NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
551093 |
2ly4   |
18709 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 581}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 15 and name H ))
3.100 1.200 1.200 peak 581 spectrum 1 weight .10000E+01 volume .13302E-02 ppm1 9.294 ppm2 7.902 CV 1
ASSI { 355}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HB3 ))
2.700 .900 .900 peak 355 spectrum 1 weight .10000E+01 volume .22670E-02 ppm1 8.718 ppm2 3.347 CV 1
OR { 355}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HB2 ))
ASSI { 459}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 57 and name HA2 ))
3.500 1.500 1.500 peak 459 spectrum 1 weight .10000E+01 volume .73765E-03 ppm1 8.405 ppm2 3.856 CV 1
ASSI { 151}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HG3 ))
3.900 1.900 1.900 peak 151 spectrum 1 weight .10000E+01 volume .78930E-03 ppm1 8.879 ppm2 1.307 CV 1
ASSI { 480}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name H ))
2.700 .900 .900 peak 480 spectrum 1 weight .10000E+01 volume .21539E-02 ppm1 8.065 ppm2 7.779 CV 1
ASSI { 337}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HB3 ))
2.600 .900 .900 peak 337 spectrum 1 weight .10000E+01 volume .35825E-02 ppm1 8.359 ppm2 3.105 CV 1
OR { 337}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HB2 ))
ASSI { 461}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 32 and name HA ))
2.700 .900 .900 peak 461 spectrum 1 weight .10000E+01 volume .34252E-02 ppm1 7.483 ppm2 4.651 CV 1
ASSI { 74}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 22 and name H ))
3.000 1.100 1.100 peak 74 spectrum 1 weight .10000E+01 volume .14409E-02 ppm1 8.142 ppm2 8.359 CV 1
ASSI { 369}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 60 and name H ))
2.600 .900 .900 peak 369 spectrum 1 weight .10000E+01 volume .24023E-02 ppm1 7.273 ppm2 8.402 CV 1
ASSI { 291}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 12 and name HA ))
2.600 .800 .800 peak 291 spectrum 1 weight .10000E+01 volume .37276E-02 ppm1 8.148 ppm2 4.377 CV 1
ASSI { 496}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HA ))
2.700 .900 .900 peak 496 spectrum 1 weight .10000E+01 volume .22843E-02 ppm1 7.785 ppm2 4.262 CV 1
ASSI { 463}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 463 spectrum 1 weight .10000E+01 volume .13425E-02 ppm1 7.273 ppm2 3.376 CV 1
ASSI { 295}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 83 and name HA ))
3.000 1.100 1.100 peak 295 spectrum 1 weight .10000E+01 volume .20015E-02 ppm1 7.885 ppm2 4.145 CV 1
ASSI { 327}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 40 and name HB2 ))
3.800 1.800 1.800 peak 327 spectrum 1 weight .10000E+01 volume .16007E-02 ppm1 8.556 ppm2 2.759 CV 1
ASSI { 493}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name H ))
2.800 1.000 1.000 peak 493 spectrum 1 weight .10000E+01 volume .17950E-02 ppm1 8.606 ppm2 7.368 CV 1
ASSI { 188}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 36 and name HB2 ))
3.500 1.500 1.500 peak 188 spectrum 1 weight .10000E+01 volume .95158E-03 ppm1 7.794 ppm2 2.763 CV 1
ASSI { 544}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HA ))
2.900 1.000 1.000 peak 544 spectrum 1 weight .10000E+01 volume .19572E-02 ppm1 8.428 ppm2 3.759 CV 1
ASSI { 220}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HB2 ))
2.700 .900 .900 peak 220 spectrum 1 weight .10000E+01 volume .19843E-02 ppm1 8.406 ppm2 2.331 CV 1
ASSI { 61}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HB3 ))
3.800 1.800 1.800 peak 61 spectrum 1 weight .10000E+01 volume .13524E-02 ppm1 7.785 ppm2 2.920 CV 1
ASSI { 440}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 43 and name H ))
2.600 .800 .800 peak 440 spectrum 1 weight .10000E+01 volume .27981E-02 ppm1 7.463 ppm2 7.778 CV 1
ASSI { 379}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 36 and name HB2 ))
2.800 .900 .900 peak 379 spectrum 1 weight .10000E+01 volume .19966E-02 ppm1 7.050 ppm2 2.772 CV 1
ASSI { 497}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 36 and name HB2 ))
3.400 1.400 1.400 peak 497 spectrum 1 weight .10000E+01 volume .27539E-02 ppm1 7.720 ppm2 2.769 CV 1
ASSI { 523}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HB3 ))
2.400 .700 .700 peak 523 spectrum 1 weight .10000E+01 volume .50504E-02 ppm1 8.450 ppm2 1.854 CV 1
OR { 523}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 474}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HD2 ))
3.000 1.100 1.100 peak 474 spectrum 1 weight .10000E+01 volume .16941E-02 ppm1 8.344 ppm2 3.842 CV 1
OR { 474}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HD3 ))
ASSI { 483}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name H ))
2.700 .900 .900 peak 483 spectrum 1 weight .10000E+01 volume .27859E-02 ppm1 7.455 ppm2 8.206 CV 1
ASSI { 40}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 48 and name H ))
2.800 1.000 1.000 peak 40 spectrum 1 weight .10000E+01 volume .18490E-02 ppm1 7.936 ppm2 8.714 CV 1
ASSI { 245}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HB2 ))
2.400 .700 .700 peak 245 spectrum 1 weight .10000E+01 volume .70545E-02 ppm1 7.896 ppm2 1.619 CV 1
OR { 245}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HB3 ))
ASSI { 249}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HB3 ))
3.200 1.200 1.200 peak 249 spectrum 1 weight .10000E+01 volume .18048E-02 ppm1 7.958 ppm2 2.488 CV 1
ASSI { 5}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 68 and name HA ))
2.700 .900 .900 peak 5 spectrum 1 weight .10000E+01 volume .35063E-02 ppm1 7.453 ppm2 4.282 CV 1
ASSI { 328}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HB3 ))
2.900 1.100 1.100 peak 328 spectrum 1 weight .10000E+01 volume .12196E-02 ppm1 8.153 ppm2 1.728 CV 1
ASSI { 334}
(( segid "A " and resid 33 and name H ))
( segid "A " and resid 33 and name HB% )
2.200 .600 .600 peak 334 spectrum 1 weight .10000E+01 volume .12095E-01 ppm1 7.483 ppm2 1.405 CV 1
ASSI { 150}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 64 and name H ))
2.800 1.000 1.000 peak 150 spectrum 1 weight .10000E+01 volume .21490E-02 ppm1 7.987 ppm2 8.580 CV 1
ASSI { 538}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 70 and name H ))
2.900 1.000 1.000 peak 538 spectrum 1 weight .10000E+01 volume .14507E-02 ppm1 8.430 ppm2 8.588 CV 1
ASSI { 174}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 51 and name H ))
4.000 2.000 2.000 peak 174 spectrum 1 weight .10000E+01 volume .75732E-03 ppm1 7.677 ppm2 7.116 CV 1
ASSI { 289}
(( segid "A " and resid 65 and name H ))
( segid "A " and resid 65 and name HB% )
2.400 .700 .700 peak 289 spectrum 1 weight .10000E+01 volume .65305E-02 ppm1 7.907 ppm2 1.558 CV 1
ASSI { 394}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HG2 ))
2.500 .800 .800 peak 394 spectrum 1 weight .10000E+01 volume .49178E-02 ppm1 7.649 ppm2 2.357 CV 1
OR { 394}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HG3 ))
ASSI { 14}
(( segid "A " and resid 78 and name H ))
( segid "A " and resid 78 and name HD1%)
3.200 1.200 1.200 peak 14 spectrum 1 weight .10000E+01 volume .26728E-02 ppm1 7.784 ppm2 .781 CV 1
OR { 14}
(( segid "A " and resid 78 and name H ))
( segid "A " and resid 78 and name HG2%)
ASSI { 50}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 70 and name HB3 ))
3.900 1.900 1.900 peak 50 spectrum 1 weight .10000E+01 volume .11679E-02 ppm1 7.954 ppm2 3.128 CV 1
OR { 50}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 70 and name HB2 ))
ASSI { 342}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 70 and name H ))
2.800 1.000 1.000 peak 342 spectrum 1 weight .10000E+01 volume .17359E-02 ppm1 7.955 ppm2 8.584 CV 1
ASSI { 279}
(( segid "A " and resid 53 and name H ))
( segid "A " and resid 53 and name HB% )
2.900 1.100 1.100 peak 279 spectrum 1 weight .10000E+01 volume .20654E-02 ppm1 8.856 ppm2 1.413 CV 1
ASSI { 221}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HG2 ))
4.000 2.000 2.000 peak 221 spectrum 1 weight .10000E+01 volume .66387E-03 ppm1 7.986 ppm2 2.643 CV 1
ASSI { 384}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HB3 ))
2.200 .600 .600 peak 384 spectrum 1 weight .10000E+01 volume .11429E-01 ppm1 8.399 ppm2 1.784 CV 1
OR { 384}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HB2 ))
ASSI { 195}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name H ))
2.900 1.000 1.000 peak 195 spectrum 1 weight .10000E+01 volume .15490E-02 ppm1 8.154 ppm2 8.888 CV 1
ASSI { 81}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 81 and name HB2 ))
3.600 1.600 1.600 peak 81 spectrum 1 weight .10000E+01 volume .12515E-02 ppm1 8.455 ppm2 1.796 CV 1
OR { 81}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 81 and name HB3 ))
ASSI { 468}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HD2 ))
3.900 1.900 1.900 peak 468 spectrum 1 weight .10000E+01 volume .74256E-03 ppm1 8.917 ppm2 3.145 CV 1
ASSI { 312}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 50 and name HB ))
3.400 1.400 1.400 peak 312 spectrum 1 weight .10000E+01 volume .18072E-02 ppm1 7.407 ppm2 4.448 CV 1
ASSI { 6}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HG3 ))
3.100 1.200 1.200 peak 6 spectrum 1 weight .10000E+01 volume .31448E-02 ppm1 8.346 ppm2 2.011 CV 1
OR { 6}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HB3 ))
OR { 6}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HG2 ))
ASSI { 559}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 50 and name H ))
2.400 .700 .700 peak 559 spectrum 1 weight .10000E+01 volume .52006E-02 ppm1 7.124 ppm2 7.406 CV 1
ASSI { 111}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 41 and name HA ))
3.200 1.300 1.300 peak 111 spectrum 1 weight .10000E+01 volume .11212E-02 ppm1 8.069 ppm2 3.733 CV 1
ASSI { 100}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 32 and name H ))
2.300 .700 .700 peak 100 spectrum 1 weight .10000E+01 volume .78780E-02 ppm1 7.483 ppm2 8.520 CV 1
ASSI { 39}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name H ))
2.500 .800 .800 peak 39 spectrum 1 weight .10000E+01 volume .37743E-02 ppm1 7.900 ppm2 8.347 CV 1
ASSI { 501}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HB3 ))
3.100 1.200 1.200 peak 501 spectrum 1 weight .10000E+01 volume .42513E-02 ppm1 7.434 ppm2 1.516 CV 1
ASSI { 32}
(( segid "A " and resid 4 and name H ))
(( segid "A " and resid 3 and name HA3 ))
2.500 .800 .800 peak 32 spectrum 1 weight .10000E+01 volume .79787E-02 ppm1 8.142 ppm2 3.921 CV 1
OR { 32}
(( segid "A " and resid 4 and name H ))
(( segid "A " and resid 3 and name HA2 ))
ASSI { 576}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HG3 ))
3.400 1.400 1.400 peak 576 spectrum 1 weight .10000E+01 volume .11163E-02 ppm1 7.896 ppm2 1.033 CV 1
ASSI { 313}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HB ))
2.400 .700 .700 peak 313 spectrum 1 weight .10000E+01 volume .50994E-02 ppm1 7.784 ppm2 1.642 CV 1
ASSI { 95}
(( segid "A " and resid 77 and name H ))
( segid "A " and resid 76 and name HG2%)
4.200 2.200 1.800 peak 95 spectrum 1 weight .10000E+01 volume .87780E-03 ppm1 7.470 ppm2 1.191 CV 1
ASSI { 68}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 17 and name HB3 ))
3.500 1.500 1.500 peak 68 spectrum 1 weight .10000E+01 volume .15097E-02 ppm1 8.216 ppm2 3.645 CV 1
ASSI { 360}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 57 and name H ))
2.700 .900 .900 peak 360 spectrum 1 weight .10000E+01 volume .22867E-02 ppm1 8.104 ppm2 7.845 CV 1
ASSI { 446}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HG2 ))
3.600 1.600 1.600 peak 446 spectrum 1 weight .10000E+01 volume .89008E-03 ppm1 8.621 ppm2 1.916 CV 1
ASSI { 338}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 49 and name HA ))
3.500 1.500 1.500 peak 338 spectrum 1 weight .10000E+01 volume .84828E-03 ppm1 7.125 ppm2 4.029 CV 1
ASSI { 275}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HB3 ))
3.400 1.400 1.400 peak 275 spectrum 1 weight .10000E+01 volume .27293E-02 ppm1 8.427 ppm2 2.127 CV 1
ASSI { 476}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HB3 ))
3.200 1.300 1.300 peak 476 spectrum 1 weight .10000E+01 volume .16204E-02 ppm1 8.622 ppm2 1.763 CV 1
OR { 476}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HB2 ))
ASSI { 162}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HB3 ))
3.400 1.500 1.500 peak 162 spectrum 1 weight .10000E+01 volume .80896E-03 ppm1 9.004 ppm2 1.629 CV 1
ASSI { 231}
(( segid "A " and resid 66 and name H ))
( segid "A " and resid 17 and name HE% )
4.000 2.000 2.000 peak 231 spectrum 1 weight .10000E+01 volume .62208E-03 ppm1 8.359 ppm2 7.346 CV 1
ASSI { 203}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 72 and name H ))
2.900 1.100 1.100 peak 203 spectrum 1 weight .10000E+01 volume .16892E-02 ppm1 8.425 ppm2 8.000 CV 1
ASSI { 71}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 17 and name HB2 ))
2.600 .800 .800 peak 71 spectrum 1 weight .10000E+01 volume .16499E-02 ppm1 8.214 ppm2 3.376 CV 1
ASSI { 530}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HE3 ))
4.400 2.400 1.600 peak 530 spectrum 1 weight .10000E+01 volume .47946E-03 ppm1 7.774 ppm2 2.910 CV 1
OR { 530}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HE2 ))
ASSI { 18}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HA ))
3.100 1.200 1.200 peak 18 spectrum 1 weight .10000E+01 volume .11876E-02 ppm1 8.972 ppm2 4.378 CV 1
ASSI { 580}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HG2 ))
4.100 2.100 1.900 peak 580 spectrum 1 weight .10000E+01 volume .11286E-02 ppm1 8.105 ppm2 2.358 CV 1
OR { 580}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HG3 ))
ASSI { 448}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HA ))
2.400 .700 .700 peak 448 spectrum 1 weight .10000E+01 volume .50579E-02 ppm1 9.001 ppm2 4.207 CV 1
ASSI { 7}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HB3 ))
3.300 1.400 1.400 peak 7 spectrum 1 weight .10000E+01 volume .25301E-02 ppm1 8.003 ppm2 2.135 CV 1
ASSI { 64}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 69 and name H ))
2.700 .900 .900 peak 64 spectrum 1 weight .10000E+01 volume .24367E-02 ppm1 7.453 ppm2 7.951 CV 1
ASSI { 86}
(( segid "A " and resid 20 and name H ))
( segid "A " and resid 19 and name HG2%)
4.400 2.400 1.600 peak 86 spectrum 1 weight .10000E+01 volume .52620E-03 ppm1 8.130 ppm2 .270 CV 1
ASSI { 299}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 55 and name H ))
3.600 1.600 1.600 peak 299 spectrum 1 weight .10000E+01 volume .69586E-03 ppm1 7.841 ppm2 7.671 CV 1
ASSI { 364}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 82 and name HA3 ))
2.600 .800 .800 peak 364 spectrum 1 weight .10000E+01 volume .55421E-02 ppm1 7.884 ppm2 3.943 CV 1
OR { 364}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 82 and name HA2 ))
ASSI { 228}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name HB3 ))
2.300 .700 .700 peak 228 spectrum 1 weight .10000E+01 volume .43448E-02 ppm1 7.434 ppm2 1.867 CV 1
ASSI { 48}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 56 and name HE2 ))
3.100 1.200 1.200 peak 48 spectrum 1 weight .10000E+01 volume .15712E-02 ppm1 7.124 ppm2 1.244 CV 1
ASSI { 378}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HB3 ))
2.900 1.000 1.000 peak 378 spectrum 1 weight .10000E+01 volume .29530E-02 ppm1 8.570 ppm2 3.795 CV 1
OR { 378}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HB2 ))
ASSI { 585}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HB2 ))
2.600 .900 .900 peak 585 spectrum 1 weight .10000E+01 volume .35924E-02 ppm1 8.605 ppm2 2.573 CV 1
ASSI { 211}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 74 and name H ))
2.600 .800 .800 peak 211 spectrum 1 weight .10000E+01 volume .30145E-02 ppm1 7.496 ppm2 8.453 CV 1
ASSI { 42}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 45 and name H ))
2.800 1.000 1.000 peak 42 spectrum 1 weight .10000E+01 volume .18441E-02 ppm1 8.069 ppm2 8.381 CV 1
ASSI { 375}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 52 and name HB2 ))
3.900 1.900 1.900 peak 375 spectrum 1 weight .10000E+01 volume .71062E-03 ppm1 8.249 ppm2 4.326 CV 1
OR { 375}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 52 and name HA ))
ASSI { 326}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 39 and name HG2 ))
4.700 2.800 1.300 peak 326 spectrum 1 weight .10000E+01 volume .71799E-03 ppm1 7.722 ppm2 2.309 CV 1
ASSI { 358}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HB3 ))
2.900 1.100 1.100 peak 358 spectrum 1 weight .10000E+01 volume .44407E-02 ppm1 8.517 ppm2 1.927 CV 1
OR { 358}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HG3 ))
OR { 358}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HG2 ))
ASSI { 572}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 68 and name HA ))
3.400 1.500 1.500 peak 572 spectrum 1 weight .10000E+01 volume .89503E-03 ppm1 8.004 ppm2 4.257 CV 1
ASSI { 278}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 23 and name HA ))
3.800 1.800 1.800 peak 278 spectrum 1 weight .10000E+01 volume .65897E-03 ppm1 7.980 ppm2 3.738 CV 1
ASSI { 161}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 76 and name HA ))
2.700 .900 .900 peak 161 spectrum 1 weight .10000E+01 volume .41825E-02 ppm1 7.475 ppm2 4.418 CV 1
OR { 161}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 76 and name HB ))
ASSI { 465}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HB2 ))
2.400 .700 .700 peak 465 spectrum 1 weight .10000E+01 volume .35628E-02 ppm1 8.203 ppm2 2.124 CV 1
ASSI { 128}
(( segid "A " and resid 35 and name H ))
( segid "A " and resid 35 and name HG1%)
2.700 .900 .900 peak 128 spectrum 1 weight .10000E+01 volume .30023E-02 ppm1 8.322 ppm2 .519 CV 1
ASSI { 551}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HG2 ))
3.800 1.800 1.800 peak 551 spectrum 1 weight .10000E+01 volume .70814E-03 ppm1 7.319 ppm2 1.677 CV 1
ASSI { 400}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HG3 ))
2.900 1.000 1.000 peak 400 spectrum 1 weight .10000E+01 volume .16228E-02 ppm1 7.374 ppm2 2.201 CV 1
ASSI { 252}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 48 and name HB3 ))
2.900 1.100 1.100 peak 252 spectrum 1 weight .10000E+01 volume .17433E-02 ppm1 7.675 ppm2 3.341 CV 1
OR { 252}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 48 and name HB2 ))
ASSI { 234}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 8 and name HB3 ))
3.300 1.400 1.400 peak 234 spectrum 1 weight .10000E+01 volume .14359E-02 ppm1 8.918 ppm2 1.509 CV 1
OR { 234}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 8 and name HG3 ))
ASSI { 498}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HD3 ))
3.600 1.600 1.600 peak 498 spectrum 1 weight .10000E+01 volume .16327E-02 ppm1 8.204 ppm2 1.755 CV 1
OR { 498}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HD2 ))
ASSI { 408}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HD2 ))
4.400 2.400 1.600 peak 408 spectrum 1 weight .10000E+01 volume .95649E-03 ppm1 7.875 ppm2 1.472 CV 1
OR { 408}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HD3 ))
ASSI { 518}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HB2 ))
2.600 .800 .800 peak 518 spectrum 1 weight .10000E+01 volume .23679E-02 ppm1 8.022 ppm2 1.287 CV 1
ASSI { 445}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HG2 ))
3.100 1.200 1.200 peak 445 spectrum 1 weight .10000E+01 volume .20752E-02 ppm1 7.982 ppm2 2.313 CV 1
ASSI { 283}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name HG3 ))
3.300 1.400 1.400 peak 283 spectrum 1 weight .10000E+01 volume .18712E-02 ppm1 8.142 ppm2 2.234 CV 1
OR { 283}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name HG2 ))
ASSI { 62}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 27 and name H ))
2.700 .900 .900 peak 62 spectrum 1 weight .10000E+01 volume .20777E-02 ppm1 8.228 ppm2 7.973 CV 1
ASSI { 99}
(( segid "A " and resid 20 and name HE22))
(( segid "A " and resid 20 and name HE21))
1.500 .300 .700 peak 99 spectrum 1 weight .10000E+01 volume .28493E-01 ppm1 7.598 ppm2 6.665 CV 1
ASSI { 263}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 83 and name HB2 ))
3.200 1.300 1.300 peak 263 spectrum 1 weight .10000E+01 volume .12515E-02 ppm1 7.884 ppm2 2.065 CV 1
ASSI { 593}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HB2 ))
2.600 .900 .900 peak 593 spectrum 1 weight .10000E+01 volume .39907E-02 ppm1 8.068 ppm2 1.785 CV 1
OR { 593}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HB3 ))
ASSI { 84}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name H ))
2.700 .900 .900 peak 84 spectrum 1 weight .10000E+01 volume .25006E-02 ppm1 7.462 ppm2 8.556 CV 1
ASSI { 457}
(( segid "A " and resid 62 and name H ))
( segid "A " and resid 62 and name HE% )
4.200 2.200 1.800 peak 457 spectrum 1 weight .10000E+01 volume .60489E-03 ppm1 7.373 ppm2 1.904 CV 1
ASSI { 533}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HB3 ))
3.100 1.200 1.200 peak 533 spectrum 1 weight .10000E+01 volume .21638E-02 ppm1 9.002 ppm2 4.050 CV 1
ASSI { 529}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 10 and name HA3 ))
2.800 1.000 1.000 peak 529 spectrum 1 weight .10000E+01 volume .31547E-02 ppm1 8.622 ppm2 3.639 CV 1
ASSI { 277}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 66 and name H ))
2.600 .900 .900 peak 277 spectrum 1 weight .10000E+01 volume .30293E-02 ppm1 7.910 ppm2 8.359 CV 1
ASSI { 591}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 50 and name HA ))
2.800 .900 .900 peak 591 spectrum 1 weight .10000E+01 volume .30981E-02 ppm1 7.407 ppm2 4.374 CV 1
ASSI { 280}
(( segid "A " and resid 17 and name H ))
( segid "A " and resid 17 and name HE% )
4.400 2.400 1.600 peak 280 spectrum 1 weight .10000E+01 volume .11704E-02 ppm1 8.217 ppm2 7.295 CV 1
ASSI { 177}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HB2 ))
2.900 1.100 1.100 peak 177 spectrum 1 weight .10000E+01 volume .13425E-02 ppm1 8.353 ppm2 2.465 CV 1
ASSI { 589}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name HB2 ))
3.900 1.900 1.900 peak 589 spectrum 1 weight .10000E+01 volume .14384E-02 ppm1 7.977 ppm2 3.163 CV 1
ASSI { 28}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 80 and name HB3 ))
3.200 1.300 1.300 peak 28 spectrum 1 weight .10000E+01 volume .30981E-02 ppm1 8.402 ppm2 1.879 CV 1
ASSI { 489}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name HB2 ))
3.100 1.200 1.200 peak 489 spectrum 1 weight .10000E+01 volume .98109E-03 ppm1 8.143 ppm2 2.065 CV 1
OR { 489}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name HB3 ))
ASSI { 486}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HB2 ))
2.600 .800 .800 peak 486 spectrum 1 weight .10000E+01 volume .23383E-02 ppm1 7.650 ppm2 2.134 CV 1
ASSI { 134}
(( segid "A " and resid 15 and name H ))
( segid "A " and resid 15 and name HD% )
4.400 2.400 1.600 peak 134 spectrum 1 weight .10000E+01 volume .75979E-03 ppm1 7.913 ppm2 5.795 CV 1
ASSI { 30}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 57 and name HA2 ))
3.800 1.800 1.800 peak 30 spectrum 1 weight .10000E+01 volume .93682E-03 ppm1 7.871 ppm2 3.852 CV 1
ASSI { 11}
(( segid "A " and resid 41 and name H ))
( segid "A " and resid 40 and name HD% )
3.800 1.800 1.800 peak 11 spectrum 1 weight .10000E+01 volume .68601E-03 ppm1 8.561 ppm2 6.874 CV 1
ASSI { 332}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HB2 ))
3.200 1.300 1.300 peak 332 spectrum 1 weight .10000E+01 volume .11384E-02 ppm1 8.515 ppm2 2.355 CV 1
ASSI { 3}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name H ))
2.600 .900 .900 peak 3 spectrum 1 weight .10000E+01 volume .26039E-02 ppm1 8.202 ppm2 8.363 CV 1
ASSI { 79}
(( segid "A " and resid 59 and name H ))
( segid "A " and resid 59 and name HD% )
3.000 1.200 1.200 peak 79 spectrum 1 weight .10000E+01 volume .11335E-02 ppm1 7.274 ppm2 7.598 CV 1
ASSI { 455}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HG3 ))
3.400 1.400 1.400 peak 455 spectrum 1 weight .10000E+01 volume .19621E-02 ppm1 8.397 ppm2 1.453 CV 1
OR { 455}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HG2 ))
ASSI { 182}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HB3 ))
2.700 .900 .900 peak 182 spectrum 1 weight .10000E+01 volume .44579E-02 ppm1 7.620 ppm2 1.523 CV 1
OR { 182}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HB2 ))
OR { 182}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HD3 ))
ASSI { 135}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HG3 ))
3.100 1.200 1.200 peak 135 spectrum 1 weight .10000E+01 volume .10598E-02 ppm1 7.617 ppm2 1.160 CV 1
ASSI { 558}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 52 and name H ))
4.100 2.100 1.900 peak 558 spectrum 1 weight .10000E+01 volume .93930E-03 ppm1 7.124 ppm2 9.003 CV 1
ASSI { 488}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HB ))
2.900 1.100 1.100 peak 488 spectrum 1 weight .10000E+01 volume .28547E-02 ppm1 8.322 ppm2 1.648 CV 1
ASSI { 438}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 36 and name HB2 ))
3.100 1.200 1.200 peak 438 spectrum 1 weight .10000E+01 volume .70324E-03 ppm1 8.658 ppm2 2.748 CV 1
ASSI { 564}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HA ))
2.600 .800 .800 peak 564 spectrum 1 weight .10000E+01 volume .33490E-02 ppm1 9.003 ppm2 4.335 CV 1
OR { 564}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HB2 ))
ASSI { 590}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 30 and name H ))
2.400 .700 .700 peak 590 spectrum 1 weight .10000E+01 volume .46373E-02 ppm1 7.433 ppm2 8.021 CV 1
ASSI { 526}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HG13))
3.200 1.300 1.300 peak 526 spectrum 1 weight .10000E+01 volume .14507E-02 ppm1 7.784 ppm2 1.006 CV 1
ASSI { 356}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HA ))
3.000 1.100 1.100 peak 356 spectrum 1 weight .10000E+01 volume .16474E-02 ppm1 7.373 ppm2 3.766 CV 1
ASSI { 269}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HB2 ))
4.400 2.400 1.600 peak 269 spectrum 1 weight .10000E+01 volume .76222E-03 ppm1 7.266 ppm2 1.319 CV 1
ASSI { 165}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 66 and name HA ))
3.300 1.300 1.300 peak 165 spectrum 1 weight .10000E+01 volume .10573E-02 ppm1 7.956 ppm2 4.922 CV 1
ASSI { 288}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 33 and name HA ))
2.600 .800 .800 peak 288 spectrum 1 weight .10000E+01 volume .49152E-02 ppm1 7.484 ppm2 4.433 CV 1
ASSI { 397}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 48 and name HZ2 ))
3.000 1.200 1.200 peak 397 spectrum 1 weight .10000E+01 volume .18687E-02 ppm1 10.172 ppm2 7.574 CV 1
ASSI { 574}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HG2 ))
3.100 1.200 1.200 peak 574 spectrum 1 weight .10000E+01 volume .16720E-02 ppm1 7.619 ppm2 .832 CV 1
ASSI { 380}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 50 and name H ))
2.700 .900 .900 peak 380 spectrum 1 weight .10000E+01 volume .22966E-02 ppm1 7.671 ppm2 7.408 CV 1
ASSI { 490}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 21 and name HB ))
2.900 1.000 1.000 peak 490 spectrum 1 weight .10000E+01 volume .18564E-02 ppm1 8.141 ppm2 4.517 CV 1
ASSI { 56}
(( segid "A " and resid 20 and name HE22))
(( segid "A " and resid 20 and name HG2 ))
3.000 1.200 1.200 peak 56 spectrum 1 weight .10000E+01 volume .48414E-02 ppm1 7.598 ppm2 2.267 CV 1
OR { 56}
(( segid "A " and resid 20 and name HE22))
(( segid "A " and resid 20 and name HG3 ))
ASSI { 412}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HB2 ))
3.100 1.200 1.200 peak 412 spectrum 1 weight .10000E+01 volume .81144E-03 ppm1 7.843 ppm2 1.511 CV 1
ASSI { 178}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 18 and name H ))
3.000 1.100 1.100 peak 178 spectrum 1 weight .10000E+01 volume .10966E-02 ppm1 8.221 ppm2 8.073 CV 1
ASSI { 419}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 10 and name H ))
3.300 1.400 1.400 peak 419 spectrum 1 weight .10000E+01 volume .13597E-02 ppm1 7.618 ppm2 8.622 CV 1
ASSI { 597}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HG3 ))
3.000 1.100 1.100 peak 597 spectrum 1 weight .10000E+01 volume .17089E-02 ppm1 9.004 ppm2 2.513 CV 1
OR { 597}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HG2 ))
ASSI { 508}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name HA ))
2.300 .600 .600 peak 508 spectrum 1 weight .10000E+01 volume .90634E-02 ppm1 7.897 ppm2 4.266 CV 1
ASSI { 309}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HD2 ))
3.000 1.100 1.100 peak 309 spectrum 1 weight .10000E+01 volume .10868E-02 ppm1 8.511 ppm2 3.275 CV 1
ASSI { 553}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 39 and name HB2 ))
2.600 .800 .800 peak 553 spectrum 1 weight .10000E+01 volume .47380E-02 ppm1 7.791 ppm2 2.024 CV 1
OR { 553}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 39 and name HB3 ))
ASSI { 127}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 36 and name HB3 ))
3.100 1.200 1.200 peak 127 spectrum 1 weight .10000E+01 volume .12417E-02 ppm1 7.791 ppm2 2.930 CV 1
ASSI { 276}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HG2 ))
2.800 1.000 1.000 peak 276 spectrum 1 weight .10000E+01 volume .26924E-02 ppm1 7.497 ppm2 1.688 CV 1
OR { 276}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HD3 ))
ASSI { 402}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HB2 ))
3.400 1.400 1.400 peak 402 spectrum 1 weight .10000E+01 volume .32604E-02 ppm1 8.322 ppm2 3.795 CV 1
OR { 402}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HB3 ))
ASSI { 218}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HG3 ))
3.600 1.600 1.600 peak 218 spectrum 1 weight .10000E+01 volume .66635E-03 ppm1 7.985 ppm2 2.199 CV 1
ASSI { 587}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HB2 ))
2.700 .900 .900 peak 587 spectrum 1 weight .10000E+01 volume .25597E-02 ppm1 7.648 ppm2 2.196 CV 1
OR { 587}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 545}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 17 and name HA ))
2.900 1.100 1.100 peak 545 spectrum 1 weight .10000E+01 volume .17507E-02 ppm1 8.214 ppm2 4.126 CV 1
ASSI { 53}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 30 and name HA ))
3.400 1.400 1.400 peak 53 spectrum 1 weight .10000E+01 volume .10057E-02 ppm1 8.513 ppm2 4.983 CV 1
ASSI { 257}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 16 and name HA ))
3.100 1.200 1.200 peak 257 spectrum 1 weight .10000E+01 volume .14359E-02 ppm1 7.874 ppm2 3.592 CV 1
ASSI { 521}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 55 and name H ))
3.100 1.200 1.200 peak 521 spectrum 1 weight .10000E+01 volume .91469E-03 ppm1 8.250 ppm2 7.645 CV 1
ASSI { 511}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HA ))
2.900 1.100 1.100 peak 511 spectrum 1 weight .10000E+01 volume .20408E-02 ppm1 8.919 ppm2 4.120 CV 1
ASSI { 367}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 68 and name HA ))
3.500 1.500 1.500 peak 367 spectrum 1 weight .10000E+01 volume .97372E-03 ppm1 7.956 ppm2 4.277 CV 1
ASSI { 287}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HG3 ))
4.300 2.300 1.700 peak 287 spectrum 1 weight .10000E+01 volume .68358E-03 ppm1 8.025 ppm2 1.094 CV 1
ASSI { 482}
(( segid "A " and resid 20 and name HE21))
(( segid "A " and resid 20 and name HG2 ))
2.500 .800 .800 peak 482 spectrum 1 weight .10000E+01 volume .37006E-02 ppm1 6.665 ppm2 2.271 CV 1
OR { 482}
(( segid "A " and resid 20 and name HE21))
(( segid "A " and resid 20 and name HG3 ))
ASSI { 515}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HB3 ))
2.900 1.000 1.000 peak 515 spectrum 1 weight .10000E+01 volume .16892E-02 ppm1 8.126 ppm2 2.073 CV 1
OR { 515}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HB2 ))
ASSI { 433}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 52 and name HB2 ))
3.600 1.600 1.600 peak 433 spectrum 1 weight .10000E+01 volume .67863E-03 ppm1 7.651 ppm2 4.332 CV 1
OR { 433}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 52 and name HA ))
ASSI { 166}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HG3 ))
3.700 1.700 1.700 peak 166 spectrum 1 weight .10000E+01 volume .15909E-02 ppm1 7.494 ppm2 1.521 CV 1
ASSI { 115}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HB2 ))
2.500 .800 .800 peak 115 spectrum 1 weight .10000E+01 volume .29826E-02 ppm1 7.957 ppm2 2.046 CV 1
ASSI { 255}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 31 and name HD2 ))
3.700 1.800 1.800 peak 255 spectrum 1 weight .10000E+01 volume .13991E-02 ppm1 8.022 ppm2 3.280 CV 1
ASSI { 540}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 48 and name H ))
2.800 1.000 1.000 peak 540 spectrum 1 weight .10000E+01 volume .18319E-02 ppm1 7.673 ppm2 8.713 CV 1
ASSI { 566}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 16 and name H ))
2.900 1.000 1.000 peak 566 spectrum 1 weight .10000E+01 volume .14359E-02 ppm1 8.216 ppm2 7.872 CV 1
ASSI { 122}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 51 and name HG2 ))
4.200 2.200 1.800 peak 122 spectrum 1 weight .10000E+01 volume .88270E-03 ppm1 7.411 ppm2 2.511 CV 1
OR { 122}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 51 and name HG3 ))
ASSI { 516}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 45 and name H ))
3.800 1.800 1.800 peak 516 spectrum 1 weight .10000E+01 volume .52620E-03 ppm1 7.776 ppm2 8.391 CV 1
ASSI { 352}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HB2 ))
2.800 1.000 1.000 peak 352 spectrum 1 weight .10000E+01 volume .17851E-02 ppm1 8.067 ppm2 3.050 CV 1
ASSI { 503}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HG3 ))
3.200 1.300 1.300 peak 503 spectrum 1 weight .10000E+01 volume .81387E-03 ppm1 8.069 ppm2 1.502 CV 1
ASSI { 21}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 10 and name HA3 ))
2.700 .900 .900 peak 21 spectrum 1 weight .10000E+01 volume .31154E-02 ppm1 7.619 ppm2 3.638 CV 1
ASSI { 416}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 42 and name HB3 ))
4.100 2.100 1.900 peak 416 spectrum 1 weight .10000E+01 volume .94173E-03 ppm1 8.551 ppm2 1.904 CV 1
ASSI { 344}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HG2 ))
3.600 1.600 1.600 peak 344 spectrum 1 weight .10000E+01 volume .15540E-02 ppm1 7.491 ppm2 1.403 CV 1
ASSI { 546}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HD2 ))
4.000 2.100 2.000 peak 546 spectrum 1 weight .10000E+01 volume .11508E-02 ppm1 8.104 ppm2 .830 CV 1
OR { 546}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HD3 ))
ASSI { 282}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HB3 ))
2.800 1.000 1.000 peak 282 spectrum 1 weight .10000E+01 volume .19868E-02 ppm1 8.577 ppm2 3.129 CV 1
OR { 282}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HB2 ))
ASSI { 443}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HA ))
2.800 1.000 1.000 peak 443 spectrum 1 weight .10000E+01 volume .21023E-02 ppm1 8.859 ppm2 4.337 CV 1
OR { 443}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HB2 ))
ASSI { 467}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 36 and name HB3 ))
2.900 1.000 1.000 peak 467 spectrum 1 weight .10000E+01 volume .15515E-02 ppm1 7.052 ppm2 2.918 CV 1
ASSI { 365}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HG2 ))
3.200 1.300 1.300 peak 365 spectrum 1 weight .10000E+01 volume .15343E-02 ppm1 7.910 ppm2 1.727 CV 1
OR { 365}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HD3 ))
ASSI { 550}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HB2 ))
2.300 .600 .600 peak 550 spectrum 1 weight .10000E+01 volume .60118E-02 ppm1 7.899 ppm2 1.571 CV 1
ASSI { 310}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name HA ))
3.500 1.500 1.500 peak 310 spectrum 1 weight .10000E+01 volume .91222E-03 ppm1 7.979 ppm2 4.200 CV 1
ASSI { 199}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 25 and name HB3 ))
3.900 1.900 1.900 peak 199 spectrum 1 weight .10000E+01 volume .68848E-03 ppm1 7.976 ppm2 2.143 CV 1
ASSI { 201}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HA ))
3.500 1.500 1.500 peak 201 spectrum 1 weight .10000E+01 volume .77207E-03 ppm1 8.156 ppm2 3.736 CV 1
ASSI { 268}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 31 and name HD3 ))
3.200 1.200 1.200 peak 268 spectrum 1 weight .10000E+01 volume .13081E-02 ppm1 8.025 ppm2 3.537 CV 1
ASSI { 101}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HG2 ))
3.300 1.400 1.400 peak 101 spectrum 1 weight .10000E+01 volume .36292E-02 ppm1 7.124 ppm2 2.515 CV 1
OR { 101}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HG3 ))
ASSI { 4}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HE2 ))
4.600 2.600 1.400 peak 4 spectrum 1 weight .10000E+01 volume .53358E-03 ppm1 7.431 ppm2 2.895 CV 1
OR { 4}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HE3 ))
ASSI { 116}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HD2 ))
3.500 1.600 1.600 peak 116 spectrum 1 weight .10000E+01 volume .12196E-02 ppm1 8.250 ppm2 1.748 CV 1
OR { 116}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HD3 ))
ASSI { 414}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name H ))
2.500 .800 .800 peak 414 spectrum 1 weight .10000E+01 volume .37079E-02 ppm1 7.492 ppm2 7.990 CV 1
ASSI { 70}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HA ))
3.500 1.600 1.600 peak 70 spectrum 1 weight .10000E+01 volume .10032E-02 ppm1 8.004 ppm2 3.755 CV 1
ASSI { 602}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HB3 ))
2.500 .800 .800 peak 602 spectrum 1 weight .10000E+01 volume .46545E-02 ppm1 7.475 ppm2 2.927 CV 1
ASSI { 41}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 36 and name HB3 ))
4.000 2.000 2.000 peak 41 spectrum 1 weight .10000E+01 volume .95158E-03 ppm1 8.651 ppm2 2.913 CV 1
ASSI { 300}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HA3 ))
2.300 .700 .700 peak 300 spectrum 1 weight .10000E+01 volume .51069E-02 ppm1 7.844 ppm2 4.026 CV 1
ASSI { 94}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HG2 ))
2.900 1.100 1.100 peak 94 spectrum 1 weight .10000E+01 volume .21957E-02 ppm1 8.004 ppm2 1.745 CV 1
ASSI { 432}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 8 and name HB2 ))
3.300 1.300 1.300 peak 432 spectrum 1 weight .10000E+01 volume .10253E-02 ppm1 8.920 ppm2 2.381 CV 1
ASSI { 315}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HG2 ))
3.600 1.600 1.600 peak 315 spectrum 1 weight .10000E+01 volume .11532E-02 ppm1 8.106 ppm2 .985 CV 1
ASSI { 431}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HB3 ))
2.200 .600 .600 peak 431 spectrum 1 weight .10000E+01 volume .87311E-02 ppm1 7.496 ppm2 1.980 CV 1
OR { 431}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 556}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 15 and name HA ))
3.500 1.500 1.500 peak 556 spectrum 1 weight .10000E+01 volume .68358E-03 ppm1 8.069 ppm2 2.849 CV 1
ASSI { 534}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 36 and name HD22))
1.600 .300 .600 peak 534 spectrum 1 weight .10000E+01 volume .22582E-01 ppm1 7.050 ppm2 7.720 CV 1
ASSI { 97}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name HA ))
3.600 1.600 1.600 peak 97 spectrum 1 weight .10000E+01 volume .67372E-03 ppm1 8.148 ppm2 3.863 CV 1
ASSI { 60}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HA ))
3.200 1.300 1.300 peak 60 spectrum 1 weight .10000E+01 volume .14212E-02 ppm1 7.411 ppm2 4.020 CV 1
ASSI { 158}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 39 and name HG2 ))
3.900 1.900 1.900 peak 158 spectrum 1 weight .10000E+01 volume .62208E-03 ppm1 7.048 ppm2 2.311 CV 1
ASSI { 241}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 83 and name HB3 ))
2.700 .900 .900 peak 241 spectrum 1 weight .10000E+01 volume .37546E-02 ppm1 7.883 ppm2 1.860 CV 1
OR { 241}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 35}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HB3 ))
2.300 .700 .700 peak 35 spectrum 1 weight .10000E+01 volume .72144E-02 ppm1 7.464 ppm2 1.901 CV 1
ASSI { 389}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HA ))
2.800 1.000 1.000 peak 389 spectrum 1 weight .10000E+01 volume .20408E-02 ppm1 8.449 ppm2 4.434 CV 1
ASSI { 537}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HG2 ))
3.800 1.800 1.800 peak 537 spectrum 1 weight .10000E+01 volume .19744E-02 ppm1 8.485 ppm2 2.151 CV 1
ASSI { 298}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 47 and name HB2 ))
3.500 1.500 1.500 peak 298 spectrum 1 weight .10000E+01 volume .96139E-03 ppm1 8.718 ppm2 2.133 CV 1
ASSI { 561}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 24 and name HB2 ))
2.700 .900 .900 peak 561 spectrum 1 weight .10000E+01 volume .31744E-02 ppm1 8.156 ppm2 2.139 CV 1
ASSI { 190}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 27 and name HB3 ))
4.100 2.100 1.900 peak 190 spectrum 1 weight .10000E+01 volume .98847E-03 ppm1 8.237 ppm2 1.886 CV 1
OR { 190}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 27 and name HB2 ))
ASSI { 250}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HG3 ))
3.800 1.800 1.800 peak 250 spectrum 1 weight .10000E+01 volume .18294E-02 ppm1 7.462 ppm2 1.523 CV 1
OR { 250}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HD3 ))
OR { 250}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HD2 ))
ASSI { 372}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name H ))
4.100 2.100 1.900 peak 372 spectrum 1 weight .10000E+01 volume .12221E-02 ppm1 7.783 ppm2 7.480 CV 1
ASSI { 262}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 32 and name HB2 ))
2.700 .900 .900 peak 262 spectrum 1 weight .10000E+01 volume .40202E-02 ppm1 8.515 ppm2 2.658 CV 1
ASSI { 599}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name HA ))
3.200 1.300 1.300 peak 599 spectrum 1 weight .10000E+01 volume .15835E-02 ppm1 8.644 ppm2 3.990 CV 1
ASSI { 16}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HG2 ))
2.700 .900 .900 peak 16 spectrum 1 weight .10000E+01 volume .17630E-02 ppm1 7.773 ppm2 1.403 CV 1
ASSI { 305}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 22 and name HB2 ))
3.600 1.700 1.700 peak 305 spectrum 1 weight .10000E+01 volume .96877E-03 ppm1 8.882 ppm2 2.466 CV 1
ASSI { 91}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HA ))
2.700 .900 .900 peak 91 spectrum 1 weight .10000E+01 volume .25990E-02 ppm1 7.897 ppm2 3.827 CV 1
ASSI { 296}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name H ))
2.800 1.000 1.000 peak 296 spectrum 1 weight .10000E+01 volume .21121E-02 ppm1 8.576 ppm2 7.793 CV 1
ASSI { 69}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name H ))
3.400 1.400 1.400 peak 69 spectrum 1 weight .10000E+01 volume .73518E-03 ppm1 8.625 ppm2 8.914 CV 1
ASSI { 592}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HB3 ))
3.300 1.400 1.400 peak 592 spectrum 1 weight .10000E+01 volume .13573E-02 ppm1 8.066 ppm2 2.581 CV 1
ASSI { 341}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 15 and name HB2 ))
3.200 1.300 1.300 peak 341 spectrum 1 weight .10000E+01 volume .94173E-03 ppm1 10.170 ppm2 2.323 CV 1
ASSI { 77}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HB3 ))
3.300 1.400 1.400 peak 77 spectrum 1 weight .10000E+01 volume .22941E-02 ppm1 8.022 ppm2 1.506 CV 1
ASSI { 347}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 22 and name HB3 ))
3.200 1.300 1.300 peak 347 spectrum 1 weight .10000E+01 volume .85566E-03 ppm1 8.885 ppm2 2.926 CV 1
ASSI { 376}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HD3 ))
3.800 1.800 1.800 peak 376 spectrum 1 weight .10000E+01 volume .13819E-02 ppm1 8.515 ppm2 3.535 CV 1
ASSI { 598}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HB2 ))
3.200 1.300 1.300 peak 598 spectrum 1 weight .10000E+01 volume .17458E-02 ppm1 8.343 ppm2 2.345 CV 1
ASSI { 232}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name H ))
2.700 .900 .900 peak 232 spectrum 1 weight .10000E+01 volume .25842E-02 ppm1 7.908 ppm2 8.578 CV 1
ASSI { 441}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 70 and name HB3 ))
2.800 1.000 1.000 peak 441 spectrum 1 weight .10000E+01 volume .14040E-02 ppm1 8.426 ppm2 3.116 CV 1
ASSI { 578}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HG2 ))
3.500 1.500 1.500 peak 578 spectrum 1 weight .10000E+01 volume .11803E-02 ppm1 8.918 ppm2 1.908 CV 1
ASSI { 140}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HB3 ))
3.200 1.300 1.300 peak 140 spectrum 1 weight .10000E+01 volume .27195E-02 ppm1 7.620 ppm2 1.477 CV 1
OR { 140}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HD3 ))
ASSI { 297}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HB3 ))
2.400 .700 .700 peak 297 spectrum 1 weight .10000E+01 volume .30293E-02 ppm1 7.871 ppm2 1.628 CV 1
ASSI { 173}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name H ))
2.700 .900 .900 peak 173 spectrum 1 weight .10000E+01 volume .21834E-02 ppm1 8.103 ppm2 7.650 CV 1
ASSI { 422}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HB2 ))
2.600 .800 .800 peak 422 spectrum 1 weight .10000E+01 volume .33293E-02 ppm1 7.124 ppm2 1.799 CV 1
OR { 422}
(( segid "A " and resid 51 and name H ))
( segid "A " and resid 51 and name HE% )
ASSI { 420}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HA ))
2.200 .600 .600 peak 420 spectrum 1 weight .10000E+01 volume .81806E-02 ppm1 8.322 ppm2 4.498 CV 1
ASSI { 596}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name HB2 ))
3.400 1.500 1.500 peak 596 spectrum 1 weight .10000E+01 volume .49421E-03 ppm1 8.405 ppm2 3.375 CV 1
ASSI { 191}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 79 and name HD3 ))
4.000 2.000 2.000 peak 191 spectrum 1 weight .10000E+01 volume .75241E-03 ppm1 7.782 ppm2 3.507 CV 1
ASSI { 415}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HA ))
2.900 1.000 1.000 peak 415 spectrum 1 weight .10000E+01 volume .26432E-02 ppm1 7.464 ppm2 3.714 CV 1
OR { 415}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HB2 ))
OR { 415}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HB3 ))
ASSI { 46}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HA ))
3.200 1.200 1.200 peak 46 spectrum 1 weight .10000E+01 volume .14999E-02 ppm1 7.314 ppm2 4.171 CV 1
ASSI { 44}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 56 and name HE3 ))
3.000 1.100 1.100 peak 44 spectrum 1 weight .10000E+01 volume .13892E-02 ppm1 7.125 ppm2 1.927 CV 1
ASSI { 120}
(( segid "A " and resid 23 and name H ))
( segid "A " and resid 19 and name HG1%)
3.800 1.800 1.800 peak 120 spectrum 1 weight .10000E+01 volume .57781E-03 ppm1 8.882 ppm2 .798 CV 1
ASSI { 235}
(( segid "A " and resid 48 and name HE1 ))
( segid "A " and resid 15 and name HE% )
4.100 2.100 1.900 peak 235 spectrum 1 weight .10000E+01 volume .39833E-03 ppm1 10.171 ppm2 6.376 CV 1
ASSI { 294}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HA ))
2.800 1.000 1.000 peak 294 spectrum 1 weight .10000E+01 volume .25080E-02 ppm1 8.597 ppm2 3.984 CV 1
ASSI { 582}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 18 and name HA ))
3.800 1.800 1.800 peak 582 spectrum 1 weight .10000E+01 volume .66882E-03 ppm1 8.140 ppm2 3.714 CV 1
ASSI { 570}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HA ))
2.900 1.100 1.100 peak 570 spectrum 1 weight .10000E+01 volume .17925E-02 ppm1 8.387 ppm2 4.244 CV 1
ASSI { 274}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HA ))
2.800 1.000 1.000 peak 274 spectrum 1 weight .10000E+01 volume .25277E-02 ppm1 8.224 ppm2 4.209 CV 1
ASSI { 172}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HB3 ))
3.200 1.300 1.300 peak 172 spectrum 1 weight .10000E+01 volume .16327E-02 ppm1 8.353 ppm2 2.950 CV 1
ASSI { 374}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 15 and name HA ))
3.100 1.200 1.200 peak 374 spectrum 1 weight .10000E+01 volume .15270E-02 ppm1 7.911 ppm2 2.863 CV 1
ASSI { 164}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HD2 ))
3.700 1.700 1.700 peak 164 spectrum 1 weight .10000E+01 volume .13671E-02 ppm1 7.499 ppm2 1.657 CV 1
OR { 164}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HD3 ))
ASSI { 259}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 14 and name HA ))
3.000 1.200 1.200 peak 259 spectrum 1 weight .10000E+01 volume .15220E-02 ppm1 9.295 ppm2 4.363 CV 1
ASSI { 157}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 48 and name HD1 ))
2.700 .900 .900 peak 157 spectrum 1 weight .10000E+01 volume .36170E-02 ppm1 10.171 ppm2 6.949 CV 1
ASSI { 273}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HA ))
2.900 1.000 1.000 peak 273 spectrum 1 weight .10000E+01 volume .24736E-02 ppm1 8.478 ppm2 3.997 CV 1
ASSI { 594}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HB3 ))
2.700 .900 .900 peak 594 spectrum 1 weight .10000E+01 volume .34497E-02 ppm1 7.123 ppm2 1.630 CV 1
ASSI { 272}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HB2 ))
2.500 .800 .800 peak 272 spectrum 1 weight .10000E+01 volume .40522E-02 ppm1 7.475 ppm2 3.064 CV 1
ASSI { 242}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name H ))
2.700 .900 .900 peak 242 spectrum 1 weight .10000E+01 volume .23064E-02 ppm1 7.990 ppm2 7.370 CV 1
ASSI { 264}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HB3 ))
3.800 1.800 1.800 peak 264 spectrum 1 weight .10000E+01 volume .89993E-03 ppm1 7.845 ppm2 1.774 CV 1
ASSI { 462}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HB3 ))
2.900 1.000 1.000 peak 462 spectrum 1 weight .10000E+01 volume .24023E-02 ppm1 7.408 ppm2 1.962 CV 1
OR { 462}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 92}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HG2 ))
3.200 1.300 1.300 peak 92 spectrum 1 weight .10000E+01 volume .20851E-02 ppm1 7.940 ppm2 1.897 CV 1
OR { 92}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HG3 ))
ASSI { 471}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 19 and name H ))
3.100 1.200 1.200 peak 471 spectrum 1 weight .10000E+01 volume .91469E-03 ppm1 8.122 ppm2 8.532 CV 1
ASSI { 38}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 13 and name HA ))
3.200 1.300 1.300 peak 38 spectrum 1 weight .10000E+01 volume .11950E-02 ppm1 8.152 ppm2 4.583 CV 1
ASSI { 37}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HB2 ))
2.800 1.000 1.000 peak 37 spectrum 1 weight .10000E+01 volume .29063E-02 ppm1 8.223 ppm2 3.154 CV 1
ASSI { 212}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 24 and name HB3 ))
2.500 .800 .800 peak 212 spectrum 1 weight .10000E+01 volume .35432E-02 ppm1 8.156 ppm2 2.262 CV 1
ASSI { 78}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 11 and name HA ))
2.800 1.000 1.000 peak 78 spectrum 1 weight .10000E+01 volume .32703E-02 ppm1 8.970 ppm2 4.057 CV 1
ASSI { 194}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HA ))
2.100 .600 .600 peak 194 spectrum 1 weight .10000E+01 volume .97787E-02 ppm1 7.785 ppm2 4.514 CV 1
ASSI { 442}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HB2 ))
2.600 .800 .800 peak 442 spectrum 1 weight .10000E+01 volume .26506E-02 ppm1 8.433 ppm2 2.032 CV 1
ASSI { 539}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HA2 ))
3.000 1.100 1.100 peak 539 spectrum 1 weight .10000E+01 volume .32383E-02 ppm1 7.848 ppm2 3.858 CV 1
ASSI { 66}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HG2 ))
3.500 1.500 1.500 peak 66 spectrum 1 weight .10000E+01 volume .95896E-03 ppm1 8.969 ppm2 2.119 CV 1
ASSI { 138}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HA ))
2.500 .800 .800 peak 138 spectrum 1 weight .10000E+01 volume .45662E-02 ppm1 7.497 ppm2 4.170 CV 1
ASSI { 181}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 39 and name HB2 ))
4.300 2.400 1.700 peak 181 spectrum 1 weight .10000E+01 volume .49669E-03 ppm1 7.057 ppm2 2.033 CV 1
OR { 181}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 39 and name HB3 ))
ASSI { 447}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 18 and name HA ))
3.800 1.800 1.800 peak 447 spectrum 1 weight .10000E+01 volume .48931E-03 ppm1 8.528 ppm2 3.741 CV 1
ASSI { 90}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HA ))
2.500 .800 .800 peak 90 spectrum 1 weight .10000E+01 volume .48096E-02 ppm1 8.398 ppm2 4.240 CV 1
ASSI { 588}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 40 and name HB3 ))
2.800 1.000 1.000 peak 588 spectrum 1 weight .10000E+01 volume .13843E-02 ppm1 8.550 ppm2 2.973 CV 1
ASSI { 29}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name HB3 ))
3.600 1.600 1.600 peak 29 spectrum 1 weight .10000E+01 volume .59751E-03 ppm1 8.646 ppm2 3.041 CV 1
OR { 29}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name HB2 ))
ASSI { 72}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HA ))
2.600 .800 .800 peak 72 spectrum 1 weight .10000E+01 volume .40005E-02 ppm1 8.003 ppm2 4.097 CV 1
ASSI { 214}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 18 and name HB2 ))
3.500 1.500 1.500 peak 214 spectrum 1 weight .10000E+01 volume .12171E-02 ppm1 8.067 ppm2 2.094 CV 1
ASSI { 293}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name HB3 ))
3.800 1.900 1.900 peak 293 spectrum 1 weight .10000E+01 volume .17114E-02 ppm1 8.480 ppm2 1.866 CV 1
OR { 293}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 209}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 76 and name H ))
2.400 .700 .700 peak 209 spectrum 1 weight .10000E+01 volume .45366E-02 ppm1 7.475 ppm2 7.312 CV 1
ASSI { 136}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 66 and name HB3 ))
4.400 2.500 1.600 peak 136 spectrum 1 weight .10000E+01 volume .75732E-03 ppm1 7.914 ppm2 3.098 CV 1
OR { 136}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 66 and name HB2 ))
ASSI { 532}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 14 and name HA ))
4.000 2.000 2.000 peak 532 spectrum 1 weight .10000E+01 volume .54586E-03 ppm1 8.214 ppm2 4.345 CV 1
ASSI { 93}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name HB2 ))
3.400 1.500 1.500 peak 93 spectrum 1 weight .10000E+01 volume .23949E-02 ppm1 7.452 ppm2 2.119 CV 1
ASSI { 525}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HG2 ))
3.000 1.100 1.100 peak 525 spectrum 1 weight .10000E+01 volume .31473E-02 ppm1 7.673 ppm2 1.708 CV 1
OR { 525}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HD2 ))
OR { 525}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 444}
(( segid "A " and resid 34 and name H ))
( segid "A " and resid 33 and name HB% )
3.000 1.100 1.100 peak 444 spectrum 1 weight .10000E+01 volume .26654E-02 ppm1 8.569 ppm2 1.403 CV 1
ASSI { 222}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 12 and name H ))
3.400 1.400 1.400 peak 222 spectrum 1 weight .10000E+01 volume .64668E-03 ppm1 7.626 ppm2 8.975 CV 1
ASSI { 323}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 8 and name HA ))
2.400 .700 .700 peak 323 spectrum 1 weight .10000E+01 volume .52373E-02 ppm1 8.918 ppm2 4.202 CV 1
ASSI { 349}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 35 and name HA ))
2.800 1.000 1.000 peak 349 spectrum 1 weight .10000E+01 volume .20064E-02 ppm1 8.654 ppm2 3.969 CV 1
ASSI { 473}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 48 and name HB3 ))
4.300 2.300 1.700 peak 473 spectrum 1 weight .10000E+01 volume .70567E-03 ppm1 10.170 ppm2 3.329 CV 1
ASSI { 170}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HB2 ))
3.600 1.600 1.600 peak 170 spectrum 1 weight .10000E+01 volume .15466E-02 ppm1 8.604 ppm2 2.343 CV 1
ASSI { 504}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HA ))
3.500 1.500 1.500 peak 504 spectrum 1 weight .10000E+01 volume .89008E-03 ppm1 7.992 ppm2 3.770 CV 1
ASSI { 505}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 10 and name HA2 ))
2.700 .900 .900 peak 505 spectrum 1 weight .10000E+01 volume .34399E-02 ppm1 7.622 ppm2 3.879 CV 1
ASSI { 196}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HA ))
3.300 1.400 1.400 peak 196 spectrum 1 weight .10000E+01 volume .13327E-02 ppm1 7.909 ppm2 4.122 CV 1
ASSI { 314}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 40 and name HZ ))
3.500 1.500 1.500 peak 314 spectrum 1 weight .10000E+01 volume .69338E-03 ppm1 8.884 ppm2 6.828 CV 1
ASSI { 519}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HG2 ))
4.000 2.000 2.000 peak 519 spectrum 1 weight .10000E+01 volume .15663E-02 ppm1 7.872 ppm2 .821 CV 1
OR { 519}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 528}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name HB3 ))
2.900 1.100 1.100 peak 528 spectrum 1 weight .10000E+01 volume .12663E-02 ppm1 7.980 ppm2 3.272 CV 1
ASSI { 43}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 77 and name HB3 ))
4.400 2.400 1.600 peak 43 spectrum 1 weight .10000E+01 volume .75489E-03 ppm1 7.315 ppm2 2.925 CV 1
ASSI { 547}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 19 and name H ))
3.100 1.200 1.200 peak 547 spectrum 1 weight .10000E+01 volume .94173E-03 ppm1 8.075 ppm2 8.532 CV 1
ASSI { 251}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HG3 ))
2.700 .900 .900 peak 251 spectrum 1 weight .10000E+01 volume .18539E-02 ppm1 8.427 ppm2 2.396 CV 1
ASSI { 208}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 55 and name H ))
3.800 1.800 1.800 peak 208 spectrum 1 weight .10000E+01 volume .65159E-03 ppm1 8.994 ppm2 7.665 CV 1
ASSI { 119}
(( segid "A " and resid 16 and name H ))
( segid "A " and resid 16 and name HB% )
2.600 .800 .800 peak 119 spectrum 1 weight .10000E+01 volume .36735E-02 ppm1 7.871 ppm2 1.306 CV 1
ASSI { 258}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 19 and name HA ))
3.300 1.400 1.400 peak 258 spectrum 1 weight .10000E+01 volume .80158E-03 ppm1 8.525 ppm2 2.988 CV 1
ASSI { 485}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 68 and name H ))
4.000 2.000 2.000 peak 485 spectrum 1 weight .10000E+01 volume .44013E-03 ppm1 8.576 ppm2 7.441 CV 1
ASSI { 106}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 59 and name H ))
3.000 1.100 1.100 peak 106 spectrum 1 weight .10000E+01 volume .15761E-02 ppm1 7.872 ppm2 7.269 CV 1
ASSI { 149}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HB2 ))
2.900 1.000 1.000 peak 149 spectrum 1 weight .10000E+01 volume .85814E-03 ppm1 8.104 ppm2 2.101 CV 1
ASSI { 343}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 11 and name HA ))
2.900 1.000 1.000 peak 343 spectrum 1 weight .10000E+01 volume .23728E-02 ppm1 7.624 ppm2 4.060 CV 1
ASSI { 88}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HB3 ))
2.800 1.000 1.000 peak 88 spectrum 1 weight .10000E+01 volume .29530E-02 ppm1 7.315 ppm2 1.977 CV 1
OR { 88}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 108}
(( segid "A " and resid 4 and name H ))
(( segid "A " and resid 4 and name HB2 ))
2.600 .800 .800 peak 108 spectrum 1 weight .10000E+01 volume .38997E-02 ppm1 8.142 ppm2 2.609 CV 1
ASSI { 424}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HB2 ))
2.400 .700 .700 peak 424 spectrum 1 weight .10000E+01 volume .54193E-02 ppm1 8.387 ppm2 4.018 CV 1
OR { 424}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HB3 ))
ASSI { 322}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 64 and name HB3 ))
4.500 2.600 1.500 peak 322 spectrum 1 weight .10000E+01 volume .56800E-03 ppm1 7.992 ppm2 2.040 CV 1
OR { 322}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 54}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HB3 ))
2.900 1.100 1.100 peak 54 spectrum 1 weight .10000E+01 volume .14114E-02 ppm1 8.880 ppm2 1.734 CV 1
ASSI { 205}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 8 and name HD2 ))
4.300 2.300 1.700 peak 205 spectrum 1 weight .10000E+01 volume .87042E-03 ppm1 7.898 ppm2 3.302 CV 1
ASSI { 85}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HA ))
2.900 1.000 1.000 peak 85 spectrum 1 weight .10000E+01 volume .15196E-02 ppm1 7.273 ppm2 4.443 CV 1
ASSI { 385}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HA ))
3.100 1.200 1.200 peak 385 spectrum 1 weight .10000E+01 volume .13991E-02 ppm1 8.716 ppm2 4.332 CV 1
ASSI { 437}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 53 and name HA ))
3.400 1.400 1.400 peak 437 spectrum 1 weight .10000E+01 volume .77207E-03 ppm1 8.873 ppm2 3.882 CV 1
ASSI { 233}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 39 and name HA ))
2.500 .800 .800 peak 233 spectrum 1 weight .10000E+01 volume .52545E-02 ppm1 7.792 ppm2 4.015 CV 1
ASSI { 216}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 15 and name HB2 ))
2.700 .900 .900 peak 216 spectrum 1 weight .10000E+01 volume .22400E-02 ppm1 7.879 ppm2 2.342 CV 1
OR { 216}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 15 and name HB3 ))
ASSI { 466}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name HB2 ))
3.200 1.300 1.300 peak 466 spectrum 1 weight .10000E+01 volume .26580E-02 ppm1 7.896 ppm2 1.843 CV 1
OR { 466}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name HB3 ))
ASSI { 548}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HG2 ))
3.800 1.800 1.800 peak 548 spectrum 1 weight .10000E+01 volume .12639E-02 ppm1 7.897 ppm2 1.332 CV 1
ASSI { 409}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 82 and name HA2 ))
2.500 .800 .800 peak 409 spectrum 1 weight .10000E+01 volume .62084E-02 ppm1 8.455 ppm2 3.941 CV 1
OR { 409}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 82 and name HA3 ))
ASSI { 125}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name HD3 ))
3.800 1.800 1.800 peak 125 spectrum 1 weight .10000E+01 volume .10008E-02 ppm1 7.456 ppm2 1.744 CV 1
OR { 125}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name HD2 ))
ASSI { 452}
(( segid "A " and resid 20 and name HE22))
(( segid "A " and resid 17 and name HA ))
3.900 1.900 1.900 peak 452 spectrum 1 weight .10000E+01 volume .65406E-03 ppm1 7.603 ppm2 4.123 CV 1
ASSI { 567}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HG3 ))
3.800 1.800 1.800 peak 567 spectrum 1 weight .10000E+01 volume .19474E-02 ppm1 8.481 ppm2 2.639 CV 1
ASSI { 321}
(( segid "A " and resid 4 and name H ))
(( segid "A " and resid 4 and name HB3 ))
3.000 1.100 1.100 peak 321 spectrum 1 weight .10000E+01 volume .38088E-02 ppm1 8.142 ppm2 2.770 CV 1
ASSI { 411}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HB3 ))
2.900 1.100 1.100 peak 411 spectrum 1 weight .10000E+01 volume .55744E-02 ppm1 7.899 ppm2 1.663 CV 1
OR { 411}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HD2 ))
ASSI { 429}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HA ))
2.600 .800 .800 peak 429 spectrum 1 weight .10000E+01 volume .52028E-02 ppm1 8.622 ppm2 4.111 CV 1
ASSI { 301}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HB3 ))
2.300 .700 .700 peak 301 spectrum 1 weight .10000E+01 volume .61346E-02 ppm1 7.979 ppm2 1.871 CV 1
OR { 301}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HB2 ))
ASSI { 213}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 73 and name HA ))
3.400 1.500 1.500 peak 213 spectrum 1 weight .10000E+01 volume .71062E-03 ppm1 7.317 ppm2 4.010 CV 1
ASSI { 359}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HG2 ))
3.400 1.400 1.400 peak 359 spectrum 1 weight .10000E+01 volume .27023E-02 ppm1 8.123 ppm2 2.243 CV 1
OR { 359}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HG3 ))
ASSI { 425}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 60 and name HB2 ))
3.900 1.900 1.900 peak 425 spectrum 1 weight .10000E+01 volume .78192E-03 ppm1 7.850 ppm2 2.336 CV 1
ASSI { 579}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HA ))
3.200 1.300 1.300 peak 579 spectrum 1 weight .10000E+01 volume .94663E-03 ppm1 8.888 ppm2 3.739 CV 1
ASSI { 223}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HA ))
2.900 1.100 1.100 peak 223 spectrum 1 weight .10000E+01 volume .16941E-02 ppm1 8.324 ppm2 3.972 CV 1
ASSI { 320}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 19 and name HB ))
3.100 1.200 1.200 peak 320 spectrum 1 weight .10000E+01 volume .13622E-02 ppm1 8.124 ppm2 1.749 CV 1
ASSI { 192}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HB3 ))
2.500 .800 .800 peak 192 spectrum 1 weight .10000E+01 volume .27121E-02 ppm1 8.230 ppm2 3.260 CV 1
ASSI { 34}
(( segid "A " and resid 40 and name H ))
( segid "A " and resid 40 and name HD% )
4.700 2.800 1.300 peak 34 spectrum 1 weight .10000E+01 volume .47946E-03 ppm1 8.580 ppm2 6.904 CV 1
ASSI { 383}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HB2 ))
2.600 .800 .800 peak 383 spectrum 1 weight .10000E+01 volume .20236E-02 ppm1 8.108 ppm2 1.532 CV 1
ASSI { 434}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HG2 ))
3.600 1.600 1.600 peak 434 spectrum 1 weight .10000E+01 volume .63931E-03 ppm1 7.269 ppm2 .820 CV 1
OR { 434}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 247}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 31 and name HG2 ))
3.300 1.300 1.300 peak 247 spectrum 1 weight .10000E+01 volume .13941E-02 ppm1 8.022 ppm2 1.884 CV 1
OR { 247}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 460}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HB2 ))
2.500 .800 .800 peak 460 spectrum 1 weight .10000E+01 volume .45807E-02 ppm1 7.981 ppm2 2.132 CV 1
OR { 460}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 10}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HB2 ))
2.400 .700 .700 peak 10 spectrum 1 weight .10000E+01 volume .43448E-02 ppm1 7.432 ppm2 1.290 CV 1
OR { 10}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HG2 ))
ASSI { 237}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 30 and name HB2 ))
2.900 1.000 1.000 peak 237 spectrum 1 weight .10000E+01 volume .15122E-02 ppm1 8.024 ppm2 2.602 CV 1
ASSI { 603}
(( segid "A " and resid 20 and name HE21))
( segid "B " and resid 145 and name HD2%)
3.700 1.700 1.700 peak 603 spectrum 1 weight .10000E+01 volume .52125E-03 ppm1 6.670 ppm2 .827 CV 1
OR { 603}
(( segid "A " and resid 20 and name HE21))
( segid "B " and resid 145 and name HD1%)
ASSI { 331}
(( segid "A " and resid 20 and name HE22))
( segid "B " and resid 145 and name HD2%)
3.100 1.200 1.200 peak 331 spectrum 1 weight .10000E+01 volume .54339E-03 ppm1 7.598 ppm2 .813 CV 1
OR { 331}
(( segid "A " and resid 20 and name HE22))
( segid "B " and resid 145 and name HD1%)
ASSI { 217}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HB3 ))
3.800 1.800 1.800 peak 217 spectrum 1 weight .10000E+01 volume .11212E-02 ppm1 8.969 ppm2 1.367 CV 1
ASSI { 382}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 13 and name HA ))
2.600 .900 .900 peak 382 spectrum 1 weight .10000E+01 volume .31621E-02 ppm1 9.292 ppm2 4.588 CV 1
ASSI { 105}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 15 and name HB3 ))
2.500 .800 .800 peak 105 spectrum 1 weight .10000E+01 volume .39415E-02 ppm1 7.912 ppm2 2.347 CV 1
OR { 105}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 15 and name HB2 ))
ASSI { 601}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 81 and name HA ))
2.300 .600 .600 peak 601 spectrum 1 weight .10000E+01 volume .65234E-02 ppm1 8.455 ppm2 4.249 CV 1
ASSI { 353}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HB2 ))
3.000 1.100 1.100 peak 353 spectrum 1 weight .10000E+01 volume .17187E-02 ppm1 7.373 ppm2 1.674 CV 1
ASSI { 51}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HB2 ))
2.900 1.100 1.100 peak 51 spectrum 1 weight .10000E+01 volume .12860E-02 ppm1 8.110 ppm2 2.192 CV 1
OR { 51}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 373}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name H ))
2.700 .900 .900 peak 373 spectrum 1 weight .10000E+01 volume .20482E-02 ppm1 8.483 ppm2 8.006 CV 1
ASSI { 142}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HB3 ))
3.000 1.100 1.100 peak 142 spectrum 1 weight .10000E+01 volume .15122E-02 ppm1 8.247 ppm2 1.838 CV 1
OR { 142}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HB2 ))
ASSI { 407}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HB3 ))
3.000 1.100 1.100 peak 407 spectrum 1 weight .10000E+01 volume .17187E-02 ppm1 8.397 ppm2 2.225 CV 1
ASSI { 363}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HB2 ))
3.700 1.700 1.700 peak 363 spectrum 1 weight .10000E+01 volume .17163E-02 ppm1 9.004 ppm2 1.805 CV 1
OR { 363}
(( segid "A " and resid 52 and name H ))
( segid "A " and resid 51 and name HE% )
ASSI { 189}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 76 and name HA ))
2.600 .900 .900 peak 189 spectrum 1 weight .10000E+01 volume .47283E-02 ppm1 7.313 ppm2 4.409 CV 1
OR { 189}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 76 and name HB ))
ASSI { 110}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 76 and name H ))
2.600 .800 .800 peak 110 spectrum 1 weight .10000E+01 volume .29875E-02 ppm1 7.496 ppm2 7.322 CV 1
ASSI { 557}
(( segid "A " and resid 20 and name HE22))
( segid "A " and resid 12 and name HE% )
3.600 1.600 1.600 peak 557 spectrum 1 weight .10000E+01 volume .92454E-03 ppm1 7.599 ppm2 1.172 CV 1
ASSI { 57}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HA ))
2.800 1.000 1.000 peak 57 spectrum 1 weight .10000E+01 volume .23482E-02 ppm1 7.122 ppm2 4.196 CV 1
ASSI { 219}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 73 and name HA ))
3.500 1.500 1.500 peak 219 spectrum 1 weight .10000E+01 volume .75979E-03 ppm1 7.495 ppm2 4.034 CV 1
ASSI { 346}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HA ))
2.800 1.000 1.000 peak 346 spectrum 1 weight .10000E+01 volume .25621E-02 ppm1 8.204 ppm2 4.037 CV 1
ASSI { 316}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 41 and name HA ))
3.500 1.500 1.500 peak 316 spectrum 1 weight .10000E+01 volume .74256E-03 ppm1 7.779 ppm2 3.724 CV 1
ASSI { 481}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HB2 ))
3.000 1.100 1.100 peak 481 spectrum 1 weight .10000E+01 volume .16007E-02 ppm1 8.884 ppm2 1.938 CV 1
ASSI { 225}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name HB3 ))
2.500 .800 .800 peak 225 spectrum 1 weight .10000E+01 volume .22400E-02 ppm1 7.454 ppm2 1.977 CV 1
ASSI { 500}
(( segid "A " and resid 32 and name H ))
( segid "A " and resid 33 and name HB% )
3.700 1.700 1.700 peak 500 spectrum 1 weight .10000E+01 volume .16819E-02 ppm1 8.519 ppm2 1.406 CV 1
ASSI { 325}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 44 and name HB3 ))
3.600 1.600 1.600 peak 325 spectrum 1 weight .10000E+01 volume .90979E-03 ppm1 8.391 ppm2 2.585 CV 1
ASSI { 131}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 18 and name HB3 ))
2.800 1.000 1.000 peak 131 spectrum 1 weight .10000E+01 volume .11163E-02 ppm1 8.070 ppm2 2.594 CV 1
ASSI { 271}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 56 and name HD3 ))
3.700 1.700 1.700 peak 271 spectrum 1 weight .10000E+01 volume .75241E-03 ppm1 10.171 ppm2 .810 CV 1
OR { 271}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 56 and name HD2 ))
ASSI { 336}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HB3 ))
2.700 .900 .900 peak 336 spectrum 1 weight .10000E+01 volume .34350E-02 ppm1 8.204 ppm2 1.972 CV 1
ASSI { 145}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HA ))
2.700 .900 .900 peak 145 spectrum 1 weight .10000E+01 volume .32309E-02 ppm1 7.981 ppm2 3.955 CV 1
ASSI { 524}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 44 and name HB2 ))
3.100 1.200 1.200 peak 524 spectrum 1 weight .10000E+01 volume .14802E-02 ppm1 8.385 ppm2 3.062 CV 1
ASSI { 392}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HB3 ))
3.300 1.300 1.300 peak 392 spectrum 1 weight .10000E+01 volume .89008E-03 ppm1 8.482 ppm2 1.613 CV 1
ASSI { 454}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 55 and name HB2 ))
3.300 1.300 1.300 peak 454 spectrum 1 weight .10000E+01 volume .12761E-02 ppm1 9.004 ppm2 2.200 CV 1
OR { 454}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 17}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HB3 ))
2.600 .800 .800 peak 17 spectrum 1 weight .10000E+01 volume .42194E-02 ppm1 7.909 ppm2 2.012 CV 1
OR { 17}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 472}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 37 and name HB3 ))
4.100 2.100 1.900 peak 472 spectrum 1 weight .10000E+01 volume .68601E-03 ppm1 8.998 ppm2 2.992 CV 1
ASSI { 47}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 39 and name HB2 ))
5.000 3.200 1.000 peak 47 spectrum 1 weight .10000E+01 volume .51145E-03 ppm1 7.714 ppm2 2.023 CV 1
OR { 47}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 39 and name HB3 ))
ASSI { 169}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 19 and name HB ))
2.700 .900 .900 peak 169 spectrum 1 weight .10000E+01 volume .19941E-02 ppm1 8.528 ppm2 1.743 CV 1
ASSI { 147}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HB2 ))
2.800 .900 .900 peak 147 spectrum 1 weight .10000E+01 volume .28006E-02 ppm1 7.872 ppm2 1.315 CV 1
ASSI { 399}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HA ))
3.100 1.200 1.200 peak 399 spectrum 1 weight .10000E+01 volume .11139E-02 ppm1 8.123 ppm2 3.858 CV 1
ASSI { 311}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HA ))
2.500 .800 .800 peak 311 spectrum 1 weight .10000E+01 volume .45856E-02 ppm1 8.554 ppm2 3.718 CV 1
OR { 311}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HB2 ))
OR { 311}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HB3 ))
ASSI { 403}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 70 and name HA ))
3.600 1.600 1.600 peak 403 spectrum 1 weight .10000E+01 volume .27613E-02 ppm1 7.958 ppm2 4.005 CV 1
ASSI { 59}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HB2 ))
2.500 .800 .800 peak 59 spectrum 1 weight .10000E+01 volume .45145E-02 ppm1 8.918 ppm2 1.756 CV 1
OR { 59}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HB3 ))
ASSI { 167}
(( segid "A " and resid 18 and name H ))
( segid "A " and resid 18 and name HD% )
4.500 2.500 1.500 peak 167 spectrum 1 weight .10000E+01 volume .65406E-03 ppm1 8.065 ppm2 6.416 CV 1
ASSI { 265}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HB3 ))
2.300 .700 .700 peak 265 spectrum 1 weight .10000E+01 volume .62822E-02 ppm1 7.672 ppm2 1.964 CV 1
OR { 265}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 554}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 30 and name HB3 ))
3.800 1.800 1.800 peak 554 spectrum 1 weight .10000E+01 volume .13302E-02 ppm1 8.029 ppm2 2.818 CV 1
ASSI { 179}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 5 and name HA ))
3.300 1.300 1.300 peak 179 spectrum 1 weight .10000E+01 volume .11409E-02 ppm1 7.900 ppm2 4.435 CV 1
ASSI { 202}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 13 and name HB2 ))
3.000 1.100 1.100 peak 202 spectrum 1 weight .10000E+01 volume .16081E-02 ppm1 8.149 ppm2 4.064 CV 1
ASSI { 96}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 23 and name H ))
3.000 1.200 1.200 peak 96 spectrum 1 weight .10000E+01 volume .11065E-02 ppm1 8.360 ppm2 8.884 CV 1
ASSI { 492}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 61 and name H ))
4.000 2.000 2.000 peak 492 spectrum 1 weight .10000E+01 volume .57781E-03 ppm1 7.268 ppm2 8.603 CV 1
ASSI { 20}
(( segid "A " and resid 70 and name H ))
( segid "A " and resid 70 and name HE% )
5.000 3.100 1.000 peak 20 spectrum 1 weight .10000E+01 volume .56309E-03 ppm1 8.580 ppm2 6.807 CV 1
ASSI { 171}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HG3 ))
3.700 1.700 1.700 peak 171 spectrum 1 weight .10000E+01 volume .20752E-02 ppm1 8.409 ppm2 2.496 CV 1
ASSI { 542}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 10 and name HA2 ))
2.900 1.000 1.000 peak 542 spectrum 1 weight .10000E+01 volume .25350E-02 ppm1 8.625 ppm2 3.880 CV 1
ASSI { 45}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 24 and name HG3 ))
3.700 1.700 1.700 peak 45 spectrum 1 weight .10000E+01 volume .24466E-02 ppm1 8.155 ppm2 2.456 CV 1
ASSI { 436}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HG3 ))
3.400 1.400 1.400 peak 436 spectrum 1 weight .10000E+01 volume .18712E-02 ppm1 7.982 ppm2 1.530 CV 1
OR { 436}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HG2 ))
ASSI { 583}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name H ))
2.800 1.000 1.000 peak 583 spectrum 1 weight .10000E+01 volume .19326E-02 ppm1 8.602 ppm2 8.410 CV 1
ASSI { 330}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name HB2 ))
3.900 1.900 1.900 peak 330 spectrum 1 weight .10000E+01 volume .16007E-02 ppm1 7.786 ppm2 3.065 CV 1
ASSI { 536}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 55 and name HG3 ))
3.300 1.400 1.400 peak 536 spectrum 1 weight .10000E+01 volume .13327E-02 ppm1 9.000 ppm2 2.356 CV 1
OR { 536}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 55 and name HG2 ))
ASSI { 210}
(( segid "A " and resid 17 and name H ))
( segid "A " and resid 12 and name HE% )
3.600 1.600 1.600 peak 210 spectrum 1 weight .10000E+01 volume .91716E-03 ppm1 8.219 ppm2 1.174 CV 1
ASSI { 139}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 32 and name HA ))
2.600 .800 .800 peak 139 spectrum 1 weight .10000E+01 volume .49298E-02 ppm1 8.516 ppm2 4.648 CV 1
ASSI { 198}
(( segid "A " and resid 17 and name H ))
( segid "A " and resid 16 and name HB% )
3.100 1.200 1.200 peak 198 spectrum 1 weight .10000E+01 volume .15122E-02 ppm1 8.216 ppm2 1.310 CV 1
ASSI { 340}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 82 and name H ))
2.900 1.100 1.100 peak 340 spectrum 1 weight .10000E+01 volume .21957E-02 ppm1 7.884 ppm2 8.468 CV 1
ASSI { 475}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 36 and name HB3 ))
3.600 1.600 1.600 peak 475 spectrum 1 weight .10000E+01 volume .19646E-02 ppm1 7.719 ppm2 2.918 CV 1
ASSI { 187}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 48 and name HH2 ))
3.900 1.900 1.900 peak 187 spectrum 1 weight .10000E+01 volume .18663E-02 ppm1 10.172 ppm2 7.057 CV 1
ASSI { 563}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 39 and name H ))
3.500 1.500 1.500 peak 563 spectrum 1 weight .10000E+01 volume .48193E-03 ppm1 8.638 ppm2 7.774 CV 1
ASSI { 1}
(( segid "A " and resid 14 and name H ))
( segid "A " and resid 63 and name HB% )
3.100 1.200 1.200 peak 1 spectrum 1 weight .10000E+01 volume .19572E-02 ppm1 9.292 ppm2 1.770 CV 1
ASSI { 307}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name H ))
4.000 2.000 2.000 peak 307 spectrum 1 weight .10000E+01 volume .77945E-03 ppm1 8.324 ppm2 8.596 CV 1
ASSI { 840}
( segid "A " and resid 62 and name HE% )
( segid "A " and resid 59 and name HD% )
2.600 .800 .800 peak 840 spectrum 1 weight .10000E+01 volume .29628E-02 ppm1 1.916 ppm2 7.638 CV 1
ASSI { 1527}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name HB2 ))
2.700 .900 .900 peak 1527 spectrum 1 weight .10000E+01 volume .77932E-03 ppm1 .498 ppm2 1.687 CV 1
ASSI { 1397}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name HG3 ))
3.500 1.500 1.500 peak 1397 spectrum 1 weight .10000E+01 volume .67518E-03 ppm1 2.780 ppm2 2.205 CV 1
ASSI { 1443}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 50 and name H ))
2.500 .800 .800 peak 1443 spectrum 1 weight .10000E+01 volume .55660E-02 ppm1 1.262 ppm2 7.424 CV 1
ASSI { 323}
(( segid "A " and resid 17 and name HA ))
( segid "A " and resid 17 and name HE% )
3.500 1.500 1.500 peak 323 spectrum 1 weight .10000E+01 volume .27848E-02 ppm1 4.150 ppm2 7.330 CV 1
ASSI { 588}
(( segid "A " and resid 23 and name HD2 ))
(( segid "A " and resid 23 and name HG2 ))
2.800 1.000 1.000 peak 588 spectrum 1 weight .10000E+01 volume .17501E-02 ppm1 2.649 ppm2 1.331 CV 1
OR { 588}
(( segid "A " and resid 23 and name HD2 ))
(( segid "A " and resid 23 and name HG3 ))
ASSI { 216}
(( segid "A " and resid 57 and name HA2 ))
(( segid "A " and resid 60 and name HG3 ))
4.300 2.300 1.700 peak 216 spectrum 1 weight .10000E+01 volume .54418E-03 ppm1 3.878 ppm2 2.523 CV 1
OR { 216}
(( segid "A " and resid 57 and name HA2 ))
(( segid "A " and resid 60 and name HG2 ))
ASSI { 1216}
(( segid "A " and resid 62 and name HG3 ))
(( segid "A " and resid 62 and name HG2 ))
2.100 .600 .600 peak 1216 spectrum 1 weight .10000E+01 volume .31845E-02 ppm1 2.217 ppm2 2.668 CV 1
ASSI { 1517}
(( segid "A " and resid 75 and name HB3 ))
( segid "A " and resid 76 and name HG2%)
2.700 .900 .900 peak 1517 spectrum 1 weight .10000E+01 volume .37858E-02 ppm1 2.004 ppm2 1.211 CV 1
OR { 1517}
(( segid "A " and resid 75 and name HB2 ))
( segid "A " and resid 76 and name HG2%)
ASSI { 384}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 56 and name HD3 ))
3.700 1.700 1.700 peak 384 spectrum 1 weight .10000E+01 volume .23447E-02 ppm1 1.810 ppm2 .835 CV 1
OR { 384}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 56 and name HD2 ))
ASSI { 653}
( segid "A " and resid 40 and name HD% )
( segid "A " and resid 35 and name HG2%)
3.100 1.200 1.200 peak 653 spectrum 1 weight .10000E+01 volume .15016E-02 ppm1 6.895 ppm2 .343 CV 1
ASSI { 975}
( segid "A " and resid 12 and name HE% )
( segid "A " and resid 17 and name HE% )
2.900 1.000 1.000 peak 975 spectrum 1 weight .10000E+01 volume .43837E-02 ppm1 1.189 ppm2 7.323 CV 1
ASSI { 318}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 57 and name HA2 ))
2.800 1.000 1.000 peak 318 spectrum 1 weight .10000E+01 volume .13806E-02 ppm1 2.218 ppm2 3.867 CV 1
ASSI { 490}
(( segid "A " and resid 13 and name HB3 ))
(( segid "A " and resid 13 and name HB2 ))
2.600 .800 .800 peak 490 spectrum 1 weight .10000E+01 volume .11925E-02 ppm1 4.516 ppm2 4.114 CV 1
ASSI { 1141}
( segid "A " and resid 35 and name HG1%)
( segid "A " and resid 35 and name HG2%)
2.000 .500 .500 peak 1141 spectrum 1 weight .10000E+01 volume .21781E-01 ppm1 .536 ppm2 .342 CV 1
ASSI { 320}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 56 and name HE3 ))
3.800 1.800 1.800 peak 320 spectrum 1 weight .10000E+01 volume .65168E-03 ppm1 4.216 ppm2 1.935 CV 1
ASSI { 784}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
2.500 .800 .800 peak 784 spectrum 1 weight .10000E+01 volume .42897E-02 ppm1 4.440 ppm2 1.850 CV 1
OR { 784}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 1537}
(( segid "A " and resid 7 and name HB3 ))
( segid "A " and resid 77 and name HD% )
4.400 2.400 1.600 peak 1537 spectrum 1 weight .10000E+01 volume .50725E-03 ppm1 1.664 ppm2 7.074 CV 1
ASSI { 1007}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 22 and name HB2 ))
4.000 2.000 2.000 peak 1007 spectrum 1 weight .10000E+01 volume .58783E-03 ppm1 6.813 ppm2 2.522 CV 1
ASSI { 1358}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HB3 ))
1.600 .300 .600 peak 1358 spectrum 1 weight .10000E+01 volume .10991E-01 ppm1 1.332 ppm2 1.642 CV 1
ASSI { 738}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HD3 ))
3.500 1.500 1.500 peak 738 spectrum 1 weight .10000E+01 volume .15587E-02 ppm1 1.934 ppm2 3.553 CV 1
ASSI { 1192}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 77 and name HB2 ))
2.500 .800 .800 peak 1192 spectrum 1 weight .10000E+01 volume .39202E-02 ppm1 7.079 ppm2 3.083 CV 1
ASSI { 49}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 78 and name H ))
3.500 1.500 1.500 peak 49 spectrum 1 weight .10000E+01 volume .26773E-02 ppm1 .799 ppm2 7.789 CV 1
ASSI { 313}
(( segid "A " and resid 31 and name HD2 ))
(( segid "A " and resid 31 and name HD3 ))
1.800 .400 .400 peak 313 spectrum 1 weight .10000E+01 volume .72961E-02 ppm1 3.299 ppm2 3.548 CV 1
ASSI { 184}
(( segid "A " and resid 71 and name HG3 ))
(( segid "A " and resid 71 and name HA ))
3.000 1.200 1.200 peak 184 spectrum 1 weight .10000E+01 volume .32248E-02 ppm1 2.412 ppm2 3.780 CV 1
ASSI { 337}
(( segid "A " and resid 80 and name HB2 ))
(( segid "A " and resid 80 and name HD2 ))
3.200 1.300 1.300 peak 337 spectrum 1 weight .10000E+01 volume .23111E-02 ppm1 2.301 ppm2 3.636 CV 1
ASSI { 1520}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HE3 ))
4.200 2.200 1.800 peak 1520 spectrum 1 weight .10000E+01 volume .69533E-03 ppm1 4.186 ppm2 2.991 CV 1
OR { 1520}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HE2 ))
ASSI { 1184}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 8 and name HD3 ))
4.100 2.100 1.900 peak 1184 spectrum 1 weight .10000E+01 volume .66175E-03 ppm1 1.517 ppm2 2.930 CV 1
ASSI { 766}
(( segid "A " and resid 62 and name HG2 ))
(( segid "A " and resid 62 and name HA ))
3.300 1.300 1.300 peak 766 spectrum 1 weight .10000E+01 volume .13806E-02 ppm1 2.666 ppm2 3.792 CV 1
ASSI { 1353}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HD2 ))
3.100 1.200 1.200 peak 1353 spectrum 1 weight .10000E+01 volume .10749E-02 ppm1 1.540 ppm2 .814 CV 1
OR { 1353}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HD3 ))
ASSI { 985}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 59 and name H ))
3.200 1.300 1.300 peak 985 spectrum 1 weight .10000E+01 volume .88345E-03 ppm1 .875 ppm2 7.292 CV 1
ASSI { 1190}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 79 and name HD3 ))
1.800 .400 .400 peak 1190 spectrum 1 weight .10000E+01 volume .14800E-01 ppm1 4.280 ppm2 3.538 CV 1
OR { 1190}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 79 and name HD2 ))
ASSI { 1295}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 23 and name HG3 ))
2.800 1.000 1.000 peak 1295 spectrum 1 weight .10000E+01 volume .21801E-02 ppm1 2.729 ppm2 1.357 CV 1
OR { 1295}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 23 and name HG2 ))
ASSI { 42}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 43 and name H ))
3.200 1.300 1.300 peak 42 spectrum 1 weight .10000E+01 volume .12463E-02 ppm1 4.029 ppm2 7.803 CV 1
ASSI { 1379}
(( segid "A " and resid 60 and name HA ))
(( segid "A " and resid 60 and name HB2 ))
3.000 1.100 1.100 peak 1379 spectrum 1 weight .10000E+01 volume .12966E-02 ppm1 4.438 ppm2 2.361 CV 1
ASSI { 259}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HG2 ))
2.500 .800 .800 peak 259 spectrum 1 weight .10000E+01 volume .40041E-02 ppm1 1.642 ppm2 .832 CV 1
OR { 259}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 64}
(( segid "A " and resid 79 and name HD3 ))
( segid "A " and resid 77 and name HD% )
3.200 1.300 1.300 peak 64 spectrum 1 weight .10000E+01 volume .73231E-03 ppm1 3.503 ppm2 7.088 CV 1
ASSI { 144}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 59 and name H ))
2.600 .800 .800 peak 144 spectrum 1 weight .10000E+01 volume .15049E-02 ppm1 1.644 ppm2 7.291 CV 1
ASSI { 1015}
(( segid "A " and resid 70 and name HB2 ))
(( segid "A " and resid 67 and name HA ))
3.700 1.700 1.700 peak 1015 spectrum 1 weight .10000E+01 volume .77932E-03 ppm1 3.182 ppm2 4.055 CV 1
ASSI { 886}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 19 and name H ))
3.400 1.500 1.500 peak 886 spectrum 1 weight .10000E+01 volume .67854E-03 ppm1 3.599 ppm2 8.549 CV 1
ASSI { 778}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 8 and name HA ))
3.600 1.600 1.600 peak 778 spectrum 1 weight .10000E+01 volume .63825E-03 ppm1 1.665 ppm2 4.277 CV 1
ASSI { 1342}
(( segid "A " and resid 72 and name HG3 ))
(( segid "A " and resid 72 and name HB3 ))
2.400 .700 .700 peak 1342 spectrum 1 weight .10000E+01 volume .57511E-02 ppm1 1.634 ppm2 1.994 CV 1
OR { 1342}
(( segid "A " and resid 72 and name HG3 ))
(( segid "A " and resid 72 and name HB2 ))
ASSI { 1512}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name HB3 ))
2.500 .800 .800 peak 1512 spectrum 1 weight .10000E+01 volume .53111E-02 ppm1 1.262 ppm2 1.986 CV 1
OR { 1512}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name HB2 ))
ASSI { 62}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 26 and name HB2 ))
3.400 1.400 1.400 peak 62 spectrum 1 weight .10000E+01 volume .80958E-03 ppm1 6.881 ppm2 3.179 CV 1
ASSI { 1297}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 58 and name HA ))
3.200 1.300 1.300 peak 1297 spectrum 1 weight .10000E+01 volume .12160E-02 ppm1 2.600 ppm2 4.075 CV 1
ASSI { 1383}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HD2 ))
2.900 1.100 1.100 peak 1383 spectrum 1 weight .10000E+01 volume .50924E-02 ppm1 4.280 ppm2 1.694 CV 1
OR { 1383}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HD3 ))
ASSI { 810}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HB3 ))
2.300 .600 .600 peak 810 spectrum 1 weight .10000E+01 volume .82836E-02 ppm1 4.501 ppm2 1.939 CV 1
OR { 810}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 111}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 80 and name HB2 ))
2.400 .700 .700 peak 111 spectrum 1 weight .10000E+01 volume .11640E-01 ppm1 4.400 ppm2 2.297 CV 1
ASSI { 188}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 19 and name H ))
3.500 1.500 1.500 peak 188 spectrum 1 weight .10000E+01 volume .15150E-02 ppm1 .820 ppm2 8.540 CV 1
ASSI { 1260}
(( segid "A " and resid 56 and name HD2 ))
(( segid "A " and resid 56 and name HE2 ))
3.400 1.400 1.400 peak 1260 spectrum 1 weight .10000E+01 volume .10581E-02 ppm1 .867 ppm2 1.242 CV 1
ASSI { 715}
(( segid "A " and resid 23 and name HG3 ))
( segid "A " and resid 40 and name HE% )
3.700 1.700 1.700 peak 715 spectrum 1 weight .10000E+01 volume .55090E-03 ppm1 1.288 ppm2 6.866 CV 1
OR { 715}
(( segid "A " and resid 23 and name HG3 ))
(( segid "A " and resid 40 and name HZ ))
ASSI { 1502}
(( segid "A " and resid 67 and name HB2 ))
(( segid "A " and resid 67 and name HG2 ))
2.600 .800 .800 peak 1502 spectrum 1 weight .10000E+01 volume .31140E-02 ppm1 2.139 ppm2 1.482 CV 1
OR { 1502}
(( segid "A " and resid 67 and name HB2 ))
(( segid "A " and resid 67 and name HG3 ))
ASSI { 1618}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 68 and name HA ))
4.000 2.000 2.000 peak 1618 spectrum 1 weight .10000E+01 volume .11992E-02 ppm1 2.153 ppm2 4.282 CV 1
ASSI { 1140}
(( segid "A " and resid 47 and name HD3 ))
(( segid "A " and resid 18 and name HZ ))
3.600 1.600 1.600 peak 1140 spectrum 1 weight .10000E+01 volume .48374E-03 ppm1 3.364 ppm2 7.076 CV 1
ASSI { 1486}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 31 and name HA ))
3.800 1.800 1.800 peak 1486 spectrum 1 weight .10000E+01 volume .17300E-02 ppm1 1.924 ppm2 4.495 CV 1
ASSI { 22}
(( segid "A " and resid 48 and name HB3 ))
(( segid "A " and resid 48 and name HD1 ))
3.300 1.400 1.400 peak 22 spectrum 1 weight .10000E+01 volume .57776E-03 ppm1 3.353 ppm2 6.926 CV 1
ASSI { 1339}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HB2 ))
3.300 1.400 1.400 peak 1339 spectrum 1 weight .10000E+01 volume .90696E-03 ppm1 4.106 ppm2 3.753 CV 1
ASSI { 75}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HA ))
3.800 1.800 1.800 peak 75 spectrum 1 weight .10000E+01 volume .18879E-02 ppm1 7.000 ppm2 4.028 CV 1
ASSI { 1402}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 5 and name HG3 ))
4.500 2.500 1.500 peak 1402 spectrum 1 weight .10000E+01 volume .10447E-02 ppm1 2.620 ppm2 2.043 CV 1
OR { 1402}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 5 and name HG2 ))
OR { 1402}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 5 and name HB3 ))
ASSI { 1597}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 12 and name HA ))
3.000 1.100 1.100 peak 1597 spectrum 1 weight .10000E+01 volume .15083E-02 ppm1 2.141 ppm2 4.382 CV 1
ASSI { 966}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 24 and name HA ))
2.900 1.100 1.100 peak 966 spectrum 1 weight .10000E+01 volume .38093E-02 ppm1 2.250 ppm2 4.042 CV 1
ASSI { 10}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HD2 ))
3.600 1.700 1.700 peak 10 spectrum 1 weight .10000E+01 volume .20424E-02 ppm1 1.938 ppm2 3.302 CV 1
ASSI { 1418}
(( segid "A " and resid 41 and name HA ))
( segid "A " and resid 40 and name HD% )
3.600 1.600 1.600 peak 1418 spectrum 1 weight .10000E+01 volume .72223E-03 ppm1 3.752 ppm2 6.901 CV 1
OR { 1418}
(( segid "A " and resid 41 and name HA ))
( segid "A " and resid 40 and name HE% )
ASSI { 1059}
(( segid "A " and resid 47 and name HG2 ))
(( segid "A " and resid 18 and name HZ ))
3.300 1.300 1.300 peak 1059 spectrum 1 weight .10000E+01 volume .11152E-02 ppm1 1.861 ppm2 7.096 CV 1
ASSI { 1636}
( segid "A " and resid 35 and name HG1%)
( segid "A " and resid 40 and name HD% )
2.800 1.000 1.000 peak 1636 spectrum 1 weight .10000E+01 volume .33894E-02 ppm1 .535 ppm2 6.884 CV 1
OR { 1636}
( segid "A " and resid 35 and name HG1%)
( segid "A " and resid 40 and name HE% )
ASSI { 591}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 45 and name H ))
3.300 1.300 1.300 peak 591 spectrum 1 weight .10000E+01 volume .12597E-02 ppm1 4.119 ppm2 8.354 CV 1
ASSI { 262}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 8 and name HD2 ))
3.100 1.200 1.200 peak 262 spectrum 1 weight .10000E+01 volume .67182E-03 ppm1 1.666 ppm2 3.322 CV 1
ASSI { 54}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 40 and name HA ))
3.100 1.200 1.200 peak 54 spectrum 1 weight .10000E+01 volume .19416E-02 ppm1 3.001 ppm2 4.031 CV 1
ASSI { 967}
(( segid "A " and resid 47 and name HG3 ))
(( segid "A " and resid 47 and name HA ))
2.900 1.100 1.100 peak 967 spectrum 1 weight .10000E+01 volume .23615E-02 ppm1 1.933 ppm2 4.152 CV 1
ASSI { 174}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 58 and name HE2 ))
4.200 2.200 1.800 peak 174 spectrum 1 weight .10000E+01 volume .37959E-03 ppm1 7.602 ppm2 2.746 CV 1
ASSI { 1245}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 51 and name H ))
3.000 1.100 1.100 peak 1245 spectrum 1 weight .10000E+01 volume .11455E-02 ppm1 1.815 ppm2 7.142 CV 1
ASSI { 604}
( segid "A " and resid 76 and name HG2%)
(( segid "A " and resid 76 and name HB ))
2.000 .500 .500 peak 604 spectrum 1 weight .10000E+01 volume .24845E-01 ppm1 1.202 ppm2 4.425 CV 1
OR { 604}
( segid "A " and resid 76 and name HG2%)
(( segid "A " and resid 76 and name HA ))
ASSI { 837}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 78 and name HB ))
2.100 .600 .600 peak 837 spectrum 1 weight .10000E+01 volume .12137E-01 ppm1 .797 ppm2 1.663 CV 1
ASSI { 1291}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 53 and name HA ))
3.800 1.800 1.800 peak 1291 spectrum 1 weight .10000E+01 volume .64496E-03 ppm1 1.923 ppm2 3.922 CV 1
ASSI { 438}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HG3 ))
2.700 .900 .900 peak 438 spectrum 1 weight .10000E+01 volume .46594E-02 ppm1 3.977 ppm2 1.097 CV 1
ASSI { 1201}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 79 and name HB2 ))
3.600 1.600 1.600 peak 1201 spectrum 1 weight .10000E+01 volume .24321E-02 ppm1 6.738 ppm2 2.338 CV 1
ASSI { 536}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 23 and name HA ))
2.900 1.100 1.100 peak 536 spectrum 1 weight .10000E+01 volume .13739E-02 ppm1 1.958 ppm2 3.784 CV 1
ASSI { 1179}
(( segid "A " and resid 12 and name HB2 ))
(( segid "A " and resid 12 and name H ))
3.000 1.100 1.100 peak 1179 spectrum 1 weight .10000E+01 volume .12731E-02 ppm1 1.567 ppm2 8.981 CV 1
ASSI { 780}
(( segid "A " and resid 33 and name HA ))
( segid "A " and resid 33 and name HB% )
2.200 .600 .600 peak 780 spectrum 1 weight .10000E+01 volume .11082E-01 ppm1 4.435 ppm2 1.423 CV 1
ASSI { 948}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HE2 ))
2.900 1.100 1.100 peak 948 spectrum 1 weight .10000E+01 volume .25798E-02 ppm1 1.309 ppm2 2.925 CV 1
OR { 948}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HE3 ))
ASSI { 1360}
(( segid "A " and resid 67 and name HE3 ))
(( segid "A " and resid 67 and name HD2 ))
2.300 .700 .700 peak 1360 spectrum 1 weight .10000E+01 volume .70911E-02 ppm1 3.094 ppm2 1.788 CV 1
OR { 1360}
(( segid "A " and resid 67 and name HE2 ))
(( segid "A " and resid 67 and name HD3 ))
OR { 1360}
(( segid "A " and resid 67 and name HE3 ))
(( segid "A " and resid 67 and name HD3 ))
OR { 1360}
(( segid "A " and resid 67 and name HE2 ))
(( segid "A " and resid 67 and name HD2 ))
ASSI { 909}
(( segid "A " and resid 8 and name HD3 ))
(( segid "A " and resid 8 and name HG3 ))
2.700 .900 .900 peak 909 spectrum 1 weight .10000E+01 volume .21767E-02 ppm1 2.921 ppm2 1.535 CV 1
OR { 909}
(( segid "A " and resid 8 and name HD3 ))
(( segid "A " and resid 8 and name HB3 ))
ASSI { 326}
(( segid "A " and resid 7 and name HE3 ))
( segid "A " and resid 77 and name HE% )
3.500 1.500 1.500 peak 326 spectrum 1 weight .10000E+01 volume .11824E-02 ppm1 2.988 ppm2 6.767 CV 1
OR { 326}
(( segid "A " and resid 7 and name HE2 ))
( segid "A " and resid 77 and name HE% )
ASSI { 1363}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name HG2 ))
2.100 2.100 3.900 peak 1363 spectrum 1 weight .10000E+01 volume .44478E-02 ppm1 1.261 ppm2 1.722 CV 1
OR { 1363}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name HD2 ))
OR { 1363}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name HD3 ))
ASSI { 25}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 17 and name HA ))
3.300 1.300 1.300 peak 25 spectrum 1 weight .10000E+01 volume .10514E-02 ppm1 3.647 ppm2 4.152 CV 1
ASSI { 1556}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HB2 ))
1.700 .300 .500 peak 1556 spectrum 1 weight .10000E+01 volume .12768E-01 ppm1 1.520 ppm2 1.301 CV 1
OR { 1556}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HG2 ))
ASSI { 1330}
(( segid "A " and resid 80 and name HD3 ))
( segid "A " and resid 77 and name HE% )
4.100 2.100 1.900 peak 1330 spectrum 1 weight .10000E+01 volume .63489E-03 ppm1 3.871 ppm2 6.759 CV 1
ASSI { 1602}
( segid "A " and resid 18 and name HD% )
( segid "A " and resid 18 and name HE% )
3.100 1.200 1.200 peak 1602 spectrum 1 weight .10000E+01 volume .11623E-02 ppm1 6.442 ppm2 7.402 CV 1
ASSI { 103}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 28 and name HB3 ))
2.900 1.100 1.100 peak 103 spectrum 1 weight .10000E+01 volume .11959E-02 ppm1 1.090 ppm2 1.897 CV 1
ASSI { 1519}
( segid "A " and resid 15 and name HE% )
( segid "B " and resid 144 and name HE% )
3.700 1.700 1.700 peak 1519 spectrum 1 weight .10000E+01 volume .55090E-03 ppm1 6.353 ppm2 2.000 CV 1
ASSI { 651}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 46 and name HA ))
2.900 1.100 1.100 peak 651 spectrum 1 weight .10000E+01 volume .19181E-02 ppm1 1.262 ppm2 4.070 CV 1
ASSI { 568}
(( segid "A " and resid 47 and name HG2 ))
(( segid "A " and resid 47 and name H ))
3.500 1.500 1.500 peak 568 spectrum 1 weight .10000E+01 volume .12093E-02 ppm1 1.865 ppm2 7.963 CV 1
ASSI { 821}
(( segid "A " and resid 40 and name HB3 ))
( segid "A " and resid 40 and name HD% )
2.900 1.100 1.100 peak 821 spectrum 1 weight .10000E+01 volume .15452E-02 ppm1 2.988 ppm2 6.929 CV 1
ASSI { 1491}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 27 and name HA ))
3.300 1.300 1.300 peak 1491 spectrum 1 weight .10000E+01 volume .11152E-02 ppm1 1.426 ppm2 3.950 CV 1
ASSI { 628}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 32 and name HB2 ))
2.600 .900 .900 peak 628 spectrum 1 weight .10000E+01 volume .53411E-02 ppm1 4.658 ppm2 2.651 CV 1
ASSI { 1102}
( segid "A " and resid 78 and name HD1%)
( segid "A " and resid 77 and name HD% )
3.000 3.000 3.000 peak 1102 spectrum 1 weight .10000E+01 volume .65503E-03 ppm1 .795 ppm2 7.069 CV 1
ASSI { 387}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HB3 ))
3.000 1.100 1.100 peak 387 spectrum 1 weight .10000E+01 volume .26773E-02 ppm1 .824 ppm2 1.619 CV 1
ASSI { 1039}
( segid "A " and resid 53 and name HB% )
(( segid "A " and resid 53 and name HA ))
2.100 .600 .600 peak 1039 spectrum 1 weight .10000E+01 volume .12620E-01 ppm1 1.429 ppm2 3.920 CV 1
ASSI { 581}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 78 and name HA ))
2.200 .600 .600 peak 581 spectrum 1 weight .10000E+01 volume .11831E-01 ppm1 .800 ppm2 4.281 CV 1
ASSI { 753}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 64 and name H ))
2.600 .800 .800 peak 753 spectrum 1 weight .10000E+01 volume .40277E-02 ppm1 1.782 ppm2 8.586 CV 1
ASSI { 1576}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 4 and name HA ))
2.200 .600 .600 peak 1576 spectrum 1 weight .10000E+01 volume .66043E-02 ppm1 3.940 ppm2 4.885 CV 1
ASSI { 197}
(( segid "A " and resid 50 and name HB ))
( segid "A " and resid 50 and name HG2%)
2.100 .500 .500 peak 197 spectrum 1 weight .10000E+01 volume .16047E-01 ppm1 4.470 ppm2 1.259 CV 1
ASSI { 8}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 30 and name HA ))
4.700 2.700 1.300 peak 8 spectrum 1 weight .10000E+01 volume .93386E-03 ppm1 1.982 ppm2 4.992 CV 1
ASSI { 1626}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 62 and name H ))
3.400 1.400 1.400 peak 1626 spectrum 1 weight .10000E+01 volume .12631E-02 ppm1 4.460 ppm2 7.394 CV 1
ASSI { 1413}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 47 and name HA ))
3.100 1.200 1.200 peak 1413 spectrum 1 weight .10000E+01 volume .20088E-02 ppm1 1.261 ppm2 4.141 CV 1
ASSI { 1282}
( segid "A " and resid 37 and name HD% )
( segid "A " and resid 35 and name HG2%)
4.000 2.000 2.000 peak 1282 spectrum 1 weight .10000E+01 volume .47363E-03 ppm1 7.076 ppm2 .351 CV 1
ASSI { 275}
( segid "A " and resid 51 and name HE% )
( segid "A " and resid 18 and name HE% )
2.700 .900 .900 peak 275 spectrum 1 weight .10000E+01 volume .31912E-02 ppm1 1.812 ppm2 7.388 CV 1
ASSI { 139}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name H ))
3.200 1.300 1.300 peak 139 spectrum 1 weight .10000E+01 volume .15318E-02 ppm1 1.729 ppm2 7.691 CV 1
ASSI { 3}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 23 and name HG2 ))
3.600 1.600 1.600 peak 3 spectrum 1 weight .10000E+01 volume .10212E-02 ppm1 .820 ppm2 1.399 CV 1
ASSI { 641}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 48 and name HB3 ))
3.100 1.200 1.200 peak 641 spectrum 1 weight .10000E+01 volume .11186E-02 ppm1 6.964 ppm2 3.354 CV 1
OR { 641}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 48 and name HB2 ))
ASSI { 15}
(( segid "A " and resid 48 and name HD1 ))
( segid "A " and resid 15 and name HE% )
3.800 1.800 1.800 peak 15 spectrum 1 weight .10000E+01 volume .47027E-03 ppm1 6.966 ppm2 6.345 CV 1
ASSI { 272}
( segid "A " and resid 15 and name HE% )
( segid "A " and resid 18 and name HE% )
3.900 1.900 1.900 peak 272 spectrum 1 weight .10000E+01 volume .57776E-03 ppm1 6.366 ppm2 7.405 CV 1
ASSI { 26}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 62 and name H ))
4.300 2.300 1.700 peak 26 spectrum 1 weight .10000E+01 volume .67182E-03 ppm1 2.225 ppm2 7.381 CV 1
ASSI { 936}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HG3 ))
3.000 1.100 1.100 peak 936 spectrum 1 weight .10000E+01 volume .30266E-02 ppm1 1.520 ppm2 1.095 CV 1
ASSI { 499}
( segid "A " and resid 15 and name HD% )
( segid "B " and resid 144 and name HE% )
4.100 2.100 1.900 peak 499 spectrum 1 weight .10000E+01 volume .53411E-03 ppm1 5.807 ppm2 2.001 CV 1
OR { 499}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 144 and name HB3 ))
ASSI { 650}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name H ))
3.500 1.500 1.500 peak 650 spectrum 1 weight .10000E+01 volume .28587E-02 ppm1 1.316 ppm2 7.448 CV 1
ASSI { 1529}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HA ))
2.800 1.000 1.000 peak 1529 spectrum 1 weight .10000E+01 volume .41520E-02 ppm1 1.296 ppm2 3.974 CV 1
ASSI { 661}
(( segid "A " and resid 72 and name HB3 ))
(( segid "A " and resid 72 and name H ))
2.500 .800 .800 peak 661 spectrum 1 weight .10000E+01 volume .41419E-02 ppm1 2.019 ppm2 8.011 CV 1
OR { 661}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 72 and name H ))
ASSI { 140}
(( segid "A " and resid 62 and name HG3 ))
(( segid "A " and resid 62 and name HB3 ))
3.700 1.700 1.700 peak 140 spectrum 1 weight .10000E+01 volume .99430E-03 ppm1 2.217 ppm2 .486 CV 1
ASSI { 1504}
(( segid "A " and resid 46 and name HG2 ))
( segid "B " and resid 143 and name HD1%)
3.800 1.800 1.800 peak 1504 spectrum 1 weight .10000E+01 volume .54754E-03 ppm1 2.359 ppm2 .852 CV 1
ASSI { 1312}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 19 and name HB ))
2.400 .700 .700 peak 1312 spectrum 1 weight .10000E+01 volume .48675E-02 ppm1 .288 ppm2 1.761 CV 1
ASSI { 1162}
(( segid "A " and resid 56 and name HD3 ))
(( segid "A " and resid 56 and name HE3 ))
3.300 1.400 1.400 peak 1162 spectrum 1 weight .10000E+01 volume .12563E-02 ppm1 .809 ppm2 1.921 CV 1
ASSI { 203}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 59 and name HB2 ))
3.500 1.500 1.500 peak 203 spectrum 1 weight .10000E+01 volume .88010E-03 ppm1 4.440 ppm2 3.357 CV 1
ASSI { 1507}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name H ))
2.600 .900 .900 peak 1507 spectrum 1 weight .10000E+01 volume .33625E-02 ppm1 4.023 ppm2 8.198 CV 1
ASSI { 860}
(( segid "A " and resid 26 and name HE1 ))
(( segid "A " and resid 30 and name HD2 ))
4.100 2.100 1.900 peak 860 spectrum 1 weight .10000E+01 volume .54754E-03 ppm1 7.492 ppm2 6.501 CV 1
ASSI { 1144}
(( segid "A " and resid 8 and name HD3 ))
(( segid "A " and resid 7 and name HG2 ))
3.800 1.800 1.800 peak 1144 spectrum 1 weight .10000E+01 volume .82637E-03 ppm1 2.919 ppm2 1.347 CV 1
ASSI { 1091}
(( segid "A " and resid 58 and name HG2 ))
( segid "A " and resid 62 and name HE% )
2.800 1.000 1.000 peak 1091 spectrum 1 weight .10000E+01 volume .17468E-02 ppm1 .866 ppm2 1.909 CV 1
ASSI { 893}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 63 and name H ))
4.200 2.200 1.800 peak 893 spectrum 1 weight .10000E+01 volume .47698E-03 ppm1 .492 ppm2 7.978 CV 1
ASSI { 371}
( segid "A " and resid 62 and name HE% )
( segid "A " and resid 21 and name HG2%)
2.200 .600 .600 peak 371 spectrum 1 weight .10000E+01 volume .94425E-02 ppm1 1.915 ppm2 1.572 CV 1
ASSI { 1225}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 21 and name H ))
2.600 .800 .800 peak 1225 spectrum 1 weight .10000E+01 volume .32550E-02 ppm1 1.550 ppm2 8.155 CV 1
ASSI { 1305}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HG3 ))
2.700 .900 .900 peak 1305 spectrum 1 weight .10000E+01 volume .30636E-02 ppm1 4.219 ppm2 2.535 CV 1
OR { 1305}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HG2 ))
ASSI { 830}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 62 and name HA ))
3.500 1.500 1.500 peak 830 spectrum 1 weight .10000E+01 volume .92043E-03 ppm1 1.688 ppm2 3.793 CV 1
ASSI { 1215}
(( segid "A " and resid 26 and name HE1 ))
(( segid "A " and resid 30 and name HB3 ))
4.600 2.700 1.400 peak 1215 spectrum 1 weight .10000E+01 volume .49382E-03 ppm1 7.501 ppm2 2.829 CV 1
ASSI { 858}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 77 and name HA ))
2.500 .800 .800 peak 858 spectrum 1 weight .10000E+01 volume .63621E-02 ppm1 7.086 ppm2 4.515 CV 1
ASSI { 973}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 7 and name HA ))
2.900 1.100 1.100 peak 973 spectrum 1 weight .10000E+01 volume .19450E-02 ppm1 1.056 ppm2 3.858 CV 1
ASSI { 288}
(( segid "A " and resid 18 and name HB2 ))
( segid "A " and resid 18 and name HD% )
3.300 1.400 1.400 peak 288 spectrum 1 weight .10000E+01 volume .87338E-03 ppm1 2.114 ppm2 6.450 CV 1
ASSI { 1087}
(( segid "A " and resid 48 and name HB2 ))
(( segid "A " and resid 48 and name HA ))
3.000 1.100 1.100 peak 1087 spectrum 1 weight .10000E+01 volume .90696E-03 ppm1 3.364 ppm2 4.340 CV 1
ASSI { 348}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 44 and name HB2 ))
3.300 1.300 1.300 peak 348 spectrum 1 weight .10000E+01 volume .11959E-02 ppm1 4.117 ppm2 3.042 CV 1
ASSI { 293}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 11 and name HD3 ))
2.600 .900 .900 peak 293 spectrum 1 weight .10000E+01 volume .51498E-02 ppm1 2.554 ppm2 1.539 CV 1
OR { 293}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 11 and name HB2 ))
OR { 293}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 11 and name HB3 ))
ASSI { 713}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 39 and name HB2 ))
4.100 2.100 1.900 peak 713 spectrum 1 weight .10000E+01 volume .64496E-03 ppm1 .537 ppm2 2.050 CV 1
OR { 713}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 39 and name HB3 ))
ASSI { 935}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 46 and name H ))
3.800 1.800 1.800 peak 935 spectrum 1 weight .10000E+01 volume .13470E-02 ppm1 4.008 ppm2 8.008 CV 1
ASSI { 742}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 6 and name H ))
2.500 .800 .800 peak 742 spectrum 1 weight .10000E+01 volume .30199E-02 ppm1 1.884 ppm2 8.362 CV 1
ASSI { 605}
(( segid "A " and resid 12 and name HB2 ))
(( segid "A " and resid 12 and name HG2 ))
3.300 1.400 1.400 peak 605 spectrum 1 weight .10000E+01 volume .12194E-02 ppm1 1.567 ppm2 2.119 CV 1
ASSI { 616}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 78 and name HA ))
3.200 1.200 1.200 peak 616 spectrum 1 weight .10000E+01 volume .12899E-02 ppm1 7.090 ppm2 4.316 CV 1
ASSI { 1062}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HB2 ))
2.900 1.100 1.100 peak 1062 spectrum 1 weight .10000E+01 volume .21566E-02 ppm1 4.121 ppm2 2.511 CV 1
ASSI { 1551}
(( segid "A " and resid 78 and name HA ))
( segid "A " and resid 78 and name HG2%)
2.300 .600 .600 peak 1551 spectrum 1 weight .10000E+01 volume .11754E-01 ppm1 4.280 ppm2 .799 CV 1
OR { 1551}
(( segid "A " and resid 78 and name HA ))
( segid "A " and resid 78 and name HD1%)
ASSI { 91}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 35 and name HA ))
2.800 .900 .900 peak 91 spectrum 1 weight .10000E+01 volume .56601E-02 ppm1 .352 ppm2 4.003 CV 1
ASSI { 1255}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HG3 ))
1.500 .300 .700 peak 1255 spectrum 1 weight .10000E+01 volume .19265E-01 ppm1 1.317 ppm2 1.096 CV 1
ASSI { 1427}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 52 and name H ))
3.100 1.200 1.200 peak 1427 spectrum 1 weight .10000E+01 volume .93722E-03 ppm1 4.367 ppm2 8.992 CV 1
ASSI { 309}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB3 ))
2.700 .900 .900 peak 309 spectrum 1 weight .10000E+01 volume .27243E-02 ppm1 3.780 ppm2 2.139 CV 1
ASSI { 1447}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 36 and name HB3 ))
3.000 1.100 1.100 peak 1447 spectrum 1 weight .10000E+01 volume .25059E-02 ppm1 2.204 ppm2 2.930 CV 1
ASSI { 1513}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 8 and name HD2 ))
4.100 2.200 1.900 peak 1513 spectrum 1 weight .10000E+01 volume .71552E-03 ppm1 1.582 ppm2 3.331 CV 1
ASSI { 1495}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 48 and name HB2 ))
3.900 1.900 1.900 peak 1495 spectrum 1 weight .10000E+01 volume .60803E-03 ppm1 5.825 ppm2 3.379 CV 1
OR { 1495}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 48 and name HB3 ))
ASSI { 286}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 11 and name HG3 ))
3.900 1.900 1.900 peak 286 spectrum 1 weight .10000E+01 volume .51061E-03 ppm1 7.200 ppm2 1.191 CV 1
ASSI { 970}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name HB2 ))
2.200 .600 .600 peak 970 spectrum 1 weight .10000E+01 volume .12520E-01 ppm1 4.120 ppm2 2.011 CV 1
OR { 970}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name HB3 ))
ASSI { 447}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 23 and name HB2 ))
3.700 1.700 1.700 peak 447 spectrum 1 weight .10000E+01 volume .75917E-03 ppm1 2.725 ppm2 1.923 CV 1
ASSI { 1404}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 30 and name HB3 ))
4.000 2.000 2.000 peak 1404 spectrum 1 weight .10000E+01 volume .90024E-03 ppm1 6.517 ppm2 2.808 CV 1
ASSI { 1323}
(( segid "A " and resid 77 and name HB3 ))
( segid "A " and resid 78 and name HD1%)
4.400 2.500 1.600 peak 1323 spectrum 1 weight .10000E+01 volume .48374E-03 ppm1 2.974 ppm2 .795 CV 1
OR { 1323}
(( segid "A " and resid 77 and name HB3 ))
( segid "A " and resid 78 and name HG2%)
ASSI { 816}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name H ))
4.500 2.600 1.500 peak 816 spectrum 1 weight .10000E+01 volume .53075E-03 ppm1 1.930 ppm2 8.118 CV 1
ASSI { 1241}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 19 and name HB ))
3.000 1.100 1.100 peak 1241 spectrum 1 weight .10000E+01 volume .12463E-02 ppm1 3.606 ppm2 1.767 CV 1
ASSI { 1257}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 56 and name HD3 ))
2.500 .800 .800 peak 1257 spectrum 1 weight .10000E+01 volume .32617E-02 ppm1 1.245 ppm2 .830 CV 1
OR { 1257}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 56 and name HD2 ))
ASSI { 126}
(( segid "A " and resid 67 and name HD3 ))
(( segid "A " and resid 67 and name HB2 ))
3.100 1.200 1.200 peak 126 spectrum 1 weight .10000E+01 volume .21465E-02 ppm1 1.778 ppm2 2.132 CV 1
OR { 126}
(( segid "A " and resid 67 and name HD2 ))
(( segid "A " and resid 67 and name HB2 ))
ASSI { 526}
(( segid "A " and resid 8 and name HD3 ))
(( segid "A " and resid 7 and name HG3 ))
4.200 2.200 1.800 peak 526 spectrum 1 weight .10000E+01 volume .10346E-02 ppm1 2.923 ppm2 1.057 CV 1
ASSI { 876}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 49 and name H ))
3.200 1.300 1.300 peak 876 spectrum 1 weight .10000E+01 volume .13101E-02 ppm1 4.357 ppm2 7.698 CV 1
ASSI { 1390}
(( segid "A " and resid 31 and name HD3 ))
(( segid "A " and resid 31 and name HG2 ))
2.200 .600 .600 peak 1390 spectrum 1 weight .10000E+01 volume .87740E-02 ppm1 3.558 ppm2 1.955 CV 1
OR { 1390}
(( segid "A " and resid 31 and name HD3 ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 162}
( segid "A " and resid 15 and name HD% )
( segid "A " and resid 15 and name HE% )
2.500 .800 .800 peak 162 spectrum 1 weight .10000E+01 volume .50623E-02 ppm1 5.812 ppm2 6.356 CV 1
ASSI { 339}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name HB2 ))
3.000 1.100 1.100 peak 339 spectrum 1 weight .10000E+01 volume .65168E-03 ppm1 -.017 ppm2 1.530 CV 1
ASSI { 1186}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 56 and name HG2 ))
3.000 1.100 1.100 peak 1186 spectrum 1 weight .10000E+01 volume .10010E-02 ppm1 1.249 ppm2 1.037 CV 1
ASSI { 1150}
(( segid "A " and resid 43 and name HE2 ))
(( segid "A " and resid 43 and name H ))
3.200 1.300 1.300 peak 1150 spectrum 1 weight .10000E+01 volume .12798E-02 ppm1 2.925 ppm2 7.787 CV 1
ASSI { 342}
(( segid "A " and resid 13 and name HB2 ))
(( segid "A " and resid 13 and name HA ))
3.100 1.200 1.200 peak 342 spectrum 1 weight .10000E+01 volume .14142E-02 ppm1 4.068 ppm2 4.599 CV 1
ASSI { 625}
( segid "A " and resid 37 and name HD% )
(( segid "A " and resid 37 and name HB2 ))
3.200 1.300 1.300 peak 625 spectrum 1 weight .10000E+01 volume .11824E-02 ppm1 7.082 ppm2 3.033 CV 1
OR { 625}
( segid "A " and resid 37 and name HD% )
(( segid "A " and resid 37 and name HB3 ))
ASSI { 569}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 12 and name HG2 ))
2.700 .900 .900 peak 569 spectrum 1 weight .10000E+01 volume .45719E-02 ppm1 1.189 ppm2 2.160 CV 1
ASSI { 1222}
(( segid "A " and resid 16 and name HA ))
( segid "A " and resid 16 and name HB% )
2.600 .800 .800 peak 1222 spectrum 1 weight .10000E+01 volume .36514E-02 ppm1 3.604 ppm2 1.318 CV 1
ASSI { 36}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 18 and name HZ ))
3.700 1.700 1.700 peak 36 spectrum 1 weight .10000E+01 volume .60467E-03 ppm1 4.119 ppm2 7.115 CV 1
ASSI { 366}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 5 and name HD2 ))
3.400 1.500 1.500 peak 366 spectrum 1 weight .10000E+01 volume .18341E-02 ppm1 2.784 ppm2 3.906 CV 1
OR { 366}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 5 and name HD3 ))
ASSI { 1524}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 56 and name HE3 ))
3.100 1.200 1.200 peak 1524 spectrum 1 weight .10000E+01 volume .19685E-02 ppm1 2.530 ppm2 1.922 CV 1
OR { 1524}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 56 and name HE3 ))
ASSI { 1488}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 11 and name HG3 ))
2.800 1.000 1.000 peak 1488 spectrum 1 weight .10000E+01 volume .22909E-02 ppm1 1.544 ppm2 1.184 CV 1
OR { 1488}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 11 and name HG3 ))
ASSI { 172}
(( segid "A " and resid 6 and name HB2 ))
( segid "A " and resid 77 and name HE% )
3.400 1.500 1.500 peak 172 spectrum 1 weight .10000E+01 volume .62481E-03 ppm1 1.880 ppm2 6.758 CV 1
ASSI { 634}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 71 and name HA ))
3.400 1.400 1.400 peak 634 spectrum 1 weight .10000E+01 volume .97416E-03 ppm1 7.210 ppm2 3.817 CV 1
ASSI { 1639}
(( segid "A " and resid 47 and name HB2 ))
(( segid "A " and resid 18 and name HZ ))
3.900 1.900 1.900 peak 1639 spectrum 1 weight .10000E+01 volume .71216E-03 ppm1 2.142 ppm2 7.079 CV 1
ASSI { 724}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HE3 ))
2.700 .900 .900 peak 724 spectrum 1 weight .10000E+01 volume .31643E-02 ppm1 1.732 ppm2 2.956 CV 1
OR { 724}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HE2 ))
ASSI { 579}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 29 and name H ))
3.800 1.800 1.800 peak 579 spectrum 1 weight .10000E+01 volume .90696E-03 ppm1 6.516 ppm2 7.475 CV 1
ASSI { 1534}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 1534 spectrum 1 weight .10000E+01 volume .89017E-03 ppm1 3.728 ppm2 2.099 CV 1
ASSI { 674}
(( segid "A " and resid 47 and name HG2 ))
(( segid "A " and resid 47 and name HA ))
3.100 1.200 1.200 peak 674 spectrum 1 weight .10000E+01 volume .20390E-02 ppm1 1.868 ppm2 4.156 CV 1
ASSI { 56}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 58 and name HG2 ))
4.300 2.300 1.700 peak 56 spectrum 1 weight .10000E+01 volume .40646E-03 ppm1 .498 ppm2 .828 CV 1
OR { 56}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 550}
(( segid "A " and resid 58 and name HD3 ))
(( segid "A " and resid 58 and name HG3 ))
2.100 .600 .600 peak 550 spectrum 1 weight .10000E+01 volume .10790E-01 ppm1 1.476 ppm2 .838 CV 1
OR { 550}
(( segid "A " and resid 58 and name HD2 ))
(( segid "A " and resid 58 and name HG2 ))
OR { 550}
(( segid "A " and resid 58 and name HD3 ))
(( segid "A " and resid 58 and name HG2 ))
OR { 550}
(( segid "A " and resid 58 and name HD2 ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 1258}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 51 and name HB3 ))
2.600 .900 .900 peak 1258 spectrum 1 weight .10000E+01 volume .13168E-02 ppm1 1.923 ppm2 1.641 CV 1
ASSI { 1386}
(( segid "A " and resid 72 and name HG3 ))
(( segid "A " and resid 72 and name HD2 ))
2.300 .700 .700 peak 1386 spectrum 1 weight .10000E+01 volume .68393E-02 ppm1 1.633 ppm2 3.272 CV 1
OR { 1386}
(( segid "A " and resid 72 and name HG3 ))
(( segid "A " and resid 72 and name HD3 ))
ASSI { 273}
( segid "A " and resid 17 and name HE% )
( segid "A " and resid 63 and name HB% )
3.500 1.500 1.500 peak 273 spectrum 1 weight .10000E+01 volume .17400E-02 ppm1 7.328 ppm2 1.773 CV 1
ASSI { 792}
(( segid "A " and resid 79 and name HD3 ))
(( segid "A " and resid 79 and name HG2 ))
2.500 .800 .800 peak 792 spectrum 1 weight .10000E+01 volume .72254E-02 ppm1 3.504 ppm2 1.973 CV 1
ASSI { 1424}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 30 and name H ))
3.300 1.300 1.300 peak 1424 spectrum 1 weight .10000E+01 volume .11724E-02 ppm1 6.510 ppm2 8.035 CV 1
ASSI { 1322}
(( segid "A " and resid 11 and name HG2 ))
(( segid "A " and resid 11 and name HE2 ))
2.800 1.000 1.000 peak 1322 spectrum 1 weight .10000E+01 volume .32786E-02 ppm1 .856 ppm2 2.788 CV 1
ASSI { 1023}
(( segid "A " and resid 7 and name HD2 ))
(( segid "A " and resid 7 and name HA ))
3.900 1.900 1.900 peak 1023 spectrum 1 weight .10000E+01 volume .13974E-02 ppm1 1.645 ppm2 3.838 CV 1
OR { 1023}
(( segid "A " and resid 7 and name HD3 ))
(( segid "A " and resid 7 and name HA ))
ASSI { 350}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 23 and name HB2 ))
3.200 1.300 1.300 peak 350 spectrum 1 weight .10000E+01 volume .11119E-02 ppm1 1.390 ppm2 1.968 CV 1
ASSI { 726}
(( segid "A " and resid 71 and name HG2 ))
(( segid "A " and resid 71 and name H ))
3.300 1.300 1.300 peak 726 spectrum 1 weight .10000E+01 volume .24791E-02 ppm1 2.745 ppm2 8.439 CV 1
ASSI { 1325}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 28 and name HG2 ))
2.600 .900 .900 peak 1325 spectrum 1 weight .10000E+01 volume .43904E-02 ppm1 3.990 ppm2 1.425 CV 1
ASSI { 1355}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 19 and name HA ))
2.800 .900 .900 peak 1355 spectrum 1 weight .10000E+01 volume .36447E-02 ppm1 .817 ppm2 2.999 CV 1
ASSI { 1303}
(( segid "A " and resid 64 and name HG3 ))
(( segid "A " and resid 61 and name HA ))
3.000 1.100 1.100 peak 1303 spectrum 1 weight .10000E+01 volume .17669E-02 ppm1 1.499 ppm2 4.469 CV 1
ASSI { 1351}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 63 and name H ))
2.300 .700 .700 peak 1351 spectrum 1 weight .10000E+01 volume .70107E-02 ppm1 1.782 ppm2 7.993 CV 1
ASSI { 799}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 42 and name HE2 ))
2.200 .600 .600 peak 799 spectrum 1 weight .10000E+01 volume .11633E-01 ppm1 1.494 ppm2 2.998 CV 1
OR { 799}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 42 and name HE3 ))
ASSI { 774}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 62 and name HA ))
2.600 .900 .900 peak 774 spectrum 1 weight .10000E+01 volume .38866E-02 ppm1 1.538 ppm2 3.783 CV 1
ASSI { 281}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 51 and name HB2 ))
2.500 .800 .800 peak 281 spectrum 1 weight .10000E+01 volume .51193E-02 ppm1 2.533 ppm2 1.815 CV 1
OR { 281}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 51 and name HB2 ))
OR { 281}
(( segid "A " and resid 51 and name HG2 ))
( segid "A " and resid 51 and name HE% )
ASSI { 369}
( segid "A " and resid 53 and name HB% )
(( segid "A " and resid 54 and name H ))
3.800 1.800 1.800 peak 369 spectrum 1 weight .10000E+01 volume .61810E-03 ppm1 1.426 ppm2 8.272 CV 1
ASSI { 940}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 51 and name HB2 ))
2.900 1.000 1.000 peak 940 spectrum 1 weight .10000E+01 volume .15721E-02 ppm1 4.350 ppm2 1.828 CV 1
OR { 940}
(( segid "A " and resid 48 and name HA ))
( segid "A " and resid 51 and name HE% )
ASSI { 508}
(( segid "A " and resid 63 and name HA ))
(( segid "A " and resid 66 and name HB3 ))
3.400 1.400 1.400 peak 508 spectrum 1 weight .10000E+01 volume .91708E-03 ppm1 4.397 ppm2 3.125 CV 1
OR { 508}
(( segid "A " and resid 63 and name HA ))
(( segid "A " and resid 66 and name HB2 ))
ASSI { 1571}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name HB2 ))
3.200 1.300 1.300 peak 1571 spectrum 1 weight .10000E+01 volume .87338E-03 ppm1 4.144 ppm2 3.381 CV 1
ASSI { 77}
(( segid "A " and resid 48 and name HE3 ))
(( segid "A " and resid 48 and name HZ3 ))
3.200 1.200 1.200 peak 77 spectrum 1 weight .10000E+01 volume .10178E-02 ppm1 6.118 ppm2 6.415 CV 1
ASSI { 1283}
(( segid "A " and resid 79 and name HD3 ))
( segid "A " and resid 78 and name HG2%)
3.400 1.400 1.400 peak 1283 spectrum 1 weight .10000E+01 volume .31442E-02 ppm1 3.500 ppm2 .798 CV 1
ASSI { 991}
(( segid "A " and resid 11 and name HG2 ))
(( segid "A " and resid 11 and name HA ))
2.900 1.100 1.100 peak 991 spectrum 1 weight .10000E+01 volume .21599E-02 ppm1 .861 ppm2 4.047 CV 1
ASSI { 670}
(( segid "A " and resid 59 and name HA ))
( segid "A " and resid 59 and name HD% )
3.000 1.100 1.100 peak 670 spectrum 1 weight .10000E+01 volume .17132E-02 ppm1 4.454 ppm2 7.604 CV 1
ASSI { 699}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 6 and name HG2 ))
3.600 1.600 1.600 peak 699 spectrum 1 weight .10000E+01 volume .13571E-02 ppm1 4.466 ppm2 1.437 CV 1
OR { 699}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 6 and name HG3 ))
ASSI { 1310}
(( segid "A " and resid 7 and name HG3 ))
( segid "A " and resid 77 and name HD% )
4.200 2.200 1.800 peak 1310 spectrum 1 weight .10000E+01 volume .60803E-03 ppm1 1.061 ppm2 7.056 CV 1
ASSI { 894}
(( segid "A " and resid 11 and name HE2 ))
( segid "A " and resid 70 and name HE% )
4.100 2.100 1.900 peak 894 spectrum 1 weight .10000E+01 volume .57776E-03 ppm1 2.793 ppm2 6.791 CV 1
ASSI { 46}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 80 and name HD2 ))
2.400 .700 .700 peak 46 spectrum 1 weight .10000E+01 volume .88915E-02 ppm1 4.404 ppm2 3.636 CV 1
ASSI { 67}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 58 and name HE2 ))
2.500 .800 .800 peak 67 spectrum 1 weight .10000E+01 volume .75347E-02 ppm1 1.916 ppm2 2.785 CV 1
ASSI { 1108}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 70 and name HA ))
3.100 1.200 1.200 peak 1108 spectrum 1 weight .10000E+01 volume .19483E-02 ppm1 7.211 ppm2 3.992 CV 1
ASSI { 171}
(( segid "A " and resid 72 and name HD2 ))
(( segid "A " and resid 72 and name H ))
3.900 1.900 1.900 peak 171 spectrum 1 weight .10000E+01 volume .97416E-03 ppm1 3.270 ppm2 7.999 CV 1
OR { 171}
(( segid "A " and resid 72 and name HD3 ))
(( segid "A " and resid 72 and name H ))
ASSI { 375}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 55 and name HG3 ))
2.500 .800 .800 peak 375 spectrum 1 weight .10000E+01 volume .49550E-02 ppm1 2.212 ppm2 2.359 CV 1
OR { 375}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 55 and name HG2 ))
ASSI { 473}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HB2 ))
2.700 .900 .900 peak 473 spectrum 1 weight .10000E+01 volume .22742E-02 ppm1 4.227 ppm2 3.191 CV 1
ASSI { 448}
(( segid "A " and resid 8 and name HG2 ))
(( segid "A " and resid 7 and name HA ))
4.800 2.900 1.200 peak 448 spectrum 1 weight .10000E+01 volume .70880E-03 ppm1 1.632 ppm2 3.840 CV 1
ASSI { 284}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 21 and name HB ))
3.000 1.100 1.100 peak 284 spectrum 1 weight .10000E+01 volume .14713E-02 ppm1 4.130 ppm2 4.525 CV 1
ASSI { 378}
( segid "A " and resid 19 and name HG2%)
( segid "A " and resid 15 and name HD% )
3.700 1.700 1.700 peak 378 spectrum 1 weight .10000E+01 volume .73902E-03 ppm1 .281 ppm2 5.809 CV 1
ASSI { 83}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 79 and name HD3 ))
3.200 1.300 1.300 peak 83 spectrum 1 weight .10000E+01 volume .11824E-02 ppm1 7.087 ppm2 3.542 CV 1
OR { 83}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 79 and name HD2 ))
ASSI { 189}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name H ))
3.300 1.300 1.300 peak 189 spectrum 1 weight .10000E+01 volume .24085E-02 ppm1 1.669 ppm2 7.907 CV 1
ASSI { 755}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 30 and name H ))
4.400 2.400 1.600 peak 755 spectrum 1 weight .10000E+01 volume .12160E-02 ppm1 1.316 ppm2 8.041 CV 1
ASSI { 460}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 17 and name HZ ))
3.900 1.900 1.900 peak 460 spectrum 1 weight .10000E+01 volume .87338E-03 ppm1 1.782 ppm2 7.098 CV 1
ASSI { 182}
(( segid "A " and resid 12 and name HB2 ))
( segid "A " and resid 17 and name HE% )
3.300 1.300 1.300 peak 182 spectrum 1 weight .10000E+01 volume .11152E-02 ppm1 1.566 ppm2 7.324 CV 1
ASSI { 1089}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name H ))
3.700 1.700 1.700 peak 1089 spectrum 1 weight .10000E+01 volume .15923E-02 ppm1 1.705 ppm2 7.680 CV 1
OR { 1089}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name H ))
ASSI { 1633}
(( segid "A " and resid 75 and name HD3 ))
(( segid "A " and resid 75 and name HA ))
2.400 .700 .700 peak 1633 spectrum 1 weight .10000E+01 volume .55059E-02 ppm1 1.733 ppm2 4.158 CV 1
ASSI { 34}
(( segid "A " and resid 74 and name HA ))
( segid "A " and resid 74 and name HE% )
2.600 .800 .800 peak 34 spectrum 1 weight .10000E+01 volume .43569E-02 ppm1 4.438 ppm2 1.989 CV 1
ASSI { 155}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 58 and name HE2 ))
3.500 1.600 1.600 peak 155 spectrum 1 weight .10000E+01 volume .11219E-02 ppm1 1.549 ppm2 2.801 CV 1
ASSI { 782}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name H ))
3.600 1.600 1.600 peak 782 spectrum 1 weight .10000E+01 volume .80282E-03 ppm1 .493 ppm2 7.375 CV 1
ASSI { 1127}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 77 and name H ))
3.100 1.200 1.200 peak 1127 spectrum 1 weight .10000E+01 volume .52404E-03 ppm1 .797 ppm2 7.493 CV 1
ASSI { 1111}
(( segid "A " and resid 11 and name HG2 ))
(( segid "A " and resid 11 and name HE3 ))
3.100 1.200 1.200 peak 1111 spectrum 1 weight .10000E+01 volume .11321E-02 ppm1 .855 ppm2 2.554 CV 1
ASSI { 340}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 51 and name HG2 ))
4.000 2.000 2.000 peak 340 spectrum 1 weight .10000E+01 volume .79275E-03 ppm1 4.354 ppm2 2.536 CV 1
OR { 340}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 51 and name HG3 ))
ASSI { 895}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 80 and name HB3 ))
2.200 .600 .600 peak 895 spectrum 1 weight .10000E+01 volume .73028E-02 ppm1 4.400 ppm2 1.891 CV 1
ASSI { 1420}
(( segid "A " and resid 71 and name HG2 ))
(( segid "A " and resid 71 and name HB2 ))
3.000 1.100 1.100 peak 1420 spectrum 1 weight .10000E+01 volume .31677E-02 ppm1 2.747 ppm2 2.073 CV 1
ASSI { 731}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 11 and name HG2 ))
2.000 .500 .500 peak 731 spectrum 1 weight .10000E+01 volume .37791E-02 ppm1 1.182 ppm2 .854 CV 1
ASSI { 607}
(( segid "A " and resid 71 and name HG2 ))
( segid "A " and resid 70 and name HD% )
3.300 1.300 1.300 peak 607 spectrum 1 weight .10000E+01 volume .11253E-02 ppm1 2.738 ppm2 7.203 CV 1
ASSI { 815}
(( segid "A " and resid 43 and name HG3 ))
(( segid "A " and resid 43 and name H ))
3.000 1.100 1.100 peak 815 spectrum 1 weight .10000E+01 volume .22305E-02 ppm1 1.517 ppm2 7.784 CV 1
ASSI { 580}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 29 and name HB3 ))
3.300 1.400 1.400 peak 580 spectrum 1 weight .10000E+01 volume .15519E-02 ppm1 6.511 ppm2 1.526 CV 1
ASSI { 575}
(( segid "A " and resid 57 and name HA2 ))
(( segid "A " and resid 57 and name HA3 ))
2.400 .700 .700 peak 575 spectrum 1 weight .10000E+01 volume .19651E-02 ppm1 3.865 ppm2 4.034 CV 1
ASSI { 312}
(( segid "A " and resid 79 and name HD3 ))
(( segid "A " and resid 78 and name HA ))
1.900 .500 .500 peak 312 spectrum 1 weight .10000E+01 volume .72661E-02 ppm1 3.500 ppm2 4.279 CV 1
ASSI { 704}
(( segid "A " and resid 52 and name HA ))
( segid "A " and resid 53 and name HB% )
4.300 2.300 1.700 peak 704 spectrum 1 weight .10000E+01 volume .11791E-02 ppm1 4.357 ppm2 1.425 CV 1
ASSI { 1449}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 48 and name HA ))
2.900 1.000 1.000 peak 1449 spectrum 1 weight .10000E+01 volume .24724E-02 ppm1 1.811 ppm2 4.354 CV 1
ASSI { 712}
(( segid "A " and resid 23 and name HG3 ))
(( segid "A " and resid 23 and name HB3 ))
3.200 1.300 1.300 peak 712 spectrum 1 weight .10000E+01 volume .10783E-02 ppm1 1.298 ppm2 1.751 CV 1
ASSI { 360}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 55 and name HG3 ))
2.200 .600 .600 peak 360 spectrum 1 weight .10000E+01 volume .70810E-02 ppm1 2.129 ppm2 2.359 CV 1
OR { 360}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 55 and name HG2 ))
ASSI { 232}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 22 and name HB3 ))
2.400 .700 .700 peak 232 spectrum 1 weight .10000E+01 volume .18744E-02 ppm1 2.484 ppm2 2.956 CV 1
ASSI { 1212}
(( segid "A " and resid 54 and name HE2 ))
(( segid "A " and resid 54 and name H ))
3.600 1.700 1.700 peak 1212 spectrum 1 weight .10000E+01 volume .80622E-03 ppm1 2.961 ppm2 8.224 CV 1
OR { 1212}
(( segid "A " and resid 54 and name HE3 ))
(( segid "A " and resid 54 and name H ))
ASSI { 84}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 56 and name HG2 ))
2.600 .800 .800 peak 84 spectrum 1 weight .10000E+01 volume .23178E-02 ppm1 1.812 ppm2 .960 CV 1
ASSI { 32}
(( segid "A " and resid 72 and name HG3 ))
(( segid "A " and resid 72 and name H ))
3.200 1.300 1.300 peak 32 spectrum 1 weight .10000E+01 volume .12429E-02 ppm1 1.631 ppm2 8.007 CV 1
ASSI { 494}
(( segid "A " and resid 56 and name HD3 ))
( segid "A " and resid 53 and name HB% )
2.500 2.500 3.500 peak 494 spectrum 1 weight .10000E+01 volume .16662E-02 ppm1 .811 ppm2 1.485 CV 1
ASSI { 110}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 24 and name HG3 ))
2.700 .900 .900 peak 110 spectrum 1 weight .10000E+01 volume .53376E-02 ppm1 2.240 ppm2 2.493 CV 1
ASSI { 1478}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 22 and name H ))
2.900 1.100 1.100 peak 1478 spectrum 1 weight .10000E+01 volume .14915E-02 ppm1 1.549 ppm2 8.352 CV 1
ASSI { 374}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 78 and name H ))
2.800 1.000 1.000 peak 374 spectrum 1 weight .10000E+01 volume .33928E-02 ppm1 7.085 ppm2 7.798 CV 1
ASSI { 1195}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 23 and name HA ))
3.900 1.900 1.900 peak 1195 spectrum 1 weight .10000E+01 volume .84988E-03 ppm1 2.728 ppm2 3.754 CV 1
ASSI { 1467}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 19 and name HA ))
3.300 1.400 1.400 peak 1467 spectrum 1 weight .10000E+01 volume .84316E-03 ppm1 1.769 ppm2 2.974 CV 1
ASSI { 121}
(( segid "A " and resid 8 and name HG3 ))
( segid "A " and resid 77 and name HD% )
4.100 2.100 1.900 peak 121 spectrum 1 weight .10000E+01 volume .55090E-03 ppm1 1.558 ppm2 7.046 CV 1
ASSI { 1439}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 22 and name HB2 ))
3.100 1.200 1.200 peak 1439 spectrum 1 weight .10000E+01 volume .28956E-02 ppm1 1.550 ppm2 2.493 CV 1
ASSI { 919}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 61 and name H ))
2.700 .900 .900 peak 919 spectrum 1 weight .10000E+01 volume .35775E-02 ppm1 4.464 ppm2 8.603 CV 1
ASSI { 1051}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 30 and name HB2 ))
2.600 .800 .800 peak 1051 spectrum 1 weight .10000E+01 volume .44442E-02 ppm1 1.421 ppm2 2.605 CV 1
ASSI { 1546}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HD2 ))
2.800 1.000 1.000 peak 1546 spectrum 1 weight .10000E+01 volume .28956E-02 ppm1 3.851 ppm2 3.311 CV 1
ASSI { 841}
(( segid "A " and resid 23 and name HD2 ))
(( segid "A " and resid 23 and name HB3 ))
3.500 1.500 1.500 peak 841 spectrum 1 weight .10000E+01 volume .68190E-03 ppm1 2.648 ppm2 1.742 CV 1
ASSI { 554}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 83 and name HB3 ))
2.600 .900 .900 peak 554 spectrum 1 weight .10000E+01 volume .44610E-02 ppm1 4.161 ppm2 1.880 CV 1
OR { 554}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 1563}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name H ))
4.000 2.000 2.000 peak 1563 spectrum 1 weight .10000E+01 volume .78268E-03 ppm1 1.752 ppm2 8.123 CV 1
ASSI { 615}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 25 and name HG3 ))
2.400 .700 .700 peak 615 spectrum 1 weight .10000E+01 volume .94191E-02 ppm1 2.139 ppm2 2.468 CV 1
ASSI { 1183}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HG3 ))
2.300 .700 .700 peak 1183 spectrum 1 weight .10000E+01 volume .11975E-01 ppm1 1.589 ppm2 1.104 CV 1
ASSI { 1071}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 4 and name HB3 ))
4.000 2.000 2.000 peak 1071 spectrum 1 weight .10000E+01 volume .13437E-02 ppm1 3.945 ppm2 2.795 CV 1
ASSI { 1560}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name HB3 ))
3.800 1.800 1.800 peak 1560 spectrum 1 weight .10000E+01 volume .20021E-02 ppm1 1.924 ppm2 1.732 CV 1
ASSI { 1557}
(( segid "A " and resid 69 and name HG2 ))
(( segid "A " and resid 69 and name H ))
3.700 1.800 1.800 peak 1557 spectrum 1 weight .10000E+01 volume .10548E-02 ppm1 1.406 ppm2 8.004 CV 1
ASSI { 1595}
( segid "A " and resid 17 and name HE% )
(( segid "A " and resid 63 and name HA ))
2.900 1.000 1.000 peak 1595 spectrum 1 weight .10000E+01 volume .24556E-02 ppm1 7.324 ppm2 4.383 CV 1
ASSI { 957}
(( segid "A " and resid 5 and name HD2 ))
(( segid "A " and resid 6 and name H ))
3.300 1.300 1.300 peak 957 spectrum 1 weight .10000E+01 volume .62817E-03 ppm1 3.846 ppm2 8.349 CV 1
ASSI { 1027}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 68 and name H ))
2.200 .600 .600 peak 1027 spectrum 1 weight .10000E+01 volume .11176E-01 ppm1 1.575 ppm2 7.477 CV 1
ASSI { 917}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 7 and name HG2 ))
3.300 1.300 1.300 peak 917 spectrum 1 weight .10000E+01 volume .77260E-03 ppm1 6.734 ppm2 1.349 CV 1
ASSI { 338}
(( segid "A " and resid 17 and name HZ ))
(( segid "A " and resid 66 and name HB3 ))
3.200 1.300 1.300 peak 338 spectrum 1 weight .10000E+01 volume .14276E-02 ppm1 7.106 ppm2 3.120 CV 1
OR { 338}
(( segid "A " and resid 17 and name HZ ))
(( segid "A " and resid 66 and name HB2 ))
ASSI { 1123}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 23 and name HA ))
4.200 2.200 1.800 peak 1123 spectrum 1 weight .10000E+01 volume .54418E-03 ppm1 3.181 ppm2 3.746 CV 1
ASSI { 1526}
(( segid "A " and resid 14 and name HB2 ))
(( segid "A " and resid 14 and name HA ))
3.200 1.300 1.300 peak 1526 spectrum 1 weight .10000E+01 volume .11791E-02 ppm1 4.120 ppm2 4.382 CV 1
ASSI { 47}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 16 and name HA ))
3.400 1.500 1.500 peak 47 spectrum 1 weight .10000E+01 volume .10649E-02 ppm1 .818 ppm2 3.626 CV 1
ASSI { 277}
(( segid "A " and resid 48 and name HE3 ))
( segid "A " and resid 51 and name HE% )
3.200 1.300 1.300 peak 277 spectrum 1 weight .10000E+01 volume .10447E-02 ppm1 6.117 ppm2 1.812 CV 1
ASSI { 300}
(( segid "A " and resid 80 and name HD2 ))
( segid "A " and resid 77 and name HE% )
4.300 2.300 1.700 peak 300 spectrum 1 weight .10000E+01 volume .67182E-03 ppm1 3.635 ppm2 6.737 CV 1
ASSI { 539}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 49 and name H ))
2.800 1.000 1.000 peak 539 spectrum 1 weight .10000E+01 volume .15183E-02 ppm1 1.531 ppm2 7.683 CV 1
ASSI { 492}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 19 and name HA ))
2.600 .800 .800 peak 492 spectrum 1 weight .10000E+01 volume .40075E-02 ppm1 .288 ppm2 3.012 CV 1
ASSI { 843}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 32 and name H ))
3.100 1.200 1.200 peak 843 spectrum 1 weight .10000E+01 volume .20860E-02 ppm1 2.762 ppm2 8.530 CV 1
ASSI { 1081}
(( segid "A " and resid 35 and name HB ))
( segid "A " and resid 40 and name HD% )
3.800 1.800 1.800 peak 1081 spectrum 1 weight .10000E+01 volume .65168E-03 ppm1 1.662 ppm2 6.875 CV 1
OR { 1081}
(( segid "A " and resid 35 and name HB ))
( segid "A " and resid 40 and name HE% )
ASSI { 292}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HB3 ))
2.600 .800 .800 peak 292 spectrum 1 weight .10000E+01 volume .29762E-02 ppm1 4.223 ppm2 1.528 CV 1
OR { 292}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HG3 ))
ASSI { 204}
(( segid "A " and resid 77 and name HB3 ))
( segid "A " and resid 74 and name HE% )
3.500 1.500 1.500 peak 204 spectrum 1 weight .10000E+01 volume .15755E-02 ppm1 2.933 ppm2 2.026 CV 1
ASSI { 134}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 66 and name H ))
3.500 1.600 1.600 peak 134 spectrum 1 weight .10000E+01 volume .11219E-02 ppm1 1.784 ppm2 8.378 CV 1
ASSI { 1580}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 23 and name HD2 ))
2.900 1.100 1.100 peak 1580 spectrum 1 weight .10000E+01 volume .16124E-02 ppm1 1.386 ppm2 2.699 CV 1
OR { 1580}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 23 and name HD3 ))
ASSI { 291}
( segid "A " and resid 70 and name HE% )
(( segid "A " and resid 10 and name HA2 ))
3.100 1.200 1.200 peak 291 spectrum 1 weight .10000E+01 volume .13739E-02 ppm1 6.807 ppm2 3.908 CV 1
ASSI { 928}
(( segid "A " and resid 79 and name HD2 ))
(( segid "A " and resid 79 and name HB2 ))
3.500 1.500 1.500 peak 928 spectrum 1 weight .10000E+01 volume .12698E-02 ppm1 3.570 ppm2 2.339 CV 1
ASSI { 1586}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name H ))
2.500 .800 .800 peak 1586 spectrum 1 weight .10000E+01 volume .23615E-02 ppm1 1.292 ppm2 7.450 CV 1
ASSI { 1105}
(( segid "A " and resid 11 and name HA ))
( segid "A " and resid 70 and name HD% )
3.800 1.800 1.800 peak 1105 spectrum 1 weight .10000E+01 volume .68861E-03 ppm1 4.069 ppm2 7.192 CV 1
ASSI { 70}
(( segid "A " and resid 7 and name HD3 ))
( segid "A " and resid 77 and name HE% )
3.800 1.800 1.800 peak 70 spectrum 1 weight .10000E+01 volume .12966E-02 ppm1 1.643 ppm2 6.736 CV 1
OR { 70}
(( segid "A " and resid 7 and name HD2 ))
( segid "A " and resid 77 and name HE% )
ASSI { 943}
(( segid "A " and resid 71 and name HG3 ))
(( segid "A " and resid 71 and name HB2 ))
2.400 .700 .700 peak 943 spectrum 1 weight .10000E+01 volume .41150E-02 ppm1 2.410 ppm2 2.054 CV 1
ASSI { 676}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 61 and name H ))
3.100 1.200 1.200 peak 676 spectrum 1 weight .10000E+01 volume .93051E-03 ppm1 2.227 ppm2 8.605 CV 1
ASSI { 1204}
(( segid "A " and resid 48 and name HZ2 ))
(( segid "A " and resid 56 and name HD3 ))
3.400 1.500 1.500 peak 1204 spectrum 1 weight .10000E+01 volume .89017E-03 ppm1 7.582 ppm2 .826 CV 1
OR { 1204}
(( segid "A " and resid 48 and name HZ2 ))
(( segid "A " and resid 56 and name HD2 ))
ASSI { 1501}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 17 and name HB2 ))
2.500 .800 .800 peak 1501 spectrum 1 weight .10000E+01 volume .11690E-02 ppm1 3.649 ppm2 3.399 CV 1
ASSI { 593}
(( segid "A " and resid 40 and name HA ))
( segid "A " and resid 40 and name HD% )
2.800 1.000 1.000 peak 593 spectrum 1 weight .10000E+01 volume .32550E-02 ppm1 4.033 ppm2 6.913 CV 1
ASSI { 620}
(( segid "A " and resid 78 and name HG12))
(( segid "A " and resid 78 and name HB ))
2.400 .700 .700 peak 620 spectrum 1 weight .10000E+01 volume .75210E-02 ppm1 1.437 ppm2 1.654 CV 1
ASSI { 795}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HA ))
2.500 .800 .800 peak 795 spectrum 1 weight .10000E+01 volume .50857E-02 ppm1 1.775 ppm2 4.132 CV 1
OR { 795}
(( segid "A " and resid 9 and name HB3 ))
(( segid "A " and resid 9 and name HA ))
ASSI { 1101}
(( segid "A " and resid 67 and name HE3 ))
(( segid "A " and resid 67 and name HG3 ))
2.600 .900 .900 peak 1101 spectrum 1 weight .10000E+01 volume .48542E-02 ppm1 3.093 ppm2 1.495 CV 1
OR { 1101}
(( segid "A " and resid 67 and name HE2 ))
(( segid "A " and resid 67 and name HG3 ))
OR { 1101}
(( segid "A " and resid 67 and name HE2 ))
(( segid "A " and resid 67 and name HG2 ))
OR { 1101}
(( segid "A " and resid 67 and name HE3 ))
(( segid "A " and resid 67 and name HG2 ))
ASSI { 1456}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name HG2 ))
3.300 1.400 1.400 peak 1456 spectrum 1 weight .10000E+01 volume .10145E-02 ppm1 1.907 ppm2 1.003 CV 1
ASSI { 1185}
(( segid "A " and resid 79 and name HD2 ))
(( segid "A " and resid 78 and name H ))
4.900 3.000 1.100 peak 1185 spectrum 1 weight .10000E+01 volume .46355E-03 ppm1 3.572 ppm2 7.799 CV 1
ASSI { 1435}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 26 and name HA ))
3.700 1.700 1.700 peak 1435 spectrum 1 weight .10000E+01 volume .58448E-03 ppm1 1.090 ppm2 4.223 CV 1
ASSI { 316}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 73 and name HG3 ))
2.900 1.100 1.100 peak 316 spectrum 1 weight .10000E+01 volume .21834E-02 ppm1 4.020 ppm2 2.642 CV 1
ASSI { 1302}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 62 and name HB3 ))
3.000 1.100 1.100 peak 1302 spectrum 1 weight .10000E+01 volume .23010E-02 ppm1 1.913 ppm2 .499 CV 1
ASSI { 1548}
(( segid "A " and resid 34 and name HB2 ))
( segid "A " and resid 35 and name HG1%)
4.400 2.500 1.600 peak 1548 spectrum 1 weight .10000E+01 volume .96408E-03 ppm1 3.817 ppm2 .543 CV 1
OR { 1548}
(( segid "A " and resid 34 and name HB3 ))
( segid "A " and resid 35 and name HG1%)
ASSI { 1304}
(( segid "A " and resid 11 and name HE2 ))
(( segid "A " and resid 11 and name HG3 ))
3.600 1.600 1.600 peak 1304 spectrum 1 weight .10000E+01 volume .13504E-02 ppm1 2.786 ppm2 1.158 CV 1
ASSI { 794}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 30 and name HA ))
2.500 2.500 3.500 peak 794 spectrum 1 weight .10000E+01 volume .15956E-02 ppm1 1.422 ppm2 4.995 CV 1
ASSI { 243}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 16 and name H ))
4.100 2.100 1.900 peak 243 spectrum 1 weight .10000E+01 volume .85995E-03 ppm1 1.186 ppm2 7.905 CV 1
ASSI { 74}
(( segid "A " and resid 72 and name HG3 ))
(( segid "A " and resid 72 and name HG2 ))
1.600 .300 .600 peak 74 spectrum 1 weight .10000E+01 volume .17548E-01 ppm1 1.635 ppm2 1.760 CV 1
ASSI { 730}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HE3 ))
3.000 1.100 1.100 peak 730 spectrum 1 weight .10000E+01 volume .15385E-02 ppm1 4.343 ppm2 6.113 CV 1
ASSI { 660}
(( segid "A " and resid 18 and name HB2 ))
(( segid "A " and resid 18 and name HB3 ))
2.600 .900 .900 peak 660 spectrum 1 weight .10000E+01 volume .76253E-03 ppm1 2.103 ppm2 2.593 CV 1
ASSI { 1627}
(( segid "A " and resid 48 and name HB2 ))
(( segid "A " and resid 48 and name H ))
3.500 1.600 1.600 peak 1627 spectrum 1 weight .10000E+01 volume .64160E-03 ppm1 3.389 ppm2 8.720 CV 1
ASSI { 1176}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name HD2 ))
4.000 2.000 2.000 peak 1176 spectrum 1 weight .10000E+01 volume .99095E-03 ppm1 4.116 ppm2 3.267 CV 1
OR { 1176}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name HD3 ))
ASSI { 1096}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 29 and name HD3 ))
3.800 1.800 1.800 peak 1096 spectrum 1 weight .10000E+01 volume .16863E-02 ppm1 4.223 ppm2 1.552 CV 1
OR { 1096}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 1609}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HB2 ))
3.200 1.300 1.300 peak 1609 spectrum 1 weight .10000E+01 volume .19483E-02 ppm1 4.991 ppm2 2.606 CV 1
ASSI { 173}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name HB2 ))
2.700 .900 .900 peak 173 spectrum 1 weight .10000E+01 volume .14848E-02 ppm1 2.783 ppm2 2.047 CV 1
OR { 173}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name HB3 ))
ASSI { 1128}
(( segid "A " and resid 47 and name HD3 ))
(( segid "A " and resid 47 and name HG3 ))
2.400 .700 .700 peak 1128 spectrum 1 weight .10000E+01 volume .49550E-02 ppm1 3.356 ppm2 1.899 CV 1
OR { 1128}
(( segid "A " and resid 47 and name HD3 ))
(( segid "A " and resid 47 and name HG2 ))
ASSI { 505}
(( segid "A " and resid 13 and name HB3 ))
(( segid "A " and resid 14 and name H ))
3.300 1.400 1.400 peak 505 spectrum 1 weight .10000E+01 volume .10111E-02 ppm1 4.491 ppm2 9.295 CV 1
ASSI { 1035}
(( segid "A " and resid 78 and name HB ))
(( segid "A " and resid 79 and name HD2 ))
4.100 2.100 1.900 peak 1035 spectrum 1 weight .10000E+01 volume .13873E-02 ppm1 1.657 ppm2 3.546 CV 1
OR { 1035}
(( segid "A " and resid 78 and name HB ))
(( segid "A " and resid 79 and name HD3 ))
ASSI { 148}
(( segid "A " and resid 73 and name HG3 ))
(( segid "A " and resid 73 and name HG2 ))
2.200 .600 .600 peak 148 spectrum 1 weight .10000E+01 volume .37690E-02 ppm1 2.644 ppm2 2.173 CV 1
ASSI { 901}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name HB3 ))
3.800 1.800 1.800 peak 901 spectrum 1 weight .10000E+01 volume .76253E-03 ppm1 3.740 ppm2 2.606 CV 1
ASSI { 657}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 81 and name H ))
2.200 .600 .600 peak 657 spectrum 1 weight .10000E+01 volume .93824E-02 ppm1 4.403 ppm2 8.404 CV 1
ASSI { 1559}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 58 and name HD2 ))
2.100 2.100 3.900 peak 1559 spectrum 1 weight .10000E+01 volume .58081E-02 ppm1 1.917 ppm2 1.466 CV 1
OR { 1559}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 58 and name HD3 ))
ASSI { 916}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 5 and name HD2 ))
3.700 1.800 1.800 peak 916 spectrum 1 weight .10000E+01 volume .14915E-02 ppm1 2.619 ppm2 3.905 CV 1
OR { 916}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 5 and name HD3 ))
ASSI { 1572}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 48 and name HB3 ))
3.300 1.400 1.400 peak 1572 spectrum 1 weight .10000E+01 volume .11052E-02 ppm1 6.353 ppm2 3.361 CV 1
OR { 1572}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 48 and name HB2 ))
ASSI { 1233}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name H ))
2.800 1.000 1.000 peak 1233 spectrum 1 weight .10000E+01 volume .20525E-02 ppm1 4.527 ppm2 7.488 CV 1
ASSI { 1210}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 15 and name HA ))
3.000 1.200 1.200 peak 1210 spectrum 1 weight .10000E+01 volume .15351E-02 ppm1 5.811 ppm2 2.880 CV 1
ASSI { 468}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 23 and name HD3 ))
3.800 1.800 1.800 peak 468 spectrum 1 weight .10000E+01 volume .54083E-03 ppm1 .826 ppm2 2.685 CV 1
OR { 468}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 23 and name HD2 ))
ASSI { 662}
(( segid "A " and resid 6 and name HB2 ))
( segid "A " and resid 77 and name HD% )
3.700 1.700 1.700 peak 662 spectrum 1 weight .10000E+01 volume .63489E-03 ppm1 1.859 ppm2 7.104 CV 1
ASSI { 564}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 56 and name HA ))
2.500 .800 .800 peak 564 spectrum 1 weight .10000E+01 volume .58417E-02 ppm1 1.812 ppm2 4.136 CV 1
ASSI { 1398}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 23 and name HA ))
3.500 1.500 1.500 peak 1398 spectrum 1 weight .10000E+01 volume .77260E-03 ppm1 1.385 ppm2 3.780 CV 1
ASSI { 1030}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
2.700 .900 .900 peak 1030 spectrum 1 weight .10000E+01 volume .33760E-02 ppm1 4.073 ppm2 1.543 CV 1
OR { 1030}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HB3 ))
ASSI { 394}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 40 and name H ))
2.700 .900 .900 peak 394 spectrum 1 weight .10000E+01 volume .12966E-02 ppm1 2.065 ppm2 8.557 CV 1
ASSI { 722}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 4 and name HB2 ))
4.500 2.600 1.500 peak 722 spectrum 1 weight .10000E+01 volume .80958E-03 ppm1 3.939 ppm2 2.609 CV 1
ASSI { 1045}
( segid "A " and resid 33 and name HB% )
( segid "A " and resid 35 and name HG1%)
3.000 1.200 1.200 peak 1045 spectrum 1 weight .10000E+01 volume .26000E-02 ppm1 1.421 ppm2 .542 CV 1
ASSI { 946}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HE2 ))
4.000 2.000 2.000 peak 946 spectrum 1 weight .10000E+01 volume .10682E-02 ppm1 1.300 ppm2 2.934 CV 1
OR { 946}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HE3 ))
ASSI { 96}
( segid "A " and resid 74 and name HE% )
( segid "A " and resid 77 and name HD% )
2.400 .700 .700 peak 96 spectrum 1 weight .10000E+01 volume .67284E-02 ppm1 2.020 ppm2 7.088 CV 1
ASSI { 493}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HE2 ))
3.500 1.500 1.500 peak 493 spectrum 1 weight .10000E+01 volume .16292E-02 ppm1 1.644 ppm2 2.794 CV 1
ASSI { 809}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 72 and name HG2 ))
2.500 .800 .800 peak 809 spectrum 1 weight .10000E+01 volume .45282E-02 ppm1 2.019 ppm2 1.702 CV 1
OR { 809}
(( segid "A " and resid 72 and name HB3 ))
(( segid "A " and resid 72 and name HG2 ))
ASSI { 372}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 11 and name HE3 ))
3.800 1.800 1.800 peak 372 spectrum 1 weight .10000E+01 volume .85995E-03 ppm1 1.539 ppm2 2.548 CV 1
OR { 372}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 11 and name HE3 ))
ASSI { 433}
(( segid "A " and resid 47 and name HA ))
(( segid "A " and resid 47 and name H ))
2.900 1.000 1.000 peak 433 spectrum 1 weight .10000E+01 volume .22809E-02 ppm1 4.164 ppm2 7.956 CV 1
ASSI { 393}
(( segid "A " and resid 72 and name HG2 ))
(( segid "A " and resid 73 and name H ))
3.800 1.800 1.800 peak 393 spectrum 1 weight .10000E+01 volume .74574E-03 ppm1 1.745 ppm2 8.509 CV 1
ASSI { 1516}
( segid "A " and resid 15 and name HD% )
( segid "A " and resid 18 and name HE% )
4.100 2.100 1.900 peak 1516 spectrum 1 weight .10000E+01 volume .48374E-03 ppm1 5.818 ppm2 7.429 CV 1
ASSI { 1332}
(( segid "A " and resid 11 and name HG2 ))
( segid "A " and resid 70 and name HD% )
3.500 1.500 1.500 peak 1332 spectrum 1 weight .10000E+01 volume .55426E-03 ppm1 .861 ppm2 7.197 CV 1
ASSI { 756}
( segid "A " and resid 77 and name HD% )
( segid "A " and resid 77 and name HE% )
2.000 .500 .500 peak 756 spectrum 1 weight .10000E+01 volume .18066E-01 ppm1 7.085 ppm2 6.740 CV 1
ASSI { 906}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HB3 ))
2.000 .500 .500 peak 906 spectrum 1 weight .10000E+01 volume .89052E-02 ppm1 1.313 ppm2 1.576 CV 1
OR { 906}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HD3 ))
ASSI { 1129}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 26 and name HD2 ))
3.700 1.700 1.700 peak 1129 spectrum 1 weight .10000E+01 volume .93386E-03 ppm1 3.280 ppm2 6.872 CV 1
ASSI { 685}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 19 and name H ))
2.800 1.000 1.000 peak 685 spectrum 1 weight .10000E+01 volume .36514E-02 ppm1 .288 ppm2 8.543 CV 1
ASSI { 481}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HA ))
2.400 .700 .700 peak 481 spectrum 1 weight .10000E+01 volume .39705E-02 ppm1 1.519 ppm2 3.975 CV 1
ASSI { 1005}
(( segid "A " and resid 73 and name HB2 ))
(( segid "A " and resid 73 and name HA ))
2.700 .900 .900 peak 1005 spectrum 1 weight .10000E+01 volume .30165E-02 ppm1 2.070 ppm2 3.990 CV 1
ASSI { 131}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HD2 ))
4.000 2.000 2.000 peak 131 spectrum 1 weight .10000E+01 volume .65168E-03 ppm1 4.221 ppm2 3.306 CV 1
ASSI { 214}
(( segid "A " and resid 51 and name HB3 ))
(( segid "A " and resid 51 and name HB2 ))
2.200 .600 .600 peak 214 spectrum 1 weight .10000E+01 volume .23313E-02 ppm1 1.641 ppm2 1.804 CV 1
OR { 214}
(( segid "A " and resid 51 and name HB3 ))
( segid "A " and resid 51 and name HE% )
ASSI { 367}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HA ))
3.300 1.300 1.300 peak 367 spectrum 1 weight .10000E+01 volume .13907E-02 ppm1 1.557 ppm2 4.107 CV 1
ASSI { 1482}
(( segid "A " and resid 7 and name HE2 ))
(( segid "A " and resid 7 and name HG3 ))
2.500 .800 .800 peak 1482 spectrum 1 weight .10000E+01 volume .63356E-02 ppm1 2.992 ppm2 1.058 CV 1
OR { 1482}
(( segid "A " and resid 7 and name HE3 ))
(( segid "A " and resid 7 and name HG3 ))
ASSI { 1437}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HB2 ))
3.200 1.300 1.300 peak 1437 spectrum 1 weight .10000E+01 volume .10917E-02 ppm1 4.205 ppm2 1.799 CV 1
OR { 1437}
(( segid "A " and resid 51 and name HA ))
( segid "A " and resid 51 and name HE% )
ASSI { 1148}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 77 and name HB2 ))
4.200 2.200 1.800 peak 1148 spectrum 1 weight .10000E+01 volume .10581E-02 ppm1 6.731 ppm2 3.072 CV 1
ASSI { 1061}
(( segid "A " and resid 48 and name HB3 ))
( segid "A " and resid 15 and name HE% )
3.600 1.600 1.600 peak 1061 spectrum 1 weight .10000E+01 volume .52739E-03 ppm1 3.356 ppm2 6.373 CV 1
ASSI { 758}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HG2 ))
2.300 .600 .600 peak 758 spectrum 1 weight .10000E+01 volume .87038E-02 ppm1 3.977 ppm2 1.303 CV 1
OR { 758}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HB2 ))
ASSI { 242}
(( segid "A " and resid 23 and name HB3 ))
(( segid "A " and resid 23 and name HA ))
3.300 1.300 1.300 peak 242 spectrum 1 weight .10000E+01 volume .10649E-02 ppm1 1.744 ppm2 3.757 CV 1
ASSI { 1334}
( segid "A " and resid 37 and name HD% )
(( segid "A " and resid 37 and name HA ))
3.300 1.400 1.400 peak 1334 spectrum 1 weight .10000E+01 volume .95065E-03 ppm1 7.083 ppm2 4.045 CV 1
ASSI { 1246}
(( segid "A " and resid 78 and name HG12))
( segid "A " and resid 78 and name HD1%)
2.000 .500 .500 peak 1246 spectrum 1 weight .10000E+01 volume .16369E-01 ppm1 1.439 ppm2 .801 CV 1
OR { 1246}
(( segid "A " and resid 78 and name HG12))
( segid "A " and resid 78 and name HG2%)
ASSI { 1203}
(( segid "A " and resid 78 and name HB ))
( segid "A " and resid 78 and name HG2%)
1.900 .500 .500 peak 1203 spectrum 1 weight .10000E+01 volume .21569E-01 ppm1 1.660 ppm2 .797 CV 1
OR { 1203}
(( segid "A " and resid 78 and name HB ))
( segid "A " and resid 78 and name HD1%)
ASSI { 247}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name H ))
2.600 .800 .800 peak 247 spectrum 1 weight .10000E+01 volume .39840E-02 ppm1 3.977 ppm2 7.466 CV 1
ASSI { 745}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 55 and name H ))
3.100 1.200 1.200 peak 745 spectrum 1 weight .10000E+01 volume .11992E-02 ppm1 1.860 ppm2 7.677 CV 1
OR { 745}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 55 and name H ))
ASSI { 1628}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 32 and name HB3 ))
2.300 .700 .700 peak 1628 spectrum 1 weight .10000E+01 volume .93015E-02 ppm1 4.666 ppm2 2.730 CV 1
ASSI { 684}
(( segid "A " and resid 79 and name HD2 ))
( segid "A " and resid 77 and name HD% )
4.700 2.700 1.300 peak 684 spectrum 1 weight .10000E+01 volume .53075E-03 ppm1 3.571 ppm2 7.102 CV 1
ASSI { 324}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HE2 ))
4.300 2.400 1.700 peak 324 spectrum 1 weight .10000E+01 volume .11052E-02 ppm1 3.970 ppm2 2.939 CV 1
OR { 324}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HE3 ))
ASSI { 33}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 58 and name HB2 ))
3.000 1.100 1.100 peak 33 spectrum 1 weight .10000E+01 volume .25429E-02 ppm1 .868 ppm2 1.348 CV 1
ASSI { 1009}
(( segid "A " and resid 70 and name HB3 ))
(( segid "A " and resid 70 and name H ))
3.200 1.300 1.300 peak 1009 spectrum 1 weight .10000E+01 volume .62481E-03 ppm1 3.088 ppm2 8.593 CV 1
ASSI { 773}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 48 and name HB3 ))
4.500 2.500 1.500 peak 773 spectrum 1 weight .10000E+01 volume .71888E-03 ppm1 1.982 ppm2 3.347 CV 1
OR { 773}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 48 and name HB3 ))
OR { 773}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 48 and name HB2 ))
ASSI { 701}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 61 and name H ))
4.000 2.000 2.000 peak 701 spectrum 1 weight .10000E+01 volume .79946E-03 ppm1 2.516 ppm2 8.605 CV 1
ASSI { 655}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 8 and name HA ))
2.900 1.100 1.100 peak 655 spectrum 1 weight .10000E+01 volume .11522E-02 ppm1 1.516 ppm2 4.224 CV 1
ASSI { 1244}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 30 and name H ))
3.000 1.100 1.100 peak 1244 spectrum 1 weight .10000E+01 volume .26504E-02 ppm1 3.976 ppm2 8.039 CV 1
ASSI { 953}
(( segid "A " and resid 62 and name HG2 ))
(( segid "A " and resid 62 and name H ))
3.000 1.200 1.200 peak 953 spectrum 1 weight .10000E+01 volume .16359E-02 ppm1 2.661 ppm2 7.386 CV 1
ASSI { 904}
(( segid "A " and resid 47 and name HB3 ))
(( segid "A " and resid 48 and name H ))
3.300 1.400 1.400 peak 904 spectrum 1 weight .10000E+01 volume .58783E-03 ppm1 2.240 ppm2 8.714 CV 1
ASSI { 888}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 78 and name HA ))
3.500 1.600 1.600 peak 888 spectrum 1 weight .10000E+01 volume .10414E-02 ppm1 6.739 ppm2 4.285 CV 1
ASSI { 418}
(( segid "A " and resid 7 and name HA ))
( segid "A " and resid 77 and name HD% )
3.400 1.400 1.400 peak 418 spectrum 1 weight .10000E+01 volume .10817E-02 ppm1 3.854 ppm2 7.089 CV 1
ASSI { 289}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HG2 ))
3.000 1.100 1.100 peak 289 spectrum 1 weight .10000E+01 volume .28855E-02 ppm1 1.578 ppm2 1.341 CV 1
ASSI { 1256}
(( segid "A " and resid 14 and name HB2 ))
(( segid "A " and resid 14 and name HA ))
3.100 1.200 1.200 peak 1256 spectrum 1 weight .10000E+01 volume .13235E-02 ppm1 4.149 ppm2 4.382 CV 1
OR { 1256}
(( segid "A " and resid 14 and name HB3 ))
(( segid "A " and resid 14 and name HA ))
ASSI { 1106}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 2 and name HB2 ))
2.100 .500 .500 peak 1106 spectrum 1 weight .10000E+01 volume .16480E-01 ppm1 4.277 ppm2 1.807 CV 1
OR { 1106}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 2 and name HB3 ))
ASSI { 343}
(( segid "A " and resid 64 and name HD3 ))
(( segid "A " and resid 64 and name HE2 ))
2.100 .500 .500 peak 343 spectrum 1 weight .10000E+01 volume .14555E-01 ppm1 1.773 ppm2 3.032 CV 1
OR { 343}
(( segid "A " and resid 64 and name HD2 ))
(( segid "A " and resid 64 and name HE3 ))
OR { 343}
(( segid "A " and resid 64 and name HD2 ))
(( segid "A " and resid 64 and name HE2 ))
OR { 343}
(( segid "A " and resid 64 and name HD3 ))
(( segid "A " and resid 64 and name HE3 ))
ASSI { 1194}
(( segid "A " and resid 17 and name HB3 ))
( segid "A " and resid 17 and name HD% )
3.400 1.400 1.400 peak 1194 spectrum 1 weight .10000E+01 volume .56433E-03 ppm1 3.650 ppm2 7.603 CV 1
ASSI { 333}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 78 and name HB ))
3.900 1.900 1.900 peak 333 spectrum 1 weight .10000E+01 volume .13941E-02 ppm1 4.515 ppm2 1.676 CV 1
ASSI { 624}
(( segid "A " and resid 78 and name HG13))
(( segid "A " and resid 78 and name HA ))
2.200 2.200 3.800 peak 624 spectrum 1 weight .10000E+01 volume .37153E-02 ppm1 1.025 ppm2 4.282 CV 1
ASSI { 709}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 80 and name HD2 ))
1.600 .300 .600 peak 709 spectrum 1 weight .10000E+01 volume .19040E-01 ppm1 3.863 ppm2 3.655 CV 1
ASSI { 44}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 44 spectrum 1 weight .10000E+01 volume .82973E-03 ppm1 1.913 ppm2 3.392 CV 1
ASSI { 383}
(( segid "A " and resid 43 and name HD3 ))
(( segid "A " and resid 43 and name H ))
3.700 1.700 1.700 peak 383 spectrum 1 weight .10000E+01 volume .16057E-02 ppm1 1.620 ppm2 7.796 CV 1
ASSI { 439}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB3 ))
2.100 .500 .500 peak 439 spectrum 1 weight .10000E+01 volume .14978E-01 ppm1 4.279 ppm2 1.853 CV 1
OR { 439}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 865}
(( segid "A " and resid 60 and name HA ))
(( segid "A " and resid 60 and name HB3 ))
3.100 1.200 1.200 peak 865 spectrum 1 weight .10000E+01 volume .12530E-02 ppm1 4.437 ppm2 2.300 CV 1
OR { 865}
(( segid "A " and resid 60 and name HA ))
(( segid "A " and resid 60 and name HB2 ))
ASSI { 1112}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name H ))
2.700 .900 .900 peak 1112 spectrum 1 weight .10000E+01 volume .35977E-02 ppm1 4.280 ppm2 8.367 CV 1
ASSI { 806}
(( segid "A " and resid 26 and name HD2 ))
( segid "A " and resid 35 and name HG1%)
3.600 3.600 2.400 peak 806 spectrum 1 weight .10000E+01 volume .10850E-02 ppm1 6.881 ppm2 .536 CV 1
ASSI { 388}
(( segid "A " and resid 10 and name HA3 ))
(( segid "A " and resid 10 and name HA2 ))
2.400 .700 .700 peak 388 spectrum 1 weight .10000E+01 volume .19617E-02 ppm1 3.657 ppm2 3.873 CV 1
ASSI { 978}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 47 and name HG2 ))
2.300 .600 .600 peak 978 spectrum 1 weight .10000E+01 volume .69670E-02 ppm1 3.203 ppm2 1.898 CV 1
OR { 978}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 47 and name HG3 ))
ASSI { 974}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HB2 ))
1.900 .500 .500 peak 974 spectrum 1 weight .10000E+01 volume .16114E-01 ppm1 1.591 ppm2 1.294 CV 1
OR { 974}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HG2 ))
ASSI { 645}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name H ))
2.500 .800 .800 peak 645 spectrum 1 weight .10000E+01 volume .21700E-02 ppm1 1.095 ppm2 7.446 CV 1
ASSI { 664}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 23 and name H ))
4.000 2.000 2.000 peak 664 spectrum 1 weight .10000E+01 volume .53747E-03 ppm1 1.396 ppm2 8.889 CV 1
ASSI { 221}
(( segid "A " and resid 44 and name HB3 ))
(( segid "A " and resid 44 and name HB2 ))
2.500 .800 .800 peak 221 spectrum 1 weight .10000E+01 volume .12530E-02 ppm1 2.598 ppm2 3.068 CV 1
ASSI { 102}
(( segid "A " and resid 67 and name HE2 ))
(( segid "A " and resid 67 and name H ))
3.000 3.000 3.000 peak 102 spectrum 1 weight .10000E+01 volume .54083E-03 ppm1 3.083 ppm2 8.214 CV 1
OR { 102}
(( segid "A " and resid 67 and name HE3 ))
(( segid "A " and resid 67 and name H ))
ASSI { 553}
(( segid "A " and resid 79 and name HD2 ))
(( segid "A " and resid 78 and name HA ))
2.300 .700 .700 peak 553 spectrum 1 weight .10000E+01 volume .84449E-02 ppm1 3.576 ppm2 4.281 CV 1
ASSI { 1477}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HA ))
3.000 1.200 1.200 peak 1477 spectrum 1 weight .10000E+01 volume .15755E-02 ppm1 .828 ppm2 4.065 CV 1
ASSI { 869}
(( segid "A " and resid 41 and name HB3 ))
( segid "B " and resid 143 and name HD1%)
3.500 1.500 1.500 peak 869 spectrum 1 weight .10000E+01 volume .81630E-03 ppm1 3.678 ppm2 .825 CV 1
OR { 869}
(( segid "A " and resid 41 and name HB3 ))
( segid "B " and resid 143 and name HD2%)
ASSI { 193}
(( segid "A " and resid 79 and name HB3 ))
( segid "A " and resid 78 and name HG2%)
4.300 2.300 1.700 peak 193 spectrum 1 weight .10000E+01 volume .73902E-03 ppm1 1.875 ppm2 .802 CV 1
ASSI { 1583}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 47 and name HB3 ))
3.100 1.200 1.200 peak 1583 spectrum 1 weight .10000E+01 volume .16897E-02 ppm1 3.200 ppm2 2.180 CV 1
OR { 1583}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 47 and name HB2 ))
ASSI { 786}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 39 and name H ))
2.400 .700 .700 peak 786 spectrum 1 weight .10000E+01 volume .26974E-02 ppm1 2.327 ppm2 7.800 CV 1
ASSI { 915}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 30 and name HA ))
5.200 3.400 .800 peak 915 spectrum 1 weight .10000E+01 volume .46355E-03 ppm1 1.943 ppm2 4.998 CV 1
ASSI { 143}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 26 and name HE1 ))
4.400 2.400 1.600 peak 143 spectrum 1 weight .10000E+01 volume .59459E-03 ppm1 6.888 ppm2 7.480 CV 1
ASSI { 1164}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 61 and name HB3 ))
3.000 1.200 1.200 peak 1164 spectrum 1 weight .10000E+01 volume .23984E-02 ppm1 4.465 ppm2 2.769 CV 1
ASSI { 689}
(( segid "A " and resid 47 and name HD3 ))
(( segid "A " and resid 47 and name H ))
4.400 2.400 1.600 peak 689 spectrum 1 weight .10000E+01 volume .56769E-03 ppm1 3.371 ppm2 7.947 CV 1
ASSI { 503}
( segid "A " and resid 40 and name HE% )
( segid "B " and resid 154 and name HD% )
3.800 1.800 1.800 peak 503 spectrum 1 weight .10000E+01 volume .77260E-03 ppm1 6.897 ppm2 7.212 CV 1
OR { 503}
( segid "A " and resid 40 and name HD% )
( segid "B " and resid 154 and name HD% )
ASSI { 597}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 34 and name HA ))
3.100 1.200 1.200 peak 597 spectrum 1 weight .10000E+01 volume .53747E-03 ppm1 .350 ppm2 4.494 CV 1
ASSI { 78}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HB3 ))
3.000 1.200 1.200 peak 78 spectrum 1 weight .10000E+01 volume .26370E-02 ppm1 4.518 ppm2 2.948 CV 1
ASSI { 301}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 20 and name HE21))
3.100 1.200 1.200 peak 301 spectrum 1 weight .10000E+01 volume .12563E-02 ppm1 1.189 ppm2 6.676 CV 1
ASSI { 1032}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 59 and name HA ))
2.500 .800 .800 peak 1032 spectrum 1 weight .10000E+01 volume .29595E-02 ppm1 1.915 ppm2 4.454 CV 1
ASSI { 654}
(( segid "A " and resid 13 and name HB2 ))
(( segid "A " and resid 14 and name H ))
3.700 1.700 1.700 peak 654 spectrum 1 weight .10000E+01 volume .72559E-03 ppm1 4.085 ppm2 9.311 CV 1
ASSI { 187}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 45 and name H ))
3.000 1.100 1.100 peak 187 spectrum 1 weight .10000E+01 volume .19080E-02 ppm1 4.011 ppm2 8.391 CV 1
ASSI { 95}
(( segid "A " and resid 78 and name HG13))
(( segid "A " and resid 78 and name HB ))
2.600 .800 .800 peak 95 spectrum 1 weight .10000E+01 volume .47902E-02 ppm1 1.023 ppm2 1.655 CV 1
ASSI { 1060}
( segid "A " and resid 53 and name HB% )
(( segid "A " and resid 52 and name HA ))
4.100 2.100 1.900 peak 1060 spectrum 1 weight .10000E+01 volume .14579E-02 ppm1 1.426 ppm2 4.338 CV 1
OR { 1060}
( segid "A " and resid 53 and name HB% )
(( segid "A " and resid 52 and name HB2 ))
ASSI { 1481}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name H ))
4.500 2.600 1.500 peak 1481 spectrum 1 weight .10000E+01 volume .84988E-03 ppm1 .811 ppm2 7.854 CV 1
ASSI { 789}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 39 and name H ))
2.800 1.000 1.000 peak 789 spectrum 1 weight .10000E+01 volume .17400E-02 ppm1 2.075 ppm2 7.801 CV 1
ASSI { 322}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HB2 ))
3.700 1.700 1.700 peak 322 spectrum 1 weight .10000E+01 volume .23749E-02 ppm1 7.000 ppm2 3.030 CV 1
OR { 322}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HB3 ))
ASSI { 1371}
(( segid "A " and resid 23 and name HG3 ))
(( segid "A " and resid 23 and name HB2 ))
2.900 1.000 1.000 peak 1371 spectrum 1 weight .10000E+01 volume .13134E-02 ppm1 1.295 ppm2 1.951 CV 1
ASSI { 52}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 23 and name HG2 ))
4.300 2.300 1.700 peak 52 spectrum 1 weight .10000E+01 volume .39638E-03 ppm1 6.806 ppm2 1.370 CV 1
ASSI { 803}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 66 and name HB3 ))
3.900 1.900 1.900 peak 803 spectrum 1 weight .10000E+01 volume .11186E-02 ppm1 1.545 ppm2 3.082 CV 1
OR { 803}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 66 and name HB2 ))
ASSI { 129}
(( segid "A " and resid 20 and name HG2 ))
( segid "B " and resid 145 and name HD1%)
3.400 1.500 1.500 peak 129 spectrum 1 weight .10000E+01 volume .14108E-02 ppm1 2.283 ppm2 .829 CV 1
OR { 129}
(( segid "A " and resid 20 and name HG2 ))
( segid "B " and resid 145 and name HD2%)
OR { 129}
(( segid "A " and resid 20 and name HG3 ))
( segid "B " and resid 145 and name HD1%)
OR { 129}
(( segid "A " and resid 20 and name HG3 ))
( segid "B " and resid 145 and name HD2%)
ASSI { 1399}
( segid "A " and resid 51 and name HE% )
( segid "A " and resid 59 and name HE% )
2.400 .700 .700 peak 1399 spectrum 1 weight .10000E+01 volume .58616E-02 ppm1 1.811 ppm2 7.715 CV 1
ASSI { 1607}
(( segid "A " and resid 70 and name HA ))
(( segid "A " and resid 70 and name HB3 ))
3.200 1.300 1.300 peak 1607 spectrum 1 weight .10000E+01 volume .18106E-02 ppm1 3.976 ppm2 3.114 CV 1
ASSI { 1036}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 35 and name HB ))
2.200 .600 .600 peak 1036 spectrum 1 weight .10000E+01 volume .90965E-02 ppm1 .351 ppm2 1.660 CV 1
ASSI { 359}
(( segid "A " and resid 44 and name HB2 ))
( segid "A " and resid 19 and name HG2%)
3.300 1.400 1.400 peak 359 spectrum 1 weight .10000E+01 volume .86331E-03 ppm1 3.068 ppm2 .298 CV 1
ASSI { 63}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HD3 ))
3.700 1.700 1.700 peak 63 spectrum 1 weight .10000E+01 volume .64832E-03 ppm1 4.229 ppm2 2.936 CV 1
ASSI { 226}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HB3 ))
2.300 .700 .700 peak 226 spectrum 1 weight .10000E+01 volume .68861E-02 ppm1 3.976 ppm2 1.546 CV 1
OR { 226}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HD3 ))
ASSI { 862}
(( segid "A " and resid 64 and name HD3 ))
(( segid "A " and resid 64 and name H ))
3.200 1.300 1.300 peak 862 spectrum 1 weight .10000E+01 volume .25866E-02 ppm1 1.776 ppm2 8.593 CV 1
OR { 862}
(( segid "A " and resid 64 and name HD2 ))
(( segid "A " and resid 64 and name H ))
ASSI { 602}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 60 and name HA ))
3.100 1.200 1.200 peak 602 spectrum 1 weight .10000E+01 volume .22070E-02 ppm1 2.571 ppm2 4.435 CV 1
ASSI { 212}
(( segid "A " and resid 12 and name HB2 ))
(( segid "A " and resid 12 and name HB3 ))
2.100 .600 .600 peak 212 spectrum 1 weight .10000E+01 volume .30837E-02 ppm1 1.568 ppm2 1.382 CV 1
ASSI { 962}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 56 and name H ))
3.600 1.600 1.600 peak 962 spectrum 1 weight .10000E+01 volume .58783E-03 ppm1 3.931 ppm2 8.122 CV 1
ASSI { 805}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 39 and name HG2 ))
4.300 2.300 1.700 peak 805 spectrum 1 weight .10000E+01 volume .57440E-03 ppm1 .348 ppm2 2.271 CV 1
OR { 805}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 39 and name HG3 ))
ASSI { 571}
( segid "A " and resid 33 and name HB% )
( segid "A " and resid 35 and name HG2%)
3.900 1.900 1.900 peak 571 spectrum 1 weight .10000E+01 volume .81630E-03 ppm1 1.420 ppm2 .323 CV 1
ASSI { 1581}
(( segid "A " and resid 67 and name HE2 ))
(( segid "A " and resid 67 and name HB2 ))
3.700 1.700 1.700 peak 1581 spectrum 1 weight .10000E+01 volume .11354E-02 ppm1 3.092 ppm2 2.121 CV 1
OR { 1581}
(( segid "A " and resid 67 and name HE3 ))
(( segid "A " and resid 67 and name HB2 ))
ASSI { 218}
(( segid "A " and resid 78 and name HG12))
(( segid "A " and resid 79 and name HD3 ))
5.000 3.100 1.000 peak 218 spectrum 1 weight .10000E+01 volume .74238E-03 ppm1 1.445 ppm2 3.530 CV 1
ASSI { 1173}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 60 and name HA ))
3.400 1.500 1.500 peak 1173 spectrum 1 weight .10000E+01 volume .11052E-02 ppm1 2.239 ppm2 4.437 CV 1
ASSI { 354}
(( segid "A " and resid 47 and name HD3 ))
( segid "A " and resid 18 and name HE% )
3.800 1.800 1.800 peak 354 spectrum 1 weight .10000E+01 volume .59459E-03 ppm1 3.358 ppm2 7.393 CV 1
ASSI { 1115}
(( segid "A " and resid 29 and name HE2 ))
(( segid "A " and resid 29 and name HG3 ))
2.400 .700 .700 peak 1115 spectrum 1 weight .10000E+01 volume .62380E-02 ppm1 2.926 ppm2 1.105 CV 1
OR { 1115}
(( segid "A " and resid 29 and name HE3 ))
(( segid "A " and resid 29 and name HG3 ))
ASSI { 723}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HG2 ))
2.400 .700 .700 peak 723 spectrum 1 weight .10000E+01 volume .80790E-02 ppm1 4.279 ppm2 1.441 CV 1
OR { 723}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HG3 ))
ASSI { 1151}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 18 and name HA ))
3.600 1.600 1.600 peak 1151 spectrum 1 weight .10000E+01 volume .49717E-03 ppm1 7.589 ppm2 3.721 CV 1
ASSI { 466}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 23 and name HG2 ))
2.800 1.000 1.000 peak 466 spectrum 1 weight .10000E+01 volume .25832E-02 ppm1 .537 ppm2 1.421 CV 1
ASSI { 41}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HD3 ))
3.400 1.400 1.400 peak 41 spectrum 1 weight .10000E+01 volume .13538E-02 ppm1 4.503 ppm2 3.544 CV 1
ASSI { 688}
(( segid "A " and resid 59 and name HZ ))
( segid "A " and resid 21 and name HG2%)
2.600 2.600 3.400 peak 688 spectrum 1 weight .10000E+01 volume .15486E-02 ppm1 7.802 ppm2 1.541 CV 1
ASSI { 117}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 60 and name HG2 ))
2.800 1.000 1.000 peak 117 spectrum 1 weight .10000E+01 volume .94058E-03 ppm1 1.782 ppm2 2.534 CV 1
OR { 117}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 60 and name HG3 ))
ASSI { 874}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name HG2 ))
3.500 1.500 1.500 peak 874 spectrum 1 weight .10000E+01 volume .90360E-03 ppm1 2.783 ppm2 2.321 CV 1
ASSI { 138}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 33 and name H ))
3.900 1.900 1.900 peak 138 spectrum 1 weight .10000E+01 volume .88681E-03 ppm1 2.756 ppm2 7.485 CV 1
ASSI { 416}
(( segid "A " and resid 17 and name HB2 ))
( segid "A " and resid 17 and name HD% )
3.500 1.500 1.500 peak 416 spectrum 1 weight .10000E+01 volume .72895E-03 ppm1 3.390 ppm2 7.597 CV 1
ASSI { 963}
(( segid "A " and resid 26 and name HE1 ))
( segid "A " and resid 35 and name HG2%)
4.000 2.100 2.000 peak 963 spectrum 1 weight .10000E+01 volume .63153E-03 ppm1 7.501 ppm2 .342 CV 1
ASSI { 1153}
(( segid "A " and resid 56 and name HD3 ))
(( segid "A " and resid 56 and name HA ))
4.300 2.400 1.700 peak 1153 spectrum 1 weight .10000E+01 volume .59459E-03 ppm1 .836 ppm2 4.128 CV 1
ASSI { 1469}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 8 and name HD2 ))
3.500 1.500 1.500 peak 1469 spectrum 1 weight .10000E+01 volume .65503E-03 ppm1 1.343 ppm2 3.323 CV 1
ASSI { 1226}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 79 and name HG2 ))
3.700 1.700 1.700 peak 1226 spectrum 1 weight .10000E+01 volume .20558E-02 ppm1 .799 ppm2 1.972 CV 1
ASSI { 1240}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 17 and name HA ))
2.600 .800 .800 peak 1240 spectrum 1 weight .10000E+01 volume .44208E-02 ppm1 1.189 ppm2 4.143 CV 1
ASSI { 1430}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 27 and name H ))
3.500 1.600 1.600 peak 1430 spectrum 1 weight .10000E+01 volume .15519E-02 ppm1 1.683 ppm2 7.990 CV 1
OR { 1430}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 27 and name H ))
ASSI { 1080}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 31 and name HG2 ))
4.800 2.900 1.200 peak 1080 spectrum 1 weight .10000E+01 volume .65503E-03 ppm1 2.814 ppm2 1.951 CV 1
OR { 1080}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 192}
( segid "A " and resid 19 and name HG1%)
( segid "A " and resid 40 and name HE% )
2.700 .900 .900 peak 192 spectrum 1 weight .10000E+01 volume .36380E-02 ppm1 .818 ppm2 6.882 CV 1
ASSI { 282}
( segid "A " and resid 40 and name HD% )
( segid "A " and resid 35 and name HG1%)
3.700 1.700 1.700 peak 282 spectrum 1 weight .10000E+01 volume .63489E-03 ppm1 6.898 ppm2 .533 CV 1
ASSI { 648}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 11 and name H ))
3.100 1.200 1.200 peak 648 spectrum 1 weight .10000E+01 volume .16158E-02 ppm1 1.536 ppm2 7.632 CV 1
OR { 648}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 11 and name H ))
ASSI { 1142}
(( segid "A " and resid 8 and name HD2 ))
(( segid "A " and resid 8 and name HG3 ))
3.300 1.400 1.400 peak 1142 spectrum 1 weight .10000E+01 volume .20088E-02 ppm1 3.320 ppm2 1.537 CV 1
OR { 1142}
(( segid "A " and resid 8 and name HD2 ))
(( segid "A " and resid 8 and name HB3 ))
ASSI { 1318}
(( segid "A " and resid 20 and name HG2 ))
( segid "B " and resid 154 and name HD% )
4.100 2.100 1.900 peak 1318 spectrum 1 weight .10000E+01 volume .56097E-03 ppm1 2.284 ppm2 7.209 CV 1
OR { 1318}
(( segid "A " and resid 20 and name HG3 ))
( segid "B " and resid 154 and name HD% )
ASSI { 825}
(( segid "A " and resid 9 and name HG3 ))
(( segid "A " and resid 9 and name H ))
3.600 1.600 1.600 peak 825 spectrum 1 weight .10000E+01 volume .10649E-02 ppm1 1.667 ppm2 8.926 CV 1
ASSI { 142}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 35 and name H ))
3.800 1.800 1.800 peak 142 spectrum 1 weight .10000E+01 volume .45348E-03 ppm1 .356 ppm2 8.319 CV 1
ASSI { 100}
(( segid "A " and resid 31 and name HD3 ))
(( segid "A " and resid 31 and name HB2 ))
3.900 1.900 1.900 peak 100 spectrum 1 weight .10000E+01 volume .15418E-02 ppm1 3.550 ppm2 2.360 CV 1
ASSI { 1211}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 34 and name HA ))
4.100 2.100 1.900 peak 1211 spectrum 1 weight .10000E+01 volume .11421E-02 ppm1 .532 ppm2 4.488 CV 1
ASSI { 1178}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 78 and name HG13))
2.400 .700 .700 peak 1178 spectrum 1 weight .10000E+01 volume .17488E-01 ppm1 .802 ppm2 1.010 CV 1
ASSI { 596}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HB3 ))
3.300 1.400 1.400 peak 596 spectrum 1 weight .10000E+01 volume .13000E-02 ppm1 4.121 ppm2 2.955 CV 1
ASSI { 1591}
(( segid "A " and resid 64 and name HG3 ))
(( segid "A " and resid 64 and name H ))
2.800 1.000 1.000 peak 1591 spectrum 1 weight .10000E+01 volume .17669E-02 ppm1 1.500 ppm2 8.586 CV 1
ASSI { 999}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 4 and name HB3 ))
1.700 .400 .500 peak 999 spectrum 1 weight .10000E+01 volume .18623E-01 ppm1 2.632 ppm2 2.776 CV 1
ASSI { 912}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HA ))
2.300 .700 .700 peak 912 spectrum 1 weight .10000E+01 volume .48405E-02 ppm1 1.932 ppm2 4.497 CV 1
ASSI { 424}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 26 and name HA ))
3.100 1.200 1.200 peak 424 spectrum 1 weight .10000E+01 volume .14545E-02 ppm1 6.513 ppm2 4.221 CV 1
ASSI { 261}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 5 and name HD3 ))
1.900 .500 .500 peak 261 spectrum 1 weight .10000E+01 volume .17686E-01 ppm1 4.881 ppm2 3.897 CV 1
OR { 261}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 5 and name HD2 ))
ASSI { 1024}
(( segid "A " and resid 71 and name HG3 ))
( segid "A " and resid 70 and name HD% )
3.200 1.300 1.300 peak 1024 spectrum 1 weight .10000E+01 volume .13369E-02 ppm1 2.411 ppm2 7.206 CV 1
ASSI { 1370}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 59 and name H ))
4.200 2.200 1.800 peak 1370 spectrum 1 weight .10000E+01 volume .59795E-03 ppm1 4.112 ppm2 7.296 CV 1
ASSI { 165}
( segid "A " and resid 76 and name HG2%)
(( segid "A " and resid 77 and name HB3 ))
3.800 1.800 1.800 peak 165 spectrum 1 weight .10000E+01 volume .96408E-03 ppm1 1.203 ppm2 3.004 CV 1
ASSI { 209}
(( segid "A " and resid 7 and name HB2 ))
( segid "A " and resid 77 and name HE% )
4.100 2.100 1.900 peak 209 spectrum 1 weight .10000E+01 volume .68526E-03 ppm1 1.573 ppm2 6.740 CV 1
ASSI { 1315}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 40 and name HZ ))
3.700 1.700 1.700 peak 1315 spectrum 1 weight .10000E+01 volume .10917E-02 ppm1 2.503 ppm2 6.851 CV 1
OR { 1315}
(( segid "A " and resid 22 and name HB2 ))
( segid "A " and resid 40 and name HE% )
ASSI { 1608}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 72 and name H ))
3.300 3.300 2.700 peak 1608 spectrum 1 weight .10000E+01 volume .34129E-02 ppm1 4.010 ppm2 7.986 CV 1
ASSI { 544}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 30 and name HB2 ))
2.100 .500 .500 peak 544 spectrum 1 weight .10000E+01 volume .38731E-02 ppm1 2.817 ppm2 2.601 CV 1
ASSI { 696}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name HE3 ))
2.700 2.700 3.300 peak 696 spectrum 1 weight .10000E+01 volume .10313E-02 ppm1 1.262 ppm2 2.935 CV 1
OR { 696}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name HE2 ))
ASSI { 1506}
( segid "A " and resid 70 and name HE% )
(( segid "A " and resid 8 and name HB3 ))
3.000 1.100 1.100 peak 1506 spectrum 1 weight .10000E+01 volume .20927E-02 ppm1 6.812 ppm2 1.536 CV 1
OR { 1506}
( segid "A " and resid 70 and name HE% )
(( segid "A " and resid 8 and name HG3 ))
ASSI { 461}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 8 and name HB2 ))
2.200 .600 .600 peak 461 spectrum 1 weight .10000E+01 volume .21935E-02 ppm1 1.513 ppm2 2.381 CV 1
ASSI { 351}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 32 and name H ))
4.200 2.200 1.800 peak 351 spectrum 1 weight .10000E+01 volume .91032E-03 ppm1 1.986 ppm2 8.507 CV 1
ASSI { 307}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 39 and name HA ))
3.200 1.300 1.300 peak 307 spectrum 1 weight .10000E+01 volume .40478E-02 ppm1 2.211 ppm2 4.046 CV 1
ASSI { 211}
(( segid "A " and resid 74 and name HG2 ))
( segid "A " and resid 70 and name HE% )
3.600 1.600 1.600 peak 211 spectrum 1 weight .10000E+01 volume .69197E-03 ppm1 1.983 ppm2 6.778 CV 1
ASSI { 495}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 11 and name HG2 ))
2.900 1.100 1.100 peak 495 spectrum 1 weight .10000E+01 volume .16897E-02 ppm1 1.539 ppm2 .847 CV 1
OR { 495}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 11 and name HG2 ))
ASSI { 304}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 19 and name HB ))
2.400 .700 .700 peak 304 spectrum 1 weight .10000E+01 volume .48472E-02 ppm1 .818 ppm2 1.763 CV 1
ASSI { 747}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 80 and name HD3 ))
1.900 .500 .500 peak 747 spectrum 1 weight .10000E+01 volume .98993E-02 ppm1 4.404 ppm2 3.870 CV 1
ASSI { 1249}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name H ))
2.800 .900 .900 peak 1249 spectrum 1 weight .10000E+01 volume .25396E-02 ppm1 4.132 ppm2 8.586 CV 1
ASSI { 1268}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 78 and name HA ))
3.200 1.200 1.200 peak 1268 spectrum 1 weight .10000E+01 volume .51193E-02 ppm1 .796 ppm2 4.281 CV 1
ASSI { 600}
(( segid "A " and resid 20 and name HG2 ))
( segid "A " and resid 12 and name HE% )
3.600 1.600 1.600 peak 600 spectrum 1 weight .10000E+01 volume .13504E-02 ppm1 2.285 ppm2 1.191 CV 1
OR { 600}
(( segid "A " and resid 20 and name HG3 ))
( segid "A " and resid 12 and name HE% )
ASSI { 1645}
(( segid "A " and resid 48 and name HH2 ))
(( segid "A " and resid 48 and name HZ2 ))
3.000 1.100 1.100 peak 1645 spectrum 1 weight .10000E+01 volume .18072E-02 ppm1 7.090 ppm2 7.583 CV 1
ASSI { 1480}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HD2 ))
3.700 1.700 1.700 peak 1480 spectrum 1 weight .10000E+01 volume .61810E-03 ppm1 4.235 ppm2 6.870 CV 1
ASSI { 11}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name HD3 ))
3.000 1.200 1.200 peak 11 spectrum 1 weight .10000E+01 volume .10749E-02 ppm1 1.748 ppm2 .818 CV 1
OR { 11}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name HD2 ))
ASSI { 1409}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HA ))
2.700 .900 .900 peak 1409 spectrum 1 weight .10000E+01 volume .21566E-02 ppm1 1.670 ppm2 3.846 CV 1
ASSI { 101}
(( segid "A " and resid 78 and name HG13))
( segid "A " and resid 78 and name HD1%)
2.100 .500 .500 peak 101 spectrum 1 weight .10000E+01 volume .17434E-01 ppm1 1.024 ppm2 .801 CV 1
OR { 101}
(( segid "A " and resid 78 and name HG13))
( segid "A " and resid 78 and name HG2%)
ASSI { 680}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 60 and name H ))
3.800 1.800 1.800 peak 680 spectrum 1 weight .10000E+01 volume .20289E-02 ppm1 2.568 ppm2 8.414 CV 1
ASSI { 93}
(( segid "A " and resid 7 and name HG2 ))
( segid "A " and resid 77 and name HD% )
4.000 2.000 2.000 peak 93 spectrum 1 weight .10000E+01 volume .46355E-03 ppm1 1.330 ppm2 7.102 CV 1
ASSI { 718}
( segid "A " and resid 37 and name HE% )
( segid "A " and resid 35 and name HG2%)
3.100 3.100 2.900 peak 718 spectrum 1 weight .10000E+01 volume .50725E-03 ppm1 7.003 ppm2 .348 CV 1
ASSI { 50}
(( segid "A " and resid 43 and name HG3 ))
( segid "A " and resid 40 and name HD% )
3.500 1.500 1.500 peak 50 spectrum 1 weight .10000E+01 volume .79275E-03 ppm1 1.529 ppm2 6.919 CV 1
OR { 50}
(( segid "A " and resid 43 and name HG3 ))
( segid "A " and resid 40 and name HE% )
ASSI { 768}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 30 and name HA ))
4.600 2.700 1.400 peak 768 spectrum 1 weight .10000E+01 volume .91032E-03 ppm1 1.929 ppm2 4.993 CV 1
ASSI { 1247}
(( segid "A " and resid 40 and name HZ ))
( segid "A " and resid 19 and name HG1%)
3.900 1.900 1.900 peak 1247 spectrum 1 weight .10000E+01 volume .49717E-03 ppm1 6.797 ppm2 .799 CV 1
ASSI { 683}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name H ))
3.100 1.200 1.200 peak 683 spectrum 1 weight .10000E+01 volume .11992E-02 ppm1 3.736 ppm2 8.083 CV 1
ASSI { 759}
( segid "A " and resid 17 and name HE% )
( segid "A " and resid 62 and name HE% )
3.600 1.600 1.600 peak 759 spectrum 1 weight .10000E+01 volume .88010E-03 ppm1 7.317 ppm2 1.946 CV 1
ASSI { 911}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 62 and name H ))
3.800 1.800 1.800 peak 911 spectrum 1 weight .10000E+01 volume .10044E-02 ppm1 2.594 ppm2 7.385 CV 1
ASSI { 926}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 27 and name HE3 ))
2.800 2.800 3.200 peak 926 spectrum 1 weight .10000E+01 volume .92715E-03 ppm1 4.502 ppm2 2.969 CV 1
OR { 926}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 27 and name HE2 ))
ASSI { 451}
(( segid "A " and resid 60 and name HA ))
(( segid "A " and resid 60 and name H ))
3.000 1.100 1.100 peak 451 spectrum 1 weight .10000E+01 volume .15822E-02 ppm1 4.448 ppm2 8.404 CV 1
ASSI { 1146}
(( segid "A " and resid 79 and name HD2 ))
(( segid "A " and resid 78 and name HG13))
4.500 2.500 1.500 peak 1146 spectrum 1 weight .10000E+01 volume .71552E-03 ppm1 3.580 ppm2 1.017 CV 1
ASSI { 166}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 60 and name HA ))
3.100 1.200 1.200 peak 166 spectrum 1 weight .10000E+01 volume .17703E-02 ppm1 2.509 ppm2 4.440 CV 1
ASSI { 122}
(( segid "A " and resid 12 and name HB2 ))
(( segid "A " and resid 13 and name H ))
4.300 2.300 1.700 peak 122 spectrum 1 weight .10000E+01 volume .49046E-03 ppm1 1.588 ppm2 8.170 CV 1
ASSI { 445}
(( segid "A " and resid 34 and name HB3 ))
(( segid "A " and resid 34 and name HA ))
2.300 .700 .700 peak 445 spectrum 1 weight .10000E+01 volume .70509E-02 ppm1 3.813 ppm2 4.512 CV 1
OR { 445}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 34 and name HA ))
ASSI { 1338}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 74 and name HB3 ))
3.600 1.600 1.600 peak 1338 spectrum 1 weight .10000E+01 volume .84652E-03 ppm1 7.213 ppm2 1.843 CV 1
OR { 1338}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 74 and name HB2 ))
ASSI { 788}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 39 and name HB2 ))
3.800 1.800 1.800 peak 788 spectrum 1 weight .10000E+01 volume .11455E-02 ppm1 .353 ppm2 2.024 CV 1
OR { 788}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 39 and name HB3 ))
ASSI { 528}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB3 ))
2.200 .600 .600 peak 528 spectrum 1 weight .10000E+01 volume .64964E-02 ppm1 4.276 ppm2 1.781 CV 1
ASSI { 1119}
(( segid "A " and resid 37 and name HB3 ))
( segid "A " and resid 37 and name HE% )
3.800 1.800 1.800 peak 1119 spectrum 1 weight .10000E+01 volume .22137E-02 ppm1 2.994 ppm2 7.013 CV 1
ASSI { 1564}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 6 and name H ))
2.400 .700 .700 peak 1564 spectrum 1 weight .10000E+01 volume .68627E-02 ppm1 4.461 ppm2 8.357 CV 1
ASSI { 471}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HG3 ))
3.200 1.300 1.300 peak 471 spectrum 1 weight .10000E+01 volume .19248E-02 ppm1 1.671 ppm2 1.056 CV 1
ASSI { 1500}
(( segid "A " and resid 79 and name HD2 ))
(( segid "A " and resid 79 and name HG2 ))
2.000 .500 .500 peak 1500 spectrum 1 weight .10000E+01 volume .85624E-02 ppm1 3.572 ppm2 1.966 CV 1
ASSI { 1623}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 53 and name HA ))
4.800 2.900 1.200 peak 1623 spectrum 1 weight .10000E+01 volume .50389E-03 ppm1 1.250 ppm2 3.886 CV 1
ASSI { 18}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HG3 ))
2.700 .900 .900 peak 18 spectrum 1 weight .10000E+01 volume .35204E-02 ppm1 4.069 ppm2 .835 CV 1
OR { 18}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HG2 ))
ASSI { 675}
(( segid "A " and resid 12 and name HG3 ))
(( segid "A " and resid 12 and name H ))
3.500 1.500 1.500 peak 675 spectrum 1 weight .10000E+01 volume .84652E-03 ppm1 2.015 ppm2 8.986 CV 1
ASSI { 183}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 77 and name H ))
4.500 2.500 1.500 peak 183 spectrum 1 weight .10000E+01 volume .73231E-03 ppm1 7.086 ppm2 7.486 CV 1
ASSI { 1118}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HD3 ))
2.400 .700 .700 peak 1118 spectrum 1 weight .10000E+01 volume .58351E-02 ppm1 4.189 ppm2 1.717 CV 1
OR { 1118}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HG2 ))
ASSI { 535}
(( segid "A " and resid 83 and name HG3 ))
(( segid "A " and resid 83 and name HA ))
3.500 1.500 1.500 peak 535 spectrum 1 weight .10000E+01 volume .10313E-02 ppm1 2.188 ppm2 4.159 CV 1
OR { 535}
(( segid "A " and resid 83 and name HG2 ))
(( segid "A " and resid 83 and name HA ))
ASSI { 891}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 41 and name H ))
3.000 1.100 1.100 peak 891 spectrum 1 weight .10000E+01 volume .16762E-02 ppm1 3.674 ppm2 8.571 CV 1
ASSI { 1599}
(( segid "A " and resid 79 and name HB2 ))
( segid "A " and resid 78 and name HG2%)
4.300 2.300 1.700 peak 1599 spectrum 1 weight .10000E+01 volume .54754E-03 ppm1 2.344 ppm2 .793 CV 1
ASSI { 491}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 7 and name HD3 ))
3.400 1.400 1.400 peak 491 spectrum 1 weight .10000E+01 volume .10380E-02 ppm1 2.617 ppm2 1.627 CV 1
OR { 491}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 7 and name HB2 ))
OR { 491}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 7 and name HD2 ))
OR { 491}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 7 and name HB3 ))
ASSI { 276}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HD2 ))
3.500 1.600 1.600 peak 276 spectrum 1 weight .10000E+01 volume .14814E-02 ppm1 4.492 ppm2 3.312 CV 1
ASSI { 1368}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name H ))
3.100 1.200 1.200 peak 1368 spectrum 1 weight .10000E+01 volume .17400E-02 ppm1 1.704 ppm2 8.581 CV 1
ASSI { 413}
(( segid "A " and resid 48 and name HH2 ))
(( segid "A " and resid 48 and name HZ3 ))
3.100 1.200 1.200 peak 413 spectrum 1 weight .10000E+01 volume .10581E-02 ppm1 7.091 ppm2 6.422 CV 1
ASSI { 1354}
(( segid "A " and resid 79 and name HB3 ))
( segid "A " and resid 77 and name HE% )
3.000 1.100 1.100 peak 1354 spectrum 1 weight .10000E+01 volume .14444E-02 ppm1 1.883 ppm2 6.740 CV 1
ASSI { 1578}
(( segid "A " and resid 12 and name HB3 ))
(( segid "A " and resid 13 and name H ))
3.400 1.500 1.500 peak 1578 spectrum 1 weight .10000E+01 volume .57440E-03 ppm1 1.395 ppm2 8.167 CV 1
ASSI { 1231}
(( segid "A " and resid 57 and name HA3 ))
(( segid "A " and resid 60 and name HG3 ))
4.700 2.800 1.300 peak 1231 spectrum 1 weight .10000E+01 volume .65168E-03 ppm1 4.024 ppm2 2.540 CV 1
OR { 1231}
(( segid "A " and resid 57 and name HA3 ))
(( segid "A " and resid 60 and name HG2 ))
ASSI { 227}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 43 and name HA ))
2.500 .800 .800 peak 227 spectrum 1 weight .10000E+01 volume .46859E-02 ppm1 1.783 ppm2 4.070 CV 1
OR { 227}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 43 and name HA ))
ASSI { 1267}
(( segid "A " and resid 43 and name HE3 ))
( segid "A " and resid 40 and name HD% )
3.400 1.400 1.400 peak 1267 spectrum 1 weight .10000E+01 volume .83644E-03 ppm1 2.931 ppm2 6.874 CV 1
OR { 1267}
(( segid "A " and resid 43 and name HE2 ))
( segid "A " and resid 40 and name HD% )
ASSI { 1594}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 5 and name HG3 ))
3.900 1.900 1.900 peak 1594 spectrum 1 weight .10000E+01 volume .16158E-02 ppm1 2.780 ppm2 2.038 CV 1
OR { 1594}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 5 and name HG2 ))
OR { 1594}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 5 and name HB3 ))
ASSI { 1235}
(( segid "A " and resid 66 and name HB3 ))
( segid "A " and resid 17 and name HE% )
3.200 1.300 1.300 peak 1235 spectrum 1 weight .10000E+01 volume .13504E-02 ppm1 3.114 ppm2 7.321 CV 1
OR { 1235}
(( segid "A " and resid 66 and name HB2 ))
( segid "A " and resid 17 and name HE% )
ASSI { 1271}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 34 and name HB3 ))
4.000 2.000 2.000 peak 1271 spectrum 1 weight .10000E+01 volume .11219E-02 ppm1 4.424 ppm2 3.797 CV 1
OR { 1271}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 34 and name HB2 ))
ASSI { 772}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 51 and name HA ))
4.400 2.400 1.600 peak 772 spectrum 1 weight .10000E+01 volume .53747E-03 ppm1 1.238 ppm2 4.166 CV 1
ASSI { 623}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 78 and name HB ))
1.900 .500 .500 peak 623 spectrum 1 weight .10000E+01 volume .21254E-01 ppm1 .800 ppm2 1.661 CV 1
ASSI { 1019}
(( segid "A " and resid 28 and name HG3 ))
(( segid "A " and resid 28 and name HG2 ))
1.600 .300 .600 peak 1019 spectrum 1 weight .10000E+01 volume .18297E-01 ppm1 1.577 ppm2 1.394 CV 1
ASSI { 414}
(( segid "A " and resid 17 and name HZ ))
( segid "A " and resid 17 and name HE% )
2.600 .800 .800 peak 414 spectrum 1 weight .10000E+01 volume .40512E-02 ppm1 7.112 ppm2 7.324 CV 1
ASSI { 949}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 74 and name H ))
3.300 1.300 1.300 peak 949 spectrum 1 weight .10000E+01 volume .22002E-02 ppm1 2.020 ppm2 8.455 CV 1
ASSI { 1113}
(( segid "A " and resid 8 and name HD3 ))
( segid "A " and resid 77 and name HD% )
3.500 1.500 1.500 peak 1113 spectrum 1 weight .10000E+01 volume .73567E-03 ppm1 2.930 ppm2 7.098 CV 1
ASSI { 993}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name HG2 ))
2.300 .600 .600 peak 993 spectrum 1 weight .10000E+01 volume .10951E-02 ppm1 -.024 ppm2 .996 CV 1
ASSI { 1314}
(( segid "A " and resid 71 and name HG3 ))
(( segid "A " and resid 68 and name HA ))
3.400 1.400 1.400 peak 1314 spectrum 1 weight .10000E+01 volume .69533E-03 ppm1 2.401 ppm2 4.294 CV 1
ASSI { 576}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 13 and name H ))
3.900 1.900 1.900 peak 576 spectrum 1 weight .10000E+01 volume .10716E-02 ppm1 2.134 ppm2 8.203 CV 1
ASSI { 314}
(( segid "A " and resid 35 and name HB ))
( segid "A " and resid 35 and name HG1%)
2.200 .600 .600 peak 314 spectrum 1 weight .10000E+01 volume .93051E-02 ppm1 1.663 ppm2 .539 CV 1
ASSI { 364}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HA ))
2.500 .800 .800 peak 364 spectrum 1 weight .10000E+01 volume .40780E-02 ppm1 1.315 ppm2 3.976 CV 1
ASSI { 702}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 30 and name HB2 ))
3.000 1.100 1.100 peak 702 spectrum 1 weight .10000E+01 volume .12597E-02 ppm1 6.514 ppm2 2.613 CV 1
ASSI { 1566}
(( segid "A " and resid 58 and name HG3 ))
( segid "A " and resid 62 and name HE% )
3.800 1.800 1.800 peak 1566 spectrum 1 weight .10000E+01 volume .14982E-02 ppm1 .812 ppm2 1.913 CV 1
ASSI { 202}
(( segid "A " and resid 71 and name HG2 ))
(( segid "A " and resid 68 and name HA ))
4.100 2.100 1.900 peak 202 spectrum 1 weight .10000E+01 volume .79946E-03 ppm1 2.741 ppm2 4.295 CV 1
ASSI { 1169}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 39 and name H ))
3.600 1.600 1.600 peak 1169 spectrum 1 weight .10000E+01 volume .16998E-02 ppm1 2.018 ppm2 7.803 CV 1
ASSI { 1565}
(( segid "A " and resid 2 and name HG3 ))
(( segid "A " and resid 2 and name HA ))
2.600 .900 .900 peak 1565 spectrum 1 weight .10000E+01 volume .48843E-02 ppm1 1.479 ppm2 4.280 CV 1
OR { 1565}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 2 and name HA ))
ASSI { 1017}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 83 and name HA ))
3.000 1.100 1.100 peak 1017 spectrum 1 weight .10000E+01 volume .18442E-02 ppm1 2.083 ppm2 4.154 CV 1
ASSI { 764}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name H ))
2.700 .900 .900 peak 764 spectrum 1 weight .10000E+01 volume .25026E-02 ppm1 4.993 ppm2 8.034 CV 1
ASSI { 925}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 56 and name H ))
3.100 1.200 1.200 peak 925 spectrum 1 weight .10000E+01 volume .18677E-02 ppm1 1.811 ppm2 8.116 CV 1
ASSI { 482}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 17 and name HB2 ))
3.500 1.500 1.500 peak 482 spectrum 1 weight .10000E+01 volume .69197E-03 ppm1 1.780 ppm2 3.403 CV 1
ASSI { 844}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 78 and name H ))
3.200 1.300 1.300 peak 844 spectrum 1 weight .10000E+01 volume .19382E-02 ppm1 .798 ppm2 7.796 CV 1
ASSI { 1122}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 58 and name H ))
4.100 2.100 1.900 peak 1122 spectrum 1 weight .10000E+01 volume .10884E-02 ppm1 .866 ppm2 7.852 CV 1
ASSI { 506}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 55 and name HA ))
2.400 .700 .700 peak 506 spectrum 1 weight .10000E+01 volume .46391E-02 ppm1 2.216 ppm2 4.062 CV 1
ASSI { 700}
(( segid "A " and resid 18 and name HZ ))
(( segid "A " and resid 47 and name HB3 ))
3.700 1.700 1.700 peak 700 spectrum 1 weight .10000E+01 volume .64832E-03 ppm1 7.090 ppm2 2.202 CV 1
OR { 700}
(( segid "A " and resid 18 and name HZ ))
(( segid "A " and resid 47 and name HB2 ))
ASSI { 411}
(( segid "A " and resid 7 and name HB3 ))
( segid "A " and resid 77 and name HE% )
4.300 2.300 1.700 peak 411 spectrum 1 weight .10000E+01 volume .53075E-03 ppm1 1.667 ppm2 6.776 CV 1
ASSI { 456}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 73 and name HA ))
3.200 1.300 1.300 peak 456 spectrum 1 weight .10000E+01 volume .26638E-02 ppm1 2.174 ppm2 4.015 CV 1
ASSI { 527}
(( segid "A " and resid 26 and name HE1 ))
( segid "A " and resid 33 and name HB% )
2.900 1.100 1.100 peak 527 spectrum 1 weight .10000E+01 volume .20659E-02 ppm1 7.492 ppm2 1.424 CV 1
ASSI { 1313}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HB2 ))
2.300 .600 .600 peak 1313 spectrum 1 weight .10000E+01 volume .15110E-01 ppm1 4.462 ppm2 2.356 CV 1
ASSI { 1395}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HB ))
2.600 .900 .900 peak 1395 spectrum 1 weight .10000E+01 volume .27276E-02 ppm1 3.983 ppm2 1.661 CV 1
ASSI { 407}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 18 and name HB2 ))
4.200 2.200 1.800 peak 407 spectrum 1 weight .10000E+01 volume .53411E-03 ppm1 2.889 ppm2 2.105 CV 1
ASSI { 295}
(( segid "A " and resid 9 and name HG2 ))
(( segid "A " and resid 9 and name HD2 ))
2.400 .700 .700 peak 295 spectrum 1 weight .10000E+01 volume .45215E-02 ppm1 1.926 ppm2 3.202 CV 1
OR { 295}
(( segid "A " and resid 9 and name HG2 ))
(( segid "A " and resid 9 and name HD3 ))
ASSI { 421}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 70 and name HB3 ))
2.800 1.000 1.000 peak 421 spectrum 1 weight .10000E+01 volume .20760E-02 ppm1 7.209 ppm2 3.137 CV 1
OR { 421}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 70 and name HB2 ))
ASSI { 612}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 8 and name HD2 ))
3.400 1.500 1.500 peak 612 spectrum 1 weight .10000E+01 volume .11925E-02 ppm1 7.085 ppm2 3.312 CV 1
ASSI { 435}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 30 and name HD2 ))
3.500 1.500 1.500 peak 435 spectrum 1 weight .10000E+01 volume .83644E-03 ppm1 6.874 ppm2 6.532 CV 1
ASSI { 1538}
(( segid "A " and resid 12 and name HB3 ))
( segid "A " and resid 12 and name HE% )
2.900 1.000 1.000 peak 1538 spectrum 1 weight .10000E+01 volume .17770E-02 ppm1 1.398 ppm2 1.195 CV 1
ASSI { 548}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name H ))
4.200 2.200 1.800 peak 548 spectrum 1 weight .10000E+01 volume .17165E-02 ppm1 1.589 ppm2 7.451 CV 1
ASSI { 524}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 20 and name HG3 ))
2.300 .700 .700 peak 524 spectrum 1 weight .10000E+01 volume .65101E-02 ppm1 2.080 ppm2 2.277 CV 1
OR { 524}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 20 and name HG2 ))
OR { 524}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 20 and name HG3 ))
OR { 524}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 20 and name HG2 ))
ASSI { 1348}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD3 ))
3.200 1.300 1.300 peak 1348 spectrum 1 weight .10000E+01 volume .21700E-02 ppm1 4.462 ppm2 3.881 CV 1
OR { 1348}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD2 ))
ASSI { 1182}
(( segid "A " and resid 12 and name HB3 ))
(( segid "A " and resid 12 and name HG3 ))
3.400 1.500 1.500 peak 1182 spectrum 1 weight .10000E+01 volume .99766E-03 ppm1 1.393 ppm2 2.032 CV 1
ASSI { 222}
(( segid "A " and resid 23 and name HG3 ))
(( segid "A " and resid 23 and name HA ))
3.500 1.500 1.500 peak 222 spectrum 1 weight .10000E+01 volume .96073E-03 ppm1 1.299 ppm2 3.745 CV 1
ASSI { 681}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 7 and name HD3 ))
3.100 1.200 1.200 peak 681 spectrum 1 weight .10000E+01 volume .30972E-02 ppm1 2.790 ppm2 1.651 CV 1
OR { 681}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 7 and name HD2 ))
OR { 681}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 7 and name HB3 ))
ASSI { 250}
(( segid "A " and resid 63 and name HA ))
(( segid "A " and resid 17 and name HZ ))
3.700 1.700 1.700 peak 250 spectrum 1 weight .10000E+01 volume .93722E-03 ppm1 4.397 ppm2 7.142 CV 1
ASSI { 831}
(( segid "A " and resid 79 and name HG2 ))
( segid "A " and resid 77 and name HE% )
4.000 2.000 2.000 peak 831 spectrum 1 weight .10000E+01 volume .13470E-02 ppm1 1.977 ppm2 6.731 CV 1
ASSI { 1012}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 61 and name HB2 ))
2.600 .900 .900 peak 1012 spectrum 1 weight .10000E+01 volume .33793E-02 ppm1 4.463 ppm2 2.597 CV 1
ASSI { 225}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HB2 ))
2.500 .800 .800 peak 225 spectrum 1 weight .10000E+01 volume .29662E-02 ppm1 4.525 ppm2 3.035 CV 1
ASSI { 812}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name H ))
2.500 .800 .800 peak 812 spectrum 1 weight .10000E+01 volume .54754E-02 ppm1 2.025 ppm2 8.585 CV 1
OR { 812}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name H ))
ASSI { 910}
(( segid "A " and resid 12 and name HB3 ))
( segid "A " and resid 17 and name HE% )
3.900 1.900 1.900 peak 910 spectrum 1 weight .10000E+01 volume .10682E-02 ppm1 1.393 ppm2 7.328 CV 1
ASSI { 440}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 4 and name HB3 ))
4.100 2.100 1.900 peak 440 spectrum 1 weight .10000E+01 volume .95737E-03 ppm1 1.662 ppm2 2.774 CV 1
ASSI { 1642}
( segid "A " and resid 19 and name HG1%)
( segid "A " and resid 18 and name HD% )
4.600 2.600 1.400 peak 1642 spectrum 1 weight .10000E+01 volume .41318E-03 ppm1 .822 ppm2 6.360 CV 1
ASSI { 1327}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 11 and name HA ))
3.500 1.500 1.500 peak 1327 spectrum 1 weight .10000E+01 volume .14478E-02 ppm1 1.190 ppm2 4.047 CV 1
ASSI { 1028}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 29 and name HB2 ))
3.100 1.200 1.200 peak 1028 spectrum 1 weight .10000E+01 volume .10346E-02 ppm1 4.223 ppm2 1.327 CV 1
OR { 1028}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 29 and name HG2 ))
ASSI { 1415}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HG2 ))
2.600 .800 .800 peak 1415 spectrum 1 weight .10000E+01 volume .66043E-02 ppm1 4.276 ppm2 1.458 CV 1
OR { 1415}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HG3 ))
ASSI { 613}
( segid "A " and resid 16 and name HB% )
( segid "B " and resid 145 and name HD2%)
2.900 1.100 1.100 peak 613 spectrum 1 weight .10000E+01 volume .28183E-02 ppm1 1.315 ppm2 .847 CV 1
OR { 613}
( segid "A " and resid 16 and name HB% )
( segid "B " and resid 145 and name HD1%)
ASSI { 552}
(( segid "A " and resid 79 and name HD3 ))
( segid "A " and resid 77 and name HE% )
3.800 1.800 1.800 peak 552 spectrum 1 weight .10000E+01 volume .50053E-03 ppm1 3.509 ppm2 6.733 CV 1
ASSI { 1277}
(( segid "A " and resid 78 and name HG12))
(( segid "A " and resid 78 and name H ))
3.600 1.600 1.600 peak 1277 spectrum 1 weight .10000E+01 volume .26336E-02 ppm1 1.438 ppm2 7.791 CV 1
ASSI { 1125}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 29 and name HB2 ))
2.800 1.000 1.000 peak 1125 spectrum 1 weight .10000E+01 volume .15251E-02 ppm1 6.511 ppm2 1.307 CV 1
ASSI { 590}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 8 and name HB3 ))
2.100 .500 .500 peak 590 spectrum 1 weight .10000E+01 volume .44140E-02 ppm1 2.383 ppm2 1.524 CV 1
OR { 590}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 8 and name HG3 ))
ASSI { 697}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HB2 ))
3.100 1.200 1.200 peak 697 spectrum 1 weight .10000E+01 volume .23615E-02 ppm1 4.227 ppm2 2.380 CV 1
ASSI { 870}
(( segid "A " and resid 10 and name HA3 ))
( segid "A " and resid 70 and name HE% )
4.200 2.200 1.800 peak 870 spectrum 1 weight .10000E+01 volume .53075E-03 ppm1 3.658 ppm2 6.821 CV 1
ASSI { 248}
(( segid "A " and resid 72 and name HG3 ))
(( segid "A " and resid 72 and name HA ))
2.900 1.100 1.100 peak 248 spectrum 1 weight .10000E+01 volume .27982E-02 ppm1 1.639 ppm2 4.115 CV 1
ASSI { 1280}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 18 and name HZ ))
3.600 1.600 1.600 peak 1280 spectrum 1 weight .10000E+01 volume .70880E-03 ppm1 3.199 ppm2 7.103 CV 1
ASSI { 1135}
( segid "A " and resid 40 and name HD% )
(( segid "A " and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 1135 spectrum 1 weight .10000E+01 volume .16090E-02 ppm1 6.898 ppm2 2.779 CV 1
ASSI { 1265}
(( segid "A " and resid 12 and name HG3 ))
(( segid "A " and resid 13 and name H ))
4.000 2.000 2.000 peak 1265 spectrum 1 weight .10000E+01 volume .14680E-02 ppm1 1.999 ppm2 8.200 CV 1
ASSI { 705}
(( segid "A " and resid 23 and name HD3 ))
( segid "A " and resid 40 and name HE% )
3.900 1.900 1.900 peak 705 spectrum 1 weight .10000E+01 volume .75246E-03 ppm1 2.735 ppm2 6.868 CV 1
OR { 705}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 40 and name HZ ))
ASSI { 832}
(( segid "A " and resid 58 and name HE3 ))
(( segid "A " and resid 58 and name HE2 ))
1.700 .300 .500 peak 832 spectrum 1 weight .10000E+01 volume .12043E-01 ppm1 2.551 ppm2 2.783 CV 1
ASSI { 1596}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HD3 ))
2.400 .700 .700 peak 1596 spectrum 1 weight .10000E+01 volume .11045E-01 ppm1 1.095 ppm2 1.574 CV 1
OR { 1596}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 1470}
(( segid "A " and resid 72 and name HG2 ))
(( segid "A " and resid 72 and name HA ))
2.800 1.000 1.000 peak 1470 spectrum 1 weight .10000E+01 volume .26873E-02 ppm1 1.758 ppm2 4.101 CV 1
ASSI { 1165}
(( segid "A " and resid 47 and name HG3 ))
(( segid "A " and resid 18 and name HZ ))
3.400 1.500 1.500 peak 1165 spectrum 1 weight .10000E+01 volume .12698E-02 ppm1 1.938 ppm2 7.105 CV 1
ASSI { 185}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 10 and name HA3 ))
3.100 3.100 2.900 peak 185 spectrum 1 weight .10000E+01 volume .31946E-02 ppm1 1.176 ppm2 3.649 CV 1
ASSI { 5}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 42 and name H ))
3.300 1.300 1.300 peak 5 spectrum 1 weight .10000E+01 volume .11891E-02 ppm1 3.681 ppm2 7.478 CV 1
ASSI { 522}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 49 and name H ))
3.700 1.700 1.700 peak 522 spectrum 1 weight .10000E+01 volume .11152E-02 ppm1 1.258 ppm2 7.695 CV 1
ASSI { 1218}
(( segid "A " and resid 37 and name HB3 ))
(( segid "A " and resid 37 and name HA ))
2.900 1.100 1.100 peak 1218 spectrum 1 weight .10000E+01 volume .20222E-02 ppm1 3.001 ppm2 4.031 CV 1
ASSI { 987}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 48 and name HZ3 ))
2.500 .800 .800 peak 987 spectrum 1 weight .10000E+01 volume .52806E-02 ppm1 1.812 ppm2 6.431 CV 1
ASSI { 666}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 47 and name H ))
4.400 2.500 1.600 peak 666 spectrum 1 weight .10000E+01 volume .51061E-03 ppm1 3.198 ppm2 7.949 CV 1
ASSI { 585}
(( segid "A " and resid 66 and name HB2 ))
(( segid "A " and resid 66 and name HA ))
3.700 1.700 1.700 peak 585 spectrum 1 weight .10000E+01 volume .56433E-03 ppm1 3.107 ppm2 4.928 CV 1
ASSI { 1575}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 5 and name HB2 ))
3.900 1.900 1.900 peak 1575 spectrum 1 weight .10000E+01 volume .16292E-02 ppm1 3.938 ppm2 2.368 CV 1
ASSI { 469}
(( segid "A " and resid 8 and name HD3 ))
( segid "A " and resid 77 and name HE% )
3.900 1.900 1.900 peak 469 spectrum 1 weight .10000E+01 volume .66175E-03 ppm1 2.923 ppm2 6.732 CV 1
ASSI { 1041}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name HE2 ))
1.600 .300 .600 peak 1041 spectrum 1 weight .10000E+01 volume .10333E-01 ppm1 1.927 ppm2 1.245 CV 1
ASSI { 694}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 62 and name HG2 ))
2.600 .800 .800 peak 694 spectrum 1 weight .10000E+01 volume .62247E-02 ppm1 1.915 ppm2 2.653 CV 1
ASSI { 1619}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 39 and name H ))
3.600 1.600 1.600 peak 1619 spectrum 1 weight .10000E+01 volume .73567E-03 ppm1 4.101 ppm2 7.795 CV 1
ASSI { 457}
( segid "A " and resid 15 and name HE% )
(( segid "B " and resid 143 and name HB3 ))
3.600 1.600 1.600 peak 457 spectrum 1 weight .10000E+01 volume .94730E-03 ppm1 6.347 ppm2 1.603 CV 1
OR { 457}
( segid "A " and resid 15 and name HE% )
(( segid "B " and resid 143 and name HG ))
ASSI { 1270}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 15 and name HB3 ))
2.900 1.100 1.100 peak 1270 spectrum 1 weight .10000E+01 volume .18173E-02 ppm1 5.813 ppm2 2.364 CV 1
OR { 1270}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 15 and name HB2 ))
ASSI { 1530}
(( segid "A " and resid 79 and name HD3 ))
(( segid "A " and resid 78 and name HB ))
4.300 2.400 1.700 peak 1530 spectrum 1 weight .10000E+01 volume .90360E-03 ppm1 3.508 ppm2 1.661 CV 1
ASSI { 638}
(( segid "A " and resid 56 and name HD2 ))
(( segid "A " and resid 56 and name HE3 ))
2.800 1.000 1.000 peak 638 spectrum 1 weight .10000E+01 volume .12597E-02 ppm1 .868 ppm2 1.905 CV 1
ASSI { 1361}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 12 and name H ))
4.000 2.000 2.000 peak 1361 spectrum 1 weight .10000E+01 volume .82973E-03 ppm1 1.187 ppm2 8.982 CV 1
ASSI { 428}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 79 and name HB2 ))
4.200 2.200 1.800 peak 428 spectrum 1 weight .10000E+01 volume .59124E-03 ppm1 7.086 ppm2 2.350 CV 1
ASSI { 1187}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 6 and name H ))
4.300 2.300 1.700 peak 1187 spectrum 1 weight .10000E+01 volume .52068E-03 ppm1 3.940 ppm2 8.356 CV 1
ASSI { 567}
( segid "A " and resid 19 and name HG2%)
( segid "A " and resid 18 and name HD% )
3.000 1.100 1.100 peak 567 spectrum 1 weight .10000E+01 volume .19450E-02 ppm1 .289 ppm2 6.383 CV 1
ASSI { 108}
(( segid "A " and resid 75 and name HG2 ))
(( segid "A " and resid 75 and name H ))
2.700 2.700 3.300 peak 108 spectrum 1 weight .10000E+01 volume .27108E-02 ppm1 1.680 ppm2 7.514 CV 1
ASSI { 290}
(( segid "A " and resid 78 and name HG13))
(( segid "A " and resid 77 and name HA ))
4.000 2.000 2.000 peak 290 spectrum 1 weight .10000E+01 volume .52404E-03 ppm1 1.025 ppm2 4.504 CV 1
ASSI { 1103}
(( segid "A " and resid 11 and name HG2 ))
(( segid "A " and resid 11 and name HB2 ))
2.600 .800 .800 peak 1103 spectrum 1 weight .10000E+01 volume .40075E-02 ppm1 .858 ppm2 1.524 CV 1
OR { 1103}
(( segid "A " and resid 11 and name HG2 ))
(( segid "A " and resid 11 and name HD3 ))
OR { 1103}
(( segid "A " and resid 11 and name HG2 ))
(( segid "A " and resid 11 and name HB3 ))
ASSI { 127}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 7 and name HG3 ))
3.200 1.300 1.300 peak 127 spectrum 1 weight .10000E+01 volume .12026E-02 ppm1 6.736 ppm2 1.053 CV 1
ASSI { 880}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 39 and name H ))
3.400 1.500 1.500 peak 880 spectrum 1 weight .10000E+01 volume .22977E-02 ppm1 2.210 ppm2 7.799 CV 1
ASSI { 507}
(( segid "A " and resid 78 and name HB ))
(( segid "A " and resid 78 and name HA ))
2.600 .800 .800 peak 507 spectrum 1 weight .10000E+01 volume .38832E-02 ppm1 1.660 ppm2 4.285 CV 1
ASSI { 1377}
(( segid "A " and resid 61 and name HB3 ))
(( segid "A " and resid 62 and name H ))
3.300 1.400 1.400 peak 1377 spectrum 1 weight .10000E+01 volume .67854E-03 ppm1 2.774 ppm2 7.387 CV 1
ASSI { 1099}
(( segid "A " and resid 78 and name HG12))
(( segid "A " and resid 78 and name HG13))
1.400 .200 .800 peak 1099 spectrum 1 weight .10000E+01 volume .30790E-01 ppm1 1.438 ppm2 1.023 CV 1
ASSI { 1344}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 25 and name HG2 ))
1.900 .400 .400 peak 1344 spectrum 1 weight .10000E+01 volume .16880E-01 ppm1 2.136 ppm2 2.320 CV 1
ASSI { 1131}
(( segid "A " and resid 35 and name HA ))
( segid "A " and resid 35 and name HG1%)
2.700 .900 .900 peak 1131 spectrum 1 weight .10000E+01 volume .46324E-02 ppm1 3.983 ppm2 .538 CV 1
ASSI { 294}
(( segid "A " and resid 11 and name HD3 ))
(( segid "A " and resid 11 and name HE3 ))
3.400 1.400 1.400 peak 294 spectrum 1 weight .10000E+01 volume .90696E-03 ppm1 1.504 ppm2 2.565 CV 1
ASSI { 1484}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 11 and name HB3 ))
2.600 .900 .900 peak 1484 spectrum 1 weight .10000E+01 volume .33189E-02 ppm1 1.180 ppm2 1.526 CV 1
OR { 1484}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 11 and name HD3 ))
OR { 1484}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 11 and name HB2 ))
ASSI { 498}
(( segid "A " and resid 11 and name HD3 ))
( segid "A " and resid 70 and name HD% )
4.300 2.300 1.700 peak 498 spectrum 1 weight .10000E+01 volume .40646E-03 ppm1 1.501 ppm2 7.219 CV 1
ASSI { 729}
(( segid "A " and resid 8 and name HD3 ))
(( segid "A " and resid 8 and name HB2 ))
4.400 2.400 1.600 peak 729 spectrum 1 weight .10000E+01 volume .61810E-03 ppm1 2.941 ppm2 2.407 CV 1
ASSI { 1422}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 8 and name HD2 ))
3.900 1.900 1.900 peak 1422 spectrum 1 weight .10000E+01 volume .66511E-03 ppm1 6.741 ppm2 3.320 CV 1
ASSI { 1441}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 20 and name HG2 ))
4.000 2.000 2.000 peak 1441 spectrum 1 weight .10000E+01 volume .83644E-03 ppm1 .820 ppm2 2.242 CV 1
OR { 1441}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 20 and name HG3 ))
ASSI { 449}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HB2 ))
2.600 .900 .900 peak 449 spectrum 1 weight .10000E+01 volume .67686E-02 ppm1 4.505 ppm2 2.361 CV 1
ASSI { 538}
(( segid "A " and resid 8 and name HG3 ))
(( segid "A " and resid 7 and name HA ))
5.000 3.100 1.000 peak 538 spectrum 1 weight .10000E+01 volume .50725E-03 ppm1 1.533 ppm2 3.841 CV 1
ASSI { 358}
(( segid "A " and resid 66 and name HB2 ))
(( segid "A " and resid 63 and name HA ))
3.300 1.400 1.400 peak 358 spectrum 1 weight .10000E+01 volume .81294E-03 ppm1 3.108 ppm2 4.346 CV 1
ASSI { 223}
(( segid "A " and resid 9 and name HD3 ))
(( segid "A " and resid 9 and name HG3 ))
2.500 .800 .800 peak 223 spectrum 1 weight .10000E+01 volume .39403E-02 ppm1 3.201 ppm2 1.684 CV 1
ASSI { 817}
(( segid "A " and resid 18 and name HA ))
( segid "A " and resid 59 and name HE% )
3.600 1.600 1.600 peak 817 spectrum 1 weight .10000E+01 volume .85659E-03 ppm1 3.740 ppm2 7.753 CV 1
OR { 817}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 59 and name HZ ))
ASSI { 1432}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name HA ))
3.500 1.500 1.500 peak 1432 spectrum 1 weight .10000E+01 volume .89353E-03 ppm1 6.963 ppm2 4.024 CV 1
ASSI { 224}
(( segid "A " and resid 49 and name HE3 ))
( segid "B " and resid 143 and name HD1%)
2.700 .900 .900 peak 224 spectrum 1 weight .10000E+01 volume .26672E-02 ppm1 2.939 ppm2 .869 CV 1
OR { 224}
(( segid "A " and resid 49 and name HE2 ))
( segid "B " and resid 143 and name HD1%)
ASSI { 671}
(( segid "A " and resid 73 and name HG3 ))
( segid "A " and resid 74 and name HE% )
3.200 1.300 1.300 peak 671 spectrum 1 weight .10000E+01 volume .19685E-02 ppm1 2.643 ppm2 1.993 CV 1
OR { 671}
(( segid "A " and resid 73 and name HG3 ))
(( segid "A " and resid 74 and name HG2 ))
ASSI { 1274}
( segid "A " and resid 70 and name HE% )
(( segid "A " and resid 11 and name HE3 ))
3.400 1.400 1.400 peak 1274 spectrum 1 weight .10000E+01 volume .70880E-03 ppm1 6.814 ppm2 2.549 CV 1
ASSI { 1336}
(( segid "A " and resid 8 and name HB2 ))
( segid "A " and resid 70 and name HD% )
3.900 1.900 1.900 peak 1336 spectrum 1 weight .10000E+01 volume .49046E-03 ppm1 2.391 ppm2 7.199 CV 1
ASSI { 1460}
(( segid "A " and resid 18 and name HA ))
( segid "A " and resid 18 and name HD% )
3.300 1.300 1.300 peak 1460 spectrum 1 weight .10000E+01 volume .13806E-02 ppm1 3.743 ppm2 6.440 CV 1
ASSI { 555}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 5 and name HG2 ))
2.200 .600 .600 peak 555 spectrum 1 weight .10000E+01 volume .95065E-02 ppm1 3.940 ppm2 2.053 CV 1
OR { 555}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 5 and name HG3 ))
ASSI { 716}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HB3 ))
2.800 1.000 1.000 peak 716 spectrum 1 weight .10000E+01 volume .20088E-02 ppm1 3.875 ppm2 2.064 CV 1
OR { 716}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HB2 ))
ASSI { 199}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HB3 ))
2.200 .600 .600 peak 199 spectrum 1 weight .10000E+01 volume .11035E-01 ppm1 4.462 ppm2 2.006 CV 1
OR { 199}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HG3 ))
ASSI { 1073}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 25 and name HB2 ))
2.700 .900 .900 peak 1073 spectrum 1 weight .10000E+01 volume .33021E-02 ppm1 4.120 ppm2 2.180 CV 1
OR { 1073}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 25 and name HB3 ))
ASSI { 1069}
(( segid "A " and resid 31 and name HD2 ))
(( segid "A " and resid 30 and name HA ))
2.500 .800 .800 peak 1069 spectrum 1 weight .10000E+01 volume .33357E-02 ppm1 3.299 ppm2 4.992 CV 1
ASSI { 1120}
(( segid "A " and resid 18 and name HB3 ))
( segid "A " and resid 18 and name HD% )
3.100 1.200 1.200 peak 1120 spectrum 1 weight .10000E+01 volume .91032E-03 ppm1 2.587 ppm2 6.433 CV 1
ASSI { 686}
(( segid "A " and resid 45 and name HB3 ))
(( segid "A " and resid 45 and name H ))
2.700 .900 .900 peak 686 spectrum 1 weight .10000E+01 volume .20491E-02 ppm1 4.080 ppm2 8.375 CV 1
ASSI { 1508}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 77 and name HB3 ))
2.400 .700 .700 peak 1508 spectrum 1 weight .10000E+01 volume .59694E-02 ppm1 7.084 ppm2 2.943 CV 1
ASSI { 867}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 63 and name H ))
3.400 1.500 1.500 peak 867 spectrum 1 weight .10000E+01 volume .73567E-03 ppm1 1.697 ppm2 7.973 CV 1
ASSI { 196}
(( segid "A " and resid 47 and name HD2 ))
( segid "A " and resid 18 and name HE% )
3.900 1.900 1.900 peak 196 spectrum 1 weight .10000E+01 volume .59459E-03 ppm1 3.208 ppm2 7.408 CV 1
ASSI { 268}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 78 and name HG13))
1.800 .400 .400 peak 268 spectrum 1 weight .10000E+01 volume .30750E-01 ppm1 .797 ppm2 1.010 CV 1
ASSI { 927}
(( segid "A " and resid 17 and name HB2 ))
( segid "A " and resid 17 and name HE% )
3.900 1.900 1.900 peak 927 spectrum 1 weight .10000E+01 volume .15418E-02 ppm1 3.386 ppm2 7.341 CV 1
ASSI { 754}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 78 and name HG12))
2.200 2.200 3.800 peak 754 spectrum 1 weight .10000E+01 volume .81192E-02 ppm1 .801 ppm2 1.433 CV 1
ASSI { 1408}
(( segid "A " and resid 18 and name HA ))
( segid "A " and resid 21 and name HG2%)
3.300 1.300 1.300 peak 1408 spectrum 1 weight .10000E+01 volume .78939E-03 ppm1 3.728 ppm2 1.558 CV 1
ASSI { 933}
( segid "A " and resid 53 and name HB% )
(( segid "A " and resid 56 and name H ))
4.100 2.100 1.900 peak 933 spectrum 1 weight .10000E+01 volume .89017E-03 ppm1 1.428 ppm2 8.128 CV 1
ASSI { 296}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HE2 ))
4.000 2.000 2.000 peak 296 spectrum 1 weight .10000E+01 volume .12160E-02 ppm1 1.334 ppm2 2.796 CV 1
ASSI { 767}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 62 and name HB3 ))
3.000 3.000 3.000 peak 767 spectrum 1 weight .10000E+01 volume .59124E-03 ppm1 1.777 ppm2 .498 CV 1
ASSI { 1092}
(( segid "A " and resid 63 and name HA ))
( segid "A " and resid 63 and name HB% )
2.600 .800 .800 peak 1092 spectrum 1 weight .10000E+01 volume .37858E-02 ppm1 4.397 ppm2 1.781 CV 1
ASSI { 1157}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HG2 ))
2.800 1.000 1.000 peak 1157 spectrum 1 weight .10000E+01 volume .13706E-02 ppm1 3.848 ppm2 1.342 CV 1
ASSI { 703}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 6 and name HB2 ))
4.500 2.500 1.500 peak 703 spectrum 1 weight .10000E+01 volume .65839E-03 ppm1 3.937 ppm2 1.860 CV 1
ASSI { 1592}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 78 and name HG12))
2.800 1.000 1.000 peak 1592 spectrum 1 weight .10000E+01 volume .45989E-02 ppm1 4.278 ppm2 1.446 CV 1
ASSI { 882}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 11 and name HG3 ))
3.300 1.300 1.300 peak 882 spectrum 1 weight .10000E+01 volume .14008E-02 ppm1 2.555 ppm2 1.176 CV 1
ASSI { 20}
(( segid "A " and resid 8 and name HG2 ))
(( segid "A " and resid 74 and name HA ))
4.000 2.000 2.000 peak 20 spectrum 1 weight .10000E+01 volume .74910E-03 ppm1 1.625 ppm2 4.445 CV 1
ASSI { 1382}
(( segid "A " and resid 47 and name HG3 ))
(( segid "A " and resid 47 and name H ))
3.700 1.700 1.700 peak 1382 spectrum 1 weight .10000E+01 volume .11858E-02 ppm1 1.930 ppm2 7.963 CV 1
ASSI { 1292}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 20 and name HA ))
4.000 2.000 2.000 peak 1292 spectrum 1 weight .10000E+01 volume .90024E-03 ppm1 1.189 ppm2 3.863 CV 1
ASSI { 1316}
(( segid "A " and resid 8 and name HG3 ))
(( segid "A " and resid 74 and name HA ))
3.800 1.800 1.800 peak 1316 spectrum 1 weight .10000E+01 volume .72559E-03 ppm1 1.537 ppm2 4.455 CV 1
ASSI { 1047}
(( segid "A " and resid 5 and name HB2 ))
(( segid "A " and resid 5 and name HD2 ))
3.400 1.500 1.500 peak 1047 spectrum 1 weight .10000E+01 volume .27142E-02 ppm1 2.357 ppm2 3.912 CV 1
OR { 1047}
(( segid "A " and resid 5 and name HB2 ))
(( segid "A " and resid 5 and name HD3 ))
ASSI { 804}
(( segid "A " and resid 18 and name HZ ))
( segid "A " and resid 18 and name HE% )
2.800 .900 .900 peak 804 spectrum 1 weight .10000E+01 volume .24757E-02 ppm1 7.101 ppm2 7.402 CV 1
ASSI { 1474}
(( segid "A " and resid 71 and name HB2 ))
(( segid "A " and resid 71 and name HA ))
3.200 1.300 1.300 peak 1474 spectrum 1 weight .10000E+01 volume .18509E-02 ppm1 2.038 ppm2 3.784 CV 1
ASSI { 1392}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 67 and name H ))
3.400 1.400 1.400 peak 1392 spectrum 1 weight .10000E+01 volume .10077E-02 ppm1 1.783 ppm2 8.202 CV 1
ASSI { 1468}
( segid "A " and resid 77 and name HE% )
( segid "A " and resid 78 and name HG2%)
4.500 2.500 1.500 peak 1468 spectrum 1 weight .10000E+01 volume .50053E-03 ppm1 6.730 ppm2 .803 CV 1
OR { 1468}
( segid "A " and resid 77 and name HE% )
( segid "A " and resid 78 and name HD1%)
ASSI { 345}
(( segid "A " and resid 8 and name HG3 ))
(( segid "A " and resid 8 and name HD2 ))
3.600 1.600 1.600 peak 345 spectrum 1 weight .10000E+01 volume .10649E-02 ppm1 1.540 ppm2 3.327 CV 1
ASSI { 233}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HD3 ))
2.400 .700 .700 peak 233 spectrum 1 weight .10000E+01 volume .28486E-02 ppm1 3.852 ppm2 2.927 CV 1
ASSI { 746}
(( segid "A " and resid 8 and name HG3 ))
(( segid "A " and resid 8 and name HB2 ))
3.500 1.500 1.500 peak 746 spectrum 1 weight .10000E+01 volume .12396E-02 ppm1 1.537 ppm2 2.378 CV 1
ASSI { 115}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 58 and name HG2 ))
2.300 .700 .700 peak 115 spectrum 1 weight .10000E+01 volume .72524E-02 ppm1 1.915 ppm2 .841 CV 1
OR { 115}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 58 and name HG3 ))
ASSI { 1511}
( segid "A " and resid 21 and name HG2%)
( segid "A " and resid 18 and name HD% )
3.800 1.800 1.800 peak 1511 spectrum 1 weight .10000E+01 volume .64160E-03 ppm1 1.549 ppm2 6.437 CV 1
ASSI { 1228}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HG2 ))
1.500 .300 .700 peak 1228 spectrum 1 weight .10000E+01 volume .23024E-01 ppm1 1.095 ppm2 1.308 CV 1
OR { 1228}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HB2 ))
ASSI { 748}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 12 and name HB3 ))
2.800 1.000 1.000 peak 748 spectrum 1 weight .10000E+01 volume .25059E-02 ppm1 2.143 ppm2 1.381 CV 1
ASSI { 1540}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 51 and name HA ))
3.200 1.300 1.300 peak 1540 spectrum 1 weight .10000E+01 volume .79275E-03 ppm1 1.820 ppm2 4.203 CV 1
ASSI { 1090}
(( segid "A " and resid 31 and name HD3 ))
(( segid "A " and resid 30 and name HA ))
2.500 .800 .800 peak 1090 spectrum 1 weight .10000E+01 volume .39840E-02 ppm1 3.551 ppm2 4.992 CV 1
ASSI { 667}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 62 and name HG3 ))
3.300 1.400 1.400 peak 667 spectrum 1 weight .10000E+01 volume .59124E-03 ppm1 1.713 ppm2 2.184 CV 1
ASSI { 328}
( segid "A " and resid 19 and name HG2%)
( segid "A " and resid 19 and name HG1%)
2.100 .600 .600 peak 328 spectrum 1 weight .10000E+01 volume .13823E-01 ppm1 .287 ppm2 .822 CV 1
ASSI { 1100}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 56 and name HG3 ))
3.200 1.300 1.300 peak 1100 spectrum 1 weight .10000E+01 volume .12429E-02 ppm1 1.246 ppm2 -.017 CV 1
ASSI { 240}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 83 and name HG2 ))
2.500 .800 .800 peak 240 spectrum 1 weight .10000E+01 volume .57811E-02 ppm1 1.877 ppm2 2.187 CV 1
OR { 240}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 83 and name HG3 ))
OR { 240}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 83 and name HG2 ))
OR { 240}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 83 and name HG3 ))
ASSI { 1040}
(( segid "A " and resid 47 and name HB2 ))
(( segid "A " and resid 47 and name H ))
3.000 1.100 1.100 peak 1040 spectrum 1 weight .10000E+01 volume .14680E-02 ppm1 2.149 ppm2 7.960 CV 1
ASSI { 109}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HG2 ))
2.700 .900 .900 peak 109 spectrum 1 weight .10000E+01 volume .49580E-02 ppm1 4.130 ppm2 1.736 CV 1
OR { 109}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HD2 ))
OR { 109}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HD3 ))
ASSI { 1552}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 64 and name HB3 ))
2.700 .900 .900 peak 1552 spectrum 1 weight .10000E+01 volume .41049E-02 ppm1 4.466 ppm2 2.024 CV 1
OR { 1552}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 1234}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 52 and name HB2 ))
2.300 .700 .700 peak 1234 spectrum 1 weight .10000E+01 volume .28385E-02 ppm1 4.069 ppm2 4.369 CV 1
OR { 1234}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 52 and name HA ))
ASSI { 302}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 45 and name HA ))
3.200 1.300 1.300 peak 302 spectrum 1 weight .10000E+01 volume .16594E-02 ppm1 6.351 ppm2 4.264 CV 1
ASSI { 847}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 66 and name H ))
2.600 .900 .900 peak 847 spectrum 1 weight .10000E+01 volume .41250E-02 ppm1 1.538 ppm2 8.368 CV 1
ASSI { 744}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 43 and name H ))
2.900 1.000 1.000 peak 744 spectrum 1 weight .10000E+01 volume .22406E-02 ppm1 1.789 ppm2 7.789 CV 1
OR { 744}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 43 and name H ))
ASSI { 513}
(( segid "A " and resid 57 and name HA3 ))
(( segid "A " and resid 60 and name HB2 ))
4.700 2.700 1.300 peak 513 spectrum 1 weight .10000E+01 volume .66847E-03 ppm1 4.016 ppm2 2.300 CV 1
OR { 513}
(( segid "A " and resid 57 and name HA3 ))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 346}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 23 and name HA ))
3.400 1.400 1.400 peak 346 spectrum 1 weight .10000E+01 volume .11018E-02 ppm1 6.805 ppm2 3.748 CV 1
ASSI { 24}
(( segid "A " and resid 17 and name HB3 ))
( segid "A " and resid 17 and name HE% )
4.100 2.100 1.900 peak 24 spectrum 1 weight .10000E+01 volume .12194E-02 ppm1 3.657 ppm2 7.324 CV 1
ASSI { 643}
(( segid "A " and resid 23 and name HG2 ))
( segid "A " and resid 40 and name HE% )
4.000 2.000 2.000 peak 643 spectrum 1 weight .10000E+01 volume .55761E-03 ppm1 1.382 ppm2 6.873 CV 1
OR { 643}
(( segid "A " and resid 23 and name HG2 ))
( segid "A " and resid 40 and name HD% )
ASSI { 1573}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 40 and name H ))
4.400 2.500 1.600 peak 1573 spectrum 1 weight .10000E+01 volume .88681E-03 ppm1 2.206 ppm2 8.578 CV 1
ASSI { 583}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 52 and name HB3 ))
2.500 .800 .800 peak 583 spectrum 1 weight .10000E+01 volume .13336E-02 ppm1 4.344 ppm2 4.068 CV 1
ASSI { 1202}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 12 and name HB2 ))
3.000 1.100 1.100 peak 1202 spectrum 1 weight .10000E+01 volume .23581E-02 ppm1 4.390 ppm2 1.565 CV 1
ASSI { 1020}
(( segid "A " and resid 21 and name HA ))
( segid "A " and resid 21 and name HG2%)
3.000 1.100 1.100 peak 1020 spectrum 1 weight .10000E+01 volume .42023E-02 ppm1 4.132 ppm2 1.546 CV 1
ASSI { 879}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HB3 ))
3.200 1.200 1.200 peak 879 spectrum 1 weight .10000E+01 volume .14545E-02 ppm1 4.204 ppm2 1.647 CV 1
ASSI { 1497}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 59 and name H ))
4.300 2.300 1.700 peak 1497 spectrum 1 weight .10000E+01 volume .76924E-03 ppm1 .823 ppm2 7.299 CV 1
ASSI { 1444}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 79 and name HD3 ))
2.500 2.500 3.500 peak 1444 spectrum 1 weight .10000E+01 volume .16998E-02 ppm1 .796 ppm2 3.547 CV 1
OR { 1444}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 79 and name HD2 ))
ASSI { 1052}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 52 and name H ))
3.200 1.300 1.300 peak 1052 spectrum 1 weight .10000E+01 volume .11085E-02 ppm1 4.354 ppm2 9.003 CV 1
ASSI { 285}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 40 and name HZ ))
3.700 1.700 1.700 peak 285 spectrum 1 weight .10000E+01 volume .55761E-03 ppm1 2.952 ppm2 6.868 CV 1
OR { 285}
(( segid "A " and resid 22 and name HB3 ))
( segid "A " and resid 40 and name HE% )
ASSI { 728}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 79 and name HB2 ))
1.500 .300 .700 peak 728 spectrum 1 weight .10000E+01 volume .26665E-01 ppm1 1.882 ppm2 2.342 CV 1
ASSI { 1446}
(( segid "A " and resid 71 and name HG3 ))
(( segid "A " and resid 71 and name HG2 ))
1.700 .400 .500 peak 1446 spectrum 1 weight .10000E+01 volume .12604E-01 ppm1 2.410 ppm2 2.744 CV 1
ASSI { 1429}
(( segid "A " and resid 7 and name HD2 ))
(( segid "A " and resid 8 and name HD2 ))
3.800 1.800 1.800 peak 1429 spectrum 1 weight .10000E+01 volume .84988E-03 ppm1 1.646 ppm2 3.310 CV 1
OR { 1429}
(( segid "A " and resid 7 and name HD3 ))
(( segid "A " and resid 8 and name HD2 ))
ASSI { 1535}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 44 and name HB2 ))
3.200 1.300 1.300 peak 1535 spectrum 1 weight .10000E+01 volume .90024E-03 ppm1 3.750 ppm2 3.060 CV 1
ASSI { 721}
(( segid "A " and resid 64 and name HD3 ))
(( segid "A " and resid 61 and name HA ))
2.700 .900 .900 peak 721 spectrum 1 weight .10000E+01 volume .29662E-02 ppm1 1.777 ppm2 4.463 CV 1
OR { 721}
(( segid "A " and resid 64 and name HD2 ))
(( segid "A " and resid 61 and name HA ))
ASSI { 1077}
(( segid "A " and resid 58 and name HD2 ))
( segid "A " and resid 59 and name HE% )
3.300 1.400 1.400 peak 1077 spectrum 1 weight .10000E+01 volume .12765E-02 ppm1 1.475 ppm2 7.773 CV 1
OR { 1077}
(( segid "A " and resid 58 and name HD3 ))
( segid "A " and resid 59 and name HE% )
OR { 1077}
(( segid "A " and resid 58 and name HD3 ))
(( segid "A " and resid 59 and name HZ ))
ASSI { 422}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 41 and name H ))
3.000 1.100 1.100 peak 422 spectrum 1 weight .10000E+01 volume .22439E-02 ppm1 3.748 ppm2 8.566 CV 1
ASSI { 771}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 78 and name HG12))
4.300 2.300 1.700 peak 771 spectrum 1 weight .10000E+01 volume .12362E-02 ppm1 4.519 ppm2 1.418 CV 1
ASSI { 1031}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 28 and name HB3 ))
4.000 2.000 2.000 peak 1031 spectrum 1 weight .10000E+01 volume .72559E-03 ppm1 1.313 ppm2 1.897 CV 1
ASSI { 546}
(( segid "A " and resid 5 and name HB2 ))
(( segid "A " and resid 5 and name HB3 ))
1.500 .300 .700 peak 546 spectrum 1 weight .10000E+01 volume .40730E-01 ppm1 2.358 ppm2 1.993 CV 1
OR { 546}
(( segid "A " and resid 5 and name HB2 ))
(( segid "A " and resid 5 and name HG3 ))
OR { 546}
(( segid "A " and resid 5 and name HB2 ))
(( segid "A " and resid 5 and name HG2 ))
ASSI { 87}
( segid "A " and resid 35 and name HG2%)
( segid "A " and resid 40 and name HD% )
2.700 .900 .900 peak 87 spectrum 1 weight .10000E+01 volume .38160E-02 ppm1 .351 ppm2 6.892 CV 1
OR { 87}
( segid "A " and resid 35 and name HG2%)
( segid "A " and resid 40 and name HE% )
ASSI { 1000}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 12 and name HB3 ))
2.700 .900 .900 peak 1000 spectrum 1 weight .10000E+01 volume .22036E-02 ppm1 4.393 ppm2 1.343 CV 1
ASSI { 382}
( segid "A " and resid 62 and name HE% )
( segid "A " and resid 59 and name HE% )
3.000 1.100 1.100 peak 382 spectrum 1 weight .10000E+01 volume .33323E-02 ppm1 1.915 ppm2 7.735 CV 1
ASSI { 501}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HA ))
2.400 .700 .700 peak 501 spectrum 1 weight .10000E+01 volume .39638E-02 ppm1 1.334 ppm2 4.055 CV 1
ASSI { 321}
(( segid "A " and resid 59 and name HB3 ))
( segid "A " and resid 59 and name HD% )
3.400 1.500 1.500 peak 321 spectrum 1 weight .10000E+01 volume .71888E-03 ppm1 4.119 ppm2 7.570 CV 1
ASSI { 1625}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 11 and name HE2 ))
3.400 1.400 1.400 peak 1625 spectrum 1 weight .10000E+01 volume .15990E-02 ppm1 1.536 ppm2 2.781 CV 1
OR { 1625}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 11 and name HE2 ))
ASSI { 40}
( segid "A " and resid 74 and name HE% )
( segid "A " and resid 77 and name HE% )
2.800 1.000 1.000 peak 40 spectrum 1 weight .10000E+01 volume .38664E-02 ppm1 2.020 ppm2 6.769 CV 1
ASSI { 1600}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 26 and name HE1 ))
3.200 1.200 1.200 peak 1600 spectrum 1 weight .10000E+01 volume .14780E-02 ppm1 .534 ppm2 7.484 CV 1
ASSI { 431}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 15 and name HB3 ))
3.400 1.400 1.400 peak 431 spectrum 1 weight .10000E+01 volume .84316E-03 ppm1 2.890 ppm2 2.355 CV 1
OR { 431}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 15 and name HB2 ))
ASSI { 1220}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HD3 ))
2.300 .700 .700 peak 1220 spectrum 1 weight .10000E+01 volume .53848E-02 ppm1 .815 ppm2 1.479 CV 1
OR { 1220}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HD2 ))
ASSI { 751}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 80 and name HG2 ))
3.000 1.100 1.100 peak 751 spectrum 1 weight .10000E+01 volume .43770E-02 ppm1 4.404 ppm2 2.025 CV 1
OR { 751}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 80 and name HG3 ))
ASSI { 983}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 63 and name H ))
2.700 2.700 3.300 peak 983 spectrum 1 weight .10000E+01 volume .11891E-02 ppm1 1.915 ppm2 7.978 CV 1
ASSI { 347}
(( segid "A " and resid 74 and name HG2 ))
(( segid "A " and resid 74 and name HG3 ))
1.500 .300 .700 peak 347 spectrum 1 weight .10000E+01 volume .29652E-01 ppm1 1.987 ppm2 2.359 CV 1
ASSI { 725}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HB3 ))
3.000 1.100 1.100 peak 725 spectrum 1 weight .10000E+01 volume .13504E-02 ppm1 3.785 ppm2 .505 CV 1
ASSI { 39}
(( segid "A " and resid 23 and name HD2 ))
(( segid "A " and resid 23 and name HB2 ))
3.400 1.500 1.500 peak 39 spectrum 1 weight .10000E+01 volume .10749E-02 ppm1 2.655 ppm2 1.950 CV 1
ASSI { 408}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name H ))
3.700 1.800 1.800 peak 408 spectrum 1 weight .10000E+01 volume .60131E-03 ppm1 6.959 ppm2 7.684 CV 1
ASSI { 592}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 31 and name HD2 ))
2.900 1.100 1.100 peak 592 spectrum 1 weight .10000E+01 volume .35339E-02 ppm1 1.986 ppm2 3.297 CV 1
ASSI { 861}
(( segid "A " and resid 72 and name HD3 ))
(( segid "A " and resid 72 and name HG2 ))
2.200 .600 .600 peak 861 spectrum 1 weight .10000E+01 volume .78842E-02 ppm1 3.276 ppm2 1.748 CV 1
OR { 861}
(( segid "A " and resid 72 and name HD2 ))
(( segid "A " and resid 72 and name HG2 ))
ASSI { 578}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HB3 ))
1.700 .400 .500 peak 578 spectrum 1 weight .10000E+01 volume .88884E-02 ppm1 1.296 ppm2 1.532 CV 1
ASSI { 980}
(( segid "A " and resid 64 and name HE3 ))
(( segid "A " and resid 64 and name H ))
2.700 2.700 3.300 peak 980 spectrum 1 weight .10000E+01 volume .12093E-02 ppm1 3.022 ppm2 8.572 CV 1
OR { 980}
(( segid "A " and resid 64 and name HE2 ))
(( segid "A " and resid 64 and name H ))
ASSI { 614}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 21 and name HB ))
2.300 .700 .700 peak 614 spectrum 1 weight .10000E+01 volume .58854E-02 ppm1 1.549 ppm2 4.530 CV 1
ASSI { 236}
(( segid "A " and resid 12 and name HG2 ))
( segid "A " and resid 17 and name HE% )
4.400 2.400 1.600 peak 236 spectrum 1 weight .10000E+01 volume .53075E-03 ppm1 2.148 ppm2 7.327 CV 1
ASSI { 1577}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 67 and name H ))
3.200 1.300 1.300 peak 1577 spectrum 1 weight .10000E+01 volume .11824E-02 ppm1 4.136 ppm2 8.222 CV 1
ASSI { 399}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HG3 ))
1.600 .300 .600 peak 399 spectrum 1 weight .10000E+01 volume .14596E-01 ppm1 1.335 ppm2 1.060 CV 1
ASSI { 99}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 16 and name HA ))
3.300 1.300 1.300 peak 99 spectrum 1 weight .10000E+01 volume .16225E-02 ppm1 .286 ppm2 3.621 CV 1
ASSI { 1056}
(( segid "A " and resid 79 and name HD3 ))
(( segid "A " and resid 79 and name HB2 ))
3.900 1.900 1.900 peak 1056 spectrum 1 weight .10000E+01 volume .13201E-02 ppm1 3.498 ppm2 2.338 CV 1
ASSI { 72}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 55 and name HB2 ))
3.100 1.200 1.200 peak 72 spectrum 1 weight .10000E+01 volume .14411E-02 ppm1 2.531 ppm2 2.178 CV 1
OR { 72}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 55 and name HB2 ))
OR { 72}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 55 and name HB3 ))
OR { 72}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 1403}
( segid "A " and resid 21 and name HG2%)
( segid "A " and resid 59 and name HE% )
2.400 .700 .700 peak 1403 spectrum 1 weight .10000E+01 volume .57542E-02 ppm1 1.549 ppm2 7.758 CV 1
ASSI { 630}
(( segid "A " and resid 8 and name HG3 ))
(( segid "A " and resid 8 and name HA ))
3.700 1.700 1.700 peak 630 spectrum 1 weight .10000E+01 volume .78603E-03 ppm1 1.523 ppm2 4.229 CV 1
ASSI { 1536}
(( segid "A " and resid 28 and name HG3 ))
(( segid "A " and resid 28 and name HA ))
2.400 .700 .700 peak 1536 spectrum 1 weight .10000E+01 volume .66480E-02 ppm1 1.571 ppm2 3.990 CV 1
ASSI { 1029}
(( segid "A " and resid 56 and name HD2 ))
( segid "A " and resid 53 and name HB% )
3.300 1.400 1.400 peak 1029 spectrum 1 weight .10000E+01 volume .20793E-02 ppm1 .864 ppm2 1.481 CV 1
ASSI { 465}
(( segid "A " and resid 62 and name HG3 ))
(( segid "A " and resid 62 and name HA ))
3.400 1.400 1.400 peak 465 spectrum 1 weight .10000E+01 volume .18274E-02 ppm1 2.218 ppm2 3.784 CV 1
ASSI { 1251}
(( segid "A " and resid 71 and name HB2 ))
(( segid "A " and resid 68 and name HA ))
3.000 1.100 1.100 peak 1251 spectrum 1 weight .10000E+01 volume .12261E-02 ppm1 2.050 ppm2 4.280 CV 1
ASSI { 1606}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 9 and name HB3 ))
3.800 1.800 1.800 peak 1606 spectrum 1 weight .10000E+01 volume .16830E-02 ppm1 4.227 ppm2 1.758 CV 1
OR { 1606}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 9 and name HB2 ))
ASSI { 270}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HG2 ))
3.300 1.300 1.300 peak 270 spectrum 1 weight .10000E+01 volume .12765E-02 ppm1 3.752 ppm2 1.340 CV 1
OR { 270}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HG3 ))
ASSI { 467}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name HG3 ))
3.600 1.600 1.600 peak 467 spectrum 1 weight .10000E+01 volume .55426E-03 ppm1 6.957 ppm2 1.514 CV 1
ASSI { 587}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name HD2 ))
3.000 1.100 1.100 peak 587 spectrum 1 weight .10000E+01 volume .10850E-02 ppm1 -.022 ppm2 .827 CV 1
OR { 587}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name HD3 ))
ASSI { 128}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 42 and name H ))
3.200 1.300 1.300 peak 128 spectrum 1 weight .10000E+01 volume .16258E-02 ppm1 3.754 ppm2 7.480 CV 1
ASSI { 1601}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 17 and name HB2 ))
4.100 2.100 1.900 peak 1601 spectrum 1 weight .10000E+01 volume .61474E-03 ppm1 1.188 ppm2 3.400 CV 1
ASSI { 1345}
(( segid "A " and resid 31 and name HD2 ))
(( segid "A " and resid 31 and name HG2 ))
2.300 .700 .700 peak 1345 spectrum 1 weight .10000E+01 volume .46961E-02 ppm1 3.302 ppm2 1.924 CV 1
OR { 1345}
(( segid "A " and resid 31 and name HD2 ))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 961}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 56 and name HE3 ))
4.300 2.300 1.700 peak 961 spectrum 1 weight .10000E+01 volume .33256E-03 ppm1 1.796 ppm2 1.933 CV 1
ASSI { 57}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 59 and name HB3 ))
2.700 .900 .900 peak 57 spectrum 1 weight .10000E+01 volume .18576E-02 ppm1 4.461 ppm2 4.143 CV 1
ASSI { 854}
(( segid "A " and resid 26 and name HD2 ))
( segid "A " and resid 33 and name HB% )
3.800 1.900 1.900 peak 854 spectrum 1 weight .10000E+01 volume .90360E-03 ppm1 6.876 ppm2 1.448 CV 1
ASSI { 180}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 48 and name HA ))
4.300 2.300 1.700 peak 180 spectrum 1 weight .10000E+01 volume .51732E-03 ppm1 6.965 ppm2 4.342 CV 1
ASSI { 16}
(( segid "A " and resid 62 and name HG2 ))
(( segid "A " and resid 62 and name HB2 ))
3.800 1.800 1.800 peak 16 spectrum 1 weight .10000E+01 volume .83980E-03 ppm1 2.671 ppm2 1.676 CV 1
ASSI { 475}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HB3 ))
3.200 1.300 1.300 peak 475 spectrum 1 weight .10000E+01 volume .20625E-02 ppm1 4.223 ppm2 3.286 CV 1
ASSI { 636}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 51 and name HB3 ))
3.600 1.600 1.600 peak 636 spectrum 1 weight .10000E+01 volume .86666E-03 ppm1 4.342 ppm2 1.613 CV 1
ASSI { 1143}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name H ))
3.200 1.300 1.300 peak 1143 spectrum 1 weight .10000E+01 volume .11623E-02 ppm1 4.122 ppm2 8.363 CV 1
ASSI { 395}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 47 and name HD3 ))
1.700 .300 .500 peak 395 spectrum 1 weight .10000E+01 volume .11394E-01 ppm1 3.204 ppm2 3.391 CV 1
ASSI { 107}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 145 and name HG ))
3.500 1.500 1.500 peak 107 spectrum 1 weight .10000E+01 volume .83644E-03 ppm1 .822 ppm2 1.559 CV 1
OR { 107}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 145 and name HB2 ))
ASSI { 1568}
(( segid "A " and resid 79 and name HD2 ))
(( segid "A " and resid 78 and name HB ))
4.300 2.300 1.700 peak 1568 spectrum 1 weight .10000E+01 volume .73231E-03 ppm1 3.576 ppm2 1.661 CV 1
ASSI { 235}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HB3 ))
3.500 1.500 1.500 peak 235 spectrum 1 weight .10000E+01 volume .89017E-03 ppm1 4.106 ppm2 3.682 CV 1
ASSI { 1419}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 79 and name HD2 ))
2.400 .700 .700 peak 1419 spectrum 1 weight .10000E+01 volume .70443E-02 ppm1 .800 ppm2 3.547 CV 1
OR { 1419}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 79 and name HD3 ))
ASSI { 1160}
(( segid "A " and resid 71 and name HG2 ))
(( segid "A " and resid 71 and name HB3 ))
2.700 .900 .900 peak 1160 spectrum 1 weight .10000E+01 volume .25396E-02 ppm1 2.747 ppm2 2.153 CV 1
ASSI { 23}
(( segid "A " and resid 20 and name HB3 ))
( segid "A " and resid 12 and name HE% )
3.400 1.400 1.400 peak 23 spectrum 1 weight .10000E+01 volume .74238E-03 ppm1 2.076 ppm2 1.207 CV 1
OR { 23}
(( segid "A " and resid 20 and name HB2 ))
( segid "A " and resid 12 and name HE% )
ASSI { 1479}
(( segid "A " and resid 12 and name HB2 ))
( segid "A " and resid 12 and name HE% )
3.100 1.200 1.200 peak 1479 spectrum 1 weight .10000E+01 volume .18341E-02 ppm1 1.566 ppm2 1.194 CV 1
ASSI { 913}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 8 and name HD2 ))
3.900 1.900 1.900 peak 913 spectrum 1 weight .10000E+01 volume .91708E-03 ppm1 1.063 ppm2 3.307 CV 1
ASSI { 1445}
(( segid "A " and resid 47 and name HB3 ))
(( segid "A " and resid 18 and name HZ ))
3.400 1.400 1.400 peak 1445 spectrum 1 weight .10000E+01 volume .80958E-03 ppm1 2.251 ppm2 7.110 CV 1
ASSI { 106}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 50 and name HB ))
2.000 .500 .500 peak 106 spectrum 1 weight .10000E+01 volume .19423E-01 ppm1 1.262 ppm2 4.437 CV 1
OR { 106}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 50 and name HA ))
ASSI { 71}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name HG2 ))
3.500 1.500 1.500 peak 71 spectrum 1 weight .10000E+01 volume .87674E-03 ppm1 6.962 ppm2 1.723 CV 1
OR { 71}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name HD3 ))
OR { 71}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name HD2 ))
ASSI { 331}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HE2 ))
3.200 1.300 1.300 peak 331 spectrum 1 weight .10000E+01 volume .28788E-02 ppm1 .814 ppm2 2.790 CV 1
ASSI { 626}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HG3 ))
3.100 1.200 1.200 peak 626 spectrum 1 weight .10000E+01 volume .39101E-02 ppm1 4.189 ppm2 1.533 CV 1
ASSI { 1287}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name HD2 ))
2.500 .800 .800 peak 1287 spectrum 1 weight .10000E+01 volume .33524E-02 ppm1 1.927 ppm2 .841 CV 1
OR { 1287}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name HD3 ))
ASSI { 118}
(( segid "A " and resid 76 and name HB ))
( segid "A " and resid 76 and name HG2%)
2.100 .500 .500 peak 118 spectrum 1 weight .10000E+01 volume .15939E-01 ppm1 4.443 ppm2 1.207 CV 1
ASSI { 1181}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 70 and name H ))
4.000 2.000 2.000 peak 1181 spectrum 1 weight .10000E+01 volume .94730E-03 ppm1 7.212 ppm2 8.600 CV 1
ASSI { 1193}
(( segid "A " and resid 80 and name HD2 ))
(( segid "A " and resid 80 and name HG3 ))
2.000 .500 .500 peak 1193 spectrum 1 weight .10000E+01 volume .13185E-01 ppm1 3.638 ppm2 2.028 CV 1
OR { 1193}
(( segid "A " and resid 80 and name HD2 ))
(( segid "A " and resid 80 and name HG2 ))
ASSI { 719}
(( segid "A " and resid 48 and name HB3 ))
(( segid "A " and resid 48 and name H ))
3.200 1.300 1.300 peak 719 spectrum 1 weight .10000E+01 volume .65839E-03 ppm1 3.349 ppm2 8.731 CV 1
ASSI { 319}
( segid "A " and resid 19 and name HG2%)
( segid "A " and resid 18 and name HE% )
4.100 2.100 1.900 peak 319 spectrum 1 weight .10000E+01 volume .34264E-03 ppm1 .280 ppm2 7.368 CV 1
ASSI { 520}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 7 and name HB2 ))
2.200 .600 .600 peak 520 spectrum 1 weight .10000E+01 volume .80216E-02 ppm1 1.059 ppm2 1.636 CV 1
OR { 520}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 7 and name HD3 ))
OR { 520}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 7 and name HD2 ))
OR { 520}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 7 and name HB3 ))
ASSI { 125}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 51 and name HG2 ))
2.900 1.000 1.000 peak 125 spectrum 1 weight .10000E+01 volume .16225E-02 ppm1 1.812 ppm2 2.535 CV 1
OR { 125}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 51 and name HG3 ))
ASSI { 1095}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name HG3 ))
2.800 1.000 1.000 peak 1095 spectrum 1 weight .10000E+01 volume .11522E-02 ppm1 1.925 ppm2 -.018 CV 1
ASSI { 872}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HB3 ))
2.200 .600 .600 peak 872 spectrum 1 weight .10000E+01 volume .97619E-02 ppm1 1.335 ppm2 1.637 CV 1
OR { 872}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HD2 ))
OR { 872}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HD3 ))
OR { 872}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HB2 ))
ASSI { 736}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 55 and name HB2 ))
3.500 1.600 1.600 peak 736 spectrum 1 weight .10000E+01 volume .98087E-03 ppm1 4.068 ppm2 2.156 CV 1
ASSI { 1208}
(( segid "A " and resid 78 and name HG13))
(( segid "A " and resid 79 and name HD3 ))
4.200 2.200 1.800 peak 1208 spectrum 1 weight .10000E+01 volume .95065E-03 ppm1 1.022 ppm2 3.532 CV 1
ASSI { 238}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 59 and name HB3 ))
3.200 1.300 1.300 peak 238 spectrum 1 weight .10000E+01 volume .27780E-02 ppm1 1.916 ppm2 4.112 CV 1
ASSI { 160}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD3 ))
3.400 1.400 1.400 peak 160 spectrum 1 weight .10000E+01 volume .14008E-02 ppm1 4.464 ppm2 3.949 CV 1
ASSI { 385}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HG3 ))
2.300 .700 .700 peak 385 spectrum 1 weight .10000E+01 volume .44575E-02 ppm1 1.295 ppm2 1.095 CV 1
ASSI { 537}
(( segid "A " and resid 12 and name HA ))
( segid "A " and resid 17 and name HE% )
3.700 1.700 1.700 peak 537 spectrum 1 weight .10000E+01 volume .11623E-02 ppm1 4.391 ppm2 7.298 CV 1
ASSI { 356}
( segid "A " and resid 76 and name HG2%)
(( segid "A " and resid 76 and name H ))
2.800 .900 .900 peak 356 spectrum 1 weight .10000E+01 volume .30400E-02 ppm1 1.201 ppm2 7.338 CV 1
ASSI { 51}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HG3 ))
2.700 .900 .900 peak 51 spectrum 1 weight .10000E+01 volume .34532E-02 ppm1 3.158 ppm2 1.707 CV 1
OR { 51}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HB2 ))
OR { 51}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HB3 ))
ASSI { 1462}
(( segid "A " and resid 23 and name HD2 ))
(( segid "A " and resid 23 and name HA ))
4.200 2.200 1.800 peak 1462 spectrum 1 weight .10000E+01 volume .60467E-03 ppm1 2.656 ppm2 3.752 CV 1
ASSI { 905}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 79 and name HA ))
2.700 .900 .900 peak 905 spectrum 1 weight .10000E+01 volume .25429E-02 ppm1 6.737 ppm2 4.421 CV 1
ASSI { 66}
(( segid "A " and resid 58 and name HE2 ))
( segid "A " and resid 59 and name HE% )
2.900 1.000 1.000 peak 66 spectrum 1 weight .10000E+01 volume .24589E-02 ppm1 2.795 ppm2 7.784 CV 1
OR { 66}
(( segid "A " and resid 58 and name HE2 ))
(( segid "A " and resid 59 and name HZ ))
ASSI { 390}
(( segid "A " and resid 47 and name HG2 ))
(( segid "A " and resid 47 and name HD3 ))
2.700 .900 .900 peak 390 spectrum 1 weight .10000E+01 volume .23984E-02 ppm1 1.863 ppm2 3.357 CV 1
ASSI { 846}
(( segid "A " and resid 63 and name HA ))
(( segid "A " and resid 63 and name H ))
3.200 1.300 1.300 peak 846 spectrum 1 weight .10000E+01 volume .11354E-02 ppm1 4.397 ppm2 7.985 CV 1
ASSI { 234}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HA ))
2.600 .800 .800 peak 234 spectrum 1 weight .10000E+01 volume .33256E-02 ppm1 1.722 ppm2 4.070 CV 1
ASSI { 965}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HB3 ))
3.900 1.900 1.900 peak 965 spectrum 1 weight .10000E+01 volume .58448E-03 ppm1 4.346 ppm2 3.319 CV 1
ASSI { 608}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 64 and name HD3 ))
2.800 1.000 1.000 peak 608 spectrum 1 weight .10000E+01 volume .30065E-02 ppm1 4.466 ppm2 1.767 CV 1
OR { 608}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 64 and name HD2 ))
OR { 608}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 64 and name HG2 ))
ASSI { 1616}
(( segid "A " and resid 23 and name HB2 ))
( segid "A " and resid 40 and name HE% )
3.600 1.600 1.600 peak 1616 spectrum 1 weight .10000E+01 volume .53411E-03 ppm1 1.959 ppm2 6.843 CV 1
OR { 1616}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 40 and name HZ ))
ASSI { 178}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 51 and name H ))
2.600 2.600 3.400 peak 178 spectrum 1 weight .10000E+01 volume .15385E-02 ppm1 1.262 ppm2 7.133 CV 1
ASSI { 1197}
(( segid "A " and resid 8 and name HD3 ))
( segid "A " and resid 74 and name HE% )
3.600 1.700 1.700 peak 1197 spectrum 1 weight .10000E+01 volume .54083E-03 ppm1 2.917 ppm2 2.022 CV 1
ASSI { 972}
(( segid "A " and resid 11 and name HD3 ))
(( segid "A " and resid 11 and name HE2 ))
2.200 .600 .600 peak 972 spectrum 1 weight .10000E+01 volume .71415E-02 ppm1 1.479 ppm2 2.787 CV 1
ASSI { 1347}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 34 and name H ))
3.200 1.300 1.300 peak 1347 spectrum 1 weight .10000E+01 volume .11253E-02 ppm1 4.441 ppm2 8.574 CV 1
ASSI { 609}
(( segid "A " and resid 23 and name HG3 ))
(( segid "A " and resid 23 and name HD3 ))
2.900 1.000 1.000 peak 609 spectrum 1 weight .10000E+01 volume .16359E-02 ppm1 1.293 ppm2 2.695 CV 1
OR { 609}
(( segid "A " and resid 23 and name HG3 ))
(( segid "A " and resid 23 and name HD2 ))
ASSI { 1110}
( segid "A " and resid 70 and name HE% )
( segid "A " and resid 70 and name HD% )
2.200 .600 .600 peak 1110 spectrum 1 weight .10000E+01 volume .88818E-02 ppm1 6.814 ppm2 7.198 CV 1
ASSI { 478}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 62 and name HB3 ))
3.000 3.000 3.000 peak 478 spectrum 1 weight .10000E+01 volume .61138E-03 ppm1 1.532 ppm2 .524 CV 1
ASSI { 717}
(( segid "A " and resid 67 and name HE2 ))
(( segid "A " and resid 67 and name HB3 ))
3.300 1.400 1.400 peak 717 spectrum 1 weight .10000E+01 volume .14512E-02 ppm1 3.094 ppm2 1.981 CV 1
OR { 717}
(( segid "A " and resid 67 and name HE3 ))
(( segid "A " and resid 67 and name HB3 ))
ASSI { 1522}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HG2 ))
2.400 .700 .700 peak 1522 spectrum 1 weight .10000E+01 volume .33357E-02 ppm1 1.668 ppm2 1.340 CV 1
ASSI { 257}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 60 and name H ))
3.300 1.400 1.400 peak 257 spectrum 1 weight .10000E+01 volume .80622E-03 ppm1 4.455 ppm2 8.404 CV 1
ASSI { 241}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 34 and name HB3 ))
4.300 2.300 1.700 peak 241 spectrum 1 weight .10000E+01 volume .81630E-03 ppm1 1.429 ppm2 3.825 CV 1
OR { 241}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 34 and name HB2 ))
ASSI { 329}
(( segid "A " and resid 47 and name HD3 ))
(( segid "A " and resid 47 and name HB2 ))
3.100 1.200 1.200 peak 329 spectrum 1 weight .10000E+01 volume .15956E-02 ppm1 3.356 ppm2 2.167 CV 1
ASSI { 1498}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 64 and name HB3 ))
4.200 2.300 1.800 peak 1498 spectrum 1 weight .10000E+01 volume .67518E-03 ppm1 2.595 ppm2 2.041 CV 1
OR { 1498}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 598}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HG2 ))
2.600 .800 .800 peak 598 spectrum 1 weight .10000E+01 volume .40613E-02 ppm1 3.877 ppm2 2.274 CV 1
OR { 598}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HG3 ))
ASSI { 1171}
(( segid "A " and resid 12 and name HB2 ))
(( segid "A " and resid 12 and name HG3 ))
3.000 1.100 1.100 peak 1171 spectrum 1 weight .10000E+01 volume .11556E-02 ppm1 1.568 ppm2 2.065 CV 1
ASSI { 838}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 78 and name HG12))
2.000 .500 .500 peak 838 spectrum 1 weight .10000E+01 volume .15177E-01 ppm1 .797 ppm2 1.434 CV 1
ASSI { 1248}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HE2 ))
4.500 2.500 1.500 peak 1248 spectrum 1 weight .10000E+01 volume .71216E-03 ppm1 1.507 ppm2 2.933 CV 1
OR { 1248}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HE3 ))
ASSI { 1553}
(( segid "A " and resid 62 and name HG2 ))
(( segid "A " and resid 62 and name HB3 ))
3.100 1.200 1.200 peak 1553 spectrum 1 weight .10000E+01 volume .85323E-03 ppm1 2.672 ppm2 .496 CV 1
ASSI { 1038}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 30 and name HD2 ))
4.100 2.100 1.900 peak 1038 spectrum 1 weight .10000E+01 volume .82973E-03 ppm1 1.585 ppm2 6.526 CV 1
ASSI { 1473}
(( segid "A " and resid 79 and name HB2 ))
(( segid "A " and resid 80 and name HD3 ))
3.500 1.500 1.500 peak 1473 spectrum 1 weight .10000E+01 volume .26000E-02 ppm1 2.340 ppm2 3.870 CV 1
ASSI { 404}
(( segid "A " and resid 72 and name HD3 ))
(( segid "A " and resid 72 and name HB2 ))
2.600 .800 .800 peak 404 spectrum 1 weight .10000E+01 volume .54719E-02 ppm1 3.276 ppm2 2.015 CV 1
OR { 404}
(( segid "A " and resid 72 and name HD2 ))
(( segid "A " and resid 72 and name HB3 ))
OR { 404}
(( segid "A " and resid 72 and name HD2 ))
(( segid "A " and resid 72 and name HB2 ))
OR { 404}
(( segid "A " and resid 72 and name HD3 ))
(( segid "A " and resid 72 and name HB3 ))
ASSI { 1459}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 67 and name HD2 ))
3.600 1.600 1.600 peak 1459 spectrum 1 weight .10000E+01 volume .72895E-03 ppm1 7.211 ppm2 1.778 CV 1
OR { 1459}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 67 and name HD3 ))
ASSI { 826}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HE2 ))
4.300 2.300 1.700 peak 826 spectrum 1 weight .10000E+01 volume .87338E-03 ppm1 4.276 ppm2 2.998 CV 1
OR { 826}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HE3 ))
ASSI { 120}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 51 and name HB3 ))
2.200 .600 .600 peak 120 spectrum 1 weight .10000E+01 volume .20961E-02 ppm1 1.814 ppm2 1.639 CV 1
ASSI { 1461}
(( segid "A " and resid 31 and name HD2 ))
(( segid "A " and resid 31 and name HB2 ))
3.400 1.400 1.400 peak 1461 spectrum 1 weight .10000E+01 volume .18274E-02 ppm1 3.301 ppm2 2.358 CV 1
ASSI { 833}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 33 and name H ))
4.100 2.100 1.900 peak 833 spectrum 1 weight .10000E+01 volume .64832E-03 ppm1 2.661 ppm2 7.493 CV 1
ASSI { 851}
(( segid "A " and resid 77 and name HB2 ))
( segid "A " and resid 74 and name HE% )
3.300 1.400 1.400 peak 851 spectrum 1 weight .10000E+01 volume .10447E-02 ppm1 3.071 ppm2 2.015 CV 1
ASSI { 1457}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 79 and name HB3 ))
2.200 .600 .600 peak 1457 spectrum 1 weight .10000E+01 volume .65738E-02 ppm1 4.404 ppm2 1.941 CV 1
OR { 1457}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 79 and name HG2 ))
ASSI { 265}
(( segid "A " and resid 7 and name HE3 ))
( segid "A " and resid 77 and name HD% )
3.600 1.600 1.600 peak 265 spectrum 1 weight .10000E+01 volume .98423E-03 ppm1 3.000 ppm2 7.064 CV 1
OR { 265}
(( segid "A " and resid 7 and name HE2 ))
( segid "A " and resid 77 and name HD% )
ASSI { 1472}
(( segid "A " and resid 8 and name HD2 ))
(( segid "A " and resid 8 and name HD3 ))
2.100 .500 .500 peak 1472 spectrum 1 weight .10000E+01 volume .31072E-02 ppm1 3.319 ppm2 2.930 CV 1
ASSI { 644}
(( segid "A " and resid 67 and name HG2 ))
(( segid "A " and resid 67 and name H ))
3.900 1.900 1.900 peak 644 spectrum 1 weight .10000E+01 volume .16258E-02 ppm1 1.486 ppm2 8.210 CV 1
OR { 644}
(( segid "A " and resid 67 and name HG3 ))
(( segid "A " and resid 67 and name H ))
ASSI { 1621}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HB3 ))
2.600 .800 .800 peak 1621 spectrum 1 weight .10000E+01 volume .24589E-02 ppm1 4.989 ppm2 2.827 CV 1
ASSI { 1533}
(( segid "A " and resid 56 and name HD3 ))
(( segid "A " and resid 56 and name HE2 ))
3.000 1.100 1.100 peak 1533 spectrum 1 weight .10000E+01 volume .91372E-03 ppm1 .806 ppm2 1.242 CV 1
ASSI { 1049}
( segid "A " and resid 70 and name HE% )
(( segid "A " and resid 71 and name HG2 ))
3.400 1.400 1.400 peak 1049 spectrum 1 weight .10000E+01 volume .81630E-03 ppm1 6.799 ppm2 2.755 CV 1
ASSI { 595}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 31 and name HA ))
3.700 1.800 1.800 peak 595 spectrum 1 weight .10000E+01 volume .12866E-02 ppm1 1.987 ppm2 4.509 CV 1
ASSI { 43}
(( segid "A " and resid 44 and name HB3 ))
( segid "A " and resid 19 and name HG2%)
3.400 1.400 1.400 peak 43 spectrum 1 weight .10000E+01 volume .98087E-03 ppm1 2.595 ppm2 .284 CV 1
ASSI { 1411}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HA ))
2.800 1.000 1.000 peak 1411 spectrum 1 weight .10000E+01 volume .30837E-02 ppm1 1.704 ppm2 4.116 CV 1
ASSI { 1116}
(( segid "A " and resid 26 and name HE1 ))
(( segid "A " and resid 30 and name HB2 ))
3.800 1.800 1.800 peak 1116 spectrum 1 weight .10000E+01 volume .63825E-03 ppm1 7.496 ppm2 2.605 CV 1
ASSI { 9}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 80 and name HD3 ))
3.500 1.500 1.500 peak 9 spectrum 1 weight .10000E+01 volume .21667E-02 ppm1 1.881 ppm2 3.870 CV 1
ASSI { 1356}
(( segid "A " and resid 44 and name HB3 ))
(( segid "A " and resid 44 and name HA ))
3.200 1.300 1.300 peak 1356 spectrum 1 weight .10000E+01 volume .11287E-02 ppm1 2.596 ppm2 4.100 CV 1
ASSI { 389}
( segid "A " and resid 19 and name HG2%)
( segid "A " and resid 40 and name HE% )
3.700 1.700 1.700 peak 389 spectrum 1 weight .10000E+01 volume .62146E-03 ppm1 .292 ppm2 6.868 CV 1
OR { 389}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 40 and name HZ ))
ASSI { 523}
(( segid "A " and resid 47 and name HB3 ))
(( segid "A " and resid 47 and name H ))
2.900 1.100 1.100 peak 523 spectrum 1 weight .10000E+01 volume .16393E-02 ppm1 2.238 ppm2 7.959 CV 1
ASSI { 606}
( segid "A " and resid 18 and name HE% )
(( segid "A " and resid 48 and name HB2 ))
3.600 1.600 1.600 peak 606 spectrum 1 weight .10000E+01 volume .57440E-03 ppm1 7.402 ppm2 3.354 CV 1
OR { 606}
( segid "A " and resid 18 and name HE% )
(( segid "A " and resid 48 and name HB3 ))
ASSI { 401}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HG3 ))
2.500 .800 .800 peak 401 spectrum 1 weight .10000E+01 volume .37488E-02 ppm1 1.331 ppm2 .836 CV 1
OR { 401}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HG2 ))
ASSI { 426}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 48 and name HZ2 ))
3.600 1.600 1.600 peak 426 spectrum 1 weight .10000E+01 volume .53075E-03 ppm1 1.243 ppm2 7.616 CV 1
ASSI { 1075}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 30 and name H ))
4.400 2.400 1.600 peak 1075 spectrum 1 weight .10000E+01 volume .13302E-02 ppm1 1.593 ppm2 8.031 CV 1
ASSI { 1022}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 71 and name H ))
3.300 1.400 1.400 peak 1022 spectrum 1 weight .10000E+01 volume .11858E-02 ppm1 7.209 ppm2 8.438 CV 1
ASSI { 1515}
(( segid "A " and resid 7 and name HD2 ))
( segid "A " and resid 77 and name HD% )
4.400 2.400 1.600 peak 1515 spectrum 1 weight .10000E+01 volume .56769E-03 ppm1 1.649 ppm2 7.112 CV 1
OR { 1515}
(( segid "A " and resid 7 and name HD3 ))
( segid "A " and resid 77 and name HD% )
ASSI { 902}
( segid "A " and resid 78 and name HD1%)
(( segid "A " and resid 76 and name HB ))
3.100 1.200 1.200 peak 902 spectrum 1 weight .10000E+01 volume .13840E-02 ppm1 .796 ppm2 4.460 CV 1
ASSI { 1499}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 83 and name HG2 ))
2.200 .600 .600 peak 1499 spectrum 1 weight .10000E+01 volume .14293E-01 ppm1 2.064 ppm2 2.187 CV 1
OR { 1499}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 83 and name HG3 ))
ASSI { 436}
(( segid "A " and resid 71 and name HG2 ))
(( segid "A " and resid 71 and name HA ))
2.800 .900 .900 peak 436 spectrum 1 weight .10000E+01 volume .24488E-02 ppm1 2.746 ppm2 3.776 CV 1
ASSI { 167}
(( segid "A " and resid 47 and name HA ))
(( segid "A " and resid 47 and name HB2 ))
2.600 .800 .800 peak 167 spectrum 1 weight .10000E+01 volume .37791E-02 ppm1 4.161 ppm2 2.175 CV 1
OR { 167}
(( segid "A " and resid 47 and name HA ))
(( segid "A " and resid 47 and name HB3 ))
ASSI { 249}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 71 and name HB3 ))
4.300 2.300 1.700 peak 249 spectrum 1 weight .10000E+01 volume .57105E-03 ppm1 7.210 ppm2 2.172 CV 1
ASSI { 1261}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 56 and name HG3 ))
2.700 .900 .900 peak 1261 spectrum 1 weight .10000E+01 volume .23313E-02 ppm1 1.811 ppm2 -.020 CV 1
ASSI { 557}
(( segid "A " and resid 2 and name HG3 ))
(( segid "A " and resid 2 and name H ))
3.300 1.300 1.300 peak 557 spectrum 1 weight .10000E+01 volume .17031E-02 ppm1 1.482 ppm2 8.368 CV 1
OR { 557}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 2 and name H ))
ASSI { 1026}
(( segid "A " and resid 7 and name HA ))
( segid "A " and resid 77 and name HE% )
3.200 1.300 1.300 peak 1026 spectrum 1 weight .10000E+01 volume .95401E-03 ppm1 3.844 ppm2 6.735 CV 1
ASSI { 417}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 30 and name HB3 ))
2.500 .800 .800 peak 417 spectrum 1 weight .10000E+01 volume .53848E-02 ppm1 1.421 ppm2 2.810 CV 1
ASSI { 896}
(( segid "A " and resid 11 and name HE2 ))
( segid "A " and resid 70 and name HD% )
3.900 1.900 1.900 peak 896 spectrum 1 weight .10000E+01 volume .58112E-03 ppm1 2.786 ppm2 7.201 CV 1
ASSI { 1136}
(( segid "A " and resid 79 and name HB2 ))
(( segid "A " and resid 79 and name HA ))
2.400 .700 .700 peak 1136 spectrum 1 weight .10000E+01 volume .76823E-02 ppm1 2.338 ppm2 4.405 CV 1
ASSI { 2}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 79 and name HD3 ))
3.500 1.500 1.500 peak 2 spectrum 1 weight .10000E+01 volume .11757E-02 ppm1 6.733 ppm2 3.550 CV 1
OR { 2}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 79 and name HD2 ))
ASSI { 931}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 51 and name HB3 ))
2.800 1.000 1.000 peak 931 spectrum 1 weight .10000E+01 volume .21197E-02 ppm1 2.536 ppm2 1.665 CV 1
OR { 931}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 51 and name HB3 ))
ASSI { 793}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 7 and name HA ))
3.300 1.300 1.300 peak 793 spectrum 1 weight .10000E+01 volume .15016E-02 ppm1 2.019 ppm2 3.813 CV 1
ASSI { 632}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HA ))
3.300 1.400 1.400 peak 632 spectrum 1 weight .10000E+01 volume .50252E-02 ppm1 1.592 ppm2 3.997 CV 1
ASSI { 198}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HD2 ))
2.300 .700 .700 peak 198 spectrum 1 weight .10000E+01 volume .58854E-02 ppm1 4.280 ppm2 1.692 CV 1
OR { 198}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HD3 ))
ASSI { 749}
(( segid "A " and resid 50 and name HB ))
(( segid "A " and resid 50 and name HA ))
1.900 .500 .500 peak 749 spectrum 1 weight .10000E+01 volume .22839E-01 ppm1 4.465 ppm2 4.374 CV 1
ASSI { 842}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 23 and name HG2 ))
3.500 1.600 1.600 peak 842 spectrum 1 weight .10000E+01 volume .82973E-03 ppm1 .351 ppm2 1.416 CV 1
ASSI { 1514}
( segid "A " and resid 77 and name HD% )
( segid "A " and resid 78 and name HG2%)
4.400 2.500 1.600 peak 1514 spectrum 1 weight .10000E+01 volume .65839E-03 ppm1 7.093 ppm2 .804 CV 1
OR { 1514}
( segid "A " and resid 77 and name HD% )
( segid "A " and resid 78 and name HD1%)
ASSI { 149}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 71 and name HG3 ))
2.600 .800 .800 peak 149 spectrum 1 weight .10000E+01 volume .75449E-02 ppm1 2.133 ppm2 2.407 CV 1
ASSI { 529}
(( segid "A " and resid 8 and name HG3 ))
(( segid "A " and resid 8 and name HD3 ))
2.900 1.100 1.100 peak 529 spectrum 1 weight .10000E+01 volume .94394E-03 ppm1 1.535 ppm2 2.931 CV 1
ASSI { 1279}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 23 and name HB3 ))
3.200 1.300 1.300 peak 1279 spectrum 1 weight .10000E+01 volume .99766E-03 ppm1 2.728 ppm2 1.732 CV 1
ASSI { 562}
(( segid "A " and resid 56 and name HD3 ))
(( segid "A " and resid 56 and name HB3 ))
2.700 .900 .900 peak 562 spectrum 1 weight .10000E+01 volume .15284E-02 ppm1 .811 ppm2 1.749 CV 1
ASSI { 47}
(( segid "A " and resid 23 and name HB3 ))
( segid "B " and resid 145 and name HD1%)
3.700 1.700 1.700 peak 47 spectrum 1 weight .10000E+01 volume .63436E-03 ppm1 1.728 ppm2 .868 CV 1
ASSI { 51}
( segid "A " and resid 35 and name HG2%)
( segid "B " and resid 154 and name HD% )
4.200 2.200 1.800 peak 51 spectrum 1 weight .10000E+01 volume .46466E-03 ppm1 .537 ppm2 7.200 CV 1
ASSI { 67}
(( segid "A " and resid 49 and name HG2 ))
( segid "B " and resid 143 and name HD1%)
4.900 3.000 1.100 peak 67 spectrum 1 weight .10000E+01 volume .27653E-03 ppm1 1.733 ppm2 .867 CV 1
ASSI { 40}
(( segid "A " and resid 41 and name HB3 ))
( segid "B " and resid 143 and name HD1%)
4.000 2.000 2.000 peak 40 spectrum 1 weight .10000E+01 volume .56848E-03 ppm1 3.683 ppm2 .852 CV 1
ASSI { 14}
(( segid "A " and resid 49 and name HG3 ))
( segid "B " and resid 144 and name HE% )
4.500 2.600 1.500 peak 14 spectrum 1 weight .10000E+01 volume .33054E-03 ppm1 1.526 ppm2 1.997 CV 1
ASSI { 56}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 154 and name HZ ))
4.200 2.200 1.800 peak 56 spectrum 1 weight .10000E+01 volume .64920E-03 ppm1 .821 ppm2 7.085 CV 1
ASSI { 8}
( segid "A " and resid 19 and name HG2%)
(( segid "B " and resid 144 and name HB3 ))
4.200 2.200 1.800 peak 8 spectrum 1 weight .10000E+01 volume .30383E-03 ppm1 .309 ppm2 2.040 CV 1
OR { 8}
( segid "A " and resid 19 and name HG2%)
(( segid "B " and resid 144 and name HB2 ))
OR { 8}
( segid "A " and resid 19 and name HG2%)
( segid "B " and resid 144 and name HE% )
ASSI { 65}
( segid "A " and resid 12 and name HE% )
(( segid "B " and resid 154 and name HB2 ))
4.500 2.600 1.500 peak 65 spectrum 1 weight .10000E+01 volume .31985E-03 ppm1 1.189 ppm2 3.111 CV 1
ASSI { 18}
( segid "A " and resid 12 and name HE% )
(( segid "B " and resid 144 and name HB3 ))
4.600 2.700 1.400 peak 18 spectrum 1 weight .10000E+01 volume .45454E-03 ppm1 1.194 ppm2 2.064 CV 1
OR { 18}
( segid "A " and resid 12 and name HE% )
(( segid "B " and resid 144 and name HB2 ))
OR { 18}
( segid "A " and resid 12 and name HE% )
( segid "B " and resid 144 and name HE% )
ASSI { 63}
(( segid "A " and resid 23 and name HD3 ))
( segid "B " and resid 145 and name HD1%)
3.900 1.900 1.900 peak 63 spectrum 1 weight .10000E+01 volume .42073E-03 ppm1 2.724 ppm2 .876 CV 1
ASSI { 16}
( segid "A " and resid 16 and name HB% )
(( segid "B " and resid 144 and name HB3 ))
4.700 2.800 1.300 peak 16 spectrum 1 weight .10000E+01 volume .34181E-03 ppm1 1.327 ppm2 2.043 CV 1
OR { 16}
( segid "A " and resid 16 and name HB% )
(( segid "B " and resid 144 and name HB2 ))
ASSI { 60}
(( segid "A " and resid 20 and name HB3 ))
( segid "B " and resid 145 and name HD1%)
3.900 1.900 1.900 peak 60 spectrum 1 weight .10000E+01 volume .49611E-03 ppm1 2.092 ppm2 .883 CV 1
OR { 60}
(( segid "A " and resid 20 and name HB2 ))
( segid "B " and resid 145 and name HD1%)
ASSI { 58}
(( segid "A " and resid 12 and name HG2 ))
( segid "B " and resid 145 and name HD2%)
4.600 2.600 1.400 peak 58 spectrum 1 weight .10000E+01 volume .46762E-03 ppm1 2.021 ppm2 .860 CV 1
OR { 58}
(( segid "A " and resid 12 and name HG2 ))
( segid "B " and resid 145 and name HD1%)
ASSI { 49}
(( segid "A " and resid 48 and name HD1 ))
( segid "B " and resid 143 and name HD1%)
4.500 2.500 1.500 peak 49 spectrum 1 weight .10000E+01 volume .41539E-03 ppm1 6.966 ppm2 .855 CV 1
ASSI { 38}
(( segid "A " and resid 24 and name HB3 ))
( segid "B " and resid 145 and name HD1%)
3.100 3.100 2.900 peak 38 spectrum 1 weight .10000E+01 volume .46642E-03 ppm1 2.234 ppm2 .876 CV 1
ASSI { 44}
( segid "A " and resid 35 and name HG1%)
( segid "B " and resid 154 and name HD% )
4.100 2.100 1.900 peak 44 spectrum 1 weight .10000E+01 volume .64328E-03 ppm1 .353 ppm2 7.195 CV 1
ASSI { 53}
(( segid "A " and resid 20 and name HG2 ))
(( segid "B " and resid 145 and name HG ))
5.100 3.200 .900 peak 53 spectrum 1 weight .10000E+01 volume .44270E-03 ppm1 2.297 ppm2 1.579 CV 1
OR { 53}
(( segid "A " and resid 20 and name HG3 ))
(( segid "B " and resid 145 and name HG ))
OR { 53}
(( segid "A " and resid 20 and name HG3 ))
(( segid "B " and resid 145 and name HB2 ))
ASSI { 1}
(( segid "A " and resid 9 and name HD3 ))
( segid "B " and resid 145 and name HD1%)
3.200 3.200 2.800 peak 1 spectrum 1 weight .10000E+01 volume .37860E-03 ppm1 3.220 ppm2 .907 CV 1
ASSI { 71}
(( segid "A " and resid 12 and name HG3 ))
( segid "B " and resid 145 and name HD2%)
4.800 2.900 1.200 peak 71 spectrum 1 weight .10000E+01 volume .34893E-03 ppm1 2.166 ppm2 .860 CV 1
OR { 71}
(( segid "A " and resid 12 and name HG3 ))
( segid "B " and resid 145 and name HD1%)
ASSI { 23}
(( segid "A " and resid 46 and name HG3 ))
( segid "B " and resid 143 and name HD1%)
4.000 2.000 2.000 peak 23 spectrum 1 weight .10000E+01 volume .72515E-03 ppm1 2.342 ppm2 .868 CV 1
ASSI { 69}
( segid "A " and resid 19 and name HG2%)
( segid "B " and resid 145 and name HD1%)
3.700 1.700 1.700 peak 69 spectrum 1 weight .10000E+01 volume .20426E-02 ppm1 .291 ppm2 .852 CV 1
OR { 69}
( segid "A " and resid 19 and name HG2%)
( segid "B " and resid 145 and name HD2%)
ASSI { 55}
(( segid "A " and resid 16 and name HA ))
( segid "B " and resid 145 and name HD2%)
3.600 1.700 1.700 peak 55 spectrum 1 weight .10000E+01 volume .12005E-02 ppm1 3.612 ppm2 .854 CV 1
OR { 55}
(( segid "A " and resid 16 and name HA ))
( segid "B " and resid 145 and name HD1%)
ASSI { 13}
(( segid "A " and resid 27 and name HE2 ))
( segid "B " and resid 154 and name HD% )
3.300 3.300 2.700 peak 13 spectrum 1 weight .10000E+01 volume .32341E-03 ppm1 2.937 ppm2 7.193 CV 1
OR { 13}
(( segid "A " and resid 27 and name HE3 ))
( segid "B " and resid 154 and name HD% )
ASSI { 43}
( segid "A " and resid 15 and name HE% )
( segid "B " and resid 143 and name HD1%)
3.900 1.900 1.900 peak 43 spectrum 1 weight .10000E+01 volume .99753E-03 ppm1 6.360 ppm2 .848 CV 1
ASSI { 35}
( segid "A " and resid 12 and name HE% )
( segid "B " and resid 145 and name HD2%)
2.900 1.100 1.100 peak 35 spectrum 1 weight .10000E+01 volume .24680E-02 ppm1 1.196 ppm2 .860 CV 1
OR { 35}
( segid "A " and resid 12 and name HE% )
( segid "B " and resid 145 and name HD1%)
ASSI { 37}
(( segid "A " and resid 19 and name HB ))
( segid "B " and resid 145 and name HD1%)
4.300 2.300 1.700 peak 37 spectrum 1 weight .10000E+01 volume .52576E-03 ppm1 1.771 ppm2 .856 CV 1
OR { 37}
(( segid "A " and resid 19 and name HB ))
( segid "B " and resid 145 and name HD2%)
ASSI { 28}
( segid "A " and resid 21 and name HG2%)
( segid "B " and resid 145 and name HD1%)
4.500 2.600 1.500 peak 28 spectrum 1 weight .10000E+01 volume .86459E-03 ppm1 1.545 ppm2 .885 CV 1
ASSI { 27}
(( segid "A " and resid 45 and name HB2 ))
( segid "B " and resid 143 and name HD1%)
3.300 1.400 1.400 peak 27 spectrum 1 weight .10000E+01 volume .70911E-03 ppm1 4.025 ppm2 .861 CV 1
ASSI { 36}
(( segid "A " and resid 48 and name HB3 ))
( segid "B " and resid 143 and name HD1%)
4.700 2.800 1.300 peak 36 spectrum 1 weight .10000E+01 volume .26585E-03 ppm1 3.349 ppm2 .901 CV 1
ASSI { 7}
(( segid "A " and resid 49 and name HG2 ))
( segid "B " and resid 144 and name HE% )
5.100 3.200 .900 peak 7 spectrum 1 weight .10000E+01 volume .24805E-03 ppm1 1.723 ppm2 1.997 CV 1
ASSI { 45}
(( segid "A " and resid 45 and name HB3 ))
( segid "B " and resid 143 and name HD1%)
4.300 2.300 1.700 peak 45 spectrum 1 weight .10000E+01 volume .48065E-03 ppm1 4.077 ppm2 .871 CV 1
ASSI { 29}
( segid "A " and resid 17 and name HE% )
( segid "B " and resid 145 and name HD2%)
5.300 3.500 .700 peak 29 spectrum 1 weight .10000E+01 volume .28543E-03 ppm1 7.334 ppm2 .865 CV 1
OR { 29}
( segid "A " and resid 17 and name HE% )
( segid "B " and resid 145 and name HD1%)
ASSI { 46}
(( segid "A " and resid 20 and name HA ))
( segid "B " and resid 145 and name HD1%)
3.600 1.600 1.600 peak 46 spectrum 1 weight .10000E+01 volume .51688E-03 ppm1 3.877 ppm2 .825 CV 1
OR { 46}
(( segid "A " and resid 20 and name HA ))
( segid "B " and resid 145 and name HD2%)
ASSI { 10}
( segid "A " and resid 12 and name HE% )
(( segid "B " and resid 145 and name HG ))
4.600 2.600 1.400 peak 10 spectrum 1 weight .10000E+01 volume .44327E-03 ppm1 1.191 ppm2 1.568 CV 1
OR { 10}
( segid "A " and resid 12 and name HE% )
(( segid "B " and resid 145 and name HB2 ))
ASSI { 30}
( segid "A " and resid 16 and name HB% )
( segid "B " and resid 154 and name HD% )
4.500 2.600 1.500 peak 30 spectrum 1 weight .10000E+01 volume .64624E-03 ppm1 1.317 ppm2 7.192 CV 1
ASSI { 39}
( segid "A " and resid 19 and name HG1%)
( segid "B " and resid 154 and name HD% )
3.800 1.900 1.900 peak 39 spectrum 1 weight .10000E+01 volume .13732E-02 ppm1 .825 ppm2 7.202 CV 1
ASSI { 61}
( segid "A " and resid 37 and name HD% )
( segid "B " and resid 145 and name HD1%)
4.000 2.000 2.000 peak 61 spectrum 1 weight .10000E+01 volume .91624E-03 ppm1 7.080 ppm2 .851 CV 1
OR { 61}
( segid "A " and resid 37 and name HD% )
( segid "B " and resid 145 and name HD2%)
ASSI { 24}
(( segid "A " and resid 24 and name HB2 ))
( segid "B " and resid 145 and name HD1%)
3.100 3.100 2.900 peak 24 spectrum 1 weight .10000E+01 volume .43141E-03 ppm1 2.131 ppm2 .867 CV 1
ASSI { 59}
(( segid "A " and resid 37 and name HA ))
( segid "B " and resid 154 and name HD% )
4.700 2.800 1.300 peak 59 spectrum 1 weight .10000E+01 volume .33350E-03 ppm1 4.053 ppm2 7.203 CV 1
ASSI { 33}
( segid "A " and resid 40 and name HE% )
( segid "B " and resid 145 and name HD1%)
4.100 2.100 1.900 peak 33 spectrum 1 weight .10000E+01 volume .57445E-03 ppm1 6.899 ppm2 .827 CV 1
OR { 33}
( segid "A " and resid 40 and name HE% )
( segid "B " and resid 145 and name HD2%)
ASSI { 19}
(( segid "A " and resid 45 and name HB2 ))
( segid "B " and resid 144 and name HE% )
4.300 2.400 1.700 peak 19 spectrum 1 weight .10000E+01 volume .37860E-03 ppm1 4.026 ppm2 2.011 CV 1
ASSI { 20}
(( segid "A " and resid 49 and name HG3 ))
( segid "B " and resid 143 and name HD1%)
3.900 1.900 1.900 peak 20 spectrum 1 weight .10000E+01 volume .69016E-03 ppm1 1.534 ppm2 .876 CV 1
ASSI { 26}
(( segid "A " and resid 17 and name HA ))
( segid "B " and resid 145 and name HD2%)
4.800 2.900 1.200 peak 26 spectrum 1 weight .10000E+01 volume .39640E-03 ppm1 4.126 ppm2 .857 CV 1
OR { 26}
(( segid "A " and resid 17 and name HA ))
( segid "B " and resid 145 and name HD1%)
ASSI { 42}
(( segid "A " and resid 23 and name HD3 ))
( segid "B " and resid 154 and name HD% )
4.100 2.100 1.900 peak 42 spectrum 1 weight .10000E+01 volume .32994E-03 ppm1 2.697 ppm2 7.199 CV 1
ASSI { 4}
(( segid "A " and resid 9 and name HG2 ))
( segid "B " and resid 145 and name HD1%)
3.800 3.800 2.200 peak 4 spectrum 1 weight .10000E+01 volume .33350E-03 ppm1 1.912 ppm2 .901 CV 1
ASSI { 52}
(( segid "A " and resid 23 and name HD2 ))
( segid "B " and resid 154 and name HD% )
3.900 1.900 1.900 peak 52 spectrum 1 weight .10000E+01 volume .30145E-03 ppm1 2.661 ppm2 7.195 CV 1
ASSI { 11}
( segid "A " and resid 35 and name HG2%)
( segid "B " and resid 145 and name HD1%)
4.000 2.000 2.000 peak 11 spectrum 1 weight .10000E+01 volume .66286E-03 ppm1 .542 ppm2 .868 CV 1
ASSI { 3}
(( segid "A " and resid 41 and name HB2 ))
( segid "B " and resid 154 and name HE% )
4.000 2.000 2.000 peak 3 spectrum 1 weight .10000E+01 volume .35546E-03 ppm1 3.723 ppm2 7.231 CV 1
OR { 3}
(( segid "A " and resid 41 and name HB2 ))
( segid "B " and resid 154 and name HD% )
ASSI { 68}
(( segid "A " and resid 41 and name HB2 ))
( segid "B " and resid 143 and name HD1%)
3.900 1.900 1.900 peak 68 spectrum 1 weight .10000E+01 volume .68658E-03 ppm1 3.751 ppm2 .850 CV 1
ASSI { 50}
( segid "A " and resid 19 and name HG2%)
( segid "B " and resid 154 and name HD% )
4.600 2.600 1.400 peak 50 spectrum 1 weight .10000E+01 volume .68954E-03 ppm1 .288 ppm2 7.213 CV 1
ASSI { 25}
( segid "A " and resid 35 and name HG1%)
( segid "B " and resid 145 and name HD1%)
4.100 2.200 1.900 peak 25 spectrum 1 weight .10000E+01 volume .64028E-03 ppm1 .347 ppm2 .884 CV 1
ASSI { 48}
(( segid "A " and resid 20 and name HG2 ))
( segid "B " and resid 145 and name HD1%)
3.800 1.800 1.800 peak 48 spectrum 1 weight .10000E+01 volume .94707E-03 ppm1 2.295 ppm2 .862 CV 1
OR { 48}
(( segid "A " and resid 20 and name HG3 ))
( segid "B " and resid 145 and name HD1%)
OR { 48}
(( segid "A " and resid 20 and name HG3 ))
( segid "B " and resid 145 and name HD2%)
ASSI { 31}
( segid "A " and resid 12 and name HE% )
( segid "B " and resid 154 and name HD% )
4.200 2.200 1.800 peak 31 spectrum 1 weight .10000E+01 volume .94889E-03 ppm1 1.200 ppm2 7.204 CV 1
ASSI { 190}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 128 and name HA ))
2.900 1.000 1.000 peak 190 spectrum 1 weight .10000E+01 volume .22599E-02 ppm1 8.721 ppm2 4.189 CV 1
ASSI { 54}
(( segid "B " and resid 137 and name H ))
(( segid "B " and resid 137 and name HB2 ))
3.400 1.400 1.400 peak 54 spectrum 1 weight .10000E+01 volume .86653E-03 ppm1 8.345 ppm2 3.877 CV 1
OR { 54}
(( segid "B " and resid 137 and name H ))
(( segid "B " and resid 137 and name HB3 ))
ASSI { 45}
(( segid "B " and resid 130 and name HD21))
(( segid "B " and resid 132 and name HG ))
3.200 1.300 1.300 peak 45 spectrum 1 weight .10000E+01 volume .12499E-02 ppm1 7.557 ppm2 1.624 CV 1
OR { 45}
(( segid "B " and resid 130 and name HD21))
(( segid "B " and resid 132 and name HB2 ))
OR { 45}
(( segid "B " and resid 130 and name HD21))
(( segid "B " and resid 132 and name HB3 ))
ASSI { 33}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 144 and name HB2 ))
2.500 .800 .800 peak 33 spectrum 1 weight .10000E+01 volume .41893E-02 ppm1 8.146 ppm2 2.024 CV 1
OR { 33}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 144 and name HB3 ))
ASSI { 198}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 123 and name HB2 ))
3.700 1.700 1.700 peak 198 spectrum 1 weight .10000E+01 volume .14682E-02 ppm1 7.564 ppm2 3.278 CV 1
OR { 198}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 123 and name HB3 ))
ASSI { 81}
(( segid "B " and resid 129 and name H ))
(( segid "B " and resid 128 and name HA ))
2.900 1.100 1.100 peak 81 spectrum 1 weight .10000E+01 volume .17767E-02 ppm1 8.290 ppm2 4.196 CV 1
ASSI { 200}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 122 and name HB3 ))
3.400 1.500 1.500 peak 200 spectrum 1 weight .10000E+01 volume .25529E-02 ppm1 7.931 ppm2 1.380 CV 1
ASSI { 70}
(( segid "B " and resid 156 and name H ))
( segid "B " and resid 155 and name HG2%)
4.100 2.100 1.900 peak 70 spectrum 1 weight .10000E+01 volume .93201E-03 ppm1 8.285 ppm2 1.163 CV 1
ASSI { 173}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 150 and name HA ))
3.800 1.800 1.800 peak 173 spectrum 1 weight .10000E+01 volume .45198E-03 ppm1 10.055 ppm2 3.834 CV 1
ASSI { 148}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 153 and name HD1 ))
3.400 1.500 1.500 peak 148 spectrum 1 weight .10000E+01 volume .65769E-03 ppm1 7.871 ppm2 7.069 CV 1
ASSI { 89}
(( segid "B " and resid 133 and name H ))
( segid "B " and resid 132 and name HD2%)
4.400 2.400 1.600 peak 89 spectrum 1 weight .10000E+01 volume .52055E-03 ppm1 8.206 ppm2 .901 CV 1
ASSI { 159}
(( segid "B " and resid 131 and name H ))
(( segid "B " and resid 130 and name HB2 ))
3.700 1.700 1.700 peak 159 spectrum 1 weight .10000E+01 volume .72003E-03 ppm1 8.037 ppm2 2.777 CV 1
OR { 159}
(( segid "B " and resid 131 and name H ))
(( segid "B " and resid 130 and name HB3 ))
ASSI { 128}
(( segid "B " and resid 152 and name HE21))
(( segid "B " and resid 152 and name HG3 ))
2.800 1.000 1.000 peak 128 spectrum 1 weight .10000E+01 volume .20074E-02 ppm1 6.771 ppm2 2.125 CV 1
OR { 128}
(( segid "B " and resid 152 and name HE21))
(( segid "B " and resid 152 and name HG2 ))
ASSI { 53}
(( segid "B " and resid 115 and name H ))
(( segid "B " and resid 115 and name HB3 ))
3.100 1.200 1.200 peak 53 spectrum 1 weight .10000E+01 volume .14245E-02 ppm1 8.349 ppm2 3.867 CV 1
OR { 53}
(( segid "B " and resid 115 and name H ))
(( segid "B " and resid 115 and name HB2 ))
ASSI { 120}
(( segid "B " and resid 114 and name H ))
( segid "B " and resid 114 and name HD2%)
4.000 2.000 2.000 peak 120 spectrum 1 weight .10000E+01 volume .71070E-03 ppm1 8.353 ppm2 .907 CV 1
OR { 120}
(( segid "B " and resid 114 and name H ))
( segid "B " and resid 114 and name HD1%)
ASSI { 189}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 136 and name HD2 ))
4.300 2.300 1.700 peak 189 spectrum 1 weight .10000E+01 volume .67951E-03 ppm1 8.297 ppm2 3.827 CV 1
ASSI { 205}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 148 and name HB2 ))
2.700 .900 .900 peak 205 spectrum 1 weight .10000E+01 volume .31794E-02 ppm1 8.121 ppm2 2.499 CV 1
ASSI { 119}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 147 and name HA ))
2.800 1.000 1.000 peak 119 spectrum 1 weight .10000E+01 volume .21477E-02 ppm1 8.121 ppm2 4.280 CV 1
ASSI { 174}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 142 and name HB3 ))
3.200 1.300 1.300 peak 174 spectrum 1 weight .10000E+01 volume .18547E-02 ppm1 8.040 ppm2 2.640 CV 1
OR { 174}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 142 and name HB2 ))
ASSI { 71}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 151 and name H ))
2.900 1.100 1.100 peak 71 spectrum 1 weight .10000E+01 volume .15835E-02 ppm1 7.969 ppm2 8.169 CV 1
ASSI { 234}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 152 and name HB3 ))
3.900 1.900 1.900 peak 234 spectrum 1 weight .10000E+01 volume .63586E-03 ppm1 10.060 ppm2 1.898 CV 1
OR { 234}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 152 and name HB2 ))
ASSI { 19}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 125 and name HG ))
2.200 .600 .600 peak 19 spectrum 1 weight .10000E+01 volume .87652E-02 ppm1 7.828 ppm2 1.624 CV 1
OR { 19}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 125 and name HB2 ))
OR { 19}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 125 and name HB3 ))
ASSI { 86}
(( segid "B " and resid 151 and name H ))
( segid "B " and resid 150 and name HD1%)
3.600 1.600 1.600 peak 86 spectrum 1 weight .10000E+01 volume .14619E-02 ppm1 8.165 ppm2 .785 CV 1
OR { 86}
(( segid "B " and resid 151 and name H ))
( segid "B " and resid 150 and name HG2%)
ASSI { 168}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 147 and name HD2 ))
2.900 1.000 1.000 peak 168 spectrum 1 weight .10000E+01 volume .15710E-02 ppm1 8.121 ppm2 3.766 CV 1
ASSI { 4}
(( segid "B " and resid 157 and name H ))
(( segid "B " and resid 156 and name HA ))
2.300 .700 .700 peak 4 spectrum 1 weight .10000E+01 volume .62247E-02 ppm1 8.397 ppm2 4.244 CV 1
ASSI { 26}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 124 and name HA ))
2.500 .800 .800 peak 26 spectrum 1 weight .10000E+01 volume .45913E-02 ppm1 7.827 ppm2 4.055 CV 1
ASSI { 28}
(( segid "B " and resid 118 and name H ))
(( segid "B " and resid 118 and name HB ))
3.400 1.400 1.400 peak 28 spectrum 1 weight .10000E+01 volume .10567E-02 ppm1 8.124 ppm2 4.106 CV 1
ASSI { 214}
(( segid "B " and resid 155 and name H ))
(( segid "B " and resid 155 and name HA ))
2.900 1.100 1.100 peak 214 spectrum 1 weight .10000E+01 volume .19918E-02 ppm1 7.887 ppm2 4.285 CV 1
ASSI { 233}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 144 and name HA ))
2.800 1.000 1.000 peak 233 spectrum 1 weight .10000E+01 volume .28085E-02 ppm1 8.147 ppm2 4.405 CV 1
ASSI { 40}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 134 and name HA ))
2.200 .600 .600 peak 40 spectrum 1 weight .10000E+01 volume .84630E-02 ppm1 8.300 ppm2 4.439 CV 1
ASSI { 99}
(( segid "B " and resid 118 and name H ))
( segid "B " and resid 118 and name HG2%)
3.700 1.700 1.700 peak 99 spectrum 1 weight .10000E+01 volume .67328E-03 ppm1 8.123 ppm2 1.109 CV 1
ASSI { 66}
(( segid "B " and resid 117 and name H ))
(( segid "B " and resid 117 and name HG2 ))
3.200 1.300 1.300 peak 66 spectrum 1 weight .10000E+01 volume .12375E-02 ppm1 8.488 ppm2 2.191 CV 1
ASSI { 113}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 143 and name HB3 ))
2.700 .900 .900 peak 113 spectrum 1 weight .10000E+01 volume .57882E-02 ppm1 8.039 ppm2 1.598 CV 1
OR { 113}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 143 and name HG ))
ASSI { 161}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 143 and name HA ))
2.800 .900 .900 peak 161 spectrum 1 weight .10000E+01 volume .38059E-02 ppm1 8.146 ppm2 4.213 CV 1
ASSI { 225}
(( segid "B " and resid 150 and name H ))
(( segid "B " and resid 149 and name H ))
2.600 .800 .800 peak 225 spectrum 1 weight .10000E+01 volume .23721E-02 ppm1 7.755 ppm2 7.941 CV 1
ASSI { 77}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 149 and name HA ))
3.400 1.500 1.500 peak 77 spectrum 1 weight .10000E+01 volume .84471E-03 ppm1 8.167 ppm2 4.477 CV 1
ASSI { 149}
(( segid "B " and resid 117 and name H ))
(( segid "B " and resid 117 and name HB3 ))
2.800 1.000 1.000 peak 149 spectrum 1 weight .10000E+01 volume .29269E-02 ppm1 8.488 ppm2 1.925 CV 1
ASSI { 228}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 124 and name H ))
2.800 1.000 1.000 peak 228 spectrum 1 weight .10000E+01 volume .18484E-02 ppm1 7.828 ppm2 7.569 CV 1
ASSI { 235}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 149 and name H ))
2.600 .900 .900 peak 235 spectrum 1 weight .10000E+01 volume .29643E-02 ppm1 8.121 ppm2 7.932 CV 1
ASSI { 127}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 147 and name HA ))
4.000 2.000 2.000 peak 127 spectrum 1 weight .10000E+01 volume .52678E-03 ppm1 7.935 ppm2 4.290 CV 1
ASSI { 219}
(( segid "B " and resid 157 and name H ))
(( segid "B " and resid 157 and name HB2 ))
3.000 1.100 1.100 peak 219 spectrum 1 weight .10000E+01 volume .21726E-02 ppm1 8.396 ppm2 2.717 CV 1
ASSI { 141}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 120 and name HB3 ))
4.600 2.700 1.400 peak 141 spectrum 1 weight .10000E+01 volume .41769E-03 ppm1 7.928 ppm2 3.862 CV 1
ASSI { 58}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 149 and name HA ))
3.700 1.700 1.700 peak 58 spectrum 1 weight .10000E+01 volume .49872E-03 ppm1 7.976 ppm2 4.486 CV 1
ASSI { 165}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 124 and name HB2 ))
2.400 .700 .700 peak 165 spectrum 1 weight .10000E+01 volume .42361E-02 ppm1 7.563 ppm2 1.630 CV 1
OR { 165}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 124 and name HD3 ))
OR { 165}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 124 and name HD2 ))
ASSI { 14}
(( segid "B " and resid 138 and name HE22))
(( segid "B " and resid 138 and name HE21))
1.500 .300 .700 peak 14 spectrum 1 weight .10000E+01 volume .40594E-01 ppm1 6.879 ppm2 7.606 CV 1
ASSI { 156}
(( segid "B " and resid 155 and name H ))
(( segid "B " and resid 154 and name HB3 ))
3.500 1.500 1.500 peak 156 spectrum 1 weight .10000E+01 volume .70447E-03 ppm1 7.887 ppm2 2.870 CV 1
ASSI { 115}
(( segid "B " and resid 126 and name H ))
(( segid "B " and resid 125 and name HA ))
2.400 2.400 3.600 peak 115 spectrum 1 weight .10000E+01 volume .44946E-02 ppm1 7.891 ppm2 4.276 CV 1
ASSI { 2}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 121 and name H ))
2.600 .900 .900 peak 2 spectrum 1 weight .10000E+01 volume .18360E-02 ppm1 7.932 ppm2 8.258 CV 1
ASSI { 109}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 135 and name HB3 ))
2.500 .800 .800 peak 109 spectrum 1 weight .10000E+01 volume .54299E-02 ppm1 8.300 ppm2 1.575 CV 1
OR { 109}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 135 and name HB2 ))
ASSI { 74}
(( segid "B " and resid 119 and name H ))
(( segid "B " and resid 119 and name HB2 ))
3.100 1.200 1.200 peak 74 spectrum 1 weight .10000E+01 volume .84784E-03 ppm1 8.264 ppm2 3.136 CV 1
ASSI { 95}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 148 and name HB3 ))
3.100 1.200 1.200 peak 95 spectrum 1 weight .10000E+01 volume .21321E-02 ppm1 8.122 ppm2 2.654 CV 1
ASSI { 6}
(( segid "B " and resid 116 and name H ))
(( segid "B " and resid 116 and name HB2 ))
3.700 1.700 1.700 peak 6 spectrum 1 weight .10000E+01 volume .67328E-03 ppm1 8.520 ppm2 1.950 CV 1
ASSI { 50}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 124 and name HG3 ))
3.100 3.100 2.900 peak 50 spectrum 1 weight .10000E+01 volume .48626E-03 ppm1 7.827 ppm2 1.113 CV 1
OR { 50}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 124 and name HG2 ))
ASSI { 29}
(( segid "B " and resid 130 and name HD22))
(( segid "B " and resid 132 and name HG ))
3.300 3.300 2.700 peak 29 spectrum 1 weight .10000E+01 volume .32729E-03 ppm1 6.914 ppm2 1.629 CV 1
OR { 29}
(( segid "B " and resid 130 and name HD22))
(( segid "B " and resid 132 and name HB2 ))
ASSI { 147}
(( segid "B " and resid 135 and name H ))
( segid "B " and resid 135 and name HD2%)
4.000 2.000 2.000 peak 147 spectrum 1 weight .10000E+01 volume .96316E-03 ppm1 8.300 ppm2 .928 CV 1
OR { 147}
(( segid "B " and resid 135 and name H ))
( segid "B " and resid 135 and name HD1%)
ASSI { 139}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 146 and name H ))
4.100 2.100 1.900 peak 139 spectrum 1 weight .10000E+01 volume .37716E-03 ppm1 7.939 ppm2 8.705 CV 1
ASSI { 82}
(( segid "B " and resid 143 and name H ))
( segid "B " and resid 143 and name HD2%)
3.800 1.800 1.800 peak 82 spectrum 1 weight .10000E+01 volume .13933E-02 ppm1 8.038 ppm2 .822 CV 1
OR { 82}
(( segid "B " and resid 143 and name H ))
( segid "B " and resid 143 and name HD1%)
ASSI { 76}
(( segid "B " and resid 154 and name H ))
( segid "B " and resid 154 and name HD% )
4.500 2.600 1.500 peak 76 spectrum 1 weight .10000E+01 volume .58912E-03 ppm1 7.924 ppm2 7.136 CV 1
ASSI { 162}
(( segid "B " and resid 152 and name HE21))
(( segid "B " and resid 152 and name HB2 ))
3.700 1.700 1.700 peak 162 spectrum 1 weight .10000E+01 volume .68265E-03 ppm1 6.775 ppm2 1.908 CV 1
OR { 162}
(( segid "B " and resid 152 and name HE21))
(( segid "B " and resid 152 and name HB3 ))
ASSI { 226}
(( segid "B " and resid 140 and name H ))
( segid "B " and resid 139 and name HB% )
3.300 1.300 1.300 peak 226 spectrum 1 weight .10000E+01 volume .15460E-02 ppm1 8.317 ppm2 1.391 CV 1
ASSI { 35}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 150 and name H ))
4.400 2.500 1.600 peak 35 spectrum 1 weight .10000E+01 volume .36158E-03 ppm1 8.125 ppm2 7.777 CV 1
ASSI { 126}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 152 and name HG2 ))
3.000 3.000 3.000 peak 126 spectrum 1 weight .10000E+01 volume .57666E-03 ppm1 10.064 ppm2 2.114 CV 1
OR { 126}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 152 and name HG3 ))
ASSI { 194}
(( segid "B " and resid 157 and name H ))
(( segid "B " and resid 158 and name HD2 ))
4.400 2.400 1.600 peak 194 spectrum 1 weight .10000E+01 volume .83848E-03 ppm1 8.399 ppm2 3.757 CV 1
ASSI { 47}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 143 and name HA ))
2.700 .900 .900 peak 47 spectrum 1 weight .10000E+01 volume .29705E-02 ppm1 8.038 ppm2 4.211 CV 1
ASSI { 176}
(( segid "B " and resid 142 and name H ))
( segid "B " and resid 143 and name HD1%)
5.100 3.200 .900 peak 176 spectrum 1 weight .10000E+01 volume .26495E-03 ppm1 8.229 ppm2 .852 CV 1
ASSI { 201}
(( segid "B " and resid 130 and name HD22))
(( segid "B " and resid 130 and name HB3 ))
4.300 2.300 1.700 peak 201 spectrum 1 weight .10000E+01 volume .74808E-03 ppm1 6.913 ppm2 2.748 CV 1
ASSI { 180}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 152 and name HA ))
3.000 1.200 1.200 peak 180 spectrum 1 weight .10000E+01 volume .17206E-02 ppm1 7.966 ppm2 4.118 CV 1
ASSI { 142}
(( segid "B " and resid 150 and name H ))
(( segid "B " and resid 150 and name HA ))
2.900 1.000 1.000 peak 142 spectrum 1 weight .10000E+01 volume .15897E-02 ppm1 7.754 ppm2 3.815 CV 1
ASSI { 20}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 159 and name HA3 ))
2.400 .700 .700 peak 20 spectrum 1 weight .10000E+01 volume .67266E-02 ppm1 8.398 ppm2 4.037 CV 1
OR { 20}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 159 and name HA2 ))
ASSI { 187}
(( segid "B " and resid 141 and name H ))
(( segid "B " and resid 140 and name HB3 ))
3.400 1.500 1.500 peak 187 spectrum 1 weight .10000E+01 volume .15055E-02 ppm1 8.241 ppm2 2.042 CV 1
OR { 187}
(( segid "B " and resid 141 and name H ))
(( segid "B " and resid 140 and name HB2 ))
ASSI { 121}
(( segid "B " and resid 131 and name H ))
( segid "B " and resid 131 and name HG2%)
2.800 1.000 1.000 peak 121 spectrum 1 weight .10000E+01 volume .30952E-02 ppm1 8.038 ppm2 .917 CV 1
OR { 121}
(( segid "B " and resid 131 and name H ))
( segid "B " and resid 131 and name HG1%)
ASSI { 163}
(( segid "B " and resid 119 and name H ))
(( segid "B " and resid 119 and name HB3 ))
3.700 1.700 1.700 peak 163 spectrum 1 weight .10000E+01 volume .11970E-02 ppm1 8.270 ppm2 3.032 CV 1
ASSI { 240}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 153 and name HD1 ))
2.700 .900 .900 peak 240 spectrum 1 weight .10000E+01 volume .34163E-02 ppm1 10.065 ppm2 7.020 CV 1
ASSI { 169}
(( segid "B " and resid 157 and name H ))
(( segid "B " and resid 156 and name HB2 ))
3.700 1.700 1.700 peak 169 spectrum 1 weight .10000E+01 volume .11876E-02 ppm1 8.398 ppm2 2.020 CV 1
ASSI { 145}
(( segid "B " and resid 156 and name H ))
(( segid "B " and resid 155 and name H ))
3.900 1.900 1.900 peak 145 spectrum 1 weight .10000E+01 volume .11377E-02 ppm1 8.287 ppm2 7.888 CV 1
ASSI { 97}
(( segid "B " and resid 115 and name H ))
(( segid "B " and resid 114 and name HA ))
2.500 .800 .800 peak 97 spectrum 1 weight .10000E+01 volume .36376E-02 ppm1 8.349 ppm2 4.325 CV 1
ASSI { 107}
(( segid "B " and resid 152 and name HE22))
(( segid "B " and resid 152 and name HE21))
1.500 .300 .700 peak 107 spectrum 1 weight .10000E+01 volume .33935E-01 ppm1 7.421 ppm2 6.771 CV 1
ASSI { 151}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 146 and name HB2 ))
3.200 1.300 1.300 peak 151 spectrum 1 weight .10000E+01 volume .12936E-02 ppm1 8.712 ppm2 3.924 CV 1
OR { 151}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 146 and name HB3 ))
ASSI { 202}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 123 and name HB2 ))
2.400 .700 .700 peak 202 spectrum 1 weight .10000E+01 volume .60378E-02 ppm1 7.851 ppm2 3.280 CV 1
OR { 202}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 123 and name HB3 ))
ASSI { 84}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 125 and name HA ))
2.800 1.000 1.000 peak 84 spectrum 1 weight .10000E+01 volume .22879E-02 ppm1 7.828 ppm2 4.275 CV 1
ASSI { 11}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 158 and name HB3 ))
3.900 1.900 1.900 peak 11 spectrum 1 weight .10000E+01 volume .10878E-02 ppm1 8.399 ppm2 2.223 CV 1
ASSI { 31}
(( segid "B " and resid 157 and name H ))
(( segid "B " and resid 156 and name HG2 ))
4.000 2.000 2.000 peak 31 spectrum 1 weight .10000E+01 volume .84784E-03 ppm1 8.396 ppm2 2.219 CV 1
ASSI { 178}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 145 and name H ))
3.900 1.900 1.900 peak 178 spectrum 1 weight .10000E+01 volume .74808E-03 ppm1 8.708 ppm2 7.979 CV 1
ASSI { 207}
(( segid "B " and resid 149 and name H ))
( segid "B " and resid 150 and name HG2%)
4.600 2.600 1.400 peak 207 spectrum 1 weight .10000E+01 volume .55797E-03 ppm1 7.941 ppm2 .791 CV 1
OR { 207}
(( segid "B " and resid 149 and name H ))
( segid "B " and resid 150 and name HD1%)
ASSI { 56}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 144 and name HG3 ))
3.500 1.600 1.600 peak 56 spectrum 1 weight .10000E+01 volume .12094E-02 ppm1 8.142 ppm2 2.494 CV 1
ASSI { 88}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 152 and name HB3 ))
3.100 1.200 1.200 peak 88 spectrum 1 weight .10000E+01 volume .15274E-02 ppm1 7.872 ppm2 1.864 CV 1
OR { 88}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 152 and name HB2 ))
ASSI { 134}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 146 and name HB3 ))
3.300 1.400 1.400 peak 134 spectrum 1 weight .10000E+01 volume .88213E-03 ppm1 8.119 ppm2 3.953 CV 1
ASSI { 94}
(( segid "B " and resid 155 and name H ))
(( segid "B " and resid 154 and name HB2 ))
3.700 1.700 1.700 peak 94 spectrum 1 weight .10000E+01 volume .10661E-02 ppm1 7.886 ppm2 3.055 CV 1
ASSI { 3}
(( segid "B " and resid 118 and name H ))
(( segid "B " and resid 117 and name H ))
3.400 1.500 1.500 peak 3 spectrum 1 weight .10000E+01 volume .53614E-03 ppm1 8.122 ppm2 8.479 CV 1
ASSI { 221}
(( segid "B " and resid 141 and name H ))
( segid "B " and resid 139 and name HB% )
3.900 1.900 1.900 peak 221 spectrum 1 weight .10000E+01 volume .48626E-03 ppm1 8.244 ppm2 1.387 CV 1
ASSI { 13}
(( segid "B " and resid 116 and name H ))
(( segid "B " and resid 115 and name HA ))
3.400 1.500 1.500 peak 13 spectrum 1 weight .10000E+01 volume .12749E-02 ppm1 8.525 ppm2 4.433 CV 1
ASSI { 158}
(( segid "B " and resid 133 and name H ))
(( segid "B " and resid 133 and name HB2 ))
3.100 1.200 1.200 peak 158 spectrum 1 weight .10000E+01 volume .17799E-02 ppm1 8.210 ppm2 3.811 CV 1
OR { 158}
(( segid "B " and resid 133 and name H ))
(( segid "B " and resid 133 and name HB3 ))
ASSI { 1}
(( segid "B " and resid 152 and name HE22))
(( segid "B " and resid 152 and name HG3 ))
3.300 1.400 1.400 peak 1 spectrum 1 weight .10000E+01 volume .33477E-02 ppm1 7.422 ppm2 2.125 CV 1
OR { 1}
(( segid "B " and resid 152 and name HE22))
(( segid "B " and resid 152 and name HG2 ))
ASSI { 100}
(( segid "B " and resid 131 and name H ))
(( segid "B " and resid 130 and name HA ))
2.600 .900 .900 peak 100 spectrum 1 weight .10000E+01 volume .36438E-02 ppm1 8.038 ppm2 4.748 CV 1
ASSI { 167}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 152 and name HB3 ))
2.500 .800 .800 peak 167 spectrum 1 weight .10000E+01 volume .43950E-02 ppm1 7.968 ppm2 1.868 CV 1
OR { 167}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 152 and name HB2 ))
ASSI { 208}
(( segid "B " and resid 129 and name H ))
(( segid "B " and resid 129 and name HB2 ))
3.700 1.700 1.700 peak 208 spectrum 1 weight .10000E+01 volume .10661E-02 ppm1 8.288 ppm2 2.728 CV 1
ASSI { 104}
(( segid "B " and resid 157 and name H ))
(( segid "B " and resid 157 and name HB3 ))
2.800 1.000 1.000 peak 104 spectrum 1 weight .10000E+01 volume .31669E-02 ppm1 8.397 ppm2 2.496 CV 1
ASSI { 143}
(( segid "B " and resid 138 and name H ))
(( segid "B " and resid 136 and name HG2 ))
3.900 1.900 1.900 peak 143 spectrum 1 weight .10000E+01 volume .65146E-03 ppm1 8.387 ppm2 1.986 CV 1
ASSI { 85}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 143 and name HG ))
4.500 2.500 1.500 peak 85 spectrum 1 weight .10000E+01 volume .35846E-03 ppm1 8.229 ppm2 1.589 CV 1
ASSI { 60}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 158 and name HA ))
2.400 2.400 3.600 peak 60 spectrum 1 weight .10000E+01 volume .66175E-02 ppm1 8.399 ppm2 4.428 CV 1
ASSI { 229}
(( segid "B " and resid 150 and name H ))
(( segid "B " and resid 149 and name HB3 ))
3.400 1.400 1.400 peak 229 spectrum 1 weight .10000E+01 volume .12905E-02 ppm1 7.753 ppm2 2.671 CV 1
OR { 229}
(( segid "B " and resid 150 and name H ))
(( segid "B " and resid 149 and name HB2 ))
ASSI { 72}
(( segid "B " and resid 118 and name H ))
(( segid "B " and resid 117 and name HB3 ))
3.300 1.400 1.400 peak 72 spectrum 1 weight .10000E+01 volume .91955E-03 ppm1 8.125 ppm2 1.934 CV 1
ASSI { 154}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 145 and name HB3 ))
2.400 .700 .700 peak 154 spectrum 1 weight .10000E+01 volume .47720E-02 ppm1 8.007 ppm2 1.610 CV 1
OR { 154}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 145 and name HG ))
OR { 154}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 145 and name HB2 ))
ASSI { 43}
(( segid "B " and resid 141 and name H ))
(( segid "B " and resid 140 and name HA ))
2.500 .800 .800 peak 43 spectrum 1 weight .10000E+01 volume .53491E-02 ppm1 8.241 ppm2 4.452 CV 1
ASSI { 80}
(( segid "B " and resid 150 and name H ))
( segid "B " and resid 150 and name HG2%)
2.800 1.000 1.000 peak 80 spectrum 1 weight .10000E+01 volume .24500E-02 ppm1 7.755 ppm2 .786 CV 1
OR { 80}
(( segid "B " and resid 150 and name H ))
( segid "B " and resid 150 and name HD1%)
ASSI { 64}
(( segid "B " and resid 155 and name H ))
( segid "B " and resid 155 and name HG2%)
3.100 1.200 1.200 peak 64 spectrum 1 weight .10000E+01 volume .16209E-02 ppm1 7.885 ppm2 1.160 CV 1
ASSI { 21}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 150 and name H ))
2.700 .900 .900 peak 21 spectrum 1 weight .10000E+01 volume .20261E-02 ppm1 8.166 ppm2 7.754 CV 1
ASSI { 42}
(( segid "B " and resid 114 and name H ))
(( segid "B " and resid 114 and name HB2 ))
2.600 .900 .900 peak 42 spectrum 1 weight .10000E+01 volume .65645E-02 ppm1 8.357 ppm2 1.639 CV 1
OR { 42}
(( segid "B " and resid 114 and name H ))
(( segid "B " and resid 114 and name HB3 ))
ASSI { 5}
(( segid "B " and resid 141 and name H ))
(( segid "B " and resid 141 and name HB2 ))
2.600 .900 .900 peak 5 spectrum 1 weight .10000E+01 volume .50994E-02 ppm1 8.241 ppm2 2.637 CV 1
OR { 5}
(( segid "B " and resid 141 and name H ))
(( segid "B " and resid 141 and name HB3 ))
ASSI { 242}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 153 and name HA ))
4.500 2.600 1.500 peak 242 spectrum 1 weight .10000E+01 volume .43016E-03 ppm1 10.064 ppm2 4.553 CV 1
ASSI { 23}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 144 and name HG2 ))
4.600 2.600 1.400 peak 23 spectrum 1 weight .10000E+01 volume .55797E-03 ppm1 8.009 ppm2 2.545 CV 1
ASSI { 92}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 152 and name HA ))
3.100 1.200 1.200 peak 92 spectrum 1 weight .10000E+01 volume .18858E-02 ppm1 7.872 ppm2 4.116 CV 1
ASSI { 106}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 136 and name HD3 ))
4.100 2.100 1.900 peak 106 spectrum 1 weight .10000E+01 volume .66705E-03 ppm1 8.301 ppm2 3.676 CV 1
ASSI { 181}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 151 and name HA ))
2.900 1.000 1.000 peak 181 spectrum 1 weight .10000E+01 volume .20760E-02 ppm1 8.167 ppm2 3.963 CV 1
ASSI { 133}
(( segid "B " and resid 125 and name H ))
(( segid "B " and resid 123 and name HA ))
3.400 1.500 1.500 peak 133 spectrum 1 weight .10000E+01 volume .60158E-03 ppm1 7.829 ppm2 4.485 CV 1
ASSI { 222}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 153 and name HB3 ))
4.500 2.500 1.500 peak 222 spectrum 1 weight .10000E+01 volume .45507E-03 ppm1 10.067 ppm2 3.017 CV 1
OR { 222}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 153 and name HB2 ))
ASSI { 223}
(( segid "B " and resid 126 and name H ))
(( segid "B " and resid 124 and name HA ))
3.400 1.500 1.500 peak 223 spectrum 1 weight .10000E+01 volume .63900E-03 ppm1 7.890 ppm2 4.066 CV 1
ASSI { 41}
(( segid "B " and resid 133 and name H ))
(( segid "B " and resid 132 and name HB3 ))
3.800 1.800 1.800 peak 41 spectrum 1 weight .10000E+01 volume .99121E-03 ppm1 8.213 ppm2 1.600 CV 1
OR { 41}
(( segid "B " and resid 133 and name H ))
(( segid "B " and resid 132 and name HB2 ))
OR { 41}
(( segid "B " and resid 133 and name H ))
(( segid "B " and resid 132 and name HG ))
ASSI { 218}
(( segid "B " and resid 130 and name HD22))
(( segid "B " and resid 130 and name HD21))
1.500 .300 .700 peak 218 spectrum 1 weight .10000E+01 volume .32483E-01 ppm1 6.911 ppm2 7.558 CV 1
ASSI { 160}
(( segid "B " and resid 140 and name H ))
(( segid "B " and resid 139 and name HA ))
2.500 .800 .800 peak 160 spectrum 1 weight .10000E+01 volume .44323E-02 ppm1 8.317 ppm2 4.296 CV 1
ASSI { 183}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 150 and name HA ))
3.000 1.100 1.100 peak 183 spectrum 1 weight .10000E+01 volume .17892E-02 ppm1 8.165 ppm2 3.816 CV 1
ASSI { 215}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 151 and name HG2 ))
3.500 1.500 1.500 peak 215 spectrum 1 weight .10000E+01 volume .20417E-02 ppm1 8.166 ppm2 2.169 CV 1
OR { 215}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 151 and name HG3 ))
ASSI { 63}
(( segid "B " and resid 133 and name H ))
(( segid "B " and resid 132 and name HA ))
2.500 .800 .800 peak 63 spectrum 1 weight .10000E+01 volume .45666E-02 ppm1 8.210 ppm2 4.386 CV 1
ASSI { 75}
(( segid "B " and resid 155 and name H ))
(( segid "B " and resid 155 and name HB ))
3.300 1.400 1.400 peak 75 spectrum 1 weight .10000E+01 volume .17705E-02 ppm1 7.886 ppm2 4.150 CV 1
ASSI { 146}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 124 and name H ))
2.500 .800 .800 peak 146 spectrum 1 weight .10000E+01 volume .26339E-02 ppm1 7.851 ppm2 7.552 CV 1
ASSI { 184}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 158 and name HD2 ))
3.000 1.100 1.100 peak 184 spectrum 1 weight .10000E+01 volume .11970E-02 ppm1 8.399 ppm2 3.745 CV 1
ASSI { 155}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 127 and name HA ))
2.400 .700 .700 peak 155 spectrum 1 weight .10000E+01 volume .54767E-02 ppm1 8.721 ppm2 4.361 CV 1
ASSI { 22}
(( segid "B " and resid 155 and name H ))
(( segid "B " and resid 154 and name HA ))
2.700 .900 .900 peak 22 spectrum 1 weight .10000E+01 volume .33914E-02 ppm1 7.885 ppm2 4.653 CV 1
ASSI { 12}
(( segid "B " and resid 131 and name H ))
(( segid "B " and resid 131 and name HA ))
3.000 1.100 1.100 peak 12 spectrum 1 weight .10000E+01 volume .15118E-02 ppm1 8.038 ppm2 4.091 CV 1
ASSI { 230}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 122 and name HB2 ))
2.900 1.000 1.000 peak 230 spectrum 1 weight .10000E+01 volume .15554E-02 ppm1 7.851 ppm2 1.523 CV 1
OR { 230}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 122 and name HG ))
ASSI { 217}
(( segid "B " and resid 157 and name H ))
(( segid "B " and resid 156 and name HB3 ))
3.900 1.900 1.900 peak 217 spectrum 1 weight .10000E+01 volume .87899E-03 ppm1 8.398 ppm2 1.868 CV 1
ASSI { 108}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 124 and name HA ))
2.700 .900 .900 peak 108 spectrum 1 weight .10000E+01 volume .29612E-02 ppm1 7.563 ppm2 4.054 CV 1
ASSI { 16}
(( segid "B " and resid 155 and name H ))
( segid "B " and resid 154 and name HD% )
3.700 1.700 1.700 peak 16 spectrum 1 weight .10000E+01 volume .54546E-03 ppm1 7.887 ppm2 7.179 CV 1
ASSI { 239}
(( segid "B " and resid 126 and name H ))
( segid "B " and resid 126 and name HD1%)
3.000 1.100 1.100 peak 239 spectrum 1 weight .10000E+01 volume .17144E-02 ppm1 7.890 ppm2 .891 CV 1
OR { 239}
(( segid "B " and resid 126 and name H ))
( segid "B " and resid 126 and name HD2%)
ASSI { 125}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 126 and name HB2 ))
3.200 1.300 1.300 peak 125 spectrum 1 weight .10000E+01 volume .69820E-03 ppm1 8.719 ppm2 1.571 CV 1
OR { 125}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 126 and name HB3 ))
ASSI { 179}
(( segid "B " and resid 115 and name H ))
(( segid "B " and resid 114 and name HB2 ))
4.100 2.100 1.900 peak 179 spectrum 1 weight .10000E+01 volume .63900E-03 ppm1 8.346 ppm2 1.611 CV 1
OR { 179}
(( segid "B " and resid 115 and name H ))
(( segid "B " and resid 114 and name HB3 ))
ASSI { 44}
(( segid "B " and resid 138 and name H ))
(( segid "B " and resid 138 and name HB3 ))
3.800 1.800 1.800 peak 44 spectrum 1 weight .10000E+01 volume .43950E-03 ppm1 8.381 ppm2 2.114 CV 1
OR { 44}
(( segid "B " and resid 138 and name H ))
(( segid "B " and resid 138 and name HG3 ))
ASSI { 62}
(( segid "B " and resid 142 and name H ))
( segid "B " and resid 139 and name HB% )
3.100 3.100 2.900 peak 62 spectrum 1 weight .10000E+01 volume .45507E-03 ppm1 8.229 ppm2 1.395 CV 1
ASSI { 101}
(( segid "B " and resid 122 and name H ))
( segid "B " and resid 122 and name HD2%)
4.200 2.200 1.800 peak 101 spectrum 1 weight .10000E+01 volume .95693E-03 ppm1 7.932 ppm2 .810 CV 1
OR { 101}
(( segid "B " and resid 122 and name H ))
( segid "B " and resid 122 and name HD1%)
ASSI { 123}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 147 and name HB3 ))
3.500 1.500 1.500 peak 123 spectrum 1 weight .10000E+01 volume .19450E-02 ppm1 8.121 ppm2 1.938 CV 1
ASSI { 209}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 152 and name HG2 ))
4.000 2.000 2.000 peak 209 spectrum 1 weight .10000E+01 volume .77614E-03 ppm1 7.871 ppm2 2.138 CV 1
OR { 209}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 152 and name HG3 ))
ASSI { 34}
(( segid "B " and resid 129 and name HD21))
(( segid "B " and resid 128 and name HB3 ))
4.100 2.100 1.900 peak 34 spectrum 1 weight .10000E+01 volume .52055E-03 ppm1 7.559 ppm2 1.972 CV 1
OR { 34}
(( segid "B " and resid 129 and name HD21))
(( segid "B " and resid 128 and name HB2 ))
ASSI { 46}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 158 and name HG3 ))
3.300 1.300 1.300 peak 46 spectrum 1 weight .10000E+01 volume .21633E-02 ppm1 8.398 ppm2 1.990 CV 1
OR { 46}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 158 and name HG2 ))
ASSI { 96}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 122 and name HG ))
2.100 .500 .500 peak 96 spectrum 1 weight .10000E+01 volume .71380E-02 ppm1 7.932 ppm2 1.514 CV 1
OR { 96}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 122 and name HB2 ))
ASSI { 171}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 145 and name HB2 ))
4.100 2.100 1.900 peak 171 spectrum 1 weight .10000E+01 volume .81665E-03 ppm1 8.713 ppm2 1.567 CV 1
OR { 171}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 145 and name HG ))
ASSI { 166}
(( segid "B " and resid 153 and name HE1 ))
(( segid "B " and resid 153 and name HZ2 ))
3.000 1.100 1.100 peak 166 spectrum 1 weight .10000E+01 volume .20012E-02 ppm1 10.064 ppm2 7.348 CV 1
ASSI { 129}
(( segid "B " and resid 131 and name H ))
(( segid "B " and resid 131 and name HB ))
3.100 1.200 1.200 peak 129 spectrum 1 weight .10000E+01 volume .23066E-02 ppm1 8.038 ppm2 2.094 CV 1
ASSI { 9}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 144 and name HB2 ))
2.900 1.000 1.000 peak 9 spectrum 1 weight .10000E+01 volume .15585E-02 ppm1 8.007 ppm2 2.024 CV 1
OR { 9}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 144 and name HB3 ))
ASSI { 210}
(( segid "B " and resid 140 and name H ))
(( segid "B " and resid 140 and name HG2 ))
3.600 1.600 1.600 peak 210 spectrum 1 weight .10000E+01 volume .10629E-02 ppm1 8.320 ppm2 2.553 CV 1
ASSI { 175}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 127 and name HD3 ))
3.000 3.000 3.000 peak 175 spectrum 1 weight .10000E+01 volume .57043E-03 ppm1 8.719 ppm2 3.641 CV 1
ASSI { 204}
(( segid "B " and resid 148 and name H ))
(( segid "B " and resid 147 and name HB2 ))
3.300 1.400 1.400 peak 204 spectrum 1 weight .10000E+01 volume .96006E-03 ppm1 8.123 ppm2 2.213 CV 1
ASSI { 48}
(( segid "B " and resid 123 and name HE1 ))
(( segid "B " and resid 123 and name HZ2 ))
2.800 1.000 1.000 peak 48 spectrum 1 weight .10000E+01 volume .27648E-02 ppm1 10.175 ppm2 7.407 CV 1
ASSI { 227}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 122 and name HA ))
2.700 .900 .900 peak 227 spectrum 1 weight .10000E+01 volume .28615E-02 ppm1 7.932 ppm2 4.067 CV 1
ASSI { 153}
(( segid "B " and resid 153 and name HE1 ))
( segid "B " and resid 150 and name HG2%)
4.200 2.200 1.800 peak 153 spectrum 1 weight .10000E+01 volume .42392E-03 ppm1 10.062 ppm2 .816 CV 1
OR { 153}
(( segid "B " and resid 153 and name HE1 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 243}
(( segid "B " and resid 121 and name H ))
(( segid "B " and resid 121 and name HB2 ))
2.800 1.000 1.000 peak 243 spectrum 1 weight .10000E+01 volume .18640E-02 ppm1 8.261 ppm2 2.589 CV 1
ASSI { 57}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 142 and name H ))
2.600 .800 .800 peak 57 spectrum 1 weight .10000E+01 volume .42236E-02 ppm1 8.038 ppm2 8.211 CV 1
ASSI { 132}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 144 and name HB2 ))
4.300 2.300 1.700 peak 132 spectrum 1 weight .10000E+01 volume .48312E-03 ppm1 8.038 ppm2 2.049 CV 1
OR { 132}
(( segid "B " and resid 143 and name H ))
( segid "B " and resid 144 and name HE% )
OR { 132}
(( segid "B " and resid 143 and name H ))
(( segid "B " and resid 144 and name HB3 ))
ASSI { 8}
(( segid "B " and resid 138 and name HE21))
(( segid "B " and resid 138 and name HG2 ))
2.800 .900 .900 peak 8 spectrum 1 weight .10000E+01 volume .25123E-02 ppm1 7.607 ppm2 2.359 CV 1
OR { 8}
(( segid "B " and resid 138 and name HE21))
(( segid "B " and resid 138 and name HG3 ))
ASSI { 213}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 122 and name HB3 ))
3.800 1.800 1.800 peak 213 spectrum 1 weight .10000E+01 volume .10317E-02 ppm1 7.851 ppm2 1.385 CV 1
ASSI { 103}
(( segid "B " and resid 154 and name H ))
(( segid "B " and resid 154 and name HB3 ))
2.900 1.000 1.000 peak 103 spectrum 1 weight .10000E+01 volume .17985E-02 ppm1 7.925 ppm2 2.864 CV 1
ASSI { 111}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 124 and name HG3 ))
2.900 1.100 1.100 peak 111 spectrum 1 weight .10000E+01 volume .24843E-02 ppm1 7.564 ppm2 1.117 CV 1
OR { 111}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 124 and name HG2 ))
ASSI { 197}
(( segid "B " and resid 152 and name HE22))
(( segid "B " and resid 152 and name HB2 ))
4.200 2.200 1.800 peak 197 spectrum 1 weight .10000E+01 volume .85407E-03 ppm1 7.421 ppm2 1.870 CV 1
OR { 197}
(( segid "B " and resid 152 and name HE22))
(( segid "B " and resid 152 and name HB3 ))
ASSI { 136}
(( segid "B " and resid 129 and name HD22))
(( segid "B " and resid 132 and name HG ))
3.800 1.800 1.800 peak 136 spectrum 1 weight .10000E+01 volume .56420E-03 ppm1 6.786 ppm2 1.638 CV 1
OR { 136}
(( segid "B " and resid 129 and name HD22))
(( segid "B " and resid 132 and name HB2 ))
ASSI { 212}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 153 and name HA ))
3.000 1.100 1.100 peak 212 spectrum 1 weight .10000E+01 volume .16427E-02 ppm1 7.870 ppm2 4.558 CV 1
ASSI { 114}
(( segid "B " and resid 129 and name HD22))
(( segid "B " and resid 129 and name HD21))
1.600 .300 .600 peak 114 spectrum 1 weight .10000E+01 volume .23743E-01 ppm1 6.786 ppm2 7.556 CV 1
ASSI { 550}
(( segid "B " and resid 149 and name HB2 ))
(( segid "B " and resid 150 and name H ))
3.400 1.400 1.400 peak 550 spectrum 1 weight .10000E+01 volume .10784E-02 ppm1 2.619 ppm2 7.755 CV 1
ASSI { 128}
(( segid "B " and resid 153 and name HZ3 ))
(( segid "B " and resid 153 and name HE3 ))
3.100 1.200 1.200 peak 128 spectrum 1 weight .10000E+01 volume .16228E-02 ppm1 6.957 ppm2 7.397 CV 1
ASSI { 171}
(( segid "B " and resid 119 and name HB2 ))
( segid "B " and resid 122 and name HD1%)
4.800 2.800 1.200 peak 171 spectrum 1 weight .10000E+01 volume .61249E-03 ppm1 3.143 ppm2 .851 CV 1
ASSI { 563}
( segid "B " and resid 126 and name HD1%)
(( segid "B " and resid 123 and name HZ2 ))
3.100 3.100 2.900 peak 563 spectrum 1 weight .10000E+01 volume .51825E-03 ppm1 .938 ppm2 7.399 CV 1
ASSI { 412}
(( segid "B " and resid 119 and name HB3 ))
( segid "B " and resid 119 and name HD% )
2.600 .900 .900 peak 412 spectrum 1 weight .10000E+01 volume .38791E-02 ppm1 3.035 ppm2 7.206 CV 1
ASSI { 150}
(( segid "B " and resid 123 and name HZ2 ))
(( segid "B " and resid 124 and name HD3 ))
4.000 2.000 2.000 peak 150 spectrum 1 weight .10000E+01 volume .58633E-03 ppm1 7.442 ppm2 1.589 CV 1
OR { 150}
(( segid "B " and resid 123 and name HZ2 ))
(( segid "B " and resid 124 and name HD2 ))
OR { 150}
(( segid "B " and resid 123 and name HZ2 ))
(( segid "B " and resid 124 and name HB2 ))
ASSI { 528}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 124 and name HG2 ))
4.000 2.000 2.000 peak 528 spectrum 1 weight .10000E+01 volume .48162E-03 ppm1 7.532 ppm2 1.116 CV 1
OR { 528}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 124 and name HG3 ))
ASSI { 91}
(( segid "B " and resid 136 and name HD3 ))
( segid "B " and resid 135 and name HD1%)
3.100 1.200 1.200 peak 91 spectrum 1 weight .10000E+01 volume .35598E-02 ppm1 3.647 ppm2 .914 CV 1
ASSI { 22}
( segid "B " and resid 119 and name HD% )
(( segid "B " and resid 119 and name HB2 ))
2.700 .900 .900 peak 22 spectrum 1 weight .10000E+01 volume .29159E-02 ppm1 7.208 ppm2 3.140 CV 1
ASSI { 580}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 154 and name HB3 ))
4.200 2.200 1.800 peak 580 spectrum 1 weight .10000E+01 volume .59155E-03 ppm1 .797 ppm2 2.845 CV 1
ASSI { 133}
( segid "B " and resid 144 and name HE% )
(( segid "A " and resid 48 and name HD1 ))
3.900 1.900 1.900 peak 133 spectrum 1 weight .10000E+01 volume .57060E-03 ppm1 2.041 ppm2 6.911 CV 1
ASSI { 324}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 123 and name HB3 ))
2.300 .700 .700 peak 324 spectrum 1 weight .10000E+01 volume .68945E-02 ppm1 4.495 ppm2 3.287 CV 1
OR { 324}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 123 and name HB2 ))
ASSI { 497}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 151 and name HG2 ))
3.800 1.800 1.800 peak 497 spectrum 1 weight .10000E+01 volume .10365E-02 ppm1 .771 ppm2 2.171 CV 1
OR { 497}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 151 and name HG3 ))
ASSI { 378}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 155 and name HB ))
2.200 .600 .600 peak 378 spectrum 1 weight .10000E+01 volume .94018E-02 ppm1 1.167 ppm2 4.165 CV 1
ASSI { 193}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 159 and name H ))
2.700 .900 .900 peak 193 spectrum 1 weight .10000E+01 volume .29420E-02 ppm1 4.076 ppm2 8.397 CV 1
ASSI { 281}
(( segid "B " and resid 135 and name HB2 ))
(( segid "B " and resid 135 and name H ))
2.500 .800 .800 peak 281 spectrum 1 weight .10000E+01 volume .40257E-02 ppm1 1.568 ppm2 8.298 CV 1
ASSI { 556}
(( segid "B " and resid 145 and name HA ))
(( segid "B " and resid 146 and name H ))
2.400 .700 .700 peak 556 spectrum 1 weight .10000E+01 volume .44601E-02 ppm1 4.440 ppm2 8.712 CV 1
ASSI { 498}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 150 and name H ))
3.700 1.700 1.700 peak 498 spectrum 1 weight .10000E+01 volume .14239E-02 ppm1 .771 ppm2 7.752 CV 1
ASSI { 151}
( segid "B " and resid 150 and name HG2%)
( segid "B " and resid 154 and name HD% )
3.000 1.200 1.200 peak 151 spectrum 1 weight .10000E+01 volume .24238E-02 ppm1 .793 ppm2 7.149 CV 1
ASSI { 430}
(( segid "B " and resid 123 and name HZ3 ))
(( segid "B " and resid 124 and name HA ))
4.200 2.200 1.800 peak 430 spectrum 1 weight .10000E+01 volume .35598E-03 ppm1 7.095 ppm2 4.095 CV 1
ASSI { 415}
(( segid "B " and resid 139 and name HA ))
(( segid "B " and resid 140 and name HB2 ))
3.500 1.600 1.600 peak 415 spectrum 1 weight .10000E+01 volume .13716E-02 ppm1 4.295 ppm2 2.019 CV 1
OR { 415}
(( segid "B " and resid 139 and name HA ))
( segid "B " and resid 140 and name HE% )
ASSI { 42}
( segid "B " and resid 131 and name HG1%)
(( segid "B " and resid 133 and name H ))
3.300 1.400 1.400 peak 42 spectrum 1 weight .10000E+01 volume .19003E-02 ppm1 .942 ppm2 8.183 CV 1
OR { 42}
( segid "B " and resid 131 and name HG2%)
(( segid "B " and resid 133 and name H ))
ASSI { 443}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 154 and name HB2 ))
3.900 1.900 1.900 peak 443 spectrum 1 weight .10000E+01 volume .63343E-03 ppm1 .771 ppm2 3.023 CV 1
ASSI { 302}
(( segid "B " and resid 135 and name HG ))
(( segid "B " and resid 135 and name H ))
3.400 1.400 1.400 peak 302 spectrum 1 weight .10000E+01 volume .25547E-02 ppm1 1.700 ppm2 8.297 CV 1
ASSI { 297}
(( segid "B " and resid 128 and name HB2 ))
(( segid "B " and resid 128 and name H ))
3.200 1.200 1.200 peak 297 spectrum 1 weight .10000E+01 volume .11883E-02 ppm1 2.021 ppm2 8.714 CV 1
ASSI { 387}
(( segid "B " and resid 157 and name HB2 ))
(( segid "B " and resid 158 and name HD2 ))
2.700 .900 .900 peak 387 spectrum 1 weight .10000E+01 volume .29106E-02 ppm1 2.723 ppm2 3.743 CV 1
ASSI { 445}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name HG2 ))
2.500 .800 .800 peak 445 spectrum 1 weight .10000E+01 volume .45229E-02 ppm1 4.056 ppm2 1.131 CV 1
OR { 445}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name HG3 ))
ASSI { 382}
(( segid "B " and resid 144 and name HG3 ))
(( segid "B " and resid 144 and name HB3 ))
2.300 .700 .700 peak 382 spectrum 1 weight .10000E+01 volume .84599E-02 ppm1 2.461 ppm2 2.035 CV 1
OR { 382}
(( segid "B " and resid 144 and name HG3 ))
(( segid "B " and resid 144 and name HB2 ))
OR { 382}
(( segid "B " and resid 144 and name HG3 ))
( segid "B " and resid 144 and name HE% )
ASSI { 343}
(( segid "B " and resid 124 and name HE3 ))
(( segid "B " and resid 124 and name HG2 ))
2.500 .800 .800 peak 343 spectrum 1 weight .10000E+01 volume .52770E-02 ppm1 2.922 ppm2 1.122 CV 1
OR { 343}
(( segid "B " and resid 124 and name HE2 ))
(( segid "B " and resid 124 and name HG3 ))
OR { 343}
(( segid "B " and resid 124 and name HE3 ))
(( segid "B " and resid 124 and name HG3 ))
OR { 343}
(( segid "B " and resid 124 and name HE2 ))
(( segid "B " and resid 124 and name HG2 ))
ASSI { 17}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 152 and name HG2 ))
4.100 2.100 1.900 peak 17 spectrum 1 weight .10000E+01 volume .63869E-03 ppm1 7.024 ppm2 2.129 CV 1
OR { 17}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 152 and name HG3 ))
ASSI { 464}
( segid "B " and resid 135 and name HD1%)
(( segid "B " and resid 136 and name HD2 ))
3.200 1.200 1.200 peak 464 spectrum 1 weight .10000E+01 volume .10941E-02 ppm1 .929 ppm2 3.802 CV 1
ASSI { 260}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 150 and name HA ))
3.800 1.800 1.800 peak 260 spectrum 1 weight .10000E+01 volume .63343E-03 ppm1 7.017 ppm2 3.798 CV 1
ASSI { 161}
(( segid "B " and resid 148 and name HA ))
(( segid "B " and resid 148 and name H ))
2.700 .900 .900 peak 161 spectrum 1 weight .10000E+01 volume .35703E-02 ppm1 4.470 ppm2 8.133 CV 1
ASSI { 511}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name HE3 ))
4.100 2.100 1.900 peak 511 spectrum 1 weight .10000E+01 volume .84285E-03 ppm1 4.058 ppm2 2.936 CV 1
OR { 511}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name HE2 ))
ASSI { 501}
( segid "B " and resid 119 and name HD% )
(( segid "B " and resid 116 and name HB2 ))
2.900 2.900 3.100 peak 501 spectrum 1 weight .10000E+01 volume .70147E-03 ppm1 7.182 ppm2 1.992 CV 1
ASSI { 506}
(( segid "B " and resid 128 and name HB3 ))
(( segid "B " and resid 128 and name H ))
3.500 1.500 1.500 peak 506 spectrum 1 weight .10000E+01 volume .97893E-03 ppm1 1.952 ppm2 8.713 CV 1
ASSI { 544}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 150 and name HB ))
2.400 .700 .700 peak 544 spectrum 1 weight .10000E+01 volume .53658E-02 ppm1 .769 ppm2 1.818 CV 1
ASSI { 323}
(( segid "B " and resid 123 and name HE3 ))
( segid "B " and resid 126 and name HD1%)
3.500 1.500 1.500 peak 323 spectrum 1 weight .10000E+01 volume .80097E-03 ppm1 7.525 ppm2 .878 CV 1
OR { 323}
(( segid "B " and resid 123 and name HE3 ))
( segid "B " and resid 126 and name HD2%)
ASSI { 360}
(( segid "B " and resid 118 and name HB ))
( segid "B " and resid 118 and name HG2%)
2.300 .600 .600 peak 360 spectrum 1 weight .10000E+01 volume .97685E-02 ppm1 4.126 ppm2 1.116 CV 1
ASSI { 59}
(( segid "B " and resid 124 and name HD3 ))
(( segid "B " and resid 124 and name H ))
4.500 2.500 1.500 peak 59 spectrum 1 weight .10000E+01 volume .47115E-03 ppm1 1.592 ppm2 7.573 CV 1
OR { 59}
(( segid "B " and resid 124 and name HD2 ))
(( segid "B " and resid 124 and name H ))
ASSI { 153}
(( segid "B " and resid 126 and name HA ))
(( segid "B " and resid 126 and name H ))
2.700 .900 .900 peak 153 spectrum 1 weight .10000E+01 volume .22929E-02 ppm1 4.590 ppm2 7.884 CV 1
ASSI { 338}
( segid "B " and resid 122 and name HD1%)
(( segid "B " and resid 122 and name H ))
3.800 1.800 1.800 peak 338 spectrum 1 weight .10000E+01 volume .16281E-02 ppm1 .842 ppm2 7.933 CV 1
ASSI { 380}
( segid "B " and resid 144 and name HE% )
(( segid "B " and resid 144 and name H ))
3.700 1.700 1.700 peak 380 spectrum 1 weight .10000E+01 volume .65959E-03 ppm1 2.033 ppm2 8.151 CV 1
ASSI { 177}
(( segid "B " and resid 119 and name HA ))
(( segid "B " and resid 119 and name HB2 ))
2.500 .800 .800 peak 177 spectrum 1 weight .10000E+01 volume .52457E-02 ppm1 4.569 ppm2 3.147 CV 1
ASSI { 542}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 150 and name H ))
2.700 .900 .900 peak 542 spectrum 1 weight .10000E+01 volume .24185E-02 ppm1 .794 ppm2 7.760 CV 1
ASSI { 462}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 150 and name HB ))
2.700 .900 .900 peak 462 spectrum 1 weight .10000E+01 volume .17275E-02 ppm1 1.063 ppm2 1.816 CV 1
ASSI { 292}
(( segid "B " and resid 155 and name HA ))
(( segid "B " and resid 156 and name H ))
2.500 .800 .800 peak 292 spectrum 1 weight .10000E+01 volume .43084E-02 ppm1 4.291 ppm2 8.286 CV 1
ASSI { 202}
( segid "B " and resid 119 and name HE% )
(( segid "B " and resid 119 and name HA ))
4.600 2.700 1.400 peak 202 spectrum 1 weight .10000E+01 volume .58108E-03 ppm1 7.300 ppm2 4.543 CV 1
ASSI { 210}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 150 and name H ))
2.900 1.000 1.000 peak 210 spectrum 1 weight .10000E+01 volume .16176E-02 ppm1 1.064 ppm2 7.753 CV 1
ASSI { 583}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 123 and name HA ))
2.700 .900 .900 peak 583 spectrum 1 weight .10000E+01 volume .31410E-02 ppm1 3.262 ppm2 4.503 CV 1
ASSI { 141}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 122 and name HB3 ))
3.600 1.600 1.600 peak 141 spectrum 1 weight .10000E+01 volume .73814E-03 ppm1 4.497 ppm2 1.359 CV 1
ASSI { 374}
(( segid "B " and resid 132 and name HA ))
( segid "B " and resid 132 and name HD2%)
2.500 .800 .800 peak 374 spectrum 1 weight .10000E+01 volume .55492E-02 ppm1 4.390 ppm2 .868 CV 1
OR { 374}
(( segid "B " and resid 132 and name HA ))
( segid "B " and resid 132 and name HD1%)
ASSI { 286}
(( segid "B " and resid 124 and name HD3 ))
(( segid "B " and resid 121 and name HA ))
3.400 1.500 1.500 peak 286 spectrum 1 weight .10000E+01 volume .70673E-03 ppm1 1.592 ppm2 4.547 CV 1
OR { 286}
(( segid "B " and resid 124 and name HD2 ))
(( segid "B " and resid 121 and name HA ))
ASSI { 165}
(( segid "B " and resid 143 and name HB2 ))
(( segid "B " and resid 143 and name HA ))
2.700 .900 .900 peak 165 spectrum 1 weight .10000E+01 volume .32509E-02 ppm1 1.515 ppm2 4.223 CV 1
ASSI { 446}
( segid "B " and resid 122 and name HD2%)
(( segid "B " and resid 119 and name HA ))
3.900 1.900 1.900 peak 446 spectrum 1 weight .10000E+01 volume .10993E-02 ppm1 .769 ppm2 4.546 CV 1
ASSI { 362}
( segid "B " and resid 144 and name HE% )
( segid "B " and resid 143 and name HD1%)
2.800 1.000 1.000 peak 362 spectrum 1 weight .10000E+01 volume .28321E-02 ppm1 2.043 ppm2 .884 CV 1
ASSI { 277}
(( segid "B " and resid 134 and name HA ))
(( segid "B " and resid 135 and name HB3 ))
3.600 1.600 1.600 peak 277 spectrum 1 weight .10000E+01 volume .25756E-02 ppm1 4.443 ppm2 1.624 CV 1
ASSI { 313}
(( segid "B " and resid 154 and name HB2 ))
( segid "B " and resid 150 and name HD1%)
4.000 2.000 2.000 peak 313 spectrum 1 weight .10000E+01 volume .49209E-03 ppm1 3.072 ppm2 .790 CV 1
OR { 313}
(( segid "B " and resid 154 and name HB2 ))
( segid "B " and resid 150 and name HG2%)
ASSI { 23}
(( segid "B " and resid 119 and name HB2 ))
(( segid "B " and resid 119 and name HB3 ))
1.500 .300 .700 peak 23 spectrum 1 weight .10000E+01 volume .25882E-01 ppm1 3.144 ppm2 3.004 CV 1
ASSI { 224}
(( segid "B " and resid 148 and name HB2 ))
(( segid "B " and resid 149 and name H ))
3.500 1.500 1.500 peak 224 spectrum 1 weight .10000E+01 volume .11569E-02 ppm1 2.506 ppm2 7.931 CV 1
ASSI { 402}
(( segid "B " and resid 147 and name HG2 ))
(( segid "B " and resid 147 and name HA ))
3.700 1.700 1.700 peak 402 spectrum 1 weight .10000E+01 volume .13611E-02 ppm1 2.032 ppm2 4.250 CV 1
OR { 402}
(( segid "B " and resid 147 and name HG3 ))
(( segid "B " and resid 147 and name HA ))
ASSI { 322}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 123 and name HZ3 ))
3.000 1.100 1.100 peak 322 spectrum 1 weight .10000E+01 volume .18008E-02 ppm1 7.528 ppm2 7.081 CV 1
ASSI { 89}
(( segid "B " and resid 151 and name HA ))
(( segid "B " and resid 152 and name H ))
2.900 1.000 1.000 peak 89 spectrum 1 weight .10000E+01 volume .24866E-02 ppm1 3.968 ppm2 7.954 CV 1
ASSI { 142}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 124 and name HG2 ))
2.600 .800 .800 peak 142 spectrum 1 weight .10000E+01 volume .39995E-02 ppm1 1.710 ppm2 1.117 CV 1
OR { 142}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 124 and name HG3 ))
ASSI { 459}
(( segid "B " and resid 127 and name HB2 ))
(( segid "B " and resid 128 and name H ))
4.100 2.100 1.900 peak 459 spectrum 1 weight .10000E+01 volume .10103E-02 ppm1 1.918 ppm2 8.714 CV 1
ASSI { 237}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 151 and name HA ))
3.300 1.400 1.400 peak 237 spectrum 1 weight .10000E+01 volume .92657E-03 ppm1 1.165 ppm2 3.968 CV 1
ASSI { 300}
(( segid "B " and resid 154 and name HB2 ))
(( segid "B " and resid 154 and name HB3 ))
1.900 .500 .500 peak 300 spectrum 1 weight .10000E+01 volume .54913E-02 ppm1 3.071 ppm2 2.866 CV 1
ASSI { 294}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 147 and name HA ))
2.900 1.000 1.000 peak 294 spectrum 1 weight .10000E+01 volume .19003E-02 ppm1 .771 ppm2 4.284 CV 1
ASSI { 104}
(( segid "B " and resid 144 and name HG2 ))
(( segid "B " and resid 145 and name HG ))
3.900 1.900 1.900 peak 104 spectrum 1 weight .10000E+01 volume .82191E-03 ppm1 2.582 ppm2 1.590 CV 1
OR { 104}
(( segid "B " and resid 144 and name HG2 ))
(( segid "B " and resid 145 and name HB3 ))
OR { 104}
(( segid "B " and resid 144 and name HG2 ))
(( segid "B " and resid 145 and name HB2 ))
ASSI { 145}
(( segid "B " and resid 155 and name HA ))
(( segid "B " and resid 156 and name HB3 ))
4.300 2.300 1.700 peak 145 spectrum 1 weight .10000E+01 volume .69626E-03 ppm1 4.291 ppm2 1.895 CV 1
ASSI { 33}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 153 and name HZ2 ))
3.800 1.800 1.800 peak 33 spectrum 1 weight .10000E+01 volume .54966E-03 ppm1 .800 ppm2 7.400 CV 1
OR { 33}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 153 and name HE3 ))
ASSI { 345}
(( segid "B " and resid 118 and name HB ))
(( segid "B " and resid 122 and name HG ))
3.300 1.400 1.400 peak 345 spectrum 1 weight .10000E+01 volume .90042E-03 ppm1 4.120 ppm2 1.579 CV 1
ASSI { 67}
(( segid "B " and resid 124 and name HD2 ))
(( segid "B " and resid 124 and name HA ))
3.900 1.900 1.900 peak 67 spectrum 1 weight .10000E+01 volume .99987E-03 ppm1 1.594 ppm2 4.062 CV 1
OR { 67}
(( segid "B " and resid 124 and name HD3 ))
(( segid "B " and resid 124 and name HA ))
ASSI { 325}
(( segid "B " and resid 152 and name HB3 ))
(( segid "B " and resid 152 and name H ))
3.200 1.200 1.200 peak 325 spectrum 1 weight .10000E+01 volume .28164E-02 ppm1 1.894 ppm2 7.951 CV 1
ASSI { 454}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 123 and name HD1 ))
4.200 2.200 1.800 peak 454 spectrum 1 weight .10000E+01 volume .10208E-02 ppm1 4.494 ppm2 7.255 CV 1
ASSI { 289}
(( segid "B " and resid 144 and name HG3 ))
(( segid "B " and resid 145 and name H ))
4.300 2.300 1.700 peak 289 spectrum 1 weight .10000E+01 volume .67006E-03 ppm1 2.464 ppm2 8.010 CV 1
ASSI { 16}
(( segid "B " and resid 120 and name HA ))
(( segid "B " and resid 123 and name HD1 ))
3.400 1.400 1.400 peak 16 spectrum 1 weight .10000E+01 volume .74861E-03 ppm1 4.289 ppm2 7.232 CV 1
ASSI { 51}
(( segid "B " and resid 144 and name HG3 ))
(( segid "B " and resid 144 and name HA ))
2.900 1.100 1.100 peak 51 spectrum 1 weight .10000E+01 volume .14187E-02 ppm1 2.464 ppm2 4.406 CV 1
ASSI { 46}
(( segid "B " and resid 129 and name HB2 ))
(( segid "B " and resid 129 and name HD22))
4.300 2.300 1.700 peak 46 spectrum 1 weight .10000E+01 volume .73288E-03 ppm1 2.707 ppm2 6.784 CV 1
ASSI { 392}
(( segid "B " and resid 130 and name HB3 ))
(( segid "B " and resid 132 and name HA ))
3.800 1.800 1.800 peak 392 spectrum 1 weight .10000E+01 volume .77477E-03 ppm1 2.721 ppm2 4.391 CV 1
ASSI { 240}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 160 and name HD3 ))
2.400 .700 .700 peak 240 spectrum 1 weight .10000E+01 volume .62296E-02 ppm1 4.075 ppm2 3.599 CV 1
OR { 240}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 160 and name HD2 ))
ASSI { 53}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 151 and name H ))
3.600 1.600 1.600 peak 53 spectrum 1 weight .10000E+01 volume .91610E-03 ppm1 .769 ppm2 8.152 CV 1
ASSI { 418}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 150 and name HB ))
2.200 .600 .600 peak 418 spectrum 1 weight .10000E+01 volume .83605E-02 ppm1 .793 ppm2 1.818 CV 1
ASSI { 541}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 124 and name HE2 ))
4.300 2.300 1.700 peak 541 spectrum 1 weight .10000E+01 volume .50778E-03 ppm1 1.616 ppm2 2.926 CV 1
OR { 541}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 124 and name HE3 ))
ASSI { 456}
(( segid "B " and resid 116 and name HA ))
( segid "B " and resid 119 and name HD% )
3.400 1.400 1.400 peak 456 spectrum 1 weight .10000E+01 volume .81665E-03 ppm1 4.326 ppm2 7.206 CV 1
ASSI { 58}
(( segid "B " and resid 115 and name HB2 ))
(( segid "B " and resid 116 and name H ))
3.500 1.500 1.500 peak 58 spectrum 1 weight .10000E+01 volume .85853E-03 ppm1 3.878 ppm2 8.518 CV 1
ASSI { 339}
(( segid "B " and resid 117 and name HA ))
(( segid "B " and resid 117 and name HB3 ))
2.300 .700 .700 peak 339 spectrum 1 weight .10000E+01 volume .94650E-02 ppm1 4.272 ppm2 1.940 CV 1
ASSI { 164}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 150 and name HG13))
1.700 .300 .500 peak 164 spectrum 1 weight .10000E+01 volume .10119E-01 ppm1 1.418 ppm2 1.063 CV 1
ASSI { 336}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 160 and name HG2 ))
4.500 2.600 1.500 peak 336 spectrum 1 weight .10000E+01 volume .85332E-03 ppm1 4.081 ppm2 1.991 CV 1
OR { 336}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 160 and name HG3 ))
ASSI { 84}
(( segid "B " and resid 158 and name HB3 ))
(( segid "B " and resid 158 and name HA ))
1.900 .500 .500 peak 84 spectrum 1 weight .10000E+01 volume .16003E-01 ppm1 2.232 ppm2 4.434 CV 1
ASSI { 195}
(( segid "B " and resid 147 and name HB2 ))
(( segid "B " and resid 147 and name HA ))
2.700 .900 .900 peak 195 spectrum 1 weight .10000E+01 volume .52457E-02 ppm1 2.226 ppm2 4.272 CV 1
ASSI { 363}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 123 and name H ))
2.700 .900 .900 peak 363 spectrum 1 weight .10000E+01 volume .22667E-02 ppm1 3.259 ppm2 7.851 CV 1
ASSI { 30}
(( segid "B " and resid 153 and name HD1 ))
( segid "B " and resid 150 and name HG2%)
4.300 2.300 1.700 peak 30 spectrum 1 weight .10000E+01 volume .52351E-03 ppm1 7.020 ppm2 .789 CV 1
OR { 30}
(( segid "B " and resid 153 and name HD1 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 468}
(( segid "B " and resid 120 and name HA ))
(( segid "B " and resid 123 and name HB2 ))
4.200 2.200 1.800 peak 468 spectrum 1 weight .10000E+01 volume .11098E-02 ppm1 4.289 ppm2 3.273 CV 1
OR { 468}
(( segid "B " and resid 120 and name HA ))
(( segid "B " and resid 123 and name HB3 ))
ASSI { 451}
(( segid "B " and resid 119 and name HA ))
( segid "B " and resid 119 and name HD% )
2.600 .800 .800 peak 451 spectrum 1 weight .10000E+01 volume .31515E-02 ppm1 4.574 ppm2 7.207 CV 1
ASSI { 179}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 124 and name HA ))
2.500 .800 .800 peak 179 spectrum 1 weight .10000E+01 volume .33923E-02 ppm1 1.710 ppm2 4.061 CV 1
ASSI { 488}
(( segid "B " and resid 147 and name HB3 ))
(( segid "B " and resid 149 and name H ))
4.300 2.300 1.700 peak 488 spectrum 1 weight .10000E+01 volume .66484E-03 ppm1 1.924 ppm2 7.956 CV 1
ASSI { 86}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 153 and name HZ2 ))
4.500 2.500 1.500 peak 86 spectrum 1 weight .10000E+01 volume .50256E-03 ppm1 7.017 ppm2 7.372 CV 1
OR { 86}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 153 and name HE3 ))
ASSI { 564}
( segid "B " and resid 154 and name HD% )
(( segid "B " and resid 154 and name HB3 ))
2.700 .900 .900 peak 564 spectrum 1 weight .10000E+01 volume .24604E-02 ppm1 7.173 ppm2 2.865 CV 1
ASSI { 114}
(( segid "B " and resid 116 and name HB2 ))
(( segid "B " and resid 116 and name HA ))
2.400 .700 .700 peak 114 spectrum 1 weight .10000E+01 volume .76743E-02 ppm1 1.990 ppm2 4.342 CV 1
ASSI { 37}
(( segid "B " and resid 145 and name HB2 ))
(( segid "B " and resid 154 and name HB3 ))
2.500 2.500 3.500 peak 37 spectrum 1 weight .10000E+01 volume .96638E-02 ppm1 1.594 ppm2 2.923 CV 1
ASSI { 569}
(( segid "B " and resid 149 and name HB3 ))
(( segid "B " and resid 149 and name H ))
3.400 1.400 1.400 peak 569 spectrum 1 weight .10000E+01 volume .18165E-02 ppm1 2.700 ppm2 7.970 CV 1
ASSI { 581}
( segid "B " and resid 132 and name HD1%)
(( segid "B " and resid 133 and name H ))
4.500 2.500 1.500 peak 581 spectrum 1 weight .10000E+01 volume .68053E-03 ppm1 .930 ppm2 8.188 CV 1
ASSI { 270}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 153 and name HZ2 ))
3.900 1.900 1.900 peak 270 spectrum 1 weight .10000E+01 volume .52351E-03 ppm1 .820 ppm2 7.372 CV 1
OR { 270}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 153 and name HE3 ))
ASSI { 307}
(( segid "B " and resid 153 and name HB2 ))
( segid "B " and resid 154 and name HD% )
4.000 2.000 2.000 peak 307 spectrum 1 weight .10000E+01 volume .99466E-03 ppm1 3.030 ppm2 7.165 CV 1
OR { 307}
(( segid "B " and resid 153 and name HB3 ))
( segid "B " and resid 154 and name HD% )
ASSI { 130}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 147 and name HA ))
3.900 1.900 1.900 peak 130 spectrum 1 weight .10000E+01 volume .13402E-02 ppm1 1.814 ppm2 4.279 CV 1
ASSI { 94}
(( segid "B " and resid 147 and name HA ))
(( segid "B " and resid 147 and name HB3 ))
2.200 .600 .600 peak 94 spectrum 1 weight .10000E+01 volume .59680E-02 ppm1 4.282 ppm2 1.926 CV 1
ASSI { 57}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 154 and name HA ))
3.000 3.000 3.000 peak 57 spectrum 1 weight .10000E+01 volume .58108E-03 ppm1 1.168 ppm2 4.635 CV 1
ASSI { 157}
( segid "B " and resid 145 and name HD1%)
(( segid "B " and resid 145 and name HA ))
3.200 1.300 1.300 peak 157 spectrum 1 weight .10000E+01 volume .31253E-02 ppm1 .858 ppm2 4.449 CV 1
ASSI { 276}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 124 and name HE3 ))
4.200 2.200 1.800 peak 276 spectrum 1 weight .10000E+01 volume .52351E-03 ppm1 1.702 ppm2 2.905 CV 1
OR { 276}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 124 and name HE2 ))
ASSI { 372}
(( segid "B " and resid 127 and name HD3 ))
(( segid "B " and resid 126 and name H ))
4.300 2.300 1.700 peak 372 spectrum 1 weight .10000E+01 volume .62822E-03 ppm1 3.662 ppm2 7.864 CV 1
ASSI { 523}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 126 and name HG ))
4.000 2.000 2.000 peak 523 spectrum 1 weight .10000E+01 volume .53398E-03 ppm1 7.526 ppm2 1.705 CV 1
ASSI { 81}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 150 and name HB ))
2.800 1.000 1.000 peak 81 spectrum 1 weight .10000E+01 volume .23453E-02 ppm1 1.418 ppm2 1.817 CV 1
ASSI { 44}
(( segid "B " and resid 159 and name HA3 ))
(( segid "B " and resid 159 and name H ))
2.800 1.000 1.000 peak 44 spectrum 1 weight .10000E+01 volume .30468E-02 ppm1 4.010 ppm2 8.407 CV 1
ASSI { 371}
(( segid "B " and resid 153 and name HB3 ))
(( segid "B " and resid 153 and name HA ))
2.900 1.100 1.100 peak 371 spectrum 1 weight .10000E+01 volume .19945E-02 ppm1 3.027 ppm2 4.559 CV 1
OR { 371}
(( segid "B " and resid 153 and name HB2 ))
(( segid "B " and resid 153 and name HA ))
ASSI { 440}
(( segid "B " and resid 150 and name HB ))
( segid "B " and resid 150 and name HG2%)
2.200 .600 .600 peak 440 spectrum 1 weight .10000E+01 volume .94597E-02 ppm1 1.815 ppm2 .787 CV 1
OR { 440}
(( segid "B " and resid 150 and name HB ))
( segid "B " and resid 150 and name HD1%)
ASSI { 314}
(( segid "B " and resid 153 and name HB2 ))
(( segid "B " and resid 150 and name HA ))
4.100 2.200 1.900 peak 314 spectrum 1 weight .10000E+01 volume .46589E-03 ppm1 3.037 ppm2 3.803 CV 1
OR { 314}
(( segid "B " and resid 153 and name HB3 ))
(( segid "B " and resid 150 and name HA ))
ASSI { 578}
(( segid "B " and resid 131 and name HA ))
(( segid "B " and resid 132 and name HB2 ))
4.100 2.100 1.900 peak 578 spectrum 1 weight .10000E+01 volume .10051E-02 ppm1 4.095 ppm2 1.613 CV 1
OR { 578}
(( segid "B " and resid 131 and name HA ))
(( segid "B " and resid 132 and name HG ))
OR { 578}
(( segid "B " and resid 131 and name HA ))
(( segid "B " and resid 132 and name HB3 ))
ASSI { 183}
(( segid "B " and resid 120 and name HA ))
(( segid "B " and resid 120 and name HB2 ))
2.500 .800 .800 peak 183 spectrum 1 weight .10000E+01 volume .50309E-02 ppm1 4.290 ppm2 3.746 CV 1
ASSI { 218}
(( segid "B " and resid 151 and name HG3 ))
(( segid "B " and resid 152 and name H ))
3.800 1.800 1.800 peak 218 spectrum 1 weight .10000E+01 volume .72241E-03 ppm1 2.183 ppm2 7.962 CV 1
OR { 218}
(( segid "B " and resid 151 and name HG2 ))
(( segid "B " and resid 152 and name H ))
ASSI { 97}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 121 and name HA ))
3.400 1.500 1.500 peak 97 spectrum 1 weight .10000E+01 volume .48162E-03 ppm1 1.617 ppm2 4.533 CV 1
ASSI { 63}
(( segid "B " and resid 127 and name HA ))
( segid "B " and resid 126 and name HD1%)
3.700 1.700 1.700 peak 63 spectrum 1 weight .10000E+01 volume .91089E-03 ppm1 4.362 ppm2 .885 CV 1
OR { 63}
(( segid "B " and resid 127 and name HA ))
( segid "B " and resid 126 and name HD2%)
ASSI { 409}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 123 and name HB3 ))
2.800 1.000 1.000 peak 409 spectrum 1 weight .10000E+01 volume .26280E-02 ppm1 7.528 ppm2 3.276 CV 1
OR { 409}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 123 and name HB2 ))
ASSI { 249}
(( segid "B " and resid 150 and name HG13))
( segid "B " and resid 150 and name HD1%)
2.300 .700 .700 peak 249 spectrum 1 weight .10000E+01 volume .76483E-02 ppm1 1.062 ppm2 .787 CV 1
OR { 249}
(( segid "B " and resid 150 and name HG13))
( segid "B " and resid 150 and name HG2%)
ASSI { 169}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 124 and name H ))
3.500 1.600 1.600 peak 169 spectrum 1 weight .10000E+01 volume .15967E-02 ppm1 1.708 ppm2 7.560 CV 1
ASSI { 93}
(( segid "B " and resid 124 and name HD2 ))
(( segid "B " and resid 124 and name HG2 ))
2.300 .600 .600 peak 93 spectrum 1 weight .10000E+01 volume .71459E-02 ppm1 1.594 ppm2 1.110 CV 1
OR { 93}
(( segid "B " and resid 124 and name HD3 ))
(( segid "B " and resid 124 and name HG3 ))
OR { 93}
(( segid "B " and resid 124 and name HD3 ))
(( segid "B " and resid 124 and name HG2 ))
OR { 93}
(( segid "B " and resid 124 and name HD2 ))
(( segid "B " and resid 124 and name HG3 ))
ASSI { 78}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 150 and name HB ))
2.700 .900 .900 peak 78 spectrum 1 weight .10000E+01 volume .24029E-02 ppm1 3.811 ppm2 1.822 CV 1
ASSI { 513}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 151 and name H ))
3.200 1.300 1.300 peak 513 spectrum 1 weight .10000E+01 volume .16176E-02 ppm1 1.815 ppm2 8.160 CV 1
ASSI { 442}
(( segid "B " and resid 126 and name HG ))
(( segid "B " and resid 126 and name H ))
2.400 .700 .700 peak 442 spectrum 1 weight .10000E+01 volume .35755E-02 ppm1 1.704 ppm2 7.885 CV 1
ASSI { 232}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 150 and name HG12))
2.200 .600 .600 peak 232 spectrum 1 weight .10000E+01 volume .72506E-02 ppm1 .768 ppm2 1.425 CV 1
ASSI { 191}
(( segid "B " and resid 153 and name HA ))
(( segid "B " and resid 153 and name HD1 ))
3.500 1.500 1.500 peak 191 spectrum 1 weight .10000E+01 volume .16857E-02 ppm1 4.558 ppm2 7.024 CV 1
ASSI { 535}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 154 and name HB2 ))
3.000 3.000 3.000 peak 535 spectrum 1 weight .10000E+01 volume .57060E-03 ppm1 1.166 ppm2 3.082 CV 1
ASSI { 547}
( segid "B " and resid 126 and name HD1%)
(( segid "B " and resid 124 and name HA ))
2.900 1.000 1.000 peak 547 spectrum 1 weight .10000E+01 volume .20888E-02 ppm1 .911 ppm2 4.072 CV 1
ASSI { 180}
( segid "B " and resid 145 and name HD1%)
(( segid "A " and resid 20 and name HA ))
3.200 1.300 1.300 peak 180 spectrum 1 weight .10000E+01 volume .79571E-03 ppm1 .854 ppm2 3.810 CV 1
ASSI { 353}
(( segid "B " and resid 153 and name HA ))
(( segid "B " and resid 153 and name HE3 ))
4.200 2.200 1.800 peak 353 spectrum 1 weight .10000E+01 volume .12721E-02 ppm1 4.559 ppm2 7.416 CV 1
ASSI { 290}
( segid "B " and resid 126 and name HD2%)
(( segid "B " and resid 126 and name H ))
4.500 2.600 1.500 peak 290 spectrum 1 weight .10000E+01 volume .95799E-03 ppm1 .897 ppm2 7.900 CV 1
ASSI { 15}
(( segid "B " and resid 124 and name HE2 ))
(( segid "B " and resid 121 and name HA ))
3.800 1.800 1.800 peak 15 spectrum 1 weight .10000E+01 volume .85853E-03 ppm1 2.919 ppm2 4.571 CV 1
OR { 15}
(( segid "B " and resid 124 and name HE3 ))
(( segid "B " and resid 121 and name HA ))
ASSI { 532}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 123 and name H ))
2.800 1.000 1.000 peak 532 spectrum 1 weight .10000E+01 volume .16542E-02 ppm1 7.263 ppm2 7.856 CV 1
ASSI { 207}
(( segid "B " and resid 130 and name HB3 ))
(( segid "B " and resid 132 and name HG ))
3.200 1.300 1.300 peak 207 spectrum 1 weight .10000E+01 volume .99466E-03 ppm1 2.711 ppm2 1.593 CV 1
OR { 207}
(( segid "B " and resid 130 and name HB3 ))
(( segid "B " and resid 132 and name HB3 ))
ASSI { 129}
(( segid "B " and resid 114 and name HA ))
( segid "B " and resid 114 and name HD2%)
2.600 .900 .900 peak 129 spectrum 1 weight .10000E+01 volume .60149E-02 ppm1 4.323 ppm2 .886 CV 1
OR { 129}
(( segid "B " and resid 114 and name HA ))
( segid "B " and resid 114 and name HD1%)
ASSI { 366}
(( segid "B " and resid 124 and name HE3 ))
(( segid "B " and resid 123 and name HH2 ))
3.200 3.200 2.800 peak 366 spectrum 1 weight .10000E+01 volume .40309E-03 ppm1 2.918 ppm2 7.168 CV 1
OR { 366}
(( segid "B " and resid 124 and name HE2 ))
(( segid "B " and resid 123 and name HH2 ))
ASSI { 107}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 150 and name HA ))
2.500 .800 .800 peak 107 spectrum 1 weight .10000E+01 volume .44131E-02 ppm1 .793 ppm2 3.817 CV 1
ASSI { 159}
(( segid "B " and resid 123 and name HZ3 ))
(( segid "B " and resid 123 and name HZ2 ))
4.000 2.000 2.000 peak 159 spectrum 1 weight .10000E+01 volume .15286E-02 ppm1 7.096 ppm2 7.456 CV 1
ASSI { 291}
(( segid "B " and resid 157 and name HB3 ))
(( segid "B " and resid 158 and name HD2 ))
3.100 1.200 1.200 peak 291 spectrum 1 weight .10000E+01 volume .15757E-02 ppm1 2.503 ppm2 3.746 CV 1
ASSI { 533}
(( segid "B " and resid 124 and name HG3 ))
(( segid "B " and resid 123 and name H ))
3.600 1.600 1.600 peak 533 spectrum 1 weight .10000E+01 volume .71194E-03 ppm1 1.121 ppm2 7.838 CV 1
OR { 533}
(( segid "B " and resid 124 and name HG2 ))
(( segid "B " and resid 123 and name H ))
ASSI { 349}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 154 and name HB3 ))
3.500 1.500 1.500 peak 349 spectrum 1 weight .10000E+01 volume .52872E-03 ppm1 1.167 ppm2 2.845 CV 1
ASSI { 447}
(( segid "B " and resid 122 and name HG ))
( segid "B " and resid 122 and name HD1%)
2.200 .600 .600 peak 447 spectrum 1 weight .10000E+01 volume .68998E-02 ppm1 1.542 ppm2 .785 CV 1
OR { 447}
(( segid "B " and resid 122 and name HG ))
( segid "B " and resid 122 and name HD2%)
ASSI { 436}
(( segid "B " and resid 151 and name HA ))
(( segid "B " and resid 151 and name HB3 ))
2.600 .900 .900 peak 436 spectrum 1 weight .10000E+01 volume .56800E-02 ppm1 3.968 ppm2 1.888 CV 1
ASSI { 45}
(( segid "B " and resid 118 and name HA ))
( segid "B " and resid 118 and name HG2%)
2.400 .700 .700 peak 45 spectrum 1 weight .10000E+01 volume .71667E-02 ppm1 4.238 ppm2 1.105 CV 1
ASSI { 52}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 124 and name HA ))
3.500 1.600 1.600 peak 52 spectrum 1 weight .10000E+01 volume .71720E-03 ppm1 7.530 ppm2 4.067 CV 1
ASSI { 403}
(( segid "B " and resid 122 and name HB2 ))
(( segid "B " and resid 122 and name HB3 ))
1.500 .300 .700 peak 403 spectrum 1 weight .10000E+01 volume .23044E-01 ppm1 1.510 ppm2 1.370 CV 1
ASSI { 250}
( segid "B " and resid 122 and name HD2%)
(( segid "B " and resid 122 and name HA ))
2.200 .600 .600 peak 250 spectrum 1 weight .10000E+01 volume .98158E-02 ppm1 .771 ppm2 4.064 CV 1
ASSI { 257}
( segid "B " and resid 114 and name HD2%)
(( segid "B " and resid 114 and name HA ))
3.000 1.100 1.100 peak 257 spectrum 1 weight .10000E+01 volume .24657E-02 ppm1 .885 ppm2 4.319 CV 1
ASSI { 255}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 150 and name HA ))
3.300 1.400 1.400 peak 255 spectrum 1 weight .10000E+01 volume .27222E-02 ppm1 .769 ppm2 3.806 CV 1
ASSI { 85}
(( segid "B " and resid 143 and name HA ))
(( segid "B " and resid 143 and name HB2 ))
2.500 .800 .800 peak 85 spectrum 1 weight .10000E+01 volume .57219E-02 ppm1 4.219 ppm2 1.565 CV 1
OR { 85}
(( segid "B " and resid 143 and name HA ))
(( segid "B " and resid 143 and name HG ))
ASSI { 167}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 153 and name HD1 ))
3.800 1.800 1.800 peak 167 spectrum 1 weight .10000E+01 volume .69626E-03 ppm1 3.817 ppm2 7.026 CV 1
OR { 167}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 153 and name HH2 ))
ASSI { 490}
(( segid "B " and resid 131 and name HA ))
(( segid "B " and resid 131 and name HB ))
2.600 .900 .900 peak 490 spectrum 1 weight .10000E+01 volume .37849E-02 ppm1 4.093 ppm2 2.102 CV 1
ASSI { 38}
(( segid "B " and resid 139 and name HA ))
(( segid "B " and resid 138 and name HG2 ))
3.300 1.300 1.300 peak 38 spectrum 1 weight .10000E+01 volume .71720E-03 ppm1 4.295 ppm2 2.344 CV 1
OR { 38}
(( segid "B " and resid 139 and name HA ))
(( segid "B " and resid 138 and name HG3 ))
ASSI { 303}
(( segid "B " and resid 148 and name HA ))
(( segid "B " and resid 148 and name HB3 ))
2.600 .800 .800 peak 303 spectrum 1 weight .10000E+01 volume .59314E-02 ppm1 4.479 ppm2 2.654 CV 1
ASSI { 406}
( segid "B " and resid 125 and name HD2%)
(( segid "B " and resid 125 and name HA ))
2.100 .600 .600 peak 406 spectrum 1 weight .10000E+01 volume .10847E-01 ppm1 .839 ppm2 4.277 CV 1
ASSI { 486}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 151 and name H ))
3.400 1.400 1.400 peak 486 spectrum 1 weight .10000E+01 volume .18323E-02 ppm1 .791 ppm2 8.165 CV 1
ASSI { 340}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 123 and name HD1 ))
3.000 1.100 1.100 peak 340 spectrum 1 weight .10000E+01 volume .12931E-02 ppm1 3.259 ppm2 7.265 CV 1
ASSI { 545}
(( segid "B " and resid 122 and name HB2 ))
(( segid "B " and resid 122 and name HA ))
2.900 1.100 1.100 peak 545 spectrum 1 weight .10000E+01 volume .32666E-02 ppm1 1.510 ppm2 4.072 CV 1
ASSI { 3}
(( segid "B " and resid 146 and name HB3 ))
(( segid "B " and resid 146 and name HA ))
2.500 .800 .800 peak 3 spectrum 1 weight .10000E+01 volume .41147E-02 ppm1 3.986 ppm2 4.780 CV 1
ASSI { 203}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 160 and name HB3 ))
4.300 2.300 1.700 peak 203 spectrum 1 weight .10000E+01 volume .65437E-03 ppm1 4.080 ppm2 2.243 CV 1
ASSI { 503}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 150 and name HA ))
3.800 1.800 1.800 peak 503 spectrum 1 weight .10000E+01 volume .49209E-03 ppm1 7.407 ppm2 3.815 CV 1
ASSI { 491}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 145 and name HB2 ))
2.700 .900 .900 peak 491 spectrum 1 weight .10000E+01 volume .28164E-02 ppm1 .767 ppm2 1.623 CV 1
OR { 491}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 145 and name HB3 ))
ASSI { 429}
( segid "B " and resid 125 and name HD2%)
(( segid "B " and resid 125 and name H ))
3.600 1.600 1.600 peak 429 spectrum 1 weight .10000E+01 volume .14815E-02 ppm1 .837 ppm2 7.867 CV 1
ASSI { 60}
(( segid "B " and resid 154 and name HB3 ))
( segid "B " and resid 150 and name HD1%)
3.700 1.700 1.700 peak 60 spectrum 1 weight .10000E+01 volume .67006E-03 ppm1 2.861 ppm2 .784 CV 1
OR { 60}
(( segid "B " and resid 154 and name HB3 ))
( segid "B " and resid 150 and name HG2%)
ASSI { 489}
(( segid "B " and resid 127 and name HB3 ))
(( segid "B " and resid 128 and name H ))
4.800 2.900 1.200 peak 489 spectrum 1 weight .10000E+01 volume .76430E-03 ppm1 2.294 ppm2 8.715 CV 1
ASSI { 211}
(( segid "B " and resid 123 and name HZ2 ))
(( segid "B " and resid 123 and name HH2 ))
2.300 .700 .700 peak 211 spectrum 1 weight .10000E+01 volume .86954E-02 ppm1 7.444 ppm2 7.177 CV 1
ASSI { 298}
(( segid "B " and resid 125 and name HG ))
(( segid "B " and resid 125 and name H ))
2.600 .900 .900 peak 298 spectrum 1 weight .10000E+01 volume .25128E-02 ppm1 1.613 ppm2 7.836 CV 1
ASSI { 32}
(( segid "B " and resid 159 and name HA3 ))
(( segid "B " and resid 160 and name HD2 ))
2.300 .700 .700 peak 32 spectrum 1 weight .10000E+01 volume .76536E-02 ppm1 4.012 ppm2 3.599 CV 1
OR { 32}
(( segid "B " and resid 159 and name HA3 ))
(( segid "B " and resid 160 and name HD3 ))
ASSI { 5}
(( segid "B " and resid 148 and name HB2 ))
(( segid "B " and resid 148 and name HA ))
2.800 1.000 1.000 peak 5 spectrum 1 weight .10000E+01 volume .28374E-02 ppm1 2.504 ppm2 4.468 CV 1
ASSI { 234}
(( segid "B " and resid 153 and name HH2 ))
(( segid "B " and resid 153 and name HE1 ))
4.800 2.800 1.200 peak 234 spectrum 1 weight .10000E+01 volume .58633E-03 ppm1 7.064 ppm2 10.063 CV 1
ASSI { 320}
(( segid "B " and resid 152 and name HB2 ))
(( segid "B " and resid 152 and name HA ))
2.800 1.000 1.000 peak 320 spectrum 1 weight .10000E+01 volume .29892E-02 ppm1 1.858 ppm2 4.118 CV 1
ASSI { 135}
(( segid "B " and resid 121 and name HA ))
(( segid "B " and resid 123 and name HD1 ))
3.600 1.700 1.700 peak 135 spectrum 1 weight .10000E+01 volume .96325E-03 ppm1 4.542 ppm2 7.238 CV 1
ASSI { 401}
(( segid "B " and resid 145 and name HA ))
( segid "B " and resid 145 and name HD2%)
2.400 .700 .700 peak 401 spectrum 1 weight .10000E+01 volume .66325E-02 ppm1 4.440 ppm2 .820 CV 1
OR { 401}
(( segid "B " and resid 145 and name HA ))
( segid "B " and resid 145 and name HD1%)
ASSI { 480}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 145 and name HA ))
2.200 .600 .600 peak 480 spectrum 1 weight .10000E+01 volume .75961E-02 ppm1 .819 ppm2 4.433 CV 1
ASSI { 233}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 121 and name HA ))
4.100 2.100 1.900 peak 233 spectrum 1 weight .10000E+01 volume .69100E-03 ppm1 1.706 ppm2 4.526 CV 1
ASSI { 175}
(( segid "B " and resid 152 and name HG2 ))
(( segid "B " and resid 152 and name HA ))
2.600 .900 .900 peak 175 spectrum 1 weight .10000E+01 volume .54392E-02 ppm1 2.126 ppm2 4.131 CV 1
OR { 175}
(( segid "B " and resid 152 and name HG3 ))
(( segid "B " and resid 152 and name HA ))
ASSI { 221}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 153 and name HB2 ))
3.200 1.300 1.300 peak 221 spectrum 1 weight .10000E+01 volume .12302E-02 ppm1 7.411 ppm2 3.024 CV 1
OR { 221}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 153 and name HB3 ))
ASSI { 239}
(( segid "B " and resid 146 and name HB2 ))
(( segid "B " and resid 146 and name H ))
3.100 1.200 1.200 peak 239 spectrum 1 weight .10000E+01 volume .14501E-02 ppm1 3.891 ppm2 8.717 CV 1
ASSI { 584}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 150 and name HG13))
2.900 1.000 1.000 peak 584 spectrum 1 weight .10000E+01 volume .49262E-02 ppm1 .794 ppm2 1.039 CV 1
ASSI { 309}
(( segid "B " and resid 122 and name HB2 ))
(( segid "B " and resid 122 and name H ))
2.400 .700 .700 peak 309 spectrum 1 weight .10000E+01 volume .29368E-02 ppm1 1.513 ppm2 7.951 CV 1
ASSI { 248}
(( segid "B " and resid 147 and name HG3 ))
(( segid "B " and resid 148 and name H ))
3.600 1.600 1.600 peak 248 spectrum 1 weight .10000E+01 volume .11622E-02 ppm1 2.029 ppm2 8.110 CV 1
OR { 248}
(( segid "B " and resid 147 and name HG2 ))
(( segid "B " and resid 148 and name H ))
ASSI { 287}
(( segid "B " and resid 146 and name HB3 ))
(( segid "B " and resid 146 and name H ))
3.200 1.300 1.300 peak 287 spectrum 1 weight .10000E+01 volume .14396E-02 ppm1 3.985 ppm2 8.712 CV 1
ASSI { 274}
(( segid "B " and resid 123 and name HZ3 ))
( segid "B " and resid 126 and name HD1%)
3.700 1.700 1.700 peak 274 spectrum 1 weight .10000E+01 volume .58108E-03 ppm1 7.092 ppm2 .874 CV 1
OR { 274}
(( segid "B " and resid 123 and name HZ3 ))
( segid "B " and resid 126 and name HD2%)
ASSI { 214}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 154 and name HB2 ))
3.700 1.700 1.700 peak 214 spectrum 1 weight .10000E+01 volume .89516E-03 ppm1 .791 ppm2 3.029 CV 1
ASSI { 342}
(( segid "B " and resid 145 and name HA ))
(( segid "B " and resid 145 and name HB2 ))
2.600 .800 .800 peak 342 spectrum 1 weight .10000E+01 volume .49364E-02 ppm1 4.438 ppm2 1.580 CV 1
OR { 342}
(( segid "B " and resid 145 and name HA ))
(( segid "B " and resid 145 and name HG ))
ASSI { 434}
(( segid "B " and resid 144 and name HA ))
(( segid "B " and resid 145 and name H ))
2.600 .900 .900 peak 434 spectrum 1 weight .10000E+01 volume .64231E-02 ppm1 4.410 ppm2 8.011 CV 1
ASSI { 12}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 123 and name HE1 ))
2.500 .800 .800 peak 12 spectrum 1 weight .10000E+01 volume .43398E-02 ppm1 7.261 ppm2 10.177 CV 1
ASSI { 518}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 147 and name HA ))
3.500 1.500 1.500 peak 518 spectrum 1 weight .10000E+01 volume .57586E-03 ppm1 1.416 ppm2 4.270 CV 1
ASSI { 499}
( segid "B " and resid 145 and name HD1%)
( segid "B " and resid 154 and name HD% )
2.900 1.000 1.000 peak 499 spectrum 1 weight .10000E+01 volume .18689E-02 ppm1 .853 ppm2 7.124 CV 1
ASSI { 484}
( segid "B " and resid 144 and name HE% )
( segid "A " and resid 18 and name HE% )
3.100 1.200 1.200 peak 484 spectrum 1 weight .10000E+01 volume .45542E-03 ppm1 2.036 ppm2 7.379 CV 1
ASSI { 112}
(( segid "B " and resid 151 and name HG2 ))
( segid "B " and resid 150 and name HD1%)
3.700 1.700 1.700 peak 112 spectrum 1 weight .10000E+01 volume .12250E-02 ppm1 2.198 ppm2 .827 CV 1
OR { 112}
(( segid "B " and resid 151 and name HG3 ))
( segid "B " and resid 150 and name HD1%)
OR { 112}
(( segid "B " and resid 151 and name HG2 ))
( segid "B " and resid 150 and name HG2%)
OR { 112}
(( segid "B " and resid 151 and name HG3 ))
( segid "B " and resid 150 and name HG2%)
ASSI { 452}
(( segid "B " and resid 122 and name HG ))
(( segid "B " and resid 122 and name H ))
2.400 .700 .700 peak 452 spectrum 1 weight .10000E+01 volume .28426E-02 ppm1 1.531 ppm2 7.922 CV 1
ASSI { 312}
(( segid "B " and resid 119 and name HA ))
(( segid "B " and resid 119 and name H ))
3.200 1.300 1.300 peak 312 spectrum 1 weight .10000E+01 volume .92136E-03 ppm1 4.571 ppm2 8.275 CV 1
ASSI { 35}
(( segid "B " and resid 152 and name HG2 ))
(( segid "B " and resid 152 and name H ))
3.000 1.100 1.100 peak 35 spectrum 1 weight .10000E+01 volume .33713E-02 ppm1 2.127 ppm2 7.943 CV 1
OR { 35}
(( segid "B " and resid 152 and name HG3 ))
(( segid "B " and resid 152 and name H ))
ASSI { 124}
( segid "B " and resid 132 and name HD2%)
(( segid "B " and resid 132 and name HA ))
2.300 .700 .700 peak 124 spectrum 1 weight .10000E+01 volume .75542E-02 ppm1 .850 ppm2 4.387 CV 1
ASSI { 212}
(( segid "B " and resid 122 and name HA ))
(( segid "B " and resid 122 and name HB3 ))
2.300 .700 .700 peak 212 spectrum 1 weight .10000E+01 volume .48317E-02 ppm1 4.067 ppm2 1.378 CV 1
ASSI { 333}
( segid "B " and resid 126 and name HD1%)
(( segid "B " and resid 123 and name HE3 ))
3.100 1.200 1.200 peak 333 spectrum 1 weight .10000E+01 volume .14135E-02 ppm1 .911 ppm2 7.533 CV 1
ASSI { 19}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 146 and name H ))
3.900 1.900 1.900 peak 19 spectrum 1 weight .10000E+01 volume .90042E-03 ppm1 .817 ppm2 8.714 CV 1
ASSI { 521}
( segid "B " and resid 122 and name HD2%)
( segid "B " and resid 119 and name HD% )
2.800 2.800 3.200 peak 521 spectrum 1 weight .10000E+01 volume .94230E-03 ppm1 .769 ppm2 7.183 CV 1
ASSI { 90}
(( segid "B " and resid 150 and name HG13))
( segid "B " and resid 154 and name HD% )
4.100 2.100 1.900 peak 90 spectrum 1 weight .10000E+01 volume .54445E-03 ppm1 1.061 ppm2 7.147 CV 1
ASSI { 14}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 155 and name HA ))
2.600 .800 .800 peak 14 spectrum 1 weight .10000E+01 volume .63449E-02 ppm1 1.167 ppm2 4.289 CV 1
ASSI { 64}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 150 and name H ))
2.900 1.000 1.000 peak 64 spectrum 1 weight .10000E+01 volume .34237E-02 ppm1 1.814 ppm2 7.757 CV 1
ASSI { 29}
( segid "B " and resid 119 and name HD% )
(( segid "B " and resid 122 and name HG ))
4.400 2.400 1.600 peak 29 spectrum 1 weight .10000E+01 volume .59680E-03 ppm1 7.206 ppm2 1.582 CV 1
ASSI { 269}
(( segid "B " and resid 123 and name HZ2 ))
(( segid "B " and resid 124 and name HE3 ))
3.800 1.800 1.800 peak 269 spectrum 1 weight .10000E+01 volume .56539E-03 ppm1 7.444 ppm2 2.921 CV 1
OR { 269}
(( segid "B " and resid 123 and name HZ2 ))
(( segid "B " and resid 124 and name HE2 ))
ASSI { 80}
( segid "B " and resid 143 and name HD2%)
(( segid "B " and resid 143 and name H ))
3.600 1.600 1.600 peak 80 spectrum 1 weight .10000E+01 volume .15809E-02 ppm1 .767 ppm2 8.035 CV 1
ASSI { 370}
(( segid "B " and resid 153 and name HZ2 ))
( segid "B " and resid 150 and name HG2%)
3.400 1.500 1.500 peak 370 spectrum 1 weight .10000E+01 volume .93183E-03 ppm1 7.353 ppm2 .818 CV 1
OR { 370}
(( segid "B " and resid 153 and name HZ2 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 487}
(( segid "B " and resid 124 and name HE2 ))
(( segid "B " and resid 124 and name HD3 ))
2.200 .600 .600 peak 487 spectrum 1 weight .10000E+01 volume .11187E-01 ppm1 2.920 ppm2 1.597 CV 1
OR { 487}
(( segid "B " and resid 124 and name HE3 ))
(( segid "B " and resid 124 and name HD2 ))
OR { 487}
(( segid "B " and resid 124 and name HE3 ))
(( segid "B " and resid 124 and name HD3 ))
OR { 487}
(( segid "B " and resid 124 and name HE2 ))
(( segid "B " and resid 124 and name HD2 ))
ASSI { 41}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 151 and name HA ))
3.500 1.500 1.500 peak 41 spectrum 1 weight .10000E+01 volume .11674E-02 ppm1 .789 ppm2 3.973 CV 1
ASSI { 444}
( segid "B " and resid 122 and name HD2%)
(( segid "B " and resid 122 and name H ))
3.900 1.900 1.900 peak 444 spectrum 1 weight .10000E+01 volume .11098E-02 ppm1 .769 ppm2 7.927 CV 1
ASSI { 390}
(( segid "B " and resid 151 and name HB3 ))
(( segid "B " and resid 151 and name H ))
2.600 .900 .900 peak 390 spectrum 1 weight .10000E+01 volume .30572E-02 ppm1 1.902 ppm2 8.163 CV 1
ASSI { 381}
(( segid "B " and resid 154 and name HA ))
(( segid "B " and resid 154 and name HB2 ))
2.700 .900 .900 peak 381 spectrum 1 weight .10000E+01 volume .20574E-02 ppm1 4.654 ppm2 3.071 CV 1
ASSI { 4}
(( segid "B " and resid 128 and name HA ))
(( segid "B " and resid 128 and name HB2 ))
2.300 .700 .700 peak 4 spectrum 1 weight .10000E+01 volume .85646E-02 ppm1 4.202 ppm2 1.994 CV 1
OR { 4}
(( segid "B " and resid 128 and name HA ))
(( segid "B " and resid 128 and name HB3 ))
ASSI { 399}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 123 and name HA ))
3.800 1.800 1.800 peak 399 spectrum 1 weight .10000E+01 volume .16542E-02 ppm1 7.528 ppm2 4.498 CV 1
ASSI { 118}
( segid "B " and resid 114 and name HD1%)
( segid "B " and resid 119 and name HD% )
3.200 3.200 2.800 peak 118 spectrum 1 weight .10000E+01 volume .14239E-02 ppm1 .931 ppm2 7.254 CV 1
OR { 118}
( segid "B " and resid 114 and name HD1%)
( segid "B " and resid 119 and name HE% )
ASSI { 589}
(( segid "B " and resid 149 and name HB3 ))
(( segid "B " and resid 150 and name H ))
3.500 1.600 1.600 peak 589 spectrum 1 weight .10000E+01 volume .10784E-02 ppm1 2.710 ppm2 7.756 CV 1
ASSI { 472}
(( segid "B " and resid 152 and name HA ))
(( segid "B " and resid 152 and name HB2 ))
2.400 .700 .700 peak 472 spectrum 1 weight .10000E+01 volume .62923E-02 ppm1 4.123 ppm2 1.872 CV 1
OR { 472}
(( segid "B " and resid 152 and name HA ))
(( segid "B " and resid 152 and name HB3 ))
ASSI { 574}
(( segid "B " and resid 157 and name HB2 ))
(( segid "B " and resid 156 and name HA ))
4.100 2.100 1.900 peak 574 spectrum 1 weight .10000E+01 volume .10051E-02 ppm1 2.714 ppm2 4.258 CV 1
ASSI { 428}
(( segid "B " and resid 119 and name HA ))
( segid "B " and resid 122 and name HD1%)
3.000 1.100 1.100 peak 428 spectrum 1 weight .10000E+01 volume .12826E-02 ppm1 4.564 ppm2 .836 CV 1
ASSI { 546}
(( segid "B " and resid 154 and name HA ))
( segid "B " and resid 154 and name HD% )
2.900 1.000 1.000 peak 546 spectrum 1 weight .10000E+01 volume .23034E-02 ppm1 4.667 ppm2 7.175 CV 1
ASSI { 520}
(( segid "B " and resid 120 and name HA ))
(( segid "B " and resid 120 and name HB3 ))
2.500 .800 .800 peak 520 spectrum 1 weight .10000E+01 volume .47902E-02 ppm1 4.289 ppm2 3.864 CV 1
ASSI { 197}
(( segid "B " and resid 160 and name HD2 ))
(( segid "B " and resid 159 and name HA3 ))
2.300 .600 .600 peak 197 spectrum 1 weight .10000E+01 volume .79783E-02 ppm1 3.568 ppm2 4.050 CV 1
OR { 197}
(( segid "B " and resid 160 and name HD2 ))
(( segid "B " and resid 159 and name HA2 ))
ASSI { 327}
(( segid "B " and resid 144 and name HB2 ))
(( segid "A " and resid 41 and name HA ))
2.400 2.400 3.600 peak 327 spectrum 1 weight .10000E+01 volume .30572E-02 ppm1 1.993 ppm2 3.774 CV 1
OR { 327}
(( segid "B " and resid 144 and name HB2 ))
(( segid "A " and resid 41 and name HB2 ))
OR { 327}
(( segid "B " and resid 144 and name HB3 ))
(( segid "A " and resid 41 and name HA ))
OR { 327}
(( segid "B " and resid 144 and name HB3 ))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 426}
( segid "B " and resid 155 and name HG2%)
( segid "B " and resid 154 and name HD% )
3.600 1.700 1.700 peak 426 spectrum 1 weight .10000E+01 volume .61775E-03 ppm1 1.170 ppm2 7.143 CV 1
ASSI { 361}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 152 and name HB2 ))
3.400 1.500 1.500 peak 361 spectrum 1 weight .10000E+01 volume .79571E-03 ppm1 7.018 ppm2 1.866 CV 1
OR { 361}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 152 and name HB3 ))
ASSI { 395}
( segid "B " and resid 126 and name HD1%)
(( segid "B " and resid 123 and name HZ3 ))
3.300 1.400 1.400 peak 395 spectrum 1 weight .10000E+01 volume .10103E-02 ppm1 .919 ppm2 7.112 CV 1
ASSI { 558}
(( segid "B " and resid 155 and name HA ))
(( segid "B " and resid 156 and name HG2 ))
4.200 2.200 1.800 peak 558 spectrum 1 weight .10000E+01 volume .67531E-03 ppm1 4.293 ppm2 2.233 CV 1
OR { 558}
(( segid "B " and resid 155 and name HA ))
(( segid "B " and resid 156 and name HG3 ))
ASSI { 31}
(( segid "B " and resid 120 and name HA ))
(( segid "B " and resid 122 and name H ))
3.800 1.800 1.800 peak 31 spectrum 1 weight .10000E+01 volume .51304E-03 ppm1 4.290 ppm2 7.922 CV 1
ASSI { 590}
(( segid "B " and resid 160 and name HD2 ))
(( segid "B " and resid 160 and name HG3 ))
2.100 .600 .600 peak 590 spectrum 1 weight .10000E+01 volume .10376E-01 ppm1 3.573 ppm2 1.971 CV 1
OR { 590}
(( segid "B " and resid 160 and name HD2 ))
(( segid "B " and resid 160 and name HG2 ))
ASSI { 79}
(( segid "B " and resid 144 and name HG2 ))
(( segid "B " and resid 144 and name H ))
3.900 1.900 1.900 peak 79 spectrum 1 weight .10000E+01 volume .11203E-02 ppm1 2.566 ppm2 8.136 CV 1
ASSI { 280}
( segid "B " and resid 143 and name HD2%)
(( segid "B " and resid 143 and name HA ))
2.300 .600 .600 peak 280 spectrum 1 weight .10000E+01 volume .96325E-02 ppm1 .767 ppm2 4.216 CV 1
ASSI { 465}
(( segid "B " and resid 130 and name HB2 ))
(( segid "B " and resid 132 and name HG ))
3.600 1.700 1.700 peak 465 spectrum 1 weight .10000E+01 volume .13087E-02 ppm1 2.814 ppm2 1.587 CV 1
OR { 465}
(( segid "B " and resid 130 and name HB2 ))
(( segid "B " and resid 132 and name HB3 ))
ASSI { 213}
(( segid "B " and resid 121 and name HA ))
(( segid "B " and resid 124 and name HB2 ))
2.500 .800 .800 peak 213 spectrum 1 weight .10000E+01 volume .36697E-02 ppm1 4.537 ppm2 1.599 CV 1
OR { 213}
(( segid "B " and resid 121 and name HA ))
(( segid "B " and resid 124 and name HD3 ))
OR { 213}
(( segid "B " and resid 121 and name HA ))
(( segid "B " and resid 124 and name HD2 ))
ASSI { 478}
( segid "B " and resid 135 and name HD1%)
(( segid "B " and resid 135 and name HA ))
2.700 .900 .900 peak 478 spectrum 1 weight .10000E+01 volume .28217E-02 ppm1 .924 ppm2 4.576 CV 1
ASSI { 572}
(( segid "B " and resid 131 and name HA ))
( segid "B " and resid 131 and name HG1%)
2.300 .700 .700 peak 572 spectrum 1 weight .10000E+01 volume .93917E-02 ppm1 4.093 ppm2 .920 CV 1
OR { 572}
(( segid "B " and resid 131 and name HA ))
( segid "B " and resid 131 and name HG2%)
ASSI { 492}
(( segid "B " and resid 119 and name HA ))
(( segid "B " and resid 119 and name HB3 ))
2.300 .600 .600 peak 492 spectrum 1 weight .10000E+01 volume .74282E-02 ppm1 4.572 ppm2 3.025 CV 1
ASSI { 188}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 124 and name HG3 ))
3.700 1.700 1.700 peak 188 spectrum 1 weight .10000E+01 volume .91610E-03 ppm1 2.595 ppm2 1.123 CV 1
OR { 188}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 124 and name HG2 ))
ASSI { 226}
(( segid "B " and resid 122 and name HG ))
(( segid "B " and resid 122 and name HA ))
3.100 1.200 1.200 peak 226 spectrum 1 weight .10000E+01 volume .19631E-02 ppm1 1.531 ppm2 4.065 CV 1
ASSI { 251}
(( segid "B " and resid 140 and name HG3 ))
(( segid "B " and resid 140 and name HB2 ))
2.200 .600 .600 peak 251 spectrum 1 weight .10000E+01 volume .11611E-01 ppm1 2.672 ppm2 1.963 CV 1
ASSI { 43}
(( segid "B " and resid 132 and name HA ))
(( segid "B " and resid 132 and name HB3 ))
2.400 .700 .700 peak 43 spectrum 1 weight .10000E+01 volume .68733E-02 ppm1 4.392 ppm2 1.596 CV 1
OR { 43}
(( segid "B " and resid 132 and name HA ))
(( segid "B " and resid 132 and name HB2 ))
OR { 43}
(( segid "B " and resid 132 and name HA ))
(( segid "B " and resid 132 and name HG ))
ASSI { 123}
(( segid "B " and resid 122 and name HB3 ))
( segid "B " and resid 122 and name HD2%)
2.500 .800 .800 peak 123 spectrum 1 weight .10000E+01 volume .45441E-02 ppm1 1.378 ppm2 .813 CV 1
OR { 123}
(( segid "B " and resid 122 and name HB3 ))
( segid "B " and resid 122 and name HD1%)
ASSI { 376}
(( segid "B " and resid 153 and name HZ2 ))
(( segid "B " and resid 153 and name HH2 ))
2.500 .800 .800 peak 376 spectrum 1 weight .10000E+01 volume .51091E-02 ppm1 7.350 ppm2 7.059 CV 1
ASSI { 384}
(( segid "B " and resid 140 and name HG3 ))
(( segid "B " and resid 140 and name HB3 ))
2.300 .700 .700 peak 384 spectrum 1 weight .10000E+01 volume .11213E-01 ppm1 2.672 ppm2 2.078 CV 1
OR { 384}
(( segid "B " and resid 140 and name HG3 ))
( segid "B " and resid 140 and name HE% )
ASSI { 96}
(( segid "B " and resid 153 and name HZ2 ))
(( segid "B " and resid 150 and name HB ))
3.800 1.800 1.800 peak 96 spectrum 1 weight .10000E+01 volume .53398E-03 ppm1 7.338 ppm2 1.833 CV 1
ASSI { 163}
(( segid "B " and resid 123 and name HZ2 ))
( segid "B " and resid 126 and name HD1%)
4.000 2.000 2.000 peak 163 spectrum 1 weight .10000E+01 volume .47115E-03 ppm1 7.445 ppm2 .879 CV 1
OR { 163}
(( segid "B " and resid 123 and name HZ2 ))
( segid "B " and resid 126 and name HD2%)
ASSI { 408}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 123 and name HB2 ))
2.600 .900 .900 peak 408 spectrum 1 weight .10000E+01 volume .37744E-02 ppm1 7.263 ppm2 3.283 CV 1
OR { 408}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 123 and name HB3 ))
ASSI { 172}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 120 and name HA ))
4.400 2.400 1.600 peak 172 spectrum 1 weight .10000E+01 volume .70673E-03 ppm1 3.256 ppm2 4.299 CV 1
ASSI { 355}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 147 and name HA ))
3.800 1.800 1.800 peak 355 spectrum 1 weight .10000E+01 volume .42927E-03 ppm1 1.067 ppm2 4.255 CV 1
ASSI { 329}
(( segid "B " and resid 124 and name HG3 ))
(( segid "B " and resid 124 and name HB2 ))
2.100 .500 .500 peak 329 spectrum 1 weight .10000E+01 volume .11674E-01 ppm1 1.124 ppm2 1.629 CV 1
OR { 329}
(( segid "B " and resid 124 and name HG2 ))
(( segid "B " and resid 124 and name HD2 ))
OR { 329}
(( segid "B " and resid 124 and name HG3 ))
(( segid "B " and resid 124 and name HD3 ))
OR { 329}
(( segid "B " and resid 124 and name HG2 ))
(( segid "B " and resid 124 and name HD3 ))
OR { 329}
(( segid "B " and resid 124 and name HG2 ))
(( segid "B " and resid 124 and name HB2 ))
ASSI { 388}
(( segid "B " and resid 143 and name HB3 ))
(( segid "B " and resid 143 and name HA ))
2.400 .700 .700 peak 388 spectrum 1 weight .10000E+01 volume .57533E-02 ppm1 1.650 ppm2 4.252 CV 1
ASSI { 200}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 153 and name HZ2 ))
4.300 2.300 1.700 peak 200 spectrum 1 weight .10000E+01 volume .51825E-03 ppm1 .766 ppm2 7.392 CV 1
OR { 200}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 153 and name HE3 ))
ASSI { 82}
(( segid "B " and resid 140 and name HB2 ))
(( segid "B " and resid 140 and name H ))
3.200 1.300 1.300 peak 82 spectrum 1 weight .10000E+01 volume .12669E-02 ppm1 2.003 ppm2 8.371 CV 1
ASSI { 105}
( segid "B " and resid 154 and name HD% )
(( segid "B " and resid 154 and name HB2 ))
2.600 .800 .800 peak 105 spectrum 1 weight .10000E+01 volume .30206E-02 ppm1 7.172 ppm2 3.059 CV 1
ASSI { 140}
(( segid "B " and resid 128 and name HA ))
(( segid "B " and resid 128 and name HG3 ))
2.800 1.000 1.000 peak 140 spectrum 1 weight .10000E+01 volume .44968E-02 ppm1 4.198 ppm2 2.245 CV 1
OR { 140}
(( segid "B " and resid 128 and name HA ))
(( segid "B " and resid 128 and name HG2 ))
ASSI { 279}
(( segid "B " and resid 144 and name HG2 ))
( segid "A " and resid 12 and name HE% )
4.300 2.300 1.700 peak 279 spectrum 1 weight .10000E+01 volume .46068E-03 ppm1 2.585 ppm2 1.166 CV 1
ASSI { 243}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 151 and name HB2 ))
2.200 2.200 3.800 peak 243 spectrum 1 weight .10000E+01 volume .31101E-01 ppm1 3.807 ppm2 2.028 CV 1
ASSI { 147}
(( segid "B " and resid 133 and name HB2 ))
(( segid "B " and resid 133 and name H ))
3.600 1.600 1.600 peak 147 spectrum 1 weight .10000E+01 volume .66484E-03 ppm1 3.791 ppm2 8.199 CV 1
ASSI { 566}
(( segid "B " and resid 135 and name HA ))
(( segid "B " and resid 136 and name HD2 ))
1.800 .400 .400 peak 566 spectrum 1 weight .10000E+01 volume .24735E-01 ppm1 4.579 ppm2 3.836 CV 1
ASSI { 357}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 124 and name H ))
2.600 .900 .900 peak 357 spectrum 1 weight .10000E+01 volume .17433E-02 ppm1 1.621 ppm2 7.561 CV 1
ASSI { 516}
(( segid "B " and resid 152 and name HG3 ))
(( segid "B " and resid 152 and name HB3 ))
2.000 .500 .500 peak 516 spectrum 1 weight .10000E+01 volume .21233E-01 ppm1 2.128 ppm2 1.897 CV 1
OR { 516}
(( segid "B " and resid 152 and name HG2 ))
(( segid "B " and resid 152 and name HB2 ))
OR { 516}
(( segid "B " and resid 152 and name HG3 ))
(( segid "B " and resid 152 and name HB2 ))
OR { 516}
(( segid "B " and resid 152 and name HG2 ))
(( segid "B " and resid 152 and name HB3 ))
ASSI { 247}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 124 and name HG3 ))
4.100 2.100 1.900 peak 247 spectrum 1 weight .10000E+01 volume .46068E-03 ppm1 7.257 ppm2 1.125 CV 1
OR { 247}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 124 and name HG2 ))
ASSI { 555}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 150 and name HA ))
3.500 1.500 1.500 peak 555 spectrum 1 weight .10000E+01 volume .13140E-02 ppm1 1.416 ppm2 3.811 CV 1
ASSI { 272}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 122 and name H ))
3.100 1.200 1.200 peak 272 spectrum 1 weight .10000E+01 volume .20574E-02 ppm1 2.614 ppm2 7.952 CV 1
ASSI { 74}
(( segid "B " and resid 154 and name HA ))
(( segid "B " and resid 154 and name HB3 ))
3.300 1.300 1.300 peak 74 spectrum 1 weight .10000E+01 volume .16124E-02 ppm1 4.651 ppm2 2.870 CV 1
ASSI { 217}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 150 and name HG13))
2.100 .600 .600 peak 217 spectrum 1 weight .10000E+01 volume .93183E-02 ppm1 .768 ppm2 1.085 CV 1
ASSI { 258}
(( segid "B " and resid 136 and name HD2 ))
( segid "B " and resid 135 and name HD1%)
2.700 .900 .900 peak 258 spectrum 1 weight .10000E+01 volume .28164E-02 ppm1 3.827 ppm2 .905 CV 1
OR { 258}
(( segid "B " and resid 136 and name HD2 ))
( segid "B " and resid 135 and name HD2%)
ASSI { 8}
(( segid "B " and resid 128 and name HG3 ))
(( segid "B " and resid 128 and name H ))
3.600 1.600 1.600 peak 8 spectrum 1 weight .10000E+01 volume .94752E-03 ppm1 2.216 ppm2 8.711 CV 1
OR { 8}
(( segid "B " and resid 128 and name HG2 ))
(( segid "B " and resid 128 and name H ))
ASSI { 373}
(( segid "B " and resid 159 and name HA3 ))
(( segid "B " and resid 160 and name HG3 ))
4.300 2.300 1.700 peak 373 spectrum 1 weight .10000E+01 volume .10575E-02 ppm1 4.009 ppm2 1.983 CV 1
OR { 373}
(( segid "B " and resid 159 and name HA3 ))
(( segid "B " and resid 160 and name HG2 ))
ASSI { 137}
(( segid "B " and resid 151 and name HA ))
(( segid "B " and resid 151 and name HG2 ))
2.800 1.000 1.000 peak 137 spectrum 1 weight .10000E+01 volume .36226E-02 ppm1 3.969 ppm2 2.172 CV 1
OR { 137}
(( segid "B " and resid 151 and name HA ))
(( segid "B " and resid 151 and name HG3 ))
ASSI { 288}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 124 and name HA ))
2.800 1.000 1.000 peak 288 spectrum 1 weight .10000E+01 volume .30730E-02 ppm1 1.622 ppm2 4.059 CV 1
ASSI { 494}
(( segid "B " and resid 151 and name HA ))
( segid "B " and resid 150 and name HD1%)
3.700 1.700 1.700 peak 494 spectrum 1 weight .10000E+01 volume .92657E-03 ppm1 3.970 ppm2 .796 CV 1
OR { 494}
(( segid "B " and resid 151 and name HA ))
( segid "B " and resid 150 and name HG2%)
ASSI { 351}
(( segid "B " and resid 152 and name HB3 ))
(( segid "B " and resid 152 and name HA ))
2.700 .900 .900 peak 351 spectrum 1 weight .10000E+01 volume .31043E-02 ppm1 1.893 ppm2 4.116 CV 1
ASSI { 560}
(( segid "B " and resid 125 and name HA ))
(( segid "B " and resid 125 and name HB3 ))
2.300 .600 .600 peak 560 spectrum 1 weight .10000E+01 volume .92609E-02 ppm1 4.280 ppm2 1.610 CV 1
OR { 560}
(( segid "B " and resid 125 and name HA ))
(( segid "B " and resid 125 and name HB2 ))
OR { 560}
(( segid "B " and resid 125 and name HA ))
(( segid "B " and resid 125 and name HG ))
ASSI { 101}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 153 and name HB3 ))
3.200 1.300 1.300 peak 101 spectrum 1 weight .10000E+01 volume .13768E-02 ppm1 7.017 ppm2 3.032 CV 1
OR { 101}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 153 and name HB2 ))
ASSI { 138}
(( segid "B " and resid 138 and name HG2 ))
(( segid "B " and resid 138 and name HE22))
4.400 2.400 1.600 peak 138 spectrum 1 weight .10000E+01 volume .64390E-03 ppm1 2.359 ppm2 6.872 CV 1
OR { 138}
(( segid "B " and resid 138 and name HG3 ))
(( segid "B " and resid 138 and name HE22))
ASSI { 437}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 147 and name HA ))
4.100 2.100 1.900 peak 437 spectrum 1 weight .10000E+01 volume .88995E-03 ppm1 .792 ppm2 4.274 CV 1
ASSI { 238}
(( segid "B " and resid 122 and name HB3 ))
(( segid "B " and resid 122 and name HB2 ))
1.500 .300 .700 peak 238 spectrum 1 weight .10000E+01 volume .31441E-01 ppm1 1.379 ppm2 1.515 CV 1
OR { 238}
(( segid "B " and resid 122 and name HB3 ))
(( segid "B " and resid 122 and name HG ))
ASSI { 577}
( segid "B " and resid 119 and name HD% )
( segid "B " and resid 122 and name HD1%)
3.000 1.200 1.200 peak 577 spectrum 1 weight .10000E+01 volume .17904E-02 ppm1 7.178 ppm2 .800 CV 1
ASSI { 83}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 124 and name HG3 ))
2.500 .800 .800 peak 83 spectrum 1 weight .10000E+01 volume .38791E-02 ppm1 1.621 ppm2 1.116 CV 1
OR { 83}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 124 and name HG2 ))
ASSI { 194}
( segid "B " and resid 145 and name HD1%)
(( segid "A " and resid 23 and name HD2 ))
2.700 .900 .900 peak 194 spectrum 1 weight .10000E+01 volume .25232E-02 ppm1 .858 ppm2 2.650 CV 1
ASSI { 95}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 150 and name HA ))
3.300 1.300 1.300 peak 95 spectrum 1 weight .10000E+01 volume .15705E-02 ppm1 1.062 ppm2 3.814 CV 1
ASSI { 266}
(( segid "B " and resid 114 and name HA ))
(( segid "B " and resid 114 and name HB3 ))
2.300 .700 .700 peak 266 spectrum 1 weight .10000E+01 volume .75855E-02 ppm1 4.320 ppm2 1.634 CV 1
OR { 266}
(( segid "B " and resid 114 and name HA ))
(( segid "B " and resid 114 and name HB2 ))
ASSI { 470}
(( segid "B " and resid 151 and name HA ))
( segid "B " and resid 154 and name HD% )
3.700 3.700 2.300 peak 470 spectrum 1 weight .10000E+01 volume .81144E-03 ppm1 3.971 ppm2 7.155 CV 1
ASSI { 108}
(( segid "B " and resid 140 and name HG2 ))
( segid "B " and resid 139 and name HB% )
4.400 2.500 1.600 peak 108 spectrum 1 weight .10000E+01 volume .47115E-03 ppm1 2.585 ppm2 1.392 CV 1
ASSI { 184}
(( segid "B " and resid 124 and name HD2 ))
(( segid "B " and resid 121 and name HB2 ))
3.400 1.500 1.500 peak 184 spectrum 1 weight .10000E+01 volume .12407E-02 ppm1 1.593 ppm2 2.595 CV 1
ASSI { 48}
(( segid "B " and resid 122 and name HB2 ))
( segid "B " and resid 119 and name HD% )
4.500 2.500 1.500 peak 48 spectrum 1 weight .10000E+01 volume .51304E-03 ppm1 1.508 ppm2 7.199 CV 1
ASSI { 21}
(( segid "B " and resid 127 and name HD2 ))
(( segid "B " and resid 126 and name H ))
4.400 2.400 1.600 peak 21 spectrum 1 weight .10000E+01 volume .62822E-03 ppm1 3.812 ppm2 7.879 CV 1
ASSI { 570}
(( segid "B " and resid 121 and name HA ))
(( segid "B " and resid 124 and name HG3 ))
3.100 1.200 1.200 peak 570 spectrum 1 weight .10000E+01 volume .14187E-02 ppm1 4.541 ppm2 1.133 CV 1
OR { 570}
(( segid "B " and resid 121 and name HA ))
(( segid "B " and resid 124 and name HG2 ))
ASSI { 275}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 145 and name H ))
3.500 1.600 1.600 peak 275 spectrum 1 weight .10000E+01 volume .16019E-02 ppm1 .819 ppm2 7.991 CV 1
ASSI { 144}
(( segid "B " and resid 150 and name HA ))
( segid "B " and resid 154 and name HD% )
4.200 2.200 1.800 peak 144 spectrum 1 weight .10000E+01 volume .82191E-03 ppm1 3.814 ppm2 7.166 CV 1
ASSI { 40}
(( segid "B " and resid 148 and name HA ))
(( segid "B " and resid 149 and name H ))
2.700 .900 .900 peak 40 spectrum 1 weight .10000E+01 volume .44447E-02 ppm1 4.478 ppm2 7.941 CV 1
ASSI { 77}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 150 and name H ))
2.700 .900 .900 peak 77 spectrum 1 weight .10000E+01 volume .19474E-02 ppm1 1.418 ppm2 7.754 CV 1
ASSI { 26}
(( segid "B " and resid 131 and name HA ))
(( segid "B " and resid 132 and name H ))
2.400 .700 .700 peak 26 spectrum 1 weight .10000E+01 volume .58421E-02 ppm1 4.092 ppm2 8.274 CV 1
ASSI { 417}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 73 and name HA ))
3.200 1.300 1.300 peak 417 spectrum 1 weight .10000E+01 volume .15220E-02 ppm1 8.435 ppm2 4.009 CV 1
OR { 417}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 70 and name HA ))
OR { 417}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 70 and name HA ))
ASSI { 506}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 50 and name H ))
3.900 1.900 1.900 peak 506 spectrum 1 weight .10000E+01 volume .63931E-03 ppm1 8.719 ppm2 7.402 CV 1
OR { 506}
(( segid "A " and resid 48 and name H ))
( segid "A " and resid 18 and name HE% )
ASSI { 345}
(( segid "A " and resid 2 and name H ))
(( segid "A " and resid 2 and name HA ))
2.600 .800 .800 peak 345 spectrum 1 weight .10000E+01 volume .44062E-02 ppm1 8.345 ppm2 4.274 CV 1
OR { 345}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HA ))
ASSI { 430}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 24 and name HB3 ))
2.700 .900 .900 peak 430 spectrum 1 weight .10000E+01 volume .30023E-02 ppm1 8.257 ppm2 2.299 CV 1
OR { 430}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 24 and name HG2 ))
OR { 430}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 25 and name HG2 ))
ASSI { 522}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HA ))
2.500 .800 .800 peak 522 spectrum 1 weight .10000E+01 volume .55275E-02 ppm1 7.776 ppm2 4.058 CV 1
OR { 522}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 40 and name HA ))
OR { 522}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 42 and name HA ))
ASSI { 123}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 25 and name HB3 ))
2.500 .800 .800 peak 123 spectrum 1 weight .10000E+01 volume .50429E-02 ppm1 8.255 ppm2 2.153 CV 1
OR { 123}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 24 and name HB2 ))
ASSI { 456}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 14 and name HB2 ))
3.000 1.100 1.100 peak 456 spectrum 1 weight .10000E+01 volume .24761E-02 ppm1 9.292 ppm2 4.085 CV 1
OR { 456}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 541}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 14 and name HB3 ))
3.300 1.400 1.400 peak 541 spectrum 1 weight .10000E+01 volume .12368E-02 ppm1 7.917 ppm2 4.099 CV 1
OR { 541}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 14 and name HB2 ))
OR { 541}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 555}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HG2 ))
3.400 1.400 1.400 peak 555 spectrum 1 weight .10000E+01 volume .28596E-02 ppm1 8.203 ppm2 1.507 CV 1
OR { 555}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HG3 ))
OR { 555}
(( segid "A " and resid 67 and name H ))
( segid "A " and resid 68 and name HB% )
ASSI { 186}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HB3 ))
2.500 .800 .800 peak 186 spectrum 1 weight .10000E+01 volume .50848E-02 ppm1 8.399 ppm2 2.285 CV 1
OR { 186}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 80 and name HB2 ))
ASSI { 13}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 43 and name H ))
3.700 1.700 1.700 peak 13 spectrum 1 weight .10000E+01 volume .83848E-03 ppm1 8.551 ppm2 7.771 CV 1
OR { 13}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 39 and name H ))
ASSI { 302}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 25 and name HB3 ))
3.000 3.000 3.000 peak 302 spectrum 1 weight .10000E+01 volume .61717E-03 ppm1 7.495 ppm2 2.141 CV 1
OR { 302}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 24 and name HB2 ))
ASSI { 370}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HA ))
3.300 1.400 1.400 peak 370 spectrum 1 weight .10000E+01 volume .10524E-02 ppm1 8.355 ppm2 4.924 CV 1
OR { 370}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 4 and name HA ))
ASSI { 109}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HB3 ))
3.500 1.500 1.500 peak 109 spectrum 1 weight .10000E+01 volume .89746E-03 ppm1 8.884 ppm2 4.100 CV 1
OR { 109}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 22 and name HA ))
OR { 109}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 54 and name HA ))
ASSI { 562}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 64 and name HA ))
3.600 1.600 1.600 peak 562 spectrum 1 weight .10000E+01 volume .11557E-02 ppm1 7.987 ppm2 4.119 CV 1
OR { 562}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 14 and name HB2 ))
OR { 562}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 14 and name HB3 ))
ASSI { 22}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HB2 ))
2.400 .700 .700 peak 22 spectrum 1 weight .10000E+01 volume .51021E-02 ppm1 7.935 ppm2 2.140 CV 1
OR { 22}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HB2 ))
OR { 22}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 9}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HA ))
2.800 1.000 1.000 peak 9 spectrum 1 weight .10000E+01 volume .22744E-02 ppm1 8.106 ppm2 4.098 CV 1
OR { 9}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HA ))
ASSI { 207}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 18 and name HB2 ))
4.100 2.100 1.900 peak 207 spectrum 1 weight .10000E+01 volume .89993E-03 ppm1 8.531 ppm2 2.089 CV 1
OR { 207}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 20 and name HB3 ))
OR { 207}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 20 and name HB2 ))
ASSI { 146}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 47 and name H ))
3.700 1.700 1.700 peak 146 spectrum 1 weight .10000E+01 volume .68848E-03 ppm1 7.666 ppm2 7.938 CV 1
OR { 146}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 46 and name H ))
ASSI { 549}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 54 and name HG3 ))
3.600 1.600 1.600 peak 549 spectrum 1 weight .10000E+01 volume .11016E-02 ppm1 7.652 ppm2 1.414 CV 1
OR { 549}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 54 and name HG2 ))
OR { 549}
(( segid "A " and resid 55 and name H ))
( segid "A " and resid 53 and name HB% )
ASSI { 215}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HB3 ))
2.400 .700 .700 peak 215 spectrum 1 weight .10000E+01 volume .52470E-02 ppm1 7.774 ppm2 1.815 CV 1
OR { 215}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HB2 ))
OR { 215}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 102}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HB3 ))
2.900 1.000 1.000 peak 102 spectrum 1 weight .10000E+01 volume .23925E-02 ppm1 7.979 ppm2 2.457 CV 1
OR { 102}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HG3 ))
ASSI { 285}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name HA ))
3.000 1.100 1.100 peak 285 spectrum 1 weight .10000E+01 volume .22646E-02 ppm1 8.576 ppm2 4.430 CV 1
OR { 285}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 61 and name HA ))
ASSI { 244}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 77 and name H ))
2.200 .600 .600 peak 244 spectrum 1 weight .10000E+01 volume .73717E-02 ppm1 7.313 ppm2 7.485 CV 1
OR { 244}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name H ))
ASSI { 27}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HG3 ))
2.900 1.100 1.100 peak 27 spectrum 1 weight .10000E+01 volume .36907E-02 ppm1 7.495 ppm2 1.551 CV 1
OR { 27}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HG3 ))
OR { 27}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HG2 ))
ASSI { 33}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 74 and name HA ))
3.200 1.300 1.300 peak 33 spectrum 1 weight .10000E+01 volume .15589E-02 ppm1 7.494 ppm2 4.420 CV 1
OR { 33}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 76 and name HA ))
ASSI { 318}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HE2 ))
4.000 2.000 2.000 peak 318 spectrum 1 weight .10000E+01 volume .89503E-03 ppm1 7.493 ppm2 2.943 CV 1
OR { 318}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HE3 ))
OR { 318}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 29 and name HE2 ))
ASSI { 514}
(( segid "A " and resid 24 and name H ))
( segid "A " and resid 21 and name HG2%)
3.600 1.600 1.600 peak 514 spectrum 1 weight .10000E+01 volume .83848E-03 ppm1 8.156 ppm2 1.530 CV 1
OR { 514}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 27 and name HG3 ))
OR { 514}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 27 and name HG2 ))
ASSI { 114}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name H ))
2.600 .800 .800 peak 114 spectrum 1 weight .10000E+01 volume .30367E-02 ppm1 7.793 ppm2 8.585 CV 1
OR { 114}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 40 and name H ))
ASSI { 82}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HB2 ))
2.100 .600 .600 peak 82 spectrum 1 weight .10000E+01 volume .97937E-02 ppm1 8.003 ppm2 2.006 CV 1
OR { 82}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HB3 ))
OR { 82}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HB2 ))
ASSI { 23}
(( segid "A " and resid 20 and name H ))
( segid "A " and resid 19 and name HG1%)
3.300 1.300 1.300 peak 23 spectrum 1 weight .10000E+01 volume .11606E-02 ppm1 8.127 ppm2 .814 CV 1
OR { 23}
(( segid "A " and resid 20 and name H ))
( segid "B " and resid 145 and name HD1%)
ASSI { 227}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 48 and name HA ))
3.400 1.500 1.500 peak 227 spectrum 1 weight .10000E+01 volume .11114E-02 ppm1 7.672 ppm2 4.335 CV 1
OR { 227}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 50 and name HA ))
ASSI { 366}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HA ))
2.700 .900 .900 peak 366 spectrum 1 weight .10000E+01 volume .30145E-02 ppm1 8.576 ppm2 4.110 CV 1
OR { 366}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name HA ))
ASSI { 509}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 50 and name HA ))
2.800 1.000 1.000 peak 509 spectrum 1 weight .10000E+01 volume .28473E-02 ppm1 7.126 ppm2 4.368 CV 1
OR { 509}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 48 and name HA ))
ASSI { 435}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 41 and name H ))
3.800 1.800 1.800 peak 435 spectrum 1 weight .10000E+01 volume .71552E-03 ppm1 7.774 ppm2 8.552 CV 1
OR { 435}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 40 and name H ))
ASSI { 286}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HA ))
2.700 .900 .900 peak 286 spectrum 1 weight .10000E+01 volume .33760E-02 ppm1 7.935 ppm2 4.108 CV 1
OR { 286}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 44 and name HA ))
OR { 286}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HA ))
ASSI { 98}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 47 and name HA ))
3.400 1.400 1.400 peak 98 spectrum 1 weight .10000E+01 volume .11581E-02 ppm1 7.406 ppm2 4.176 CV 1
OR { 98}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 51 and name HA ))
ASSI { 107}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HG3 ))
3.400 1.500 1.500 peak 107 spectrum 1 weight .10000E+01 volume .19130E-02 ppm1 8.917 ppm2 1.668 CV 1
OR { 107}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 595}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 13 and name HB2 ))
3.700 1.700 1.700 peak 595 spectrum 1 weight .10000E+01 volume .10352E-02 ppm1 7.877 ppm2 4.092 CV 1
OR { 595}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 17 and name HA ))
OR { 595}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 14 and name HB2 ))
ASSI { 260}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 28 and name HB3 ))
3.900 1.900 1.900 peak 260 spectrum 1 weight .10000E+01 volume .94420E-03 ppm1 8.253 ppm2 1.874 CV 1
OR { 260}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 27 and name HB2 ))
OR { 260}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 560}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HB2 ))
2.700 .900 .900 peak 560 spectrum 1 weight .10000E+01 volume .32211E-02 ppm1 8.581 ppm2 2.760 CV 1
OR { 560}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HB3 ))
ASSI { 118}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 7 and name H ))
2.400 .700 .700 peak 118 spectrum 1 weight .10000E+01 volume .58717E-02 ppm1 8.345 ppm2 7.900 CV 1
OR { 118}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 65 and name H ))
ASSI { 410}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 43 and name HB2 ))
2.900 2.900 3.100 peak 410 spectrum 1 weight .10000E+01 volume .10032E-02 ppm1 8.389 ppm2 1.807 CV 1
OR { 410}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 43 and name HB3 ))
OR { 410}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 19 and name HB ))
ASSI { 55}
(( segid "A " and resid 64 and name H ))
( segid "A " and resid 63 and name HB% )
2.600 .800 .800 peak 55 spectrum 1 weight .10000E+01 volume .47208E-02 ppm1 8.575 ppm2 1.751 CV 1
OR { 55}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HG2 ))
ASSI { 80}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 44 and name H ))
2.600 .900 .900 peak 80 spectrum 1 weight .10000E+01 volume .27514E-02 ppm1 8.388 ppm2 8.016 CV 1
OR { 80}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name H ))
ASSI { 236}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 30 and name HB2 ))
3.300 1.300 1.300 peak 236 spectrum 1 weight .10000E+01 volume .22646E-02 ppm1 7.483 ppm2 2.634 CV 1
OR { 236}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 32 and name HB2 ))
ASSI { 381}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HA ))
2.500 .800 .800 peak 381 spectrum 1 weight .10000E+01 volume .42415E-02 ppm1 7.873 ppm2 4.050 CV 1
OR { 381}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 57 and name HA3 ))
ASSI { 377}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 44 and name HA ))
3.700 1.700 1.700 peak 377 spectrum 1 weight .10000E+01 volume .85076E-03 ppm1 8.716 ppm2 4.081 CV 1
OR { 377}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 46 and name HA ))
OR { 377}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 49 and name HA ))
ASSI { 439}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HG2 ))
2.800 1.000 1.000 peak 439 spectrum 1 weight .10000E+01 volume .50111E-02 ppm1 8.449 ppm2 1.974 CV 1
OR { 439}
(( segid "A " and resid 74 and name H ))
( segid "A " and resid 74 and name HE% )
OR { 439}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 8}
(( segid "A " and resid 20 and name HE21))
(( segid "A " and resid 12 and name HB2 ))
4.100 2.100 1.900 peak 8 spectrum 1 weight .10000E+01 volume .44013E-03 ppm1 6.670 ppm2 1.536 CV 1
OR { 8}
(( segid "A " and resid 20 and name HE21))
(( segid "B " and resid 145 and name HB2 ))
ASSI { 243}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 11 and name HB3 ))
2.700 .900 .900 peak 243 spectrum 1 weight .10000E+01 volume .31596E-02 ppm1 8.969 ppm2 1.536 CV 1
OR { 243}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HB2 ))
OR { 243}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 11 and name HB2 ))
ASSI { 386}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name H ))
2.500 .800 .800 peak 386 spectrum 1 weight .10000E+01 volume .34522E-02 ppm1 8.578 ppm2 7.938 CV 1
OR { 386}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 65 and name H ))
ASSI { 362}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 24 and name HG3 ))
3.500 1.600 1.600 peak 362 spectrum 1 weight .10000E+01 volume .25670E-02 ppm1 8.254 ppm2 2.467 CV 1
OR { 362}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 25 and name HG3 ))
ASSI { 350}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HA ))
2.600 .800 .800 peak 350 spectrum 1 weight .10000E+01 volume .38702E-02 ppm1 7.673 ppm2 4.029 CV 1
OR { 350}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 46 and name HA ))
ASSI { 124}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 17 and name HA ))
3.400 1.500 1.500 peak 124 spectrum 1 weight .10000E+01 volume .86552E-03 ppm1 8.066 ppm2 4.117 CV 1
OR { 124}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 59 and name HB3 ))
OR { 124}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 14 and name HB2 ))
ASSI { 335}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 63 and name HA ))
2.800 1.000 1.000 peak 335 spectrum 1 weight .10000E+01 volume .25080E-02 ppm1 7.987 ppm2 4.407 CV 1
OR { 335}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 60 and name HA ))
ASSI { 160}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 57 and name H ))
3.700 1.700 1.700 peak 160 spectrum 1 weight .10000E+01 volume .69338E-03 ppm1 7.648 ppm2 7.832 CV 1
OR { 160}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 58 and name H ))
ASSI { 117}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name HB2 ))
2.400 .700 .700 peak 117 spectrum 1 weight .10000E+01 volume .58642E-02 ppm1 7.984 ppm2 4.054 CV 1
OR { 117}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HA ))
OR { 117}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HA ))
OR { 117}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name HB3 ))
ASSI { 390}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HG2 ))
3.700 1.700 1.700 peak 390 spectrum 1 weight .10000E+01 volume .22670E-02 ppm1 8.405 ppm2 2.533 CV 1
OR { 390}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HG3 ))
OR { 390}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 61 and name HB2 ))
ASSI { 153}
(( segid "A " and resid 13 and name H ))
( segid "A " and resid 16 and name HB% )
3.000 1.100 1.100 peak 153 spectrum 1 weight .10000E+01 volume .22130E-02 ppm1 8.149 ppm2 1.318 CV 1
OR { 153}
(( segid "A " and resid 20 and name H ))
( segid "A " and resid 16 and name HB% )
ASSI { 453}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 47 and name HG3 ))
4.000 2.000 2.000 peak 453 spectrum 1 weight .10000E+01 volume .81882E-03 ppm1 8.715 ppm2 1.942 CV 1
OR { 453}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 49 and name HB3 ))
OR { 453}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 26}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 24 and name HB3 ))
4.400 2.400 1.600 peak 26 spectrum 1 weight .10000E+01 volume .48441E-03 ppm1 8.888 ppm2 2.245 CV 1
OR { 26}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 25 and name HB2 ))
OR { 26}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 20 and name HG3 ))
ASSI { 254}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 43 and name HG3 ))
3.100 1.200 1.200 peak 254 spectrum 1 weight .10000E+01 volume .19990E-02 ppm1 7.773 ppm2 1.496 CV 1
OR { 254}
(( segid "A " and resid 43 and name H ))
(( segid "A " and resid 42 and name HG3 ))
ASSI { 73}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 80 and name HG3 ))
2.600 2.600 3.400 peak 73 spectrum 1 weight .10000E+01 volume .17925E-02 ppm1 8.397 ppm2 2.021 CV 1
OR { 73}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 80 and name HG2 ))
OR { 73}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 393}
(( segid "A " and resid 77 and name H ))
( segid "A " and resid 74 and name HE% )
3.600 1.600 1.600 peak 393 spectrum 1 weight .10000E+01 volume .11335E-02 ppm1 7.474 ppm2 1.984 CV 1
OR { 393}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 130}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HA ))
2.600 .800 .800 peak 130 spectrum 1 weight .10000E+01 volume .42095E-02 ppm1 7.648 ppm2 4.052 CV 1
OR { 130}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 54 and name HA ))
OR { 130}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 200}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HA ))
2.900 1.100 1.100 peak 200 spectrum 1 weight .10000E+01 volume .18195E-02 ppm1 8.602 ppm2 4.042 CV 1
OR { 200}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HA ))
OR { 200}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 58 and name HA ))
ASSI { 404}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HA ))
2.600 .800 .800 peak 404 spectrum 1 weight .10000E+01 volume .45807E-02 ppm1 7.433 ppm2 3.968 CV 1
OR { 404}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name HA ))
ASSI { 484}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 56 and name HE3 ))
4.300 2.300 1.700 peak 484 spectrum 1 weight .10000E+01 volume .71062E-03 ppm1 10.172 ppm2 1.973 CV 1
OR { 484}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 49 and name HB2 ))
OR { 484}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 49 and name HB3 ))
ASSI { 137}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HB2 ))
2.600 .900 .900 peak 137 spectrum 1 weight .10000E+01 volume .38383E-02 ppm1 7.936 ppm2 2.207 CV 1
OR { 137}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HB3 ))
OR { 137}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 495}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 80 and name HA ))
1.900 .500 .500 peak 495 spectrum 1 weight .10000E+01 volume .21468E-01 ppm1 8.399 ppm2 4.389 CV 1
OR { 495}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HA ))
ASSI { 152}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HB2 ))
3.900 1.900 1.900 peak 152 spectrum 1 weight .10000E+01 volume .96386E-03 ppm1 8.389 ppm2 2.123 CV 1
OR { 152}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 47 and name HB2 ))
ASSI { 357}
(( segid "A " and resid 20 and name H ))
( segid "A " and resid 12 and name HE% )
4.100 2.100 1.900 peak 357 spectrum 1 weight .10000E+01 volume .65406E-03 ppm1 8.149 ppm2 1.173 CV 1
OR { 357}
(( segid "A " and resid 13 and name H ))
( segid "A " and resid 12 and name HE% )
ASSI { 391}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HA ))
2.900 1.000 1.000 peak 391 spectrum 1 weight .10000E+01 volume .23015E-02 ppm1 8.356 ppm2 4.101 CV 1
OR { 391}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 21 and name HA ))
ASSI { 163}
(( segid "A " and resid 54 and name H ))
( segid "A " and resid 53 and name HB% )
3.200 1.300 1.300 peak 163 spectrum 1 weight .10000E+01 volume .16228E-02 ppm1 8.249 ppm2 1.411 CV 1
OR { 163}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HG2 ))
OR { 163}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HG3 ))
ASSI { 426}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HB2 ))
3.300 1.300 1.300 peak 426 spectrum 1 weight .10000E+01 volume .18884E-02 ppm1 8.160 ppm2 1.940 CV 1
OR { 426}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 388}
(( segid "A " and resid 69 and name H ))
( segid "A " and resid 68 and name HB% )
2.700 .900 .900 peak 388 spectrum 1 weight .10000E+01 volume .33735E-02 ppm1 7.955 ppm2 1.554 CV 1
OR { 388}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HG3 ))
ASSI { 527}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HB3 ))
3.500 1.500 1.500 peak 527 spectrum 1 weight .10000E+01 volume .78192E-03 ppm1 8.860 ppm2 4.060 CV 1
OR { 527}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 54 and name HA ))
ASSI { 103}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 20 and name H ))
2.800 1.000 1.000 peak 103 spectrum 1 weight .10000E+01 volume .17777E-02 ppm1 8.530 ppm2 8.098 CV 1
OR { 103}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 18 and name H ))
ASSI { 428}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HB3 ))
2.600 .900 .900 peak 428 spectrum 1 weight .10000E+01 volume .45834E-02 ppm1 8.481 ppm2 1.994 CV 1
OR { 428}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HB2 ))
OR { 428}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name HG2 ))
ASSI { 290}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 25 and name HA ))
2.700 .900 .900 peak 290 spectrum 1 weight .10000E+01 volume .34965E-02 ppm1 8.256 ppm2 4.050 CV 1
OR { 290}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 24 and name HA ))
ASSI { 183}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HE2 ))
4.200 2.200 1.800 peak 183 spectrum 1 weight .10000E+01 volume .85076E-03 ppm1 8.354 ppm2 2.996 CV 1
OR { 183}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HE3 ))
OR { 183}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 7 and name HE3 ))
ASSI { 552}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 35 and name HA ))
3.700 1.700 1.700 peak 552 spectrum 1 weight .10000E+01 volume .53601E-03 ppm1 7.053 ppm2 3.987 CV 1
OR { 552}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 37 and name HA ))
OR { 552}
(( segid "A " and resid 36 and name HD21))
(( segid "A " and resid 40 and name HA ))
ASSI { 49}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HB3 ))
2.400 .700 .700 peak 49 spectrum 1 weight .10000E+01 volume .71552E-02 ppm1 8.577 ppm2 2.013 CV 1
OR { 49}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HB2 ))
OR { 49}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name HB2 ))
ASSI { 487}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 67 and name H ))
2.600 .900 .900 peak 487 spectrum 1 weight .10000E+01 volume .28768E-02 ppm1 8.354 ppm2 8.177 CV 1
OR { 487}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 21 and name H ))
ASSI { 351}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 33 and name H ))
4.400 2.400 1.600 peak 351 spectrum 1 weight .10000E+01 volume .53358E-03 ppm1 8.569 ppm2 7.491 CV 1
OR { 351}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 26 and name HE1 ))
ASSI { 304}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name HA ))
3.000 1.200 1.200 peak 304 spectrum 1 weight .10000E+01 volume .19105E-02 ppm1 7.377 ppm2 4.446 CV 1
OR { 304}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 59 and name HA ))
ASSI { 568}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 67 and name HA ))
3.400 1.500 1.500 peak 568 spectrum 1 weight .10000E+01 volume .12786E-02 ppm1 7.458 ppm2 4.021 CV 1
OR { 568}
(( segid "A " and resid 68 and name H ))
(( segid "A " and resid 69 and name HA ))
ASSI { 396}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 35 and name HA ))
3.500 3.500 2.500 peak 396 spectrum 1 weight .10000E+01 volume .61965E-03 ppm1 7.720 ppm2 3.984 CV 1
OR { 396}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 37 and name HA ))
OR { 396}
(( segid "A " and resid 36 and name HD22))
(( segid "A " and resid 40 and name HA ))
ASSI { 129}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HA ))
2.500 .800 .800 peak 129 spectrum 1 weight .10000E+01 volume .52077E-02 ppm1 8.578 ppm2 4.020 CV 1
OR { 129}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HA ))
ASSI { 239}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HB2 ))
2.300 .700 .700 peak 239 spectrum 1 weight .10000E+01 volume .80896E-02 ppm1 8.344 ppm2 1.840 CV 1
OR { 239}
(( segid "A " and resid 2 and name H ))
(( segid "A " and resid 2 and name HB3 ))
OR { 239}
(( segid "A " and resid 2 and name H ))
(( segid "A " and resid 2 and name HB2 ))
OR { 239}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HB3 ))
ASSI { 246}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HB3 ))
2.700 .900 .900 peak 246 spectrum 1 weight .10000E+01 volume .23605E-02 ppm1 8.573 ppm2 2.982 CV 1
OR { 246}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 36 and name HB3 ))
ASSI { 571}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HA ))
2.700 .900 .900 peak 571 spectrum 1 weight .10000E+01 volume .34621E-02 ppm1 8.022 ppm2 3.954 CV 1
OR { 571}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 27 and name HA ))
ASSI { 451}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 65 and name HA ))
3.800 1.800 1.800 peak 451 spectrum 1 weight .10000E+01 volume .81882E-03 ppm1 8.202 ppm2 4.296 CV 1
OR { 451}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 68 and name HA ))
ASSI { 63}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HG3 ))
2.800 1.000 1.000 peak 63 spectrum 1 weight .10000E+01 volume .24736E-02 ppm1 8.577 ppm2 1.506 CV 1
OR { 63}
(( segid "A " and resid 64 and name H ))
( segid "A " and resid 65 and name HB% )
ASSI { 427}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 40 and name HA ))
2.900 1.000 1.000 peak 427 spectrum 1 weight .10000E+01 volume .30859E-02 ppm1 8.554 ppm2 4.027 CV 1
OR { 427}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 37 and name HA ))
OR { 427}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 42 and name HA ))
ASSI { 387}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name HA ))
4.200 2.200 1.800 peak 387 spectrum 1 weight .10000E+01 volume .78192E-03 ppm1 8.593 ppm2 3.770 CV 1
OR { 387}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 41 and name HA ))
OR { 387}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 371}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 13 and name HB2 ))
3.200 1.300 1.300 peak 371 spectrum 1 weight .10000E+01 volume .12294E-02 ppm1 8.133 ppm2 4.094 CV 1
OR { 371}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 17 and name HA ))
ASSI { 368}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HG2 ))
3.000 1.100 1.100 peak 368 spectrum 1 weight .10000E+01 volume .21490E-02 ppm1 7.371 ppm2 2.629 CV 1
OR { 368}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name HB2 ))
ASSI { 507}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 48 and name HB3 ))
4.100 2.100 1.900 peak 507 spectrum 1 weight .10000E+01 volume .10179E-02 ppm1 7.937 ppm2 3.348 CV 1
OR { 507}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HD3 ))
OR { 507}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 48 and name HB2 ))
ASSI { 156}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HA ))
2.700 .900 .900 peak 156 spectrum 1 weight .10000E+01 volume .34842E-02 ppm1 8.066 ppm2 4.076 CV 1
OR { 156}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HA ))
OR { 156}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 45 and name HB3 ))
ASSI { 89}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HB3 ))
3.100 1.200 1.200 peak 89 spectrum 1 weight .10000E+01 volume .15884E-02 ppm1 8.605 ppm2 2.219 CV 1
OR { 89}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HG3 ))
ASSI { 395}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HA ))
2.700 .900 .900 peak 395 spectrum 1 weight .10000E+01 volume .40325E-02 ppm1 8.516 ppm2 4.482 CV 1
OR { 395}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 33 and name HA ))
ASSI { 180}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name H ))
2.900 1.100 1.100 peak 180 spectrum 1 weight .10000E+01 volume .16966E-02 ppm1 7.982 ppm2 8.390 CV 1
OR { 180}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 71 and name H ))
ASSI { 267}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HG2 ))
3.900 1.900 1.900 peak 267 spectrum 1 weight .10000E+01 volume .16327E-02 ppm1 8.408 ppm2 2.577 CV 1
OR { 267}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 61 and name HB2 ))
ASSI { 12}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name HB3 ))
3.300 1.400 1.400 peak 12 spectrum 1 weight .10000E+01 volume .15023E-02 ppm1 8.402 ppm2 4.096 CV 1
OR { 12}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 58 and name HA ))
OR { 12}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 56 and name HA ))
ASSI { 565}
(( segid "A " and resid 56 and name H ))
( segid "A " and resid 51 and name HE% )
3.200 1.200 1.200 peak 565 spectrum 1 weight .10000E+01 volume .25105E-02 ppm1 8.104 ppm2 1.771 CV 1
OR { 565}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 413}
(( segid "A " and resid 2 and name H ))
(( segid "A " and resid 2 and name HD3 ))
3.700 1.700 1.700 peak 413 spectrum 1 weight .10000E+01 volume .15737E-02 ppm1 8.345 ppm2 1.670 CV 1
OR { 413}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HD3 ))
OR { 413}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HD2 ))
OR { 413}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 7 and name HB3 ))
ASSI { 477}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HA ))
3.100 1.200 1.200 peak 477 spectrum 1 weight .10000E+01 volume .14679E-02 ppm1 8.248 ppm2 4.042 CV 1
OR { 477}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 317}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HA ))
2.400 .700 .700 peak 317 spectrum 1 weight .10000E+01 volume .66732E-02 ppm1 7.494 ppm2 3.978 CV 1
OR { 317}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HA ))
ASSI { 67}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 61 and name HB3 ))
4.800 2.900 1.200 peak 67 spectrum 1 weight .10000E+01 volume .57047E-03 ppm1 7.872 ppm2 2.764 CV 1
OR { 67}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HE2 ))
ASSI { 238}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HB3 ))
2.200 .600 .600 peak 238 spectrum 1 weight .10000E+01 volume .12471E-01 ppm1 7.498 ppm2 1.869 CV 1
OR { 238}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HB2 ))
OR { 238}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 143}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 30 and name HB3 ))
3.200 1.300 1.300 peak 143 spectrum 1 weight .10000E+01 volume .18638E-02 ppm1 7.481 ppm2 2.769 CV 1
OR { 143}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 32 and name HB3 ))
ASSI { 354}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HG2 ))
3.900 1.900 1.900 peak 354 spectrum 1 weight .10000E+01 volume .10671E-02 ppm1 7.407 ppm2 1.675 CV 1
OR { 354}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 51 and name HB3 ))
ASSI { 193}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 26 and name H ))
3.700 1.700 1.700 peak 193 spectrum 1 weight .10000E+01 volume .80406E-03 ppm1 7.496 ppm2 8.237 CV 1
OR { 193}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 25 and name H ))
ASSI { 418}
(( segid "A " and resid 71 and name H ))
( segid "A " and resid 68 and name HB% )
3.000 1.100 1.100 peak 418 spectrum 1 weight .10000E+01 volume .10671E-02 ppm1 8.426 ppm2 1.549 CV 1
OR { 418}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 67 and name HG2 ))
OR { 418}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 67 and name HG3 ))
OR { 418}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 75 and name HG3 ))
ASSI { 197}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 12 and name HB2 ))
3.800 1.800 1.800 peak 197 spectrum 1 weight .10000E+01 volume .10008E-02 ppm1 8.143 ppm2 1.555 CV 1
OR { 197}
(( segid "A " and resid 20 and name H ))
( segid "A " and resid 21 and name HG2%)
ASSI { 479}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 49 and name HA ))
4.200 2.200 1.800 peak 479 spectrum 1 weight .10000E+01 volume .45489E-03 ppm1 10.174 ppm2 4.074 CV 1
OR { 479}
(( segid "A " and resid 48 and name HE1 ))
(( segid "A " and resid 56 and name HA ))
ASSI { 398}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 73 and name H ))
2.400 .700 .700 peak 398 spectrum 1 weight .10000E+01 volume .44654E-02 ppm1 8.004 ppm2 8.457 CV 1
OR { 398}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name H ))
ASSI { 510}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HB3 ))
3.200 1.300 1.300 peak 510 spectrum 1 weight .10000E+01 volume .23556E-02 ppm1 7.275 ppm2 4.108 CV 1
OR { 510}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HA ))
OR { 510}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 56 and name HA ))
ASSI { 284}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HA ))
2.600 .800 .800 peak 284 spectrum 1 weight .10000E+01 volume .48958E-02 ppm1 7.464 ppm2 4.048 CV 1
OR { 284}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 39 and name HA ))
OR { 284}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 40 and name HA ))
ASSI { 133}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 27 and name HG3 ))
3.900 1.900 1.900 peak 133 spectrum 1 weight .10000E+01 volume .93192E-03 ppm1 8.252 ppm2 1.527 CV 1
OR { 133}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 27 and name HG2 ))
OR { 133}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 28 and name HG3 ))
OR { 133}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 27 and name HG2 ))
OR { 133}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 28 and name HG3 ))
OR { 133}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 148}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 72 and name HG2 ))
3.600 1.600 1.600 peak 148 spectrum 1 weight .10000E+01 volume .12245E-02 ppm1 7.957 ppm2 1.768 CV 1
OR { 148}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 67 and name HD3 ))
OR { 148}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 67 and name HD2 ))
ASSI { 573}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 58 and name H ))
3.600 1.600 1.600 peak 573 spectrum 1 weight .10000E+01 volume .84091E-03 ppm1 8.401 ppm2 7.876 CV 1
OR { 573}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 57 and name H ))
ASSI { 126}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 21 and name HA ))
2.800 1.000 1.000 peak 126 spectrum 1 weight .10000E+01 volume .24293E-02 ppm1 8.140 ppm2 4.116 CV 1
OR { 126}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 17 and name HA ))
ASSI { 87}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HA ))
2.700 .900 .900 peak 87 spectrum 1 weight .10000E+01 volume .36907E-02 ppm1 8.604 ppm2 4.445 CV 1
OR { 87}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HA ))
ASSI { 292}
(( segid "A " and resid 55 and name H ))
( segid "A " and resid 51 and name HE% )
3.300 1.400 1.400 peak 292 spectrum 1 weight .10000E+01 volume .25400E-02 ppm1 7.650 ppm2 1.762 CV 1
OR { 292}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 54 and name HD2 ))
OR { 292}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 604}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 33 and name HA ))
2.400 .700 .700 peak 604 spectrum 1 weight .10000E+01 volume .54661E-02 ppm1 8.570 ppm2 4.433 CV 1
OR { 604}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HA ))
ASSI { 24}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 17 and name H ))
3.200 1.300 1.300 peak 24 spectrum 1 weight .10000E+01 volume .74256E-03 ppm1 7.900 ppm2 8.186 CV 1
OR { 24}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 17 and name H ))
ASSI { 104}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HG3 ))
3.100 1.200 1.200 peak 104 spectrum 1 weight .10000E+01 volume .15294E-02 ppm1 8.004 ppm2 1.595 CV 1
OR { 104}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 73 and name HB3 ))
ASSI { 253}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HG2 ))
3.900 1.900 1.900 peak 253 spectrum 1 weight .10000E+01 volume .12565E-02 ppm1 7.461 ppm2 1.386 CV 1
OR { 253}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 43 and name HG2 ))
ASSI { 58}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HG3 ))
2.700 .900 .900 peak 58 spectrum 1 weight .10000E+01 volume .39022E-02 ppm1 8.346 ppm2 1.476 CV 1
OR { 58}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HG2 ))
OR { 58}
(( segid "A " and resid 2 and name H ))
(( segid "A " and resid 2 and name HG3 ))
OR { 58}
(( segid "A " and resid 2 and name H ))
(( segid "A " and resid 2 and name HG2 ))
ASSI { 494}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 53 and name HA ))
3.400 1.500 1.500 peak 494 spectrum 1 weight .10000E+01 volume .11581E-02 ppm1 8.110 ppm2 3.887 CV 1
OR { 494}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 57 and name HA2 ))
ASSI { 132}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HG3 ))
3.700 1.700 1.700 peak 132 spectrum 1 weight .10000E+01 volume .11237E-02 ppm1 8.623 ppm2 1.648 CV 1
OR { 132}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 53}
(( segid "A " and resid 67 and name HD2 ))
(( segid "A " and resid 67 and name HE3 ))
2.300 .700 .700 peak 53 spectrum 1 weight .10000E+01 volume .76792E-02 ppm1 1.791 ppm2 3.094 CV 1
OR { 53}
(( segid "A " and resid 67 and name HD3 ))
(( segid "A " and resid 67 and name HE2 ))
OR { 53}
(( segid "A " and resid 67 and name HD3 ))
(( segid "A " and resid 67 and name HE3 ))
OR { 53}
(( segid "A " and resid 67 and name HD2 ))
(( segid "A " and resid 67 and name HE2 ))
OR { 53}
(( segid "A " and resid 9 and name HB3 ))
(( segid "A " and resid 9 and name HD2 ))
ASSI { 60}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 30 and name H ))
2.800 2.800 3.200 peak 60 spectrum 1 weight .10000E+01 volume .91708E-03 ppm1 1.424 ppm2 8.039 CV 1
OR { 60}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 27 and name H ))
ASSI { 1615}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 25 and name H ))
2.400 .700 .700 peak 1615 spectrum 1 weight .10000E+01 volume .54352E-02 ppm1 2.137 ppm2 8.247 CV 1
OR { 1615}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 26 and name H ))
ASSI { 818}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 69 and name HA ))
3.500 1.500 1.500 peak 818 spectrum 1 weight .10000E+01 volume .16964E-02 ppm1 1.574 ppm2 4.069 CV 1
OR { 818}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 67 and name HA ))
ASSI { 1613}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 78 and name HB ))
3.000 1.100 1.100 peak 1613 spectrum 1 weight .10000E+01 volume .18509E-02 ppm1 7.087 ppm2 1.653 CV 1
OR { 1613}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 8 and name HG2 ))
OR { 1613}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 7 and name HB3 ))
ASSI { 133}
(( segid "A " and resid 79 and name HG3 ))
(( segid "A " and resid 79 and name HB3 ))
1.800 .400 .400 peak 133 spectrum 1 weight .10000E+01 volume .24001E-01 ppm1 2.037 ppm2 1.857 CV 1
OR { 133}
(( segid "A " and resid 80 and name HG2 ))
(( segid "A " and resid 80 and name HB3 ))
OR { 133}
(( segid "A " and resid 80 and name HG3 ))
(( segid "A " and resid 80 and name HB3 ))
ASSI { 1217}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 64 and name HD3 ))
4.300 2.400 1.700 peak 1217 spectrum 1 weight .10000E+01 volume .69197E-03 ppm1 2.582 ppm2 1.737 CV 1
OR { 1217}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 64 and name HD2 ))
OR { 1217}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 62 and name HB2 ))
OR { 1217}
(( segid "A " and resid 61 and name HB2 ))
( segid "A " and resid 63 and name HB% )
ASSI { 1579}
( segid "A " and resid 35 and name HG1%)
(( segid "B " and resid 154 and name HZ ))
3.600 1.600 1.600 peak 1579 spectrum 1 weight .10000E+01 volume .11052E-02 ppm1 .537 ppm2 7.116 CV 1
OR { 1579}
( segid "A " and resid 35 and name HG1%)
( segid "B " and resid 154 and name HD% )
OR { 1579}
( segid "A " and resid 35 and name HG1%)
( segid "A " and resid 37 and name HD% )
ASSI { 743}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 64 and name H ))
3.900 1.900 1.900 peak 743 spectrum 1 weight .10000E+01 volume .15418E-02 ppm1 1.541 ppm2 8.583 CV 1
OR { 743}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 70 and name H ))
ASSI { 558}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 63 and name HB% )
2.900 1.100 1.100 peak 558 spectrum 1 weight .10000E+01 volume .24354E-02 ppm1 4.363 ppm2 1.767 CV 1
OR { 558}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 51 and name HB2 ))
ASSI { 1582}
(( segid "A " and resid 57 and name HA3 ))
(( segid "A " and resid 57 and name H ))
2.700 .900 .900 peak 1582 spectrum 1 weight .10000E+01 volume .23212E-02 ppm1 4.026 ppm2 7.863 CV 1
OR { 1582}
(( segid "A " and resid 57 and name HA3 ))
(( segid "A " and resid 58 and name H ))
ASSI { 511}
(( segid "A " and resid 74 and name HG2 ))
(( segid "A " and resid 74 and name HA ))
2.400 .700 .700 peak 511 spectrum 1 weight .10000E+01 volume .99329E-02 ppm1 1.992 ppm2 4.463 CV 1
OR { 511}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 61 and name HA ))
OR { 511}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 61 and name HA ))
ASSI { 239}
(( segid "A " and resid 43 and name HG2 ))
(( segid "A " and resid 43 and name H ))
2.500 .800 .800 peak 239 spectrum 1 weight .10000E+01 volume .25832E-02 ppm1 1.408 ppm2 7.799 CV 1
OR { 239}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 43 and name H ))
ASSI { 977}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 9 and name HD2 ))
3.200 1.300 1.300 peak 977 spectrum 1 weight .10000E+01 volume .11824E-02 ppm1 1.186 ppm2 3.110 CV 1
OR { 977}
( segid "A " and resid 12 and name HE% )
(( segid "B " and resid 154 and name HB2 ))
OR { 977}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 66 and name HB2 ))
ASSI { 693}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name H ))
2.900 1.000 1.000 peak 693 spectrum 1 weight .10000E+01 volume .18509E-02 ppm1 4.140 ppm2 8.224 CV 1
OR { 693}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 25 and name H ))
ASSI { 853}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 20 and name H ))
3.200 1.200 1.200 peak 853 spectrum 1 weight .10000E+01 volume .16393E-02 ppm1 1.772 ppm2 8.104 CV 1
OR { 853}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name H ))
OR { 853}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 18 and name H ))
ASSI { 1224}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HA ))
3.000 1.200 1.200 peak 1224 spectrum 1 weight .10000E+01 volume .18543E-02 ppm1 3.076 ppm2 4.035 CV 1
OR { 1224}
(( segid "A " and resid 70 and name HB3 ))
(( segid "A " and resid 70 and name HA ))
ASSI { 510}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 23 and name HB3 ))
3.200 1.300 1.300 peak 510 spectrum 1 weight .10000E+01 volume .10414E-02 ppm1 3.881 ppm2 1.760 CV 1
OR { 510}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 19 and name HB ))
ASSI { 1405}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 45 and name HB3 ))
3.900 1.900 1.900 peak 1405 spectrum 1 weight .10000E+01 volume .84316E-03 ppm1 6.352 ppm2 4.063 CV 1
OR { 1405}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 49 and name HA ))
OR { 1405}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 45 and name HB2 ))
OR { 1405}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 44 and name HA ))
ASSI { 170}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 70 and name HB2 ))
3.700 1.700 1.700 peak 170 spectrum 1 weight .10000E+01 volume .54083E-03 ppm1 4.077 ppm2 3.191 CV 1
OR { 170}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 66 and name HB3 ))
ASSI { 1018}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name H ))
2.700 .900 .900 peak 1018 spectrum 1 weight .10000E+01 volume .30400E-02 ppm1 4.034 ppm2 8.578 CV 1
OR { 1018}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 41 and name H ))
ASSI { 918}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 48 and name HB2 ))
3.400 1.500 1.500 peak 918 spectrum 1 weight .10000E+01 volume .13336E-02 ppm1 1.813 ppm2 3.374 CV 1
OR { 918}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 59 and name HB2 ))
ASSI { 663}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 24 and name HG3 ))
4.100 2.100 1.900 peak 663 spectrum 1 weight .10000E+01 volume .11152E-02 ppm1 4.136 ppm2 2.464 CV 1
OR { 663}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 22 and name HB2 ))
ASSI { 942}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 42 and name H ))
4.200 2.200 1.800 peak 942 spectrum 1 weight .10000E+01 volume .46691E-03 ppm1 .806 ppm2 7.462 CV 1
OR { 942}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 153 and name HE3 ))
ASSI { 934}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 40 and name HB2 ))
3.300 1.300 1.300 peak 934 spectrum 1 weight .10000E+01 volume .15183E-02 ppm1 .354 ppm2 2.772 CV 1
OR { 934}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 36 and name HB2 ))
ASSI { 237}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 23 and name HB3 ))
4.200 2.200 1.800 peak 237 spectrum 1 weight .10000E+01 volume .42662E-03 ppm1 6.805 ppm2 1.763 CV 1
OR { 237}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 19 and name HB ))
ASSI { 176}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HB2 ))
2.200 .600 .600 peak 176 spectrum 1 weight .10000E+01 volume .12231E-01 ppm1 4.189 ppm2 1.988 CV 1
OR { 176}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HB3 ))
OR { 176}
(( segid "A " and resid 47 and name HA ))
(( segid "A " and resid 47 and name HG3 ))
ASSI { 1541}
(( segid "A " and resid 69 and name HB3 ))
(( segid "A " and resid 70 and name HB3 ))
4.000 2.000 2.000 peak 1541 spectrum 1 weight .10000E+01 volume .66847E-03 ppm1 2.517 ppm2 3.118 CV 1
OR { 1541}
(( segid "A " and resid 69 and name HB3 ))
(( segid "A " and resid 66 and name HB3 ))
ASSI { 1317}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 56 and name HA ))
3.000 3.000 3.000 peak 1317 spectrum 1 weight .10000E+01 volume .64160E-03 ppm1 1.928 ppm2 4.109 CV 1
OR { 1317}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 52 and name HB3 ))
OR { 1317}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 55 and name HA ))
ASSI { 1631}
(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 56 and name HB3 ))
2.800 1.000 1.000 peak 1631 spectrum 1 weight .10000E+01 volume .12798E-02 ppm1 1.001 ppm2 1.791 CV 1
OR { 1631}
(( segid "A " and resid 56 and name HG2 ))
( segid "A " and resid 51 and name HE% )
ASSI { 1321}
(( segid "A " and resid 20 and name HG3 ))
( segid "A " and resid 21 and name HG2%)
4.300 2.300 1.700 peak 1321 spectrum 1 weight .10000E+01 volume .81630E-03 ppm1 2.292 ppm2 1.567 CV 1
OR { 1321}
(( segid "A " and resid 20 and name HG2 ))
(( segid "B " and resid 145 and name HG ))
OR { 1321}
(( segid "A " and resid 20 and name HG2 ))
( segid "A " and resid 21 and name HG2%)
OR { 1321}
(( segid "A " and resid 20 and name HG3 ))
(( segid "B " and resid 145 and name HG ))
OR { 1321}
(( segid "A " and resid 20 and name HG3 ))
(( segid "B " and resid 145 and name HB2 ))
ASSI { 1544}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 54 and name HB3 ))
3.200 1.200 1.200 peak 1544 spectrum 1 weight .10000E+01 volume .28418E-02 ppm1 2.378 ppm2 1.805 CV 1
OR { 1544}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 54 and name HB2 ))
OR { 1544}
(( segid "A " and resid 55 and name HG3 ))
( segid "A " and resid 51 and name HE% )
OR { 1544}
(( segid "A " and resid 55 and name HG2 ))
( segid "A " and resid 51 and name HE% )
ASSI { 947}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 50 and name H ))
3.700 1.700 1.700 peak 947 spectrum 1 weight .10000E+01 volume .78939E-03 ppm1 4.349 ppm2 7.418 CV 1
OR { 947}
(( segid "A " and resid 48 and name HA ))
( segid "A " and resid 18 and name HE% )
ASSI { 678}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 48 and name HZ3 ))
3.800 1.800 1.800 peak 678 spectrum 1 weight .10000E+01 volume .39638E-03 ppm1 7.600 ppm2 6.413 CV 1
OR { 678}
( segid "A " and resid 59 and name HD% )
( segid "A " and resid 18 and name HD% )
ASSI { 391}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 43 and name HB2 ))
3.300 1.300 1.300 peak 391 spectrum 1 weight .10000E+01 volume .11824E-02 ppm1 4.116 ppm2 1.775 CV 1
OR { 391}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 43 and name HB3 ))
OR { 391}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 23 and name HB3 ))
ASSI { 1532}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 27 and name HA ))
3.900 1.900 1.900 peak 1532 spectrum 1 weight .10000E+01 volume .59795E-03 ppm1 6.881 ppm2 3.971 CV 1
OR { 1532}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 29 and name HA ))
ASSI { 532}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name HB3 ))
2.900 1.100 1.100 peak 532 spectrum 1 weight .10000E+01 volume .30535E-02 ppm1 2.470 ppm2 1.893 CV 1
OR { 532}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 27 and name HB2 ))
OR { 532}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 28 and name HB3 ))
OR { 532}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 1299}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 61 and name H ))
2.900 2.900 3.100 peak 1299 spectrum 1 weight .10000E+01 volume .70880E-03 ppm1 1.915 ppm2 8.600 CV 1
OR { 1299}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 64 and name H ))
ASSI { 1324}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 26 and name H ))
3.400 1.400 1.400 peak 1324 spectrum 1 weight .10000E+01 volume .98423E-03 ppm1 3.752 ppm2 8.217 CV 1
OR { 1324}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 24 and name H ))
ASSI { 477}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
3.100 1.200 1.200 peak 477 spectrum 1 weight .10000E+01 volume .28116E-02 ppm1 3.851 ppm2 1.577 CV 1
OR { 477}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HG3 ))
OR { 477}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 955}
(( segid "A " and resid 11 and name HE2 ))
(( segid "A " and resid 11 and name HA ))
3.500 1.500 1.500 peak 955 spectrum 1 weight .10000E+01 volume .21667E-02 ppm1 2.791 ppm2 4.065 CV 1
OR { 955}
(( segid "A " and resid 11 and name HE2 ))
(( segid "A " and resid 67 and name HA ))
OR { 955}
(( segid "A " and resid 58 and name HE2 ))
(( segid "A " and resid 58 and name HA ))
ASSI { 665}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 29 and name HD3 ))
2.900 1.000 1.000 peak 665 spectrum 1 weight .10000E+01 volume .52775E-02 ppm1 2.336 ppm2 1.583 CV 1
OR { 665}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 27 and name HG3 ))
OR { 665}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 27 and name HG2 ))
OR { 665}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 28 and name HG3 ))
OR { 665}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 1421}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 70 and name HB3 ))
4.000 2.000 2.000 peak 1421 spectrum 1 weight .10000E+01 volume .75581E-03 ppm1 1.184 ppm2 3.102 CV 1
OR { 1421}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 66 and name HB2 ))
OR { 1421}
(( segid "A " and resid 11 and name HG3 ))
(( segid "A " and resid 66 and name HB3 ))
ASSI { 1042}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HE3 ))
2.700 .900 .900 peak 1042 spectrum 1 weight .10000E+01 volume .41687E-02 ppm1 1.335 ppm2 2.981 CV 1
OR { 1042}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HE2 ))
OR { 1042}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 8 and name HD3 ))
ASSI { 489}
(( segid "A " and resid 48 and name HE3 ))
( segid "A " and resid 59 and name HE% )
4.700 2.800 1.300 peak 489 spectrum 1 weight .10000E+01 volume .40310E-03 ppm1 6.125 ppm2 7.696 CV 1
OR { 489}
(( segid "A " and resid 48 and name HE3 ))
(( segid "A " and resid 49 and name H ))
ASSI { 255}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 28 and name H ))
2.500 .800 .800 peak 255 spectrum 1 weight .10000E+01 volume .60834E-02 ppm1 3.991 ppm2 7.483 CV 1
OR { 255}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 28 and name H ))
OR { 255}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 29 and name H ))
ASSI { 1275}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 66 and name HB2 ))
4.000 2.000 2.000 peak 1275 spectrum 1 weight .10000E+01 volume .10817E-02 ppm1 1.786 ppm2 3.078 CV 1
OR { 1275}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 64 and name HE3 ))
ASSI { 1236}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HB3 ))
2.100 .600 .600 peak 1236 spectrum 1 weight .10000E+01 volume .17216E-01 ppm1 4.059 ppm2 1.694 CV 1
OR { 1236}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 58 and name HB3 ))
OR { 1236}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HG2 ))
OR { 1236}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HD3 ))
OR { 1236}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 49 and name HG2 ))
OR { 1236}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HD2 ))
OR { 1236}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HD3 ))
OR { 1236}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HD2 ))
ASSI { 430}
( segid "A " and resid 37 and name HE% )
(( segid "B " and resid 147 and name HG2 ))
3.900 1.900 1.900 peak 430 spectrum 1 weight .10000E+01 volume .53747E-03 ppm1 7.009 ppm2 2.025 CV 1
OR { 430}
( segid "A " and resid 37 and name HE% )
(( segid "B " and resid 147 and name HG3 ))
OR { 430}
( segid "A " and resid 37 and name HE% )
(( segid "B " and resid 144 and name HB2 ))
OR { 430}
( segid "A " and resid 37 and name HE% )
(( segid "B " and resid 151 and name HB2 ))
ASSI { 168}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 22 and name HA ))
4.200 2.200 1.800 peak 168 spectrum 1 weight .10000E+01 volume .78268E-03 ppm1 1.951 ppm2 4.125 CV 1
OR { 168}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 21 and name HA ))
ASSI { 1306}
(( segid "A " and resid 56 and name HG3 ))
( segid "A " and resid 51 and name HE% )
3.200 1.300 1.300 peak 1306 spectrum 1 weight .10000E+01 volume .11455E-02 ppm1 -.021 ppm2 1.799 CV 1
OR { 1306}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 152}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 17 and name H ))
3.200 1.300 1.300 peak 152 spectrum 1 weight .10000E+01 volume .25933E-02 ppm1 1.188 ppm2 8.169 CV 1
OR { 152}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 20 and name H ))
OR { 152}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 13 and name H ))
ASSI { 652}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 20 and name HB3 ))
2.400 .700 .700 peak 652 spectrum 1 weight .10000E+01 volume .63758E-02 ppm1 1.189 ppm2 2.049 CV 1
OR { 652}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 12 and name HG3 ))
OR { 652}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 20 and name HB2 ))
ASSI { 1232}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 61 and name HA ))
3.500 1.500 1.500 peak 1232 spectrum 1 weight .10000E+01 volume .11455E-02 ppm1 1.710 ppm2 4.451 CV 1
OR { 1232}
(( segid "A " and resid 75 and name HG2 ))
(( segid "A " and resid 74 and name HA ))
ASSI { 656}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 17 and name HA ))
3.500 1.500 1.500 peak 656 spectrum 1 weight .10000E+01 volume .16090E-02 ppm1 2.288 ppm2 4.146 CV 1
OR { 656}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 17 and name HA ))
OR { 656}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 21 and name HA ))
ASSI { 908}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 79 and name HA ))
2.200 .600 .600 peak 908 spectrum 1 weight .10000E+01 volume .64293E-02 ppm1 1.880 ppm2 4.412 CV 1
OR { 908}
(( segid "A " and resid 74 and name HB2 ))
(( segid "A " and resid 74 and name HA ))
OR { 908}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 74 and name HA ))
ASSI { 260}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 27 and name H ))
3.300 1.400 1.400 peak 260 spectrum 1 weight .10000E+01 volume .12396E-02 ppm1 4.223 ppm2 8.008 CV 1
OR { 260}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 30 and name H ))
ASSI { 516}
(( segid "A " and resid 70 and name HB3 ))
(( segid "A " and resid 11 and name HB2 ))
3.100 1.200 1.200 peak 516 spectrum 1 weight .10000E+01 volume .10178E-02 ppm1 3.067 ppm2 1.555 CV 1
OR { 516}
(( segid "A " and resid 70 and name HB3 ))
( segid "A " and resid 68 and name HB% )
OR { 516}
(( segid "A " and resid 70 and name HB3 ))
(( segid "A " and resid 11 and name HB3 ))
OR { 516}
(( segid "A " and resid 77 and name HB2 ))
(( segid "A " and resid 8 and name HG3 ))
OR { 516}
(( segid "A " and resid 70 and name HB3 ))
(( segid "A " and resid 8 and name HG3 ))
OR { 516}
(( segid "A " and resid 70 and name HB3 ))
(( segid "A " and resid 8 and name HB3 ))
OR { 516}
(( segid "A " and resid 77 and name HB2 ))
(( segid "A " and resid 7 and name HB2 ))
OR { 516}
(( segid "A " and resid 37 and name HB2 ))
(( segid "B " and resid 145 and name HB2 ))
ASSI { 952}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 51 and name H ))
3.000 1.100 1.100 peak 952 spectrum 1 weight .10000E+01 volume .19416E-02 ppm1 4.393 ppm2 7.119 CV 1
OR { 952}
(( segid "A " and resid 79 and name HA ))
( segid "A " and resid 77 and name HD% )
ASSI { 584}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HE3 ))
1.900 .500 .500 peak 584 spectrum 1 weight .10000E+01 volume .20692E-01 ppm1 1.596 ppm2 2.919 CV 1
OR { 584}
(( segid "A " and resid 43 and name HD3 ))
(( segid "A " and resid 43 and name HE2 ))
OR { 584}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HE2 ))
OR { 584}
(( segid "A " and resid 43 and name HD3 ))
(( segid "A " and resid 43 and name HE3 ))
ASSI { 1286}
(( segid "A " and resid 38 and name HA ))
( segid "A " and resid 37 and name HD% )
3.000 3.000 3.000 peak 1286 spectrum 1 weight .10000E+01 volume .90696E-03 ppm1 4.100 ppm2 7.055 CV 1
OR { 1286}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 36 and name HD21))
ASSI { 1558}
(( segid "A " and resid 48 and name HZ3 ))
( segid "A " and resid 59 and name HD% )
3.900 1.900 1.900 peak 1558 spectrum 1 weight .10000E+01 volume .56433E-03 ppm1 6.418 ppm2 7.577 CV 1
OR { 1558}
(( segid "A " and resid 48 and name HZ3 ))
(( segid "A " and resid 48 and name HZ2 ))
ASSI { 163}
(( segid "A " and resid 52 and name HB2 ))
( segid "A " and resid 53 and name HB% )
4.200 2.200 1.800 peak 163 spectrum 1 weight .10000E+01 volume .78603E-03 ppm1 4.355 ppm2 1.443 CV 1
OR { 163}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 54 and name HG2 ))
ASSI { 637}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 17 and name HA ))
3.000 1.100 1.100 peak 637 spectrum 1 weight .10000E+01 volume .13538E-02 ppm1 2.057 ppm2 4.150 CV 1
OR { 637}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 17 and name HA ))
OR { 637}
(( segid "A " and resid 71 and name HB2 ))
(( segid "A " and resid 72 and name HA ))
ASSI { 1053}
( segid "A " and resid 40 and name HE% )
(( segid "A " and resid 23 and name HB3 ))
3.800 1.800 1.800 peak 1053 spectrum 1 weight .10000E+01 volume .73902E-03 ppm1 6.894 ppm2 1.739 CV 1
OR { 1053}
( segid "A " and resid 40 and name HE% )
(( segid "A " and resid 19 and name HB ))
ASSI { 921}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HA ))
2.300 .600 .600 peak 921 spectrum 1 weight .10000E+01 volume .15099E-01 ppm1 2.359 ppm2 4.476 CV 1
OR { 921}
(( segid "A " and resid 5 and name HB2 ))
(( segid "A " and resid 5 and name HA ))
ASSI { 1588}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 77 and name HB3 ))
3.200 1.300 1.300 peak 1588 spectrum 1 weight .10000E+01 volume .19752E-02 ppm1 4.441 ppm2 2.963 CV 1
OR { 1588}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 8 and name HD3 ))
ASSI { 263}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 58 and name HG2 ))
3.700 1.700 1.700 peak 263 spectrum 1 weight .10000E+01 volume .12664E-02 ppm1 1.549 ppm2 .897 CV 1
OR { 263}
( segid "A " and resid 21 and name HG2%)
( segid "B " and resid 145 and name HD1%)
ASSI { 258}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HE2 ))
3.200 1.200 1.200 peak 258 spectrum 1 weight .10000E+01 volume .31576E-02 ppm1 1.990 ppm2 2.990 CV 1
OR { 258}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HE3 ))
OR { 258}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HE3 ))
OR { 258}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HE3 ))
OR { 258}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HE2 ))
OR { 258}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HE2 ))
OR { 258}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 42 and name HE2 ))
OR { 258}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 42 and name HE3 ))
OR { 258}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HE3 ))
OR { 258}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HE2 ))
ASSI { 1414}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name H ))
2.700 .900 .900 peak 1414 spectrum 1 weight .10000E+01 volume .35641E-02 ppm1 3.959 ppm2 8.000 CV 1
OR { 1414}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 30 and name H ))
ASSI { 92}
(( segid "A " and resid 28 and name HD2 ))
(( segid "A " and resid 25 and name H ))
2.800 2.800 3.200 peak 92 spectrum 1 weight .10000E+01 volume .87674E-03 ppm1 1.685 ppm2 8.279 CV 1
OR { 92}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 25 and name H ))
OR { 92}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 26 and name H ))
OR { 92}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 26 and name H ))
OR { 92}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 35 and name H ))
OR { 92}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 35 and name H ))
OR { 92}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 26 and name H ))
OR { 92}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 25 and name H ))
ASSI { 164}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 55 and name HA ))
2.600 .800 .800 peak 164 spectrum 1 weight .10000E+01 volume .65468E-02 ppm1 2.131 ppm2 4.062 CV 1
OR { 164}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 56 and name HA ))
ASSI { 379}
( segid "A " and resid 17 and name HD% )
( segid "A " and resid 17 and name HE% )
3.200 1.300 1.300 peak 379 spectrum 1 weight .10000E+01 volume .93051E-03 ppm1 7.602 ppm2 7.305 CV 1
OR { 379}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 59 and name H ))
ASSI { 839}
( segid "A " and resid 37 and name HD% )
(( segid "A " and resid 41 and name HB2 ))
4.100 2.100 1.900 peak 839 spectrum 1 weight .10000E+01 volume .47027E-03 ppm1 7.083 ppm2 3.760 CV 1
OR { 839}
( segid "A " and resid 37 and name HD% )
(( segid "A " and resid 38 and name HB2 ))
OR { 839}
( segid "A " and resid 37 and name HD% )
(( segid "A " and resid 41 and name HA ))
ASSI { 1033}
( segid "A " and resid 70 and name HE% )
(( segid "A " and resid 74 and name HG2 ))
3.000 1.100 1.100 peak 1033 spectrum 1 weight .10000E+01 volume .25597E-02 ppm1 6.813 ppm2 1.999 CV 1
OR { 1033}
( segid "A " and resid 70 and name HE% )
( segid "A " and resid 74 and name HE% )
OR { 1033}
( segid "A " and resid 70 and name HE% )
(( segid "A " and resid 71 and name HB2 ))
ASSI { 857}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HA ))
2.200 .600 .600 peak 857 spectrum 1 weight .10000E+01 volume .10447E-01 ppm1 2.009 ppm2 4.145 CV 1
OR { 857}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 75 and name HA ))
OR { 857}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HA ))
OR { 857}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HA ))
ASSI { 1006}
(( segid "A " and resid 6 and name HG2 ))
(( segid "A " and resid 6 and name HA ))
2.700 .900 .900 peak 1006 spectrum 1 weight .10000E+01 volume .41385E-02 ppm1 1.421 ppm2 4.280 CV 1
OR { 1006}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 2 and name HA ))
OR { 1006}
(( segid "A " and resid 6 and name HG3 ))
(( segid "A " and resid 6 and name HA ))
ASSI { 1311}
( segid "A " and resid 40 and name HE% )
(( segid "A " and resid 22 and name HB2 ))
4.100 2.100 1.900 peak 1311 spectrum 1 weight .10000E+01 volume .62481E-03 ppm1 6.890 ppm2 2.501 CV 1
OR { 1311}
( segid "A " and resid 40 and name HE% )
(( segid "B " and resid 144 and name HG2 ))
ASSI { 1593}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 80 and name HD2 ))
2.700 .900 .900 peak 1593 spectrum 1 weight .10000E+01 volume .48136E-02 ppm1 1.881 ppm2 3.615 CV 1
OR { 1593}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 79 and name HD2 ))
ASSI { 849}
( segid "A " and resid 59 and name HE% )
(( segid "A " and resid 56 and name HA ))
4.100 2.100 1.900 peak 849 spectrum 1 weight .10000E+01 volume .88345E-03 ppm1 7.725 ppm2 4.148 CV 1
OR { 849}
( segid "A " and resid 59 and name HE% )
(( segid "A " and resid 59 and name HB3 ))
ASSI { 104}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 154 and name HZ ))
3.100 1.200 1.200 peak 104 spectrum 1 weight .10000E+01 volume .28486E-02 ppm1 .818 ppm2 7.110 CV 1
OR { 104}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 18 and name HZ ))
ASSI { 1611}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 21 and name H ))
3.200 1.300 1.300 peak 1611 spectrum 1 weight .10000E+01 volume .28284E-02 ppm1 2.286 ppm2 8.142 CV 1
OR { 1611}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 20 and name H ))
OR { 1611}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 20 and name H ))
OR { 1611}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 21 and name H ))
ASSI { 594}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 40 and name H ))
2.900 1.100 1.100 peak 594 spectrum 1 weight .10000E+01 volume .11589E-02 ppm1 2.983 ppm2 8.573 CV 1
OR { 594}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 41 and name H ))
ASSI { 971}
(( segid "A " and resid 11 and name HD3 ))
(( segid "A " and resid 70 and name HB3 ))
4.000 2.000 2.000 peak 971 spectrum 1 weight .10000E+01 volume .53411E-03 ppm1 1.502 ppm2 3.081 CV 1
OR { 971}
(( segid "A " and resid 11 and name HD3 ))
(( segid "A " and resid 67 and name HE2 ))
ASSI { 707}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HB3 ))
2.800 1.000 1.000 peak 707 spectrum 1 weight .10000E+01 volume .30367E-02 ppm1 3.851 ppm2 1.672 CV 1
OR { 707}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HD3 ))
OR { 707}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 642}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 29 and name HD3 ))
3.700 1.700 1.700 peak 642 spectrum 1 weight .10000E+01 volume .12698E-02 ppm1 2.214 ppm2 1.564 CV 1
OR { 642}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 49 and name HG3 ))
OR { 642}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 28 and name HG3 ))
OR { 642}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 228}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 22 and name HB3 ))
4.300 2.300 1.700 peak 228 spectrum 1 weight .10000E+01 volume .69533E-03 ppm1 1.550 ppm2 2.951 CV 1
OR { 228}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 19 and name HA ))
ASSI { 922}
(( segid "A " and resid 8 and name HB3 ))
( segid "A " and resid 70 and name HD% )
3.900 1.900 1.900 peak 922 spectrum 1 weight .10000E+01 volume .65503E-03 ppm1 1.536 ppm2 7.185 CV 1
OR { 922}
(( segid "A " and resid 11 and name HB2 ))
( segid "A " and resid 70 and name HD% )
OR { 922}
(( segid "A " and resid 11 and name HB3 ))
( segid "A " and resid 70 and name HD% )
ASSI { 1284}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 45 and name H ))
3.100 1.200 1.200 peak 1284 spectrum 1 weight .10000E+01 volume .18475E-02 ppm1 4.070 ppm2 8.405 CV 1
OR { 1284}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 45 and name H ))
OR { 1284}
(( segid "A " and resid 69 and name HA ))
(( segid "A " and resid 71 and name H ))
OR { 1284}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 45 and name H ))
ASSI { 737}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 25 and name H ))
2.800 1.000 1.000 peak 737 spectrum 1 weight .10000E+01 volume .58885E-02 ppm1 2.342 ppm2 8.222 CV 1
OR { 737}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 25 and name H ))
OR { 737}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 26 and name H ))
ASSI { 1333}
(( segid "A " and resid 47 and name HG3 ))
(( segid "A " and resid 47 and name HD3 ))
2.400 .700 .700 peak 1333 spectrum 1 weight .10000E+01 volume .40982E-02 ppm1 1.928 ppm2 3.307 CV 1
OR { 1333}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 31 and name HD2 ))
ASSI { 797}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 71 and name HB2 ))
2.900 1.000 1.000 peak 797 spectrum 1 weight .10000E+01 volume .25597E-02 ppm1 4.291 ppm2 2.057 CV 1
OR { 797}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 64 and name HB3 ))
OR { 797}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 64 and name HB2 ))
OR { 797}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 67 and name HB3 ))
OR { 797}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 69 and name HB2 ))
ASSI { 432}
(( segid "A " and resid 47 and name HA ))
(( segid "A " and resid 47 and name HD3 ))
3.900 1.900 1.900 peak 432 spectrum 1 weight .10000E+01 volume .12429E-02 ppm1 4.172 ppm2 3.348 CV 1
OR { 432}
(( segid "A " and resid 47 and name HA ))
(( segid "A " and resid 48 and name HB3 ))
ASSI { 1013}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 17 and name H ))
3.600 1.600 1.600 peak 1013 spectrum 1 weight .10000E+01 volume .71888E-03 ppm1 3.597 ppm2 8.164 CV 1
OR { 1013}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 20 and name H ))
ASSI { 1064}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 25 and name HG2 ))
2.300 .700 .700 peak 1064 spectrum 1 weight .10000E+01 volume .11767E-01 ppm1 4.069 ppm2 2.336 CV 1
OR { 1064}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 55 and name HG2 ))
OR { 1064}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 46 and name HG2 ))
OR { 1064}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 55 and name HG3 ))
ASSI { 402}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 71 and name HG3 ))
3.300 1.400 1.400 peak 402 spectrum 1 weight .10000E+01 volume .11757E-02 ppm1 7.208 ppm2 2.408 CV 1
OR { 402}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 8 and name HB2 ))
ASSI { 415}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HB3 ))
2.700 .900 .900 peak 415 spectrum 1 weight .10000E+01 volume .40747E-02 ppm1 4.031 ppm2 2.997 CV 1
OR { 415}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 679}
(( segid "A " and resid 81 and name HE2 ))
(( segid "A " and resid 81 and name HG3 ))
2.000 .500 .500 peak 679 spectrum 1 weight .10000E+01 volume .23289E-01 ppm1 3.002 ppm2 1.475 CV 1
OR { 679}
(( segid "A " and resid 64 and name HE3 ))
(( segid "A " and resid 64 and name HG3 ))
OR { 679}
(( segid "A " and resid 6 and name HE2 ))
(( segid "A " and resid 6 and name HG3 ))
OR { 679}
(( segid "A " and resid 6 and name HE3 ))
(( segid "A " and resid 6 and name HG3 ))
OR { 679}
(( segid "A " and resid 81 and name HE2 ))
(( segid "A " and resid 81 and name HG2 ))
OR { 679}
(( segid "A " and resid 64 and name HE2 ))
(( segid "A " and resid 64 and name HG3 ))
OR { 679}
(( segid "A " and resid 81 and name HE3 ))
(( segid "A " and resid 81 and name HG2 ))
OR { 679}
(( segid "A " and resid 81 and name HE3 ))
(( segid "A " and resid 81 and name HG3 ))
ASSI { 1539}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name HB2 ))
2.000 .500 .500 peak 1539 spectrum 1 weight .10000E+01 volume .17320E-01 ppm1 4.067 ppm2 2.151 CV 1
OR { 1539}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 25 and name HB3 ))
OR { 1539}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 46 and name HB3 ))
OR { 1539}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 46 and name HB2 ))
OR { 1539}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 55 and name HB2 ))
ASSI { 631}
(( segid "A " and resid 80 and name HD2 ))
(( segid "A " and resid 79 and name HB2 ))
2.600 .900 .900 peak 631 spectrum 1 weight .10000E+01 volume .46762E-02 ppm1 3.640 ppm2 2.328 CV 1
OR { 631}
(( segid "A " and resid 80 and name HD2 ))
(( segid "A " and resid 80 and name HB2 ))
ASSI { 191}
(( segid "A " and resid 6 and name HG3 ))
(( segid "A " and resid 6 and name HB2 ))
1.900 .400 .400 peak 191 spectrum 1 weight .10000E+01 volume .25174E-01 ppm1 1.411 ppm2 1.875 CV 1
OR { 191}
(( segid "A " and resid 54 and name HG3 ))
(( segid "A " and resid 54 and name HB2 ))
OR { 191}
(( segid "A " and resid 54 and name HG2 ))
(( segid "A " and resid 54 and name HB3 ))
OR { 191}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name HB3 ))
OR { 191}
(( segid "A " and resid 54 and name HG2 ))
(( segid "A " and resid 54 and name HB2 ))
OR { 191}
(( segid "A " and resid 54 and name HG3 ))
(( segid "A " and resid 54 and name HB3 ))
OR { 191}
(( segid "A " and resid 6 and name HG2 ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 315}
(( segid "A " and resid 81 and name HD2 ))
(( segid "A " and resid 82 and name H ))
3.800 1.800 1.800 peak 315 spectrum 1 weight .10000E+01 volume .97080E-03 ppm1 1.687 ppm2 8.405 CV 1
OR { 315}
(( segid "A " and resid 81 and name HD2 ))
(( segid "A " and resid 81 and name H ))
OR { 315}
(( segid "A " and resid 81 and name HD3 ))
(( segid "A " and resid 82 and name H ))
OR { 315}
(( segid "A " and resid 6 and name HD3 ))
(( segid "A " and resid 6 and name H ))
OR { 315}
(( segid "A " and resid 6 and name HD2 ))
(( segid "A " and resid 6 and name H ))
ASSI { 574}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 2 and name HB2 ))
2.200 .600 .600 peak 574 spectrum 1 weight .10000E+01 volume .11428E-01 ppm1 4.275 ppm2 1.836 CV 1
OR { 574}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HB2 ))
OR { 574}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 2 and name HB3 ))
OR { 574}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HB3 ))
ASSI { 405}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 67 and name H ))
3.900 1.900 1.900 peak 405 spectrum 1 weight .10000E+01 volume .16090E-02 ppm1 1.575 ppm2 8.208 CV 1
OR { 405}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 67 and name H ))
ASSI { 82}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name HB3 ))
2.100 .500 .500 peak 82 spectrum 1 weight .10000E+01 volume .14505E-01 ppm1 3.990 ppm2 1.887 CV 1
OR { 82}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 28 and name HB3 ))
OR { 82}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name HB2 ))
ASSI { 1070}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 7 and name HB3 ))
2.500 2.500 3.500 peak 1070 spectrum 1 weight .10000E+01 volume .28015E-02 ppm1 6.736 ppm2 1.643 CV 1
OR { 1070}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 7 and name HD3 ))
OR { 1070}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 7 and name HD2 ))
OR { 1070}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 78 and name HB ))
ASSI { 787}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 75 and name HG3 ))
3.200 1.300 1.300 peak 787 spectrum 1 weight .10000E+01 volume .23111E-02 ppm1 2.141 ppm2 1.557 CV 1
OR { 787}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 27 and name HG3 ))
OR { 787}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 29 and name HD3 ))
OR { 787}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 27 and name HG2 ))
OR { 787}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 28 and name HG3 ))
OR { 787}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 28 and name HG3 ))
OR { 787}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 1417}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HA ))
3.100 1.200 1.200 peak 1417 spectrum 1 weight .10000E+01 volume .15049E-02 ppm1 3.751 ppm2 4.064 CV 1
OR { 1417}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 38 and name HA ))
ASSI { 1037}
(( segid "A " and resid 41 and name HB2 ))
( segid "B " and resid 143 and name HD1%)
3.300 1.400 1.400 peak 1037 spectrum 1 weight .10000E+01 volume .13538E-02 ppm1 3.748 ppm2 .817 CV 1
OR { 1037}
(( segid "A " and resid 41 and name HB2 ))
( segid "A " and resid 19 and name HG1%)
OR { 1037}
(( segid "A " and resid 41 and name HB2 ))
( segid "B " and resid 143 and name HD2%)
ASSI { 811}
(( segid "A " and resid 57 and name HA2 ))
(( segid "A " and resid 57 and name H ))
3.300 1.400 1.400 peak 811 spectrum 1 weight .10000E+01 volume .17333E-02 ppm1 3.869 ppm2 7.862 CV 1
OR { 811}
(( segid "A " and resid 57 and name HA2 ))
(( segid "A " and resid 58 and name H ))
ASSI { 1308}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 29 and name HD3 ))
3.000 1.100 1.100 peak 1308 spectrum 1 weight .10000E+01 volume .43569E-02 ppm1 2.478 ppm2 1.568 CV 1
OR { 1308}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name HG3 ))
OR { 1308}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 27 and name HG3 ))
OR { 1308}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 29 and name HB3 ))
OR { 1308}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 27 and name HG2 ))
OR { 1308}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 28 and name HG3 ))
ASSI { 1525}
(( segid "A " and resid 69 and name HA ))
(( segid "A " and resid 70 and name H ))
3.100 1.200 1.200 peak 1525 spectrum 1 weight .10000E+01 volume .21062E-02 ppm1 4.063 ppm2 8.589 CV 1
OR { 1525}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 40 and name H ))
OR { 1525}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 61 and name H ))
ASSI { 1523}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 20 and name H ))
3.700 1.700 1.700 peak 1523 spectrum 1 weight .10000E+01 volume .63153E-03 ppm1 2.999 ppm2 8.137 CV 1
OR { 1523}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 18 and name H ))
ASSI { 1063}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HG3 ))
2.800 1.000 1.000 peak 1063 spectrum 1 weight .10000E+01 volume .41250E-02 ppm1 4.126 ppm2 1.522 CV 1
OR { 1063}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 67 and name HG3 ))
OR { 1063}
(( segid "A " and resid 64 and name HA ))
( segid "A " and resid 65 and name HB% )
ASSI { 959}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 46 and name H ))
2.400 .700 .700 peak 959 spectrum 1 weight .10000E+01 volume .41250E-02 ppm1 2.125 ppm2 7.988 CV 1
OR { 959}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 47 and name H ))
ASSI { 429}
(( segid "A " and resid 16 and name HA ))
( segid "A " and resid 19 and name HG1%)
3.100 1.200 1.200 peak 429 spectrum 1 weight .10000E+01 volume .19987E-02 ppm1 3.601 ppm2 .836 CV 1
OR { 429}
(( segid "A " and resid 16 and name HA ))
( segid "B " and resid 145 and name HD2%)
ASSI { 1366}
(( segid "A " and resid 80 and name HG3 ))
(( segid "A " and resid 80 and name HD2 ))
2.100 .600 .600 peak 1366 spectrum 1 weight .10000E+01 volume .13578E-01 ppm1 2.029 ppm2 3.637 CV 1
OR { 1366}
(( segid "A " and resid 80 and name HG2 ))
(( segid "A " and resid 80 and name HD2 ))
OR { 1366}
(( segid "A " and resid 79 and name HG3 ))
(( segid "A " and resid 79 and name HD2 ))
ASSI { 996}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 40 and name HB2 ))
3.700 1.700 1.700 peak 996 spectrum 1 weight .10000E+01 volume .97752E-03 ppm1 .533 ppm2 2.749 CV 1
OR { 996}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 36 and name HB2 ))
ASSI { 1205}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name H ))
2.500 .800 .800 peak 1205 spectrum 1 weight .10000E+01 volume .52872E-02 ppm1 4.062 ppm2 7.473 CV 1
OR { 1205}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 28 and name H ))
OR { 1205}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 28 and name H ))
OR { 1205}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 42 and name H ))
ASSI { 560}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 18 and name HB2 ))
3.400 1.500 1.500 peak 560 spectrum 1 weight .10000E+01 volume .27848E-02 ppm1 1.549 ppm2 2.151 CV 1
OR { 560}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 24 and name HB2 ))
ASSI { 545}
(( segid "A " and resid 48 and name HZ3 ))
( segid "A " and resid 51 and name HE% )
3.600 1.600 1.600 peak 545 spectrum 1 weight .10000E+01 volume .64832E-03 ppm1 6.428 ppm2 1.819 CV 1
OR { 545}
(( segid "A " and resid 48 and name HZ3 ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 205}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 69 and name HA ))
3.500 1.500 1.500 peak 205 spectrum 1 weight .10000E+01 volume .12294E-02 ppm1 4.287 ppm2 4.067 CV 1
OR { 205}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 67 and name HA ))
OR { 205}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 67 and name HA ))
ASSI { 332}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name HA ))
2.400 .700 .700 peak 332 spectrum 1 weight .10000E+01 volume .14216E-01 ppm1 1.686 ppm2 4.036 CV 1
OR { 332}
(( segid "A " and resid 28 and name HD2 ))
(( segid "A " and resid 28 and name HA ))
OR { 332}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HA ))
OR { 332}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 46 and name HA ))
OR { 332}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HA ))
OR { 332}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 27 and name HA ))
OR { 332}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 27 and name HA ))
OR { 332}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 24 and name HA ))
ASSI { 31}
(( segid "A " and resid 17 and name HZ ))
(( segid "A " and resid 12 and name HB2 ))
3.400 1.400 1.400 peak 31 spectrum 1 weight .10000E+01 volume .89017E-03 ppm1 7.109 ppm2 1.574 CV 1
OR { 31}
(( segid "A " and resid 37 and name HZ ))
(( segid "B " and resid 145 and name HB2 ))
OR { 31}
(( segid "A " and resid 17 and name HZ ))
( segid "A " and resid 65 and name HB% )
OR { 31}
(( segid "A " and resid 17 and name HZ ))
( segid "A " and resid 21 and name HG2%)
OR { 31}
(( segid "A " and resid 37 and name HZ ))
(( segid "B " and resid 145 and name HG ))
ASSI { 1065}
(( segid "A " and resid 81 and name HB3 ))
(( segid "A " and resid 81 and name H ))
2.900 1.000 1.000 peak 1065 spectrum 1 weight .10000E+01 volume .32617E-02 ppm1 1.783 ppm2 8.408 CV 1
OR { 1065}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name H ))
OR { 1065}
(( segid "A " and resid 6 and name HB3 ))
(( segid "A " and resid 6 and name H ))
OR { 1065}
(( segid "A " and resid 81 and name HB3 ))
(( segid "A " and resid 82 and name H ))
ASSI { 982}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HA ))
2.000 .500 .500 peak 982 spectrum 1 weight .10000E+01 volume .20437E-01 ppm1 1.882 ppm2 4.005 CV 1
OR { 982}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 54 and name HA ))
OR { 982}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HA ))
OR { 982}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 54 and name HA ))
OR { 982}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HA ))
OR { 982}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 24 and name HA ))
ASSI { 760}
(( segid "A " and resid 74 and name HG2 ))
(( segid "A " and resid 74 and name H ))
3.200 1.300 1.300 peak 760 spectrum 1 weight .10000E+01 volume .18744E-02 ppm1 1.984 ppm2 8.423 CV 1
OR { 760}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 74 and name H ))
OR { 760}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 74 and name H ))
ASSI { 1376}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 8 and name HD2 ))
3.200 1.300 1.300 peak 1376 spectrum 1 weight .10000E+01 volume .20625E-02 ppm1 2.364 ppm2 3.305 CV 1
OR { 1376}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HD2 ))
ASSI { 859}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 33 and name H ))
3.900 1.900 1.900 peak 859 spectrum 1 weight .10000E+01 volume .54418E-03 ppm1 2.801 ppm2 7.480 CV 1
OR { 859}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 26 and name HE1 ))
ASSI { 194}
(( segid "A " and resid 80 and name HB2 ))
(( segid "A " and resid 81 and name H ))
3.500 1.600 1.600 peak 194 spectrum 1 weight .10000E+01 volume .14344E-02 ppm1 2.299 ppm2 8.416 CV 1
OR { 194}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 74 and name H ))
ASSI { 1209}
(( segid "A " and resid 38 and name HB3 ))
(( segid "A " and resid 38 and name HA ))
3.300 1.400 1.400 peak 1209 spectrum 1 weight .10000E+01 volume .12429E-02 ppm1 3.677 ppm2 4.064 CV 1
OR { 1209}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 38 and name HA ))
ASSI { 765}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 55 and name H ))
2.600 .900 .900 peak 765 spectrum 1 weight .10000E+01 volume .37488E-02 ppm1 4.056 ppm2 7.686 CV 1
OR { 765}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name H ))
OR { 765}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 55 and name H ))
ASSI { 4}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 18 and name HA ))
3.800 1.800 1.800 peak 4 spectrum 1 weight .10000E+01 volume .77596E-03 ppm1 3.007 ppm2 3.782 CV 1
OR { 4}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 23 and name HA ))
ASSI { 1614}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 36 and name HB3 ))
4.300 2.300 1.700 peak 1614 spectrum 1 weight .10000E+01 volume .13638E-02 ppm1 2.020 ppm2 2.943 CV 1
OR { 1614}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 907}
(( segid "A " and resid 75 and name HD3 ))
(( segid "A " and resid 75 and name H ))
2.900 1.100 1.100 peak 907 spectrum 1 weight .10000E+01 volume .40579E-02 ppm1 1.683 ppm2 7.484 CV 1
OR { 907}
(( segid "A " and resid 28 and name HD2 ))
(( segid "A " and resid 28 and name H ))
OR { 907}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name H ))
ASSI { 1094}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HB2 ))
2.200 .600 .600 peak 1094 spectrum 1 weight .10000E+01 volume .10494E-01 ppm1 1.716 ppm2 2.001 CV 1
OR { 1094}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HB3 ))
OR { 1094}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HB2 ))
OR { 1094}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HB3 ))
ASSI { 1010}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 69 and name HB2 ))
2.800 1.000 1.000 peak 1010 spectrum 1 weight .10000E+01 volume .45317E-02 ppm1 1.570 ppm2 2.042 CV 1
OR { 1010}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 71 and name HB2 ))
OR { 1010}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 69 and name HB2 ))
OR { 1010}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 67 and name HB3 ))
ASSI { 1483}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 28 and name HB3 ))
3.000 1.200 1.200 peak 1483 spectrum 1 weight .10000E+01 volume .36749E-02 ppm1 2.339 ppm2 1.892 CV 1
OR { 1483}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 27 and name HB2 ))
OR { 1483}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 28 and name HB3 ))
OR { 1483}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 27 and name HB3 ))
OR { 1483}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 230}
(( segid "A " and resid 74 and name HG2 ))
( segid "A " and resid 77 and name HD% )
3.700 1.800 1.800 peak 230 spectrum 1 weight .10000E+01 volume .11858E-02 ppm1 1.988 ppm2 7.112 CV 1
OR { 230}
(( segid "A " and resid 75 and name HB3 ))
( segid "A " and resid 77 and name HD% )
OR { 230}
(( segid "A " and resid 75 and name HB2 ))
( segid "A " and resid 77 and name HD% )
ASSI { 373}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 63 and name H ))
3.100 1.200 1.200 peak 373 spectrum 1 weight .10000E+01 volume .18072E-02 ppm1 3.779 ppm2 7.981 CV 1
OR { 373}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 72 and name H ))
ASSI { 1083}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 39 and name HB2 ))
3.700 1.700 1.700 peak 1083 spectrum 1 weight .10000E+01 volume .80622E-03 ppm1 2.781 ppm2 2.036 CV 1
OR { 1083}
(( segid "A " and resid 61 and name HB3 ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 509}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 9 and name H ))
3.500 1.500 1.500 peak 509 spectrum 1 weight .10000E+01 volume .94394E-03 ppm1 1.530 ppm2 8.965 CV 1
OR { 509}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 12 and name H ))
ASSI { 1632}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 80 and name HB3 ))
3.200 1.300 1.300 peak 1632 spectrum 1 weight .10000E+01 volume .31140E-02 ppm1 3.872 ppm2 1.854 CV 1
OR { 1632}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 79 and name HB3 ))
ASSI { 1139}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 21 and name HA ))
2.700 .900 .900 peak 1139 spectrum 1 weight .10000E+01 volume .79880E-02 ppm1 1.549 ppm2 4.127 CV 1
OR { 1139}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 22 and name HA ))
ASSI { 1326}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 28 and name HB3 ))
2.900 2.900 3.100 peak 1326 spectrum 1 weight .10000E+01 volume .31140E-02 ppm1 3.977 ppm2 1.895 CV 1
OR { 1326}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 31 and name HG2 ))
ASSI { 1126}
(( segid "A " and resid 27 and name HE2 ))
( segid "B " and resid 154 and name HD% )
2.900 2.900 3.100 peak 1126 spectrum 1 weight .10000E+01 volume .75581E-03 ppm1 2.942 ppm2 7.138 CV 1
OR { 1126}
(( segid "A " and resid 27 and name HE3 ))
( segid "B " and resid 154 and name HD% )
OR { 1126}
(( segid "A " and resid 49 and name HE2 ))
(( segid "A " and resid 51 and name H ))
OR { 1126}
(( segid "A " and resid 49 and name HE3 ))
(( segid "A " and resid 51 and name H ))
OR { 1126}
(( segid "A " and resid 27 and name HE2 ))
(( segid "B " and resid 154 and name HZ ))
OR { 1126}
(( segid "A " and resid 27 and name HE3 ))
(( segid "B " and resid 154 and name HZ ))
OR { 1126}
(( segid "A " and resid 27 and name HE3 ))
( segid "A " and resid 37 and name HD% )
OR { 1126}
(( segid "A " and resid 27 and name HE2 ))
( segid "A " and resid 37 and name HD% )
OR { 1126}
(( segid "A " and resid 43 and name HE2 ))
(( segid "A " and resid 18 and name HZ ))
OR { 1126}
(( segid "A " and resid 43 and name HE3 ))
(( segid "B " and resid 154 and name HZ ))
OR { 1126}
(( segid "A " and resid 43 and name HE3 ))
(( segid "A " and resid 18 and name HZ ))
OR { 1126}
(( segid "A " and resid 43 and name HE2 ))
(( segid "B " and resid 154 and name HZ ))
OR { 1126}
(( segid "A " and resid 49 and name HE2 ))
(( segid "A " and resid 18 and name HZ ))
OR { 1126}
(( segid "A " and resid 43 and name HE3 ))
( segid "A " and resid 37 and name HD% )
OR { 1126}
(( segid "A " and resid 49 and name HE2 ))
(( segid "A " and resid 48 and name HH2 ))
OR { 1126}
(( segid "A " and resid 43 and name HE2 ))
( segid "A " and resid 37 and name HD% )
ASSI { 266}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HA ))
4.000 2.000 2.000 peak 266 spectrum 1 weight .10000E+01 volume .69533E-03 ppm1 3.146 ppm2 4.130 CV 1
OR { 266}
(( segid "A " and resid 66 and name HB3 ))
(( segid "A " and resid 64 and name HA ))
OR { 266}
(( segid "A " and resid 66 and name HB2 ))
(( segid "A " and resid 64 and name HA ))
ASSI { 1076}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HG2 ))
2.700 .900 .900 peak 1076 spectrum 1 weight .10000E+01 volume .29762E-02 ppm1 3.782 ppm2 2.746 CV 1
OR { 1076}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HD3 ))
ASSI { 640}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 48 and name HH2 ))
4.400 2.400 1.600 peak 640 spectrum 1 weight .10000E+01 volume .48034E-03 ppm1 6.366 ppm2 7.094 CV 1
OR { 640}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 18 and name HZ ))
ASSI { 1475}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 30 and name HB2 ))
4.100 2.100 1.900 peak 1475 spectrum 1 weight .10000E+01 volume .61474E-03 ppm1 4.500 ppm2 2.627 CV 1
OR { 1475}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 32 and name HB2 ))
ASSI { 668}
(( segid "A " and resid 5 and name HD2 ))
(( segid "A " and resid 6 and name HD3 ))
4.000 2.000 2.000 peak 668 spectrum 1 weight .10000E+01 volume .68861E-03 ppm1 3.859 ppm2 1.703 CV 1
OR { 668}
(( segid "A " and resid 5 and name HD2 ))
(( segid "A " and resid 6 and name HD2 ))
OR { 668}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 6 and name HD3 ))
OR { 668}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 6 and name HD2 ))
OR { 668}
(( segid "A " and resid 5 and name HD2 ))
(( segid "A " and resid 7 and name HB3 ))
OR { 668}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 7 and name HB3 ))
ASSI { 412}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name H ))
2.800 1.000 1.000 peak 412 spectrum 1 weight .10000E+01 volume .24153E-02 ppm1 3.779 ppm2 8.447 CV 1
OR { 412}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 74 and name H ))
ASSI { 1278}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 47 and name H ))
3.200 1.300 1.300 peak 1278 spectrum 1 weight .10000E+01 volume .35708E-02 ppm1 2.186 ppm2 7.992 CV 1
OR { 1278}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 46 and name H ))
ASSI { 1496}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HA ))
2.200 .600 .600 peak 1496 spectrum 1 weight .10000E+01 volume .10403E-01 ppm1 1.981 ppm2 4.054 CV 1
OR { 1496}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HA ))
OR { 1496}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 25 and name HA ))
OR { 1496}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 46 and name HA ))
ASSI { 1431}
( segid "A " and resid 21 and name HG2%)
( segid "A " and resid 19 and name HG1%)
3.500 1.500 1.500 peak 1431 spectrum 1 weight .10000E+01 volume .17804E-02 ppm1 1.548 ppm2 .832 CV 1
OR { 1431}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 58 and name HG2 ))
OR { 1431}
( segid "A " and resid 21 and name HG2%)
( segid "B " and resid 145 and name HD1%)
ASSI { 734}
(( segid "A " and resid 42 and name HD2 ))
(( segid "A " and resid 42 and name HA ))
3.200 1.300 1.300 peak 734 spectrum 1 weight .10000E+01 volume .20625E-02 ppm1 1.489 ppm2 4.067 CV 1
OR { 734}
(( segid "A " and resid 42 and name HD3 ))
(( segid "A " and resid 42 and name HA ))
OR { 734}
(( segid "A " and resid 11 and name HD3 ))
(( segid "A " and resid 11 and name HA ))
OR { 734}
(( segid "A " and resid 58 and name HD3 ))
(( segid "A " and resid 58 and name HA ))
OR { 734}
(( segid "A " and resid 58 and name HD2 ))
(( segid "A " and resid 58 and name HA ))
ASSI { 156}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 5 and name HG2 ))
2.000 .500 .500 peak 156 spectrum 1 weight .10000E+01 volume .18126E-01 ppm1 3.862 ppm2 2.040 CV 1
OR { 156}
(( segid "A " and resid 5 and name HD2 ))
(( segid "A " and resid 5 and name HG3 ))
OR { 156}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 80 and name HG2 ))
OR { 156}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 80 and name HG3 ))
OR { 156}
(( segid "A " and resid 5 and name HD2 ))
(( segid "A " and resid 5 and name HG2 ))
OR { 156}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 5 and name HG3 ))
ASSI { 883}
( segid "A " and resid 18 and name HE% )
(( segid "A " and resid 47 and name HB3 ))
4.100 2.100 1.900 peak 883 spectrum 1 weight .10000E+01 volume .47698E-03 ppm1 7.397 ppm2 2.187 CV 1
OR { 883}
( segid "A " and resid 18 and name HE% )
(( segid "A " and resid 47 and name HB2 ))
OR { 883}
( segid "A " and resid 18 and name HE% )
(( segid "A " and resid 55 and name HB3 ))
ASSI { 1352}
(( segid "A " and resid 46 and name HG3 ))
(( segid "A " and resid 46 and name HA ))
2.200 .600 .600 peak 1352 spectrum 1 weight .10000E+01 volume .11394E-01 ppm1 2.467 ppm2 4.060 CV 1
OR { 1352}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 24 and name HA ))
OR { 1352}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 25 and name HA ))
ASSI { 1406}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 48 and name HA ))
3.500 1.600 1.600 peak 1406 spectrum 1 weight .10000E+01 volume .54418E-03 ppm1 1.245 ppm2 4.352 CV 1
OR { 1406}
(( segid "A " and resid 56 and name HE2 ))
(( segid "A " and resid 52 and name HA ))
ASSI { 617}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 44 and name HA ))
3.900 1.900 1.900 peak 617 spectrum 1 weight .10000E+01 volume .10884E-02 ppm1 .286 ppm2 4.103 CV 1
OR { 617}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 45 and name HB3 ))
OR { 617}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 17 and name HA ))
OR { 617}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 22 and name HA ))
ASSI { 61}
(( segid "A " and resid 23 and name HD2 ))
( segid "B " and resid 145 and name HD1%)
3.300 1.400 1.400 peak 61 spectrum 1 weight .10000E+01 volume .91372E-03 ppm1 2.658 ppm2 .811 CV 1
OR { 61}
(( segid "A " and resid 23 and name HD2 ))
( segid "A " and resid 19 and name HG1%)
OR { 61}
(( segid "A " and resid 23 and name HD2 ))
( segid "B " and resid 145 and name HD2%)
ASSI { 878}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name H ))
2.500 .800 .800 peak 878 spectrum 1 weight .10000E+01 volume .53411E-02 ppm1 4.072 ppm2 7.816 CV 1
OR { 878}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name H ))
OR { 878}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 58 and name H ))
OR { 878}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name H ))
ASSI { 159}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HG2 ))
3.200 1.300 1.300 peak 159 spectrum 1 weight .10000E+01 volume .17434E-02 ppm1 3.772 ppm2 2.638 CV 1
OR { 159}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HD2 ))
ASSI { 1014}
( segid "A " and resid 18 and name HD% )
( segid "A " and resid 51 and name HE% )
3.600 1.600 1.600 peak 1014 spectrum 1 weight .10000E+01 volume .83644E-03 ppm1 6.436 ppm2 1.818 CV 1
OR { 1014}
( segid "A " and resid 18 and name HD% )
(( segid "A " and resid 19 and name HB ))
ASSI { 775}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 40 and name HA ))
2.600 .900 .900 peak 775 spectrum 1 weight .10000E+01 volume .24556E-02 ppm1 2.778 ppm2 4.056 CV 1
OR { 775}
(( segid "A " and resid 61 and name HB3 ))
(( segid "A " and resid 58 and name HA ))
ASSI { 1331}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 18 and name HZ ))
3.700 1.700 1.700 peak 1331 spectrum 1 weight .10000E+01 volume .10716E-02 ppm1 .291 ppm2 7.169 CV 1
OR { 1331}
( segid "A " and resid 19 and name HG2%)
(( segid "B " and resid 154 and name HZ ))
OR { 1331}
( segid "A " and resid 19 and name HG2%)
( segid "B " and resid 154 and name HD% )
ASSI { 1630}
(( segid "A " and resid 29 and name HE2 ))
(( segid "A " and resid 29 and name H ))
2.700 .900 .900 peak 1630 spectrum 1 weight .10000E+01 volume .28822E-02 ppm1 2.941 ppm2 7.475 CV 1
OR { 1630}
(( segid "A " and resid 29 and name HE3 ))
(( segid "A " and resid 29 and name H ))
OR { 1630}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name H ))
OR { 1630}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name H ))
ASSI { 941}
(( segid "A " and resid 77 and name HB2 ))
( segid "A " and resid 78 and name HD1%)
4.200 2.300 1.800 peak 941 spectrum 1 weight .10000E+01 volume .82973E-03 ppm1 3.068 ppm2 .823 CV 1
OR { 941}
(( segid "A " and resid 77 and name HB2 ))
( segid "A " and resid 78 and name HG2%)
OR { 941}
(( segid "A " and resid 37 and name HB2 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 1003}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 21 and name H ))
2.900 1.100 1.100 peak 1003 spectrum 1 weight .10000E+01 volume .19450E-02 ppm1 4.135 ppm2 8.160 CV 1
OR { 1003}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 24 and name H ))
ASSI { 531}
(( segid "A " and resid 46 and name HG3 ))
(( segid "A " and resid 46 and name H ))
2.500 .800 .800 peak 531 spectrum 1 weight .10000E+01 volume .49717E-02 ppm1 2.462 ppm2 7.991 CV 1
OR { 531}
(( segid "A " and resid 46 and name HG3 ))
(( segid "A " and resid 47 and name H ))
ASSI { 253}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 65 and name H ))
2.200 .600 .600 peak 253 spectrum 1 weight .10000E+01 volume .11579E-01 ppm1 1.540 ppm2 7.927 CV 1
OR { 253}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 69 and name H ))
ASSI { 762}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name H ))
2.600 .800 .800 peak 762 spectrum 1 weight .10000E+01 volume .45414E-02 ppm1 4.050 ppm2 8.239 CV 1
OR { 762}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 25 and name H ))
OR { 762}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 26 and name H ))
ASSI { 994}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 29 and name HG2 ))
3.300 1.400 1.400 peak 994 spectrum 1 weight .10000E+01 volume .19047E-02 ppm1 2.335 ppm2 1.356 CV 1
OR { 994}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 28 and name HG2 ))
OR { 994}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 29 and name HB2 ))
OR { 994}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 28 and name HG2 ))
OR { 994}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 43 and name HG2 ))
ASSI { 819}
(( segid "A " and resid 47 and name HB3 ))
( segid "A " and resid 18 and name HE% )
3.700 1.700 1.700 peak 819 spectrum 1 weight .10000E+01 volume .76589E-03 ppm1 2.228 ppm2 7.396 CV 1
OR { 819}
(( segid "A " and resid 47 and name HB3 ))
(( segid "A " and resid 50 and name H ))
ASSI { 1138}
(( segid "A " and resid 73 and name HB2 ))
(( segid "A " and resid 74 and name H ))
3.700 1.700 1.700 peak 1138 spectrum 1 weight .10000E+01 volume .11556E-02 ppm1 2.027 ppm2 8.406 CV 1
OR { 1138}
(( segid "A " and resid 5 and name HG3 ))
(( segid "A " and resid 6 and name H ))
OR { 1138}
(( segid "A " and resid 5 and name HG2 ))
(( segid "A " and resid 6 and name H ))
ASSI { 231}
( segid "A " and resid 76 and name HG2%)
(( segid "A " and resid 77 and name H ))
3.500 1.600 1.600 peak 231 spectrum 1 weight .10000E+01 volume .22137E-02 ppm1 1.205 ppm2 7.518 CV 1
OR { 231}
( segid "A " and resid 76 and name HG2%)
(( segid "A " and resid 75 and name H ))
ASSI { 1016}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 40 and name HB3 ))
3.000 1.100 1.100 peak 1016 spectrum 1 weight .10000E+01 volume .27343E-02 ppm1 .350 ppm2 2.975 CV 1
OR { 1016}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 36 and name HB3 ))
ASSI { 1206}
(( segid "A " and resid 72 and name HB3 ))
(( segid "A " and resid 73 and name H ))
2.900 1.000 1.000 peak 1206 spectrum 1 weight .10000E+01 volume .27243E-02 ppm1 2.014 ppm2 8.482 CV 1
OR { 1206}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 73 and name H ))
OR { 1206}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 71 and name H ))
ASSI { 855}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 56 and name HD2 ))
4.900 3.000 1.100 peak 855 spectrum 1 weight .10000E+01 volume .53747E-03 ppm1 2.359 ppm2 .845 CV 1
OR { 855}
(( segid "A " and resid 55 and name HG3 ))
(( segid "A " and resid 56 and name HD2 ))
OR { 855}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 58 and name HG2 ))
OR { 855}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 58 and name HG3 ))
OR { 855}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 56 and name HD3 ))
OR { 855}
(( segid "A " and resid 55 and name HG3 ))
(( segid "A " and resid 56 and name HD3 ))
ASSI { 1121}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 20 and name HE22))
3.400 1.400 1.400 peak 1121 spectrum 1 weight .10000E+01 volume .10984E-02 ppm1 1.187 ppm2 7.610 CV 1
OR { 1121}
( segid "A " and resid 12 and name HE% )
( segid "A " and resid 17 and name HD% )
ASSI { 1490}
(( segid "A " and resid 72 and name HD2 ))
(( segid "A " and resid 72 and name HA ))
3.600 1.600 1.600 peak 1490 spectrum 1 weight .10000E+01 volume .14041E-02 ppm1 3.282 ppm2 4.105 CV 1
OR { 1490}
(( segid "A " and resid 72 and name HD3 ))
(( segid "A " and resid 72 and name HA ))
OR { 1490}
(( segid "A " and resid 72 and name HD3 ))
(( segid "A " and resid 69 and name HA ))
ASSI { 790}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 46 and name H ))
2.700 .900 .900 peak 790 spectrum 1 weight .10000E+01 volume .38362E-02 ppm1 4.073 ppm2 8.004 CV 1
OR { 790}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 47 and name H ))
OR { 790}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 27 and name H ))
ASSI { 779}
(( segid "A " and resid 47 and name HA ))
( segid "A " and resid 50 and name HG2%)
3.700 1.700 1.700 peak 779 spectrum 1 weight .10000E+01 volume .10246E-02 ppm1 4.173 ppm2 1.239 CV 1
OR { 779}
(( segid "A " and resid 75 and name HA ))
( segid "A " and resid 76 and name HG2%)
ASSI { 834}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 23 and name HB3 ))
3.700 1.700 1.700 peak 834 spectrum 1 weight .10000E+01 volume .94058E-03 ppm1 2.286 ppm2 1.712 CV 1
OR { 834}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 23 and name HB3 ))
OR { 834}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 19 and name HB ))
OR { 834}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 19 and name HB ))
ASSI { 820}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 18 and name HA ))
2.300 2.300 3.700 peak 820 spectrum 1 weight .10000E+01 volume .26806E-02 ppm1 1.916 ppm2 3.772 CV 1
OR { 820}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 62 and name HA ))
ASSI { 1294}
( segid "A " and resid 16 and name HB% )
(( segid "A " and resid 17 and name H ))
2.800 1.000 1.000 peak 1294 spectrum 1 weight .10000E+01 volume .32718E-02 ppm1 1.318 ppm2 8.176 CV 1
OR { 1294}
( segid "A " and resid 16 and name HB% )
(( segid "A " and resid 13 and name H ))
ASSI { 1200}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 144 and name HB3 ))
3.400 1.500 1.500 peak 1200 spectrum 1 weight .10000E+01 volume .10581E-02 ppm1 .817 ppm2 2.059 CV 1
OR { 1200}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 144 and name HB2 ))
OR { 1200}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 20 and name HB3 ))
OR { 1200}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 20 and name HB2 ))
ASSI { 920}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 7 and name HG3 ))
4.000 2.000 2.000 peak 920 spectrum 1 weight .10000E+01 volume .74238E-03 ppm1 7.084 ppm2 1.021 CV 1
OR { 920}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 78 and name HG13))
ASSI { 1152}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name H ))
2.800 1.000 1.000 peak 1152 spectrum 1 weight .10000E+01 volume .21264E-02 ppm1 3.876 ppm2 8.144 CV 1
OR { 1152}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 21 and name H ))
ASSI { 1531}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 23 and name HG2 ))
4.400 2.400 1.600 peak 1531 spectrum 1 weight .10000E+01 volume .38295E-03 ppm1 2.250 ppm2 1.361 CV 1
OR { 1531}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 28 and name HG2 ))
ASSI { 890}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 55 and name H ))
3.000 1.100 1.100 peak 890 spectrum 1 weight .10000E+01 volume .11522E-02 ppm1 2.130 ppm2 7.673 CV 1
OR { 890}
(( segid "A " and resid 55 and name HB2 ))
( segid "A " and resid 59 and name HE% )
ASSI { 1426}
(( segid "A " and resid 46 and name HG2 ))
(( segid "A " and resid 46 and name H ))
2.800 1.000 1.000 peak 1426 spectrum 1 weight .10000E+01 volume .46594E-02 ppm1 2.334 ppm2 7.992 CV 1
OR { 1426}
(( segid "A " and resid 46 and name HG2 ))
(( segid "A " and resid 47 and name H ))
ASSI { 488}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 27 and name HA ))
3.100 1.200 1.200 peak 488 spectrum 1 weight .10000E+01 volume .15251E-02 ppm1 4.503 ppm2 3.972 CV 1
OR { 488}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 28 and name HA ))
ASSI { 1}
( segid "A " and resid 40 and name HD% )
(( segid "A " and resid 40 and name HB3 ))
2.900 1.000 1.000 peak 1 spectrum 1 weight .10000E+01 volume .20491E-02 ppm1 6.892 ppm2 2.976 CV 1
OR { 1}
( segid "A " and resid 40 and name HE% )
(( segid "A " and resid 19 and name HA ))
OR { 1}
( segid "A " and resid 40 and name HE% )
(( segid "A " and resid 40 and name HB3 ))
ASSI { 425}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HG2 ))
2.300 .600 .600 peak 425 spectrum 1 weight .10000E+01 volume .87068E-02 ppm1 1.773 ppm2 1.981 CV 1
OR { 425}
(( segid "A " and resid 9 and name HB3 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 425}
(( segid "A " and resid 67 and name HD2 ))
(( segid "A " and resid 67 and name HB3 ))
ASSI { 190}
( segid "A " and resid 37 and name HD% )
( segid "B " and resid 145 and name HD1%)
3.300 3.300 2.700 peak 190 spectrum 1 weight .10000E+01 volume .18845E-02 ppm1 7.079 ppm2 .832 CV 1
OR { 190}
( segid "A " and resid 37 and name HD% )
( segid "B " and resid 150 and name HG2%)
OR { 190}
( segid "A " and resid 37 and name HD% )
( segid "B " and resid 145 and name HD2%)
ASSI { 12}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 56 and name HB3 ))
2.200 .600 .600 peak 12 spectrum 1 weight .10000E+01 volume .82500E-02 ppm1 4.119 ppm2 1.748 CV 1
OR { 12}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name HG2 ))
ASSI { 1425}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 59 and name HB3 ))
3.000 1.100 1.100 peak 1425 spectrum 1 weight .10000E+01 volume .13538E-02 ppm1 7.607 ppm2 4.139 CV 1
OR { 1425}
( segid "A " and resid 17 and name HD% )
(( segid "A " and resid 17 and name HA ))
OR { 1425}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 56 and name HA ))
ASSI { 403}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 144 and name HG2 ))
3.900 1.900 1.900 peak 403 spectrum 1 weight .10000E+01 volume .60467E-03 ppm1 .820 ppm2 2.617 CV 1
OR { 403}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 44 and name HB3 ))
ASSI { 497}
(( segid "A " and resid 43 and name HG3 ))
(( segid "A " and resid 40 and name HA ))
2.400 .700 .700 peak 497 spectrum 1 weight .10000E+01 volume .95503E-02 ppm1 1.526 ppm2 4.068 CV 1
OR { 497}
(( segid "A " and resid 43 and name HG3 ))
(( segid "A " and resid 43 and name HA ))
OR { 497}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 24 and name HA ))
ASSI { 691}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 22 and name HB3 ))
3.600 1.600 1.600 peak 691 spectrum 1 weight .10000E+01 volume .62146E-03 ppm1 6.812 ppm2 2.935 CV 1
OR { 691}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 639}
(( segid "A " and resid 5 and name HG3 ))
(( segid "A " and resid 6 and name H ))
3.300 1.400 1.400 peak 639 spectrum 1 weight .10000E+01 volume .15889E-02 ppm1 2.047 ppm2 8.377 CV 1
OR { 639}
(( segid "A " and resid 5 and name HG2 ))
(( segid "A " and resid 6 and name H ))
OR { 639}
(( segid "A " and resid 69 and name HB2 ))
(( segid "A " and resid 71 and name H ))
ASSI { 1549}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 22 and name H ))
4.100 2.100 1.900 peak 1549 spectrum 1 weight .10000E+01 volume .49046E-03 ppm1 .816 ppm2 8.364 CV 1
OR { 1549}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 45 and name H ))
ASSI { 981}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 68 and name HA ))
2.100 .500 .500 peak 981 spectrum 1 weight .10000E+01 volume .16201E-01 ppm1 1.539 ppm2 4.315 CV 1
OR { 981}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 65 and name HA ))
ASSI { 873}
( segid "A " and resid 37 and name HE% )
( segid "B " and resid 150 and name HG2%)
3.300 1.400 1.400 peak 873 spectrum 1 weight .10000E+01 volume .18207E-02 ppm1 6.999 ppm2 .840 CV 1
OR { 873}
( segid "A " and resid 37 and name HE% )
( segid "B " and resid 145 and name HD1%)
OR { 873}
( segid "A " and resid 37 and name HE% )
( segid "B " and resid 145 and name HD2%)
ASSI { 1300}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 42 and name HB3 ))
3.900 1.900 1.900 peak 1300 spectrum 1 weight .10000E+01 volume .95065E-03 ppm1 3.673 ppm2 1.900 CV 1
OR { 1300}
(( segid "A " and resid 38 and name HB3 ))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 479}
(( segid "A " and resid 50 and name HA ))
( segid "A " and resid 50 and name HG2%)
2.200 .600 .600 peak 479 spectrum 1 weight .10000E+01 volume .15274E-01 ppm1 4.394 ppm2 1.236 CV 1
OR { 479}
(( segid "A " and resid 76 and name HA ))
( segid "A " and resid 76 and name HG2%)
ASSI { 150}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 26 and name HB2 ))
3.800 1.800 1.800 peak 150 spectrum 1 weight .10000E+01 volume .44676E-03 ppm1 .537 ppm2 3.129 CV 1
OR { 150}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 37 and name HB2 ))
ASSI { 1428}
( segid "A " and resid 16 and name HB% )
(( segid "A " and resid 17 and name HA ))
3.500 1.500 1.500 peak 1428 spectrum 1 weight .10000E+01 volume .93051E-03 ppm1 1.335 ppm2 4.105 CV 1
OR { 1428}
( segid "A " and resid 16 and name HB% )
(( segid "A " and resid 13 and name HB2 ))
ASSI { 1034}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 55 and name HA ))
2.800 1.000 1.000 peak 1034 spectrum 1 weight .10000E+01 volume .43669E-02 ppm1 2.375 ppm2 4.085 CV 1
OR { 1034}
(( segid "A " and resid 55 and name HG3 ))
(( segid "A " and resid 55 and name HA ))
OR { 1034}
(( segid "A " and resid 55 and name HG2 ))
(( segid "A " and resid 52 and name HB3 ))
OR { 1034}
(( segid "A " and resid 55 and name HG3 ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 669}
(( segid "A " and resid 49 and name HB3 ))
( segid "A " and resid 50 and name HG2%)
2.700 .900 .900 peak 669 spectrum 1 weight .10000E+01 volume .38429E-02 ppm1 1.981 ppm2 1.244 CV 1
OR { 669}
(( segid "A " and resid 75 and name HB3 ))
( segid "A " and resid 76 and name HG2%)
OR { 669}
(( segid "A " and resid 75 and name HB2 ))
( segid "A " and resid 76 and name HG2%)
OR { 669}
(( segid "A " and resid 49 and name HB2 ))
( segid "A " and resid 50 and name HG2%)
ASSI { 1493}
(( segid "A " and resid 76 and name HA ))
( segid "A " and resid 78 and name HD1%)
3.500 1.600 1.600 peak 1493 spectrum 1 weight .10000E+01 volume .81294E-03 ppm1 4.405 ppm2 .795 CV 1
OR { 1493}
(( segid "A " and resid 79 and name HA ))
( segid "A " and resid 78 and name HG2%)
ASSI { 868}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 74 and name HG2 ))
3.400 1.500 1.500 peak 868 spectrum 1 weight .10000E+01 volume .10414E-02 ppm1 7.207 ppm2 1.997 CV 1
OR { 868}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 73 and name HB2 ))
OR { 868}
( segid "A " and resid 70 and name HD% )
( segid "A " and resid 74 and name HE% )
ASSI { 530}
(( segid "A " and resid 79 and name HB2 ))
(( segid "A " and resid 80 and name HD2 ))
2.600 .900 .900 peak 530 spectrum 1 weight .10000E+01 volume .43031E-02 ppm1 2.340 ppm2 3.619 CV 1
OR { 530}
(( segid "A " and resid 79 and name HB2 ))
(( segid "A " and resid 79 and name HD2 ))
ASSI { 1067}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 25 and name H ))
2.600 .900 .900 peak 1067 spectrum 1 weight .10000E+01 volume .39403E-02 ppm1 2.216 ppm2 8.253 CV 1
OR { 1067}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 26 and name H ))
ASSI { 299}
(( segid "A " and resid 48 and name HH2 ))
(( segid "A " and resid 56 and name HA ))
3.300 1.300 1.300 peak 299 spectrum 1 weight .10000E+01 volume .11959E-02 ppm1 7.096 ppm2 4.137 CV 1
OR { 299}
(( segid "A " and resid 48 and name HH2 ))
(( segid "A " and resid 59 and name HB3 ))
OR { 299}
(( segid "A " and resid 48 and name HH2 ))
(( segid "A " and resid 14 and name HB2 ))
ASSI { 551}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB2 ))
2.900 1.100 1.100 peak 551 spectrum 1 weight .10000E+01 volume .37589E-02 ppm1 3.777 ppm2 2.020 CV 1
OR { 551}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 74 and name HG2 ))
ASSI { 1167}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 27 and name HA ))
3.600 1.600 1.600 peak 1167 spectrum 1 weight .10000E+01 volume .12093E-02 ppm1 4.221 ppm2 4.008 CV 1
OR { 1167}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 25 and name HA ))
OR { 1167}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 29 and name HA ))
ASSI { 308}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 48 and name HZ2 ))
3.100 3.100 2.900 peak 308 spectrum 1 weight .10000E+01 volume .52739E-03 ppm1 1.939 ppm2 7.616 CV 1
OR { 308}
(( segid "A " and resid 56 and name HE3 ))
(( segid "A " and resid 55 and name H ))
ASSI { 1290}
(( segid "A " and resid 23 and name HA ))
( segid "A " and resid 19 and name HG1%)
4.400 2.400 1.600 peak 1290 spectrum 1 weight .10000E+01 volume .55761E-03 ppm1 3.750 ppm2 .831 CV 1
OR { 1290}
(( segid "A " and resid 23 and name HA ))
( segid "B " and resid 145 and name HD1%)
ASSI { 1134}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 65 and name H ))
2.700 .900 .900 peak 1134 spectrum 1 weight .10000E+01 volume .35506E-02 ppm1 4.316 ppm2 7.932 CV 1
OR { 1134}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 69 and name H ))
ASSI { 621}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 70 and name HB3 ))
3.700 1.700 1.700 peak 621 spectrum 1 weight .10000E+01 volume .89353E-03 ppm1 1.518 ppm2 3.119 CV 1
OR { 621}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 70 and name HB3 ))
OR { 621}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 66 and name HB3 ))
OR { 621}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 66 and name HB2 ))
OR { 621}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 66 and name HB3 ))
OR { 621}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 9 and name HD2 ))
OR { 621}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 70 and name HB3 ))
ASSI { 1253}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 65 and name H ))
3.600 1.600 1.600 peak 1253 spectrum 1 weight .10000E+01 volume .10783E-02 ppm1 1.716 ppm2 7.955 CV 1
OR { 1253}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 63 and name H ))
ASSI { 850}
(( segid "A " and resid 58 and name HE2 ))
( segid "A " and resid 59 and name HD% )
3.600 1.700 1.700 peak 850 spectrum 1 weight .10000E+01 volume .11455E-02 ppm1 2.793 ppm2 7.643 CV 1
OR { 850}
(( segid "A " and resid 11 and name HE2 ))
(( segid "A " and resid 11 and name H ))
ASSI { 1021}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 40 and name H ))
3.600 1.600 1.600 peak 1021 spectrum 1 weight .10000E+01 volume .11824E-02 ppm1 .352 ppm2 8.571 CV 1
OR { 1021}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 41 and name H ))
ASSI { 1254}
( segid "A " and resid 19 and name HG1%)
( segid "A " and resid 16 and name HB% )
3.500 1.500 1.500 peak 1254 spectrum 1 weight .10000E+01 volume .13369E-02 ppm1 .823 ppm2 1.301 CV 1
OR { 1254}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 23 and name HG3 ))
ASSI { 1309}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
3.000 1.100 1.100 peak 1309 spectrum 1 weight .10000E+01 volume .24018E-02 ppm1 3.773 ppm2 1.920 CV 1
OR { 1309}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
OR { 1309}
(( segid "A " and resid 62 and name HA ))
( segid "A " and resid 62 and name HE% )
ASSI { 801}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 62 and name HG3 ))
2.600 2.600 3.400 peak 801 spectrum 1 weight .10000E+01 volume .13806E-02 ppm1 1.782 ppm2 2.239 CV 1
OR { 801}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 60 and name HB3 ))
ASSI { 577}
(( segid "A " and resid 37 and name HB2 ))
( segid "A " and resid 37 and name HD% )
2.600 .800 .800 peak 577 spectrum 1 weight .10000E+01 volume .37959E-02 ppm1 3.071 ppm2 7.072 CV 1
OR { 577}
(( segid "A " and resid 77 and name HB2 ))
( segid "A " and resid 77 and name HD% )
ASSI { 1158}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 26 and name HE1 ))
3.200 3.200 2.800 peak 1158 spectrum 1 weight .10000E+01 volume .88010E-03 ppm1 .353 ppm2 7.478 CV 1
OR { 1158}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 42 and name H ))
ASSI { 763}
(( segid "A " and resid 20 and name HA ))
( segid "B " and resid 145 and name HD1%)
3.000 1.100 1.100 peak 763 spectrum 1 weight .10000E+01 volume .13672E-02 ppm1 3.870 ppm2 .825 CV 1
OR { 763}
(( segid "A " and resid 20 and name HA ))
( segid "A " and resid 19 and name HG1%)
ASSI { 900}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HE2 ))
2.600 .800 .800 peak 900 spectrum 1 weight .10000E+01 volume .54215E-02 ppm1 1.693 ppm2 3.003 CV 1
OR { 900}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HE3 ))
OR { 900}
(( segid "A " and resid 75 and name HG2 ))
(( segid "A " and resid 75 and name HE3 ))
OR { 900}
(( segid "A " and resid 75 and name HG2 ))
(( segid "A " and resid 75 and name HE2 ))
ASSI { 280}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 29 and name HE3 ))
4.000 2.000 2.000 peak 280 spectrum 1 weight .10000E+01 volume .82301E-03 ppm1 2.207 ppm2 2.943 CV 1
OR { 280}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 29 and name HE2 ))
OR { 280}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 49 and name HE3 ))
OR { 280}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 28 and name HE2 ))
OR { 280}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 28 and name HE3 ))
ASSI { 256}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 40 and name H ))
4.100 2.200 1.900 peak 256 spectrum 1 weight .10000E+01 volume .80282E-03 ppm1 2.325 ppm2 8.592 CV 1
OR { 256}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 38 and name H ))
ASSI { 976}
(( segid "A " and resid 80 and name HG2 ))
(( segid "A " and resid 80 and name HA ))
2.900 1.100 1.100 peak 976 spectrum 1 weight .10000E+01 volume .75917E-02 ppm1 2.041 ppm2 4.418 CV 1
OR { 976}
(( segid "A " and resid 5 and name HG2 ))
(( segid "A " and resid 5 and name HA ))
OR { 976}
(( segid "A " and resid 80 and name HG3 ))
(( segid "A " and resid 80 and name HA ))
OR { 976}
(( segid "A " and resid 5 and name HG3 ))
(( segid "A " and resid 5 and name HA ))
OR { 976}
(( segid "A " and resid 80 and name HG2 ))
(( segid "A " and resid 79 and name HA ))
OR { 976}
(( segid "A " and resid 80 and name HG3 ))
(( segid "A " and resid 79 and name HA ))
ASSI { 1085}
(( segid "A " and resid 15 and name HA ))
( segid "A " and resid 18 and name HD% )
4.100 2.100 1.900 peak 1085 spectrum 1 weight .10000E+01 volume .60803E-03 ppm1 2.877 ppm2 6.397 CV 1
OR { 1085}
(( segid "A " and resid 15 and name HA ))
( segid "A " and resid 15 and name HE% )
ASSI { 1485}
(( segid "A " and resid 58 and name HE2 ))
(( segid "A " and resid 58 and name HG2 ))
2.300 .700 .700 peak 1485 spectrum 1 weight .10000E+01 volume .10665E-01 ppm1 2.794 ppm2 .844 CV 1
OR { 1485}
(( segid "A " and resid 58 and name HE2 ))
(( segid "A " and resid 58 and name HG3 ))
OR { 1485}
(( segid "A " and resid 11 and name HE2 ))
(( segid "A " and resid 11 and name HG2 ))
ASSI { 1213}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 24 and name H ))
3.800 1.800 1.800 peak 1213 spectrum 1 weight .10000E+01 volume .45012E-03 ppm1 2.740 ppm2 8.175 CV 1
OR { 1213}
(( segid "A " and resid 23 and name HD3 ))
(( segid "A " and resid 26 and name H ))
ASSI { 114}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name HE2 ))
2.300 .600 .600 peak 114 spectrum 1 weight .10000E+01 volume .11418E-01 ppm1 1.408 ppm2 2.955 CV 1
OR { 114}
(( segid "A " and resid 54 and name HG2 ))
(( segid "A " and resid 54 and name HE2 ))
OR { 114}
(( segid "A " and resid 54 and name HG3 ))
(( segid "A " and resid 54 and name HE2 ))
OR { 114}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name HE3 ))
OR { 114}
(( segid "A " and resid 54 and name HG2 ))
(( segid "A " and resid 54 and name HE3 ))
OR { 114}
(( segid "A " and resid 54 and name HG3 ))
(( segid "A " and resid 54 and name HE3 ))
OR { 114}
(( segid "A " and resid 43 and name HG2 ))
(( segid "A " and resid 43 and name HE2 ))
ASSI { 822}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 40 and name HB3 ))
3.600 1.700 1.700 peak 822 spectrum 1 weight .10000E+01 volume .10951E-02 ppm1 .534 ppm2 2.961 CV 1
OR { 822}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 36 and name HB3 ))
OR { 822}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 37 and name HB3 ))
ASSI { 1048}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 143 and name HB3 ))
4.100 2.100 1.900 peak 1048 spectrum 1 weight .10000E+01 volume .58112E-03 ppm1 5.801 ppm2 1.608 CV 1
OR { 1048}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 143 and name HG ))
OR { 1048}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 145 and name HG ))
OR { 1048}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 12 and name HB2 ))
OR { 1048}
( segid "A " and resid 15 and name HD% )
( segid "A " and resid 21 and name HG2%)
OR { 1048}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 145 and name HB2 ))
ASSI { 264}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 82 and name H ))
2.700 .900 .900 peak 264 spectrum 1 weight .10000E+01 volume .24287E-02 ppm1 4.275 ppm2 8.422 CV 1
OR { 264}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name H ))
ASSI { 542}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 25 and name HA ))
2.200 .600 .600 peak 542 spectrum 1 weight .10000E+01 volume .17441E-01 ppm1 2.334 ppm2 4.056 CV 1
OR { 542}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 24 and name HA ))
OR { 542}
(( segid "A " and resid 46 and name HG2 ))
(( segid "A " and resid 46 and name HA ))
OR { 542}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 39 and name HA ))
ASSI { 1159}
(( segid "A " and resid 22 and name HA ))
( segid "A " and resid 21 and name HG2%)
3.600 1.600 1.600 peak 1159 spectrum 1 weight .10000E+01 volume .11455E-02 ppm1 4.139 ppm2 1.551 CV 1
OR { 1159}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 12 and name HB2 ))
OR { 1159}
(( segid "A " and resid 17 and name HA ))
( segid "A " and resid 21 and name HG2%)
ASSI { 246}
( segid "A " and resid 40 and name HD% )
(( segid "A " and resid 41 and name H ))
3.500 1.500 1.500 peak 246 spectrum 1 weight .10000E+01 volume .13168E-02 ppm1 6.894 ppm2 8.588 CV 1
OR { 246}
( segid "A " and resid 40 and name HD% )
(( segid "A " and resid 40 and name H ))
ASSI { 86}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 17 and name HZ ))
2.800 2.800 3.200 peak 86 spectrum 1 weight .10000E+01 volume .90360E-03 ppm1 1.916 ppm2 7.110 CV 1
OR { 86}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 48 and name HH2 ))
ASSI { 1562}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 61 and name HB3 ))
3.200 1.300 1.300 peak 1562 spectrum 1 weight .10000E+01 volume .29158E-02 ppm1 4.069 ppm2 2.782 CV 1
OR { 1562}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 36 and name HB2 ))
OR { 1562}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HE2 ))
ASSI { 828}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HE2 ))
2.900 1.100 1.100 peak 828 spectrum 1 weight .10000E+01 volume .44844E-02 ppm1 4.062 ppm2 2.945 CV 1
OR { 828}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 28 and name HE2 ))
OR { 828}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HE3 ))
OR { 828}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 28 and name HE3 ))
OR { 828}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 49 and name HE3 ))
OR { 828}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HE3 ))
OR { 828}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HE2 ))
ASSI { 1434}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB3 ))
2.700 .900 .900 peak 1434 spectrum 1 weight .10000E+01 volume .32214E-02 ppm1 3.777 ppm2 2.207 CV 1
OR { 1434}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HG3 ))
ASSI { 647}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 20 and name H ))
3.200 1.300 1.300 peak 647 spectrum 1 weight .10000E+01 volume .14545E-02 ppm1 .816 ppm2 8.130 CV 1
OR { 647}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 21 and name H ))
OR { 647}
( segid "A " and resid 19 and name HG1%)
(( segid "B " and resid 144 and name H ))
ASSI { 783}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 41 and name H ))
3.700 1.700 1.700 peak 783 spectrum 1 weight .10000E+01 volume .60803E-03 ppm1 4.100 ppm2 8.580 CV 1
OR { 783}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 40 and name H ))
ASSI { 105}
( segid "A " and resid 16 and name HB% )
( segid "B " and resid 154 and name HD% )
4.000 2.000 2.000 peak 105 spectrum 1 weight .10000E+01 volume .81630E-03 ppm1 1.317 ppm2 7.128 CV 1
OR { 105}
( segid "A " and resid 16 and name HB% )
(( segid "A " and resid 17 and name HZ ))
OR { 105}
( segid "A " and resid 16 and name HB% )
(( segid "B " and resid 154 and name HZ ))
OR { 105}
( segid "A " and resid 16 and name HB% )
(( segid "A " and resid 48 and name HH2 ))
ASSI { 515}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 41 and name HA ))
3.600 1.600 1.600 peak 515 spectrum 1 weight .10000E+01 volume .11119E-02 ppm1 .817 ppm2 3.732 CV 1
OR { 515}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 23 and name HA ))
OR { 515}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 41 and name HB2 ))
OR { 515}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 18 and name HA ))
ASSI { 1416}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 44 and name HA ))
3.300 1.400 1.400 peak 1416 spectrum 1 weight .10000E+01 volume .18979E-02 ppm1 3.206 ppm2 4.148 CV 1
OR { 1416}
(( segid "A " and resid 47 and name HD2 ))
(( segid "A " and resid 47 and name HA ))
ASSI { 1242}
(( segid "A " and resid 47 and name HD3 ))
(( segid "A " and resid 44 and name HA ))
3.300 1.300 1.300 peak 1242 spectrum 1 weight .10000E+01 volume .20390E-02 ppm1 3.356 ppm2 4.153 CV 1
OR { 1242}
(( segid "A " and resid 47 and name HD3 ))
(( segid "A " and resid 47 and name HA ))
ASSI { 1410}
(( segid "A " and resid 79 and name HG2 ))
(( segid "A " and resid 79 and name HD2 ))
2.000 .500 .500 peak 1410 spectrum 1 weight .10000E+01 volume .11183E-01 ppm1 1.985 ppm2 3.547 CV 1
OR { 1410}
(( segid "A " and resid 79 and name HG2 ))
(( segid "A " and resid 79 and name HD3 ))
OR { 1410}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 31 and name HD3 ))
ASSI { 474}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 36 and name HB3 ))
2.500 .800 .800 peak 474 spectrum 1 weight .10000E+01 volume .55426E-02 ppm1 2.333 ppm2 2.936 CV 1
OR { 474}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 29 and name HE3 ))
OR { 474}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 29 and name HE2 ))
ASSI { 1230}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 51 and name H ))
3.300 1.400 1.400 peak 1230 spectrum 1 weight .10000E+01 volume .30233E-02 ppm1 1.812 ppm2 7.114 CV 1
OR { 1230}
( segid "A " and resid 51 and name HE% )
(( segid "A " and resid 48 and name HH2 ))
ASSI { 38}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name H ))
3.900 1.900 1.900 peak 38 spectrum 1 weight .10000E+01 volume .63153E-03 ppm1 2.799 ppm2 7.744 CV 1
OR { 38}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 36 and name HD22))
ASSI { 1329}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 11 and name HG2 ))
2.800 1.000 1.000 peak 1329 spectrum 1 weight .10000E+01 volume .20827E-02 ppm1 2.553 ppm2 .858 CV 1
OR { 1329}
(( segid "A " and resid 58 and name HE3 ))
(( segid "A " and resid 58 and name HG2 ))
OR { 1329}
(( segid "A " and resid 58 and name HE3 ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 1489}
(( segid "A " and resid 43 and name HG2 ))
(( segid "A " and resid 40 and name HB3 ))
2.300 2.300 3.700 peak 1489 spectrum 1 weight .10000E+01 volume .48639E-02 ppm1 1.411 ppm2 3.012 CV 1
OR { 1489}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 7 and name HE2 ))
OR { 1489}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 7 and name HE3 ))
OR { 1489}
(( segid "A " and resid 43 and name HG2 ))
(( segid "A " and resid 19 and name HA ))
ASSI { 1074}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 27 and name HD3 ))
2.900 1.100 1.100 peak 1074 spectrum 1 weight .10000E+01 volume .38698E-02 ppm1 2.337 ppm2 1.698 CV 1
OR { 1074}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 1074}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 28 and name HD3 ))
OR { 1074}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 1074}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 27 and name HD2 ))
OR { 1074}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 28 and name HD3 ))
OR { 1074}
(( segid "A " and resid 46 and name HG2 ))
(( segid "A " and resid 49 and name HD2 ))
OR { 1074}
(( segid "A " and resid 46 and name HG2 ))
(( segid "A " and resid 49 and name HG2 ))
ASSI { 352}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 39 and name HA ))
2.300 .700 .700 peak 352 spectrum 1 weight .10000E+01 volume .68932E-02 ppm1 2.017 ppm2 4.082 CV 1
OR { 352}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 72 and name HA ))
OR { 352}
(( segid "A " and resid 72 and name HB3 ))
(( segid "A " and resid 72 and name HA ))
ASSI { 7}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HA ))
2.700 .900 .900 peak 7 spectrum 1 weight .10000E+01 volume .35204E-02 ppm1 1.687 ppm2 4.155 CV 1
OR { 7}
(( segid "A " and resid 75 and name HG2 ))
(( segid "A " and resid 75 and name HA ))
ASSI { 365}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 25 and name H ))
3.200 1.300 1.300 peak 365 spectrum 1 weight .10000E+01 volume .50252E-02 ppm1 2.478 ppm2 8.215 CV 1
OR { 365}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 26 and name H ))
OR { 365}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 24 and name H ))
OR { 365}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 25 and name H ))
ASSI { 1624}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 79 and name HA ))
2.000 .500 .500 peak 1624 spectrum 1 weight .10000E+01 volume .93921E-02 ppm1 3.870 ppm2 4.411 CV 1
OR { 1624}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 5 and name HA ))
ASSI { 1252}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 73 and name H ))
2.800 1.000 1.000 peak 1252 spectrum 1 weight .10000E+01 volume .28553E-02 ppm1 4.023 ppm2 8.476 CV 1
OR { 1252}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 74 and name H ))
ASSI { 483}
( segid "A " and resid 77 and name HD% )
( segid "A " and resid 74 and name HE% )
2.600 .900 .900 peak 483 spectrum 1 weight .10000E+01 volume .47097E-02 ppm1 7.087 ppm2 2.005 CV 1
OR { 483}
( segid "A " and resid 77 and name HD% )
(( segid "A " and resid 79 and name HG3 ))
ASSI { 635}
( segid "A " and resid 17 and name HE% )
(( segid "A " and resid 67 and name H ))
3.500 1.500 1.500 peak 635 spectrum 1 weight .10000E+01 volume .93722E-03 ppm1 7.324 ppm2 8.201 CV 1
OR { 635}
( segid "A " and resid 17 and name HE% )
(( segid "A " and resid 21 and name H ))
ASSI { 732}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 27 and name HE2 ))
3.600 1.600 1.600 peak 732 spectrum 1 weight .10000E+01 volume .11925E-02 ppm1 2.140 ppm2 2.939 CV 1
OR { 732}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 29 and name HE3 ))
OR { 732}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 29 and name HE2 ))
OR { 732}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 75 and name HE3 ))
OR { 732}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 28 and name HE2 ))
OR { 732}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 75 and name HE2 ))
OR { 732}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 27 and name HE3 ))
OR { 732}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 28 and name HE3 ))
ASSI { 398}
( segid "A " and resid 19 and name HG2%)
( segid "B " and resid 144 and name HE% )
3.600 1.600 1.600 peak 398 spectrum 1 weight .10000E+01 volume .95065E-03 ppm1 .289 ppm2 2.092 CV 1
OR { 398}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 18 and name HB2 ))
OR { 398}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 20 and name HB2 ))
ASSI { 968}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 29 and name HA ))
2.800 2.800 3.200 peak 968 spectrum 1 weight .10000E+01 volume .90360E-03 ppm1 6.518 ppm2 3.991 CV 1
OR { 968}
(( segid "A " and resid 30 and name HD2 ))
(( segid "A " and resid 27 and name HA ))
ASSI { 856}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 11 and name HA ))
4.100 2.100 1.900 peak 856 spectrum 1 weight .10000E+01 volume .88010E-03 ppm1 2.568 ppm2 4.059 CV 1
OR { 856}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 67 and name HA ))
OR { 856}
(( segid "A " and resid 58 and name HE3 ))
(( segid "A " and resid 58 and name HA ))
ASSI { 116}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 15 and name H ))
3.500 1.500 1.500 peak 116 spectrum 1 weight .10000E+01 volume .79275E-03 ppm1 2.886 ppm2 7.912 CV 1
OR { 116}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 16 and name H ))
ASSI { 476}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 59 and name HA ))
3.600 1.600 1.600 peak 476 spectrum 1 weight .10000E+01 volume .83644E-03 ppm1 1.695 ppm2 4.439 CV 1
OR { 476}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 63 and name HA ))
ASSI { 1124}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 46 and name HG3 ))
2.800 2.800 3.200 peak 1124 spectrum 1 weight .10000E+01 volume .91032E-03 ppm1 1.262 ppm2 2.517 CV 1
OR { 1124}
( segid "A " and resid 50 and name HG2%)
(( segid "A " and resid 51 and name HG3 ))
ASSI { 563}
(( segid "A " and resid 48 and name HZ2 ))
(( segid "A " and resid 14 and name HB3 ))
4.000 2.000 2.000 peak 563 spectrum 1 weight .10000E+01 volume .66847E-03 ppm1 7.589 ppm2 4.126 CV 1
OR { 563}
(( segid "A " and resid 48 and name HZ2 ))
(( segid "A " and resid 14 and name HB2 ))
OR { 563}
(( segid "A " and resid 48 and name HZ2 ))
(( segid "A " and resid 56 and name HA ))
ASSI { 437}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HZ3 ))
4.200 2.200 1.800 peak 437 spectrum 1 weight .10000E+01 volume .97752E-03 ppm1 4.347 ppm2 6.433 CV 1
OR { 437}
(( segid "A " and resid 48 and name HA ))
( segid "A " and resid 18 and name HD% )
ASSI { 1620}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 20 and name H ))
2.800 1.000 1.000 peak 1620 spectrum 1 weight .10000E+01 volume .17300E-02 ppm1 2.068 ppm2 8.131 CV 1
OR { 1620}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 21 and name H ))
OR { 1620}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 20 and name H ))
OR { 1620}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 21 and name H ))
ASSI { 682}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name HG2 ))
3.400 1.500 1.500 peak 682 spectrum 1 weight .10000E+01 volume .13605E-02 ppm1 2.468 ppm2 1.365 CV 1
OR { 682}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 29 and name HG2 ))
OR { 682}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 28 and name HG2 ))
ASSI { 944}
(( segid "A " and resid 5 and name HG2 ))
(( segid "A " and resid 5 and name HD3 ))
1.900 .500 .500 peak 944 spectrum 1 weight .10000E+01 volume .18123E-01 ppm1 2.046 ppm2 3.874 CV 1
OR { 944}
(( segid "A " and resid 5 and name HG3 ))
(( segid "A " and resid 5 and name HD2 ))
OR { 944}
(( segid "A " and resid 80 and name HG3 ))
(( segid "A " and resid 80 and name HD3 ))
OR { 944}
(( segid "A " and resid 5 and name HG2 ))
(( segid "A " and resid 5 and name HD2 ))
OR { 944}
(( segid "A " and resid 5 and name HG3 ))
(( segid "A " and resid 5 and name HD3 ))
ASSI { 1471}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HB2 ))
2.100 .500 .500 peak 1471 spectrum 1 weight .10000E+01 volume .14596E-01 ppm1 1.570 ppm2 1.898 CV 1
OR { 1471}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 27 and name HB3 ))
OR { 1471}
(( segid "A " and resid 28 and name HG3 ))
(( segid "A " and resid 28 and name HB3 ))
OR { 1471}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HB3 ))
OR { 1471}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 27 and name HB2 ))
ASSI { 1364}
(( segid "A " and resid 48 and name HD1 ))
( segid "B " and resid 144 and name HE% )
3.700 1.700 1.700 peak 1364 spectrum 1 weight .10000E+01 volume .12294E-02 ppm1 6.963 ppm2 1.980 CV 1
OR { 1364}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name HB3 ))
OR { 1364}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 303}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 45 and name H ))
4.400 2.500 1.600 peak 303 spectrum 1 weight .10000E+01 volume .37623E-03 ppm1 .287 ppm2 8.370 CV 1
OR { 303}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 22 and name H ))
ASSI { 157}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HB2 ))
2.900 1.000 1.000 peak 157 spectrum 1 weight .10000E+01 volume .26134E-02 ppm1 3.774 ppm2 1.735 CV 1
OR { 157}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HB3 ))
ASSI { 939}
( segid "A " and resid 17 and name HD% )
(( segid "A " and resid 12 and name HB2 ))
3.600 1.600 1.600 peak 939 spectrum 1 weight .10000E+01 volume .50389E-03 ppm1 7.604 ppm2 1.563 CV 1
OR { 939}
( segid "A " and resid 59 and name HD% )
( segid "A " and resid 21 and name HG2%)
ASSI { 1387}
( segid "A " and resid 16 and name HB% )
(( segid "B " and resid 145 and name HA ))
3.100 1.200 1.200 peak 1387 spectrum 1 weight .10000E+01 volume .20222E-02 ppm1 1.318 ppm2 4.390 CV 1
OR { 1387}
( segid "A " and resid 16 and name HB% )
(( segid "B " and resid 144 and name HA ))
OR { 1387}
( segid "A " and resid 16 and name HB% )
(( segid "A " and resid 12 and name HA ))
ASSI { 79}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 74 and name H ))
3.800 1.800 1.800 peak 79 spectrum 1 weight .10000E+01 volume .16326E-02 ppm1 2.172 ppm2 8.481 CV 1
OR { 79}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 73 and name H ))
ASSI { 244}
( segid "A " and resid 15 and name HE% )
(( segid "B " and resid 144 and name HG2 ))
4.100 2.100 1.900 peak 244 spectrum 1 weight .10000E+01 volume .55426E-03 ppm1 6.353 ppm2 2.600 CV 1
OR { 244}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 18 and name HB3 ))
ASSI { 979}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 16 and name H ))
3.900 1.900 1.900 peak 979 spectrum 1 weight .10000E+01 volume .10850E-02 ppm1 5.809 ppm2 7.911 CV 1
OR { 979}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 15 and name H ))
ASSI { 353}
(( segid "A " and resid 15 and name HB2 ))
(( segid "A " and resid 16 and name H ))
3.200 1.300 1.300 peak 353 spectrum 1 weight .10000E+01 volume .11522E-02 ppm1 2.376 ppm2 7.901 CV 1
OR { 353}
(( segid "A " and resid 15 and name HB2 ))
(( segid "A " and resid 15 and name H ))
ASSI { 1137}
(( segid "A " and resid 37 and name HZ ))
( segid "B " and resid 150 and name HG2%)
3.300 3.300 2.700 peak 1137 spectrum 1 weight .10000E+01 volume .18946E-02 ppm1 7.081 ppm2 .835 CV 1
OR { 1137}
(( segid "A " and resid 37 and name HZ ))
( segid "B " and resid 145 and name HD1%)
OR { 1137}
(( segid "A " and resid 37 and name HZ ))
( segid "B " and resid 145 and name HD2%)
ASSI { 1521}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 44 and name HB3 ))
3.000 1.100 1.100 peak 1521 spectrum 1 weight .10000E+01 volume .17635E-02 ppm1 .287 ppm2 2.601 CV 1
OR { 1521}
( segid "A " and resid 19 and name HG2%)
(( segid "B " and resid 144 and name HG2 ))
ASSI { 406}
(( segid "A " and resid 20 and name HG2 ))
( segid "A " and resid 16 and name HB% )
4.000 2.000 2.000 peak 406 spectrum 1 weight .10000E+01 volume .64832E-03 ppm1 2.285 ppm2 1.336 CV 1
OR { 406}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 23 and name HG2 ))
OR { 406}
(( segid "A " and resid 20 and name HG3 ))
( segid "A " and resid 16 and name HB% )
OR { 406}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 23 and name HG2 ))
OR { 406}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 23 and name HG3 ))
ASSI { 85}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HG2 ))
2.000 .500 .500 peak 85 spectrum 1 weight .10000E+01 volume .19567E-01 ppm1 1.984 ppm2 1.715 CV 1
OR { 85}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HG2 ))
OR { 85}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 75 and name HG2 ))
OR { 85}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HD3 ))
OR { 85}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HG2 ))
OR { 85}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HD2 ))
OR { 85}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HD2 ))
OR { 85}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 85}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 1487}
( segid "A " and resid 40 and name HE% )
( segid "A " and resid 19 and name HG1%)
2.800 1.000 1.000 peak 1487 spectrum 1 weight .10000E+01 volume .28620E-02 ppm1 6.892 ppm2 .823 CV 1
OR { 1487}
( segid "A " and resid 40 and name HE% )
( segid "B " and resid 145 and name HD1%)
OR { 1487}
( segid "A " and resid 40 and name HD% )
( segid "A " and resid 19 and name HG1%)
ASSI { 254}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 77 and name H ))
3.800 1.800 1.800 peak 254 spectrum 1 weight .10000E+01 volume .12933E-02 ppm1 2.019 ppm2 7.514 CV 1
OR { 254}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 75 and name H ))
ASSI { 441}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HE3 ))
2.800 1.000 1.000 peak 441 spectrum 1 weight .10000E+01 volume .45180E-02 ppm1 1.889 ppm2 2.953 CV 1
OR { 441}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HE2 ))
OR { 441}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HE2 ))
OR { 441}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HE3 ))
OR { 441}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HE3 ))
OR { 441}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HE2 ))
OR { 441}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HE2 ))
ASSI { 357}
(( segid "A " and resid 58 and name HE3 ))
( segid "A " and resid 59 and name HD% )
4.100 2.100 1.900 peak 357 spectrum 1 weight .10000E+01 volume .46355E-03 ppm1 2.544 ppm2 7.643 CV 1
OR { 357}
(( segid "A " and resid 11 and name HE3 ))
(( segid "A " and resid 11 and name H ))
ASSI { 1476}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 8 and name HD3 ))
3.900 1.900 1.900 peak 1476 spectrum 1 weight .10000E+01 volume .12798E-02 ppm1 1.582 ppm2 2.973 CV 1
OR { 1476}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HE2 ))
OR { 1476}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HE3 ))
ASSI { 73}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 67 and name HG3 ))
2.000 .500 .500 peak 73 spectrum 1 weight .10000E+01 volume .13712E-01 ppm1 1.995 ppm2 1.520 CV 1
OR { 73}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HG3 ))
OR { 73}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HG3 ))
OR { 73}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HG3 ))
OR { 73}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 42 and name HG3 ))
OR { 73}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 67 and name HG2 ))
OR { 73}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 75 and name HG3 ))
OR { 73}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HG3 ))
ASSI { 6}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 59 and name HA ))
4.400 2.400 1.600 peak 6 spectrum 1 weight .10000E+01 volume .51061E-03 ppm1 .497 ppm2 4.456 CV 1
OR { 6}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 61 and name HA ))
ASSI { 1494}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HA ))
4.300 2.400 1.700 peak 1494 spectrum 1 weight .10000E+01 volume .57440E-03 ppm1 2.994 ppm2 4.113 CV 1
OR { 1494}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 44 and name HA ))
OR { 1494}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 17 and name HA ))
OR { 1494}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 21 and name HA ))
ASSI { 27}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 21 and name H ))
2.800 2.800 3.200 peak 27 spectrum 1 weight .10000E+01 volume .88345E-03 ppm1 1.914 ppm2 8.208 CV 1
OR { 27}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 17 and name H ))
ASSI { 706}
(( segid "A " and resid 23 and name HD3 ))
( segid "B " and resid 145 and name HD1%)
3.400 1.500 1.500 peak 706 spectrum 1 weight .10000E+01 volume .96744E-03 ppm1 2.728 ppm2 .834 CV 1
OR { 706}
(( segid "A " and resid 23 and name HD3 ))
( segid "A " and resid 19 and name HG1%)
ASSI { 1452}
( segid "A " and resid 40 and name HD% )
(( segid "A " and resid 41 and name HA ))
3.400 1.500 1.500 peak 1452 spectrum 1 weight .10000E+01 volume .11489E-02 ppm1 6.893 ppm2 3.749 CV 1
OR { 1452}
( segid "A " and resid 40 and name HE% )
(( segid "A " and resid 23 and name HA ))
OR { 1452}
( segid "A " and resid 40 and name HE% )
(( segid "A " and resid 41 and name HA ))
OR { 1452}
( segid "A " and resid 40 and name HD% )
(( segid "A " and resid 41 and name HB2 ))
ASSI { 1637}
(( segid "A " and resid 81 and name HD3 ))
(( segid "A " and resid 81 and name HE3 ))
1.500 .300 .700 peak 1637 spectrum 1 weight .10000E+01 volume .93316E-01 ppm1 1.687 ppm2 2.978 CV 1
OR { 1637}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 27 and name HE3 ))
OR { 1637}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 27 and name HE2 ))
OR { 1637}
(( segid "A " and resid 28 and name HD2 ))
(( segid "A " and resid 28 and name HE2 ))
OR { 1637}
(( segid "A " and resid 6 and name HD3 ))
(( segid "A " and resid 6 and name HE3 ))
OR { 1637}
(( segid "A " and resid 6 and name HD2 ))
(( segid "A " and resid 6 and name HE2 ))
OR { 1637}
(( segid "A " and resid 81 and name HD3 ))
(( segid "A " and resid 81 and name HE2 ))
OR { 1637}
(( segid "A " and resid 6 and name HD2 ))
(( segid "A " and resid 6 and name HE3 ))
OR { 1637}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HE3 ))
OR { 1637}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 27 and name HE2 ))
OR { 1637}
(( segid "A " and resid 75 and name HD3 ))
(( segid "A " and resid 75 and name HE3 ))
OR { 1637}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 27 and name HE3 ))
OR { 1637}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HE2 ))
OR { 1637}
(( segid "A " and resid 6 and name HD3 ))
(( segid "A " and resid 6 and name HE2 ))
OR { 1637}
(( segid "A " and resid 81 and name HD2 ))
(( segid "A " and resid 81 and name HE2 ))
ASSI { 1262}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 24 and name HB3 ))
2.800 1.000 1.000 peak 1262 spectrum 1 weight .10000E+01 volume .21163E-02 ppm1 4.130 ppm2 2.281 CV 1
OR { 1262}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 20 and name HG2 ))
OR { 1262}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 24 and name HG2 ))
ASSI { 740}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 23 and name HA ))
3.700 1.700 1.700 peak 740 spectrum 1 weight .10000E+01 volume .70209E-03 ppm1 .350 ppm2 3.792 CV 1
OR { 740}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 41 and name HA ))
OR { 740}
( segid "A " and resid 35 and name HG2%)
(( segid "A " and resid 41 and name HB2 ))
ASSI { 1109}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 77 and name HB3 ))
2.600 .800 .800 peak 1109 spectrum 1 weight .10000E+01 volume .54586E-02 ppm1 2.020 ppm2 2.985 CV 1
OR { 1109}
( segid "A " and resid 74 and name HE% )
(( segid "A " and resid 8 and name HD3 ))
ASSI { 112}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HG3 ))
2.000 .500 .500 peak 112 spectrum 1 weight .10000E+01 volume .17837E-01 ppm1 1.883 ppm2 1.513 CV 1
OR { 112}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HG2 ))
OR { 112}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HG3 ))
OR { 112}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HG3 ))
OR { 112}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HG3 ))
OR { 112}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HG2 ))
ASSI { 443}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 64 and name HA ))
2.700 .900 .900 peak 443 spectrum 1 weight .10000E+01 volume .47062E-02 ppm1 1.782 ppm2 4.132 CV 1
OR { 443}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 14 and name HB2 ))
OR { 443}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 14 and name HB3 ))
ASSI { 317}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 67 and name HB2 ))
3.200 1.300 1.300 peak 317 spectrum 1 weight .10000E+01 volume .21734E-02 ppm1 1.575 ppm2 2.166 CV 1
OR { 317}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 71 and name HB3 ))
ASSI { 1133}
(( segid "A " and resid 81 and name HD2 ))
(( segid "A " and resid 81 and name HA ))
2.500 .800 .800 peak 1133 spectrum 1 weight .10000E+01 volume .51193E-02 ppm1 1.694 ppm2 4.280 CV 1
OR { 1133}
(( segid "A " and resid 81 and name HD3 ))
(( segid "A " and resid 81 and name HA ))
OR { 1133}
(( segid "A " and resid 6 and name HD3 ))
(( segid "A " and resid 6 and name HA ))
ASSI { 1622}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 27 and name HB3 ))
3.000 3.000 3.000 peak 1622 spectrum 1 weight .10000E+01 volume .77596E-03 ppm1 .537 ppm2 1.898 CV 1
OR { 1622}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 27 and name HB2 ))
OR { 1622}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 42 and name HB3 ))
ASSI { 80}
(( segid "A " and resid 11 and name HE2 ))
(( segid "A " and resid 11 and name HD3 ))
1.800 .400 .400 peak 80 spectrum 1 weight .10000E+01 volume .27062E-01 ppm1 2.794 ppm2 1.481 CV 1
OR { 80}
(( segid "A " and resid 58 and name HE2 ))
(( segid "A " and resid 58 and name HD3 ))
OR { 80}
(( segid "A " and resid 58 and name HE2 ))
(( segid "A " and resid 58 and name HD2 ))
ASSI { 381}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 15 and name HA ))
4.500 2.500 1.500 peak 381 spectrum 1 weight .10000E+01 volume .47363E-03 ppm1 6.368 ppm2 2.892 CV 1
OR { 381}
( segid "A " and resid 15 and name HE% )
(( segid "A " and resid 49 and name HE2 ))
ASSI { 777}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 24 and name HB3 ))
3.400 1.500 1.500 peak 777 spectrum 1 weight .10000E+01 volume .32550E-02 ppm1 1.549 ppm2 2.292 CV 1
OR { 777}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 20 and name HG3 ))
OR { 777}
( segid "A " and resid 21 and name HG2%)
(( segid "A " and resid 20 and name HG2 ))
ASSI { 229}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 33 and name H ))
3.700 1.700 1.700 peak 229 spectrum 1 weight .10000E+01 volume .95065E-03 ppm1 2.592 ppm2 7.484 CV 1
OR { 229}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 26 and name HE1 ))
OR { 229}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 29 and name H ))
ASSI { 1269}
(( segid "A " and resid 43 and name HE3 ))
(( segid "A " and resid 40 and name HA ))
2.200 .600 .600 peak 1269 spectrum 1 weight .10000E+01 volume .12442E-01 ppm1 2.940 ppm2 4.063 CV 1
OR { 1269}
(( segid "A " and resid 43 and name HE2 ))
(( segid "A " and resid 40 and name HA ))
OR { 1269}
(( segid "A " and resid 27 and name HE2 ))
(( segid "A " and resid 24 and name HA ))
OR { 1269}
(( segid "A " and resid 42 and name HE2 ))
(( segid "A " and resid 42 and name HA ))
OR { 1269}
(( segid "A " and resid 54 and name HE2 ))
(( segid "A " and resid 54 and name HA ))
OR { 1269}
(( segid "A " and resid 42 and name HE3 ))
(( segid "A " and resid 42 and name HA ))
OR { 1269}
(( segid "A " and resid 49 and name HE2 ))
(( segid "A " and resid 49 and name HA ))
OR { 1269}
(( segid "A " and resid 54 and name HE3 ))
(( segid "A " and resid 54 and name HA ))
OR { 1269}
(( segid "A " and resid 27 and name HE3 ))
(( segid "A " and resid 24 and name HA ))
ASSI { 1550}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 69 and name HA ))
3.500 1.500 1.500 peak 1550 spectrum 1 weight .10000E+01 volume .15956E-02 ppm1 1.547 ppm2 4.103 CV 1
OR { 1550}
( segid "A " and resid 65 and name HB% )
(( segid "A " and resid 64 and name HA ))
OR { 1550}
( segid "A " and resid 68 and name HB% )
(( segid "A " and resid 67 and name HA ))
ASSI { 866}
(( segid "A " and resid 23 and name HB3 ))
(( segid "A " and resid 24 and name H ))
2.900 1.100 1.100 peak 866 spectrum 1 weight .10000E+01 volume .14108E-02 ppm1 1.746 ppm2 8.184 CV 1
OR { 866}
(( segid "A " and resid 23 and name HB3 ))
(( segid "A " and resid 26 and name H ))
ASSI { 1528}
(( segid "A " and resid 8 and name HB3 ))
( segid "A " and resid 70 and name HE% )
4.200 2.200 1.800 peak 1528 spectrum 1 weight .10000E+01 volume .47027E-03 ppm1 1.534 ppm2 6.816 CV 1
OR { 1528}
(( segid "A " and resid 11 and name HB2 ))
( segid "A " and resid 70 and name HE% )
OR { 1528}
(( segid "A " and resid 11 and name HB3 ))
( segid "A " and resid 70 and name HE% )
ASSI { 1617}
( segid "A " and resid 37 and name HE% )
(( segid "B " and resid 147 and name HB2 ))
4.100 2.100 1.900 peak 1617 spectrum 1 weight .10000E+01 volume .48710E-03 ppm1 7.004 ppm2 2.229 CV 1
OR { 1617}
( segid "A " and resid 37 and name HE% )
(( segid "B " and resid 151 and name HG2 ))
OR { 1617}
( segid "A " and resid 37 and name HE% )
(( segid "B " and resid 151 and name HG3 ))
ASSI { 1438}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
3.800 1.800 1.800 peak 1438 spectrum 1 weight .10000E+01 volume .52068E-03 ppm1 3.850 ppm2 1.906 CV 1
OR { 1438}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
OR { 1438}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 472}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name H ))
2.100 .600 .600 peak 472 spectrum 1 weight .10000E+01 volume .13276E-01 ppm1 1.886 ppm2 7.484 CV 1
OR { 472}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name H ))
OR { 472}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 29 and name H ))
OR { 472}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 28 and name H ))
ASSI { 1450}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 40 and name H ))
2.800 1.000 1.000 peak 1450 spectrum 1 weight .10000E+01 volume .30535E-02 ppm1 2.774 ppm2 8.602 CV 1
OR { 1450}
(( segid "A " and resid 61 and name HB3 ))
(( segid "A " and resid 61 and name H ))
OR { 1450}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 41 and name H ))
ASSI { 14}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 59 and name H ))
2.900 1.000 1.000 peak 14 spectrum 1 weight .10000E+01 volume .59053E-02 ppm1 1.916 ppm2 7.341 CV 1
OR { 14}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 62 and name H ))
ASSI { 733}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HB2 ))
3.600 1.700 1.700 peak 733 spectrum 1 weight .10000E+01 volume .71216E-03 ppm1 2.999 ppm2 2.500 CV 1
OR { 733}
(( segid "A " and resid 19 and name HA ))
(( segid "B " and resid 144 and name HG2 ))
ASSI { 692}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HG3 ))
2.300 .700 .700 peak 692 spectrum 1 weight .10000E+01 volume .11965E-01 ppm1 4.059 ppm2 1.488 CV 1
OR { 692}
(( segid "A " and resid 69 and name HA ))
(( segid "A " and resid 69 and name HG3 ))
OR { 692}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HG2 ))
OR { 692}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HG3 ))
OR { 692}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HG3 ))
OR { 692}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HD3 ))
OR { 692}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HD2 ))
ASSI { 1610}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 33 and name H ))
2.200 .600 .600 peak 1610 spectrum 1 weight .10000E+01 volume .10498E-01 ppm1 1.421 ppm2 7.500 CV 1
OR { 1610}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 26 and name HE1 ))
ASSI { 923}
(( segid "A " and resid 67 and name HB2 ))
(( segid "A " and resid 67 and name HA ))
2.800 1.000 1.000 peak 923 spectrum 1 weight .10000E+01 volume .16426E-02 ppm1 2.139 ppm2 4.088 CV 1
OR { 923}
(( segid "A " and resid 67 and name HB2 ))
(( segid "A " and resid 64 and name HA ))
ASSI { 521}
(( segid "A " and resid 18 and name HZ ))
(( segid "A " and resid 47 and name HG2 ))
3.400 1.400 1.400 peak 521 spectrum 1 weight .10000E+01 volume .99430E-03 ppm1 7.094 ppm2 1.844 CV 1
OR { 521}
(( segid "A " and resid 18 and name HZ ))
( segid "A " and resid 51 and name HE% )
ASSI { 1078}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 59 and name HB2 ))
3.200 1.300 1.300 peak 1078 spectrum 1 weight .10000E+01 volume .80622E-03 ppm1 7.614 ppm2 3.383 CV 1
OR { 1078}
( segid "A " and resid 17 and name HD% )
(( segid "A " and resid 17 and name HB2 ))
ASSI { 619}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name HA ))
2.200 .600 .600 peak 619 spectrum 1 weight .10000E+01 volume .13081E-01 ppm1 1.836 ppm2 4.279 CV 1
OR { 619}
(( segid "A " and resid 81 and name HB3 ))
(( segid "A " and resid 81 and name HA ))
OR { 619}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 6 and name HA ))
ASSI { 88}
(( segid "A " and resid 54 and name HE3 ))
(( segid "A " and resid 54 and name HD3 ))
1.500 .300 .700 peak 88 spectrum 1 weight .10000E+01 volume .78687E-01 ppm1 2.944 ppm2 1.676 CV 1
OR { 88}
(( segid "A " and resid 49 and name HE3 ))
(( segid "A " and resid 49 and name HD2 ))
OR { 88}
(( segid "A " and resid 43 and name HE2 ))
(( segid "A " and resid 43 and name HD3 ))
OR { 88}
(( segid "A " and resid 27 and name HE3 ))
(( segid "A " and resid 27 and name HD3 ))
OR { 88}
(( segid "A " and resid 27 and name HE2 ))
(( segid "A " and resid 27 and name HD2 ))
OR { 88}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 88}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name HD3 ))
OR { 88}
(( segid "A " and resid 27 and name HE2 ))
(( segid "A " and resid 27 and name HD3 ))
OR { 88}
(( segid "A " and resid 54 and name HE2 ))
(( segid "A " and resid 54 and name HD2 ))
OR { 88}
(( segid "A " and resid 27 and name HE3 ))
(( segid "A " and resid 27 and name HD2 ))
OR { 88}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name HD3 ))
OR { 88}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 88}
(( segid "A " and resid 43 and name HE3 ))
(( segid "A " and resid 43 and name HD3 ))
OR { 88}
(( segid "A " and resid 54 and name HE3 ))
(( segid "A " and resid 54 and name HD2 ))
OR { 88}
(( segid "A " and resid 54 and name HE2 ))
(( segid "A " and resid 54 and name HD3 ))
OR { 88}
(( segid "A " and resid 49 and name HE3 ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 1072}
(( segid "A " and resid 80 and name HB2 ))
(( segid "A " and resid 80 and name HA ))
2.300 .700 .700 peak 1072 spectrum 1 weight .10000E+01 volume .12530E-01 ppm1 2.296 ppm2 4.401 CV 1
OR { 1072}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 74 and name HA ))
ASSI { 714}
(( segid "A " and resid 64 and name HD2 ))
(( segid "A " and resid 64 and name HG3 ))
2.100 .500 .500 peak 714 spectrum 1 weight .10000E+01 volume .12604E-01 ppm1 1.779 ppm2 1.493 CV 1
OR { 714}
(( segid "A " and resid 67 and name HD2 ))
(( segid "A " and resid 67 and name HG2 ))
OR { 714}
(( segid "A " and resid 67 and name HD3 ))
(( segid "A " and resid 67 and name HG3 ))
OR { 714}
(( segid "A " and resid 67 and name HD3 ))
(( segid "A " and resid 67 and name HG2 ))
OR { 714}
(( segid "A " and resid 64 and name HD3 ))
(( segid "A " and resid 64 and name HG3 ))
ASSI { 1172}
(( segid "A " and resid 28 and name HG2 ))
(( segid "A " and resid 28 and name H ))
3.100 1.200 1.200 peak 1172 spectrum 1 weight .10000E+01 volume .37421E-02 ppm1 1.410 ppm2 7.481 CV 1
OR { 1172}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name H ))
OR { 1172}
(( segid "A " and resid 28 and name HG2 ))
(( segid "A " and resid 29 and name H ))
ASSI { 1098}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 4 and name HB2 ))
1.500 .300 .700 peak 1098 spectrum 1 weight .10000E+01 volume .38819E-01 ppm1 2.778 ppm2 2.617 CV 1
OR { 1098}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 32 and name HB2 ))
ASSI { 823}
( segid "A " and resid 33 and name HB% )
(( segid "A " and resid 26 and name HD2 ))
3.000 3.000 3.000 peak 823 spectrum 1 weight .10000E+01 volume .79275E-03 ppm1 1.417 ppm2 6.882 CV 1
OR { 823}
( segid "A " and resid 33 and name HB% )
( segid "A " and resid 40 and name HD% )
ASSI { 278}
(( segid "A " and resid 11 and name HE2 ))
(( segid "A " and resid 67 and name H ))
3.900 1.900 1.900 peak 278 spectrum 1 weight .10000E+01 volume .55761E-03 ppm1 2.796 ppm2 8.162 CV 1
OR { 278}
(( segid "A " and resid 58 and name HE2 ))
(( segid "A " and resid 56 and name H ))
ASSI { 1605}
(( segid "A " and resid 56 and name HD2 ))
(( segid "A " and resid 56 and name HB3 ))
3.300 1.400 1.400 peak 1605 spectrum 1 weight .10000E+01 volume .12597E-02 ppm1 .874 ppm2 1.764 CV 1
OR { 1605}
(( segid "A " and resid 56 and name HD2 ))
( segid "A " and resid 51 and name HE% )
ASSI { 504}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 73 and name H ))
3.300 1.400 1.400 peak 504 spectrum 1 weight .10000E+01 volume .12463E-02 ppm1 4.111 ppm2 8.478 CV 1
OR { 504}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 71 and name H ))
ASSI { 1505}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 29 and name H ))
3.200 1.300 1.300 peak 1505 spectrum 1 weight .10000E+01 volume .12933E-02 ppm1 4.221 ppm2 7.465 CV 1
OR { 1505}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 28 and name H ))
ASSI { 1057}
(( segid "A " and resid 64 and name HE2 ))
(( segid "A " and resid 64 and name HD3 ))
1.500 .300 .700 peak 1057 spectrum 1 weight .10000E+01 volume .86914E-01 ppm1 2.998 ppm2 1.698 CV 1
OR { 1057}
(( segid "A " and resid 81 and name HE3 ))
(( segid "A " and resid 81 and name HD3 ))
OR { 1057}
(( segid "A " and resid 64 and name HE3 ))
(( segid "A " and resid 64 and name HD2 ))
OR { 1057}
(( segid "A " and resid 7 and name HE2 ))
(( segid "A " and resid 7 and name HD3 ))
OR { 1057}
(( segid "A " and resid 7 and name HE3 ))
(( segid "A " and resid 7 and name HD2 ))
OR { 1057}
(( segid "A " and resid 6 and name HE3 ))
(( segid "A " and resid 6 and name HD3 ))
OR { 1057}
(( segid "A " and resid 6 and name HE2 ))
(( segid "A " and resid 6 and name HD2 ))
OR { 1057}
(( segid "A " and resid 81 and name HE3 ))
(( segid "A " and resid 81 and name HD2 ))
OR { 1057}
(( segid "A " and resid 81 and name HE2 ))
(( segid "A " and resid 81 and name HD3 ))
OR { 1057}
(( segid "A " and resid 6 and name HE3 ))
(( segid "A " and resid 6 and name HD2 ))
OR { 1057}
(( segid "A " and resid 75 and name HE2 ))
(( segid "A " and resid 75 and name HD3 ))
OR { 1057}
(( segid "A " and resid 75 and name HE3 ))
(( segid "A " and resid 75 and name HD3 ))
OR { 1057}
(( segid "A " and resid 6 and name HE2 ))
(( segid "A " and resid 6 and name HD3 ))
OR { 1057}
(( segid "A " and resid 81 and name HE2 ))
(( segid "A " and resid 81 and name HD2 ))
OR { 1057}
(( segid "A " and resid 7 and name HE3 ))
(( segid "A " and resid 7 and name HD3 ))
OR { 1057}
(( segid "A " and resid 64 and name HE2 ))
(( segid "A " and resid 64 and name HD2 ))
OR { 1057}
(( segid "A " and resid 64 and name HE3 ))
(( segid "A " and resid 64 and name HD3 ))
ASSI { 1264}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 8 and name HB3 ))
2.900 1.000 1.000 peak 1264 spectrum 1 weight .10000E+01 volume .22842E-02 ppm1 7.209 ppm2 1.533 CV 1
OR { 1264}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 11 and name HD3 ))
OR { 1264}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 8 and name HG3 ))
OR { 1264}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 67 and name HG2 ))
ASSI { 201}
(( segid "A " and resid 6 and name HG3 ))
(( segid "A " and resid 6 and name H ))
3.500 1.500 1.500 peak 201 spectrum 1 weight .10000E+01 volume .10212E-02 ppm1 1.447 ppm2 8.393 CV 1
OR { 201}
(( segid "A " and resid 6 and name HG2 ))
(( segid "A " and resid 6 and name H ))
OR { 201}
(( segid "A " and resid 2 and name HG3 ))
(( segid "A " and resid 2 and name H ))
OR { 201}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 2 and name H ))
OR { 201}
(( segid "A " and resid 81 and name HG2 ))
(( segid "A " and resid 81 and name H ))
ASSI { 938}
(( segid "A " and resid 43 and name HE3 ))
(( segid "A " and resid 40 and name HA ))
2.400 .700 .700 peak 938 spectrum 1 weight .10000E+01 volume .69436E-02 ppm1 2.947 ppm2 3.976 CV 1
OR { 938}
(( segid "A " and resid 43 and name HE2 ))
(( segid "A " and resid 40 and name HA ))
OR { 938}
(( segid "A " and resid 27 and name HE3 ))
(( segid "A " and resid 27 and name HA ))
OR { 938}
(( segid "A " and resid 49 and name HE2 ))
(( segid "A " and resid 49 and name HA ))
OR { 938}
(( segid "A " and resid 27 and name HE2 ))
(( segid "A " and resid 27 and name HA ))
ASSI { 824}
(( segid "A " and resid 80 and name HD2 ))
(( segid "A " and resid 79 and name HB3 ))
2.700 .900 .900 peak 824 spectrum 1 weight .10000E+01 volume .57374E-02 ppm1 3.647 ppm2 1.882 CV 1
OR { 824}
(( segid "A " and resid 80 and name HD2 ))
(( segid "A " and resid 80 and name HB3 ))
ASSI { 586}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 11 and name HA ))
3.700 1.700 1.700 peak 586 spectrum 1 weight .10000E+01 volume .14344E-02 ppm1 4.401 ppm2 4.099 CV 1
OR { 586}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 1263}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 40 and name HZ ))
3.200 1.300 1.300 peak 1263 spectrum 1 weight .10000E+01 volume .18341E-02 ppm1 3.749 ppm2 6.850 CV 1
OR { 1263}
(( segid "A " and resid 23 and name HA ))
( segid "A " and resid 40 and name HE% )
OR { 1263}
(( segid "A " and resid 71 and name HA ))
( segid "A " and resid 70 and name HE% )
ASSI { 1641}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HA ))
2.600 .900 .900 peak 1641 spectrum 1 weight .10000E+01 volume .50689E-02 ppm1 1.643 ppm2 4.068 CV 1
OR { 1641}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 55 and name HA ))
ASSI { 845}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HG3 ))
2.700 .900 .900 peak 845 spectrum 1 weight .10000E+01 volume .22104E-02 ppm1 1.580 ppm2 1.055 CV 1
OR { 845}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HG2 ))
ASSI { 220}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 36 and name HB3 ))
3.600 1.600 1.600 peak 220 spectrum 1 weight .10000E+01 volume .13605E-02 ppm1 2.067 ppm2 2.938 CV 1
OR { 220}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 1384}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 77 and name HB3 ))
3.200 1.300 1.300 peak 1384 spectrum 1 weight .10000E+01 volume .26067E-02 ppm1 6.737 ppm2 2.967 CV 1
OR { 1384}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 8 and name HD3 ))
OR { 1384}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 7 and name HE2 ))
ASSI { 618}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 53 and name HA ))
2.800 1.000 1.000 peak 618 spectrum 1 weight .10000E+01 volume .21230E-02 ppm1 1.578 ppm2 3.859 CV 1
OR { 618}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HA ))
ASSI { 1440}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 7 and name HA ))
2.800 .900 .900 peak 1440 spectrum 1 weight .10000E+01 volume .28520E-02 ppm1 6.735 ppm2 3.860 CV 1
OR { 1440}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 80 and name HD3 ))
ASSI { 924}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 26 and name HB3 ))
3.400 3.400 2.600 peak 924 spectrum 1 weight .10000E+01 volume .43669E-03 ppm1 6.798 ppm2 3.246 CV 1
OR { 924}
(( segid "A " and resid 40 and name HZ ))
(( segid "A " and resid 47 and name HD2 ))
ASSI { 68}
(( segid "A " and resid 27 and name HE2 ))
(( segid "A " and resid 27 and name H ))
2.500 2.500 3.500 peak 68 spectrum 1 weight .10000E+01 volume .19584E-02 ppm1 2.936 ppm2 8.009 CV 1
OR { 68}
(( segid "A " and resid 27 and name HE3 ))
(( segid "A " and resid 27 and name H ))
OR { 68}
(( segid "A " and resid 49 and name HE3 ))
(( segid "A " and resid 46 and name H ))
OR { 68}
(( segid "A " and resid 49 and name HE2 ))
(( segid "A " and resid 46 and name H ))
OR { 68}
(( segid "A " and resid 29 and name HE2 ))
(( segid "A " and resid 30 and name H ))
OR { 68}
(( segid "A " and resid 42 and name HE2 ))
(( segid "A " and resid 46 and name H ))
OR { 68}
(( segid "A " and resid 29 and name HE3 ))
(( segid "A " and resid 30 and name H ))
OR { 68}
(( segid "A " and resid 42 and name HE3 ))
(( segid "A " and resid 46 and name H ))
OR { 68}
(( segid "A " and resid 49 and name HE3 ))
(( segid "A " and resid 47 and name H ))
OR { 68}
(( segid "A " and resid 49 and name HE2 ))
(( segid "A " and resid 47 and name H ))
OR { 68}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 27 and name H ))
OR { 68}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 27 and name H ))
OR { 68}
(( segid "A " and resid 49 and name HE2 ))
(( segid "B " and resid 143 and name H ))
OR { 68}
(( segid "A " and resid 49 and name HE3 ))
(( segid "B " and resid 143 and name H ))
ASSI { 659}
(( segid "A " and resid 17 and name HA ))
( segid "B " and resid 145 and name HD2%)
4.000 2.000 2.000 peak 659 spectrum 1 weight .10000E+01 volume .81630E-03 ppm1 4.120 ppm2 .836 CV 1
OR { 659}
(( segid "A " and resid 17 and name HA ))
( segid "B " and resid 145 and name HD1%)
OR { 659}
(( segid "A " and resid 17 and name HA ))
( segid "A " and resid 19 and name HG1%)
ASSI { 206}
( segid "A " and resid 15 and name HE% )
( segid "B " and resid 143 and name HD1%)
3.300 1.400 1.400 peak 206 spectrum 1 weight .10000E+01 volume .17031E-02 ppm1 6.348 ppm2 .844 CV 1
OR { 206}
( segid "A " and resid 15 and name HE% )
( segid "A " and resid 19 and name HG1%)
ASSI { 633}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 13 and name HB2 ))
4.300 2.300 1.700 peak 633 spectrum 1 weight .10000E+01 volume .57105E-03 ppm1 5.808 ppm2 4.100 CV 1
OR { 633}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 14 and name HB3 ))
OR { 633}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 14 and name HB2 ))
OR { 633}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 45 and name HB3 ))
OR { 633}
( segid "A " and resid 15 and name HD% )
(( segid "A " and resid 17 and name HA ))
ASSI { 1369}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name H ))
3.900 1.900 1.900 peak 1369 spectrum 1 weight .10000E+01 volume .58112E-03 ppm1 2.476 ppm2 7.488 CV 1
OR { 1369}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 29 and name H ))
OR { 1369}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 28 and name H ))
ASSI { 836}
(( segid "A " and resid 6 and name HG3 ))
(( segid "A " and resid 6 and name H ))
3.300 1.300 1.300 peak 836 spectrum 1 weight .10000E+01 volume .13101E-02 ppm1 1.420 ppm2 8.359 CV 1
OR { 836}
(( segid "A " and resid 6 and name HG2 ))
(( segid "A " and resid 6 and name H ))
OR { 836}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 2 and name H ))
ASSI { 827}
(( segid "A " and resid 11 and name HE3 ))
( segid "A " and resid 70 and name HD% )
3.500 1.600 1.600 peak 827 spectrum 1 weight .10000E+01 volume .63825E-03 ppm1 2.552 ppm2 7.230 CV 1
OR { 827}
(( segid "A " and resid 58 and name HE3 ))
(( segid "A " and resid 59 and name H ))
ASSI { 484}
(( segid "A " and resid 75 and name HG3 ))
(( segid "A " and resid 75 and name H ))
2.900 1.000 1.000 peak 484 spectrum 1 weight .10000E+01 volume .45989E-02 ppm1 1.553 ppm2 7.492 CV 1
OR { 484}
(( segid "A " and resid 28 and name HG3 ))
(( segid "A " and resid 28 and name H ))
OR { 484}
(( segid "A " and resid 28 and name HG3 ))
(( segid "A " and resid 29 and name H ))
OR { 484}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 28 and name H ))
ASSI { 219}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name H ))
2.300 .600 .600 peak 219 spectrum 1 weight .10000E+01 volume .58885E-02 ppm1 1.981 ppm2 7.505 CV 1
OR { 219}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 42 and name H ))
OR { 219}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name H ))
OR { 219}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 75 and name H ))
OR { 219}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 68 and name H ))
ASSI { 327}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 60 and name H ))
3.000 3.000 3.000 peak 327 spectrum 1 weight .10000E+01 volume .61138E-03 ppm1 1.913 ppm2 8.407 CV 1
OR { 327}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 22 and name H ))
ASSI { 135}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 76 and name H ))
2.600 .900 .900 peak 135 spectrum 1 weight .10000E+01 volume .37253E-02 ppm1 4.388 ppm2 7.395 CV 1
OR { 135}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 50 and name H ))
ASSI { 1088}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 17 and name HA ))
4.100 2.100 1.900 peak 1088 spectrum 1 weight .10000E+01 volume .72559E-03 ppm1 .819 ppm2 4.089 CV 1
OR { 1088}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 44 and name HA ))
OR { 1088}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 22 and name HA ))
OR { 1088}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 21 and name HA ))
OR { 1088}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 37 and name HA ))
OR { 1088}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 40 and name HA ))
ASSI { 1509}
( segid "A " and resid 18 and name HE% )
( segid "A " and resid 51 and name HE% )
3.700 1.700 1.700 peak 1509 spectrum 1 weight .10000E+01 volume .68861E-03 ppm1 7.388 ppm2 1.814 CV 1
OR { 1509}
( segid "A " and resid 18 and name HE% )
(( segid "A " and resid 47 and name HG2 ))
OR { 1509}
( segid "A " and resid 18 and name HE% )
(( segid "A " and resid 19 and name HB ))
ASSI { 770}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 62 and name HG3 ))
4.200 2.200 1.800 peak 770 spectrum 1 weight .10000E+01 volume .50725E-03 ppm1 2.610 ppm2 2.250 CV 1
OR { 770}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 1638}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 55 and name H ))
4.000 2.000 2.000 peak 1638 spectrum 1 weight .10000E+01 volume .85995E-03 ppm1 2.228 ppm2 7.663 CV 1
OR { 1638}
(( segid "A " and resid 55 and name HB3 ))
( segid "A " and resid 59 and name HD% )
ASSI { 1237}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 6 and name HA ))
3.700 1.700 1.700 peak 1237 spectrum 1 weight .10000E+01 volume .55761E-03 ppm1 1.582 ppm2 4.272 CV 1
OR { 1237}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 8 and name HA ))
ASSI { 611}
(( segid "A " and resid 73 and name HB3 ))
(( segid "A " and resid 73 and name H ))
3.200 1.300 1.300 peak 611 spectrum 1 weight .10000E+01 volume .81294E-03 ppm1 1.637 ppm2 8.477 CV 1
OR { 611}
(( segid "A " and resid 73 and name HB3 ))
(( segid "A " and resid 74 and name H ))
ASSI { 1328}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 20 and name H ))
3.600 1.600 1.600 peak 1328 spectrum 1 weight .10000E+01 volume .18341E-02 ppm1 .287 ppm2 8.114 CV 1
OR { 1328}
( segid "A " and resid 19 and name HG2%)
(( segid "B " and resid 144 and name H ))
OR { 1328}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 18 and name H ))
ASSI { 1423}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 27 and name HA ))
4.300 2.300 1.700 peak 1423 spectrum 1 weight .10000E+01 volume .63489E-03 ppm1 2.819 ppm2 3.964 CV 1
OR { 1423}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 29 and name HA ))
ASSI { 1175}
(( segid "A " and resid 5 and name HD2 ))
(( segid "A " and resid 5 and name HB2 ))
3.200 1.300 1.300 peak 1175 spectrum 1 weight .10000E+01 volume .46457E-02 ppm1 3.871 ppm2 2.325 CV 1
OR { 1175}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 80 and name HB2 ))
OR { 1175}
(( segid "A " and resid 80 and name HD3 ))
(( segid "A " and resid 79 and name HB2 ))
OR { 1175}
(( segid "A " and resid 5 and name HD3 ))
(( segid "A " and resid 5 and name HB2 ))
ASSI { 98}
( segid "A " and resid 63 and name HB% )
( segid "A " and resid 17 and name HE% )
3.100 1.200 1.200 peak 98 spectrum 1 weight .10000E+01 volume .51966E-02 ppm1 1.782 ppm2 7.334 CV 1
OR { 98}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 62 and name H ))
ASSI { 798}
(( segid "A " and resid 43 and name HG2 ))
(( segid "A " and resid 40 and name HA ))
2.300 .600 .600 peak 798 spectrum 1 weight .10000E+01 volume .11327E-01 ppm1 1.406 ppm2 4.064 CV 1
OR { 798}
(( segid "A " and resid 69 and name HG2 ))
(( segid "A " and resid 69 and name HA ))
OR { 798}
(( segid "A " and resid 54 and name HG2 ))
(( segid "A " and resid 54 and name HA ))
OR { 798}
(( segid "A " and resid 54 and name HG3 ))
(( segid "A " and resid 54 and name HA ))
OR { 798}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name HA ))
OR { 798}
(( segid "A " and resid 43 and name HG2 ))
(( segid "A " and resid 43 and name HA ))
ASSI { 1451}
( segid "A " and resid 12 and name HE% )
( segid "B " and resid 154 and name HD% )
3.500 1.500 1.500 peak 1451 spectrum 1 weight .10000E+01 volume .21264E-02 ppm1 1.189 ppm2 7.157 CV 1
OR { 1451}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 17 and name HZ ))
ASSI { 1319}
( segid "A " and resid 19 and name HG2%)
( segid "A " and resid 16 and name HB% )
4.100 2.100 1.900 peak 1319 spectrum 1 weight .10000E+01 volume .79611E-03 ppm1 .290 ppm2 1.308 CV 1
OR { 1319}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 23 and name HG3 ))
ASSI { 208}
(( segid "A " and resid 48 and name HH2 ))
(( segid "A " and resid 56 and name HB3 ))
3.400 1.500 1.500 peak 208 spectrum 1 weight .10000E+01 volume .97080E-03 ppm1 7.090 ppm2 1.771 CV 1
OR { 208}
(( segid "A " and resid 48 and name HH2 ))
( segid "A " and resid 51 and name HE% )
ASSI { 377}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 12 and name HA ))
3.400 1.400 1.400 peak 377 spectrum 1 weight .10000E+01 volume .21499E-02 ppm1 1.191 ppm2 4.383 CV 1
OR { 377}
( segid "A " and resid 12 and name HE% )
(( segid "B " and resid 145 and name HA ))
ASSI { 956}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 63 and name HA ))
2.200 .600 .600 peak 956 spectrum 1 weight .10000E+01 volume .10733E-01 ppm1 1.782 ppm2 4.396 CV 1
OR { 956}
( segid "A " and resid 63 and name HB% )
(( segid "A " and resid 60 and name HA ))
ASSI { 485}
( segid "A " and resid 17 and name HE% )
(( segid "A " and resid 12 and name HB2 ))
3.300 1.400 1.400 peak 485 spectrum 1 weight .10000E+01 volume .98759E-03 ppm1 7.329 ppm2 1.570 CV 1
OR { 485}
( segid "A " and resid 17 and name HE% )
( segid "A " and resid 21 and name HG2%)
ASSI { 1381}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 6 and name HG3 ))
1.900 .500 .500 peak 1381 spectrum 1 weight .10000E+01 volume .20545E-01 ppm1 1.868 ppm2 1.442 CV 1
OR { 1381}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HG2 ))
OR { 1381}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 54 and name HG3 ))
OR { 1381}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 54 and name HG2 ))
OR { 1381}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HG3 ))
OR { 1381}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HG2 ))
OR { 1381}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 54 and name HG2 ))
OR { 1381}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 54 and name HG3 ))
OR { 1381}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 6 and name HG2 ))
ASSI { 549}
(( segid "A " and resid 43 and name HG3 ))
(( segid "A " and resid 43 and name HE2 ))
2.300 .700 .700 peak 549 spectrum 1 weight .10000E+01 volume .11045E-01 ppm1 1.536 ppm2 2.954 CV 1
OR { 549}
(( segid "A " and resid 43 and name HG3 ))
(( segid "A " and resid 43 and name HE3 ))
OR { 549}
(( segid "A " and resid 75 and name HG3 ))
(( segid "A " and resid 75 and name HE3 ))
OR { 549}
(( segid "A " and resid 75 and name HG3 ))
(( segid "A " and resid 75 and name HE2 ))
OR { 549}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HE2 ))
OR { 549}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 27 and name HE2 ))
OR { 549}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HE3 ))
ASSI { 69}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 71 and name HG2 ))
3.200 1.300 1.300 peak 69 spectrum 1 weight .10000E+01 volume .15016E-02 ppm1 7.209 ppm2 2.750 CV 1
OR { 69}
( segid "A " and resid 70 and name HD% )
(( segid "A " and resid 11 and name HE2 ))
ASSI { 58}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 23 and name HA ))
3.200 1.300 1.300 peak 58 spectrum 1 weight .10000E+01 volume .11018E-02 ppm1 .535 ppm2 3.789 CV 1
OR { 58}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 34 and name HB2 ))
OR { 58}
( segid "A " and resid 35 and name HG1%)
(( segid "A " and resid 41 and name HA ))
ASSI { 459}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 24 and name HB2 ))
3.600 1.600 1.600 peak 459 spectrum 1 weight .10000E+01 volume .14713E-02 ppm1 4.129 ppm2 2.175 CV 1
OR { 459}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 25 and name HB2 ))
ASSI { 1547}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 29 and name HE3 ))
2.800 1.000 1.000 peak 1547 spectrum 1 weight .10000E+01 volume .31812E-02 ppm1 2.467 ppm2 2.939 CV 1
OR { 1547}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 29 and name HE2 ))
OR { 1547}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name HE2 ))
OR { 1547}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name HE3 ))
OR { 1547}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 28 and name HE2 ))
ASSI { 1130}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 71 and name HB3 ))
3.400 1.400 1.400 peak 1130 spectrum 1 weight .10000E+01 volume .22406E-02 ppm1 4.291 ppm2 2.148 CV 1
OR { 1130}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 67 and name HB2 ))
ASSI { 335}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 29 and name H ))
3.800 1.800 1.800 peak 335 spectrum 1 weight .10000E+01 volume .74574E-03 ppm1 2.328 ppm2 7.468 CV 1
OR { 335}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 28 and name H ))
OR { 335}
(( segid "A " and resid 25 and name HG2 ))
(( segid "A " and resid 28 and name H ))
OR { 335}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 42 and name H ))
ASSI { 603}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name H ))
2.600 .800 .800 peak 603 spectrum 1 weight .10000E+01 volume .26303E-02 ppm1 1.584 ppm2 7.907 CV 1
OR { 603}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 57 and name H ))
ASSI { 496}
(( segid "A " and resid 6 and name HB3 ))
(( segid "A " and resid 6 and name HA ))
2.200 .600 .600 peak 496 spectrum 1 weight .10000E+01 volume .94628E-02 ppm1 1.779 ppm2 4.275 CV 1
OR { 496}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 2 and name HA ))
OR { 496}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name HA ))
OR { 496}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 2 and name HA ))
ASSI { 802}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 39 and name H ))
3.400 1.400 1.400 peak 802 spectrum 1 weight .10000E+01 volume .96408E-03 ppm1 2.945 ppm2 7.790 CV 1
OR { 802}
(( segid "A " and resid 77 and name HB3 ))
(( segid "A " and resid 78 and name H ))
ASSI { 541}
( segid "A " and resid 15 and name HD% )
( segid "B " and resid 143 and name HD2%)
3.600 1.600 1.600 peak 541 spectrum 1 weight .10000E+01 volume .13941E-02 ppm1 5.813 ppm2 .834 CV 1
OR { 541}
( segid "A " and resid 15 and name HD% )
( segid "A " and resid 19 and name HG1%)
OR { 541}
( segid "A " and resid 15 and name HD% )
( segid "B " and resid 143 and name HD1%)
OR { 541}
( segid "A " and resid 15 and name HD% )
( segid "B " and resid 145 and name HD2%)
ASSI { 540}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HB2 ))
2.000 .500 .500 peak 540 spectrum 1 weight .10000E+01 volume .19658E-01 ppm1 4.058 ppm2 1.905 CV 1
OR { 540}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HB3 ))
OR { 540}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 28 and name HB3 ))
OR { 540}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 27 and name HB2 ))
OR { 540}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 349}
(( segid "A " and resid 64 and name HE3 ))
(( segid "A " and resid 65 and name H ))
2.900 2.900 3.100 peak 349 spectrum 1 weight .10000E+01 volume .79946E-03 ppm1 3.014 ppm2 7.903 CV 1
OR { 349}
(( segid "A " and resid 64 and name HE2 ))
(( segid "A " and resid 65 and name H ))
OR { 349}
(( segid "A " and resid 7 and name HE2 ))
(( segid "A " and resid 7 and name H ))
OR { 349}
(( segid "A " and resid 7 and name HE3 ))
(( segid "A " and resid 7 and name H ))
OR { 349}
(( segid "A " and resid 6 and name HE3 ))
(( segid "A " and resid 7 and name H ))
ASSI { 945}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 79 and name HA ))
3.400 1.500 1.500 peak 945 spectrum 1 weight .10000E+01 volume .97080E-03 ppm1 .801 ppm2 4.423 CV 1
OR { 945}
( segid "A " and resid 78 and name HG2%)
(( segid "A " and resid 80 and name HA ))
ASSI { 1011}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 79 and name HG2 ))
2.800 1.000 1.000 peak 1011 spectrum 1 weight .10000E+01 volume .47769E-02 ppm1 6.737 ppm2 1.983 CV 1
OR { 1011}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 80 and name HG2 ))
OR { 1011}
( segid "A " and resid 77 and name HE% )
(( segid "A " and resid 80 and name HG3 ))
ASSI { 914}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 40 and name HB2 ))
3.300 1.400 1.400 peak 914 spectrum 1 weight .10000E+01 volume .23414E-02 ppm1 4.036 ppm2 2.791 CV 1
OR { 914}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 36 and name HB2 ))
ASSI { 517}
(( segid "A " and resid 73 and name HG3 ))
(( segid "A " and resid 74 and name H ))
3.700 1.800 1.800 peak 517 spectrum 1 weight .10000E+01 volume .14646E-02 ppm1 2.642 ppm2 8.485 CV 1
OR { 517}
(( segid "A " and resid 73 and name HG3 ))
(( segid "A " and resid 73 and name H ))
ASSI { 119}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 61 and name HA ))
3.800 1.800 1.800 peak 119 spectrum 1 weight .10000E+01 volume .91372E-03 ppm1 3.783 ppm2 4.436 CV 1
OR { 119}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 63 and name HA ))
OR { 119}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 59 and name HA ))
OR { 119}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 74 and name HA ))
ASSI { 1058}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 8 and name HD3 ))
3.800 1.800 1.800 peak 1058 spectrum 1 weight .10000E+01 volume .11623E-02 ppm1 1.668 ppm2 2.973 CV 1
OR { 1058}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HE3 ))
OR { 1058}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HE2 ))
ASSI { 889}
(( segid "A " and resid 5 and name HG3 ))
(( segid "A " and resid 5 and name HB2 ))
2.100 .500 .500 peak 889 spectrum 1 weight .10000E+01 volume .15324E-01 ppm1 2.049 ppm2 2.354 CV 1
OR { 889}
(( segid "A " and resid 5 and name HG2 ))
(( segid "A " and resid 5 and name HB2 ))
OR { 889}
(( segid "A " and resid 79 and name HG3 ))
(( segid "A " and resid 79 and name HB2 ))
ASSI { 710}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 16 and name HA ))
3.800 1.800 1.800 peak 710 spectrum 1 weight .10000E+01 volume .12966E-02 ppm1 1.189 ppm2 3.638 CV 1
OR { 710}
( segid "A " and resid 12 and name HE% )
(( segid "A " and resid 17 and name HB3 ))
ASSI { 380}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 41 and name HA ))
3.400 1.400 1.400 peak 380 spectrum 1 weight .10000E+01 volume .12026E-02 ppm1 .286 ppm2 3.747 CV 1
OR { 380}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 18 and name HA ))
OR { 380}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 41 and name HB2 ))
ASSI { 570}
(( segid "A " and resid 64 and name HG3 ))
(( segid "A " and resid 64 and name HB3 ))
2.000 .500 .500 peak 570 spectrum 1 weight .10000E+01 volume .16937E-01 ppm1 1.530 ppm2 1.975 CV 1
OR { 570}
(( segid "A " and resid 75 and name HG3 ))
(( segid "A " and resid 75 and name HB3 ))
OR { 570}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 49 and name HB2 ))
OR { 570}
(( segid "A " and resid 75 and name HG3 ))
(( segid "A " and resid 75 and name HB2 ))
OR { 570}
(( segid "A " and resid 64 and name HG3 ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 462}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name HD2 ))
3.000 1.100 1.100 peak 462 spectrum 1 weight .10000E+01 volume .28956E-02 ppm1 2.464 ppm2 1.701 CV 1
OR { 462}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 28 and name HD3 ))
OR { 462}
(( segid "A " and resid 46 and name HG3 ))
(( segid "A " and resid 49 and name HD2 ))
OR { 462}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 27 and name HD3 ))
OR { 462}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 462}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 27 and name HD2 ))
OR { 462}
(( segid "A " and resid 25 and name HG3 ))
(( segid "A " and resid 28 and name HD3 ))
ASSI { 1281}
( segid "A " and resid 59 and name HD% )
( segid "A " and resid 51 and name HE% )
3.700 1.700 1.700 peak 1281 spectrum 1 weight .10000E+01 volume .64832E-03 ppm1 7.604 ppm2 1.815 CV 1
OR { 1281}
( segid "A " and resid 17 and name HD% )
( segid "A " and resid 63 and name HB% )
OR { 1281}
( segid "A " and resid 59 and name HD% )
(( segid "A " and resid 56 and name HB3 ))
ASSI { 1243}
(( segid "A " and resid 48 and name HD1 ))
( segid "B " and resid 143 and name HD1%)
4.000 2.000 2.000 peak 1243 spectrum 1 weight .10000E+01 volume .63825E-03 ppm1 6.960 ppm2 .847 CV 1
OR { 1243}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 56 and name HD3 ))
OR { 1243}
(( segid "A " and resid 48 and name HD1 ))
(( segid "A " and resid 56 and name HD2 ))
ASSI { 881}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HE2 ))
3.200 1.300 1.300 peak 881 spectrum 1 weight .10000E+01 volume .30468E-02 ppm1 2.008 ppm2 3.008 CV 1
OR { 881}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HE3 ))
OR { 881}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HE3 ))
OR { 881}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 75 and name HE2 ))
OR { 881}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HE2 ))
OR { 881}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HE3 ))
OR { 881}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HE2 ))
ASSI { 12}
(( segid "A " and resid 15 and name HB3 ))
( segid "B " and resid 143 and name HD1%)
5.600 4.000 .400 peak 12 spectrum 1 weight .10000E+01 volume .20295E-03 ppm1 2.378 ppm2 .867 CV 1
OR { 12}
(( segid "A " and resid 15 and name HB3 ))
( segid "B " and resid 145 and name HD2%)
OR { 12}
(( segid "A " and resid 15 and name HB3 ))
( segid "B " and resid 145 and name HD1%)
ASSI { 34}
( segid "A " and resid 15 and name HD% )
( segid "B " and resid 143 and name HD1%)
4.300 2.300 1.700 peak 34 spectrum 1 weight .10000E+01 volume .91151E-03 ppm1 5.811 ppm2 .851 CV 1
OR { 34}
( segid "A " and resid 15 and name HD% )
( segid "B " and resid 145 and name HD2%)
ASSI { 6}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 143 and name HB3 ))
4.700 2.800 1.300 peak 6 spectrum 1 weight .10000E+01 volume .37326E-03 ppm1 5.804 ppm2 1.617 CV 1
OR { 6}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 143 and name HG ))
OR { 6}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 145 and name HG ))
OR { 6}
( segid "A " and resid 15 and name HD% )
(( segid "B " and resid 145 and name HB2 ))
ASSI { 41}
( segid "A " and resid 37 and name HE% )
( segid "B " and resid 150 and name HG2%)
4.100 2.100 1.900 peak 41 spectrum 1 weight .10000E+01 volume .78983E-03 ppm1 7.012 ppm2 .838 CV 1
OR { 41}
( segid "A " and resid 37 and name HE% )
( segid "B " and resid 145 and name HD1%)
ASSI { 2}
(( segid "A " and resid 42 and name HG2 ))
( segid "B " and resid 143 and name HD1%)
4.700 2.800 1.300 peak 2 spectrum 1 weight .10000E+01 volume .34656E-03 ppm1 1.386 ppm2 .843 CV 1
OR { 2}
(( segid "A " and resid 43 and name HG2 ))
( segid "B " and resid 143 and name HD1%)
ASSI { 5}
(( segid "A " and resid 42 and name HA ))
( segid "B " and resid 143 and name HD1%)
4.000 2.000 2.000 peak 5 spectrum 1 weight .10000E+01 volume .64505E-03 ppm1 4.066 ppm2 .872 CV 1
OR { 5}
(( segid "A " and resid 46 and name HA ))
( segid "B " and resid 143 and name HD1%)
ASSI { 66}
(( segid "A " and resid 40 and name HZ ))
( segid "B " and resid 145 and name HD1%)
3.500 3.500 2.500 peak 66 spectrum 1 weight .10000E+01 volume .27475E-03 ppm1 6.810 ppm2 .842 CV 1
OR { 66}
(( segid "A " and resid 40 and name HZ ))
( segid "B " and resid 143 and name HD1%)
ASSI { 9}
(( segid "A " and resid 15 and name HB2 ))
( segid "B " and resid 145 and name HD2%)
5.500 3.800 .500 peak 9 spectrum 1 weight .10000E+01 volume .22847E-03 ppm1 2.357 ppm2 .836 CV 1
OR { 9}
(( segid "A " and resid 15 and name HB2 ))
( segid "B " and resid 143 and name HD2%)
OR { 9}
(( segid "A " and resid 15 and name HB3 ))
( segid "B " and resid 143 and name HD2%)
OR { 9}
(( segid "A " and resid 15 and name HB2 ))
( segid "B " and resid 143 and name HD1%)
OR { 9}
(( segid "A " and resid 15 and name HB3 ))
( segid "B " and resid 143 and name HD1%)
OR { 9}
(( segid "A " and resid 15 and name HB3 ))
( segid "B " and resid 145 and name HD2%)
OR { 9}
(( segid "A " and resid 15 and name HB3 ))
( segid "B " and resid 145 and name HD1%)
ASSI { 64}
(( segid "A " and resid 37 and name HZ ))
( segid "B " and resid 145 and name HD1%)
4.200 2.200 1.800 peak 64 spectrum 1 weight .10000E+01 volume .80644E-03 ppm1 7.090 ppm2 .857 CV 1
OR { 64}
(( segid "A " and resid 37 and name HZ ))
( segid "B " and resid 145 and name HD2%)
OR { 64}
(( segid "A " and resid 18 and name HZ ))
( segid "B " and resid 143 and name HD1%)
ASSI { 150}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 121 and name HA ))
2.800 1.000 1.000 peak 150 spectrum 1 weight .10000E+01 volume .26464E-02 ppm1 7.563 ppm2 4.504 CV 1
OR { 150}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 123 and name HA ))
ASSI { 170}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 150 and name HB ))
4.700 2.700 1.300 peak 170 spectrum 1 weight .10000E+01 volume .57666E-03 ppm1 7.936 ppm2 1.870 CV 1
OR { 170}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 151 and name HB3 ))
ASSI { 30}
(( segid "B " and resid 140 and name H ))
(( segid "B " and resid 140 and name HB2 ))
3.000 1.100 1.100 peak 30 spectrum 1 weight .10000E+01 volume .23222E-02 ppm1 8.316 ppm2 2.018 CV 1
OR { 30}
(( segid "B " and resid 140 and name H ))
( segid "B " and resid 140 and name HE% )
OR { 30}
(( segid "B " and resid 130 and name H ))
(( segid "B " and resid 128 and name HB3 ))
ASSI { 211}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 142 and name HA ))
2.400 .700 .700 peak 211 spectrum 1 weight .10000E+01 volume .82854E-02 ppm1 8.226 ppm2 4.530 CV 1
OR { 211}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 141 and name HA ))
ASSI { 117}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 153 and name HB3 ))
3.000 1.100 1.100 peak 117 spectrum 1 weight .10000E+01 volume .31233E-02 ppm1 7.870 ppm2 3.026 CV 1
OR { 117}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 153 and name HB2 ))
OR { 117}
(( segid "B " and resid 153 and name H ))
(( segid "B " and resid 154 and name HB2 ))
ASSI { 193}
(( segid "B " and resid 145 and name H ))
( segid "B " and resid 145 and name HD2%)
3.600 1.600 1.600 peak 193 spectrum 1 weight .10000E+01 volume .14588E-02 ppm1 8.004 ppm2 .832 CV 1
OR { 193}
(( segid "B " and resid 145 and name H ))
( segid "A " and resid 19 and name HG1%)
OR { 193}
(( segid "B " and resid 145 and name H ))
( segid "B " and resid 145 and name HD1%)
ASSI { 144}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 143 and name HG ))
3.700 1.700 1.700 peak 144 spectrum 1 weight .10000E+01 volume .14588E-02 ppm1 8.147 ppm2 1.586 CV 1
OR { 144}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 145 and name HB2 ))
ASSI { 224}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 145 and name HA ))
2.400 .700 .700 peak 224 spectrum 1 weight .10000E+01 volume .63838E-02 ppm1 8.006 ppm2 4.412 CV 1
OR { 224}
(( segid "B " and resid 145 and name H ))
(( segid "B " and resid 144 and name HA ))
ASSI { 67}
(( segid "B " and resid 156 and name H ))
(( segid "B " and resid 155 and name HA ))
2.400 .700 .700 peak 67 spectrum 1 weight .10000E+01 volume .58788E-02 ppm1 8.286 ppm2 4.273 CV 1
OR { 67}
(( segid "B " and resid 156 and name H ))
(( segid "B " and resid 156 and name HA ))
ASSI { 185}
(( segid "B " and resid 154 and name H ))
(( segid "B " and resid 154 and name HB2 ))
2.700 .900 .900 peak 185 spectrum 1 weight .10000E+01 volume .28303E-02 ppm1 7.926 ppm2 3.044 CV 1
OR { 185}
(( segid "B " and resid 154 and name H ))
(( segid "B " and resid 153 and name HB2 ))
ASSI { 122}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 149 and name HB3 ))
3.500 1.600 1.600 peak 122 spectrum 1 weight .10000E+01 volume .95693E-03 ppm1 8.712 ppm2 2.662 CV 1
OR { 122}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 149 and name HB2 ))
OR { 122}
(( segid "B " and resid 146 and name H ))
(( segid "B " and resid 148 and name HB3 ))
ASSI { 78}
(( segid "B " and resid 119 and name H ))
(( segid "B " and resid 119 and name HA ))
2.900 1.100 1.100 peak 78 spectrum 1 weight .10000E+01 volume .15679E-02 ppm1 8.266 ppm2 4.562 CV 1
OR { 78}
(( segid "B " and resid 121 and name H ))
(( segid "B " and resid 121 and name HA ))
ASSI { 130}
(( segid "B " and resid 123 and name H ))
( segid "B " and resid 122 and name HD1%)
3.500 1.500 1.500 peak 130 spectrum 1 weight .10000E+01 volume .52055E-03 ppm1 7.849 ppm2 .820 CV 1
OR { 130}
(( segid "B " and resid 123 and name H ))
( segid "B " and resid 125 and name HD2%)
ASSI { 118}
(( segid "B " and resid 146 and name H ))
( segid "B " and resid 145 and name HD2%)
3.800 1.800 1.800 peak 118 spectrum 1 weight .10000E+01 volume .94133E-03 ppm1 8.714 ppm2 .824 CV 1
OR { 118}
(( segid "B " and resid 146 and name H ))
( segid "B " and resid 150 and name HG2%)
OR { 118}
(( segid "B " and resid 146 and name H ))
( segid "B " and resid 145 and name HD1%)
ASSI { 206}
(( segid "B " and resid 121 and name H ))
(( segid "B " and resid 120 and name HA ))
2.900 1.000 1.000 peak 206 spectrum 1 weight .10000E+01 volume .26464E-02 ppm1 8.267 ppm2 4.253 CV 1
OR { 206}
(( segid "B " and resid 119 and name H ))
(( segid "B " and resid 118 and name HA ))
OR { 206}
(( segid "B " and resid 121 and name H ))
(( segid "B " and resid 118 and name HA ))
OR { 206}
(( segid "B " and resid 119 and name H ))
(( segid "B " and resid 116 and name HA ))
ASSI { 241}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 149 and name HB3 ))
2.600 .800 .800 peak 241 spectrum 1 weight .10000E+01 volume .39462E-02 ppm1 7.938 ppm2 2.668 CV 1
OR { 241}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 148 and name HB3 ))
OR { 241}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 149 and name HB2 ))
ASSI { 196}
(( segid "B " and resid 131 and name H ))
(( segid "B " and resid 130 and name H ))
3.300 1.400 1.400 peak 196 spectrum 1 weight .10000E+01 volume .11315E-02 ppm1 8.036 ppm2 8.276 CV 1
OR { 196}
(( segid "B " and resid 131 and name H ))
(( segid "B " and resid 132 and name H ))
ASSI { 49}
(( segid "B " and resid 150 and name H ))
(( segid "B " and resid 151 and name H ))
2.800 1.000 1.000 peak 49 spectrum 1 weight .10000E+01 volume .20323E-02 ppm1 7.755 ppm2 8.161 CV 1
OR { 49}
(( segid "B " and resid 150 and name H ))
(( segid "B " and resid 148 and name H ))
ASSI { 18}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 121 and name HA ))
2.800 1.000 1.000 peak 18 spectrum 1 weight .10000E+01 volume .33103E-02 ppm1 7.932 ppm2 4.541 CV 1
OR { 18}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 119 and name HA ))
ASSI { 51}
(( segid "B " and resid 120 and name H ))
(( segid "B " and resid 121 and name H ))
3.600 1.700 1.700 peak 51 spectrum 1 weight .10000E+01 volume .35534E-03 ppm1 8.121 ppm2 8.287 CV 1
OR { 51}
(( segid "B " and resid 120 and name H ))
(( segid "B " and resid 119 and name H ))
ASSI { 17}
(( segid "B " and resid 129 and name HD22))
( segid "B " and resid 131 and name HG2%)
3.800 1.800 1.800 peak 17 spectrum 1 weight .10000E+01 volume .81665E-03 ppm1 6.790 ppm2 .898 CV 1
OR { 17}
(( segid "B " and resid 129 and name HD22))
( segid "B " and resid 131 and name HG1%)
OR { 17}
(( segid "B " and resid 129 and name HD22))
( segid "B " and resid 132 and name HD1%)
ASSI { 152}
(( segid "B " and resid 137 and name H ))
(( segid "B " and resid 136 and name HA ))
2.600 .900 .900 peak 152 spectrum 1 weight .10000E+01 volume .27929E-02 ppm1 8.346 ppm2 4.422 CV 1
OR { 152}
(( segid "B " and resid 137 and name H ))
(( segid "B " and resid 137 and name HA ))
ASSI { 37}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 120 and name HA ))
3.900 1.900 1.900 peak 37 spectrum 1 weight .10000E+01 volume .45821E-03 ppm1 7.932 ppm2 4.267 CV 1
OR { 37}
(( segid "B " and resid 122 and name H ))
(( segid "B " and resid 118 and name HA ))
ASSI { 238}
(( segid "B " and resid 138 and name H ))
(( segid "B " and resid 138 and name HA ))
3.000 1.200 1.200 peak 238 spectrum 1 weight .10000E+01 volume .16801E-02 ppm1 8.386 ppm2 4.355 CV 1
OR { 238}
(( segid "B " and resid 138 and name H ))
(( segid "B " and resid 137 and name HA ))
ASSI { 69}
(( segid "B " and resid 123 and name HE1 ))
(( segid "B " and resid 121 and name HA ))
4.300 2.300 1.700 peak 69 spectrum 1 weight .10000E+01 volume .43639E-03 ppm1 10.178 ppm2 4.533 CV 1
OR { 69}
(( segid "B " and resid 123 and name HE1 ))
(( segid "B " and resid 123 and name HA ))
ASSI { 137}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 123 and name HA ))
2.700 .900 .900 peak 137 spectrum 1 weight .10000E+01 volume .31264E-02 ppm1 7.850 ppm2 4.507 CV 1
OR { 137}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 121 and name HA ))
ASSI { 10}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 151 and name HB3 ))
2.500 .800 .800 peak 10 spectrum 1 weight .10000E+01 volume .52801E-02 ppm1 8.167 ppm2 1.872 CV 1
OR { 10}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 150 and name HB ))
ASSI { 39}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 146 and name HB2 ))
4.500 2.500 1.500 peak 39 spectrum 1 weight .10000E+01 volume .41457E-03 ppm1 7.940 ppm2 3.866 CV 1
OR { 39}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 150 and name HA ))
ASSI { 24}
(( segid "B " and resid 120 and name H ))
(( segid "B " and resid 120 and name HA ))
3.600 1.600 1.600 peak 24 spectrum 1 weight .10000E+01 volume .53614E-03 ppm1 8.114 ppm2 4.292 CV 1
OR { 24}
(( segid "B " and resid 120 and name H ))
(( segid "B " and resid 118 and name HA ))
ASSI { 195}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 143 and name H ))
2.800 1.000 1.000 peak 195 spectrum 1 weight .10000E+01 volume .24157E-02 ppm1 8.145 ppm2 8.001 CV 1
OR { 195}
(( segid "B " and resid 144 and name H ))
(( segid "B " and resid 145 and name H ))
ASSI { 140}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 123 and name H ))
2.300 .700 .700 peak 140 spectrum 1 weight .10000E+01 volume .44261E-02 ppm1 7.563 ppm2 7.848 CV 1
OR { 140}
(( segid "B " and resid 124 and name H ))
(( segid "B " and resid 125 and name H ))
ASSI { 73}
(( segid "B " and resid 125 and name H ))
( segid "B " and resid 125 and name HD2%)
3.900 1.900 1.900 peak 73 spectrum 1 weight .10000E+01 volume .13933E-02 ppm1 7.826 ppm2 .873 CV 1
OR { 73}
(( segid "B " and resid 125 and name H ))
( segid "B " and resid 125 and name HD1%)
OR { 73}
(( segid "B " and resid 125 and name H ))
( segid "B " and resid 126 and name HD1%)
ASSI { 138}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 158 and name HD3 ))
4.100 2.100 1.900 peak 138 spectrum 1 weight .10000E+01 volume .10910E-02 ppm1 8.397 ppm2 3.594 CV 1
OR { 138}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 160 and name HD2 ))
OR { 138}
(( segid "B " and resid 159 and name H ))
(( segid "B " and resid 160 and name HD3 ))
ASSI { 135}
(( segid "B " and resid 129 and name HD21))
(( segid "B " and resid 129 and name HB2 ))
2.400 .700 .700 peak 135 spectrum 1 weight .10000E+01 volume .51869E-02 ppm1 7.556 ppm2 2.728 CV 1
OR { 135}
(( segid "B " and resid 130 and name HD21))
(( segid "B " and resid 130 and name HB3 ))
ASSI { 186}
(( segid "B " and resid 156 and name H ))
(( segid "B " and resid 156 and name HB3 ))
2.900 1.100 1.100 peak 186 spectrum 1 weight .10000E+01 volume .28521E-02 ppm1 8.293 ppm2 1.891 CV 1
OR { 186}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 134 and name HB2 ))
ASSI { 25}
(( segid "B " and resid 118 and name H ))
(( segid "B " and resid 118 and name HA ))
2.700 .900 .900 peak 25 spectrum 1 weight .10000E+01 volume .37280E-02 ppm1 8.124 ppm2 4.258 CV 1
OR { 25}
(( segid "B " and resid 118 and name H ))
(( segid "B " and resid 117 and name HA ))
ASSI { 177}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 128 and name HG3 ))
3.400 1.500 1.500 peak 177 spectrum 1 weight .10000E+01 volume .20853E-02 ppm1 8.721 ppm2 2.251 CV 1
OR { 177}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 128 and name HG2 ))
OR { 177}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 127 and name HB3 ))
ASSI { 220}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 128 and name HB3 ))
2.700 .900 .900 peak 220 spectrum 1 weight .10000E+01 volume .39306E-02 ppm1 8.722 ppm2 1.963 CV 1
OR { 220}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 128 and name HB2 ))
OR { 220}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 127 and name HB2 ))
ASSI { 231}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 134 and name HB3 ))
3.300 1.400 1.400 peak 231 spectrum 1 weight .10000E+01 volume .18952E-02 ppm1 8.293 ppm2 2.223 CV 1
OR { 231}
(( segid "B " and resid 156 and name H ))
(( segid "B " and resid 156 and name HG2 ))
OR { 231}
(( segid "B " and resid 156 and name H ))
(( segid "B " and resid 156 and name HG3 ))
ASSI { 164}
(( segid "B " and resid 130 and name H ))
(( segid "B " and resid 130 and name HB3 ))
3.800 1.800 1.800 peak 164 spectrum 1 weight .10000E+01 volume .74808E-03 ppm1 8.293 ppm2 2.751 CV 1
OR { 164}
(( segid "B " and resid 130 and name H ))
(( segid "B " and resid 129 and name HB2 ))
ASSI { 110}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 129 and name H ))
3.800 1.800 1.800 peak 110 spectrum 1 weight .10000E+01 volume .83538E-03 ppm1 8.724 ppm2 8.269 CV 1
OR { 110}
(( segid "B " and resid 128 and name H ))
(( segid "B " and resid 130 and name H ))
ASSI { 87}
(( segid "B " and resid 120 and name H ))
(( segid "B " and resid 119 and name HA ))
3.500 1.500 1.500 peak 87 spectrum 1 weight .10000E+01 volume .87590E-03 ppm1 8.117 ppm2 4.567 CV 1
OR { 87}
(( segid "B " and resid 120 and name H ))
(( segid "B " and resid 121 and name HA ))
ASSI { 102}
(( segid "B " and resid 126 and name H ))
(( segid "B " and resid 126 and name HB2 ))
2.600 .800 .800 peak 102 spectrum 1 weight .10000E+01 volume .66051E-02 ppm1 7.891 ppm2 1.638 CV 1
OR { 102}
(( segid "B " and resid 126 and name H ))
(( segid "B " and resid 125 and name HB2 ))
OR { 102}
(( segid "B " and resid 126 and name H ))
(( segid "B " and resid 125 and name HB3 ))
ASSI { 61}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 152 and name H ))
2.800 1.000 1.000 peak 61 spectrum 1 weight .10000E+01 volume .22848E-02 ppm1 8.167 ppm2 7.966 CV 1
OR { 61}
(( segid "B " and resid 151 and name H ))
(( segid "B " and resid 149 and name H ))
ASSI { 83}
(( segid "B " and resid 130 and name HD21))
( segid "B " and resid 132 and name HD2%)
3.400 1.500 1.500 peak 83 spectrum 1 weight .10000E+01 volume .10068E-02 ppm1 7.556 ppm2 .899 CV 1
OR { 83}
(( segid "B " and resid 130 and name HD21))
( segid "B " and resid 132 and name HD1%)
OR { 83}
(( segid "B " and resid 130 and name HD21))
( segid "B " and resid 131 and name HG2%)
OR { 83}
(( segid "B " and resid 129 and name HD21))
( segid "B " and resid 131 and name HG2%)
OR { 83}
(( segid "B " and resid 129 and name HD21))
( segid "B " and resid 131 and name HG1%)
ASSI { 105}
(( segid "B " and resid 121 and name H ))
(( segid "B " and resid 120 and name H ))
3.400 1.400 1.400 peak 105 spectrum 1 weight .10000E+01 volume .53614E-03 ppm1 8.269 ppm2 8.100 CV 1
OR { 105}
(( segid "B " and resid 119 and name H ))
(( segid "B " and resid 118 and name H ))
OR { 105}
(( segid "B " and resid 119 and name H ))
(( segid "B " and resid 120 and name H ))
ASSI { 79}
(( segid "B " and resid 156 and name H ))
(( segid "B " and resid 156 and name HB2 ))
3.200 1.300 1.300 peak 79 spectrum 1 weight .10000E+01 volume .16458E-02 ppm1 8.290 ppm2 2.011 CV 1
OR { 79}
(( segid "B " and resid 135 and name H ))
(( segid "B " and resid 134 and name HG2 ))
ASSI { 91}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 142 and name HB3 ))
2.500 .800 .800 peak 91 spectrum 1 weight .10000E+01 volume .72223E-02 ppm1 8.227 ppm2 2.641 CV 1
OR { 91}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 142 and name HB2 ))
OR { 91}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 141 and name HB2 ))
ASSI { 36}
(( segid "B " and resid 144 and name H ))
( segid "B " and resid 143 and name HD2%)
4.300 2.300 1.700 peak 36 spectrum 1 weight .10000E+01 volume .65146E-03 ppm1 8.147 ppm2 .787 CV 1
OR { 36}
(( segid "B " and resid 144 and name H ))
( segid "A " and resid 19 and name HG1%)
ASSI { 65}
(( segid "B " and resid 154 and name H ))
(( segid "B " and resid 154 and name HA ))
2.900 1.100 1.100 peak 65 spectrum 1 weight .10000E+01 volume .19606E-02 ppm1 7.926 ppm2 4.593 CV 1
OR { 65}
(( segid "B " and resid 154 and name H ))
(( segid "B " and resid 153 and name HA ))
ASSI { 237}
(( segid "B " and resid 130 and name HD22))
( segid "B " and resid 132 and name HD2%)
3.200 1.200 1.200 peak 237 spectrum 1 weight .10000E+01 volume .43950E-03 ppm1 6.907 ppm2 .895 CV 1
OR { 237}
(( segid "B " and resid 130 and name HD22))
( segid "B " and resid 132 and name HD1%)
OR { 237}
(( segid "B " and resid 130 and name HD22))
( segid "B " and resid 131 and name HG2%)
OR { 237}
(( segid "B " and resid 116 and name HE21))
( segid "B " and resid 114 and name HD1%)
ASSI { 112}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 122 and name HA ))
3.100 1.200 1.200 peak 112 spectrum 1 weight .10000E+01 volume .21196E-02 ppm1 7.850 ppm2 4.062 CV 1
OR { 112}
(( segid "B " and resid 123 and name H ))
(( segid "B " and resid 124 and name HA ))
ASSI { 32}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 149 and name HA ))
2.700 .900 .900 peak 32 spectrum 1 weight .10000E+01 volume .41987E-02 ppm1 7.939 ppm2 4.478 CV 1
OR { 32}
(( segid "B " and resid 149 and name H ))
(( segid "B " and resid 148 and name HA ))
ASSI { 182}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 140 and name HB2 ))
3.400 1.400 1.400 peak 182 spectrum 1 weight .10000E+01 volume .60780E-03 ppm1 8.233 ppm2 2.023 CV 1
OR { 182}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 144 and name HB2 ))
OR { 182}
(( segid "B " and resid 142 and name H ))
( segid "B " and resid 144 and name HE% )
OR { 182}
(( segid "B " and resid 142 and name H ))
(( segid "B " and resid 144 and name HB3 ))
ASSI { 93}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 152 and name HG2 ))
3.200 1.300 1.300 peak 93 spectrum 1 weight .10000E+01 volume .20853E-02 ppm1 7.969 ppm2 2.131 CV 1
OR { 93}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 152 and name HG3 ))
OR { 93}
(( segid "B " and resid 152 and name H ))
(( segid "B " and resid 151 and name HG2 ))
ASSI { 543}
(( segid "B " and resid 134 and name HA ))
( segid "B " and resid 135 and name HD2%)
3.500 1.500 1.500 peak 543 spectrum 1 weight .10000E+01 volume .23767E-02 ppm1 4.444 ppm2 .921 CV 1
OR { 543}
(( segid "B " and resid 134 and name HA ))
( segid "B " and resid 135 and name HD1%)
OR { 543}
(( segid "B " and resid 136 and name HA ))
( segid "B " and resid 135 and name HD1%)
ASSI { 72}
(( segid "B " and resid 154 and name HA ))
(( segid "B " and resid 154 and name H ))
2.800 1.000 1.000 peak 72 spectrum 1 weight .10000E+01 volume .28269E-02 ppm1 4.654 ppm2 7.889 CV 1
OR { 72}
(( segid "B " and resid 154 and name HA ))
(( segid "B " and resid 155 and name H ))
ASSI { 493}
(( segid "B " and resid 123 and name HB3 ))
( segid "B " and resid 126 and name HD1%)
4.400 2.400 1.600 peak 493 spectrum 1 weight .10000E+01 volume .65959E-03 ppm1 3.253 ppm2 .886 CV 1
OR { 493}
(( segid "B " and resid 123 and name HB3 ))
( segid "B " and resid 126 and name HD2%)
OR { 493}
(( segid "B " and resid 123 and name HB3 ))
( segid "B " and resid 125 and name HD1%)
ASSI { 149}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 125 and name H ))
3.800 1.800 1.800 peak 149 spectrum 1 weight .10000E+01 volume .12302E-02 ppm1 7.531 ppm2 7.863 CV 1
OR { 149}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 126 and name H ))
OR { 149}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 123 and name H ))
ASSI { 379}
( segid "B " and resid 114 and name HD1%)
(( segid "B " and resid 115 and name H ))
3.800 1.800 1.800 peak 379 spectrum 1 weight .10000E+01 volume .14239E-02 ppm1 .937 ppm2 8.322 CV 1
OR { 379}
( segid "B " and resid 132 and name HD1%)
(( segid "B " and resid 132 and name H ))
OR { 379}
( segid "B " and resid 135 and name HD1%)
(( segid "B " and resid 135 and name H ))
OR { 379}
( segid "B " and resid 114 and name HD1%)
(( segid "B " and resid 114 and name H ))
ASSI { 537}
(( segid "B " and resid 153 and name HE3 ))
( segid "B " and resid 150 and name HG2%)
4.100 2.100 1.900 peak 537 spectrum 1 weight .10000E+01 volume .43974E-03 ppm1 7.412 ppm2 .810 CV 1
OR { 537}
(( segid "B " and resid 153 and name HE3 ))
( segid "B " and resid 145 and name HD1%)
OR { 537}
(( segid "B " and resid 153 and name HE3 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 146}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 152 and name HB3 ))
3.300 3.300 2.700 peak 146 spectrum 1 weight .10000E+01 volume .37692E-03 ppm1 7.418 ppm2 1.880 CV 1
OR { 146}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 152 and name HB2 ))
OR { 146}
(( segid "B " and resid 153 and name HE3 ))
(( segid "A " and resid 27 and name HB2 ))
OR { 146}
(( segid "B " and resid 153 and name HE3 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 146}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 156 and name HB3 ))
ASSI { 508}
(( segid "B " and resid 127 and name HD3 ))
(( segid "B " and resid 126 and name HB2 ))
3.100 1.200 1.200 peak 508 spectrum 1 weight .10000E+01 volume .52139E-02 ppm1 3.644 ppm2 1.573 CV 1
OR { 508}
(( segid "B " and resid 136 and name HD3 ))
(( segid "B " and resid 135 and name HB2 ))
OR { 508}
(( segid "B " and resid 127 and name HD3 ))
(( segid "B " and resid 126 and name HB3 ))
ASSI { 552}
(( segid "B " and resid 144 and name HG3 ))
(( segid "B " and resid 145 and name HG ))
3.800 1.800 1.800 peak 552 spectrum 1 weight .10000E+01 volume .69626E-03 ppm1 2.462 ppm2 1.635 CV 1
OR { 552}
(( segid "B " and resid 144 and name HG3 ))
(( segid "B " and resid 143 and name HB3 ))
OR { 552}
(( segid "B " and resid 144 and name HG3 ))
(( segid "B " and resid 145 and name HB3 ))
ASSI { 264}
(( segid "B " and resid 158 and name HD2 ))
(( segid "B " and resid 158 and name HB3 ))
3.300 1.300 1.300 peak 264 spectrum 1 weight .10000E+01 volume .40362E-02 ppm1 3.756 ppm2 2.214 CV 1
OR { 264}
(( segid "B " and resid 134 and name HD2 ))
(( segid "B " and resid 134 and name HB3 ))
ASSI { 431}
(( segid "B " and resid 146 and name HB3 ))
(( segid "B " and resid 148 and name HB3 ))
3.900 1.900 1.900 peak 431 spectrum 1 weight .10000E+01 volume .58633E-03 ppm1 3.984 ppm2 2.649 CV 1
OR { 431}
(( segid "B " and resid 146 and name HB3 ))
(( segid "B " and resid 149 and name HB3 ))
OR { 431}
(( segid "B " and resid 146 and name HB3 ))
(( segid "B " and resid 149 and name HB2 ))
ASSI { 539}
(( segid "B " and resid 158 and name HB3 ))
(( segid "B " and resid 158 and name HD2 ))
3.100 1.200 1.200 peak 539 spectrum 1 weight .10000E+01 volume .46435E-02 ppm1 2.229 ppm2 3.744 CV 1
OR { 539}
(( segid "B " and resid 134 and name HB3 ))
(( segid "B " and resid 134 and name HD2 ))
OR { 539}
(( segid "B " and resid 147 and name HB2 ))
(( segid "B " and resid 147 and name HD2 ))
ASSI { 593}
(( segid "B " and resid 122 and name HB3 ))
(( segid "B " and resid 122 and name H ))
3.400 1.500 1.500 peak 593 spectrum 1 weight .10000E+01 volume .22458E-02 ppm1 1.378 ppm2 7.903 CV 1
OR { 593}
(( segid "B " and resid 122 and name HB3 ))
(( segid "B " and resid 123 and name H ))
ASSI { 24}
( segid "B " and resid 122 and name HD1%)
(( segid "B " and resid 119 and name HB3 ))
3.700 1.700 1.700 peak 24 spectrum 1 weight .10000E+01 volume .88995E-03 ppm1 .850 ppm2 3.029 CV 1
OR { 24}
( segid "B " and resid 145 and name HD1%)
(( segid "B " and resid 154 and name HB2 ))
ASSI { 116}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 125 and name H ))
3.900 1.900 1.900 peak 116 spectrum 1 weight .10000E+01 volume .76430E-03 ppm1 1.624 ppm2 7.836 CV 1
OR { 116}
(( segid "B " and resid 124 and name HB2 ))
(( segid "B " and resid 123 and name H ))
ASSI { 328}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 125 and name HG ))
3.000 1.200 1.200 peak 328 spectrum 1 weight .10000E+01 volume .19945E-02 ppm1 4.496 ppm2 1.681 CV 1
OR { 328}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 125 and name HB2 ))
OR { 328}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 124 and name HB3 ))
ASSI { 386}
(( segid "B " and resid 128 and name HB2 ))
( segid "B " and resid 126 and name HD1%)
3.100 1.200 1.200 peak 386 spectrum 1 weight .10000E+01 volume .11988E-02 ppm1 2.020 ppm2 .901 CV 1
OR { 386}
(( segid "B " and resid 128 and name HB2 ))
( segid "B " and resid 131 and name HG2%)
OR { 386}
(( segid "B " and resid 128 and name HB2 ))
( segid "B " and resid 131 and name HG1%)
ASSI { 39}
(( segid "B " and resid 158 and name HD2 ))
(( segid "B " and resid 159 and name H ))
3.200 1.200 1.200 peak 39 spectrum 1 weight .10000E+01 volume .10941E-02 ppm1 3.748 ppm2 8.393 CV 1
OR { 39}
(( segid "B " and resid 158 and name HD2 ))
(( segid "B " and resid 157 and name H ))
ASSI { 268}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 153 and name HZ3 ))
3.800 1.800 1.800 peak 268 spectrum 1 weight .10000E+01 volume .68053E-03 ppm1 .817 ppm2 6.958 CV 1
OR { 268}
( segid "B " and resid 145 and name HD2%)
( segid "A " and resid 37 and name HE% )
OR { 268}
( segid "B " and resid 145 and name HD2%)
( segid "A " and resid 40 and name HD% )
ASSI { 421}
( segid "B " and resid 135 and name HD2%)
(( segid "B " and resid 136 and name HD3 ))
4.000 2.000 2.000 peak 421 spectrum 1 weight .10000E+01 volume .23819E-02 ppm1 .902 ppm2 3.661 CV 1
OR { 421}
( segid "B " and resid 126 and name HD2%)
(( segid "B " and resid 127 and name HD3 ))
ASSI { 450}
(( segid "B " and resid 124 and name HB2 ))
( segid "B " and resid 125 and name HD2%)
3.800 1.800 1.800 peak 450 spectrum 1 weight .10000E+01 volume .94752E-03 ppm1 1.618 ppm2 .882 CV 1
OR { 450}
(( segid "B " and resid 124 and name HB2 ))
( segid "B " and resid 126 and name HD1%)
OR { 450}
(( segid "B " and resid 124 and name HB2 ))
( segid "B " and resid 125 and name HD1%)
ASSI { 11}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 149 and name H ))
4.200 2.200 1.800 peak 11 spectrum 1 weight .10000E+01 volume .67531E-03 ppm1 .769 ppm2 7.957 CV 1
OR { 11}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 154 and name H ))
ASSI { 99}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 149 and name H ))
4.100 2.100 1.900 peak 99 spectrum 1 weight .10000E+01 volume .94230E-03 ppm1 .799 ppm2 7.926 CV 1
OR { 99}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 154 and name H ))
OR { 99}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 152 and name H ))
ASSI { 187}
(( segid "B " and resid 140 and name HA ))
(( segid "B " and resid 141 and name H ))
2.700 .900 .900 peak 187 spectrum 1 weight .10000E+01 volume .39524E-02 ppm1 4.437 ppm2 8.232 CV 1
OR { 187}
(( segid "B " and resid 140 and name HA ))
(( segid "B " and resid 142 and name H ))
ASSI { 597}
(( segid "B " and resid 152 and name HA ))
(( segid "B " and resid 152 and name H ))
2.800 .900 .900 peak 597 spectrum 1 weight .10000E+01 volume .33818E-02 ppm1 4.122 ppm2 7.918 CV 1
OR { 597}
(( segid "B " and resid 152 and name HA ))
(( segid "B " and resid 153 and name H ))
ASSI { 435}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 158 and name HA ))
3.800 1.800 1.800 peak 435 spectrum 1 weight .10000E+01 volume .73814E-03 ppm1 4.077 ppm2 4.400 CV 1
OR { 435}
(( segid "B " and resid 159 and name HA2 ))
(( segid "B " and resid 160 and name HA ))
ASSI { 400}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name HB2 ))
2.400 .700 .700 peak 400 spectrum 1 weight .10000E+01 volume .11030E-01 ppm1 4.060 ppm2 1.600 CV 1
OR { 400}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name HD2 ))
OR { 400}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name HD3 ))
OR { 400}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 125 and name HG ))
ASSI { 284}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 154 and name H ))
3.800 1.800 1.800 peak 284 spectrum 1 weight .10000E+01 volume .85332E-03 ppm1 1.815 ppm2 7.945 CV 1
OR { 284}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 152 and name H ))
OR { 284}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 149 and name H ))
ASSI { 261}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 123 and name HE3 ))
3.900 1.900 1.900 peak 261 spectrum 1 weight .10000E+01 volume .18637E-02 ppm1 3.261 ppm2 7.543 CV 1
OR { 261}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 124 and name H ))
ASSI { 358}
(( segid "B " and resid 142 and name HA ))
(( segid "B " and resid 143 and name H ))
2.400 .700 .700 peak 358 spectrum 1 weight .10000E+01 volume .66537E-02 ppm1 4.535 ppm2 8.025 CV 1
OR { 358}
(( segid "B " and resid 141 and name HA ))
(( segid "B " and resid 143 and name H ))
ASSI { 383}
(( segid "B " and resid 121 and name HB2 ))
( segid "B " and resid 122 and name HD2%)
3.300 1.400 1.400 peak 383 spectrum 1 weight .10000E+01 volume .19317E-02 ppm1 2.616 ppm2 .823 CV 1
OR { 383}
(( segid "B " and resid 142 and name HB2 ))
( segid "B " and resid 143 and name HD2%)
OR { 383}
(( segid "B " and resid 121 and name HB2 ))
( segid "B " and resid 122 and name HD1%)
OR { 383}
(( segid "B " and resid 142 and name HB2 ))
( segid "B " and resid 143 and name HD1%)
ASSI { 466}
( segid "B " and resid 150 and name HD1%)
( segid "B " and resid 154 and name HD% )
3.100 1.200 1.200 peak 466 spectrum 1 weight .10000E+01 volume .16438E-02 ppm1 .771 ppm2 7.124 CV 1
OR { 466}
( segid "B " and resid 150 and name HD1%)
(( segid "A " and resid 37 and name HZ ))
ASSI { 531}
(( segid "B " and resid 154 and name HB2 ))
(( segid "B " and resid 154 and name H ))
3.100 1.200 1.200 peak 531 spectrum 1 weight .10000E+01 volume .14239E-02 ppm1 3.074 ppm2 7.906 CV 1
OR { 531}
(( segid "B " and resid 154 and name HB2 ))
(( segid "B " and resid 155 and name H ))
ASSI { 34}
(( segid "B " and resid 140 and name HG2 ))
(( segid "B " and resid 147 and name HD3 ))
3.100 3.100 2.900 peak 34 spectrum 1 weight .10000E+01 volume .65437E-03 ppm1 2.566 ppm2 3.688 CV 1
OR { 34}
(( segid "B " and resid 140 and name HG2 ))
(( segid "A " and resid 41 and name HB2 ))
OR { 34}
(( segid "B " and resid 140 and name HG2 ))
(( segid "A " and resid 41 and name HB3 ))
ASSI { 482}
(( segid "B " and resid 145 and name HB3 ))
(( segid "B " and resid 145 and name HA ))
2.400 .700 .700 peak 482 spectrum 1 weight .10000E+01 volume .61929E-02 ppm1 1.643 ppm2 4.389 CV 1
OR { 482}
(( segid "B " and resid 132 and name HB2 ))
(( segid "B " and resid 132 and name HA ))
ASSI { 254}
( segid "B " and resid 154 and name HD% )
(( segid "B " and resid 155 and name H ))
3.500 1.500 1.500 peak 254 spectrum 1 weight .10000E+01 volume .14291E-02 ppm1 7.175 ppm2 7.909 CV 1
OR { 254}
( segid "B " and resid 154 and name HD% )
(( segid "B " and resid 154 and name H ))
ASSI { 365}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 125 and name H ))
2.400 .700 .700 peak 365 spectrum 1 weight .10000E+01 volume .68786E-02 ppm1 4.061 ppm2 7.849 CV 1
OR { 365}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 126 and name H ))
OR { 365}
(( segid "B " and resid 122 and name HA ))
(( segid "B " and resid 123 and name H ))
ASSI { 505}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 145 and name HG ))
1.900 .500 .500 peak 505 spectrum 1 weight .10000E+01 volume .22474E-01 ppm1 .837 ppm2 1.603 CV 1
OR { 505}
( segid "B " and resid 125 and name HD2%)
(( segid "B " and resid 125 and name HG ))
OR { 505}
( segid "B " and resid 125 and name HD2%)
(( segid "B " and resid 125 and name HB3 ))
OR { 505}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 145 and name HB3 ))
OR { 505}
( segid "B " and resid 125 and name HD2%)
(( segid "B " and resid 125 and name HB2 ))
ASSI { 433}
(( segid "B " and resid 142 and name HB3 ))
(( segid "B " and resid 142 and name HA ))
2.300 .600 .600 peak 433 spectrum 1 weight .10000E+01 volume .96112E-02 ppm1 2.688 ppm2 4.526 CV 1
OR { 433}
(( segid "B " and resid 148 and name HB3 ))
(( segid "B " and resid 148 and name HA ))
OR { 433}
(( segid "B " and resid 121 and name HB3 ))
(( segid "B " and resid 121 and name HA ))
OR { 433}
(( segid "B " and resid 149 and name HB3 ))
(( segid "B " and resid 149 and name HA ))
ASSI { 350}
( segid "B " and resid 126 and name HD1%)
(( segid "B " and resid 126 and name H ))
3.000 1.100 1.100 peak 350 spectrum 1 weight .10000E+01 volume .19422E-02 ppm1 .909 ppm2 7.872 CV 1
OR { 350}
( segid "B " and resid 125 and name HD1%)
(( segid "B " and resid 125 and name H ))
ASSI { 66}
(( segid "B " and resid 126 and name HG ))
( segid "B " and resid 126 and name HD1%)
2.100 .600 .600 peak 66 spectrum 1 weight .10000E+01 volume .11166E-01 ppm1 1.704 ppm2 .903 CV 1
OR { 66}
(( segid "B " and resid 135 and name HG ))
( segid "B " and resid 135 and name HD1%)
OR { 66}
(( segid "B " and resid 126 and name HG ))
( segid "B " and resid 126 and name HD2%)
OR { 66}
(( segid "B " and resid 135 and name HG ))
( segid "B " and resid 135 and name HD2%)
ASSI { 267}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 149 and name HB3 ))
3.100 1.200 1.200 peak 267 spectrum 1 weight .10000E+01 volume .66484E-03 ppm1 .795 ppm2 2.685 CV 1
OR { 267}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 149 and name HB2 ))
OR { 267}
( segid "B " and resid 150 and name HG2%)
(( segid "A " and resid 23 and name HD3 ))
OR { 267}
( segid "B " and resid 150 and name HG2%)
(( segid "A " and resid 23 and name HD2 ))
ASSI { 242}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 153 and name HH2 ))
3.500 1.500 1.500 peak 242 spectrum 1 weight .10000E+01 volume .11360E-02 ppm1 .791 ppm2 7.010 CV 1
OR { 242}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 153 and name HZ3 ))
OR { 242}
( segid "B " and resid 150 and name HG2%)
( segid "A " and resid 37 and name HE% )
ASSI { 337}
( segid "B " and resid 145 and name HD1%)
(( segid "A " and resid 20 and name H ))
3.500 1.500 1.500 peak 337 spectrum 1 weight .10000E+01 volume .92657E-03 ppm1 .862 ppm2 8.145 CV 1
OR { 337}
( segid "B " and resid 143 and name HD1%)
(( segid "B " and resid 144 and name H ))
ASSI { 228}
(( segid "B " and resid 126 and name HB3 ))
(( segid "B " and resid 127 and name HD2 ))
3.200 1.300 1.300 peak 228 spectrum 1 weight .10000E+01 volume .18846E-02 ppm1 1.561 ppm2 3.831 CV 1
OR { 228}
(( segid "B " and resid 135 and name HB2 ))
(( segid "B " and resid 136 and name HD2 ))
ASSI { 423}
(( segid "B " and resid 142 and name HB2 ))
(( segid "B " and resid 140 and name HB2 ))
3.100 1.200 1.200 peak 423 spectrum 1 weight .10000E+01 volume .14082E-02 ppm1 2.610 ppm2 2.004 CV 1
OR { 423}
(( segid "B " and resid 142 and name HB2 ))
(( segid "B " and resid 147 and name HG3 ))
OR { 423}
(( segid "B " and resid 142 and name HB2 ))
(( segid "B " and resid 144 and name HB2 ))
OR { 423}
(( segid "B " and resid 142 and name HB2 ))
(( segid "B " and resid 144 and name HB3 ))
OR { 423}
(( segid "B " and resid 142 and name HB2 ))
( segid "B " and resid 144 and name HE% )
ASSI { 166}
(( segid "B " and resid 129 and name HB3 ))
(( segid "B " and resid 129 and name H ))
3.700 1.700 1.700 peak 166 spectrum 1 weight .10000E+01 volume .59680E-03 ppm1 2.812 ppm2 8.295 CV 1
OR { 166}
(( segid "B " and resid 130 and name HB2 ))
(( segid "B " and resid 130 and name H ))
OR { 166}
(( segid "B " and resid 129 and name HB3 ))
(( segid "B " and resid 130 and name H ))
ASSI { 229}
(( segid "B " and resid 153 and name HB3 ))
(( segid "B " and resid 153 and name H ))
3.000 1.100 1.100 peak 229 spectrum 1 weight .10000E+01 volume .23034E-02 ppm1 3.022 ppm2 7.885 CV 1
OR { 229}
(( segid "B " and resid 153 and name HB2 ))
(( segid "B " and resid 154 and name H ))
OR { 229}
(( segid "B " and resid 153 and name HB2 ))
(( segid "B " and resid 153 and name H ))
OR { 229}
(( segid "B " and resid 153 and name HB3 ))
(( segid "B " and resid 154 and name H ))
ASSI { 332}
(( segid "B " and resid 149 and name HB3 ))
( segid "B " and resid 150 and name HG2%)
3.500 1.500 1.500 peak 332 spectrum 1 weight .10000E+01 volume .18637E-02 ppm1 2.698 ppm2 .821 CV 1
OR { 332}
(( segid "B " and resid 142 and name HB3 ))
( segid "B " and resid 143 and name HD2%)
OR { 332}
(( segid "B " and resid 149 and name HB3 ))
( segid "B " and resid 150 and name HD1%)
OR { 332}
(( segid "B " and resid 148 and name HB3 ))
( segid "B " and resid 150 and name HG2%)
OR { 332}
(( segid "B " and resid 148 and name HB3 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 455}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 124 and name HB2 ))
3.400 1.400 1.400 peak 455 spectrum 1 weight .10000E+01 volume .22615E-02 ppm1 2.604 ppm2 1.590 CV 1
OR { 455}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 124 and name HD3 ))
OR { 455}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 124 and name HD2 ))
OR { 455}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 122 and name HG ))
ASSI { 483}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 123 and name HA ))
3.700 1.700 1.700 peak 483 spectrum 1 weight .10000E+01 volume .16438E-02 ppm1 7.262 ppm2 4.526 CV 1
OR { 483}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 121 and name HA ))
ASSI { 236}
(( segid "B " and resid 119 and name HB2 ))
(( segid "B " and resid 116 and name HA ))
3.400 1.500 1.500 peak 236 spectrum 1 weight .10000E+01 volume .78524E-03 ppm1 3.149 ppm2 4.292 CV 1
OR { 236}
(( segid "B " and resid 119 and name HB2 ))
(( segid "B " and resid 120 and name HA ))
OR { 236}
(( segid "B " and resid 119 and name HB2 ))
(( segid "B " and resid 118 and name HA ))
ASSI { 432}
(( segid "B " and resid 140 and name HB2 ))
(( segid "B " and resid 140 and name HA ))
2.200 .600 .600 peak 432 spectrum 1 weight .10000E+01 volume .95746E-02 ppm1 2.003 ppm2 4.437 CV 1
OR { 432}
(( segid "B " and resid 144 and name HB3 ))
(( segid "B " and resid 144 and name HA ))
OR { 432}
(( segid "B " and resid 144 and name HB2 ))
(( segid "B " and resid 144 and name HA ))
ASSI { 244}
(( segid "B " and resid 133 and name HB3 ))
(( segid "B " and resid 133 and name HA ))
2.400 .700 .700 peak 244 spectrum 1 weight .10000E+01 volume .54498E-02 ppm1 3.885 ppm2 4.770 CV 1
OR { 244}
(( segid "B " and resid 146 and name HB2 ))
(( segid "B " and resid 146 and name HA ))
ASSI { 457}
(( segid "B " and resid 130 and name HB3 ))
( segid "B " and resid 132 and name HD2%)
3.500 1.600 1.600 peak 457 spectrum 1 weight .10000E+01 volume .10470E-02 ppm1 2.715 ppm2 .913 CV 1
OR { 457}
(( segid "B " and resid 130 and name HB3 ))
( segid "B " and resid 132 and name HD1%)
OR { 457}
(( segid "B " and resid 130 and name HB3 ))
( segid "B " and resid 131 and name HG2%)
ASSI { 385}
(( segid "B " and resid 135 and name HG ))
(( segid "B " and resid 136 and name HD2 ))
3.500 1.500 1.500 peak 385 spectrum 1 weight .10000E+01 volume .81144E-03 ppm1 1.704 ppm2 3.838 CV 1
OR { 385}
(( segid "B " and resid 126 and name HG ))
(( segid "B " and resid 127 and name HD2 ))
ASSI { 344}
( segid "B " and resid 126 and name HD2%)
(( segid "B " and resid 127 and name HD2 ))
3.500 1.500 1.500 peak 344 spectrum 1 weight .10000E+01 volume .24343E-02 ppm1 .902 ppm2 3.819 CV 1
OR { 344}
( segid "B " and resid 135 and name HD2%)
(( segid "B " and resid 136 and name HD2 ))
ASSI { 252}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 151 and name H ))
3.600 1.600 1.600 peak 252 spectrum 1 weight .10000E+01 volume .51825E-03 ppm1 1.060 ppm2 8.172 CV 1
OR { 252}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 148 and name H ))
ASSI { 2}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 145 and name HA ))
3.200 1.300 1.300 peak 2 spectrum 1 weight .10000E+01 volume .72241E-03 ppm1 .772 ppm2 4.438 CV 1
OR { 2}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 148 and name HA ))
ASSI { 413}
(( segid "B " and resid 127 and name HD2 ))
(( segid "B " and resid 126 and name HB2 ))
2.700 .900 .900 peak 413 spectrum 1 weight .10000E+01 volume .30049E-02 ppm1 3.828 ppm2 1.579 CV 1
OR { 413}
(( segid "B " and resid 127 and name HD2 ))
(( segid "B " and resid 126 and name HB3 ))
OR { 413}
(( segid "B " and resid 136 and name HD2 ))
(( segid "B " and resid 135 and name HB2 ))
ASSI { 190}
(( segid "B " and resid 125 and name HB3 ))
(( segid "B " and resid 125 and name HA ))
2.200 .600 .600 peak 190 spectrum 1 weight .10000E+01 volume .77008E-02 ppm1 1.578 ppm2 4.312 CV 1
OR { 190}
(( segid "B " and resid 114 and name HB3 ))
(( segid "B " and resid 114 and name HA ))
ASSI { 410}
(( segid "B " and resid 144 and name HG2 ))
(( segid "B " and resid 144 and name HA ))
3.400 1.400 1.400 peak 410 spectrum 1 weight .10000E+01 volume .19317E-02 ppm1 2.573 ppm2 4.414 CV 1
OR { 410}
(( segid "B " and resid 140 and name HG2 ))
(( segid "B " and resid 140 and name HA ))
ASSI { 88}
( segid "B " and resid 125 and name HD2%)
(( segid "B " and resid 122 and name HA ))
3.600 1.600 1.600 peak 88 spectrum 1 weight .10000E+01 volume .85332E-03 ppm1 .854 ppm2 4.069 CV 1
OR { 88}
( segid "B " and resid 132 and name HD2%)
(( segid "B " and resid 131 and name HA ))
ASSI { 115}
(( segid "B " and resid 123 and name HH2 ))
( segid "B " and resid 126 and name HD2%)
3.000 3.000 3.000 peak 115 spectrum 1 weight .10000E+01 volume .58108E-03 ppm1 7.175 ppm2 .864 CV 1
OR { 115}
(( segid "B " and resid 123 and name HH2 ))
( segid "B " and resid 131 and name HG1%)
ASSI { 61}
(( segid "B " and resid 135 and name HG ))
(( segid "B " and resid 135 and name HA ))
2.900 1.000 1.000 peak 61 spectrum 1 weight .10000E+01 volume .30677E-02 ppm1 1.703 ppm2 4.561 CV 1
OR { 61}
(( segid "B " and resid 126 and name HG ))
(( segid "B " and resid 126 and name HA ))
ASSI { 241}
( segid "B " and resid 125 and name HD1%)
(( segid "B " and resid 123 and name HA ))
3.100 1.200 1.200 peak 241 spectrum 1 weight .10000E+01 volume .20050E-02 ppm1 .911 ppm2 4.501 CV 1
OR { 241}
( segid "B " and resid 114 and name HD1%)
(( segid "B " and resid 115 and name HA ))
ASSI { 278}
(( segid "B " and resid 135 and name HA ))
( segid "B " and resid 135 and name HD1%)
2.200 .600 .600 peak 278 spectrum 1 weight .10000E+01 volume .10904E-01 ppm1 4.581 ppm2 .904 CV 1
OR { 278}
(( segid "B " and resid 135 and name HA ))
( segid "B " and resid 135 and name HD2%)
OR { 278}
(( segid "B " and resid 126 and name HA ))
( segid "B " and resid 126 and name HD2%)
ASSI { 73}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 152 and name H ))
3.500 1.600 1.600 peak 73 spectrum 1 weight .10000E+01 volume .85853E-03 ppm1 3.807 ppm2 7.934 CV 1
OR { 73}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 154 and name H ))
OR { 73}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 149 and name H ))
ASSI { 509}
(( segid "B " and resid 120 and name HB3 ))
(( segid "B " and resid 120 and name H ))
3.400 1.400 1.400 peak 509 spectrum 1 weight .10000E+01 volume .87948E-03 ppm1 3.888 ppm2 8.118 CV 1
OR { 509}
(( segid "B " and resid 146 and name HB2 ))
(( segid "B " and resid 148 and name H ))
ASSI { 318}
( segid "B " and resid 143 and name HD1%)
(( segid "A " and resid 49 and name HE3 ))
3.000 1.100 1.100 peak 318 spectrum 1 weight .10000E+01 volume .75908E-03 ppm1 .865 ppm2 2.954 CV 1
OR { 318}
( segid "B " and resid 143 and name HD1%)
(( segid "A " and resid 49 and name HE2 ))
OR { 318}
( segid "B " and resid 145 and name HD1%)
(( segid "A " and resid 19 and name HA ))
ASSI { 209}
(( segid "B " and resid 129 and name HA ))
(( segid "B " and resid 129 and name HB3 ))
2.300 .700 .700 peak 209 spectrum 1 weight .10000E+01 volume .85226E-02 ppm1 4.719 ppm2 2.819 CV 1
OR { 209}
(( segid "B " and resid 130 and name HA ))
(( segid "B " and resid 130 and name HB2 ))
ASSI { 293}
(( segid "B " and resid 157 and name HB3 ))
(( segid "B " and resid 156 and name HA ))
4.100 2.100 1.900 peak 293 spectrum 1 weight .10000E+01 volume .87426E-03 ppm1 2.501 ppm2 4.261 CV 1
OR { 293}
(( segid "B " and resid 148 and name HB2 ))
(( segid "B " and resid 147 and name HA ))
ASSI { 315}
(( segid "B " and resid 140 and name HA ))
(( segid "B " and resid 140 and name HB2 ))
2.200 .600 .600 peak 315 spectrum 1 weight .10000E+01 volume .10250E-01 ppm1 4.437 ppm2 2.045 CV 1
OR { 315}
(( segid "B " and resid 144 and name HA ))
(( segid "B " and resid 144 and name HB3 ))
OR { 315}
(( segid "B " and resid 140 and name HA ))
(( segid "B " and resid 140 and name HB3 ))
OR { 315}
(( segid "B " and resid 144 and name HA ))
(( segid "B " and resid 144 and name HB2 ))
ASSI { 155}
( segid "B " and resid 126 and name HD2%)
(( segid "B " and resid 126 and name HG ))
2.100 .600 .600 peak 155 spectrum 1 weight .10000E+01 volume .13040E-01 ppm1 .892 ppm2 1.656 CV 1
OR { 155}
( segid "B " and resid 135 and name HD2%)
(( segid "B " and resid 135 and name HG ))
OR { 155}
( segid "B " and resid 132 and name HD2%)
(( segid "B " and resid 132 and name HG ))
OR { 155}
( segid "B " and resid 135 and name HD2%)
(( segid "B " and resid 135 and name HB3 ))
OR { 155}
( segid "B " and resid 126 and name HD2%)
(( segid "B " and resid 126 and name HB2 ))
ASSI { 595}
(( segid "B " and resid 118 and name HB ))
(( segid "B " and resid 117 and name HG2 ))
3.800 1.800 1.800 peak 595 spectrum 1 weight .10000E+01 volume .52872E-03 ppm1 4.147 ppm2 2.177 CV 1
OR { 595}
(( segid "B " and resid 155 and name HB ))
(( segid "B " and resid 156 and name HG2 ))
OR { 595}
(( segid "B " and resid 155 and name HB ))
(( segid "B " and resid 151 and name HG3 ))
ASSI { 20}
(( segid "B " and resid 133 and name HA ))
(( segid "B " and resid 134 and name HD2 ))
2.100 .500 .500 peak 20 spectrum 1 weight .10000E+01 volume .14590E-01 ppm1 4.731 ppm2 3.736 CV 1
OR { 20}
(( segid "B " and resid 146 and name HA ))
(( segid "B " and resid 147 and name HD2 ))
ASSI { 295}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 122 and name HA ))
4.500 2.500 1.500 peak 295 spectrum 1 weight .10000E+01 volume .52872E-03 ppm1 7.262 ppm2 4.052 CV 1
OR { 295}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 124 and name HA ))
ASSI { 439}
(( segid "B " and resid 153 and name HB2 ))
( segid "B " and resid 150 and name HG2%)
4.200 2.200 1.800 peak 439 spectrum 1 weight .10000E+01 volume .51304E-03 ppm1 3.026 ppm2 .814 CV 1
OR { 439}
(( segid "B " and resid 153 and name HB3 ))
( segid "B " and resid 150 and name HG2%)
OR { 439}
(( segid "B " and resid 153 and name HB2 ))
( segid "B " and resid 145 and name HD1%)
OR { 439}
(( segid "B " and resid 153 and name HB2 ))
( segid "B " and resid 150 and name HD1%)
OR { 439}
(( segid "B " and resid 153 and name HB3 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 196}
(( segid "B " and resid 137 and name HB2 ))
(( segid "B " and resid 137 and name H ))
3.400 1.400 1.400 peak 196 spectrum 1 weight .10000E+01 volume .10051E-02 ppm1 3.919 ppm2 8.340 CV 1
OR { 196}
(( segid "B " and resid 137 and name HB2 ))
(( segid "B " and resid 138 and name H ))
ASSI { 530}
(( segid "B " and resid 145 and name HG ))
(( segid "B " and resid 145 and name H ))
2.900 1.000 1.000 peak 530 spectrum 1 weight .10000E+01 volume .28740E-02 ppm1 1.593 ppm2 8.020 CV 1
OR { 530}
(( segid "B " and resid 143 and name HG ))
(( segid "B " and resid 143 and name H ))
ASSI { 557}
( segid "B " and resid 145 and name HD2%)
(( segid "A " and resid 23 and name HD2 ))
3.100 1.200 1.200 peak 557 spectrum 1 weight .10000E+01 volume .20888E-02 ppm1 .815 ppm2 2.650 CV 1
OR { 557}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 149 and name HB3 ))
OR { 557}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 149 and name HB2 ))
ASSI { 216}
(( segid "B " and resid 117 and name HG2 ))
(( segid "B " and resid 118 and name H ))
3.400 1.500 1.500 peak 216 spectrum 1 weight .10000E+01 volume .15600E-02 ppm1 2.193 ppm2 8.174 CV 1
OR { 216}
(( segid "B " and resid 151 and name HG2 ))
(( segid "B " and resid 151 and name H ))
OR { 216}
(( segid "B " and resid 151 and name HG3 ))
(( segid "B " and resid 151 and name H ))
ASSI { 477}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 124 and name H ))
2.600 .900 .900 peak 477 spectrum 1 weight .10000E+01 volume .32457E-02 ppm1 4.058 ppm2 7.555 CV 1
OR { 477}
(( segid "B " and resid 124 and name HA ))
(( segid "B " and resid 123 and name HE3 ))
ASSI { 206}
(( segid "B " and resid 130 and name HB2 ))
(( segid "B " and resid 130 and name HD21))
3.000 1.100 1.100 peak 206 spectrum 1 weight .10000E+01 volume .18061E-02 ppm1 2.814 ppm2 7.558 CV 1
OR { 206}
(( segid "B " and resid 129 and name HB3 ))
(( segid "B " and resid 129 and name HD21))
ASSI { 10}
( segid "B " and resid 145 and name HD1%)
(( segid "B " and resid 145 and name HG ))
1.900 .400 .400 peak 10 spectrum 1 weight .10000E+01 volume .22893E-01 ppm1 .857 ppm2 1.572 CV 1
OR { 10}
( segid "B " and resid 143 and name HD1%)
(( segid "B " and resid 143 and name HG ))
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( segid "B " and resid 122 and name HD1%)
(( segid "B " and resid 122 and name HG ))
OR { 10}
( segid "B " and resid 122 and name HD1%)
(( segid "B " and resid 122 and name HB2 ))
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( segid "B " and resid 143 and name HD1%)
(( segid "B " and resid 143 and name HB2 ))
ASSI { 554}
( segid "B " and resid 145 and name HD1%)
( segid "A " and resid 40 and name HE% )
3.300 1.400 1.400 peak 554 spectrum 1 weight .10000E+01 volume .12040E-02 ppm1 .856 ppm2 6.948 CV 1
OR { 554}
( segid "B " and resid 145 and name HD1%)
(( segid "B " and resid 153 and name HZ3 ))
OR { 554}
( segid "B " and resid 145 and name HD1%)
( segid "A " and resid 40 and name HD% )
ASSI { 173}
( segid "B " and resid 144 and name HE% )
(( segid "A " and resid 18 and name HZ ))
2.800 2.800 3.200 peak 173 spectrum 1 weight .10000E+01 volume .92657E-03 ppm1 2.046 ppm2 7.152 CV 1
OR { 173}
( segid "B " and resid 144 and name HE% )
(( segid "B " and resid 154 and name HZ ))
OR { 173}
( segid "B " and resid 144 and name HE% )
( segid "B " and resid 154 and name HD% )
ASSI { 389}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 149 and name HA ))
4.200 2.200 1.800 peak 389 spectrum 1 weight .10000E+01 volume .79050E-03 ppm1 .790 ppm2 4.491 CV 1
OR { 389}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 148 and name HA ))
ASSI { 189}
( segid "B " and resid 143 and name HD1%)
(( segid "B " and resid 143 and name HA ))
3.200 1.200 1.200 peak 189 spectrum 1 weight .10000E+01 volume .31201E-02 ppm1 .866 ppm2 4.222 CV 1
OR { 189}
( segid "B " and resid 143 and name HD1%)
(( segid "A " and resid 45 and name HA ))
ASSI { 460}
( segid "B " and resid 132 and name HD1%)
(( segid "B " and resid 132 and name HG ))
1.900 .400 .400 peak 460 spectrum 1 weight .10000E+01 volume .32598E-01 ppm1 .911 ppm2 1.619 CV 1
OR { 460}
( segid "B " and resid 125 and name HD1%)
(( segid "B " and resid 125 and name HG ))
OR { 460}
( segid "B " and resid 125 and name HD1%)
(( segid "B " and resid 125 and name HB2 ))
OR { 460}
( segid "B " and resid 126 and name HD1%)
(( segid "B " and resid 126 and name HB2 ))
OR { 460}
( segid "B " and resid 125 and name HD1%)
(( segid "B " and resid 125 and name HB3 ))
OR { 460}
( segid "B " and resid 132 and name HD1%)
(( segid "B " and resid 132 and name HB3 ))
OR { 460}
( segid "B " and resid 132 and name HD1%)
(( segid "B " and resid 132 and name HB2 ))
OR { 460}
( segid "B " and resid 114 and name HD1%)
(( segid "B " and resid 114 and name HB2 ))
OR { 460}
( segid "B " and resid 114 and name HD1%)
(( segid "B " and resid 114 and name HB3 ))
ASSI { 65}
(( segid "B " and resid 149 and name HA ))
(( segid "B " and resid 151 and name HB2 ))
3.200 1.200 1.200 peak 65 spectrum 1 weight .10000E+01 volume .15653E-02 ppm1 4.535 ppm2 2.047 CV 1
OR { 65}
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(( segid "B " and resid 140 and name HB3 ))
OR { 65}
(( segid "B " and resid 141 and name HA ))
(( segid "B " and resid 140 and name HB2 ))
OR { 65}
(( segid "B " and resid 142 and name HA ))
(( segid "B " and resid 144 and name HB2 ))
OR { 65}
(( segid "B " and resid 142 and name HA ))
(( segid "B " and resid 144 and name HB3 ))
OR { 65}
(( segid "B " and resid 142 and name HA ))
( segid "B " and resid 144 and name HE% )
ASSI { 571}
( segid "B " and resid 135 and name HD2%)
(( segid "B " and resid 135 and name HA ))
2.800 1.000 1.000 peak 571 spectrum 1 weight .10000E+01 volume .93497E-02 ppm1 .901 ppm2 4.581 CV 1
OR { 571}
( segid "B " and resid 126 and name HD2%)
(( segid "B " and resid 126 and name HA ))
ASSI { 504}
(( segid "B " and resid 124 and name HD2 ))
( segid "B " and resid 126 and name HD1%)
2.600 2.600 3.400 peak 504 spectrum 1 weight .10000E+01 volume .15286E-02 ppm1 1.595 ppm2 .880 CV 1
OR { 504}
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( segid "B " and resid 126 and name HD1%)
OR { 504}
(( segid "B " and resid 124 and name HD3 ))
( segid "B " and resid 125 and name HD2%)
OR { 504}
(( segid "B " and resid 124 and name HD2 ))
( segid "B " and resid 125 and name HD2%)
OR { 504}
(( segid "B " and resid 124 and name HD2 ))
( segid "B " and resid 131 and name HG2%)
OR { 504}
(( segid "B " and resid 124 and name HD3 ))
( segid "B " and resid 131 and name HG2%)
OR { 504}
(( segid "B " and resid 124 and name HD3 ))
( segid "B " and resid 126 and name HD2%)
OR { 504}
(( segid "B " and resid 124 and name HD3 ))
( segid "B " and resid 131 and name HG1%)
ASSI { 170}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 123 and name H ))
2.700 .900 .900 peak 170 spectrum 1 weight .10000E+01 volume .27274E-02 ppm1 4.497 ppm2 7.859 CV 1
OR { 170}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 125 and name H ))
ASSI { 397}
(( segid "B " and resid 142 and name HA ))
(( segid "B " and resid 142 and name HB2 ))
2.000 .500 .500 peak 397 spectrum 1 weight .10000E+01 volume .23615E-01 ppm1 4.537 ppm2 2.637 CV 1
OR { 397}
(( segid "B " and resid 141 and name HA ))
(( segid "B " and resid 141 and name HB3 ))
OR { 397}
(( segid "B " and resid 142 and name HA ))
(( segid "B " and resid 142 and name HB3 ))
OR { 397}
(( segid "B " and resid 141 and name HA ))
(( segid "B " and resid 141 and name HB2 ))
ASSI { 273}
( segid "B " and resid 131 and name HG2%)
(( segid "B " and resid 126 and name H ))
2.600 2.600 3.400 peak 273 spectrum 1 weight .10000E+01 volume .15286E-02 ppm1 .925 ppm2 7.865 CV 1
OR { 273}
( segid "B " and resid 131 and name HG1%)
(( segid "B " and resid 126 and name H ))
OR { 273}
( segid "B " and resid 131 and name HG2%)
(( segid "B " and resid 125 and name H ))
OR { 273}
( segid "B " and resid 131 and name HG1%)
(( segid "B " and resid 125 and name H ))
ASSI { 473}
(( segid "B " and resid 150 and name HG12))
( segid "B " and resid 154 and name HD% )
4.200 2.200 1.800 peak 473 spectrum 1 weight .10000E+01 volume .46068E-03 ppm1 1.417 ppm2 7.136 CV 1
OR { 473}
(( segid "B " and resid 150 and name HG12))
(( segid "A " and resid 37 and name HZ ))
ASSI { 524}
(( segid "B " and resid 146 and name HB2 ))
(( segid "B " and resid 145 and name HB2 ))
3.400 1.500 1.500 peak 524 spectrum 1 weight .10000E+01 volume .11569E-02 ppm1 3.861 ppm2 1.583 CV 1
OR { 524}
(( segid "B " and resid 120 and name HB3 ))
(( segid "B " and resid 124 and name HD3 ))
OR { 524}
(( segid "B " and resid 120 and name HB3 ))
(( segid "B " and resid 124 and name HD2 ))
OR { 524}
(( segid "B " and resid 120 and name HB3 ))
(( segid "B " and resid 122 and name HG ))
OR { 524}
(( segid "B " and resid 120 and name HB3 ))
(( segid "B " and resid 124 and name HB2 ))
OR { 524}
(( segid "B " and resid 133 and name HB3 ))
(( segid "B " and resid 135 and name HB2 ))
ASSI { 87}
(( segid "B " and resid 154 and name HB3 ))
(( segid "B " and resid 154 and name H ))
3.000 1.100 1.100 peak 87 spectrum 1 weight .10000E+01 volume .15600E-02 ppm1 2.866 ppm2 7.913 CV 1
OR { 87}
(( segid "B " and resid 154 and name HB3 ))
(( segid "B " and resid 155 and name H ))
ASSI { 283}
(( segid "B " and resid 132 and name HB3 ))
(( segid "B " and resid 131 and name HA ))
4.300 2.300 1.700 peak 283 spectrum 1 weight .10000E+01 volume .80618E-03 ppm1 1.581 ppm2 4.087 CV 1
OR { 283}
(( segid "B " and resid 125 and name HB3 ))
(( segid "B " and resid 124 and name HA ))
ASSI { 136}
(( segid "B " and resid 116 and name HB2 ))
(( segid "B " and resid 120 and name HB2 ))
2.900 2.900 3.100 peak 136 spectrum 1 weight .10000E+01 volume .20521E-02 ppm1 2.026 ppm2 3.695 CV 1
OR { 136}
(( segid "B " and resid 128 and name HB2 ))
(( segid "B " and resid 127 and name HD3 ))
ASSI { 70}
(( segid "B " and resid 147 and name HG3 ))
(( segid "B " and resid 149 and name H ))
4.500 2.500 1.500 peak 70 spectrum 1 weight .10000E+01 volume .68579E-03 ppm1 2.022 ppm2 7.947 CV 1
OR { 70}
(( segid "B " and resid 127 and name HG2 ))
(( segid "B " and resid 126 and name H ))
OR { 70}
(( segid "B " and resid 127 and name HG3 ))
(( segid "B " and resid 126 and name H ))
OR { 70}
(( segid "B " and resid 147 and name HG2 ))
(( segid "B " and resid 149 and name H ))
ASSI { 306}
(( segid "B " and resid 123 and name HA ))
( segid "B " and resid 125 and name HD1%)
3.400 1.400 1.400 peak 306 spectrum 1 weight .10000E+01 volume .17799E-02 ppm1 4.495 ppm2 .904 CV 1
OR { 306}
(( segid "B " and resid 123 and name HA ))
( segid "B " and resid 126 and name HD1%)
OR { 306}
(( segid "B " and resid 123 and name HA ))
( segid "B " and resid 125 and name HD2%)
ASSI { 425}
(( segid "B " and resid 153 and name HH2 ))
( segid "B " and resid 150 and name HG2%)
3.300 1.300 1.300 peak 425 spectrum 1 weight .10000E+01 volume .74335E-03 ppm1 7.065 ppm2 .826 CV 1
OR { 425}
(( segid "B " and resid 153 and name HH2 ))
( segid "B " and resid 145 and name HD2%)
ASSI { 71}
(( segid "B " and resid 145 and name HG ))
( segid "B " and resid 145 and name HD2%)
1.900 .500 .500 peak 71 spectrum 1 weight .10000E+01 volume .18747E-01 ppm1 1.605 ppm2 .845 CV 1
OR { 71}
(( segid "B " and resid 145 and name HG ))
( segid "B " and resid 145 and name HD1%)
OR { 71}
(( segid "B " and resid 143 and name HG ))
( segid "B " and resid 143 and name HD1%)
OR { 71}
(( segid "B " and resid 132 and name HG ))
( segid "B " and resid 132 and name HD2%)
OR { 71}
(( segid "B " and resid 125 and name HG ))
( segid "B " and resid 125 and name HD2%)
ASSI { 500}
(( segid "B " and resid 127 and name HB2 ))
(( segid "B " and resid 127 and name HD2 ))
2.500 .800 .800 peak 500 spectrum 1 weight .10000E+01 volume .13297E-01 ppm1 1.908 ppm2 3.820 CV 1
OR { 500}
(( segid "B " and resid 136 and name HB2 ))
(( segid "B " and resid 136 and name HD2 ))
ASSI { 548}
(( segid "B " and resid 114 and name HA ))
(( segid "B " and resid 115 and name H ))
2.500 .800 .800 peak 548 spectrum 1 weight .10000E+01 volume .33399E-02 ppm1 4.325 ppm2 8.349 CV 1
OR { 548}
(( segid "B " and resid 114 and name HA ))
(( segid "B " and resid 114 and name H ))
ASSI { 522}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 122 and name HB2 ))
3.500 1.500 1.500 peak 522 spectrum 1 weight .10000E+01 volume .79050E-03 ppm1 7.263 ppm2 1.556 CV 1
OR { 522}
(( segid "B " and resid 123 and name HD1 ))
(( segid "B " and resid 124 and name HD2 ))
ASSI { 475}
(( segid "B " and resid 123 and name HD1 ))
( segid "B " and resid 122 and name HD1%)
3.500 1.500 1.500 peak 475 spectrum 1 weight .10000E+01 volume .43450E-03 ppm1 7.262 ppm2 .815 CV 1
OR { 475}
(( segid "B " and resid 123 and name HD1 ))
( segid "B " and resid 125 and name HD2%)
ASSI { 394}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 151 and name HG2 ))
3.300 1.400 1.400 peak 394 spectrum 1 weight .10000E+01 volume .19736E-02 ppm1 .792 ppm2 2.180 CV 1
OR { 394}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 151 and name HG3 ))
OR { 394}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 152 and name HG2 ))
OR { 394}
( segid "B " and resid 150 and name HG2%)
(( segid "B " and resid 152 and name HG3 ))
ASSI { 481}
(( segid "B " and resid 125 and name HA ))
(( segid "B " and resid 125 and name H ))
2.300 .700 .700 peak 481 spectrum 1 weight .10000E+01 volume .67584E-02 ppm1 4.280 ppm2 7.871 CV 1
OR { 481}
(( segid "B " and resid 125 and name HA ))
(( segid "B " and resid 126 and name H ))
ASSI { 168}
(( segid "B " and resid 157 and name HB3 ))
(( segid "B " and resid 157 and name H ))
3.000 1.100 1.100 peak 168 spectrum 1 weight .10000E+01 volume .24552E-02 ppm1 2.506 ppm2 8.398 CV 1
OR { 168}
(( segid "B " and resid 157 and name HB3 ))
(( segid "B " and resid 159 and name H ))
ASSI { 341}
(( segid "B " and resid 125 and name HB3 ))
( segid "B " and resid 125 and name HD2%)
2.000 .500 .500 peak 341 spectrum 1 weight .10000E+01 volume .19464E-01 ppm1 1.574 ppm2 .902 CV 1
OR { 341}
(( segid "B " and resid 125 and name HB3 ))
( segid "B " and resid 125 and name HD1%)
OR { 341}
(( segid "B " and resid 114 and name HB3 ))
( segid "B " and resid 114 and name HD2%)
OR { 341}
(( segid "B " and resid 114 and name HB3 ))
( segid "B " and resid 114 and name HD1%)
ASSI { 316}
(( segid "B " and resid 124 and name HE3 ))
( segid "B " and resid 126 and name HD1%)
2.800 2.800 3.200 peak 316 spectrum 1 weight .10000E+01 volume .85332E-03 ppm1 2.921 ppm2 .868 CV 1
OR { 316}
(( segid "B " and resid 124 and name HE2 ))
( segid "B " and resid 126 and name HD1%)
OR { 316}
(( segid "B " and resid 124 and name HE3 ))
( segid "B " and resid 131 and name HG1%)
OR { 316}
(( segid "B " and resid 124 and name HE2 ))
( segid "B " and resid 131 and name HG1%)
OR { 316}
(( segid "B " and resid 124 and name HE2 ))
( segid "B " and resid 125 and name HD2%)
OR { 316}
(( segid "B " and resid 124 and name HE3 ))
( segid "B " and resid 125 and name HD2%)
OR { 316}
(( segid "B " and resid 124 and name HE2 ))
( segid "B " and resid 126 and name HD2%)
ASSI { 131}
(( segid "B " and resid 138 and name HA ))
(( segid "B " and resid 138 and name HG3 ))
2.700 .900 .900 peak 131 spectrum 1 weight .10000E+01 volume .45335E-02 ppm1 4.329 ppm2 2.351 CV 1
OR { 131}
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(( segid "B " and resid 116 and name HG2 ))
OR { 131}
(( segid "B " and resid 138 and name HA ))
(( segid "B " and resid 138 and name HG2 ))
ASSI { 317}
(( segid "B " and resid 153 and name HA ))
(( segid "B " and resid 153 and name H ))
2.800 1.000 1.000 peak 317 spectrum 1 weight .10000E+01 volume .29211E-02 ppm1 4.559 ppm2 7.895 CV 1
OR { 317}
(( segid "B " and resid 153 and name HA ))
(( segid "B " and resid 154 and name H ))
ASSI { 502}
(( segid "B " and resid 145 and name HB3 ))
(( segid "A " and resid 23 and name HD2 ))
3.500 1.500 1.500 peak 502 spectrum 1 weight .10000E+01 volume .92657E-03 ppm1 1.639 ppm2 2.647 CV 1
OR { 502}
(( segid "B " and resid 145 and name HB3 ))
(( segid "B " and resid 149 and name HB3 ))
OR { 502}
(( segid "B " and resid 145 and name HB3 ))
(( segid "B " and resid 149 and name HB2 ))
ASSI { 448}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 125 and name HG ))
4.300 2.400 1.700 peak 448 spectrum 1 weight .10000E+01 volume .73288E-03 ppm1 3.306 ppm2 1.629 CV 1
OR { 448}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 125 and name HB2 ))
OR { 448}
(( segid "B " and resid 123 and name HB2 ))
(( segid "B " and resid 125 and name HG ))
OR { 448}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 124 and name HB2 ))
OR { 448}
(( segid "B " and resid 123 and name HB2 ))
(( segid "B " and resid 124 and name HB2 ))
OR { 448}
(( segid "B " and resid 123 and name HB2 ))
(( segid "B " and resid 125 and name HB2 ))
OR { 448}
(( segid "B " and resid 123 and name HB3 ))
(( segid "B " and resid 125 and name HB3 ))
OR { 448}
(( segid "B " and resid 123 and name HB2 ))
(( segid "B " and resid 125 and name HB3 ))
ASSI { 375}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 125 and name H ))
3.900 1.900 1.900 peak 375 spectrum 1 weight .10000E+01 volume .81665E-03 ppm1 1.710 ppm2 7.842 CV 1
OR { 375}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 126 and name H ))
OR { 375}
(( segid "B " and resid 124 and name HB3 ))
(( segid "B " and resid 123 and name H ))
ASSI { 540}
(( segid "B " and resid 135 and name HG ))
(( segid "B " and resid 136 and name HD3 ))
4.300 2.300 1.700 peak 540 spectrum 1 weight .10000E+01 volume .10051E-02 ppm1 1.700 ppm2 3.657 CV 1
OR { 540}
(( segid "B " and resid 126 and name HG ))
(( segid "B " and resid 127 and name HD3 ))
ASSI { 519}
(( segid "B " and resid 149 and name HA ))
(( segid "B " and resid 150 and name H ))
2.900 1.000 1.000 peak 519 spectrum 1 weight .10000E+01 volume .33975E-02 ppm1 4.496 ppm2 7.758 CV 1
OR { 519}
(( segid "B " and resid 148 and name HA ))
(( segid "B " and resid 150 and name H ))
ASSI { 231}
(( segid "B " and resid 157 and name HB3 ))
(( segid "B " and resid 157 and name HB2 ))
1.400 .300 .800 peak 231 spectrum 1 weight .10000E+01 volume .44575E-01 ppm1 2.503 ppm2 2.702 CV 1
OR { 231}
(( segid "B " and resid 148 and name HB2 ))
(( segid "B " and resid 148 and name HB3 ))
ASSI { 411}
(( segid "B " and resid 134 and name HA ))
(( segid "B " and resid 134 and name HB3 ))
1.700 .400 .500 peak 411 spectrum 1 weight .10000E+01 volume .30274E-01 ppm1 4.438 ppm2 2.276 CV 1
OR { 411}
(( segid "B " and resid 136 and name HA ))
(( segid "B " and resid 136 and name HB3 ))
ASSI { 549}
( segid "B " and resid 139 and name HB% )
(( segid "B " and resid 139 and name H ))
2.700 .900 .900 peak 549 spectrum 1 weight .10000E+01 volume .42927E-02 ppm1 1.378 ppm2 8.313 CV 1
OR { 549}
( segid "B " and resid 139 and name HB% )
(( segid "B " and resid 140 and name H ))
ASSI { 592}
(( segid "B " and resid 142 and name HA ))
( segid "B " and resid 143 and name HD2%)
3.600 1.600 1.600 peak 592 spectrum 1 weight .10000E+01 volume .17746E-02 ppm1 4.537 ppm2 .827 CV 1
OR { 592}
(( segid "B " and resid 121 and name HA ))
( segid "B " and resid 122 and name HD2%)
OR { 592}
(( segid "B " and resid 141 and name HA ))
( segid "B " and resid 143 and name HD2%)
OR { 592}
(( segid "B " and resid 141 and name HA ))
( segid "B " and resid 143 and name HD1%)
OR { 592}
(( segid "B " and resid 142 and name HA ))
( segid "B " and resid 143 and name HD1%)
OR { 592}
(( segid "B " and resid 121 and name HA ))
( segid "B " and resid 122 and name HD1%)
ASSI { 461}
( segid "B " and resid 144 and name HE% )
(( segid "B " and resid 144 and name HA ))
3.300 1.300 1.300 peak 461 spectrum 1 weight .10000E+01 volume .22877E-02 ppm1 2.038 ppm2 4.404 CV 1
OR { 461}
( segid "B " and resid 140 and name HE% )
(( segid "B " and resid 140 and name HA ))
ASSI { 36}
(( segid "B " and resid 122 and name HB3 ))
(( segid "B " and resid 123 and name HD1 ))
4.900 3.000 1.100 peak 36 spectrum 1 weight .10000E+01 volume .53919E-03 ppm1 1.378 ppm2 7.209 CV 1
OR { 36}
(( segid "B " and resid 122 and name HB3 ))
( segid "B " and resid 119 and name HD% )
ASSI { 296}
(( segid "B " and resid 127 and name HG2 ))
(( segid "B " and resid 127 and name HD3 ))
1.600 .300 .600 peak 296 spectrum 1 weight .10000E+01 volume .59106E-01 ppm1 2.021 ppm2 3.642 CV 1
OR { 296}
(( segid "B " and resid 134 and name HG3 ))
(( segid "B " and resid 134 and name HD3 ))
OR { 296}
(( segid "B " and resid 134 and name HG2 ))
(( segid "B " and resid 134 and name HD3 ))
OR { 296}
(( segid "B " and resid 147 and name HG3 ))
(( segid "B " and resid 147 and name HD3 ))
OR { 296}
(( segid "B " and resid 127 and name HG3 ))
(( segid "B " and resid 127 and name HD3 ))
ASSI { 222}
(( segid "B " and resid 159 and name HA3 ))
(( segid "B " and resid 160 and name HA ))
3.900 1.900 1.900 peak 222 spectrum 1 weight .10000E+01 volume .72767E-03 ppm1 4.011 ppm2 4.439 CV 1
OR { 222}
(( segid "B " and resid 159 and name HA3 ))
(( segid "B " and resid 158 and name HA ))
ASSI { 245}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 153 and name HH2 ))
3.500 1.500 1.500 peak 245 spectrum 1 weight .10000E+01 volume .10418E-02 ppm1 .820 ppm2 7.099 CV 1
OR { 245}
( segid "B " and resid 145 and name HD2%)
(( segid "B " and resid 154 and name HZ ))
ASSI { 253}
(( segid "B " and resid 156 and name HG3 ))
(( segid "B " and resid 156 and name H ))
3.600 1.600 1.600 peak 253 spectrum 1 weight .10000E+01 volume .93183E-03 ppm1 2.263 ppm2 8.323 CV 1
OR { 253}
(( segid "B " and resid 128 and name HG2 ))
(( segid "B " and resid 129 and name H ))
OR { 253}
(( segid "B " and resid 128 and name HG3 ))
(( segid "B " and resid 129 and name H ))
ASSI { 553}
( segid "B " and resid 114 and name HD2%)
(( segid "B " and resid 114 and name H ))
4.200 2.200 1.800 peak 553 spectrum 1 weight .10000E+01 volume .52351E-03 ppm1 .892 ppm2 8.332 CV 1
OR { 553}
( segid "B " and resid 114 and name HD2%)
(( segid "B " and resid 115 and name H ))
ASSI { 1}
( segid "B " and resid 143 and name HD2%)
(( segid "B " and resid 143 and name HG ))
2.000 .500 .500 peak 1 spectrum 1 weight .10000E+01 volume .18705E-01 ppm1 .769 ppm2 1.541 CV 1
OR { 1}
( segid "B " and resid 122 and name HD2%)
(( segid "B " and resid 122 and name HG ))
OR { 1}
( segid "B " and resid 122 and name HD2%)
(( segid "B " and resid 122 and name HB2 ))
ASSI { 335}
(( segid "B " and resid 126 and name HB2 ))
(( segid "B " and resid 127 and name HD3 ))
4.000 2.000 2.000 peak 335 spectrum 1 weight .10000E+01 volume .10522E-02 ppm1 1.634 ppm2 3.673 CV 1
OR { 335}
(( segid "B " and resid 135 and name HB3 ))
(( segid "B " and resid 136 and name HD3 ))
ASSI { 9}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 153 and name H ))
3.200 1.300 1.300 peak 9 spectrum 1 weight .10000E+01 volume .10993E-02 ppm1 7.017 ppm2 7.892 CV 1
OR { 9}
(( segid "B " and resid 153 and name HD1 ))
(( segid "B " and resid 154 and name H ))
ASSI { 156}
(( segid "B " and resid 128 and name HG2 ))
(( segid "B " and resid 123 and name HH2 ))
3.200 1.300 1.300 peak 156 spectrum 1 weight .10000E+01 volume .75382E-03 ppm1 2.212 ppm2 7.165 CV 1
OR { 156}
(( segid "B " and resid 128 and name HG3 ))
(( segid "B " and resid 123 and name HH2 ))
OR { 156}
(( segid "B " and resid 117 and name HG2 ))
( segid "B " and resid 119 and name HD% )
ASSI { 98}
(( segid "B " and resid 129 and name HA ))
(( segid "B " and resid 129 and name HB2 ))
2.400 .700 .700 peak 98 spectrum 1 weight .10000E+01 volume .67898E-02 ppm1 4.719 ppm2 2.719 CV 1
OR { 98}
(( segid "B " and resid 130 and name HA ))
(( segid "B " and resid 130 and name HB3 ))
ASSI { 132}
(( segid "B " and resid 123 and name HB3 ))
( segid "B " and resid 126 and name HD1%)
4.300 2.300 1.700 peak 132 spectrum 1 weight .10000E+01 volume .50778E-03 ppm1 3.304 ppm2 .901 CV 1
OR { 132}
(( segid "B " and resid 123 and name HB3 ))
( segid "B " and resid 126 and name HD2%)
OR { 132}
(( segid "B " and resid 123 and name HB2 ))
( segid "B " and resid 126 and name HD1%)
OR { 132}
(( segid "B " and resid 123 and name HB2 ))
( segid "B " and resid 125 and name HD1%)
OR { 132}
(( segid "B " and resid 123 and name HB2 ))
( segid "B " and resid 126 and name HD2%)
ASSI { 369}
(( segid "B " and resid 115 and name HB2 ))
(( segid "B " and resid 117 and name HB3 ))
3.800 1.800 1.800 peak 369 spectrum 1 weight .10000E+01 volume .13454E-02 ppm1 3.865 ppm2 1.921 CV 1
OR { 369}
(( segid "B " and resid 133 and name HB3 ))
(( segid "B " and resid 134 and name HB2 ))
OR { 369}
(( segid "B " and resid 146 and name HB2 ))
(( segid "B " and resid 147 and name HB3 ))
ASSI { 396}
( segid "B " and resid 143 and name HD1%)
(( segid "A " and resid 45 and name HB3 ))
3.000 1.100 1.100 peak 396 spectrum 1 weight .10000E+01 volume .25442E-02 ppm1 .842 ppm2 4.073 CV 1
OR { 396}
( segid "B " and resid 143 and name HD1%)
(( segid "A " and resid 45 and name HB2 ))
OR { 396}
( segid "B " and resid 122 and name HD1%)
(( segid "B " and resid 122 and name HA ))
ASSI { 348}
(( segid "B " and resid 130 and name HB2 ))
( segid "B " and resid 132 and name HD2%)
3.900 1.900 1.900 peak 348 spectrum 1 weight .10000E+01 volume .11517E-02 ppm1 2.817 ppm2 .898 CV 1
OR { 348}
(( segid "B " and resid 130 and name HB2 ))
( segid "B " and resid 132 and name HD1%)
OR { 348}
(( segid "B " and resid 130 and name HB2 ))
( segid "B " and resid 131 and name HG2%)
ASSI { 265}
(( segid "B " and resid 126 and name HB3 ))
(( segid "B " and resid 126 and name HA ))
2.300 .700 .700 peak 265 spectrum 1 weight .10000E+01 volume .45860E-02 ppm1 1.558 ppm2 4.571 CV 1
OR { 265}
(( segid "B " and resid 135 and name HB2 ))
(( segid "B " and resid 135 and name HA ))
ASSI { 49}
(( segid "B " and resid 137 and name HA ))
(( segid "B " and resid 137 and name H ))
3.300 1.400 1.400 peak 49 spectrum 1 weight .10000E+01 volume .10208E-02 ppm1 4.372 ppm2 8.348 CV 1
OR { 49}
(( segid "B " and resid 137 and name HA ))
(( segid "B " and resid 138 and name H ))
ASSI { 285}
( segid "B " and resid 119 and name HE% )
(( segid "B " and resid 119 and name HB3 ))
4.200 2.300 1.800 peak 285 spectrum 1 weight .10000E+01 volume .77477E-03 ppm1 7.296 ppm2 3.048 CV 1
OR { 285}
( segid "B " and resid 154 and name HE% )
(( segid "B " and resid 154 and name HB2 ))
ASSI { 496}
(( segid "B " and resid 135 and name HB2 ))
(( segid "B " and resid 136 and name HD3 ))
3.500 1.500 1.500 peak 496 spectrum 1 weight .10000E+01 volume .32143E-02 ppm1 1.564 ppm2 3.645 CV 1
OR { 496}
(( segid "B " and resid 126 and name HB3 ))
(( segid "B " and resid 127 and name HD3 ))
ASSI { 117}
(( segid "B " and resid 123 and name HH2 ))
(( segid "B " and resid 128 and name HB2 ))
3.100 3.100 2.900 peak 117 spectrum 1 weight .10000E+01 volume .49731E-03 ppm1 7.181 ppm2 2.049 CV 1
OR { 117}
(( segid "B " and resid 123 and name HH2 ))
(( segid "B " and resid 131 and name HB ))
ASSI { 204}
( segid "B " and resid 143 and name HD1%)
(( segid "B " and resid 143 and name H ))
3.400 1.500 1.500 peak 204 spectrum 1 weight .10000E+01 volume .21516E-02 ppm1 .857 ppm2 8.011 CV 1
OR { 204}
( segid "B " and resid 145 and name HD1%)
(( segid "B " and resid 145 and name H ))
ASSI { 7}
(( segid "B " and resid 145 and name HG ))
(( segid "B " and resid 145 and name HA ))
2.700 .900 .900 peak 7 spectrum 1 weight .10000E+01 volume .37482E-02 ppm1 1.607 ppm2 4.416 CV 1
OR { 7}
(( segid "B " and resid 132 and name HG ))
(( segid "B " and resid 132 and name HA ))
ASSI { 359}
(( segid "B " and resid 145 and name HB3 ))
(( segid "B " and resid 145 and name H ))
3.100 1.200 1.200 peak 359 spectrum 1 weight .10000E+01 volume .34865E-02 ppm1 1.641 ppm2 8.030 CV 1
OR { 359}
(( segid "B " and resid 143 and name HB3 ))
(( segid "B " and resid 143 and name H ))
ASSI { 346}
(( segid "B " and resid 119 and name HB3 ))
(( segid "B " and resid 120 and name HA ))
3.700 1.700 1.700 peak 346 spectrum 1 weight .10000E+01 volume .91610E-03 ppm1 3.028 ppm2 4.296 CV 1
OR { 346}
(( segid "B " and resid 119 and name HB3 ))
(( segid "B " and resid 116 and name HA ))
OR { 346}
(( segid "B " and resid 119 and name HB3 ))
(( segid "B " and resid 118 and name HA ))
ASSI { 110}
( segid "B " and resid 119 and name HD% )
(( segid "B " and resid 116 and name HA ))
3.600 1.600 1.600 peak 110 spectrum 1 weight .10000E+01 volume .57060E-03 ppm1 7.207 ppm2 4.292 CV 1
OR { 110}
( segid "B " and resid 119 and name HD% )
(( segid "B " and resid 120 and name HA ))
ASSI { 62}
( segid "B " and resid 145 and name HD1%)
( segid "B " and resid 154 and name HE% )
3.500 1.600 1.600 peak 62 spectrum 1 weight .10000E+01 volume .78524E-03 ppm1 .856 ppm2 7.347 CV 1
OR { 62}
( segid "B " and resid 122 and name HD1%)
( segid "B " and resid 119 and name HE% )
ASSI { 565}
(( segid "B " and resid 133 and name HB3 ))
( segid "B " and resid 131 and name HG1%)
3.100 1.200 1.200 peak 565 spectrum 1 weight .10000E+01 volume .14135E-02 ppm1 3.863 ppm2 .887 CV 1
OR { 565}
(( segid "B " and resid 115 and name HB2 ))
( segid "B " and resid 114 and name HD1%)
OR { 565}
(( segid "B " and resid 133 and name HB3 ))
( segid "B " and resid 135 and name HD1%)
OR { 565}
(( segid "B " and resid 146 and name HB2 ))
( segid "B " and resid 145 and name HD1%)
OR { 565}
(( segid "B " and resid 120 and name HB3 ))
( segid "B " and resid 122 and name HD1%)
OR { 565}
(( segid "B " and resid 133 and name HB3 ))
( segid "B " and resid 135 and name HD2%)
ASSI { 308}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 154 and name HB2 ))
3.600 1.600 1.600 peak 308 spectrum 1 weight .10000E+01 volume .83238E-03 ppm1 3.814 ppm2 3.038 CV 1
OR { 308}
(( segid "B " and resid 150 and name HA ))
(( segid "B " and resid 153 and name HB2 ))
ASSI { 111}
( segid "B " and resid 114 and name HD1%)
(( segid "B " and resid 114 and name HA ))
3.300 1.400 1.400 peak 111 spectrum 1 weight .10000E+01 volume .27588E-02 ppm1 .915 ppm2 4.307 CV 1
OR { 111}
( segid "B " and resid 125 and name HD1%)
(( segid "B " and resid 125 and name HA ))
ASSI { 495}
(( segid "B " and resid 122 and name HB3 ))
(( segid "B " and resid 123 and name HA ))
4.200 2.200 1.800 peak 495 spectrum 1 weight .10000E+01 volume .85332E-03 ppm1 1.366 ppm2 4.561 CV 1
OR { 495}
(( segid "B " and resid 122 and name HB3 ))
(( segid "B " and resid 119 and name HA ))
ASSI { 405}
(( segid "B " and resid 124 and name HB3 ))
( segid "B " and resid 126 and name HD1%)
3.900 1.900 1.900 peak 405 spectrum 1 weight .10000E+01 volume .84806E-03 ppm1 1.709 ppm2 .877 CV 1
OR { 405}
(( segid "B " and resid 124 and name HB3 ))
( segid "B " and resid 125 and name HD2%)
OR { 405}
(( segid "B " and resid 124 and name HB3 ))
( segid "B " and resid 125 and name HD1%)
ASSI { 352}
(( segid "B " and resid 132 and name HB2 ))
(( segid "B " and resid 132 and name H ))
2.700 .900 .900 peak 352 spectrum 1 weight .10000E+01 volume .29735E-02 ppm1 1.646 ppm2 8.322 CV 1
OR { 352}
(( segid "B " and resid 114 and name HB2 ))
(( segid "B " and resid 114 and name H ))
ASSI { 76}
( segid "B " and resid 122 and name HD2%)
(( segid "B " and resid 121 and name HB2 ))
3.100 1.200 1.200 peak 76 spectrum 1 weight .10000E+01 volume .97372E-03 ppm1 .767 ppm2 2.617 CV 1
OR { 76}
( segid "B " and resid 143 and name HD2%)
(( segid "B " and resid 144 and name HG2 ))
OR { 76}
( segid "B " and resid 143 and name HD2%)
(( segid "B " and resid 142 and name HB2 ))
OR { 76}
( segid "B " and resid 143 and name HD2%)
(( segid "A " and resid 44 and name HB3 ))
ASSI { 126}
(( segid "B " and resid 116 and name HB2 ))
(( segid "B " and resid 115 and name HB3 ))
3.500 1.500 1.500 peak 126 spectrum 1 weight .10000E+01 volume .10470E-02 ppm1 2.016 ppm2 3.847 CV 1
OR { 126}
(( segid "B " and resid 151 and name HB2 ))
(( segid "B " and resid 150 and name HA ))
OR { 126}
(( segid "B " and resid 116 and name HB2 ))
(( segid "B " and resid 120 and name HB3 ))
ASSI { 198}
(( segid "B " and resid 128 and name HG3 ))
( segid "B " and resid 126 and name HD1%)
2.900 1.100 1.100 peak 198 spectrum 1 weight .10000E+01 volume .20835E-02 ppm1 2.276 ppm2 .884 CV 1
OR { 198}
(( segid "B " and resid 128 and name HG3 ))
( segid "B " and resid 131 and name HG2%)
ASSI { 507}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 126 and name HB2 ))
4.500 2.500 1.500 peak 507 spectrum 1 weight .10000E+01 volume .63343E-03 ppm1 7.528 ppm2 1.579 CV 1
OR { 507}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 126 and name HB3 ))
OR { 507}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 124 and name HB2 ))
OR { 507}
(( segid "B " and resid 123 and name HE3 ))
(( segid "B " and resid 125 and name HG ))
ASSI { 162}
(( segid "B " and resid 142 and name HB2 ))
(( segid "B " and resid 142 and name HA ))
2.300 .700 .700 peak 162 spectrum 1 weight .10000E+01 volume .11334E-01 ppm1 2.612 ppm2 4.533 CV 1
OR { 162}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 121 and name HA ))
ASSI { 50}
(( segid "B " and resid 126 and name HA ))
(( segid "B " and resid 126 and name HB3 ))
2.100 .600 .600 peak 50 spectrum 1 weight .10000E+01 volume .10041E-01 ppm1 4.582 ppm2 1.582 CV 1
OR { 50}
(( segid "B " and resid 126 and name HA ))
(( segid "B " and resid 126 and name HB2 ))
OR { 50}
(( segid "B " and resid 135 and name HA ))
(( segid "B " and resid 135 and name HB2 ))
ASSI { 304}
(( segid "B " and resid 127 and name HD3 ))
(( segid "B " and resid 127 and name HG2 ))
1.700 .300 .500 peak 304 spectrum 1 weight .10000E+01 volume .43361E-01 ppm1 3.632 ppm2 2.006 CV 1
OR { 304}
(( segid "B " and resid 158 and name HD3 ))
(( segid "B " and resid 158 and name HG3 ))
OR { 304}
(( segid "B " and resid 147 and name HD3 ))
(( segid "B " and resid 147 and name HG2 ))
OR { 304}
(( segid "B " and resid 158 and name HD3 ))
(( segid "B " and resid 158 and name HG2 ))
OR { 304}
(( segid "B " and resid 147 and name HD3 ))
(( segid "B " and resid 147 and name HG3 ))
OR { 304}
(( segid "B " and resid 136 and name HD3 ))
(( segid "B " and resid 136 and name HG3 ))
OR { 304}
(( segid "B " and resid 127 and name HD3 ))
(( segid "B " and resid 127 and name HG3 ))
ASSI { 178}
(( segid "B " and resid 145 and name HG ))
(( segid "A " and resid 23 and name HD2 ))
3.200 1.300 1.300 peak 178 spectrum 1 weight .10000E+01 volume .10993E-02 ppm1 1.587 ppm2 2.625 CV 1
OR { 178}
(( segid "B " and resid 143 and name HG ))
(( segid "B " and resid 142 and name HB3 ))
OR { 178}
(( segid "B " and resid 143 and name HG ))
(( segid "B " and resid 142 and name HB2 ))
OR { 178}
(( segid "B " and resid 143 and name HG ))
(( segid "A " and resid 44 and name HB3 ))
OR { 178}
(( segid "B " and resid 145 and name HG ))
(( segid "B " and resid 149 and name HB2 ))
ASSI { 68}
(( segid "B " and resid 128 and name HG3 ))
(( segid "B " and resid 128 and name HA ))
2.700 .900 .900 peak 68 spectrum 1 weight .10000E+01 volume .55125E-02 ppm1 2.217 ppm2 4.255 CV 1
OR { 68}
(( segid "B " and resid 128 and name HG2 ))
(( segid "B " and resid 128 and name HA ))
OR { 68}
(( segid "B " and resid 117 and name HG2 ))
(( segid "B " and resid 117 and name HA ))
OR { 68}
(( segid "B " and resid 156 and name HG2 ))
(( segid "B " and resid 156 and name HA ))
ASSI { 220}
(( segid "B " and resid 125 and name HG ))
(( segid "B " and resid 122 and name HA ))
3.500 1.600 1.600 peak 220 spectrum 1 weight .10000E+01 volume .11151E-02 ppm1 1.614 ppm2 4.069 CV 1
OR { 220}
(( segid "B " and resid 132 and name HG ))
(( segid "B " and resid 131 and name HA ))
OR { 220}
(( segid "B " and resid 125 and name HG ))
(( segid "B " and resid 124 and name HA ))
OR { 220}
(( segid "B " and resid 143 and name HG ))
(( segid "A " and resid 45 and name HB2 ))
ASSI { 69}
(( segid "B " and resid 143 and name HB3 ))
( segid "B " and resid 144 and name HE% )
3.400 1.400 1.400 peak 69 spectrum 1 weight .10000E+01 volume .13506E-02 ppm1 1.643 ppm2 1.997 CV 1
OR { 69}
(( segid "B " and resid 145 and name HB3 ))
(( segid "B " and resid 144 and name HB3 ))
OR { 69}
(( segid "B " and resid 143 and name HB3 ))
(( segid "B " and resid 144 and name HB2 ))
OR { 69}
(( segid "B " and resid 145 and name HB3 ))
(( segid "B " and resid 144 and name HB2 ))
OR { 69}
(( segid "B " and resid 143 and name HB3 ))
(( segid "B " and resid 144 and name HB3 ))
ASSI { 364}
(( segid "B " and resid 142 and name HB2 ))
(( segid "B " and resid 142 and name H ))
2.700 .900 .900 peak 364 spectrum 1 weight .10000E+01 volume .34865E-02 ppm1 2.622 ppm2 8.225 CV 1
OR { 364}
(( segid "B " and resid 121 and name HB2 ))
(( segid "B " and resid 121 and name H ))
ASSI { 56}
(( segid "B " and resid 125 and name HB3 ))
(( segid "B " and resid 125 and name H ))
3.400 1.400 1.400 peak 56 spectrum 1 weight .10000E+01 volume .24814E-02 ppm1 1.583 ppm2 7.845 CV 1
OR { 56}
(( segid "B " and resid 125 and name HB3 ))
(( segid "B " and resid 126 and name H ))
ASSI { 417}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 149 and name HB3 ))
3.300 1.400 1.400 peak 417 spectrum 1 weight .10000E+01 volume .54445E-03 ppm1 .777 ppm2 2.661 CV 1
OR { 417}
( segid "B " and resid 150 and name HD1%)
(( segid "A " and resid 23 and name HD2 ))
OR { 417}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 149 and name HB2 ))
ASSI { 407}
(( segid "B " and resid 153 and name HZ3 ))
( segid "B " and resid 145 and name HD1%)
3.300 1.400 1.400 peak 407 spectrum 1 weight .10000E+01 volume .96846E-03 ppm1 6.958 ppm2 .820 CV 1
OR { 407}
(( segid "B " and resid 153 and name HZ3 ))
( segid "B " and resid 150 and name HG2%)
OR { 407}
(( segid "B " and resid 153 and name HZ3 ))
( segid "B " and resid 150 and name HD1%)
ASSI { 567}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 149 and name HA ))
4.200 2.200 1.800 peak 567 spectrum 1 weight .10000E+01 volume .72241E-03 ppm1 1.813 ppm2 4.495 CV 1
OR { 567}
(( segid "B " and resid 150 and name HB ))
(( segid "B " and resid 153 and name HA ))
ASSI { 420}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 154 and name H ))
3.800 1.800 1.800 peak 420 spectrum 1 weight .10000E+01 volume .61775E-03 ppm1 7.426 ppm2 7.912 CV 1
OR { 420}
(( segid "B " and resid 153 and name HE3 ))
(( segid "B " and resid 153 and name H ))
ASSI { 538}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 151 and name HG3 ))
3.000 1.100 1.100 peak 538 spectrum 1 weight .10000E+01 volume .13768E-02 ppm1 1.169 ppm2 2.186 CV 1
OR { 538}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 156 and name HG2 ))
ASSI { 102}
(( segid "B " and resid 122 and name HB2 ))
( segid "B " and resid 122 and name HD1%)
2.400 .700 .700 peak 102 spectrum 1 weight .10000E+01 volume .98419E-02 ppm1 1.516 ppm2 .827 CV 1
OR { 102}
(( segid "B " and resid 143 and name HB2 ))
( segid "B " and resid 143 and name HD1%)
OR { 102}
(( segid "B " and resid 143 and name HB2 ))
( segid "B " and resid 143 and name HD2%)
OR { 102}
(( segid "B " and resid 122 and name HB2 ))
( segid "B " and resid 122 and name HD2%)
ASSI { 100}
(( segid "B " and resid 146 and name HB2 ))
(( segid "B " and resid 149 and name H ))
3.700 1.700 1.700 peak 100 spectrum 1 weight .10000E+01 volume .87426E-03 ppm1 3.884 ppm2 7.922 CV 1
OR { 100}
(( segid "B " and resid 120 and name HB3 ))
(( segid "B " and resid 122 and name H ))
ASSI { 263}
(( segid "B " and resid 140 and name HG2 ))
(( segid "B " and resid 140 and name HB2 ))
1.900 .500 .500 peak 263 spectrum 1 weight .10000E+01 volume .22270E-01 ppm1 2.568 ppm2 2.027 CV 1
OR { 263}
(( segid "B " and resid 144 and name HG2 ))
(( segid "B " and resid 144 and name HB3 ))
OR { 263}
(( segid "B " and resid 144 and name HG2 ))
(( segid "B " and resid 144 and name HB2 ))
OR { 263}
(( segid "B " and resid 140 and name HG2 ))
( segid "B " and resid 140 and name HE% )
ASSI { 479}
(( segid "B " and resid 121 and name HB3 ))
(( segid "B " and resid 122 and name HG ))
3.600 1.600 1.600 peak 479 spectrum 1 weight .10000E+01 volume .11255E-02 ppm1 2.696 ppm2 1.574 CV 1
OR { 479}
(( segid "B " and resid 121 and name HB3 ))
(( segid "B " and resid 124 and name HB2 ))
OR { 479}
(( segid "B " and resid 121 and name HB3 ))
(( segid "B " and resid 124 and name HD3 ))
OR { 479}
(( segid "B " and resid 121 and name HB3 ))
(( segid "B " and resid 124 and name HD2 ))
OR { 479}
(( segid "B " and resid 121 and name HB3 ))
(( segid "B " and resid 122 and name HB2 ))
ASSI { 127}
(( segid "B " and resid 115 and name HB3 ))
(( segid "B " and resid 115 and name H ))
3.300 1.400 1.400 peak 127 spectrum 1 weight .10000E+01 volume .11360E-02 ppm1 3.853 ppm2 8.310 CV 1
OR { 127}
(( segid "B " and resid 115 and name HB2 ))
(( segid "B " and resid 115 and name H ))
OR { 127}
(( segid "B " and resid 137 and name HB3 ))
(( segid "B " and resid 137 and name H ))
ASSI { 75}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 151 and name H ))
3.800 1.800 1.800 peak 75 spectrum 1 weight .10000E+01 volume .54966E-03 ppm1 1.429 ppm2 8.167 CV 1
OR { 75}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 148 and name H ))
ASSI { 271}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 151 and name HB3 ))
3.100 1.200 1.200 peak 271 spectrum 1 weight .10000E+01 volume .12040E-02 ppm1 1.167 ppm2 1.911 CV 1
OR { 271}
( segid "B " and resid 155 and name HG2%)
(( segid "B " and resid 156 and name HB3 ))
ASSI { 201}
(( segid "B " and resid 147 and name HA ))
(( segid "B " and resid 148 and name H ))
3.000 1.100 1.100 peak 201 spectrum 1 weight .10000E+01 volume .15443E-02 ppm1 4.283 ppm2 8.122 CV 1
OR { 201}
(( segid "B " and resid 147 and name HA ))
(( segid "B " and resid 151 and name H ))
ASSI { 404}
(( segid "B " and resid 121 and name HB3 ))
(( segid "B " and resid 121 and name H ))
2.800 1.000 1.000 peak 404 spectrum 1 weight .10000E+01 volume .38163E-02 ppm1 2.682 ppm2 8.223 CV 1
OR { 404}
(( segid "B " and resid 142 and name HB3 ))
(( segid "B " and resid 142 and name H ))
OR { 404}
(( segid "B " and resid 142 and name HB2 ))
(( segid "B " and resid 142 and name H ))
ASSI { 186}
(( segid "B " and resid 125 and name HB2 ))
( segid "B " and resid 125 and name HD1%)
2.100 .600 .600 peak 186 spectrum 1 weight .10000E+01 volume .18642E-01 ppm1 1.646 ppm2 .879 CV 1
OR { 186}
(( segid "B " and resid 143 and name HB3 ))
( segid "B " and resid 143 and name HD1%)
OR { 186}
(( segid "B " and resid 145 and name HB3 ))
( segid "B " and resid 145 and name HD1%)
OR { 186}
(( segid "B " and resid 132 and name HB2 ))
( segid "B " and resid 132 and name HD1%)
OR { 186}
(( segid "B " and resid 114 and name HB2 ))
( segid "B " and resid 114 and name HD1%)
OR { 186}
(( segid "B " and resid 114 and name HB2 ))
( segid "B " and resid 114 and name HD2%)
OR { 186}
(( segid "B " and resid 125 and name HB2 ))
( segid "B " and resid 125 and name HD2%)
ASSI { 109}
(( segid "B " and resid 144 and name HG3 ))
( segid "A " and resid 19 and name HG1%)
4.300 2.300 1.700 peak 109 spectrum 1 weight .10000E+01 volume .48162E-03 ppm1 2.463 ppm2 .822 CV 1
OR { 109}
(( segid "B " and resid 144 and name HG3 ))
( segid "B " and resid 145 and name HD2%)
OR { 109}
(( segid "B " and resid 144 and name HG3 ))
( segid "B " and resid 143 and name HD1%)
ASSI { 223}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 148 and name HA ))
4.000 2.000 2.000 peak 223 spectrum 1 weight .10000E+01 volume .68579E-03 ppm1 1.066 ppm2 4.487 CV 1
OR { 223}
(( segid "B " and resid 150 and name HG13))
(( segid "B " and resid 149 and name HA ))
ASSI { 301}
(( segid "B " and resid 141 and name HA ))
(( segid "B " and resid 141 and name H ))
2.300 .700 .700 peak 301 spectrum 1 weight .10000E+01 volume .89989E-02 ppm1 4.536 ppm2 8.230 CV 1
OR { 301}
(( segid "B " and resid 142 and name HA ))
(( segid "B " and resid 142 and name H ))
OR { 301}
(( segid "B " and resid 121 and name HA ))
(( segid "B " and resid 121 and name H ))
ASSI { 230}
(( segid "B " and resid 140 and name HG3 ))
(( segid "B " and resid 147 and name HD3 ))
3.200 1.300 1.300 peak 230 spectrum 1 weight .10000E+01 volume .36645E-03 ppm1 2.675 ppm2 3.681 CV 1
OR { 230}
(( segid "B " and resid 140 and name HG3 ))
(( segid "A " and resid 41 and name HB3 ))
ASSI { 182}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 124 and name H ))
2.900 1.000 1.000 peak 182 spectrum 1 weight .10000E+01 volume .35441E-02 ppm1 4.496 ppm2 7.544 CV 1
OR { 182}
(( segid "B " and resid 123 and name HA ))
(( segid "B " and resid 123 and name HE3 ))
ASSI { 6}
(( segid "B " and resid 147 and name HB2 ))
(( segid "B " and resid 147 and name HB3 ))
1.300 .200 .900 peak 6 spectrum 1 weight .10000E+01 volume .77185E-01 ppm1 2.238 ppm2 1.960 CV 1
OR { 6}
(( segid "B " and resid 158 and name HB3 ))
(( segid "B " and resid 158 and name HB2 ))
OR { 6}
(( segid "B " and resid 160 and name HB3 ))
(( segid "B " and resid 160 and name HB2 ))
OR { 6}
(( segid "B " and resid 134 and name HB3 ))
(( segid "B " and resid 134 and name HB2 ))
OR { 6}
(( segid "B " and resid 160 and name HB3 ))
(( segid "B " and resid 160 and name HG3 ))
OR { 6}
(( segid "B " and resid 158 and name HB3 ))
(( segid "B " and resid 158 and name HG3 ))
ASSI { 106}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 147 and name HG3 ))
3.000 1.100 1.100 peak 106 spectrum 1 weight .10000E+01 volume .14710E-02 ppm1 .766 ppm2 2.019 CV 1
OR { 106}
( segid "B " and resid 150 and name HD1%)
(( segid "B " and resid 151 and name HB2 ))
ASSI { 192}
(( segid "B " and resid 135 and name HB3 ))
(( segid "B " and resid 135 and name HA ))
2.900 1.000 1.000 peak 192 spectrum 1 weight .10000E+01 volume .21987E-02 ppm1 1.635 ppm2 4.566 CV 1
OR { 192}
(( segid "B " and resid 126 and name HB2 ))
(( segid "B " and resid 126 and name HA ))
ASSI { 25}
( segid "B " and resid 144 and name HE% )
( segid "B " and resid 143 and name HD2%)
2.200 .600 .600 peak 25 spectrum 1 weight .10000E+01 volume .38006E-02 ppm1 2.044 ppm2 .792 CV 1
OR { 25}
( segid "B " and resid 144 and name HE% )
( segid "A " and resid 19 and name HG1%)
ASSI { 573}
( segid "B " and resid 144 and name HE% )
(( segid "B " and resid 145 and name H ))
3.000 1.100 1.100 peak 573 spectrum 1 weight .10000E+01 volume .58633E-03 ppm1 2.035 ppm2 7.999 CV 1
OR { 573}
( segid "B " and resid 144 and name HE% )
(( segid "A " and resid 46 and name H ))
OR { 573}
( segid "B " and resid 144 and name HE% )
(( segid "B " and resid 143 and name H ))
OR { 573}
( segid "B " and resid 144 and name HE% )
(( segid "A " and resid 47 and name H ))
ASSI { 367}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 148 and name HA ))
3.900 1.900 1.900 peak 367 spectrum 1 weight .10000E+01 volume .78524E-03 ppm1 1.421 ppm2 4.477 CV 1
OR { 367}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 149 and name HA ))
OR { 367}
(( segid "B " and resid 150 and name HG12))
(( segid "B " and resid 145 and name HA ))
ASSI { 92}
(( segid "B " and resid 153 and name HZ2 ))
(( segid "A " and resid 12 and name HG2 ))
3.100 3.100 2.900 peak 92 spectrum 1 weight .10000E+01 volume .48684E-03 ppm1 7.339 ppm2 2.195 CV 1
OR { 92}
(( segid "B " and resid 153 and name HZ2 ))
(( segid "A " and resid 24 and name HB2 ))
OR { 92}
(( segid "B " and resid 153 and name HZ2 ))
(( segid "B " and resid 151 and name HG2 ))
OR { 92}
(( segid "B " and resid 153 and name HZ2 ))
(( segid "B " and resid 151 and name HG3 ))
ASSI { 158}
(( segid "B " and resid 144 and name HG2 ))
( segid "A " and resid 19 and name HG1%)
4.000 2.000 2.000 peak 158 spectrum 1 weight .10000E+01 volume .62822E-03 ppm1 2.579 ppm2 .843 CV 1
OR { 158}
(( segid "B " and resid 144 and name HG2 ))
( segid "B " and resid 145 and name HD2%)
OR { 158}
(( segid "B " and resid 144 and name HG2 ))
( segid "B " and resid 145 and name HD1%)
ASSI { 586}
(( segid "B " and resid 155 and name HB ))
(( segid "B " and resid 156 and name H ))
3.400 1.400 1.400 peak 586 spectrum 1 weight .10000E+01 volume .13506E-02 ppm1 4.150 ppm2 8.291 CV 1
OR { 586}
(( segid "B " and resid 118 and name HB ))
(( segid "B " and resid 119 and name H ))
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