987E-04 ppm1 1.701 ppm2 9.118 CV 1
ASSI { 2755}
(( segid " " and resid 57 and name HG ))
( segid " " and resid 57 and name HD# )
1.800 0.400 0.400 peak 2755 weight 0.10000E+01 volume 0.29950E-01 ppm1 2.033 ppm2 0.895 CV 1
ASSI { 2759}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 62 and name HB# ))
3.700 1.700 1.700 peak 2759 weight 0.10000E+01 volume 0.36895E-03 ppm1 2.042 ppm2 3.136 CV 1
ASSI { 2763}
(( segid " " and resid 72 and name HG ))
( segid " " and resid 70 and name HD# )
3.100 1.200 1.200 peak 2763 weight 0.10000E+01 volume 0.11102E-02 ppm1 1.706 ppm2 0.459 CV 1
ASSI { 2770}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 101 and name HN ))
2.900 1.100 1.100 peak 2770 weight 0.10000E+01 volume 0.15745E-02 ppm1 2.264 ppm2 8.434 CV 1
ASSI { 2771}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 101 and name HN ))
2.600 0.800 0.800 peak 2771 weight 0.10000E+01 volume 0.33579E-02 ppm1 2.077 ppm2 8.426 CV 1
ASSI { 2772}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 102 and name HN ))
3.000 1.100 1.100 peak 2772 weight 0.10000E+01 volume 0.13205E-02 ppm1 2.080 ppm2 8.822 CV 1
ASSI { 2773}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 102 and name HN ))
3.000 1.100 1.100 peak 2773 weight 0.10000E+01 volume 0.12330E-02 ppm1 2.266 ppm2 8.818 CV 1
ASSI { 2774}
(( segid " " and resid 87 and name HG# ))
( segid " " and resid 59 and name HG# )
2.200 0.600 0.600 peak 2774 weight 0.10000E+01 volume 0.73469E-02 ppm1 2.136 ppm2 0.877 CV 1
ASSI { 2779}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 80 and name HB# ))
3.800 1.800 1.800 peak 2779 weight 0.10000E+01 volume 0.32302E-03 ppm1 2.141 ppm2 2.817 CV 1
ASSI { 2786}
(( segid " " and resid 46 and name HG ))
(( segid " " and resid 46 and name HA ))
3.400 1.500 1.500 peak 2786 weight 0.10000E+01 volume 0.57356E-03 ppm1 1.855 ppm2 4.420 CV 1
ASSI { 2790}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 52 and name HD# )
3.300 1.400 1.400 peak 2790 weight 0.10000E+01 volume 0.70271E-03 ppm1 2.530 ppm2 0.434 CV 1
ASSI { 2791}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 52 and name HD# )
3.800 1.800 1.800 peak 2791 weight 0.10000E+01 volume 0.32002E-03 ppm1 1.431 ppm2 0.478 CV 1
ASSI { 2794}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 32 and name HB# ))
2.100 0.600 0.600 peak 2794 weight 0.10000E+01 volume 0.10797E-01 ppm1 1.433 ppm2 1.593 CV 1
ASSI { 2803}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 97 and name HE% )
3.900 1.900 1.900 peak 2803 weight 0.10000E+01 volume 0.25715E-03 ppm1 1.429 ppm2 6.739 CV 1
ASSI { 2804}
(( segid " " and resid 66 and name HG1#))
(( segid " " and resid 67 and name HN ))
3.700 1.700 1.700 peak 2804 weight 0.10000E+01 volume 0.37319E-03 ppm1 0.416 ppm2 8.549 CV 1
ASSI { 2809}
(( segid " " and resid 66 and name HG1#))
( segid " " and resid 80 and name HE% )
3.900 1.900 1.900 peak 2809 weight 0.10000E+01 volume 0.28833E-03 ppm1 0.691 ppm2 6.654 CV 1
ASSI { 2810}
(( segid " " and resid 66 and name HG1#))
( segid " " and resid 80 and name HE% )
2.500 0.800 0.800 peak 2810 weight 0.10000E+01 volume 0.36506E-02 ppm1 0.438 ppm2 6.652 CV 1
ASSI { 2823}
(( segid " " and resid 24 and name HG# ))
(( segid " " and resid 32 and name HG# ))
4.400 2.400 1.600 peak 2823 weight 0.10000E+01 volume 0.13988E-03 ppm1 1.608 ppm2 2.520 CV 1
ASSI { 2827}
(( segid " " and resid 24 and name HG# ))
(( segid " " and resid 25 and name HN ))
3.600 1.600 1.600 peak 2827 weight 0.10000E+01 volume 0.46393E-03 ppm1 1.611 ppm2 7.379 CV 1
ASSI { 2835}
(( segid " " and resid 71 and name HB# ))
(( segid " " and resid 71 and name HN ))
2.700 0.900 0.900 peak 2835 weight 0.10000E+01 volume 0.25551E-02 ppm1 3.286 ppm2 7.498 CV 1
ASSI { 2837}
(( segid " " and resid 71 and name HB# ))
(( segid " " and resid 72 and name HN ))
4.800 2.800 1.200 peak 2837 weight 0.10000E+01 volume 0.81864E-04 ppm1 3.476 ppm2 7.797 CV 1
ASSI { 2838}
(( segid " " and resid 71 and name HB# ))
(( segid " " and resid 72 and name HN ))
4.100 2.100 1.900 peak 2838 weight 0.10000E+01 volume 0.20553E-03 ppm1 3.277 ppm2 7.805 CV 1
ASSI { 2842}
( segid " " and resid 46 and name HD# )
(( segid " " and resid 70 and name HN ))
3.300 1.300 1.300 peak 2842 weight 0.10000E+01 volume 0.80067E-03 ppm1 0.893 ppm2 7.495 CV 1
ASSI { 2843}
( segid " " and resid 46 and name HD# )
(( segid " " and resid 46 and name HN ))
3.500 1.500 1.500 peak 2843 weight 0.10000E+01 volume 0.50337E-03 ppm1 0.889 ppm2 8.117 CV 1
ASSI { 2846}
( segid " " and resid 46 and name HD# )
(( segid " " and resid 35 and name HN ))
4.000 2.000 2.000 peak 2846 weight 0.10000E+01 volume 0.21679E-03 ppm1 0.975 ppm2 9.118 CV 1
ASSI { 2848}
( segid " " and resid 46 and name HD# )
(( segid " " and resid 70 and name HN ))
3.000 1.100 1.100 peak 2848 weight 0.10000E+01 volume 0.13793E-02 ppm1 0.975 ppm2 7.472 CV 1
ASSI { 2861}
(( segid " " and resid 34 and name HG1#))
(( segid " " and resid 106 and name HB# ))
3.600 1.600 1.600 peak 2861 weight 0.10000E+01 volume 0.43430E-03 ppm1 0.556 ppm2 2.015 CV 1
ASSI { 2876}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 66 and name HN ))
4.100 2.100 1.900 peak 2876 weight 0.10000E+01 volume 0.20801E-03 ppm1 1.016 ppm2 7.812 CV 1
ASSI { 2878}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HN ))
3.500 1.600 1.600 peak 2878 weight 0.10000E+01 volume 0.49273E-03 ppm1 1.367 ppm2 7.436 CV 1
ASSI { 2879}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HE# ))
2.700 0.900 0.900 peak 2879 weight 0.10000E+01 volume 0.23670E-02 ppm1 1.356 ppm2 2.941 CV 1
ASSI { 2883}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HB# ))
2.400 0.700 0.700 peak 2883 weight 0.10000E+01 volume 0.52208E-02 ppm1 1.357 ppm2 1.907 CV 1
ASSI { 2886}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 19 and name HA ))
4.200 2.200 1.800 peak 2886 weight 0.10000E+01 volume 0.17673E-03 ppm1 1.658 ppm2 4.117 CV 1
ASSI { 2887}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 2887 weight 0.10000E+01 volume 0.28677E-02 ppm1 1.661 ppm2 7.454 CV 1
OR { 2887}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 25 and name HN ))
ASSI { 2888}
(( segid " " and resid 22 and name HG# ))
(( segid " " and resid 23 and name HN ))
4.600 2.700 1.400 peak 2888 weight 0.10000E+01 volume 0.95799E-04 ppm1 1.661 ppm2 8.303 CV 1
ASSI { 2904}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 119 and name HN ))
3.800 1.800 1.800 peak 2904 weight 0.10000E+01 volume 0.33808E-03 ppm1 0.823 ppm2 7.399 CV 1
ASSI { 2905}
(( segid " " and resid 49 and name HG# ))
( segid " " and resid 34 and name HG# )
4.200 2.200 1.800 peak 2905 weight 0.10000E+01 volume 0.16568E-03 ppm1 1.718 ppm2 0.649 CV 1
ASSI { 2906}
(( segid " " and resid 49 and name HG# ))
( segid " " and resid 34 and name HG# )
3.900 1.900 1.900 peak 2906 weight 0.10000E+01 volume 0.25943E-03 ppm1 1.591 ppm2 0.655 CV 1
ASSI { 2907}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HD# ))
1.700 0.400 0.500 peak 2907 weight 0.10000E+01 volume 0.37458E-01 ppm1 1.590 ppm2 1.758 CV 1
ASSI { 2914}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HB# ))
2.600 0.900 0.900 peak 2914 weight 0.10000E+01 volume 0.29553E-02 ppm1 1.501 ppm2 2.010 CV 1
ASSI { 2917}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 12 and name HD# ))
3.900 1.900 1.900 peak 2917 weight 0.10000E+01 volume 0.26098E-03 ppm1 1.593 ppm2 3.720 CV 1
ASSI { 2918}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 12 and name HD# ))
3.700 1.700 1.700 peak 2918 weight 0.10000E+01 volume 0.37226E-03 ppm1 1.506 ppm2 3.708 CV 1
ASSI { 2921}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 50 and name HN ))
3.200 1.200 1.200 peak 2921 weight 0.10000E+01 volume 0.95923E-03 ppm1 1.590 ppm2 6.983 CV 1
ASSI { 2923}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 15 and name HN ))
4.500 2.500 1.500 peak 2923 weight 0.10000E+01 volume 0.11841E-03 ppm1 1.594 ppm2 7.101 CV 1
ASSI { 2925}
( segid " " and resid 59 and name HG# )
( segid " " and resid 91 and name HB% )
2.100 0.500 0.500 peak 2925 weight 0.10000E+01 volume 0.12310E-01 ppm1 0.958 ppm2 1.497 CV 1
ASSI { 2928}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HB# ))
2.000 0.500 0.500 peak 2928 weight 0.10000E+01 volume 0.16779E-01 ppm1 0.440 ppm2 1.308 CV 1
ASSI { 2932}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 87 and name HB# ))
2.500 0.800 0.800 peak 2932 weight 0.10000E+01 volume 0.35748E-02 ppm1 0.959 ppm2 2.160 CV 1
ASSI { 2944}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 92 and name HN ))
4.100 2.100 1.900 peak 2944 weight 0.10000E+01 volume 0.18789E-03 ppm1 0.958 ppm2 8.169 CV 1
ASSI { 2947}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 53 and name HN ))
3.200 1.300 1.300 peak 2947 weight 0.10000E+01 volume 0.83340E-03 ppm1 0.441 ppm2 8.400 CV 1
ASSI { 2948}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HN ))
3.600 1.600 1.600 peak 2948 weight 0.10000E+01 volume 0.42780E-03 ppm1 0.442 ppm2 8.595 CV 1
ASSI { 2950}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 31 and name HN ))
5.300 3.500 0.700 peak 2950 weight 0.10000E+01 volume 0.42532E-04 ppm1 0.438 ppm2 9.128 CV 1
ASSI { 2951}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 60 and name HN ))
2.800 0.900 0.900 peak 2951 weight 0.10000E+01 volume 0.21934E-02 ppm1 0.960 ppm2 8.917 CV 1
ASSI { 2952}
( segid " " and resid 59 and name HG# )
(( segid " " and resid 93 and name HN ))
3.400 1.400 1.400 peak 2952 weight 0.10000E+01 volume 0.62549E-03 ppm1 0.959 ppm2 9.340 CV 1
ASSI { 2956}
(( segid " " and resid 26 and name HG# ))
( segid " " and resid 27 and name HD% )
4.200 2.200 1.800 peak 2956 weight 0.10000E+01 volume 0.18220E-03 ppm1 0.942 ppm2 7.162 CV 1
ASSI { 2966}
(( segid " " and resid 26 and name HG# ))
(( segid " " and resid 27 and name HN ))
4.600 2.700 1.400 peak 2966 weight 0.10000E+01 volume 0.95799E-04 ppm1 0.536 ppm2 8.034 CV 1
ASSI { 2968}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HG ))
1.800 0.400 0.400 peak 2968 weight 0.10000E+01 volume 0.28934E-01 ppm1 0.821 ppm2 1.114 CV 1
OR { 2968}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 78 and name HB# ))
ASSI { 2969}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 107 and name HB# ))
2.100 0.600 0.600 peak 2969 weight 0.10000E+01 volume 0.10471E-01 ppm1 0.881 ppm2 1.392 CV 1
ASSI { 2974}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 107 and name HN ))
4.200 2.200 1.800 peak 2974 weight 0.10000E+01 volume 0.17467E-03 ppm1 0.888 ppm2 7.885 CV 1
ASSI { 2975}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 100 and name HN ))
3.000 1.100 1.100 peak 2975 weight 0.10000E+01 volume 0.13075E-02 ppm1 0.881 ppm2 8.143 CV 1
ASSI { 2976}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 101 and name HN ))
2.900 1.100 1.100 peak 2976 weight 0.10000E+01 volume 0.15584E-02 ppm1 0.883 ppm2 8.424 CV 1
ASSI { 2977}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 67 and name HN ))
3.700 1.700 1.700 peak 2977 weight 0.10000E+01 volume 0.39466E-03 ppm1 0.822 ppm2 8.514 CV 1
ASSI { 2978}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 97 and name HN ))
3.400 1.400 1.400 peak 2978 weight 0.10000E+01 volume 0.64387E-03 ppm1 0.879 ppm2 9.005 CV 1
ASSI { 2979}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 109 and name HN ))
4.200 2.200 1.800 peak 2979 weight 0.10000E+01 volume 0.17602E-03 ppm1 0.877 ppm2 9.375 CV 1
ASSI { 2983}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 69 and name HN ))
3.700 1.700 1.700 peak 2983 weight 0.10000E+01 volume 0.38836E-03 ppm1 1.297 ppm2 7.527 CV 1
ASSI { 2984}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 69 and name HN ))
3.300 1.400 1.400 peak 2984 weight 0.10000E+01 volume 0.69259E-03 ppm1 1.370 ppm2 7.523 CV 1
ASSI { 2986}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 67 and name HD# ))
4.700 2.800 1.300 peak 2986 weight 0.10000E+01 volume 0.83412E-04 ppm1 1.302 ppm2 2.830 CV 1
ASSI { 2988}
(( segid " " and resid 68 and name HG# ))
(( segid " " and resid 68 and name HB# ))
2.600 0.800 0.800 peak 2988 weight 0.10000E+01 volume 0.31003E-02 ppm1 1.305 ppm2 1.754 CV 1
ASSI { 3005}
(( segid " " and resid 4 and name HG# ))
(( segid " " and resid 5 and name HN ))
4.400 2.400 1.600 peak 3005 weight 0.10000E+01 volume 0.13296E-03 ppm1 1.409 ppm2 8.605 CV 1
ASSI { 3009}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HN ))
3.000 1.100 1.100 peak 3009 weight 0.10000E+01 volume 0.12702E-02 ppm1 3.712 ppm2 7.627 CV 1
ASSI { 3013}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 96 and name HN ))
3.100 1.200 1.200 peak 3013 weight 0.10000E+01 volume 0.10387E-02 ppm1 0.902 ppm2 8.400 CV 1
ASSI { 3015}
(( segid " " and resid 48 and name HG# ))
(( segid " " and resid 50 and name HN ))
3.400 1.400 1.400 peak 3015 weight 0.10000E+01 volume 0.63602E-03 ppm1 0.714 ppm2 6.984 CV 1
ASSI { 3017}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 88 and name HD# ))
3.800 1.800 1.800 peak 3017 weight 0.10000E+01 volume 0.31796E-03 ppm1 0.906 ppm2 3.580 CV 1
ASSI { 3029}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 50 and name HB# ))
2.500 0.800 0.800 peak 3029 weight 0.10000E+01 volume 0.43549E-02 ppm1 1.012 ppm2 1.624 CV 1
ASSI { 3030}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 50 and name HB# ))
2.300 0.600 0.600 peak 3030 weight 0.10000E+01 volume 0.72420E-02 ppm1 1.196 ppm2 1.627 CV 1
ASSI { 3038}
(( segid " " and resid 50 and name HG# ))
(( segid " " and resid 50 and name HN ))
3.900 1.900 1.900 peak 3038 weight 0.10000E+01 volume 0.27264E-03 ppm1 1.197 ppm2 6.978 CV 1
ASSI { 3044}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 3044 weight 0.10000E+01 volume 0.13141E-02 ppm1 0.491 ppm2 9.139 CV 1
ASSI { 3046}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 27 and name HN ))
5.000 3.100 1.000 peak 3046 weight 0.10000E+01 volume 0.62868E-04 ppm1 0.492 ppm2 8.049 CV 1
ASSI { 3048}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HN ))
3.900 1.900 1.900 peak 3048 weight 0.10000E+01 volume 0.27419E-03 ppm1 0.491 ppm2 8.594 CV 1
ASSI { 3051}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 31 and name HA ))
4.200 2.200 1.800 peak 3051 weight 0.10000E+01 volume 0.17539E-03 ppm1 0.493 ppm2 4.163 CV 1
ASSI { 3052}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 32 and name HD# ))
3.400 1.400 1.400 peak 3052 weight 0.10000E+01 volume 0.66823E-03 ppm1 0.494 ppm2 3.350 CV 1
ASSI { 3055}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 32 and name HG# ))
3.400 1.500 1.500 peak 3055 weight 0.10000E+01 volume 0.58471E-03 ppm1 0.500 ppm2 2.495 CV 1
ASSI { 3059}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 52 and name HB# ))
2.000 0.500 0.500 peak 3059 weight 0.10000E+01 volume 0.14937E-01 ppm1 0.492 ppm2 1.306 CV 1
ASSI { 3060}
( segid " " and resid 52 and name HD# )
(( segid " " and resid 32 and name HB# ))
2.700 0.900 0.900 peak 3060 weight 0.10000E+01 volume 0.22869E-02 ppm1 0.492 ppm2 1.578 CV 1
ASSI { 3067}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HG ))
2.300 0.700 0.700 peak 3067 weight 0.10000E+01 volume 0.64122E-02 ppm1 0.847 ppm2 1.806 CV 1
OR { 3067}
( segid " " and resid 65 and name HD# )
(( segid " " and resid 65 and name HB# ))
ASSI { 3070}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 4 and name HB# ))
3.700 1.700 1.700 peak 3070 weight 0.10000E+01 volume 0.36091E-03 ppm1 0.791 ppm2 1.676 CV 1
ASSI { 3073}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 39 and name HG# ))
4.400 2.500 1.600 peak 3073 weight 0.10000E+01 volume 0.12274E-03 ppm1 0.792 ppm2 1.982 CV 1
ASSI { 3074}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 39 and name HG# ))
3.300 1.400 1.400 peak 3074 weight 0.10000E+01 volume 0.68691E-03 ppm1 0.791 ppm2 2.042 CV 1
ASSI { 3075}
( segid " " and resid 119 and name HD# )
( segid " " and resid 117 and name HD% )
3.300 1.400 1.400 peak 3075 weight 0.10000E+01 volume 0.67452E-03 ppm1 0.790 ppm2 6.602 CV 1
OR { 3075}
( segid " " and resid 119 and name HD# )
( segid " " and resid 117 and name HE% )
ASSI { 3076}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 119 and name HN ))
4.000 2.000 2.000 peak 3076 weight 0.10000E+01 volume 0.22711E-03 ppm1 0.794 ppm2 7.394 CV 1
ASSI { 3077}
( segid " " and resid 119 and name HD# )
(( segid " " and resid 4 and name HN ))
5.400 3.600 0.600 peak 3077 weight 0.10000E+01 volume 0.39023E-04 ppm1 0.791 ppm2 8.066 CV 1
ASSI { 3078}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 77 and name HN ))
3.900 1.900 1.900 peak 3078 weight 0.10000E+01 volume 0.26479E-03 ppm1 0.898 ppm2 8.499 CV 1
ASSI { 3079}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 44 and name HN ))
3.700 1.700 1.700 peak 3079 weight 0.10000E+01 volume 0.36441E-03 ppm1 0.894 ppm2 8.294 CV 1
ASSI { 3082}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 67 and name HA ))
3.800 1.800 1.800 peak 3082 weight 0.10000E+01 volume 0.29618E-03 ppm1 0.895 ppm2 3.393 CV 1
ASSI { 3084}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HG ))
2.000 0.500 0.500 peak 3084 weight 0.10000E+01 volume 0.14402E-01 ppm1 0.895 ppm2 1.701 CV 1
ASSI { 3085}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 72 and name HB# ))
1.900 0.500 0.500 peak 3085 weight 0.10000E+01 volume 0.17389E-01 ppm1 0.895 ppm2 1.387 CV 1
ASSI { 3095}
(( segid " " and resid 37 and name HG# ))
(( segid " " and resid 38 and name HN ))
2.800 1.000 1.000 peak 3095 weight 0.10000E+01 volume 0.19394E-02 ppm1 1.665 ppm2 8.883 CV 1
ASSI { 3096}
(( segid " " and resid 37 and name HG# ))
(( segid " " and resid 38 and name HN ))
2.900 1.000 1.000 peak 3096 weight 0.10000E+01 volume 0.17479E-02 ppm1 0.855 ppm2 8.885 CV 1
ASSI { 3103}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 39 and name HD# ))
4.700 2.700 1.300 peak 3103 weight 0.10000E+01 volume 0.89503E-04 ppm1 1.560 ppm2 3.863 CV 1
ASSI { 3106}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 84 and name HN ))
4.700 2.700 1.300 peak 3106 weight 0.10000E+01 volume 0.90433E-04 ppm1 1.559 ppm2 8.192 CV 1
ASSI { 3107}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 36 and name HN ))
3.100 1.200 1.200 peak 3107 weight 0.10000E+01 volume 0.10688E-02 ppm1 1.559 ppm2 8.695 CV 1
ASSI { 3108}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 38 and name HN ))
3.400 1.500 1.500 peak 3108 weight 0.10000E+01 volume 0.58099E-03 ppm1 1.560 ppm2 8.889 CV 1
ASSI { 3109}
( segid " " and resid 110 and name HB% )
(( segid " " and resid 82 and name HN ))
3.400 1.500 1.500 peak 3109 weight 0.10000E+01 volume 0.57459E-03 ppm1 1.563 ppm2 9.340 CV 1
ASSI { 3112}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 112 and name HN ))
3.200 1.200 1.200 peak 3112 weight 0.10000E+01 volume 0.96698E-03 ppm1 3.919 ppm2 9.282 CV 1
ASSI { 3113}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 113 and name HN ))
3.500 1.500 1.500 peak 3113 weight 0.10000E+01 volume 0.53165E-03 ppm1 4.267 ppm2 9.437 CV 1
ASSI { 3121}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 112 and name HG ))
3.000 1.100 1.100 peak 3121 weight 0.10000E+01 volume 0.12693E-02 ppm1 3.921 ppm2 6.529 CV 1
ASSI { 3122}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 112 and name HG ))
3.700 1.700 1.700 peak 3122 weight 0.10000E+01 volume 0.39311E-03 ppm1 4.274 ppm2 6.522 CV 1
ASSI { 3125}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 79 and name HB# ))
3.300 1.400 1.400 peak 3125 weight 0.10000E+01 volume 0.71282E-03 ppm1 4.258 ppm2 2.555 CV 1
ASSI { 3126}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 114 and name HG# ))
3.400 1.400 1.400 peak 3126 weight 0.10000E+01 volume 0.62373E-03 ppm1 4.262 ppm2 2.317 CV 1
ASSI { 3130}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 37 and name HG# ))
3.800 1.800 1.800 peak 3130 weight 0.10000E+01 volume 0.30516E-03 ppm1 3.918 ppm2 0.848 CV 1
ASSI { 3133}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 59 and name HA ))
4.100 2.100 1.900 peak 3133 weight 0.10000E+01 volume 0.19666E-03 ppm1 1.381 ppm2 3.668 CV 1
ASSI { 3135}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 90 and name HN ))
3.800 1.800 1.800 peak 3135 weight 0.10000E+01 volume 0.31424E-03 ppm1 1.375 ppm2 7.782 CV 1
ASSI { 3136}
( segid " " and resid 89 and name HG# )
(( segid " " and resid 61 and name HN ))
4.700 2.700 1.300 peak 3136 weight 0.10000E+01 volume 0.93013E-04 ppm1 1.378 ppm2 8.110 CV 1
ASSI { 3140}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 37 and name HE# ))
4.000 2.000 2.000 peak 3140 weight 0.10000E+01 volume 0.24497E-03 ppm1 4.237 ppm2 3.010 CV 1
ASSI { 3141}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HD# ))
3.700 1.700 1.700 peak 3141 weight 0.10000E+01 volume 0.37546E-03 ppm1 4.229 ppm2 3.334 CV 1
ASSI { 3143}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 59 and name HN ))
3.000 1.100 1.100 peak 3143 weight 0.10000E+01 volume 0.14137E-02 ppm1 3.883 ppm2 9.110 CV 1
ASSI { 3144}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 90 and name HN ))
4.300 2.300 1.700 peak 3144 weight 0.10000E+01 volume 0.14680E-03 ppm1 3.879 ppm2 7.773 CV 1
ASSI { 3145}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 91 and name HN ))
3.500 1.600 1.600 peak 3145 weight 0.10000E+01 volume 0.49748E-03 ppm1 3.879 ppm2 7.283 CV 1
ASSI { 3150}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 27 and name HN ))
3.500 1.600 1.600 peak 3150 weight 0.10000E+01 volume 0.48819E-03 ppm1 3.770 ppm2 8.025 CV 1
ASSI { 3156}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 111 and name HB# ))
3.600 1.600 1.600 peak 3156 weight 0.10000E+01 volume 0.41923E-03 ppm1 0.898 ppm2 3.269 CV 1
ASSI { 3160}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 111 and name HN ))
3.300 1.400 1.400 peak 3160 weight 0.10000E+01 volume 0.71778E-03 ppm1 0.897 ppm2 8.520 CV 1
ASSI { 3161}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 37 and name HN ))
3.900 1.900 1.900 peak 3161 weight 0.10000E+01 volume 0.27099E-03 ppm1 0.904 ppm2 8.836 CV 1
ASSI { 3163}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 109 and name HN ))
3.200 1.300 1.300 peak 3163 weight 0.10000E+01 volume 0.86323E-03 ppm1 0.900 ppm2 9.368 CV 1
ASSI { 3165}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 24 and name HA ))
3.000 1.100 1.100 peak 3165 weight 0.10000E+01 volume 0.13587E-02 ppm1 4.449 ppm2 4.027 CV 1
ASSI { 3174}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 66 and name HG1#))
1.900 0.400 0.400 peak 3174 weight 0.10000E+01 volume 0.23013E-01 ppm1 0.826 ppm2 0.673 CV 1
ASSI { 3181}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 3181 weight 0.10000E+01 volume 0.13283E-02 ppm1 0.826 ppm2 8.711 CV 1
ASSI { 3193}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 51 and name HB# ))
3.100 1.200 1.200 peak 3193 weight 0.10000E+01 volume 0.10051E-02 ppm1 0.589 ppm2 2.644 CV 1
ASSI { 3198}
( segid " " and resid 33 and name HG# )
( segid " " and resid 51 and name HD% )
3.200 1.200 1.200 peak 3198 weight 0.10000E+01 volume 0.95409E-03 ppm1 0.588 ppm2 7.057 CV 1
ASSI { 3200}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 53 and name HN ))
3.200 1.200 1.200 peak 3200 weight 0.10000E+01 volume 0.97310E-03 ppm1 0.591 ppm2 8.408 CV 1
ASSI { 3201}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 52 and name HN ))
4.000 2.000 2.000 peak 3201 weight 0.10000E+01 volume 0.22990E-03 ppm1 0.594 ppm2 8.621 CV 1
ASSI { 3215}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 51 and name HN ))
2.900 1.000 1.000 peak 3215 weight 0.10000E+01 volume 0.17352E-02 ppm1 0.640 ppm2 9.500 CV 1
ASSI { 3219}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 107 and name HN ))
5.600 3.900 0.400 peak 3219 weight 0.10000E+01 volume 0.30557E-04 ppm1 0.646 ppm2 7.923 CV 1
ASSI { 3225}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 51 and name HB# ))
3.000 1.100 1.100 peak 3225 weight 0.10000E+01 volume 0.13446E-02 ppm1 0.640 ppm2 2.643 CV 1
ASSI { 3230}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 109 and name HG1#))
2.400 0.700 0.700 peak 3230 weight 0.10000E+01 volume 0.49458E-02 ppm1 0.641 ppm2 1.337 CV 1
ASSI { 3236}
( segid " " and resid 33 and name HG# )
( segid " " and resid 66 and name HD# )
4.100 2.100 1.900 peak 3236 weight 0.10000E+01 volume 0.20316E-03 ppm1 0.642 ppm2 -0.145 CV 1
ASSI { 3248}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 61 and name HB# ))
2.800 1.000 1.000 peak 3248 weight 0.10000E+01 volume 0.18064E-02 ppm1 1.272 ppm2 2.518 CV 1
ASSI { 3251}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 61 and name HE21))
4.600 2.700 1.400 peak 3251 weight 0.10000E+01 volume 0.94664E-04 ppm1 1.268 ppm2 6.871 CV 1
ASSI { 3252}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 61 and name HN ))
3.100 1.200 1.200 peak 3252 weight 0.10000E+01 volume 0.11506E-02 ppm1 1.270 ppm2 8.126 CV 1
ASSI { 3254}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 60 and name HN ))
3.000 1.200 1.200 peak 3254 weight 0.10000E+01 volume 0.12051E-02 ppm1 1.270 ppm2 8.923 CV 1
ASSI { 3255}
( segid " " and resid 58 and name HG# )
(( segid " " and resid 93 and name HN ))
3.200 1.300 1.300 peak 3255 weight 0.10000E+01 volume 0.83485E-03 ppm1 1.271 ppm2 9.340 CV 1
ASSI { 3261}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 94 and name HN ))
2.800 0.900 0.900 peak 3261 weight 0.10000E+01 volume 0.21885E-02 ppm1 1.226 ppm2 9.461 CV 1
ASSI { 3262}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 59 and name HN ))
3.400 1.400 1.400 peak 3262 weight 0.10000E+01 volume 0.65708E-03 ppm1 1.227 ppm2 9.094 CV 1
ASSI { 3263}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 58 and name HN ))
3.400 1.400 1.400 peak 3263 weight 0.10000E+01 volume 0.64283E-03 ppm1 1.228 ppm2 8.722 CV 1
ASSI { 3264}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 95 and name HN ))
3.400 1.400 1.400 peak 3264 weight 0.10000E+01 volume 0.65274E-03 ppm1 1.223 ppm2 7.999 CV 1
ASSI { 3265}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 57 and name HN ))
3.700 1.700 1.700 peak 3265 weight 0.10000E+01 volume 0.38289E-03 ppm1 1.229 ppm2 7.453 CV 1
ASSI { 3273}
( segid " " and resid 31 and name HG# )
( segid " " and resid 93 and name HE% )
3.000 1.100 1.100 peak 3273 weight 0.10000E+01 volume 0.13527E-02 ppm1 0.380 ppm2 0.983 CV 1
ASSI { 3274}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 93 and name HB# ))
3.000 1.100 1.100 peak 3274 weight 0.10000E+01 volume 0.13435E-02 ppm1 0.383 ppm2 1.981 CV 1
ASSI { 3276}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 97 and name HA ))
3.700 1.700 1.700 peak 3276 weight 0.10000E+01 volume 0.38702E-03 ppm1 0.382 ppm2 3.848 CV 1
ASSI { 3280}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 3280 weight 0.10000E+01 volume 0.24156E-02 ppm1 0.377 ppm2 9.130 CV 1
ASSI { 3281}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 94 and name HN ))
4.000 2.000 2.000 peak 3281 weight 0.10000E+01 volume 0.23599E-03 ppm1 0.387 ppm2 9.475 CV 1
ASSI { 3283}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 109 and name HG1#))
3.100 1.200 1.200 peak 3283 weight 0.10000E+01 volume 0.11737E-02 ppm1 0.834 ppm2 1.341 CV 1
ASSI { 3286}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 80 and name HB# ))
3.200 1.300 1.300 peak 3286 weight 0.10000E+01 volume 0.87387E-03 ppm1 0.834 ppm2 2.931 CV 1
ASSI { 3294}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 110 and name HN ))
3.000 1.100 1.100 peak 3294 weight 0.10000E+01 volume 0.13392E-02 ppm1 0.834 ppm2 9.015 CV 1
ASSI { 3299}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HG# ))
3.000 1.100 1.100 peak 3299 weight 0.10000E+01 volume 0.12508E-02 ppm1 4.498 ppm2 2.239 CV 1
ASSI { 3301}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 30 and name HG# ))
2.900 1.100 1.100 peak 3301 weight 0.10000E+01 volume 0.15678E-02 ppm1 4.495 ppm2 1.290 CV 1
ASSI { 3302}
(( segid " " and resid 90 and name HB# ))
(( segid " " and resid 88 and name HB# ))
4.200 2.200 1.800 peak 3302 weight 0.10000E+01 volume 0.17901E-03 ppm1 4.114 ppm2 2.443 CV 1
ASSI { 3303}
(( segid " " and resid 90 and name HB# ))
( segid " " and resid 91 and name HB% )
4.500 2.500 1.500 peak 3303 weight 0.10000E+01 volume 0.11480E-03 ppm1 4.115 ppm2 1.502 CV 1
ASSI { 3320}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 100 and name HE# ))
4.100 2.100 1.900 peak 3320 weight 0.10000E+01 volume 0.19450E-03 ppm1 0.974 ppm2 7.776 CV 1
ASSI { 3322}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 9 and name HN ))
3.700 1.700 1.700 peak 3322 weight 0.10000E+01 volume 0.35636E-03 ppm1 1.006 ppm2 7.615 CV 1
ASSI { 3324}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 101 and name HN ))
2.600 0.900 0.900 peak 3324 weight 0.10000E+01 volume 0.28879E-02 ppm1 3.861 ppm2 8.414 CV 1
ASSI { 3326}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HB# ))
2.500 0.800 0.800 peak 3326 weight 0.10000E+01 volume 0.37566E-02 ppm1 3.858 ppm2 3.304 CV 1
ASSI { 3327}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HB# ))
2.400 0.700 0.700 peak 3327 weight 0.10000E+01 volume 0.55036E-02 ppm1 3.861 ppm2 3.046 CV 1
ASSI { 3328}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 96 and name HB# ))
3.600 1.600 1.600 peak 3328 weight 0.10000E+01 volume 0.43120E-03 ppm1 3.854 ppm2 1.636 CV 1
ASSI { 3329}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 107 and name HB# ))
2.900 1.100 1.100 peak 3329 weight 0.10000E+01 volume 0.15687E-02 ppm1 3.856 ppm2 2.075 CV 1
ASSI { 3332}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 31 and name HG# )
3.100 1.200 1.200 peak 3332 weight 0.10000E+01 volume 0.10086E-02 ppm1 3.857 ppm2 0.390 CV 1
ASSI { 3333}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 18 and name HA ))
1.900 0.400 0.400 peak 3333 weight 0.10000E+01 volume 0.23305E-01 ppm1 4.050 ppm2 4.258 CV 1
ASSI { 3334}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 18 and name HA ))
2.000 0.500 0.500 peak 3334 weight 0.10000E+01 volume 0.13608E-01 ppm1 4.008 ppm2 4.261 CV 1
ASSI { 3335}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 3335 weight 0.10000E+01 volume 0.12305E-02 ppm1 4.047 ppm2 7.785 CV 1
ASSI { 3336}
(( segid " " and resid 18 and name HB# ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 3336 weight 0.10000E+01 volume 0.84280E-03 ppm1 4.008 ppm2 7.783 CV 1
ASSI { 3339}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
3.800 1.800 1.800 peak 3339 weight 0.10000E+01 volume 0.30898E-03 ppm1 3.972 ppm2 9.350 CV 1
ASSI { 3340}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
3.300 1.400 1.400 peak 3340 weight 0.10000E+01 volume 0.70550E-03 ppm1 3.968 ppm2 9.589 CV 1
ASSI { 3341}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HN ))
4.700 2.800 1.300 peak 3341 weight 0.10000E+01 volume 0.86613E-04 ppm1 3.968 ppm2 8.047 CV 1
ASSI { 3346}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 12 and name HB# ))
3.300 1.400 1.400 peak 3346 weight 0.10000E+01 volume 0.68392E-03 ppm1 3.970 ppm2 2.063 CV 1
ASSI { 3347}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HD# ))
2.500 0.800 0.800 peak 3347 weight 0.10000E+01 volume 0.37963E-02 ppm1 3.970 ppm2 2.140 CV 1
ASSI { 3351}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 29 and name HB# ))
3.500 1.500 1.500 peak 3351 weight 0.10000E+01 volume 0.51916E-03 ppm1 3.652 ppm2 2.856 CV 1
ASSI { 3352}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 29 and name HB# ))
3.800 1.800 1.800 peak 3352 weight 0.10000E+01 volume 0.33045E-03 ppm1 3.729 ppm2 2.849 CV 1
ASSI { 3353}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 94 and name HA# ))
2.900 1.000 1.000 peak 3353 weight 0.10000E+01 volume 0.16171E-02 ppm1 3.655 ppm2 4.022 CV 1
ASSI { 3354}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 94 and name HA# ))
2.500 0.800 0.800 peak 3354 weight 0.10000E+01 volume 0.36345E-02 ppm1 3.728 ppm2 4.027 CV 1
ASSI { 3355}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 95 and name HN ))
4.800 2.900 1.200 peak 3355 weight 0.10000E+01 volume 0.80212E-04 ppm1 3.735 ppm2 7.970 CV 1
ASSI { 3356}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 95 and name HN ))
3.700 1.700 1.700 peak 3356 weight 0.10000E+01 volume 0.36100E-03 ppm1 3.662 ppm2 7.970 CV 1
ASSI { 3357}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 94 and name HN ))
2.800 1.000 1.000 peak 3357 weight 0.10000E+01 volume 0.17916E-02 ppm1 3.658 ppm2 9.457 CV 1
ASSI { 3358}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 94 and name HN ))
3.000 1.100 1.100 peak 3358 weight 0.10000E+01 volume 0.13279E-02 ppm1 3.730 ppm2 9.467 CV 1
ASSI { 3359}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 119 and name HB# ))
3.500 1.500 1.500 peak 3359 weight 0.10000E+01 volume 0.54290E-03 ppm1 0.753 ppm2 1.454 CV 1
ASSI { 3362}
( segid " " and resid 116 and name HG# )
( segid " " and resid 117 and name HD% )
4.300 2.300 1.700 peak 3362 weight 0.10000E+01 volume 0.15051E-03 ppm1 0.757 ppm2 6.600 CV 1
ASSI { 3364}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 119 and name HN ))
4.000 2.000 2.000 peak 3364 weight 0.10000E+01 volume 0.24425E-03 ppm1 0.753 ppm2 7.397 CV 1
ASSI { 3370}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 113 and name HB# ))
3.800 1.800 1.800 peak 3370 weight 0.10000E+01 volume 0.33633E-03 ppm1 1.602 ppm2 2.692 CV 1
ASSI { 3372}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 76 and name HB# ))
3.500 1.600 1.600 peak 3372 weight 0.10000E+01 volume 0.47931E-03 ppm1 1.434 ppm2 2.863 CV 1
ASSI { 3378}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 112 and name HG ))
3.400 1.500 1.500 peak 3378 weight 0.10000E+01 volume 0.60319E-03 ppm1 1.602 ppm2 6.527 CV 1
ASSI { 3379}
( segid " " and resid 41 and name HB% )
( segid " " and resid 111 and name HE% )
3.100 1.100 1.100 peak 3379 weight 0.10000E+01 volume 0.18210E-02 ppm1 1.603 ppm2 6.661 CV 1
ASSI { 3383}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 114 and name HN ))
3.100 1.200 1.200 peak 3383 weight 0.10000E+01 volume 0.98621E-03 ppm1 1.605 ppm2 8.491 CV 1
ASSI { 3386}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 83 and name HD22))
2.900 1.100 1.100 peak 3386 weight 0.10000E+01 volume 0.15493E-02 ppm1 0.644 ppm2 9.015 CV 1
ASSI { 3387}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 108 and name HN ))
3.600 1.700 1.700 peak 3387 weight 0.10000E+01 volume 0.40323E-03 ppm1 0.645 ppm2 8.856 CV 1
ASSI { 3391}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 81 and name HA ))
4.300 2.300 1.700 peak 3391 weight 0.10000E+01 volume 0.14629E-03 ppm1 0.642 ppm2 5.076 CV 1
ASSI { 3392}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 83 and name HA ))
3.700 1.700 1.700 peak 3392 weight 0.10000E+01 volume 0.38609E-03 ppm1 0.641 ppm2 4.324 CV 1
ASSI { 3393}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 87 and name HD# ))
3.700 1.700 1.700 peak 3393 weight 0.10000E+01 volume 0.39827E-03 ppm1 0.647 ppm2 4.079 CV 1
ASSI { 3397}
( segid " " and resid 82 and name HG# )
(( segid " " and resid 109 and name HG1#))
3.800 1.800 1.800 peak 3397 weight 0.10000E+01 volume 0.30928E-03 ppm1 0.647 ppm2 1.351 CV 1
ASSI { 3398}
( segid " " and resid 82 and name HG# )
( segid " " and resid 107 and name HD# )
1.700 0.400 0.500 peak 3398 weight 0.10000E+01 volume 0.41813E-01 ppm1 0.643 ppm2 0.867 CV 1
ASSI { 3400}
(( segid " " and resid 115 and name HB# ))
( segid " " and resid 79 and name HE% )
2.800 1.000 1.000 peak 3400 weight 0.10000E+01 volume 0.20156E-02 ppm1 3.490 ppm2 7.224 CV 1
ASSI { 3407}
(( segid " " and resid 115 and name HB# ))
(( segid " " and resid 86 and name HB ))
3.800 1.800 1.800 peak 3407 weight 0.10000E+01 volume 0.31878E-03 ppm1 2.470 ppm2 1.744 CV 1
ASSI { 3408}
(( segid " " and resid 115 and name HB# ))
( segid " " and resid 86 and name HG# )
3.700 1.700 1.700 peak 3408 weight 0.10000E+01 volume 0.34758E-03 ppm1 3.498 ppm2 1.171 CV 1
ASSI { 3411}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HD% )
2.400 0.700 0.700 peak 3411 weight 0.10000E+01 volume 0.45383E-02 ppm1 4.363 ppm2 7.078 CV 1
ASSI { 3422}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 93 and name HG# ))
2.600 0.800 0.800 peak 3422 weight 0.10000E+01 volume 0.34559E-02 ppm1 0.566 ppm2 2.186 CV 1
ASSI { 3423}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 93 and name HG# ))
2.900 1.000 1.000 peak 3423 weight 0.10000E+01 volume 0.17671E-02 ppm1 0.566 ppm2 2.377 CV 1
ASSI { 3425}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 54 and name HD# ))
3.300 1.300 1.300 peak 3425 weight 0.10000E+01 volume 0.79789E-03 ppm1 0.567 ppm2 3.997 CV 1
ASSI { 3433}
( segid " " and resid 53 and name HG# )
(( segid " " and resid 52 and name HN ))
5.100 3.300 0.900 peak 3433 weight 0.10000E+01 volume 0.51720E-04 ppm1 0.569 ppm2 8.623 CV 1
ASSI { 3439}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 81 and name HZ ))
5.000 3.200 1.000 peak 3439 weight 0.10000E+01 volume 0.58637E-04 ppm1 0.759 ppm2 7.191 CV 1
OR { 3439}
( segid " " and resid 116 and name HG# )
( segid " " and resid 81 and name HE% )
ASSI { 3440}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 115 and name HN ))
3.600 1.700 1.700 peak 3440 weight 0.10000E+01 volume 0.41035E-03 ppm1 0.756 ppm2 7.985 CV 1
ASSI { 3441}
( segid " " and resid 116 and name HG# )
(( segid " " and resid 117 and name HN ))
3.200 1.300 1.300 peak 3441 weight 0.10000E+01 volume 0.94944E-03 ppm1 0.755 ppm2 8.227 CV 1
ASSI { 3445}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 82 and name HN ))
3.100 1.200 1.200 peak 3445 weight 0.10000E+01 volume 0.99204E-03 ppm1 0.979 ppm2 9.345 CV 1
ASSI { 3448}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 67 and name HG# ))
3.200 1.200 1.200 peak 3448 weight 0.10000E+01 volume 0.95222E-03 ppm1 4.033 ppm2 1.169 CV 1
ASSI { 3450}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 67 and name HD# ))
2.500 0.800 0.800 peak 3450 weight 0.10000E+01 volume 0.39102E-02 ppm1 4.031 ppm2 2.802 CV 1
ASSI { 3453}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 63 and name HD% )
3.700 1.700 1.700 peak 3453 weight 0.10000E+01 volume 0.39456E-03 ppm1 4.028 ppm2 6.302 CV 1
ASSI { 3457}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 78 and name HD# )
3.300 1.400 1.400 peak 3457 weight 0.10000E+01 volume 0.75298E-03 ppm1 3.939 ppm2 0.820 CV 1
ASSI { 3458}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 78 and name HG ))
4.000 2.000 2.000 peak 3458 weight 0.10000E+01 volume 0.22184E-03 ppm1 3.946 ppm2 1.085 CV 1
OR { 3458}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 78 and name HB# ))
ASSI { 3464}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
3.300 1.400 1.400 peak 3464 weight 0.10000E+01 volume 0.69775E-03 ppm1 3.946 ppm2 7.366 CV 1
ASSI { 3465}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 62 and name HD% )
3.300 1.300 1.300 peak 3465 weight 0.10000E+01 volume 0.76237E-03 ppm1 3.946 ppm2 6.871 CV 1
ASSI { 3466}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 65 and name HN ))
4.400 2.400 1.600 peak 3466 weight 0.10000E+01 volume 0.12966E-03 ppm1 3.942 ppm2 7.583 CV 1
ASSI { 3467}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HN ))
3.200 1.300 1.300 peak 3467 weight 0.10000E+01 volume 0.84785E-03 ppm1 3.943 ppm2 7.823 CV 1
ASSI { 3468}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 67 and name HN ))
4.200 2.200 1.800 peak 3468 weight 0.10000E+01 volume 0.18406E-03 ppm1 3.940 ppm2 8.533 CV 1
ASSI { 3469}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 62 and name HN ))
4.200 2.200 1.800 peak 3469 weight 0.10000E+01 volume 0.17735E-03 ppm1 3.950 ppm2 8.866 CV 1
ASSI { 3471}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 3471 weight 0.10000E+01 volume 0.87572E-03 ppm1 4.266 ppm2 7.769 CV 1
ASSI { 3472}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HN ))
3.200 1.300 1.300 peak 3472 weight 0.10000E+01 volume 0.93447E-03 ppm1 4.273 ppm2 8.667 CV 1
ASSI { 3473}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HN ))
3.400 1.400 1.400 peak 3473 weight 0.10000E+01 volume 0.64221E-03 ppm1 3.431 ppm2 8.528 CV 1
ASSI { 3474}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 68 and name HN ))
4.000 2.000 2.000 peak 3474 weight 0.10000E+01 volume 0.24549E-03 ppm1 3.432 ppm2 7.353 CV 1
ASSI { 3475}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 65 and name HA ))
3.300 1.400 1.400 peak 3475 weight 0.10000E+01 volume 0.67504E-03 ppm1 3.429 ppm2 3.958 CV 1
ASSI { 3476}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 65 and name HD# )
2.700 0.900 0.900 peak 3476 weight 0.10000E+01 volume 0.22247E-02 ppm1 3.429 ppm2 0.862 CV 1
ASSI { 3477}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HG1#))
2.700 0.900 0.900 peak 3477 weight 0.10000E+01 volume 0.22060E-02 ppm1 3.433 ppm2 0.697 CV 1
ASSI { 3486}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB# ))
2.100 0.600 0.600 peak 3486 weight 0.10000E+01 volume 0.98793E-02 ppm1 4.464 ppm2 3.269 CV 1
ASSI { 3488}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HN ))
3.500 1.500 1.500 peak 3488 weight 0.10000E+01 volume 0.53712E-03 ppm1 4.467 ppm2 9.115 CV 1
ASSI { 3498}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 31 and name HN ))
5.000 3.200 1.000 peak 3498 weight 0.10000E+01 volume 0.59359E-04 ppm1 3.706 ppm2 9.127 CV 1
ASSI { 3500}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 94 and name HA# ))
2.800 1.000 1.000 peak 3500 weight 0.10000E+01 volume 0.20534E-02 ppm1 3.699 ppm2 4.025 CV 1
ASSI { 3501}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 93 and name HG# ))
3.400 1.400 1.400 peak 3501 weight 0.10000E+01 volume 0.67308E-03 ppm1 3.700 ppm2 2.384 CV 1
ASSI { 3510}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 96 and name HN ))
3.100 1.200 1.200 peak 3510 weight 0.10000E+01 volume 0.99501E-03 ppm1 1.508 ppm2 8.405 CV 1
ASSI { 3511}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 95 and name HN ))
3.600 1.600 1.600 peak 3511 weight 0.10000E+01 volume 0.41953E-03 ppm1 1.510 ppm2 8.003 CV 1
ASSI { 3512}
( segid " " and resid 91 and name HB% )
(( segid " " and resid 90 and name HN ))
3.500 1.500 1.500 peak 3512 weight 0.10000E+01 volume 0.53381E-03 ppm1 1.507 ppm2 7.777 CV 1
ASSI { 3516}
( segid " " and resid 91 and name HB% )
( segid " " and resid 96 and name HD# )
1.900 0.400 0.400 peak 3516 weight 0.10000E+01 volume 0.23389E-01 ppm1 1.507 ppm2 0.934 CV 1
ASSI { 3518}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 33 and name HB ))
3.800 1.800 1.800 peak 3518 weight 0.10000E+01 volume 0.30279E-03 ppm1 0.409 ppm2 1.760 CV 1
ASSI { 3520}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 93 and name HG# ))
3.300 1.300 1.300 peak 3520 weight 0.10000E+01 volume 0.77404E-03 ppm1 0.410 ppm2 2.169 CV 1
ASSI { 3523}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 94 and name HA# ))
2.900 1.100 1.100 peak 3523 weight 0.10000E+01 volume 0.14561E-02 ppm1 0.411 ppm2 4.023 CV 1
ASSI { 3527}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 33 and name HN ))
3.800 1.800 1.800 peak 3527 weight 0.10000E+01 volume 0.31878E-03 ppm1 0.408 ppm2 8.894 CV 1
ASSI { 3529}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 93 and name HN ))
4.300 2.300 1.700 peak 3529 weight 0.10000E+01 volume 0.16053E-03 ppm1 0.412 ppm2 9.349 CV 1
ASSI { 3531}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HD# ))
3.000 1.100 1.100 peak 3531 weight 0.10000E+01 volume 0.12558E-02 ppm1 3.395 ppm2 2.804 CV 1
ASSI { 3536}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 33 and name HN ))
4.400 2.400 1.600 peak 3536 weight 0.10000E+01 volume 0.13451E-03 ppm1 0.864 ppm2 8.909 CV 1
ASSI { 3537}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 27 and name HN ))
3.400 1.400 1.400 peak 3537 weight 0.10000E+01 volume 0.61847E-03 ppm1 0.874 ppm2 8.041 CV 1
ASSI { 3538}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 25 and name HN ))
3.800 1.800 1.800 peak 3538 weight 0.10000E+01 volume 0.33726E-03 ppm1 0.874 ppm2 7.406 CV 1
ASSI { 3543}
( segid " " and resid 23 and name HG# )
(( segid " " and resid 20 and name HA# ))
3.300 1.400 1.400 peak 3543 weight 0.10000E+01 volume 0.72305E-03 ppm1 0.871 ppm2 3.087 CV 1
ASSI { 3550}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 113 and name HN ))
3.200 1.300 1.300 peak 3550 weight 0.10000E+01 volume 0.81038E-03 ppm1 1.106 ppm2 9.432 CV 1
ASSI { 3552}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 114 and name HN ))
4.000 2.000 2.000 peak 3552 weight 0.10000E+01 volume 0.21824E-03 ppm1 1.110 ppm2 8.516 CV 1
ASSI { 3553}
( segid " " and resid 74 and name HB% )
(( segid " " and resid 76 and name HN ))
3.500 1.500 1.500 peak 3553 weight 0.10000E+01 volume 0.56117E-03 ppm1 1.396 ppm2 7.472 CV 1
ASSI { 3563}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 46 and name HN ))
4.100 2.100 1.900 peak 3563 weight 0.10000E+01 volume 0.19646E-03 ppm1 0.741 ppm2 8.120 CV 1
ASSI { 3564}
( segid " " and resid 70 and name HG# )
(( segid " " and resid 72 and name HN ))
3.800 1.800 1.800 peak 3564 weight 0.10000E+01 volume 0.30041E-03 ppm1 0.744 ppm2 7.799 CV 1
ASSI { 3571}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 72 and name HD# )
3.300 1.400 1.400 peak 3571 weight 0.10000E+01 volume 0.70013E-03 ppm1 4.445 ppm2 0.878 CV 1
ASSI { 3573}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HG1#))
3.000 1.100 1.100 peak 3573 weight 0.10000E+01 volume 0.14263E-02 ppm1 4.450 ppm2 1.449 CV 1
ASSI { 3580}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.200 1.300 1.300 peak 3580 weight 0.10000E+01 volume 0.86096E-03 ppm1 3.767 ppm2 7.137 CV 1
ASSI { 3582}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG# ))
2.500 0.800 0.800 peak 3582 weight 0.10000E+01 volume 0.35301E-02 ppm1 3.764 ppm2 2.460 CV 1
ASSI { 3592}
( segid " " and resid 38 and name HB% )
( segid " " and resid 81 and name HD% )
3.200 1.300 1.300 peak 3592 weight 0.10000E+01 volume 0.82999E-03 ppm1 1.205 ppm2 6.931 CV 1
ASSI { 3594}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.900 1.000 1.000 peak 3594 weight 0.10000E+01 volume 0.17116E-02 ppm1 3.885 ppm2 8.300 CV 1
ASSI { 3595}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 3595 weight 0.10000E+01 volume 0.12954E-02 ppm1 3.886 ppm2 7.756 CV 1
ASSI { 3596}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HA ))
4.000 2.000 2.000 peak 3596 weight 0.10000E+01 volume 0.21658E-03 ppm1 3.881 ppm2 3.181 CV 1
ASSI { 3598}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HG# ))
4.200 2.200 1.800 peak 3598 weight 0.10000E+01 volume 0.18448E-03 ppm1 4.114 ppm2 1.364 CV 1
ASSI { 3601}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HG# ))
2.100 0.500 0.500 peak 3601 weight 0.10000E+01 volume 0.11889E-01 ppm1 4.115 ppm2 2.469 CV 1
ASSI { 3603}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 106 and name HZ ))
3.900 1.900 1.900 peak 3603 weight 0.10000E+01 volume 0.28637E-03 ppm1 4.119 ppm2 6.944 CV 1
ASSI { 3604}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 3604 weight 0.10000E+01 volume 0.15115E-02 ppm1 4.115 ppm2 7.460 CV 1
ASSI { 3606}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
3.200 1.300 1.300 peak 3606 weight 0.10000E+01 volume 0.81120E-03 ppm1 4.115 ppm2 9.510 CV 1
ASSI { 3607}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HA# ))
3.500 1.500 1.500 peak 3607 weight 0.10000E+01 volume 0.54652E-03 ppm1 3.181 ppm2 4.070 CV 1
ASSI { 3609}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 25 and name HN ))
2.600 0.900 0.900 peak 3609 weight 0.10000E+01 volume 0.29802E-02 ppm1 3.184 ppm2 7.383 CV 1
OR { 3609}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
ASSI { 3611}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 23 and name HN ))
3.700 1.700 1.700 peak 3611 weight 0.10000E+01 volume 0.38733E-03 ppm1 3.184 ppm2 8.303 CV 1
ASSI { 3616}
( segid " " and resid 66 and name HG# )
( segid " " and resid 63 and name HD% )
4.500 2.600 1.500 peak 3616 weight 0.10000E+01 volume 0.10922E-03 ppm1 0.361 ppm2 6.286 CV 1
ASSI { 3618}
( segid " " and resid 66 and name HG# )
(( segid " " and resid 69 and name HD# ))
3.200 1.300 1.300 peak 3618 weight 0.10000E+01 volume 0.81493E-03 ppm1 0.362 ppm2 3.291 CV 1
ASSI { 3620}
( segid " " and resid 66 and name HG# )
(( segid " " and resid 70 and name HG1#))
3.300 1.400 1.400 peak 3620 weight 0.10000E+01 volume 0.74886E-03 ppm1 0.363 ppm2 1.337 CV 1
ASSI { 3623}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 109 and name HN ))
4.200 2.200 1.800 peak 3623 weight 0.10000E+01 volume 0.16858E-03 ppm1 0.650 ppm2 9.389 CV 1
ASSI { 3624}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 34 and name HN ))
2.800 1.000 1.000 peak 3624 weight 0.10000E+01 volume 0.21621E-02 ppm1 0.659 ppm2 8.773 CV 1
ASSI { 3625}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 82 and name HN ))
3.700 1.800 1.800 peak 3625 weight 0.10000E+01 volume 0.34501E-03 ppm1 1.627 ppm2 9.354 CV 1
ASSI { 3627}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 36 and name HN ))
3.500 1.500 1.500 peak 3627 weight 0.10000E+01 volume 0.50884E-03 ppm1 1.628 ppm2 8.697 CV 1
ASSI { 3628}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 111 and name HN ))
3.800 1.800 1.800 peak 3628 weight 0.10000E+01 volume 0.33448E-03 ppm1 1.630 ppm2 8.503 CV 1
ASSI { 3629}
( segid " " and resid 34 and name HG# )
( segid " " and resid 5 and name HE% )
4.000 2.000 2.000 peak 3629 weight 0.10000E+01 volume 0.23062E-03 ppm1 0.661 ppm2 7.407 CV 1
ASSI { 3630}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 8 and name HN ))
2.400 0.700 0.700 peak 3630 weight 0.10000E+01 volume 0.48666E-02 ppm1 0.659 ppm2 6.914 CV 1
ASSI { 3633}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 35 and name HA ))
4.500 2.500 1.500 peak 3633 weight 0.10000E+01 volume 0.11273E-03 ppm1 0.654 ppm2 5.718 CV 1
ASSI { 3636}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 39 and name HD# ))
3.500 1.500 1.500 peak 3636 weight 0.10000E+01 volume 0.52866E-03 ppm1 1.627 ppm2 3.845 CV 1
ASSI { 3641}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 49 and name HD# ))
2.600 0.800 0.800 peak 3641 weight 0.10000E+01 volume 0.30608E-02 ppm1 0.652 ppm2 2.009 CV 1
ASSI { 3648}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HN ))
3.300 1.300 1.300 peak 3648 weight 0.10000E+01 volume 0.79169E-03 ppm1 4.066 ppm2 7.397 CV 1
ASSI { 3650}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 97 and name HB# ))
4.000 2.000 2.000 peak 3650 weight 0.10000E+01 volume 0.22061E-03 ppm1 4.065 ppm2 3.285 CV 1
ASSI { 3655}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 99 and name HN ))
3.900 1.900 1.900 peak 3655 weight 0.10000E+01 volume 0.25458E-03 ppm1 4.153 ppm2 7.406 CV 1
ASSI { 3658}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HG# ))
2.000 0.500 0.500 peak 3658 weight 0.10000E+01 volume 0.25671E-01 ppm1 4.155 ppm2 2.477 CV 1
ASSI { 3659}
(( segid " " and resid 95 and name HA ))
( segid " " and resid 96 and name HD# )
3.600 1.600 1.600 peak 3659 weight 0.10000E+01 volume 0.43079E-03 ppm1 4.156 ppm2 0.910 CV 1
ASSI { 3663}
(( segid " " and resid 117 and name HA ))
( segid " " and resid 81 and name HE% )
3.900 1.900 1.900 peak 3663 weight 0.10000E+01 volume 0.27160E-03 ppm1 3.720 ppm2 7.178 CV 1
OR { 3663}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 81 and name HZ ))
ASSI { 3664}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 119 and name HN ))
4.000 2.000 2.000 peak 3664 weight 0.10000E+01 volume 0.23341E-03 ppm1 3.721 ppm2 7.404 CV 1
ASSI { 3665}
(( segid " " and resid 103 and name HA ))
( segid " " and resid 13 and name HE% )
4.700 2.700 1.300 peak 3665 weight 0.10000E+01 volume 0.91051E-04 ppm1 4.097 ppm2 7.131 CV 1
ASSI { 3668}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 36 and name HN ))
3.900 1.900 1.900 peak 3668 weight 0.10000E+01 volume 0.25581E-03 ppm1 0.470 ppm2 8.688 CV 1
ASSI { 3669}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 111 and name HN ))
3.400 1.400 1.400 peak 3669 weight 0.10000E+01 volume 0.66472E-03 ppm1 0.473 ppm2 8.507 CV 1
ASSI { 3670}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 80 and name HN ))
4.000 2.000 2.000 peak 3670 weight 0.10000E+01 volume 0.23166E-03 ppm1 0.474 ppm2 7.870 CV 1
ASSI { 3671}
( segid " " and resid 109 and name HG# )
( segid " " and resid 5 and name HE% )
4.100 2.100 1.900 peak 3671 weight 0.10000E+01 volume 0.19687E-03 ppm1 0.468 ppm2 7.421 CV 1
ASSI { 3674}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 35 and name HA ))
3.500 1.500 1.500 peak 3674 weight 0.10000E+01 volume 0.50305E-03 ppm1 0.474 ppm2 5.730 CV 1
ASSI { 3676}
( segid " " and resid 109 and name HG# )
(( segid " " and resid 111 and name HB# ))
4.500 2.500 1.500 peak 3676 weight 0.10000E+01 volume 0.11758E-03 ppm1 0.473 ppm2 3.286 CV 1
ASSI { 3681}
( segid " " and resid 109 and name HG# )
( segid " " and resid 109 and name HD# )
1.900 0.400 0.400 peak 3681 weight 0.10000E+01 volume 0.21502E-01 ppm1 0.470 ppm2 0.321 CV 1
ASSI { 3684}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 87 and name HG# ))
3.200 1.300 1.300 peak 3684 weight 0.10000E+01 volume 0.88708E-03 ppm1 1.162 ppm2 2.154 CV 1
ASSI { 3685}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 79 and name HB# ))
3.100 1.200 1.200 peak 3685 weight 0.10000E+01 volume 0.10341E-02 ppm1 1.164 ppm2 2.588 CV 1
ASSI { 3686}
( segid " " and resid 86 and name HG# )
(( segid " " and resid 80 and name HB# ))
3.900 1.900 1.900 peak 3686 weight 0.10000E+01 volume 0.25726E-03 ppm1 1.160 ppm2 2.806 CV 1
ASSI { 3693}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 57 and name HD# )
3.300 1.400 1.400 peak 3693 weight 0.10000E+01 volume 0.68484E-03 ppm1 4.276 ppm2 1.005 CV 1
ASSI { 3698}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.700 0.900 0.900 peak 3698 weight 0.10000E+01 volume 0.23376E-02 ppm1 4.199 ppm2 7.105 CV 1
ASSI { 3700}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HG1#))
4.300 2.300 1.700 peak 3700 weight 0.10000E+01 volume 0.14577E-03 ppm1 3.939 ppm2 0.705 CV 1
ASSI { 3708}
(( segid " " and resid 115 and name HA ))
( segid " " and resid 86 and name HG# )
4.400 2.500 1.600 peak 3708 weight 0.10000E+01 volume 0.12398E-03 ppm1 3.397 ppm2 1.166 CV 1
ASSI { 3710}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 98 and name HB# ))
3.700 1.700 1.700 peak 3710 weight 0.10000E+01 volume 0.39559E-03 ppm1 4.004 ppm2 2.283 CV 1
ASSI { 3714}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HB# ))
3.600 1.600 1.600 peak 3714 weight 0.10000E+01 volume 0.41851E-03 ppm1 3.818 ppm2 1.736 CV 1
ASSI { 3716}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 104 and name HA ))
2.200 0.600 0.600 peak 3716 weight 0.10000E+01 volume 0.80333E-02 ppm1 4.453 ppm2 4.130 CV 1
ASSI { 3719}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG# ))
2.400 0.700 0.700 peak 3719 weight 0.10000E+01 volume 0.54604E-02 ppm1 4.457 ppm2 1.818 CV 1
ASSI { 3721}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB# ))
2.500 0.800 0.800 peak 3721 weight 0.10000E+01 volume 0.40556E-02 ppm1 4.454 ppm2 0.907 CV 1
ASSI { 3723}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
3.500 1.600 1.600 peak 3723 weight 0.10000E+01 volume 0.48612E-03 ppm1 4.450 ppm2 8.851 CV 1
ASSI { 3726}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 28 and name HD# ))
4.500 2.500 1.500 peak 3726 weight 0.10000E+01 volume 0.12223E-03 ppm1 3.971 ppm2 3.281 CV 1
ASSI { 3727}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 60 and name HN ))
3.600 1.700 1.700 peak 3727 weight 0.10000E+01 volume 0.40457E-03 ppm1 4.430 ppm2 8.897 CV 1
ASSI { 3730}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HB# ))
2.000 0.500 0.500 peak 3730 weight 0.10000E+01 volume 0.13946E-01 ppm1 4.431 ppm2 3.907 CV 1
ASSI { 3732}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 82 and name HG# )
3.900 1.900 1.900 peak 3732 weight 0.10000E+01 volume 0.25943E-03 ppm1 4.254 ppm2 0.647 CV 1
ASSI { 3734}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 100 and name HN ))
3.600 1.700 1.700 peak 3734 weight 0.10000E+01 volume 0.40942E-03 ppm1 4.253 ppm2 8.150 CV 1
ASSI { 3736}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 113 and name HN ))
2.800 1.000 1.000 peak 3736 weight 0.10000E+01 volume 0.19967E-02 ppm1 1.136 ppm2 9.435 CV 1
ASSI { 3737}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 112 and name HN ))
3.100 1.200 1.200 peak 3737 weight 0.10000E+01 volume 0.98563E-03 ppm1 1.135 ppm2 9.287 CV 1
ASSI { 3741}
( segid " " and resid 43 and name HD# )
(( segid " " and resid 111 and name HB# ))
3.600 1.600 1.600 peak 3741 weight 0.10000E+01 volume 0.46961E-03 ppm1 1.135 ppm2 3.258 CV 1
ASSI { 3747}
( segid " " and resid 43 and name HD# )
( segid " " and resid 66 and name HG# )
3.200 1.300 1.300 peak 3747 weight 0.10000E+01 volume 0.92662E-03 ppm1 1.138 ppm2 0.346 CV 1
ASSI { 3749}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
3.900 1.900 1.900 peak 3749 weight 0.10000E+01 volume 0.29194E-03 ppm1 3.943 ppm2 7.115 CV 1
ASSI { 3751}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 3751 weight 0.10000E+01 volume 0.14373E-02 ppm1 3.948 ppm2 8.079 CV 1
ASSI { 3754}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 93 and name HG# ))
2.200 0.600 0.600 peak 3754 weight 0.10000E+01 volume 0.79416E-02 ppm1 0.984 ppm2 2.184 CV 1
ASSI { 3760}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 97 and name HN ))
3.100 1.200 1.200 peak 3760 weight 0.10000E+01 volume 0.11464E-02 ppm1 0.987 ppm2 9.013 CV 1
ASSI { 3763}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 94 and name HN ))
3.300 1.400 1.400 peak 3763 weight 0.10000E+01 volume 0.73326E-03 ppm1 0.984 ppm2 9.479 CV 1
ASSI { 3764}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 101 and name HN ))
2.900 1.100 1.100 peak 3764 weight 0.10000E+01 volume 0.14902E-02 ppm1 4.267 ppm2 8.420 CV 1
ASSI { 3773}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HG# ))
3.000 1.100 1.100 peak 3773 weight 0.10000E+01 volume 0.23728E-02 ppm1 4.160 ppm2 2.508 CV 1
ASSI { 3775}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HD# ))
1.900 0.500 0.500 peak 3775 weight 0.10000E+01 volume 0.18501E-01 ppm1 4.158 ppm2 3.359 CV 1
ASSI { 3777}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 30 and name HN ))
3.900 1.900 1.900 peak 3777 weight 0.10000E+01 volume 0.26830E-03 ppm1 4.151 ppm2 7.810 CV 1
ASSI { 3778}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
3.600 1.600 1.600 peak 3778 weight 0.10000E+01 volume 0.42532E-03 ppm1 4.165 ppm2 8.080 CV 1
ASSI { 3779}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 3779 weight 0.10000E+01 volume 0.17627E-02 ppm1 4.160 ppm2 9.131 CV 1
ASSI { 3781}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB# ))
2.400 0.700 0.700 peak 3781 weight 0.10000E+01 volume 0.47893E-02 ppm1 4.464 ppm2 2.830 CV 1
ASSI { 3787}
( segid " " and resid 70 and name HD# )
(( segid " " and resid 67 and name HN ))
4.500 2.500 1.500 peak 3787 weight 0.10000E+01 volume 0.12141E-03 ppm1 0.465 ppm2 8.543 CV 1
ASSI { 3788}
( segid " " and resid 70 and name HD# )
(( segid " " and resid 44 and name HN ))
3.200 1.300 1.300 peak 3788 weight 0.10000E+01 volume 0.84621E-03 ppm1 0.464 ppm2 8.304 CV 1
ASSI { 3803}
( segid " " and resid 70 and name HD# )
(( segid " " and resid 43 and name HG1#))
3.200 1.300 1.300 peak 3803 weight 0.10000E+01 volume 0.84858E-03 ppm1 0.466 ppm2 1.440 CV 1
ASSI { 3806}
( segid " " and resid 70 and name HD# )
( segid " " and resid 72 and name HD# )
1.700 0.400 0.500 peak 3806 weight 0.10000E+01 volume 0.42986E-01 ppm1 0.465 ppm2 0.872 CV 1
ASSI { 3807}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 40 and name HD# ))
2.300 0.700 0.700 peak 3807 weight 0.10000E+01 volume 0.57788E-02 ppm1 4.050 ppm2 1.600 CV 1
ASSI { 3812}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 3812 weight 0.10000E+01 volume 0.10064E-02 ppm1 4.028 ppm2 7.397 CV 1
ASSI { 3814}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 39 and name HG# ))
3.000 1.100 1.100 peak 3814 weight 0.10000E+01 volume 0.12384E-02 ppm1 4.074 ppm2 2.017 CV 1
ASSI { 3816}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 39 and name HB# ))
3.700 1.700 1.700 peak 3816 weight 0.10000E+01 volume 0.36936E-03 ppm1 4.082 ppm2 2.334 CV 1
ASSI { 3817}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 39 and name HD# ))
3.600 1.600 1.600 peak 3817 weight 0.10000E+01 volume 0.46331E-03 ppm1 4.078 ppm2 3.369 CV 1
ASSI { 3819}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 3819 weight 0.10000E+01 volume 0.99568E-03 ppm1 4.030 ppm2 8.041 CV 1
ASSI { 3820}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HB# ))
3.400 1.500 1.500 peak 3820 weight 0.10000E+01 volume 0.58368E-03 ppm1 4.223 ppm2 1.700 CV 1
OR { 3820}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HG ))
ASSI { 3822}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HB# ))
3.800 1.800 1.800 peak 3822 weight 0.10000E+01 volume 0.34108E-03 ppm1 4.216 ppm2 1.358 CV 1
ASSI { 3826}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 23 and name HG1#))
1.900 0.500 0.500 peak 3826 weight 0.10000E+01 volume 0.18959E-01 ppm1 0.880 ppm2 1.815 CV 1
OR { 3826}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 23 and name HB ))
ASSI { 3834}
( segid " " and resid 23 and name HD# )
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 3834 weight 0.10000E+01 volume 0.55457E-03 ppm1 0.881 ppm2 9.515 CV 1
ASSI { 3835}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 38 and name HB% )
2.700 0.900 0.900 peak 3835 weight 0.10000E+01 volume 0.25801E-02 ppm1 3.068 ppm2 1.201 CV 1
OR { 3835}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 43 and name HD# )
ASSI { 3841}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 94 and name HN ))
3.000 1.100 1.100 peak 3841 weight 0.10000E+01 volume 0.13573E-02 ppm1 4.349 ppm2 9.465 CV 1
ASSI { 3844}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HG# ))
2.900 1.100 1.100 peak 3844 weight 0.10000E+01 volume 0.15195E-02 ppm1 4.352 ppm2 2.196 CV 1
ASSI { 3849}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG# ))
2.200 0.600 0.600 peak 3849 weight 0.10000E+01 volume 0.81199E-02 ppm1 4.486 ppm2 1.703 CV 1
ASSI { 3851}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB# ))
2.100 0.500 0.500 peak 3851 weight 0.10000E+01 volume 0.12694E-01 ppm1 4.487 ppm2 2.005 CV 1
ASSI { 3857}
(( segid " " and resid 84 and name HA ))
( segid " " and resid 81 and name HD% )
3.000 1.100 1.100 peak 3857 weight 0.10000E+01 volume 0.13143E-02 ppm1 4.054 ppm2 6.908 CV 1
ASSI { 3862}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HB# ))
2.500 0.800 0.800 peak 3862 weight 0.10000E+01 volume 0.40088E-02 ppm1 4.211 ppm2 1.667 CV 1
OR { 3862}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HD# ))
ASSI { 3863}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 119 and name HD# )
3.600 1.600 1.600 peak 3863 weight 0.10000E+01 volume 0.43420E-03 ppm1 4.215 ppm2 0.807 CV 1
ASSI { 3867}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 115 and name HB# ))
2.200 0.600 0.600 peak 3867 weight 0.10000E+01 volume 0.81190E-02 ppm1 0.823 ppm2 3.481 CV 1
ASSI { 3870}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 80 and name HN ))
4.300 2.400 1.700 peak 3870 weight 0.10000E+01 volume 0.14184E-03 ppm1 0.825 ppm2 7.877 CV 1
ASSI { 3871}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 115 and name HN ))
3.700 1.800 1.800 peak 3871 weight 0.10000E+01 volume 0.34501E-03 ppm1 0.823 ppm2 7.989 CV 1
ASSI { 3873}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 54 and name HG# ))
5.000 3.100 1.000 peak 3873 weight 0.10000E+01 volume 0.63385E-04 ppm1 4.285 ppm2 1.879 CV 1
ASSI { 3874}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 58 and name HG# )
2.800 1.000 1.000 peak 3874 weight 0.10000E+01 volume 0.21569E-02 ppm1 4.278 ppm2 1.263 CV 1
ASSI { 3878}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 73 and name HA ))
3.400 1.500 1.500 peak 3878 weight 0.10000E+01 volume 0.58316E-03 ppm1 3.867 ppm2 4.370 CV 1
ASSI { 3881}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HN ))
3.200 1.300 1.300 peak 3881 weight 0.10000E+01 volume 0.92456E-03 ppm1 3.865 ppm2 8.786 CV 1
ASSI { 3892}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 74 and name HN ))
2.700 0.900 0.900 peak 3892 weight 0.10000E+01 volume 0.25176E-02 ppm1 4.368 ppm2 8.768 CV 1
ASSI { 3897}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 82 and name HA ))
3.300 1.400 1.400 peak 3897 weight 0.10000E+01 volume 0.73481E-03 ppm1 4.325 ppm2 4.556 CV 1
ASSI { 3905}
( segid " " and resid 109 and name HD# )
( segid " " and resid 80 and name HE% )
4.200 2.200 1.800 peak 3905 weight 0.10000E+01 volume 0.16682E-03 ppm1 0.300 ppm2 6.640 CV 1
ASSI { 3906}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 62 and name HZ ))
3.500 1.600 1.600 peak 3906 weight 0.10000E+01 volume 0.48024E-03 ppm1 0.304 ppm2 6.262 CV 1
ASSI { 3907}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 80 and name HB# ))
3.100 1.200 1.200 peak 3907 weight 0.10000E+01 volume 0.11702E-02 ppm1 0.304 ppm2 2.940 CV 1
ASSI { 3909}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 87 and name HB# ))
3.300 1.300 1.300 peak 3909 weight 0.10000E+01 volume 0.77456E-03 ppm1 0.304 ppm2 2.150 CV 1
OR { 3909}
( segid " " and resid 109 and name HD# )
(( segid " " and resid 87 and name HG# ))
ASSI { 3914}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 72 and name HG ))
3.900 1.900 1.900 peak 3914 weight 0.10000E+01 volume 0.27192E-03 ppm1 4.546 ppm2 1.689 CV 1
OR { 3914}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 72 and name HB# ))
ASSI { 3916}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 79 and name HN ))
2.100 0.500 0.500 peak 3916 weight 0.10000E+01 volume 0.12161E-01 ppm1 4.549 ppm2 9.163 CV 1
ASSI { 3921}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 48 and name HN ))
3.200 1.200 1.200 peak 3921 weight 0.10000E+01 volume 0.95243E-03 ppm1 4.423 ppm2 7.457 CV 1
ASSI { 3922}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HB# ))
3.400 1.500 1.500 peak 3922 weight 0.10000E+01 volume 0.56664E-03 ppm1 4.416 ppm2 2.809 CV 1
ASSI { 3931}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 106 and name HN ))
4.400 2.400 1.600 peak 3931 weight 0.10000E+01 volume 0.12770E-03 ppm1 4.139 ppm2 8.707 CV 1
ASSI { 3932}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 105 and name HN ))
2.800 1.000 1.000 peak 3932 weight 0.10000E+01 volume 0.21032E-02 ppm1 4.136 ppm2 7.846 CV 1
ASSI { 3938}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HB# ))
2.400 0.700 0.700 peak 3938 weight 0.10000E+01 volume 0.55884E-02 ppm1 4.141 ppm2 2.419 CV 1
ASSI { 3940}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 17 and name HB# ))
2.800 0.900 0.900 peak 3940 weight 0.10000E+01 volume 0.21974E-02 ppm1 4.139 ppm2 0.902 CV 1
ASSI { 3941}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 113 and name HN ))
3.500 1.500 1.500 peak 3941 weight 0.10000E+01 volume 0.53919E-03 ppm1 4.489 ppm2 9.421 CV 1
ASSI { 3945}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 95 and name HB# ))
3.100 1.200 1.200 peak 3945 weight 0.10000E+01 volume 0.10347E-02 ppm1 4.517 ppm2 2.416 CV 1
ASSI { 3951}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 72 and name HD# )
3.300 1.300 1.300 peak 3951 weight 0.10000E+01 volume 0.79459E-03 ppm1 4.042 ppm2 0.863 CV 1
ASSI { 3956}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 57 and name HB# ))
3.100 1.200 1.200 peak 3956 weight 0.10000E+01 volume 0.11322E-02 ppm1 3.548 ppm2 1.475 CV 1
ASSI { 3958}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 15 and name HD# ))
3.700 1.800 1.800 peak 3958 weight 0.10000E+01 volume 0.34676E-03 ppm1 4.011 ppm2 1.749 CV 1
ASSI { 3962}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 54 and name HB# ))
3.000 1.100 1.100 peak 3962 weight 0.10000E+01 volume 0.13614E-02 ppm1 4.000 ppm2 2.552 CV 1
ASSI { 3980}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HD# ))
2.100 0.500 0.500 peak 3980 weight 0.10000E+01 volume 0.12383E-01 ppm1 4.418 ppm2 3.852 CV 1
ASSI { 3981}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HD# ))
2.300 0.600 0.600 peak 3981 weight 0.10000E+01 volume 0.72698E-02 ppm1 4.418 ppm2 3.358 CV 1
ASSI { 3982}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HG# ))
2.800 1.000 1.000 peak 3982 weight 0.10000E+01 volume 0.24502E-02 ppm1 4.422 ppm2 2.013 CV 1
ASSI { 3989}
(( segid " " and resid 87 and name HD# ))
( segid " " and resid 59 and name HG# )
3.800 1.800 1.800 peak 3989 weight 0.10000E+01 volume 0.32653E-03 ppm1 4.091 ppm2 0.939 CV 1
ASSI { 3998}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 80 and name HB# ))
2.800 0.900 0.900 peak 3998 weight 0.10000E+01 volume 0.21749E-02 ppm1 4.092 ppm2 2.929 CV 1
ASSI { 3999}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 80 and name HB# ))
3.500 1.500 1.500 peak 3999 weight 0.10000E+01 volume 0.54476E-03 ppm1 3.944 ppm2 2.809 CV 1
ASSI { 4000}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 80 and name HB# ))
3.100 1.200 1.200 peak 4000 weight 0.10000E+01 volume 0.10465E-02 ppm1 3.938 ppm2 2.928 CV 1
ASSI { 4003}
(( segid " " and resid 87 and name HD# ))
(( segid " " and resid 82 and name HN ))
3.100 1.200 1.200 peak 4003 weight 0.10000E+01 volume 0.11086E-02 ppm1 3.948 ppm2 9.348 CV 1
ASSI { 4010}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 50 and name HE# ))
2.900 1.000 1.000 peak 4010 weight 0.10000E+01 volume 0.17243E-02 ppm1 -0.565 ppm2 2.761 CV 1
ASSI { 4013}
( segid " " and resid 34 and name HD# )
( segid " " and resid 7 and name HD% )
2.600 0.800 0.800 peak 4013 weight 0.10000E+01 volume 0.32217E-02 ppm1 -0.566 ppm2 7.068 CV 1
ASSI { 4015}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 4015 weight 0.10000E+01 volume 0.11763E-02 ppm1 -0.569 ppm2 8.778 CV 1
ASSI { 4017}
( segid " " and resid 34 and name HD# )
(( segid " " and resid 51 and name HN ))
2.900 1.000 1.000 peak 4017 weight 0.10000E+01 volume 0.16248E-02 ppm1 -0.564 ppm2 9.505 CV 1
ASSI { 4019}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 31 and name HG# )
2.700 0.900 0.900 peak 4019 weight 0.10000E+01 volume 0.22469E-02 ppm1 3.339 ppm2 0.382 CV 1
ASSI { 4021}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 23 and name HG# )
3.000 1.100 1.100 peak 4021 weight 0.10000E+01 volume 0.13790E-02 ppm1 3.337 ppm2 0.862 CV 1
OR { 4021}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 23 and name HD# )
ASSI { 4025}
(( segid " " and resid 32 and name HD# ))
(( segid " " and resid 24 and name HD# ))
3.000 1.200 1.200 peak 4025 weight 0.10000E+01 volume 0.12062E-02 ppm1 3.385 ppm2 2.797 CV 1
ASSI { 4027}
(( segid " " and resid 32 and name HD# ))
(( segid " " and resid 31 and name HA ))
2.100 0.500 0.500 peak 4027 weight 0.10000E+01 volume 0.12771E-01 ppm1 3.343 ppm2 4.160 CV 1
ASSI { 4030}
(( segid " " and resid 32 and name HD# ))
( segid " " and resid 97 and name HD% )
3.200 1.300 1.300 peak 4030 weight 0.10000E+01 volume 0.90556E-03 ppm1 3.344 ppm2 6.932 CV 1
ASSI { 4031}
(( segid " " and resid 32 and name HD# ))
(( segid " " and resid 31 and name HN ))
4.000 2.000 2.000 peak 4031 weight 0.10000E+01 volume 0.24125E-03 ppm1 3.341 ppm2 9.132 CV 1
ASSI { 4032}
(( segid " " and resid 39 and name HD# ))
(( segid " " and resid 39 and name HB# ))
3.200 1.300 1.300 peak 4032 weight 0.10000E+01 volume 0.92218E-03 ppm1 3.351 ppm2 2.311 CV 1
ASSI { 4035}
(( segid " " and resid 39 and name HD# ))
( segid " " and resid 117 and name HE% )
2.800 1.000 1.000 peak 4035 weight 0.10000E+01 volume 0.18741E-02 ppm1 3.363 ppm2 6.600 CV 1
ASSI { 4038}
(( segid " " and resid 88 and name HD# ))
( segid " " and resid 96 and name HD# )
2.900 1.000 1.000 peak 4038 weight 0.10000E+01 volume 0.16332E-02 ppm1 3.975 ppm2 0.925 CV 1
ASSI { 4039}
(( segid " " and resid 88 and name HD# ))
( segid " " and resid 96 and name HD# )
2.700 0.900 0.900 peak 4039 weight 0.10000E+01 volume 0.23509E-02 ppm1 3.588 ppm2 0.910 CV 1
ASSI { 4041}
(( segid " " and resid 88 and name HD# ))
(( segid " " and resid 87 and name HG# ))
3.600 1.700 1.700 peak 4041 weight 0.10000E+01 volume 0.40550E-03 ppm1 3.582 ppm2 1.775 CV 1
ASSI { 4044}
(( segid " " and resid 88 and name HD# ))
(( segid " " and resid 88 and name HB# ))
2.900 1.000 1.000 peak 4044 weight 0.10000E+01 volume 0.17030E-02 ppm1 3.581 ppm2 2.451 CV 1
ASSI { 4055}
(( segid " " and resid 39 and name HD# ))
(( segid " " and resid 38 and name HN ))
3.600 1.600 1.600 peak 4055 weight 0.10000E+01 volume 0.43812E-03 ppm1 3.861 ppm2 8.915 CV 1
ASSI { 4057}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 27 and name HN ))
3.000 1.100 1.100 peak 4057 weight 0.10000E+01 volume 0.14184E-02 ppm1 3.292 ppm2 8.051 CV 1
ASSI { 4058}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 27 and name HN ))
3.300 1.300 1.300 peak 4058 weight 0.10000E+01 volume 0.77064E-03 ppm1 3.623 ppm2 8.041 CV 1
ASSI { 4067}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 27 and name HB# ))
3.100 1.200 1.200 peak 4067 weight 0.10000E+01 volume 0.11203E-02 ppm1 3.625 ppm2 2.680 CV 1
ASSI { 4068}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 29 and name HB# ))
3.300 1.300 1.300 peak 4068 weight 0.10000E+01 volume 0.78117E-03 ppm1 3.624 ppm2 2.859 CV 1
ASSI { 4071}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 26 and name HB# ))
4.700 2.800 1.300 peak 4071 weight 0.10000E+01 volume 0.87335E-04 ppm1 3.624 ppm2 1.465 CV 1
ASSI { 4075}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 35 and name HB ))
3.000 1.200 1.200 peak 4075 weight 0.10000E+01 volume 0.12166E-02 ppm1 -0.118 ppm2 2.049 CV 1
ASSI { 4077}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 80 and name HZ ))
3.000 3.000 3.000 peak 4077 weight 0.10000E+01 volume 0.32732E-02 ppm1 -0.121 ppm2 6.392 CV 1
ASSI { 4081}
( segid " " and resid 66 and name HD# )
(( segid " " and resid 67 and name HN ))
3.600 1.600 1.600 peak 4081 weight 0.10000E+01 volume 0.46641E-03 ppm1 -0.118 ppm2 8.529 CV 1
ASSI { 4082}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 110 and name HN ))
2.900 1.000 1.000 peak 4082 weight 0.10000E+01 volume 0.16487E-02 ppm1 6.510 ppm2 9.003 CV 1
ASSI { 4084}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 5 and name HE% )
3.200 1.300 1.300 peak 4084 weight 0.10000E+01 volume 0.83278E-03 ppm1 6.504 ppm2 7.423 CV 1
ASSI { 4085}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 5 and name HD% )
3.600 1.600 1.600 peak 4085 weight 0.10000E+01 volume 0.43245E-03 ppm1 6.505 ppm2 7.244 CV 1
OR { 4085}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 5 and name HZ ))
ASSI { 4086}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 111 and name HD% )
2.800 1.000 1.000 peak 4086 weight 0.10000E+01 volume 0.19408E-02 ppm1 6.511 ppm2 6.832 CV 1
ASSI { 4089}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 81 and name HB# ))
3.900 1.900 1.900 peak 4089 weight 0.10000E+01 volume 0.25364E-03 ppm1 6.512 ppm2 2.809 CV 1
ASSI { 4092}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 36 and name HB# ))
4.300 2.300 1.700 peak 4092 weight 0.10000E+01 volume 0.14381E-03 ppm1 6.510 ppm2 1.899 CV 1
ASSI { 4094}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 86 and name HG# )
5.100 3.200 0.900 peak 4094 weight 0.10000E+01 volume 0.56985E-04 ppm1 6.006 ppm2 1.140 CV 1
ASSI { 4095}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 110 and name HB% )
4.100 2.100 1.900 peak 4095 weight 0.10000E+01 volume 0.19614E-03 ppm1 6.019 ppm2 1.561 CV 1
ASSI { 4096}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 87 and name HG# ))
4.600 2.600 1.400 peak 4096 weight 0.10000E+01 volume 0.10138E-03 ppm1 6.012 ppm2 2.139 CV 1
ASSI { 4097}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 81 and name HB# ))
4.300 2.300 1.700 peak 4097 weight 0.10000E+01 volume 0.15351E-03 ppm1 6.018 ppm2 2.647 CV 1
ASSI { 4098}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 111 and name HB# ))
3.200 1.300 1.300 peak 4098 weight 0.10000E+01 volume 0.82710E-03 ppm1 6.011 ppm2 3.270 CV 1
ASSI { 4110}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HN ))
3.400 1.400 1.400 peak 4110 weight 0.10000E+01 volume 0.63622E-03 ppm1 5.091 ppm2 7.803 CV 1
ASSI { 4122}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 33 and name HN ))
3.600 1.600 1.600 peak 4122 weight 0.10000E+01 volume 0.42171E-03 ppm1 5.113 ppm2 8.910 CV 1
ASSI { 4125}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 38 and name HN ))
4.500 2.600 1.500 peak 4125 weight 0.10000E+01 volume 0.10756E-03 ppm1 6.728 ppm2 8.913 CV 1
ASSI { 4126}
(( segid " " and resid 111 and name HA ))
( segid " " and resid 81 and name HE% )
3.900 1.900 1.900 peak 4126 weight 0.10000E+01 volume 0.26893E-03 ppm1 6.721 ppm2 7.181 CV 1
ASSI { 4127}
(( segid " " and resid 111 and name HA ))
( segid " " and resid 63 and name HD% )
4.100 2.100 1.900 peak 4127 weight 0.10000E+01 volume 0.19150E-03 ppm1 6.721 ppm2 6.273 CV 1
ASSI { 4128}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 37 and name HA ))
4.200 2.200 1.800 peak 4128 weight 0.10000E+01 volume 0.17405E-03 ppm1 6.716 ppm2 3.089 CV 1
ASSI { 4134}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 87 and name HD# ))
2.700 0.900 0.900 peak 4134 weight 0.10000E+01 volume 0.23032E-02 ppm1 5.081 ppm2 4.059 CV 1
ASSI { 4145}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 46 and name HD# )
2.800 1.000 1.000 peak 4145 weight 0.10000E+01 volume 0.19208E-02 ppm1 5.047 ppm2 0.993 CV 1
ASSI { 4149}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 87 and name HB# ))
3.000 1.100 1.100 peak 4149 weight 0.10000E+01 volume 0.13441E-02 ppm1 5.202 ppm2 2.160 CV 1
OR { 4149}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 87 and name HG# ))
ASSI { 4154}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 107 and name HN ))
2.700 0.900 0.900 peak 4154 weight 0.10000E+01 volume 0.27388E-02 ppm1 5.114 ppm2 7.895 CV 1
ASSI { 4157}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 107 and name HB# ))
2.900 1.100 1.100 peak 4157 weight 0.10000E+01 volume 0.15197E-02 ppm1 5.118 ppm2 1.349 CV 1
ASSI { 4158}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HG1#))
4.300 2.300 1.700 peak 4158 weight 0.10000E+01 volume 0.16094E-03 ppm1 5.120 ppm2 0.103 CV 1
ASSI { 4163}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 109 and name HN ))
2.700 0.900 0.900 peak 4163 weight 0.10000E+01 volume 0.23973E-02 ppm1 5.733 ppm2 9.380 CV 1
ASSI { 4167}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HD# ))
4.500 2.500 1.500 peak 4167 weight 0.10000E+01 volume 0.11624E-03 ppm1 5.125 ppm2 3.386 CV 1
ASSI { 4168}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HB ))
3.800 1.800 1.800 peak 4168 weight 0.10000E+01 volume 0.30268E-03 ppm1 5.128 ppm2 1.752 CV 1
ASSI { 4169}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HG# ))
3.200 1.300 1.300 peak 4169 weight 0.10000E+01 volume 0.90390E-03 ppm1 5.126 ppm2 1.431 CV 1
ASSI { 4170}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 52 and name HG ))
4.100 2.100 1.900 peak 4170 weight 0.10000E+01 volume 0.19119E-03 ppm1 5.123 ppm2 1.051 CV 1
ASSI { 4171}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 23 and name HG# )
3.100 1.200 1.200 peak 4171 weight 0.10000E+01 volume 0.10207E-02 ppm1 5.125 ppm2 0.869 CV 1
OR { 4171}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 23 and name HD# )
ASSI { 4179}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 93 and name HN ))
4.500 2.600 1.500 peak 4179 weight 0.10000E+01 volume 0.11180E-03 ppm1 4.030 ppm2 9.327 CV 1
ASSI { 4191}
(( segid " " and resid 88 and name HB# ))
(( segid " " and resid 90 and name HB# ))
4.300 2.300 1.700 peak 4191 weight 0.10000E+01 volume 0.15000E-03 ppm1 2.043 ppm2 4.125 CV 1
ASSI { 4193}
(( segid " " and resid 87 and name HB# ))
( segid " " and resid 91 and name HB% )
3.600 1.700 1.700 peak 4193 weight 0.10000E+01 volume 0.41314E-03 ppm1 2.008 ppm2 1.498 CV 1
ASSI { 4202}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 59 and name HB ))
4.000 2.000 2.000 peak 4202 weight 0.10000E+01 volume 0.24631E-03 ppm1 1.759 ppm2 2.389 CV 1
ASSI { 4203}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 80 and name HB# ))
3.400 1.500 1.500 peak 4203 weight 0.10000E+01 volume 0.58688E-03 ppm1 1.751 ppm2 2.808 CV 1
ASSI { 4204}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 80 and name HB# ))
3.600 1.600 1.600 peak 4204 weight 0.10000E+01 volume 0.46238E-03 ppm1 1.756 ppm2 2.921 CV 1
ASSI { 4205}
(( segid " " and resid 17 and name HG# ))
( segid " " and resid 105 and name HE% )
3.700 1.700 1.700 peak 4205 weight 0.10000E+01 volume 0.40137E-03 ppm1 1.749 ppm2 7.306 CV 1
ASSI { 4207}
(( segid " " and resid 87 and name HG# ))
(( segid " " and resid 89 and name HN ))
6.000 5.300 0.000 peak 4207 weight 0.10000E+01 volume 0.12801E-04 ppm1 2.141 ppm2 8.586 CV 1
ASSI { 4208}
(( segid " " and resid 87 and name HG# ))
( segid " " and resid 80 and name HD% )
3.900 1.900 1.900 peak 4208 weight 0.10000E+01 volume 0.27584E-03 ppm1 1.755 ppm2 6.805 CV 1
ASSI { 4210}
(( segid " " and resid 87 and name HB# ))
(( segid " " and resid 87 and name HG# ))
2.800 0.900 0.900 peak 4210 weight 0.10000E+01 volume 0.21785E-02 ppm1 2.005 ppm2 1.759 CV 1
ASSI { 4214}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 3 and name HE% )
2.500 0.800 0.800 peak 4214 weight 0.10000E+01 volume 0.36140E-02 ppm1 2.156 ppm2 1.628 CV 1
ASSI { 4216}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 83 and name HA ))
3.800 1.800 1.800 peak 4216 weight 0.10000E+01 volume 0.32033E-03 ppm1 2.147 ppm2 4.339 CV 1
ASSI { 4217}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 117 and name HE% )
3.800 1.800 1.800 peak 4217 weight 0.10000E+01 volume 0.31208E-03 ppm1 2.151 ppm2 6.607 CV 1
OR { 4217}
(( segid " " and resid 3 and name HG# ))
( segid " " and resid 117 and name HD% )
ASSI { 4220}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 4 and name HN ))
3.800 1.800 1.800 peak 4220 weight 0.10000E+01 volume 0.30908E-03 ppm1 2.151 ppm2 8.062 CV 1
ASSI { 4221}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 84 and name HN ))
4.100 2.100 1.900 peak 4221 weight 0.10000E+01 volume 0.19439E-03 ppm1 2.157 ppm2 8.157 CV 1
ASSI { 4222}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 3 and name HN ))
4.000 2.000 2.000 peak 4222 weight 0.10000E+01 volume 0.22474E-03 ppm1 2.156 ppm2 8.391 CV 1
ASSI { 4223}
(( segid " " and resid 3 and name HG# ))
(( segid " " and resid 83 and name HN ))
4.700 2.800 1.300 peak 4223 weight 0.10000E+01 volume 0.83619E-04 ppm1 2.160 ppm2 9.839 CV 1
ASSI { 4224}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 87 and name HD# ))
4.300 2.300 1.700 peak 4224 weight 0.10000E+01 volume 0.15176E-03 ppm1 0.820 ppm2 4.095 CV 1
ASSI { 4248}
(( segid " " and resid 15 and name HG# ))
(( segid " " and resid 13 and name HA ))
4.300 2.400 1.700 peak 4248 weight 0.10000E+01 volume 0.14287E-03 ppm1 1.497 ppm2 3.973 CV 1
ASSI { 4251}
(( segid " " and resid 61 and name HB# ))
(( segid " " and resid 61 and name HE22))
4.500 2.600 1.500 peak 4251 weight 0.10000E+01 volume 0.11066E-03 ppm1 2.108 ppm2 7.588 CV 1
ASSI { 4257}
(( segid " " and resid 10 and name HG# ))
(( segid " " and resid 11 and name HD# ))
4.900 3.000 1.100 peak 4257 weight 0.10000E+01 volume 0.67101E-04 ppm1 1.873 ppm2 6.227 CV 1
ASSI { 4258}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 14 and name HG# ))
4.000 2.000 2.000 peak 4258 weight 0.10000E+01 volume 0.22298E-03 ppm1 2.982 ppm2 2.469 CV 1
ASSI { 4259}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 12 and name HB# ))
5.200 3.400 0.800 peak 4259 weight 0.10000E+01 volume 0.47281E-04 ppm1 3.487 ppm2 2.578 CV 1
ASSI { 4266}
(( segid " " and resid 4 and name HB# ))
(( segid " " and resid 4 and name HE# ))
4.100 2.100 1.900 peak 4266 weight 0.10000E+01 volume 0.19842E-03 ppm1 1.675 ppm2 2.929 CV 1
ASSI { 4267}
(( segid " " and resid 4 and name HD# ))
(( segid " " and resid 5 and name HN ))
5.300 3.400 0.700 peak 4267 weight 0.10000E+01 volume 0.45320E-04 ppm1 1.632 ppm2 8.593 CV 1
ASSI { 4270}
(( segid " " and resid 5 and name HB# ))
(( segid " " and resid 8 and name HD# ))
4.600 2.700 1.400 peak 4270 weight 0.10000E+01 volume 0.98075E-04 ppm1 2.624 ppm2 2.175 CV 1
ASSI { 4271}
(( segid " " and resid 29 and name HB# ))
(( segid " " and resid 30 and name HG# ))
4.400 2.400 1.600 peak 4271 weight 0.10000E+01 volume 0.13782E-03 ppm1 2.860 ppm2 1.314 CV 1
ASSI { 4273}
(( segid " " and resid 29 and name HB# ))
(( segid " " and resid 28 and name HB# ))
4.300 2.300 1.700 peak 4273 weight 0.10000E+01 volume 0.15206E-03 ppm1 2.855 ppm2 2.339 CV 1
ASSI { 4274}
(( segid " " and resid 29 and name HB# ))
(( segid " " and resid 55 and name HB# ))
4.300 2.300 1.700 peak 4274 weight 0.10000E+01 volume 0.16063E-03 ppm1 2.862 ppm2 3.669 CV 1
OR { 4274}
(( segid " " and resid 29 and name HB# ))
(( segid " " and resid 55 and name HA ))
ASSI { 4277}
(( segid " " and resid 29 and name HB# ))
(( segid " " and resid 30 and name HN ))
4.500 2.500 1.500 peak 4277 weight 0.10000E+01 volume 0.11314E-03 ppm1 2.869 ppm2 7.802 CV 1
ASSI { 4279}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 55 and name HA ))
5.000 3.100 1.000 peak 4279 weight 0.10000E+01 volume 0.61527E-04 ppm1 2.702 ppm2 3.666 CV 1
OR { 4279}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 55 and name HB# ))
ASSI { 4280}
(( segid " " and resid 47 and name HB# ))
(( segid " " and resid 46 and name HN ))
4.700 2.700 1.300 peak 4280 weight 0.10000E+01 volume 0.92084E-04 ppm1 2.797 ppm2 8.123 CV 1
ASSI { 4281}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 54 and name HB# ))
3.600 1.600 1.600 peak 4281 weight 0.10000E+01 volume 0.43450E-03 ppm1 2.794 ppm2 1.992 CV 1
ASSI { 4283}
(( segid " " and resid 28 and name HG# ))
(( segid " " and resid 27 and name HN ))
5.500 3.800 0.500 peak 4283 weight 0.10000E+01 volume 0.34273E-04 ppm1 1.954 ppm2 8.061 CV 1
ASSI { 4287}
(( segid " " and resid 70 and name HG1#))
( segid " " and resid 111 and name HE% )
5.500 3.800 0.500 peak 4287 weight 0.10000E+01 volume 0.33860E-04 ppm1 1.331 ppm2 6.648 CV 1
ASSI { 4290}
(( segid " " and resid 109 and name HG1#))
( segid " " and resid 62 and name HE% )
5.700 4.100 0.300 peak 4290 weight 0.10000E+01 volume 0.26428E-04 ppm1 0.810 ppm2 6.495 CV 1
ASSI { 4291}
(( segid " " and resid 86 and name HG1#))
(( segid " " and resid 79 and name HB# ))
5.300 3.600 0.700 peak 4291 weight 0.10000E+01 volume 0.41500E-04 ppm1 0.807 ppm2 2.596 CV 1
ASSI { 4302}
( segid " " and resid 107 and name HD# )
( segid " " and resid 31 and name HG# )
3.300 1.300 1.300 peak 4302 weight 0.10000E+01 volume 0.76620E-03 ppm1 0.880 ppm2 0.346 CV 1
ASSI { 4303}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 97 and name HB# ))
4.400 2.500 1.600 peak 4303 weight 0.10000E+01 volume 0.12604E-03 ppm1 0.877 ppm2 3.317 CV 1
ASSI { 4308}
(( segid " " and resid 107 and name HG ))
(( segid " " and resid 100 and name HB# ))
5.000 3.100 1.000 peak 4308 weight 0.10000E+01 volume 0.64005E-04 ppm1 0.762 ppm2 2.791 CV 1
ASSI { 4309}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 101 and name HB# ))
4.300 2.400 1.700 peak 4309 weight 0.10000E+01 volume 0.14153E-03 ppm1 2.056 ppm2 2.273 CV 1
ASSI { 4310}
(( segid " " and resid 107 and name HB# ))
(( segid " " and resid 33 and name HB ))
4.200 2.200 1.800 peak 4310 weight 0.10000E+01 volume 0.18396E-03 ppm1 2.049 ppm2 1.756 CV 1
ASSI { 4313}
(( segid " " and resid 105 and name HB# ))
(( segid " " and resid 21 and name HB# ))
4.900 3.000 1.100 peak 4313 weight 0.10000E+01 volume 0.71851E-04 ppm1 3.473 ppm2 1.887 CV 1
ASSI { 4318}
(( segid " " and resid 104 and name HB# ))
(( segid " " and resid 17 and name HB# ))
4.100 2.100 1.900 peak 4318 weight 0.10000E+01 volume 0.18912E-03 ppm1 3.117 ppm2 0.901 CV 1
ASSI { 4319}
(( segid " " and resid 104 and name HB# ))
(( segid " " and resid 105 and name HN ))
4.800 2.900 1.200 peak 4319 weight 0.10000E+01 volume 0.74225E-04 ppm1 2.425 ppm2 7.845 CV 1
ASSI { 4322}
(( segid " " and resid 99 and name HG# ))
( segid " " and resid 96 and name HD# )
4.400 2.400 1.600 peak 4322 weight 0.10000E+01 volume 0.13647E-03 ppm1 1.611 ppm2 0.907 CV 1
ASSI { 4326}
(( segid " " and resid 99 and name HB# ))
(( segid " " and resid 98 and name HB# ))
5.300 3.500 0.700 peak 4326 weight 0.10000E+01 volume 0.44700E-04 ppm1 1.498 ppm2 2.321 CV 1
ASSI { 4328}
(( segid " " and resid 98 and name HB# ))
(( segid " " and resid 100 and name HN ))
4.400 2.400 1.600 peak 4328 weight 0.10000E+01 volume 0.13431E-03 ppm1 2.331 ppm2 8.156 CV 1
ASSI { 4335}
( segid " " and resid 96 and name HD# )
( segid " " and resid 80 and name HD% )
4.800 2.900 1.200 peak 4335 weight 0.10000E+01 volume 0.77941E-04 ppm1 0.911 ppm2 6.818 CV 1
ASSI { 4338}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 93 and name HN ))
3.900 1.900 1.900 peak 4338 weight 0.10000E+01 volume 0.26913E-03 ppm1 0.912 ppm2 9.331 CV 1
ASSI { 4339}
( segid " " and resid 96 and name HD# )
(( segid " " and resid 97 and name HN ))
3.500 1.600 1.600 peak 4339 weight 0.10000E+01 volume 0.48778E-03 ppm1 0.911 ppm2 9.014 CV 1
ASSI { 4346}
(( segid " " and resid 96 and name HB# ))
(( segid " " and resid 87 and name HB# ))
4.300 2.300 1.700 peak 4346 weight 0.10000E+01 volume 0.14586E-03 ppm1 1.824 ppm2 2.154 CV 1
ASSI { 4348}
(( segid " " and resid 95 and name HB# ))
(( segid " " and resid 95 and name HE21))
5.200 3.400 0.800 peak 4348 weight 0.10000E+01 volume 0.45526E-04 ppm1 2.399 ppm2 7.745 CV 1
ASSI { 4352}
(( segid " " and resid 93 and name HB# ))
(( segid " " and resid 62 and name HN ))
4.600 2.700 1.400 peak 4352 weight 0.10000E+01 volume 0.95284E-04 ppm1 1.391 ppm2 8.851 CV 1
ASSI { 4353}
(( segid " " and resid 93 and name HB# ))
( segid " " and resid 53 and name HG# )
3.200 1.300 1.300 peak 4353 weight 0.10000E+01 volume 0.84765E-03 ppm1 1.394 ppm2 0.859 CV 1
ASSI { 4356}
(( segid " " and resid 93 and name HG# ))
(( segid " " and resid 62 and name HB# ))
4.500 2.500 1.500 peak 4356 weight 0.10000E+01 volume 0.11913E-03 ppm1 2.194 ppm2 3.274 CV 1
ASSI { 4361}
( segid " " and resid 92 and name HG# )
(( segid " " and resid 57 and name HA ))
4.800 2.800 1.200 peak 4361 weight 0.10000E+01 volume 0.81450E-04 ppm1 1.230 ppm2 4.286 CV 1
ASSI { 4362}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 85 and name HB ))
4.000 2.000 2.000 peak 4362 weight 0.10000E+01 volume 0.24425E-03 ppm1 3.024 ppm2 2.205 CV 1
ASSI { 4366}
(( segid " " and resid 81 and name HB# ))
(( segid " " and resid 86 and name HG1#))
6.000 5.300 0.000 peak 4366 weight 0.10000E+01 volume 0.12182E-04 ppm1 2.797 ppm2 0.797 CV 1
OR { 4366}
(( segid " " and resid 81 and name HB# ))
( segid " " and resid 86 and name HD# )
ASSI { 4367}
(( segid " " and resid 81 and name HB# ))
(( segid " " and resid 86 and name HA ))
5.300 3.500 0.700 peak 4367 weight 0.10000E+01 volume 0.43048E-04 ppm1 2.656 ppm2 5.218 CV 1
ASSI { 4368}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 44 and name HA# ))
4.400 2.400 1.600 peak 4368 weight 0.10000E+01 volume 0.13823E-03 ppm1 2.524 ppm2 3.877 CV 1
ASSI { 4369}
(( segid " " and resid 78 and name HB# ))
( segid " " and resid 111 and name HD% )
4.900 3.000 1.100 peak 4369 weight 0.10000E+01 volume 0.68134E-04 ppm1 1.110 ppm2 6.829 CV 1
ASSI { 4377}
(( segid " " and resid 73 and name HG# ))
(( segid " " and resid 76 and name HN ))
4.700 2.800 1.300 peak 4377 weight 0.10000E+01 volume 0.83412E-04 ppm1 1.755 ppm2 7.467 CV 1
ASSI { 4382}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 68 and name HN ))
5.200 3.300 0.800 peak 4382 weight 0.10000E+01 volume 0.50378E-04 ppm1 0.948 ppm2 7.327 CV 1
ASSI { 4383}
(( segid " " and resid 109 and name HG1#))
( segid " " and resid 62 and name HE% )
4.900 3.000 1.100 peak 4383 weight 0.10000E+01 volume 0.65862E-04 ppm1 1.315 ppm2 6.487 CV 1
ASSI { 4386}
(( segid " " and resid 109 and name HG1#))
(( segid " " and resid 34 and name HN ))
5.300 3.500 0.700 peak 4386 weight 0.10000E+01 volume 0.43254E-04 ppm1 1.323 ppm2 8.766 CV 1
ASSI { 4392}
(( segid " " and resid 69 and name HG# ))
( segid " " and resid 66 and name HG# )
5.400 3.700 0.600 peak 4392 weight 0.10000E+01 volume 0.37267E-04 ppm1 1.895 ppm2 0.378 CV 1
ASSI { 4393}
(( segid " " and resid 69 and name HG# ))
(( segid " " and resid 48 and name HD# ))
3.400 1.500 1.500 peak 4393 weight 0.10000E+01 volume 0.60113E-03 ppm1 1.704 ppm2 1.373 CV 1
ASSI { 4394}
(( segid " " and resid 69 and name HG# ))
( segid " " and resid 46 and name HD# )
3.200 1.200 1.200 peak 4394 weight 0.10000E+01 volume 0.96994E-03 ppm1 1.702 ppm2 0.897 CV 1
ASSI { 4397}
(( segid " " and resid 111 and name HB# ))
( segid " " and resid 66 and name HG# )
3.800 1.800 1.800 peak 4397 weight 0.10000E+01 volume 0.32911E-03 ppm1 3.278 ppm2 0.351 CV 1
ASSI { 4400}
(( segid " " and resid 68 and name HB# ))
(( segid " " and resid 71 and name HA ))
5.300 3.500 0.700 peak 4400 weight 0.10000E+01 volume 0.43048E-04 ppm1 1.759 ppm2 4.229 CV 1
ASSI { 4401}
(( segid " " and resid 40 and name HE# ))
(( segid " " and resid 119 and name HN ))
4.600 2.600 1.400 peak 4401 weight 0.10000E+01 volume 0.10334E-03 ppm1 2.883 ppm2 7.409 CV 1
ASSI { 4404}
(( segid " " and resid 111 and name HB# ))
( segid " " and resid 43 and name HD# )
3.600 1.700 1.700 peak 4404 weight 0.10000E+01 volume 0.40581E-03 ppm1 2.850 ppm2 1.133 CV 1
ASSI { 4416}
(( segid " " and resid 67 and name HG# ))
(( segid " " and resid 67 and name HN ))
3.700 1.700 1.700 peak 4416 weight 0.10000E+01 volume 0.34996E-03 ppm1 1.184 ppm2 8.540 CV 1
ASSI { 4417}
(( segid " " and resid 67 and name HG# ))
(( segid " " and resid 74 and name HN ))
4.800 2.900 1.200 peak 4417 weight 0.10000E+01 volume 0.74638E-04 ppm1 1.170 ppm2 8.780 CV 1
ASSI { 4420}
( segid " " and resid 66 and name HG# )
(( segid " " and resid 112 and name HN ))
5.100 3.300 0.900 peak 4420 weight 0.10000E+01 volume 0.53062E-04 ppm1 0.360 ppm2 9.294 CV 1
ASSI { 4422}
(( segid " " and resid 66 and name HG1#))
( segid " " and resid 62 and name HE% )
3.900 1.900 1.900 peak 4422 weight 0.10000E+01 volume 0.27295E-03 ppm1 0.694 ppm2 6.528 CV 1
ASSI { 4424}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 66 and name HA ))
4.600 2.600 1.400 peak 4424 weight 0.10000E+01 volume 0.10127E-03 ppm1 1.640 ppm2 3.441 CV 1
ASSI { 4425}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 66 and name HG1#))
3.900 1.900 1.900 peak 4425 weight 0.10000E+01 volume 0.28750E-03 ppm1 1.637 ppm2 0.696 CV 1
ASSI { 4426}
(( segid " " and resid 65 and name HB# ))
(( segid " " and resid 66 and name HG1#))
4.200 2.200 1.800 peak 4426 weight 0.10000E+01 volume 0.18076E-03 ppm1 1.818 ppm2 0.677 CV 1
ASSI { 4434}
(( segid " " and resid 14 and name HB# ))
(( segid " " and resid 15 and name HG# ))
3.100 1.200 1.200 peak 4434 weight 0.10000E+01 volume 0.11558E-02 ppm1 2.101 ppm2 1.516 CV 1
ASSI { 4438}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 87 and name HG# ))
3.300 1.400 1.400 peak 4438 weight 0.10000E+01 volume 0.69156E-03 ppm1 2.396 ppm2 2.155 CV 1
OR { 4438}
(( segid " " and resid 59 and name HB ))
(( segid " " and resid 87 and name HB# ))
ASSI { 4448}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HE# ))
4.100 2.100 1.900 peak 4448 weight 0.10000E+01 volume 0.19284E-03 ppm1 1.976 ppm2 2.946 CV 1
ASSI { 4449}
(( segid " " and resid 69 and name HG# ))
( segid " " and resid 51 and name HE% )
5.000 3.100 1.000 peak 4449 weight 0.10000E+01 volume 0.64211E-04 ppm1 1.897 ppm2 6.631 CV 1
ASSI { 4451}
(( segid " " and resid 54 and name HG# ))
(( segid " " and resid 57 and name HB# ))
3.400 1.500 1.500 peak 4451 weight 0.10000E+01 volume 0.59947E-03 ppm1 2.245 ppm2 1.487 CV 1
ASSI { 4452}
(( segid " " and resid 54 and name HG# ))
(( segid " " and resid 57 and name HB# ))
3.700 1.700 1.700 peak 4452 weight 0.10000E+01 volume 0.38413E-03 ppm1 2.247 ppm2 1.685 CV 1
ASSI { 4455}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 62 and name HD% )
3.600 1.600 1.600 peak 4455 weight 0.10000E+01 volume 0.43338E-03 ppm1 1.975 ppm2 6.920 CV 1
ASSI { 4457}
(( segid " " and resid 52 and name HB# ))
(( segid " " and resid 30 and name HD# ))
5.500 3.800 0.500 peak 4457 weight 0.10000E+01 volume 0.33035E-04 ppm1 1.256 ppm2 2.653 CV 1
ASSI { 4459}
(( segid " " and resid 78 and name HG ))
(( segid " " and resid 78 and name HN ))
5.100 3.300 0.900 peak 4459 weight 0.10000E+01 volume 0.54094E-04 ppm1 1.099 ppm2 6.958 CV 1
ASSI { 4460}
(( segid " " and resid 78 and name HG ))
(( segid " " and resid 111 and name HA ))
4.900 3.100 1.100 peak 4460 weight 0.10000E+01 volume 0.65037E-04 ppm1 1.092 ppm2 6.695 CV 1
ASSI { 4461}
(( segid " " and resid 78 and name HG ))
(( segid " " and resid 78 and name HA ))
4.700 2.800 1.300 peak 4461 weight 0.10000E+01 volume 0.86819E-04 ppm1 1.090 ppm2 4.551 CV 1
ASSI { 4466}
(( segid " " and resid 78 and name HG ))
( segid " " and resid 78 and name HD# )
2.800 1.000 1.000 peak 4466 weight 0.10000E+01 volume 0.20411E-02 ppm1 1.099 ppm2 0.823 CV 1
ASSI { 4468}
(( segid " " and resid 52 and name HG ))
(( segid " " and resid 30 and name HG# ))
2.700 0.900 0.900 peak 4468 weight 0.10000E+01 volume 0.22947E-02 ppm1 1.071 ppm2 1.290 CV 1
ASSI { 4473}
(( segid " " and resid 51 and name HB# ))
(( segid " " and resid 33 and name HN ))
5.000 3.100 1.000 peak 4473 weight 0.10000E+01 volume 0.61940E-04 ppm1 2.826 ppm2 8.893 CV 1
ASSI { 4481}
(( segid " " and resid 50 and name HB# ))
(( segid " " and resid 52 and name HN ))
5.300 3.500 0.700 peak 4481 weight 0.10000E+01 volume 0.43048E-04 ppm1 1.636 ppm2 8.592 CV 1
ASSI { 4482}
(( segid " " and resid 48 and name HB# ))
( segid " " and resid 46 and name HD# )
3.700 1.700 1.700 peak 4482 weight 0.10000E+01 volume 0.39641E-03 ppm1 1.638 ppm2 0.871 CV 1
ASSI { 4483}
(( segid " " and resid 50 and name HB# ))
( segid " " and resid 34 and name HG# )
4.800 2.900 1.200 peak 4483 weight 0.10000E+01 volume 0.76909E-04 ppm1 1.228 ppm2 0.644 CV 1
ASSI { 4485}
(( segid " " and resid 50 and name HD# ))
(( segid " " and resid 51 and name HN ))
4.300 2.300 1.700 peak 4485 weight 0.10000E+01 volume 0.14804E-03 ppm1 1.595 ppm2 9.500 CV 1
ASSI { 4486}
(( segid " " and resid 50 and name HG# ))
( segid " " and resid 52 and name HD# )
4.100 2.100 1.900 peak 4486 weight 0.10000E+01 volume 0.19077E-03 ppm1 1.017 ppm2 0.412 CV 1
ASSI { 4489}
(( segid " " and resid 49 and name HB# ))
(( segid " " and resid 50 and name HB# ))
5.100 3.200 0.900 peak 4489 weight 0.10000E+01 volume 0.55436E-04 ppm1 2.159 ppm2 1.224 CV 1
ASSI { 4490}
(( segid " " and resid 49 and name HG# ))
( segid " " and resid 34 and name HD# )
4.800 2.900 1.200 peak 4490 weight 0.10000E+01 volume 0.77631E-04 ppm1 1.602 ppm2 -0.564 CV 1
ASSI { 4492}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 36 and name HG# ))
4.300 2.300 1.700 peak 4492 weight 0.10000E+01 volume 0.14577E-03 ppm1 1.754 ppm2 2.612 CV 1
ASSI { 4493}
(( segid " " and resid 49 and name HG# ))
(( segid " " and resid 50 and name HN ))
5.400 3.700 0.600 peak 4493 weight 0.10000E+01 volume 0.36957E-04 ppm1 1.731 ppm2 6.992 CV 1
ASSI { 4495}
(( segid " " and resid 49 and name HE# ))
( segid " " and resid 6 and name HG# )
4.400 2.400 1.600 peak 4495 weight 0.10000E+01 volume 0.13926E-03 ppm1 3.266 ppm2 1.115 CV 1
ASSI { 4496}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 8 and name HB# ))
4.700 2.700 1.300 peak 4496 weight 0.10000E+01 volume 0.90123E-04 ppm1 3.246 ppm2 1.444 CV 1
ASSI { 4497}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 36 and name HA ))
5.400 3.600 0.600 peak 4497 weight 0.10000E+01 volume 0.40261E-04 ppm1 3.244 ppm2 4.988 CV 1
ASSI { 4499}
(( segid " " and resid 49 and name HE# ))
(( segid " " and resid 11 and name HN ))
5.000 3.100 1.000 peak 4499 weight 0.10000E+01 volume 0.60598E-04 ppm1 3.244 ppm2 7.145 CV 1
ASSI { 4505}
(( segid " " and resid 48 and name HG# ))
(( segid " " and resid 50 and name HN ))
3.700 1.700 1.700 peak 4505 weight 0.10000E+01 volume 0.37897E-03 ppm1 1.159 ppm2 6.975 CV 1
ASSI { 4514}
(( segid " " and resid 46 and name HB# ))
(( segid " " and resid 45 and name HB# ))
4.500 2.500 1.500 peak 4514 weight 0.10000E+01 volume 0.12047E-03 ppm1 1.839 ppm2 2.767 CV 1
ASSI { 4516}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 42 and name HB# ))
3.900 1.900 1.900 peak 4516 weight 0.10000E+01 volume 0.28317E-03 ppm1 1.107 ppm2 1.908 CV 1
ASSI { 4519}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 44 and name HA# ))
6.000 5.300 0.000 peak 4519 weight 0.10000E+01 volume 0.12285E-04 ppm1 1.105 ppm2 3.867 CV 1
ASSI { 4521}
( segid " " and resid 43 and name HG# )
(( segid " " and resid 112 and name HN ))
5.100 3.300 0.900 peak 4521 weight 0.10000E+01 volume 0.52649E-04 ppm1 1.107 ppm2 9.295 CV 1
ASSI { 4531}
(( segid " " and resid 73 and name HD# ))
(( segid " " and resid 73 and name HB# ))
2.900 1.000 1.000 peak 4531 weight 0.10000E+01 volume 0.17490E-02 ppm1 3.290 ppm2 2.112 CV 1
ASSI { 4533}
(( segid " " and resid 25 and name HD# ))
(( segid " " and resid 26 and name HN ))
4.900 2.900 1.100 peak 4533 weight 0.10000E+01 volume 0.72986E-04 ppm1 1.576 ppm2 7.737 CV 1
ASSI { 4535}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 40 and name HE# ))
5.200 3.400 0.800 peak 4535 weight 0.10000E+01 volume 0.48726E-04 ppm1 2.321 ppm2 2.911 CV 1
ASSI { 4536}
(( segid " " and resid 39 and name HB# ))
( segid " " and resid 117 and name HE% )
5.400 3.700 0.600 peak 4536 weight 0.10000E+01 volume 0.36544E-04 ppm1 2.330 ppm2 6.604 CV 1
OR { 4536}
(( segid " " and resid 39 and name HB# ))
( segid " " and resid 117 and name HD% )
ASSI { 4537}
(( segid " " and resid 39 and name HB# ))
(( segid " " and resid 118 and name HA# ))
4.500 2.500 1.500 peak 4537 weight 0.10000E+01 volume 0.12006E-03 ppm1 1.823 ppm2 3.700 CV 1
ASSI { 4540}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 39 and name HG# ))
3.600 1.600 1.600 peak 4540 weight 0.10000E+01 volume 0.46651E-03 ppm1 1.207 ppm2 2.010 CV 1
ASSI { 4543}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 111 and name HA ))
3.900 1.900 1.900 peak 4543 weight 0.10000E+01 volume 0.25168E-03 ppm1 1.205 ppm2 6.716 CV 1
ASSI { 4545}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 112 and name HN ))
4.200 2.200 1.800 peak 4545 weight 0.10000E+01 volume 0.16982E-03 ppm1 1.205 ppm2 9.294 CV 1
ASSI { 4547}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 113 and name HN ))
4.800 2.900 1.200 peak 4547 weight 0.10000E+01 volume 0.73811E-04 ppm1 1.204 ppm2 9.439 CV 1
ASSI { 4550}
(( segid " " and resid 37 and name HB# ))
(( segid " " and resid 36 and name HB# ))
4.800 2.900 1.200 peak 4550 weight 0.10000E+01 volume 0.74844E-04 ppm1 1.568 ppm2 2.286 CV 1
ASSI { 4552}
(( segid " " and resid 37 and name HD# ))
(( segid " " and resid 43 and name HN ))
4.500 2.500 1.500 peak 4552 weight 0.10000E+01 volume 0.11325E-03 ppm1 1.490 ppm2 6.952 CV 1
ASSI { 4553}
(( segid " " and resid 36 and name HB# ))
( segid " " and resid 3 and name HE% )
3.700 1.800 1.800 peak 4553 weight 0.10000E+01 volume 0.34635E-03 ppm1 1.898 ppm2 1.628 CV 1
ASSI { 4555}
(( segid " " and resid 36 and name HB# ))
( segid " " and resid 5 and name HE% )
3.800 1.800 1.800 peak 4555 weight 0.10000E+01 volume 0.31755E-03 ppm1 2.286 ppm2 7.429 CV 1
ASSI { 4557}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 62 and name HZ ))
5.100 3.200 0.900 peak 4557 weight 0.10000E+01 volume 0.56468E-04 ppm1 2.057 ppm2 6.253 CV 1
ASSI { 4558}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 109 and name HG# )
6.000 5.300 0.000 peak 4558 weight 0.10000E+01 volume 0.12697E-04 ppm1 2.054 ppm2 0.483 CV 1
ASSI { 4561}
( segid " " and resid 35 and name HG# )
( segid " " and resid 5 and name HD% )
4.100 2.100 1.900 peak 4561 weight 0.10000E+01 volume 0.19965E-03 ppm1 0.906 ppm2 7.217 CV 1
OR { 4561}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 5 and name HZ ))
ASSI { 4566}
( segid " " and resid 34 and name HG2# )
(( segid " " and resid 49 and name HG# ))
3.400 1.400 1.400 peak 4566 weight 0.10000E+01 volume 0.61651E-03 ppm1 0.654 ppm2 1.544 CV 1
ASSI { 4570}
(( segid " " and resid 34 and name HG1#))
(( segid " " and resid 34 and name HA ))
6.000 5.200 0.000 peak 4570 weight 0.10000E+01 volume 0.12904E-04 ppm1 0.118 ppm2 4.913 CV 1
ASSI { 4572}
(( segid " " and resid 34 and name HG1#))
(( segid " " and resid 32 and name HA ))
5.100 3.200 0.900 peak 4572 weight 0.10000E+01 volume 0.55643E-04 ppm1 0.549 ppm2 5.141 CV 1
ASSI { 4576}
( segid " " and resid 33 and name HG# )
(( segid " " and resid 93 and name HG# ))
5.100 3.300 0.900 peak 4576 weight 0.10000E+01 volume 0.53681E-04 ppm1 0.588 ppm2 2.183 CV 1
ASSI { 4579}
(( segid " " and resid 40 and name HB# ))
(( segid " " and resid 41 and name HN ))
4.300 2.300 1.700 peak 4579 weight 0.10000E+01 volume 0.15247E-03 ppm1 1.870 ppm2 7.464 CV 1
ASSI { 4582}
(( segid " " and resid 32 and name HB# ))
( segid " " and resid 33 and name HG# )
4.500 2.600 1.500 peak 4582 weight 0.10000E+01 volume 0.11046E-03 ppm1 1.866 ppm2 0.609 CV 1
ASSI { 4585}
(( segid " " and resid 32 and name HB# ))
(( segid " " and resid 52 and name HG ))
5.000 3.100 1.000 peak 4585 weight 0.10000E+01 volume 0.61733E-04 ppm1 1.593 ppm2 1.068 CV 1
ASSI { 4589}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 20 and name HA# ))
4.200 2.200 1.800 peak 4589 weight 0.10000E+01 volume 0.16404E-03 ppm1 2.535 ppm2 3.086 CV 1
ASSI { 4590}
(( segid " " and resid 32 and name HG# ))
(( segid " " and resid 24 and name HD# ))
4.300 2.300 1.700 peak 4590 weight 0.10000E+01 volume 0.15000E-03 ppm1 2.534 ppm2 2.792 CV 1
ASSI { 4592}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 93 and name HB# ))
3.700 1.700 1.700 peak 4592 weight 0.10000E+01 volume 0.35884E-03 ppm1 1.397 ppm2 1.986 CV 1
ASSI { 4593}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HG# ))
5.000 3.100 1.000 peak 4593 weight 0.10000E+01 volume 0.61424E-04 ppm1 1.378 ppm2 2.525 CV 1
ASSI { 4595}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 95 and name HN ))
5.100 3.300 0.900 peak 4595 weight 0.10000E+01 volume 0.51823E-04 ppm1 0.407 ppm2 7.966 CV 1
ASSI { 4597}
(( segid " " and resid 30 and name HB# ))
( segid " " and resid 23 and name HG# )
4.300 2.300 1.700 peak 4597 weight 0.10000E+01 volume 0.15825E-03 ppm1 1.430 ppm2 0.870 CV 1
ASSI { 4602}
(( segid " " and resid 30 and name HD# ))
(( segid " " and resid 54 and name HD# ))
4.400 2.400 1.600 peak 4602 weight 0.10000E+01 volume 0.13998E-03 ppm1 2.682 ppm2 3.997 CV 1
ASSI { 4605}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 29 and name HN ))
5.500 3.800 0.500 peak 4605 weight 0.10000E+01 volume 0.33448E-04 ppm1 2.654 ppm2 8.567 CV 1
ASSI { 4611}
(( segid " " and resid 26 and name HB# ))
(( segid " " and resid 25 and name HB# ))
3.700 1.700 1.700 peak 4611 weight 0.10000E+01 volume 0.39631E-03 ppm1 1.484 ppm2 1.773 CV 1
ASSI { 4613}
( segid " " and resid 107 and name HD# )
(( segid " " and resid 101 and name HB# ))
3.500 1.600 1.600 peak 4613 weight 0.10000E+01 volume 0.48189E-03 ppm1 0.880 ppm2 2.247 CV 1
ASSI { 4619}
(( segid " " and resid 24 and name HD# ))
(( segid " " and resid 32 and name HG# ))
3.900 1.900 1.900 peak 4619 weight 0.10000E+01 volume 0.27223E-03 ppm1 3.246 ppm2 2.535 CV 1
ASSI { 4625}
(( segid " " and resid 23 and name HG1#))
(( segid " " and resid 22 and name HN ))
5.000 3.100 1.000 peak 4625 weight 0.10000E+01 volume 0.63592E-04 ppm1 1.201 ppm2 7.479 CV 1
ASSI { 4628}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 23 and name HA ))
4.100 2.200 1.900 peak 4628 weight 0.10000E+01 volume 0.18696E-03 ppm1 1.914 ppm2 3.751 CV 1
ASSI { 4633}
(( segid " " and resid 21 and name HB# ))
( segid " " and resid 105 and name HD% )
3.600 1.600 1.600 peak 4633 weight 0.10000E+01 volume 0.45216E-03 ppm1 1.923 ppm2 7.095 CV 1
ASSI { 4638}
(( segid " " and resid 9 and name HG# ))
(( segid " " and resid 5 and name HB# ))
5.200 3.400 0.800 peak 4638 weight 0.10000E+01 volume 0.47590E-04 ppm1 2.351 ppm2 3.075 CV 1
ASSI { 4639}
(( segid " " and resid 57 and name HB# ))
(( segid " " and resid 93 and name HN ))
4.900 3.000 1.100 peak 4639 weight 0.10000E+01 volume 0.68547E-04 ppm1 1.713 ppm2 9.364 CV 1
ASSI { 4644}
(( segid " " and resid 57 and name HG ))
(( segid " " and resid 62 and name HB# ))
4.500 2.500 1.500 peak 4644 weight 0.10000E+01 volume 0.11232E-03 ppm1 2.044 ppm2 3.251 CV 1
ASSI { 4649}
( segid " " and resid 57 and name HD# )
(( segid " " and resid 61 and name HN ))
4.100 2.100 1.900 peak 4649 weight 0.10000E+01 volume 0.19253E-03 ppm1 0.996 ppm2 8.111 CV 1
ASSI { 4652}
( segid " " and resid 72 and name HD# )
(( segid " " and resid 43 and name HB ))
4.400 2.400 1.600 peak 4652 weight 0.10000E+01 volume 0.13926E-03 ppm1 0.847 ppm2 2.062 CV 1
ASSI { 4656}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 63 and name HB# ))
4.200 2.200 1.800 peak 4656 weight 0.10000E+01 volume 0.16466E-03 ppm1 0.817 ppm2 3.098 CV 1
ASSI { 4658}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 43 and name HB ))
3.700 1.800 1.800 peak 4658 weight 0.10000E+01 volume 0.34335E-03 ppm1 0.821 ppm2 2.059 CV 1
ASSI { 4660}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 67 and name HB# ))
3.500 1.500 1.500 peak 4660 weight 0.10000E+01 volume 0.56045E-03 ppm1 0.823 ppm2 1.623 CV 1
ASSI { 4664}
( segid " " and resid 78 and name HD# )
(( segid " " and resid 80 and name HZ ))
4.000 2.000 2.000 peak 4664 weight 0.10000E+01 volume 0.23774E-03 ppm1 0.821 ppm2 6.412 CV 1
ASSI { 4671}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 113 and name HN ))
6.000 5.100 0.000 peak 4671 weight 0.10000E+01 volume 0.13936E-04 ppm1 1.433 ppm2 9.429 CV 1
ASSI { 4681}
(( segid " " and resid 62 and name HB# ))
( segid " " and resid 62 and name HE% )
3.900 1.900 1.900 peak 4681 weight 0.10000E+01 volume 0.25158E-03 ppm1 3.268 ppm2 6.541 CV 1
ASSI { 4684}
(( segid " " and resid 64 and name HB# ))
(( segid " " and resid 61 and name HG# ))
4.100 2.100 1.900 peak 4684 weight 0.10000E+01 volume 0.19459E-03 ppm1 3.302 ppm2 2.489 CV 1
ASSI { 4685}
(( segid " " and resid 63 and name HB# ))
(( segid " " and resid 66 and name HN ))
5.300 3.500 0.700 peak 4685 weight 0.10000E+01 volume 0.43668E-04 ppm1 3.101 ppm2 7.834 CV 1
ASSI { 4687}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 119 and name HB# ))
6.000 5.400 0.000 peak 4687 weight 0.10000E+01 volume 0.11872E-04 ppm1 2.556 ppm2 1.441 CV 1
OR { 4687}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 119 and name HG ))
ASSI { 4688}
(( segid " " and resid 117 and name HB# ))
(( segid " " and resid 119 and name HB# ))
5.200 3.300 0.800 peak 4688 weight 0.10000E+01 volume 0.49965E-04 ppm1 1.925 ppm2 1.510 CV 1
ASSI { 4693}
(( segid " " and resid 102 and name HG# ))
(( segid " " and resid 102 and name HN ))
3.500 1.600 1.600 peak 4693 weight 0.10000E+01 volume 0.47735E-03 ppm1 3.040 ppm2 8.824 CV 1
ASSI { 4694}
(( segid " " and resid 76 and name HB# ))
(( segid " " and resid 72 and name HA ))
4.200 2.200 1.800 peak 4694 weight 0.10000E+01 volume 0.16518E-03 ppm1 2.759 ppm2 4.491 CV 1
ASSI { 4695}
(( segid " " and resid 26 and name HE# ))
(( segid " " and resid 26 and name HA ))
5.000 3.100 1.000 peak 4695 weight 0.10000E+01 volume 0.62250E-04 ppm1 2.761 ppm2 3.791 CV 1
ASSI { 4706}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 102 and name HB# ))
4.900 3.000 1.100 peak 4706 weight 0.10000E+01 volume 0.67101E-04 ppm1 2.273 ppm2 2.700 CV 1
ASSI { 4707}
(( segid " " and resid 101 and name HB# ))
(( segid " " and resid 105 and name HA ))
5.100 3.200 0.900 peak 4707 weight 0.10000E+01 volume 0.54714E-04 ppm1 2.081 ppm2 3.582 CV 1
ASSI { 4711}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 96 and name HB# ))
4.000 2.000 2.000 peak 4711 weight 0.10000E+01 volume 0.24312E-03 ppm1 0.985 ppm2 1.592 CV 1
ASSI { 4714}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 4 and name HN ))
4.200 2.200 1.800 peak 4714 weight 0.10000E+01 volume 0.18561E-03 ppm1 1.625 ppm2 8.066 CV 1
ASSI { 4715}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 32 and name HG# ))
5.300 3.500 0.700 peak 4715 weight 0.10000E+01 volume 0.42016E-04 ppm1 1.813 ppm2 2.529 CV 1
ASSI { 4716}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 7 and name HB# ))
6.000 5.000 0.000 peak 4716 weight 0.10000E+01 volume 0.14556E-04 ppm1 2.249 ppm2 3.501 CV 1
ASSI { 4717}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 10 and name HN ))
5.300 3.500 0.700 peak 4717 weight 0.10000E+01 volume 0.43668E-04 ppm1 1.003 ppm2 8.080 CV 1
ASSI { 4720}
( segid " " and resid 85 and name HG# )
(( segid " " and resid 88 and name HD# ))
4.400 2.400 1.600 peak 4720 weight 0.10000E+01 volume 0.14019E-03 ppm1 0.981 ppm2 3.980 CV 1
ASSI { 4724}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 10 and name HG# ))
4.300 2.300 1.700 peak 4724 weight 0.10000E+01 volume 0.15557E-03 ppm1 3.507 ppm2 2.208 CV 1
ASSI { 4725}
(( segid " " and resid 7 and name HB# ))
( segid " " and resid 34 and name HD# )
4.900 2.900 1.100 peak 4725 weight 0.10000E+01 volume 0.73089E-04 ppm1 3.513 ppm2 -0.575 CV 1
ASSI { 4727}
(( segid " " and resid 56 and name HB# ))
(( segid " " and resid 57 and name HA ))
4.700 2.700 1.300 peak 4727 weight 0.10000E+01 volume 0.90123E-04 ppm1 2.801 ppm2 4.266 CV 1
ASSI { 4734}
(( segid " " and resid 7 and name HB# ))
(( segid " " and resid 49 and name HG# ))
3.700 1.700 1.700 peak 4734 weight 0.10000E+01 volume 0.35512E-03 ppm1 2.715 ppm2 1.618 CV 1
ASSI { 4738}
(( segid " " and resid 113 and name HB# ))
(( segid " " and resid 114 and name HB# ))
3.900 1.900 1.900 peak 4738 weight 0.10000E+01 volume 0.26738E-03 ppm1 3.089 ppm2 1.863 CV 1
ASSI { 4742}
(( segid " " and resid 79 and name HB# ))
(( segid " " and resid 115 and name HA ))
5.000 3.200 1.000 peak 4742 weight 0.10000E+01 volume 0.59359E-04 ppm1 2.534 ppm2 3.415 CV 1
ASSI { 4743}
(( segid " " and resid 45 and name HB# ))
(( segid " " and resid 44 and name HA# ))
4.900 3.000 1.100 peak 4743 weight 0.10000E+01 volume 0.68547E-04 ppm1 2.737 ppm2 4.101 CV 1
ASSI { 4745}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 64 and name HN ))
5.000 3.200 1.000 peak 4745 weight 0.10000E+01 volume 0.59359E-04 ppm1 3.936 ppm2 7.349 CV 1
OR { 4745}
(( segid " " and resid 60 and name HA# ))
( segid " " and resid 64 and name HD% )
ASSI { 4746}
(( segid " " and resid 60 and name HA# ))
(( segid " " and resid 64 and name HN ))
4.800 2.900 1.200 peak 4746 weight 0.10000E+01 volume 0.77322E-04 ppm1 4.092 ppm2 7.359 CV 1
OR { 4746}
(( segid " " and resid 60 and name HA# ))
( segid " " and resid 64 and name HD% )
ASSI { 4747}
(( segid " " and resid 20 and name HA# ))
( segid " " and resid 105 and name HD% )
5.300 3.500 0.700 peak 4747 weight 0.10000E+01 volume 0.42739E-04 ppm1 3.087 ppm2 7.077 CV 1
ASSI { 4749}
(( segid " " and resid 94 and name HA# ))
(( segid " " and resid 99 and name HN ))
6.000 5.200 0.000 peak 4749 weight 0.10000E+01 volume 0.13524E-04 ppm1 3.710 ppm2 7.397 CV 1
ASSI { 4752}
(( segid " " and resid 118 and name HA# ))
( segid " " and resid 116 and name HG# )
4.200 2.200 1.800 peak 4752 weight 0.10000E+01 volume 0.18417E-03 ppm1 3.695 ppm2 0.754 CV 1
ASSI { 4754}
(( segid " " and resid 8 and name HB# ))
( segid " " and resid 108 and name HD% )
6.000 5.200 0.000 peak 4754 weight 0.10000E+01 volume 0.13214E-04 ppm1 1.437 ppm2 6.315 CV 1
ASSI { 4756}
(( segid " " and resid 16 and name HG# ))
(( segid " " and resid 14 and name HN ))
6.000 5.300 0.000 peak 4756 weight 0.10000E+01 volume 0.12697E-04 ppm1 1.428 ppm2 9.565 CV 1
ASSI { 4758}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 23 and name HB ))
4.100 2.100 1.900 peak 4758 weight 0.10000E+01 volume 0.21225E-03 ppm1 4.158 ppm2 1.801 CV 1
ASSI { 4763}
(( segid " " and resid 28 and name HD# ))
(( segid " " and resid 25 and name HB# ))
6.000 4.900 0.000 peak 4763 weight 0.10000E+01 volume 0.16001E-04 ppm1 3.286 ppm2 1.723 CV 1
ASSI { 4766}
(( segid " " and resid 88 and name HD# ))
(( segid " " and resid 91 and name HN ))
5.900 4.400 0.100 peak 4766 weight 0.10000E+01 volume 0.21988E-04 ppm1 3.585 ppm2 7.280 CV 1
ASSI { 4767}
(( segid " " and resid 39 and name HD# ))
( segid " " and resid 119 and name HD# )
6.000 5.000 0.000 peak 4767 weight 0.10000E+01 volume 0.14762E-04 ppm1 3.851 ppm2 0.794 CV 1
ASSI { 4771}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 37 and name HA ))
4.300 2.300 1.700 peak 4771 weight 0.10000E+01 volume 0.15351E-03 ppm1 4.418 ppm2 3.051 CV 1
ASSI { 4776}
(( segid " " and resid 54 and name HD# ))
(( segid " " and resid 53 and name HN ))
6.000 4.600 0.000 peak 4776 weight 0.10000E+01 volume 0.18995E-04 ppm1 4.003 ppm2 8.382 CV 1
ASSI { 4780}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 63 and name HE% )
3.500 1.500 1.500 peak 4780 weight 0.10000E+01 volume 0.52339E-03 ppm1 6.023 ppm2 6.138 CV 1
ASSI { 4793}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 106 and name HB# ))
4.200 2.200 1.800 peak 4793 weight 0.10000E+01 volume 0.16930E-03 ppm1 4.133 ppm2 2.022 CV 1
ASSI { 4795}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 18 and name HN ))
6.000 5.300 0.000 peak 4795 weight 0.10000E+01 volume 0.12285E-04 ppm1 4.137 ppm2 7.617 CV 1
ASSI { 4803}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HN ))
4.600 2.600 1.400 peak 4803 weight 0.10000E+01 volume 0.10540E-03 ppm1 5.092 ppm2 7.740 CV 1
ASSI { 4807}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HA ))
3.900 1.900 1.900 peak 4807 weight 0.10000E+01 volume 0.26107E-03 ppm1 5.104 ppm2 3.790 CV 1
ASSI { 4822}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 49 and name HB# ))
3.600 1.600 1.600 peak 4822 weight 0.10000E+01 volume 0.42398E-03 ppm1 4.977 ppm2 1.939 CV 1
ASSI { 4826}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 70 and name HD# )
4.100 2.100 1.900 peak 4826 weight 0.10000E+01 volume 0.19584E-03 ppm1 4.554 ppm2 0.478 CV 1
ASSI { 4828}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 113 and name HB# ))
4.700 2.800 1.300 peak 4828 weight 0.10000E+01 volume 0.85477E-04 ppm1 4.555 ppm2 2.694 CV 1
ASSI { 4833}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 77 and name HN ))
5.500 3.700 0.500 peak 4833 weight 0.10000E+01 volume 0.35925E-04 ppm1 4.559 ppm2 8.451 CV 1
ASSI { 4838}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 112 and name HB# ))
5.000 3.100 1.000 peak 4838 weight 0.10000E+01 volume 0.60391E-04 ppm1 6.710 ppm2 4.264 CV 1
ASSI { 4839}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 79 and name HB# ))
4.700 2.800 1.300 peak 4839 weight 0.10000E+01 volume 0.87748E-04 ppm1 6.716 ppm2 2.633 CV 1
ASSI { 4845}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 75 and name HB# ))
4.300 2.300 1.700 peak 4845 weight 0.10000E+01 volume 0.15702E-03 ppm1 4.356 ppm2 1.974 CV 1
ASSI { 4850}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 46 and name HB# ))
3.800 1.800 1.800 peak 4850 weight 0.10000E+01 volume 0.32570E-03 ppm1 4.405 ppm2 1.847 CV 1
ASSI { 4857}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 67 and name HG# ))
4.200 2.200 1.800 peak 4857 weight 0.10000E+01 volume 0.16527E-03 ppm1 3.856 ppm2 1.535 CV 1
ASSI { 4863}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 83 and name HA ))
3.500 1.600 1.600 peak 4863 weight 0.10000E+01 volume 0.49882E-03 ppm1 4.052 ppm2 4.323 CV 1
ASSI { 4864}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 81 and name HA ))
5.000 3.100 1.000 peak 4864 weight 0.10000E+01 volume 0.63592E-04 ppm1 4.050 ppm2 5.080 CV 1
ASSI { 4870}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 38 and name HB% )
4.400 2.400 1.600 peak 4870 weight 0.10000E+01 volume 0.12667E-03 ppm1 4.217 ppm2 1.203 CV 1
ASSI { 4877}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 109 and name HD# )
5.200 3.400 0.800 peak 4877 weight 0.10000E+01 volume 0.45835E-04 ppm1 4.353 ppm2 0.291 CV 1
ASSI { 4880}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HB# ))
5.100 3.200 0.900 peak 4880 weight 0.10000E+01 volume 0.55436E-04 ppm1 3.074 ppm2 1.881 CV 1
ASSI { 4881}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HB# ))
4.500 2.500 1.500 peak 4881 weight 0.10000E+01 volume 0.11469E-03 ppm1 3.072 ppm2 2.267 CV 1
ASSI { 4885}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 23 and name HN ))
4.800 2.900 1.200 peak 4885 weight 0.10000E+01 volume 0.77528E-04 ppm1 4.039 ppm2 8.298 CV 1
ASSI { 4889}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HB# ))
4.500 2.500 1.500 peak 4889 weight 0.10000E+01 volume 0.11294E-03 ppm1 4.464 ppm2 1.263 CV 1
ASSI { 4890}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 50 and name HG# ))
4.300 2.300 1.700 peak 4890 weight 0.10000E+01 volume 0.15526E-03 ppm1 4.467 ppm2 1.020 CV 1
ASSI { 4894}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 55 and name HB# ))
3.800 1.800 1.800 peak 4894 weight 0.10000E+01 volume 0.30041E-03 ppm1 4.161 ppm2 3.647 CV 1
ASSI { 4895}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 107 and name HG ))
4.400 2.400 1.600 peak 4895 weight 0.10000E+01 volume 0.13276E-03 ppm1 4.262 ppm2 0.752 CV 1
ASSI { 4901}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 107 and name HG ))
4.100 2.100 1.900 peak 4901 weight 0.10000E+01 volume 0.20327E-03 ppm1 4.257 ppm2 0.771 CV 1
ASSI { 4903}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 88 and name HB# ))
4.200 2.300 1.800 peak 4903 weight 0.10000E+01 volume 0.16249E-03 ppm1 4.427 ppm2 2.048 CV 1
ASSI { 4904}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 89 and name HN ))
4.900 3.000 1.100 peak 4904 weight 0.10000E+01 volume 0.71747E-04 ppm1 4.433 ppm2 8.598 CV 1
ASSI { 4905}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 27 and name HN ))
4.800 2.900 1.200 peak 4905 weight 0.10000E+01 volume 0.78561E-04 ppm1 3.973 ppm2 8.057 CV 1
ASSI { 4907}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 98 and name HB# ))
4.800 2.900 1.200 peak 4907 weight 0.10000E+01 volume 0.76289E-04 ppm1 3.966 ppm2 2.325 CV 1
ASSI { 4909}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 28 and name HG# ))
6.000 4.700 0.000 peak 4909 weight 0.10000E+01 volume 0.17962E-04 ppm1 3.816 ppm2 1.955 CV 1
ASSI { 4915}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 105 and name HN ))
4.100 2.100 1.900 peak 4915 weight 0.10000E+01 volume 0.19191E-03 ppm1 4.445 ppm2 7.851 CV 1
ASSI { 4919}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HE# ))
4.800 2.800 1.200 peak 4919 weight 0.10000E+01 volume 0.80728E-04 ppm1 4.005 ppm2 2.853 CV 1
ASSI { 4920}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 79 and name HN ))
5.000 3.100 1.000 peak 4920 weight 0.10000E+01 volume 0.60082E-04 ppm1 3.402 ppm2 9.152 CV 1
ASSI { 4921}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 116 and name HA ))
4.900 3.000 1.100 peak 4921 weight 0.10000E+01 volume 0.66172E-04 ppm1 3.391 ppm2 4.148 CV 1
ASSI { 4923}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 114 and name HG# ))
4.400 2.400 1.600 peak 4923 weight 0.10000E+01 volume 0.12697E-03 ppm1 3.399 ppm2 2.239 CV 1
ASSI { 4924}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 114 and name HB# ))
5.200 3.300 0.800 peak 4924 weight 0.10000E+01 volume 0.50378E-04 ppm1 3.397 ppm2 2.055 CV 1
ASSI { 4926}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 81 and name HD% )
6.000 5.100 0.000 peak 4926 weight 0.10000E+01 volume 0.14349E-04 ppm1 5.201 ppm2 6.883 CV 1
ASSI { 4927}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 80 and name HB# ))
4.600 2.600 1.400 peak 4927 weight 0.10000E+01 volume 0.10478E-03 ppm1 5.205 ppm2 2.793 CV 1
ASSI { 4928}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 79 and name HB# ))
4.900 3.000 1.100 peak 4928 weight 0.10000E+01 volume 0.66276E-04 ppm1 5.207 ppm2 2.585 CV 1
ASSI { 4929}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 98 and name HG# ))
4.000 2.000 2.000 peak 4929 weight 0.10000E+01 volume 0.24672E-03 ppm1 3.993 ppm2 2.603 CV 1
ASSI { 4932}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
4.800 2.900 1.200 peak 4932 weight 0.10000E+01 volume 0.74638E-04 ppm1 4.199 ppm2 8.066 CV 1
ASSI { 4937}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 67 and name HN ))
4.500 2.500 1.500 peak 4937 weight 0.10000E+01 volume 0.12212E-03 ppm1 3.937 ppm2 8.554 CV 1
ASSI { 4938}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 65 and name HB# ))
4.100 2.100 1.900 peak 4938 weight 0.10000E+01 volume 0.18902E-03 ppm1 4.282 ppm2 1.835 CV 1
ASSI { 4949}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 98 and name HG# ))
3.600 1.600 1.600 peak 4949 weight 0.10000E+01 volume 0.44060E-03 ppm1 4.155 ppm2 2.602 CV 1
ASSI { 4950}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 99 and name HB# ))
6.000 4.400 0.000 peak 4950 weight 0.10000E+01 volume 0.21266E-04 ppm1 4.154 ppm2 1.799 CV 1
ASSI { 4954}
(( segid " " and resid 103 and name HA ))
( segid " " and resid 105 and name HD% )
4.700 2.800 1.300 peak 4954 weight 0.10000E+01 volume 0.84754E-04 ppm1 4.067 ppm2 7.092 CV 1
ASSI { 4957}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HB# ))
4.900 3.000 1.100 peak 4957 weight 0.10000E+01 volume 0.68443E-04 ppm1 5.114 ppm2 1.606 CV 1
ASSI { 4961}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 25 and name HG# ))
4.900 3.000 1.100 peak 4961 weight 0.10000E+01 volume 0.68960E-04 ppm1 3.186 ppm2 1.456 CV 1
ASSI { 4966}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 23 and name HN ))
4.700 2.800 1.300 peak 4966 weight 0.10000E+01 volume 0.84444E-04 ppm1 4.112 ppm2 8.319 CV 1
ASSI { 4969}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HA# ))
6.000 4.800 0.000 peak 4969 weight 0.10000E+01 volume 0.16311E-04 ppm1 4.114 ppm2 3.059 CV 1
ASSI { 4970}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HA ))
4.400 2.400 1.600 peak 4970 weight 0.10000E+01 volume 0.13048E-03 ppm1 4.118 ppm2 3.876 CV 1
ASSI { 4972}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 24 and name HG# ))
3.200 1.300 1.300 peak 4972 weight 0.10000E+01 volume 0.80832E-03 ppm1 3.886 ppm2 1.620 CV 1
OR { 4972}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 24 and name HB# ))
ASSI { 4974}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HE# ))
6.000 4.900 0.000 peak 4974 weight 0.10000E+01 volume 0.15898E-04 ppm1 3.889 ppm2 2.885 CV 1
ASSI { 4976}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HB# ))
6.000 5.100 0.000 peak 4976 weight 0.10000E+01 volume 0.13730E-04 ppm1 3.886 ppm2 1.215 CV 1
ASSI { 4977}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HG# ))
6.000 4.900 0.000 peak 4977 weight 0.10000E+01 volume 0.15795E-04 ppm1 5.725 ppm2 2.596 CV 1
ASSI { 4978}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 34 and name HA ))
6.000 5.000 0.000 peak 4978 weight 0.10000E+01 volume 0.15278E-04 ppm1 5.726 ppm2 4.930 CV 1
ASSI { 4979}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 111 and name HD% )
4.700 2.700 1.300 peak 4979 weight 0.10000E+01 volume 0.93735E-04 ppm1 5.728 ppm2 6.815 CV 1
ASSI { 4981}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 5 and name HE% )
4.600 2.700 1.400 peak 4981 weight 0.10000E+01 volume 0.95387E-04 ppm1 5.727 ppm2 7.404 CV 1
ASSI { 4982}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 111 and name HN ))
4.800 2.900 1.200 peak 4982 weight 0.10000E+01 volume 0.78148E-04 ppm1 5.729 ppm2 8.547 CV 1
ASSI { 4983}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 81 and name HB# ))
3.200 1.300 1.300 peak 4983 weight 0.10000E+01 volume 0.90185E-03 ppm1 4.558 ppm2 2.668 CV 1
ASSI { 4992}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HD# ))
4.800 2.900 1.200 peak 4992 weight 0.10000E+01 volume 0.78457E-04 ppm1 3.764 ppm2 1.775 CV 1
ASSI { 4995}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 42 and name HB# ))
4.200 2.200 1.800 peak 4995 weight 0.10000E+01 volume 0.16971E-03 ppm1 4.453 ppm2 1.889 CV 1
ASSI { 5000}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 56 and name HN ))
3.400 1.500 1.500 peak 5000 weight 0.10000E+01 volume 0.59297E-03 ppm1 3.702 ppm2 8.247 CV 1
ASSI { 5001}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 93 and name HG# ))
4.200 2.200 1.800 peak 5001 weight 0.10000E+01 volume 0.16703E-03 ppm1 3.695 ppm2 2.209 CV 1
ASSI { 5002}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 57 and name HB# ))
5.300 3.600 0.700 peak 5002 weight 0.10000E+01 volume 0.40984E-04 ppm1 3.697 ppm2 1.690 CV 1
ASSI { 5005}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 56 and name HB# ))
6.000 4.800 0.000 peak 5005 weight 0.10000E+01 volume 0.16930E-04 ppm1 3.701 ppm2 2.807 CV 1
ASSI { 5015}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 21 and name HA ))
5.900 4.300 0.100 peak 5015 weight 0.10000E+01 volume 0.23640E-04 ppm1 3.608 ppm2 3.202 CV 1
ASSI { 5016}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 24 and name HD# ))
5.200 3.300 0.800 peak 5016 weight 0.10000E+01 volume 0.50688E-04 ppm1 3.611 ppm2 2.802 CV 1
ASSI { 5021}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 66 and name HN ))
4.000 2.000 2.000 peak 5021 weight 0.10000E+01 volume 0.21875E-03 ppm1 4.469 ppm2 7.814 CV 1
ASSI { 5022}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HB# ))
4.100 2.100 1.900 peak 5022 weight 0.10000E+01 volume 0.20234E-03 ppm1 4.185 ppm2 3.463 CV 1
ASSI { 5026}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 69 and name HG# ))
3.200 1.300 1.300 peak 5026 weight 0.10000E+01 volume 0.87593E-03 ppm1 3.431 ppm2 1.911 CV 1
OR { 5026}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 69 and name HB# ))
ASSI { 5031}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 111 and name HD% )
6.000 5.000 0.000 peak 5031 weight 0.10000E+01 volume 0.14969E-04 ppm1 3.431 ppm2 6.846 CV 1
ASSI { 5036}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 67 and name HA ))
5.200 3.300 0.800 peak 5036 weight 0.10000E+01 volume 0.50481E-04 ppm1 4.041 ppm2 3.412 CV 1
ASSI { 5037}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HB# ))
4.400 2.500 1.600 peak 5037 weight 0.10000E+01 volume 0.12305E-03 ppm1 4.031 ppm2 1.823 CV 1
OR { 5037}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HG ))
ASSI { 5042}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HG# ))
4.200 2.200 1.800 peak 5042 weight 0.10000E+01 volume 0.17354E-03 ppm1 4.365 ppm2 2.183 CV 1
ASSI { 5043}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HG# ))
4.400 2.400 1.600 peak 5043 weight 0.10000E+01 volume 0.13059E-03 ppm1 4.362 ppm2 1.848 CV 1
ASSI { 5045}
(( segid " " and resid 115 and name HB# ))
(( segid " " and resid 79 and name HB# ))
3.400 1.500 1.500 peak 5045 weight 0.10000E+01 volume 0.57986E-03 ppm1 3.490 ppm2 2.614 CV 1
ASSI { 5048}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 56 and name HN ))
3.900 1.900 1.900 peak 5048 weight 0.10000E+01 volume 0.25230E-03 ppm1 3.658 ppm2 8.253 CV 1
ASSI { 5049}
(( segid " " and resid 55 and name HB# ))
(( segid " " and resid 56 and name HN ))
3.600 1.600 1.600 peak 5049 weight 0.10000E+01 volume 0.43472E-03 ppm1 3.726 ppm2 8.239 CV 1
ASSI { 5050}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 17 and name HN ))
4.700 2.800 1.300 peak 5050 weight 0.10000E+01 volume 0.84238E-04 ppm1 3.964 ppm2 8.868 CV 1
ASSI { 5052}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 17 and name HD# ))
6.000 4.800 0.000 peak 5052 weight 0.10000E+01 volume 0.16723E-04 ppm1 3.967 ppm2 3.346 CV 1
ASSI { 5056}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 101 and name HA ))
4.300 2.300 1.700 peak 5056 weight 0.10000E+01 volume 0.15340E-03 ppm1 3.860 ppm2 4.253 CV 1
ASSI { 5063}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 57 and name HN ))
4.600 2.600 1.400 peak 5063 weight 0.10000E+01 volume 0.10654E-03 ppm1 4.480 ppm2 7.443 CV 1
ASSI { 5066}
(( segid " " and resid 90 and name HB# ))
(( segid " " and resid 89 and name HB ))
3.400 1.500 1.500 peak 5066 weight 0.10000E+01 volume 0.56509E-03 ppm1 3.910 ppm2 4.238 CV 1
ASSI { 5067}
(( segid " " and resid 90 and name HB# ))
(( segid " " and resid 89 and name HB ))
3.500 1.500 1.500 peak 5067 weight 0.10000E+01 volume 0.50935E-03 ppm1 4.109 ppm2 4.238 CV 1
ASSI { 5070}
(( segid " " and resid 2 and name HB# ))
(( segid " " and resid 3 and name HG# ))
4.200 2.200 1.800 peak 5070 weight 0.10000E+01 volume 0.18520E-03 ppm1 3.834 ppm2 2.176 CV 1
ASSI { 5071}
(( segid " " and resid 2 and name HB# ))
(( segid " " and resid 4 and name HG# ))
5.100 3.200 0.900 peak 5071 weight 0.10000E+01 volume 0.56675E-04 ppm1 3.831 ppm2 1.208 CV 1
ASSI { 5073}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 30 and name HB# ))
5.000 3.200 1.000 peak 5073 weight 0.10000E+01 volume 0.57810E-04 ppm1 4.444 ppm2 1.128 CV 1
ASSI { 5078}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 24 and name HD# ))
6.000 4.600 0.000 peak 5078 weight 0.10000E+01 volume 0.19304E-04 ppm1 4.442 ppm2 2.824 CV 1
ASSI { 5084}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 20 and name HA# ))
5.500 3.800 0.500 peak 5084 weight 0.10000E+01 volume 0.33654E-04 ppm1 3.759 ppm2 3.075 CV 1
ASSI { 5088}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 60 and name HA# ))
3.900 1.900 1.900 peak 5088 weight 0.10000E+01 volume 0.28771E-03 ppm1 3.877 ppm2 4.112 CV 1
ASSI { 5090}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 87 and name HG# ))
6.000 5.000 0.000 peak 5090 weight 0.10000E+01 volume 0.14453E-04 ppm1 3.884 ppm2 2.151 CV 1
OR { 5090}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 87 and name HB# ))
ASSI { 5091}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 91 and name HB% )
4.900 3.000 1.100 peak 5091 weight 0.10000E+01 volume 0.71127E-04 ppm1 3.885 ppm2 1.517 CV 1
ASSI { 5093}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 118 and name HA# ))
5.200 3.400 0.800 peak 5093 weight 0.10000E+01 volume 0.46765E-04 ppm1 4.242 ppm2 3.683 CV 1
ASSI { 5098}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 38 and name HA ))
4.000 2.000 2.000 peak 5098 weight 0.10000E+01 volume 0.23330E-03 ppm1 3.922 ppm2 4.399 CV 1
ASSI { 5100}
(( segid " " and resid 112 and name HB# ))
(( segid " " and resid 114 and name HB# ))
4.100 2.100 1.900 peak 5100 weight 0.10000E+01 volume 0.19140E-03 ppm1 3.928 ppm2 1.868 CV 1
ASSI { 5102}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
4.800 2.800 1.200 peak 5102 weight 0.10000E+01 volume 0.82587E-04 ppm1 3.715 ppm2 10.534 CV 1
ASSI { 5108}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 80 and name HE% )
4.500 2.600 1.500 peak 5108 weight 0.10000E+01 volume 0.11056E-03 ppm1 3.681 ppm2 6.653 CV 1
ASSI { 5110}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 58 and name HN ))
6.000 4.800 0.000 peak 5110 weight 0.10000E+01 volume 0.16518E-04 ppm1 3.678 ppm2 8.720 CV 1
ASSI { 5121}
(( segid " " and resid 78 and name HB# ))
(( segid " " and resid 80 and name HZ ))
5.300 3.500 0.700 peak 5121 weight 0.10000E+01 volume 0.44700E-04 ppm1 1.110 ppm2 6.419 CV 1
ASSI { 5125}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 19 and name HG# ))
4.100 2.100 1.900 peak 5125 weight 0.10000E+01 volume 0.19646E-03 ppm1 2.772 ppm2 2.438 CV 1
ASSI { 5126}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 19 and name HB# ))
4.000 2.000 2.000 peak 5126 weight 0.10000E+01 volume 0.24508E-03 ppm1 2.770 ppm2 2.345 CV 1
OR { 5126}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 19 and name HG# ))
ASSI { 5127}
(( segid " " and resid 50 and name HE# ))
(( segid " " and resid 19 and name HB# ))
4.400 2.400 1.600 peak 5127 weight 0.10000E+01 volume 0.12956E-03 ppm1 2.772 ppm2 2.256 CV 1
ASSI { 5129}
(( segid " " and resid 106 and name HB# ))
( segid " " and resid 106 and name HE% )
4.700 2.700 1.300 peak 5129 weight 0.10000E+01 volume 0.92290E-04 ppm1 2.019 ppm2 7.223 CV 1
ASSI { 5133}
(( segid " " and resid 16 and name HD# ))
( segid " " and resid 106 and name HE% )
4.100 2.100 1.900 peak 5133 weight 0.10000E+01 volume 0.20161E-03 ppm1 2.303 ppm2 7.221 CV 1
ASSI { 5136}
(( segid " " and resid 8 and name HG# ))
(( segid " " and resid 34 and name HB ))
4.000 2.000 2.000 peak 5136 weight 0.10000E+01 volume 0.22835E-03 ppm1 2.310 ppm2 1.275 CV 1
ASSI { 5137}
(( segid " " and resid 8 and name HG# ))
(( segid " " and resid 5 and name HB# ))
5.200 3.400 0.800 peak 5137 weight 0.10000E+01 volume 0.46868E-04 ppm1 2.316 ppm2 2.622 CV 1
ASSI { 5143}
(( segid " " and resid 32 and name HG# ))
( segid " " and resid 106 and name HD% )
5.500 3.800 0.500 peak 5143 weight 0.10000E+01 volume 0.34687E-04 ppm1 1.432 ppm2 6.859 CV 1
ASSI { 5153}
(( segid " " and resid 67 and name HG# ))
(( segid " " and resid 72 and name HN ))
6.000 4.500 0.000 peak 5153 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.170 ppm2 7.809 CV 1
ASSI { 5155}
(( segid " " and resid 80 and name HB# ))
( segid " " and resid 63 and name HE% )
6.000 4.500 0.000 peak 5155 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.810 ppm2 6.150 CV 1
ASSI { 5157}
(( segid " " and resid 19 and name HB# ))
(( segid " " and resid 18 and name HA ))
6.000 4.500 0.000 peak 5157 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.271 ppm2 4.251 CV 1
ASSI { 5159}
(( segid " " and resid 80 and name HB# ))
( segid " " and resid 89 and name HG# )
6.000 4.500 0.000 peak 5159 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.839 ppm2 1.351 CV 1
ASSI { 5164}
(( segid " " and resid 22 and name HB# ))
(( segid " " and resid 22 and name HE# ))
5.300 3.500 0.700 peak 5164 weight 0.10000E+01 volume 0.45113E-04 ppm1 1.909 ppm2 2.949 CV 1
ASSI { 5178}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 15 and name HD# ))
4.100 2.100 1.900 peak 5178 weight 0.10000E+01 volume 0.21380E-03 ppm1 3.717 ppm2 1.786 CV 1
ASSI { 5186}
(( segid " " and resid 12 and name HD# ))
(( segid " " and resid 15 and name HG# ))
5.400 3.700 0.600 peak 5186 weight 0.10000E+01 volume 0.37164E-04 ppm1 4.011 ppm2 1.579 CV 1
ASSI { 5189}
(( segid " " and resid 102 and name HG# ))
(( segid " " and resid 100 and name HB# ))
3.200 1.300 1.300 peak 5189 weight 0.10000E+01 volume 0.82391E-03 ppm1 2.442 ppm2 3.056 CV 1
ASSI { 5192}
(( segid " " and resid 102 and name HG# ))
(( segid " " and resid 103 and name HN ))
5.400 3.700 0.600 peak 5192 weight 0.10000E+01 volume 0.36441E-04 ppm1 2.448 ppm2 7.855 CV 1
ASSI { 5195}
(( segid " " and resid 21 and name HG# ))
(( segid " " and resid 22 and name HN ))
4.700 2.800 1.300 peak 5195 weight 0.10000E+01 volume 0.86303E-04 ppm1 1.920 ppm2 7.441 CV 1
ASSI { 5197}
(( segid " " and resid 100 and name HB# ))
(( segid " " and resid 96 and name HB# ))
5.400 3.600 0.600 peak 5197 weight 0.10000E+01 volume 0.39951E-04 ppm1 3.080 ppm2 1.820 CV 1
ASSI { 5201}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 33 and name HN ))
5.500 3.700 0.500 peak 5201 weight 0.10000E+01 volume 0.36132E-04 ppm1 0.372 ppm2 8.896 CV 1
ASSI { 5203}
( segid " " and resid 31 and name HG# )
( segid " " and resid 97 and name HE% )
4.800 2.900 1.200 peak 5203 weight 0.10000E+01 volume 0.75877E-04 ppm1 0.377 ppm2 6.712 CV 1
ASSI { 5209}
( segid " " and resid 31 and name HG# )
(( segid " " and resid 96 and name HB# ))
5.100 3.200 0.900 peak 5209 weight 0.10000E+01 volume 0.54404E-04 ppm1 0.379 ppm2 1.627 CV 1
ASSI { 5213}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 22 and name HN ))
5.000 3.100 1.000 peak 5213 weight 0.10000E+01 volume 0.59566E-04 ppm1 4.260 ppm2 7.464 CV 1
ASSI { 5216}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HN ))
5.000 3.100 1.000 peak 5216 weight 0.10000E+01 volume 0.59566E-04 ppm1 3.770 ppm2 8.040 CV 1
ASSI { 5232}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 110 and name HA ))
4.000 2.000 2.000 peak 5232 weight 0.10000E+01 volume 0.24797E-03 ppm1 1.628 ppm2 6.515 CV 1
ASSI { 5241}
( segid " " and resid 6 and name HG# )
(( segid " " and resid 7 and name HN ))
4.300 2.300 1.700 peak 5241 weight 0.10000E+01 volume 0.15381E-03 ppm1 1.131 ppm2 10.541 CV 1
ASSI { 5243}
( segid " " and resid 34 and name HG# )
(( segid " " and resid 7 and name HN ))
5.300 3.500 0.700 peak 5243 weight 0.10000E+01 volume 0.42119E-04 ppm1 0.665 ppm2 10.531 CV 1
ASSI { 5251}
(( segid " " and resid 16 and name HG# ))
(( segid " " and resid 16 and name HD# ))
5.800 4.200 0.200 peak 5251 weight 0.10000E+01 volume 0.25189E-04 ppm1 1.563 ppm2 2.169 CV 1
ASSI { 5256}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
4.300 2.300 1.700 peak 5256 weight 0.10000E+01 volume 0.15041E-03 ppm1 4.364 ppm2 10.516 CV 1
ASSI { 2343}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 5 and name HB# ))
3.100 1.200 1.200 peak 2343 weight 0.20000E+01 volume 0.10586E-02 ppm1 1.556 ppm2 2.632 CV 1
ASSI { 2347}
(( segid " " and resid 8 and name HB# ))
(( segid " " and resid 8 and name HN ))
3.900 1.900 1.900 peak 2347 weight 0.20000E+01 volume 0.28420E-03 ppm1 1.427 ppm2 6.910 CV 1
ASSI { 1053}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HB# ))
2.300 0.600 0.600 peak 1053 weight 0.20000E+01 volume 0.71284E-02 ppm1 3.716 ppm2 2.144 CV 1
ASSI { 3415}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HB# ))
2.900 1.000 1.000 peak 3415 weight 0.20000E+01 volume 0.17041E-02 ppm1 4.364 ppm2 1.717 CV 1
ASSI { 1640}
(( segid " " and resid 13 and name HB# ))
(( segid " " and resid 12 and name HB# ))
3.400 1.500 1.500 peak 1640 weight 0.20000E+01 volume 0.59658E-03 ppm1 3.480 ppm2 2.093 CV 1
ASSI { 5249}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HN ))
4.700 2.700 1.300 peak 5249 weight 0.20000E+01 volume 0.93529E-04 ppm1 3.770 ppm2 8.904 CV 1
ASSI { 3699}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HN ))
3.500 1.600 1.600 peak 3699 weight 0.20000E+01 volume 0.48086E-03 ppm1 4.198 ppm2 7.604 CV 1
ASSI { 1710}
(( segid " " and resid 27 and name HB# ))
(( segid " " and resid 30 and name HG# ))
2.800 1.000 1.000 peak 1710 weight 0.20000E+01 volume 0.20070E-02 ppm1 2.653 ppm2 1.290 CV 1
ASSI { 1501}
(( segid " " and resid 68 and name HE# ))
(( segid " " and resid 68 and name HN ))
3.800 1.800 1.800 peak 1501 weight 0.20000E+01 volume 0.32395E-03 ppm1 2.843 ppm2 7.324 CV 1
ASSI { 2680}
(( segid " " and resid 70 and name HG1#))
(( segid " " and resid 72 and name HN ))
2.900 1.100 1.100 peak 2680 weight 0.20000E+01 volume 0.15780E-02 ppm1 1.328 ppm2 7.806 CV 1
ASSI { 1764}
(( segid " " and resid 83 and name HB# ))
( segid " " and resid 82 and name HG# )
3.400 1.400 1.400 peak 1764 weight 0.20000E+01 volume 0.66586E-03 ppm1 2.702 ppm2 0.852 CV 1
ASSI { 1771}
(( segid " " and resid 83 and name HB# ))
(( segid " " and resid 83 and name HD21))
2.800 1.000 1.000 peak 1771 weight 0.20000E+01 volume 0.20427E-02 ppm1 2.700 ppm2 7.240 CV 1
ASSI { 3865}
( segid " " and resid 86 and name HD# )
(( segid " " and resid 86 and name HG1#))
1.900 0.400 0.400 peak 3865 weight 0.20000E+01 volume 0.20560E-01 ppm1 0.823 ppm2 1.533 CV 1
ASSI { 3718}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 104 and name HB# ))
3.000 1.100 1.100 peak 3718 weight 0.20000E+01 volume 0.12473E-02 ppm1 4.457 ppm2 2.418 CV 1
ASSI { 3182}
( segid " " and resid 35 and name HG# )
(( segid " " and resid 110 and name HN ))
4.500 2.500 1.500 peak 3182 weight 0.20000E+01 volume 0.12141E-03 ppm1 0.828 ppm2 8.994 CV 1
ASSI { 586}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 117 and name HD% )
2.900 1.100 1.100 peak 586 weight 0.20000E+01 volume 0.15526E-02 ppm1 4.416 ppm2 6.598 CV 1
ASSI { 3620}
(( segid " " and resid 74 and name HB# ))
( segid " " and resid 73 and name HB# )
4.000 2.000 2.000 peak 3620 weight 0.20000E+01 volume 0.15526E-02 ppm1 4.416 ppm2 6.598 CV 1
ASSI { 3621}
(( segid " " and resid 39 and name HD# ))
( segid " " and resid 119 and name HA )
4.200 2.200 1.800 peak 3621 weight 0.20000E+01 volume 0.15526E-02 ppm1 4.416 ppm2 6.598 CV 1
ASSI { 4407}
(( segid " " and resid 67 and name HD# ))
( segid " " and resid 74 and name HB# )
3.100 1.200 1.200 peak 3621 weight 0.20000E+01 volume 0.15526E-02 ppm1 4.416 ppm2 6.598 CV 1
ASSI { 4372} { 5264}
(( segid " " and resid 74 and name HB# ))
( segid " " and resid 75 and name HG# )
3.200 1.300 1.300 peak 3621 weight 0.20000E+01 volume 0.15526E-02 ppm1 4.416 ppm2 6.598 CV 1
ASSI { 5265}
(( segid " " and resid 67 and name HD# ))
( segid " " and resid 72 and name HD# )
4.900 3.000 1.100 peak 3621 weight 0.20000E+01 volume 0.15526E-02 ppm1 4.416 ppm2 6.598 CV 1
ASSI { 642}
(( segid " " and resid 67 and name HD# ))
( segid " " and resid 78 and name HD# )
3.000 1.100 1.100 peak 3621 weight 0.20000E+01 volume 0.15526E-02 ppm1 4.416 ppm2 6.598 CV 1
Contact the webmaster for help, if required. Thursday, May 2, 2024 10:16:31 AM GMT (wattos1)