NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
13272 |
1ugl   |
5848 | cing | recoord | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.100 .600 .600 peak 6 spectrum 1 weight .10000E+01 volume .91845E-02 ppm1 8.267 ppm2 4.857 CV
OR { 6}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
OR { 6}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
ASSI { 7}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB ))
2.500 .800 .800 peak 7 spectrum 1 weight .10000E+01 volume .29048E-02 ppm1 8.269 ppm2 3.947 CV
OR { 7}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB ))
ASSI { 25}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB3 ))
2.400 .700 .700 peak 25 spectrum 1 weight .10000E+01 volume .43007E-02 ppm1 8.223 ppm2 1.605 CV
OR { 25}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 28}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA2 ))
2.300 .700 .700 peak 28 spectrum 1 weight .10000E+01 volume .47016E-02 ppm1 8.182 ppm2 3.723 CV
OR { 28}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA2 ))
ASSI { 48}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
2.300 .700 .700 peak 48 spectrum 1 weight .10000E+01 volume .46652E-02 ppm1 2.168 ppm2 4.003 CV
OR { 48}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HA ))
ASSI { 49}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
2.200 .600 .600 peak 49 spectrum 1 weight .10000E+01 volume .71071E-02 ppm1 2.135 ppm2 4.001 CV
OR { 49}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
ASSI { 56}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 22 and name HA ))
2.300 .700 .700 peak 56 spectrum 1 weight .10000E+01 volume .48838E-02 ppm1 1.923 ppm2 3.999 CV
OR { 56}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HA ))
ASSI { 58}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HA ))
4.400 2.400 1.600 peak 58 spectrum 1 weight .10000E+01 volume .11481E-03 ppm1 2.888 ppm2 4.003 CV
OR { 58}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 84}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HA ))
2.400 .700 .700 peak 84 spectrum 1 weight .10000E+01 volume .45193E-02 ppm1 2.035 ppm2 4.454 CV
OR { 84}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HA ))
ASSI { 86}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HA ))
2.700 .900 .900 peak 86 spectrum 1 weight .10000E+01 volume .21540E-02 ppm1 1.6 ppm2 4.46 CV
OR { 86}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HA ))
OR { 86}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HA ))
ASSI { 89}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB3 ))
3.000 1.100 1.100 peak 89 spectrum 1 weight .10000E+01 volume .10861E-02 ppm1 8.556 ppm2 2.04 CV
OR { 89}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 104}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 34 and name HA ))
2.000 2.000 4.000 peak 104 spectrum 1 weight .10000E+01 volume .11043E-01 ppm1 1.175 ppm2 4.63 CV
OR { 104}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 18 and name HA ))
ASSI { 123}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.400 .700 .700 peak 123 spectrum 1 weight .10000E+01 volume .40455E-02 ppm1 8.437 ppm2 4.295 CV
OR { 123}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
ASSI { 130}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
2.600 .800 .800 peak 130 spectrum 1 weight .10000E+01 volume .28027E-02 ppm1 8.446 ppm2 1.951 CV
OR { 130}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ))
ASSI { 140}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB3 ))
2.700 .900 .900 peak 140 spectrum 1 weight .10000E+01 volume .22561E-02 ppm1 8.522 ppm2 2.953 CV
OR { 140}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 12 and name HE2 ))
ASSI { 144}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.500 .800 .800 peak 144 spectrum 1 weight .10000E+01 volume .30068E-02 ppm1 8.954 ppm2 2.485 CV
OR { 144}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
ASSI { 150}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 46 and name HA ))
2.500 .800 .800 peak 150 spectrum 1 weight .10000E+01 volume .33859E-02 ppm1 2.971 ppm2 5.082 CV
OR { 150}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 47 and name HA ))
OR { 150}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 46 and name HA ))
ASSI { 152}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 25 and name HE2 ))
2.300 2.300 3.700 peak 152 spectrum 1 weight .10000E+01 volume .55763E-02 ppm1 7.198 ppm2 2.982 CV
OR { 152}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 25 and name HE3 ))
OR { 152}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 6 and name HB3 ))
ASSI { 174}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.200 .600 .600 peak 174 spectrum 1 weight .10000E+01 volume .60501E-02 ppm1 7.974 ppm2 5.078 CV
OR { 174}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 46 and name HA ))
ASSI { 182}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
2.100 .600 .600 peak 182 spectrum 1 weight .10000E+01 volume .79818E-02 ppm1 9.023 ppm2 5.066 CV
OR { 182}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
ASSI { 183}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.800 1.000 1.000 peak 183 spectrum 1 weight .10000E+01 volume .15453E-02 ppm1 8.627 ppm2 1.818 CV
OR { 183}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HB2 ))
ASSI { 193}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HA ))
3.000 3.000 3.000 peak 193 spectrum 1 weight .10000E+01 volume .11481E-02 ppm1 8.812 ppm2 4.139 CV
OR { 193}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 20 and name HA ))
ASSI { 206}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
2.600 2.600 3.400 peak 206 spectrum 1 weight .10000E+01 volume .23763E-02 ppm1 8.084 ppm2 1.563 CV
OR { 206}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HB3 ))
ASSI { 225}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
2.200 .600 .600 peak 225 spectrum 1 weight .10000E+01 volume .69249E-02 ppm1 8.958 ppm2 5.433 CV
OR { 225}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
ASSI { 244}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HA ))
2.700 .900 .900 peak 244 spectrum 1 weight .10000E+01 volume .22123E-02 ppm1 2.628 ppm2 4.444 CV
OR { 244}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HA ))
ASSI { 262}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
2.100 .500 .500 peak 262 spectrum 1 weight .10000E+01 volume .92573E-02 ppm1 8.457 ppm2 4.447 CV
OR { 262}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
OR { 262}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
ASSI { 264}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA1 ))
2.400 .700 .700 peak 264 spectrum 1 weight .10000E+01 volume .38269E-02 ppm1 8.158 ppm2 4.459 CV
OR { 264}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA1 ))
ASSI { 265}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
2.200 .600 .600 peak 265 spectrum 1 weight .10000E+01 volume .69249E-02 ppm1 8.521 ppm2 4.842 CV
OR { 265}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 7 and name HA ))
ASSI { 270}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HG2%)
2.400 .700 .700 peak 270 spectrum 1 weight .10000E+01 volume .43736E-02 ppm1 8.248 ppm2 1.112 CV
OR { 270}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 279}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.800 1.000 1.000 peak 279 spectrum 1 weight .10000E+01 volume .17166E-02 ppm1 8.028 ppm2 4.186 CV
OR { 279}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HA ))
ASSI { 281}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 23 and name HA ))
3.100 1.200 1.200 peak 281 spectrum 1 weight .10000E+01 volume .92942E-03 ppm1 8.026 ppm2 4 CV
OR { 281}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HA ))
ASSI { 298}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.100 1.200 1.200 peak 298 spectrum 1 weight .10000E+01 volume .92210E-03 ppm1 7.957 ppm2 3.923 CV
OR { 298}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 7 and name HB ))
ASSI { 317}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HG2 ))
2.900 2.900 3.100 peak 317 spectrum 1 weight .10000E+01 volume .13194E-02 ppm1 8.269 ppm2 0.524 CV
OR { 317}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HG3 ))
OR { 317}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 339}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG3 ))
3.200 1.300 1.300 peak 339 spectrum 1 weight .10000E+01 volume .71071E-03 ppm1 8.441 ppm2 2.454 CV
OR { 339}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG3 ))
ASSI { 340}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG2 ))
3.200 1.300 1.300 peak 340 spectrum 1 weight .10000E+01 volume .77630E-03 ppm1 8.441 ppm2 2.539 CV
OR { 340}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG2 ))
ASSI { 362}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HD2 ))
3.000 1.200 1.200 peak 362 spectrum 1 weight .10000E+01 volume .97675E-03 ppm1 8.222 ppm2 1.337 CV
OR { 362}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HD3 ))
OR { 362}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HD2 ))
ASSI { 403}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HD3 ))
3.200 1.300 1.300 peak 403 spectrum 1 weight .10000E+01 volume .76902E-03 ppm1 8.556 ppm2 3.656 CV
OR { 403}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HA1 ))
ASSI { 406}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.900 2.900 3.100 peak 406 spectrum 1 weight .10000E+01 volume .12064E-02 ppm1 8.425 ppm2 2.882 CV
OR { 406}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 23 and name HE3 ))
ASSI { 411}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 15 and name HB3 ))
2.800 2.800 3.200 peak 411 spectrum 1 weight .10000E+01 volume .15052E-02 ppm1 8.431 ppm2 1.872 CV
OR { 411}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 15 and name HB3 ))
OR { 411}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 418}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB3 ))
2.800 1.000 1.000 peak 418 spectrum 1 weight .10000E+01 volume .15125E-02 ppm1 8.372 ppm2 1.624 CV
OR { 418}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB3 ))
ASSI { 433}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG2 ))
2.900 1.100 1.100 peak 433 spectrum 1 weight .10000E+01 volume .12829E-02 ppm1 8.084 ppm2 1.425 CV
OR { 433}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HD3 ))
OR { 433}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 459}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HB3 ))
3.200 3.200 2.800 peak 459 spectrum 1 weight .10000E+01 volume .73258E-03 ppm1 8.043 ppm2 3.13 CV
OR { 459}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 28 and name HB3 ))
ASSI { 460}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HG2 ))
2.900 1.100 1.100 peak 460 spectrum 1 weight .10000E+01 volume .11991E-02 ppm1 8.043 ppm2 1.612 CV
OR { 460}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 462}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 43 and name HB3 ))
2.600 .800 .800 peak 462 spectrum 1 weight .10000E+01 volume .28538E-02 ppm1 8.662 ppm2 3.398 CV
OR { 462}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 467}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.100 1.200 1.200 peak 467 spectrum 1 weight .10000E+01 volume .93671E-03 ppm1 8.849 ppm2 2.632 CV
OR { 467}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 46 and name HB3 ))
ASSI { 473}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 33 and name HB3 ))
3.400 1.400 1.400 peak 473 spectrum 1 weight .10000E+01 volume .53576E-03 ppm1 2.624 ppm2 3.245 CV
OR { 473}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 33 and name HB3 ))
ASSI { 494}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HA ))
3.000 3.000 3.000 peak 494 spectrum 1 weight .10000E+01 volume .11006E-02 ppm1 3.991 ppm2 4.187 CV
OR { 494}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HA ))
OR { 494}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HA ))
ASSI { 527}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 24 and name HB2 ))
3.500 1.500 1.500 peak 527 spectrum 1 weight .10000E+01 volume .42278E-03 ppm1 7.193 ppm2 2.629 CV
OR { 527}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 30 and name HD3 ))
ASSI { 537}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 16 and name HB2 ))
2.800 2.800 3.200 peak 537 spectrum 1 weight .10000E+01 volume .16766E-02 ppm1 10.035 ppm2 2.861 CV
OR { 537}
(( segid " " and resid 43 and name HE1 ))
(( segid " " and resid 37 and name HB3 ))
ASSI { 547}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 45 and name HB3 ))
3.300 1.400 1.400 peak 547 spectrum 1 weight .10000E+01 volume .59407E-03 ppm1 6.696 ppm2 2.95 CV
OR { 547}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 24 and name HB3 ))
ASSI { 550}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 22 and name HA ))
2.900 1.000 1.000 peak 550 spectrum 1 weight .10000E+01 volume .13995E-02 ppm1 1.218 ppm2 3.996 CV
OR { 550}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 23 and name HA ))
ASSI { 552}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 23 and name HB3 ))
2.700 2.700 3.300 peak 552 spectrum 1 weight .10000E+01 volume .18406E-02 ppm1 0.863 ppm2 1.933 CV
OR { 552}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 20 and name HG3 ))
ASSI { 561}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 20 and name HA ))
2.500 2.500 3.500 peak 561 spectrum 1 weight .10000E+01 volume .36228E-02 ppm1 3.999 ppm2 4.134 CV
OR { 561}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 20 and name HA ))
ASSI { 568}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 11 and name HD2 ))
2.600 2.600 3.400 peak 568 spectrum 1 weight .10000E+01 volume .23144E-02 ppm1 1.117 ppm2 3.095 CV
OR { 568}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 11 and name HD3 ))
OR { 568}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 11 and name HD2 ))
ASSI { 569}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HA ))
2.700 2.700 3.300 peak 569 spectrum 1 weight .10000E+01 volume .20993E-02 ppm1 8.358 ppm2 4.008 CV
OR { 569}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HB ))
ASSI { 570}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.600 .800 .800 peak 570 spectrum 1 weight .10000E+01 volume .27480E-02 ppm1 8.223 ppm2 1.565 CV
OR { 570}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 23 and name HG2 ))
OR { 570}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 11 and name HG3 ))
ASSI { 572}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB3 ))
2.600 .800 .800 peak 572 spectrum 1 weight .10000E+01 volume .26970E-02 ppm1 8.271 ppm2 2.975 CV
OR { 572}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HE3 ))
ASSI { 573}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 45 and name HB3 ))
3.100 1.200 1.200 peak 573 spectrum 1 weight .10000E+01 volume .93671E-03 ppm1 8.25 ppm2 2.958 CV
OR { 573}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB3 ))
OR { 573}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 12 and name HE2 ))
ASSI { 581}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HG3 ))
3.000 3.000 3.000 peak 581 spectrum 1 weight .10000E+01 volume .10569E-02 ppm1 7.974 ppm2 1.622 CV
OR { 581}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 30 and name HG2 ))
OR { 581}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 12 and name HB3 ))
ASSI { 593}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 48 and name HA ))
3.500 1.500 1.500 peak 593 spectrum 1 weight .10000E+01 volume .45558E-03 ppm1 8.626 ppm2 4.303 CV
OR { 593}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HA ))
ASSI { 599}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
2.000 2.000 4.000 peak 599 spectrum 1 weight .10000E+01 volume .13522E-01 ppm1 2.965 ppm2 3.278 CV
OR { 599}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
OR { 599}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
OR { 599}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
OR { 599}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 600}
( segid " " and resid 27 and name HD2%)
(( segid " " and resid 23 and name HG2 ))
3.000 1.100 1.100 peak 600 spectrum 1 weight .10000E+01 volume .10423E-02 ppm1 0.607 ppm2 1.555 CV
OR { 600}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 23 and name HG2 ))
OR { 600}
( segid " " and resid 27 and name HD2%)
(( segid " " and resid 11 and name HG3 ))
ASSI { 621}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HB3 ))
2.100 .500 .500 peak 621 spectrum 1 weight .10000E+01 volume .96586E-02 ppm1 2.653 ppm2 2.945 CV
OR { 621}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 638}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG2 ))
1.900 .400 .400 peak 638 spectrum 1 weight .10000E+01 volume .19572E-01 ppm1 2.294 ppm2 2.148 CV
OR { 638}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HB2 ))
OR { 638}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 643}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HB3 ))
2.600 .800 .800 peak 643 spectrum 1 weight .10000E+01 volume .26242E-02 ppm1 1.437 ppm2 1.921 CV
OR { 643}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HB3 ))
ASSI { 646}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 4 and name HB3 ))
2.600 .800 .800 peak 646 spectrum 1 weight .10000E+01 volume .26242E-02 ppm1 1.494 ppm2 1.817 CV
OR { 646}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 4 and name HB2 ))
OR { 646}
(( segid " " and resid 4 and name HG3 ))
(( segid " " and resid 4 and name HB3 ))
OR { 646}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 48 and name HB2 ))
ASSI { 666}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
2.300 .700 .700 peak 666 spectrum 1 weight .10000E+01 volume .51025E-02 ppm1 2.216 ppm2 4.011 CV
OR { 666}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 22 and name HA ))
ASSI { 670}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.700 2.700 3.300 peak 670 spectrum 1 weight .10000E+01 volume .21831E-02 ppm1 1.948 ppm2 4.52 CV
OR { 670}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 15 and name HA ))
ASSI { 677}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 28 and name HD% )
2.500 .800 .800 peak 677 spectrum 1 weight .10000E+01 volume .36228E-02 ppm1 2.969 ppm2 7.206 CV
OR { 677}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 28 and name HD% )
ASSI { 685}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 48 and name HB2 ))
2.500 2.500 3.500 peak 685 spectrum 1 weight .10000E+01 volume .34004E-02 ppm1 2.155 ppm2 1.804 CV
OR { 685}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 4 and name HB2 ))
OR { 685}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 4 and name HB3 ))
ASSI { 700}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 15 and name HG2 ))
3.100 1.200 1.200 peak 700 spectrum 1 weight .10000E+01 volume .80911E-03 ppm1 8.422 ppm2 1.423 CV
OR { 700}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 23 and name HD2 ))
OR { 700}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 15 and name HG3 ))
OR { 700}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 710}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 43 and name HE1 ))
2.900 2.900 3.100 peak 710 spectrum 1 weight .10000E+01 volume .13121E-02 ppm1 1.685 ppm2 10.035 CV
OR { 710}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 43 and name HE1 ))
ASSI { 713}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 29 and name HD3 ))
3.300 1.400 1.400 peak 713 spectrum 1 weight .10000E+01 volume .57950E-03 ppm1 7.228 ppm2 3.667 CV
OR { 713}
( segid " " and resid 10 and name HD% )
(( segid " " and resid 9 and name HA2 ))
ASSI { 718}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 44 and name HA ))
3.000 1.200 1.200 peak 718 spectrum 1 weight .10000E+01 volume .97675E-03 ppm1 8.369 ppm2 4.846 CV
OR { 718}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HA ))
ASSI { 719}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 7 and name HN ))
2.900 1.000 1.000 peak 719 spectrum 1 weight .10000E+01 volume .13302E-02 ppm1 2.968 ppm2 8.278 CV
OR { 719}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
ASSI { 737}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG2 ))
2.900 1.100 1.100 peak 737 spectrum 1 weight .10000E+01 volume .11918E-02 ppm1 8.344 ppm2 1.602 CV
OR { 737}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG3 ))
OR { 737}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB3 ))
ASSI { 746}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HB3 ))
2.500 .800 .800 peak 746 spectrum 1 weight .10000E+01 volume .30870E-02 ppm1 1.317 ppm2 1.624 CV
OR { 746}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HB3 ))
OR { 746}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 11 and name HB3 ))
ASSI { 747}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 14 and name HA2 ))
3.400 1.400 1.400 peak 747 spectrum 1 weight .10000E+01 volume .55398E-03 ppm1 1.41 ppm2 3.721 CV
OR { 747}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 14 and name HA2 ))
OR { 747}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 44 and name HB2 ))
OR { 747}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 44 and name HB3 ))
ASSI { 748}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 20 and name HA ))
2.500 .800 .800 peak 748 spectrum 1 weight .10000E+01 volume .31015E-02 ppm1 1.926 ppm2 4.127 CV
OR { 748}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HA ))
ASSI { 750}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.300 1.300 1.300 peak 750 spectrum 1 weight .10000E+01 volume .62323E-03 ppm1 8.27 ppm2 3.72 CV
OR { 750}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 44 and name HB2 ))
OR { 750}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 44 and name HB3 ))
ASSI { 752}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 4 and name HB3 ))
2.000 .500 .500 peak 752 spectrum 1 weight .10000E+01 volume .11408E-01 ppm1 1.609 ppm2 1.809 CV
OR { 752}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 4 and name HB3 ))
OR { 752}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 4 and name HB2 ))
OR { 752}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 4 and name HB2 ))
OR { 752}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 4 and name HB3 ))
ASSI { 754}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HD3 ))
2.100 .500 .500 peak 754 spectrum 1 weight .10000E+01 volume .10315E-01 ppm1 1.393 ppm2 1.636 CV
OR { 754}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG3 ))
OR { 754}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HD2 ))
OR { 754}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HD2 ))
ASSI { 758}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 27 and name HD1%)
3.200 1.300 1.300 peak 758 spectrum 1 weight .10000E+01 volume .70342E-03 ppm1 1.535 ppm2 0.754 CV
OR { 758}
(( segid " " and resid 11 and name HG3 ))
( segid " " and resid 27 and name HD1%)
ASSI { 759}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 27 and name HD2%)
3.200 1.300 1.300 peak 759 spectrum 1 weight .10000E+01 volume .69613E-03 ppm1 1.536 ppm2 0.709 CV
OR { 759}
(( segid " " and resid 11 and name HG3 ))
( segid " " and resid 27 and name HD2%)
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