NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
605697 |
5frh   |
25956 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 29}
( resid 57 and name HG1#)
( resid 57 and name HG2#)
4.000 2.200 0.000 peak 29 weight 1.00000E+00 volume 2.48827E+09 ppm1 1.071 ppm2 0.836
OR { 29}
(( resid 48 and name HG ))
( resid 57 and name HG2#)
ASSI { 37}
(( resid 90 and name HA ))
(( resid 90 and name HB1 ))
2.800 1.000 0.000 peak 37 weight 1.00000E+00 volume 1.02107E+09 ppm1 4.400 ppm2 3.789
OR { 37}
(( resid 90 and name HA ))
(( resid 5 and name HB1 ))
OR { 37}
(( resid 5 and name HA ))
(( resid 90 and name HB1 ))
OR { 37}
(( resid 5 and name HA ))
(( resid 5 and name HB1 ))
ASSI { 38}
( resid 41 and name HE# )
( resid 41 and name HD# )
2.800 1.000 0.000 peak 38 weight 1.00000E+00 volume 3.67358E+09 ppm1 7.142 ppm2 7.070
OR { 38}
(( resid 41 and name HZ ))
( resid 41 and name HD# )
ASSI { 67}
(( resid 81 and name HN ))
(( resid 51 and name HB1 ))
4.000 2.200 0.000 peak 67 weight 1.00000E+00 volume 2.19388E+08 ppm1 7.710 ppm2 3.473
OR { 67}
(( resid 81 and name HN ))
(( resid 78 and name HA ))
ASSI { 152}
(( resid 53 and name HA ))
( resid 53 and name HB# )
4.000 2.200 0.000 peak 152 weight 1.00000E+00 volume 2.95244E+08 ppm1 4.519 ppm2 1.705
OR { 152}
(( resid 53 and name HA ))
(( resid 53 and name HG ))
ASSI { 169}
(( resid 86 and name HB1 ))
( resid 85 and name HG2#)
4.000 2.200 0.000 peak 169 weight 1.00000E+00 volume 7.13822E+08 ppm1 1.658 ppm2 0.427
OR { 169}
(( resid 86 and name HB1 ))
( resid 85 and name HD1#)
ASSI { 380}
(( resid 89 and name HA ))
( resid 84 and name HD2#)
5.000 3.200 0.000 peak 380 weight 1.00000E+00 volume 2.44212E+08 ppm1 4.400 ppm2 0.852
OR { 380}
(( resid 90 and name HA ))
( resid 84 and name HD2#)
ASSI { 406}
(( resid 37 and name HN ))
(( resid 37 and name HA ))
4.000 2.200 0.000 peak 406 weight 1.00000E+00 volume 4.62907E+08 ppm1 7.994 ppm2 4.168
OR { 406}
(( resid 37 and name HN ))
(( resid 34 and name HA ))
ASSI { 411}
(( resid 35 and name HN ))
(( resid 58 and name HD1 ))
4.000 2.200 0.000 peak 411 weight 1.00000E+00 volume 3.58130E+08 ppm1 7.901 ppm2 1.577
OR { 411}
(( resid 35 and name HN ))
( resid 34 and name HB# )
OR { 411}
(( resid 58 and name HN ))
(( resid 58 and name HD1 ))
OR { 411}
(( resid 58 and name HN ))
( resid 34 and name HB# )
ASSI { 449}
(( resid 53 and name HN ))
( resid 53 and name HB# )
2.800 1.000 0.000 peak 449 weight 1.00000E+00 volume 3.81804E+08 ppm1 8.133 ppm2 1.696
OR { 449}
(( resid 53 and name HN ))
(( resid 53 and name HG ))
ASSI { 454}
( resid 53 and name HB# )
( resid 53 and name HD2#)
4.000 2.200 0.000 peak 454 weight 1.00000E+00 volume 1.65095E+09 ppm1 1.701 ppm2 0.881
OR { 454}
(( resid 53 and name HG ))
( resid 53 and name HD2#)
ASSI { 455}
( resid 53 and name HB# )
( resid 53 and name HD1#)
4.000 2.200 0.000 peak 455 weight 1.00000E+00 volume 1.84894E+09 ppm1 1.703 ppm2 0.770
OR { 455}
(( resid 53 and name HG ))
( resid 53 and name HD1#)
ASSI { 496}
(( resid 87 and name HN ))
(( resid 84 and name HA ))
4.000 2.200 0.000 peak 496 weight 1.00000E+00 volume 6.00936E+08 ppm1 7.700 ppm2 4.013
OR { 496}
(( resid 87 and name HN ))
(( resid 59 and name HA ))
OR { 496}
(( resid 62 and name HN ))
(( resid 84 and name HA ))
OR { 496}
(( resid 62 and name HN ))
(( resid 59 and name HA ))
ASSI { 514}
( resid 41 and name HD# )
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 514 weight 1.00000E+00 volume 3.37436E+08 ppm1 7.071 ppm2 3.869
OR { 514}
( resid 41 and name HD# )
(( resid 17 and name HA ))
ASSI { 517}
(( resid 37 and name HZ ))
( resid 37 and name HD# )
2.800 1.000 0.000 peak 517 weight 1.00000E+00 volume 3.76736E+09 ppm1 7.003 ppm2 6.891
OR { 517}
( resid 37 and name HE# )
( resid 37 and name HD# )
ASSI { 530}
( resid 51 and name HD# )
(( resid 14 and name HB1 ))
6.000 4.200 0.000 peak 530 weight 1.00000E+00 volume 9.25881E+07 ppm1 7.262 ppm2 3.174
OR { 530}
( resid 51 and name HD# )
(( resid 47 and name HB1 ))
!ASSI { 539}
! ( resid 37 and name HD# )
! (( resid 38 and name HA ))
!
! 5.000 3.200 0.000 peak 539 weight 1.00000E+00 volume 1.39422E+08 ppm1 6.889 ppm2 3.869
! OR { 539}
! ( resid 37 and name HD# )
! (( resid 17 and name HA ))
ASSI { 544}
(( resid 51 and name HN ))
(( resid 85 and name HB ))
5.000 3.200 0.000 peak 544 weight 1.00000E+00 volume 1.14051E+08 ppm1 6.892 ppm2 1.618
OR { 544}
(( resid 51 and name HN ))
(( resid 50 and name HD1 ))
ASSI { 545}
( resid 37 and name HD# )
( resid 60 and name HD1#)
6.000 4.200 0.000 peak 545 weight 1.00000E+00 volume 2.05623E+08 ppm1 6.888 ppm2 0.828
OR { 545}
( resid 37 and name HD# )
( resid 21 and name HD1#)
ASSI { 563}
( resid 22 and name HD# )
(( resid 21 and name HG ))
4.000 2.200 0.000 peak 563 weight 1.00000E+00 volume 4.35965E+08 ppm1 6.954 ppm2 1.536
OR { 563}
( resid 22 and name HD# )
(( resid 82 and name HG ))
ASSI { 578}
( resid 51 and name HE# )
( resid 84 and name HD2#)
6.000 4.200 0.000 peak 578 weight 1.00000E+00 volume 1.38506E+08 ppm1 6.776 ppm2 0.851
OR { 578}
( resid 51 and name HE# )
( resid 82 and name HD1#)
ASSI { 588}
( resid 51 and name HD# )
( resid 84 and name HD1#)
5.000 3.200 0.000 peak 588 weight 1.00000E+00 volume 3.63904E+08 ppm1 7.262 ppm2 0.978
OR { 588}
( resid 51 and name HD# )
( resid 91 and name HG2#)
ASSI { 589}
( resid 51 and name HE# )
( resid 84 and name HD1#)
6.000 4.200 0.000 peak 589 weight 1.00000E+00 volume 2.17106E+08 ppm1 6.769 ppm2 0.979
OR { 589}
( resid 51 and name HE# )
( resid 91 and name HG2#)
ASSI { 592}
(( resid 90 and name HA ))
( resid 84 and name HD1#)
5.000 3.200 0.000 peak 592 weight 1.00000E+00 volume 3.71677E+08 ppm1 4.401 ppm2 0.978
OR { 592}
(( resid 90 and name HA ))
( resid 91 and name HG2#)
ASSI { 594}
( resid 41 and name HD# )
( resid 58 and name HD# )
5.000 3.200 0.000 peak 594 weight 1.00000E+00 volume 2.70080E+08 ppm1 7.069 ppm2 1.575
OR { 594}
( resid 41 and name HD# )
( resid 34 and name HB# )
ASSI { 595}
( resid 41 and name HE# )
(( resid 37 and name HA ))
4.000 2.200 0.000 peak 595 weight 1.00000E+00 volume 2.98148E+08 ppm1 7.145 ppm2 4.165
OR { 595}
(( resid 41 and name HZ ))
(( resid 37 and name HA ))
ASSI { 598}
( resid 24 and name HE# )
( resid 58 and name HD# )
5.000 3.200 0.000 peak 598 weight 1.00000E+00 volume 1.93987E+08 ppm1 7.146 ppm2 1.576
OR { 598}
( resid 24 and name HE# )
( resid 34 and name HB# )
OR { 598}
( resid 41 and name HE# )
( resid 58 and name HD# )
OR { 598}
( resid 41 and name HE# )
( resid 34 and name HB# )
OR { 598}
(( resid 41 and name HZ ))
( resid 58 and name HD# )
OR { 598}
(( resid 41 and name HZ ))
( resid 34 and name HB# )
ASSI { 602}
(( resid 37 and name HZ ))
(( resid 37 and name HA ))
4.000 2.200 0.000 peak 602 weight 1.00000E+00 volume 2.34394E+08 ppm1 7.002 ppm2 4.168
OR { 602}
( resid 37 and name HE# )
(( resid 37 and name HA ))
ASSI { 604}
(( resid 37 and name HZ ))
(( resid 20 and name HB2 ))
5.000 3.200 0.000 peak 604 weight 1.00000E+00 volume 1.63603E+08 ppm1 7.002 ppm2 3.447
OR { 604}
( resid 37 and name HE# )
(( resid 20 and name HB2 ))
ASSI { 608}
(( resid 37 and name HZ ))
( resid 17 and name HG2#)
6.000 4.200 0.000 peak 608 weight 1.00000E+00 volume 1.73309E+08 ppm1 7.003 ppm2 0.984
OR { 608}
( resid 37 and name HE# )
( resid 17 and name HG2#)
ASSI { 616}
(( resid 54 and name HA ))
( resid 53 and name HD2#)
4.000 2.200 0.000 peak 616 weight 1.00000E+00 volume 6.50408E+08 ppm1 3.764 ppm2 0.873
OR { 616}
(( resid 54 and name HA ))
( resid 48 and name HD1#)
ASSI { 629}
(( resid 71 and name HD2 ))
( resid 70 and name HG2#)
4.000 2.200 0.000 peak 629 weight 1.00000E+00 volume 8.22219E+08 ppm1 3.608 ppm2 0.949
OR { 629}
(( resid 71 and name HD2 ))
( resid 74 and name HD# )
ASSI { 634}
(( resid 22 and name HA ))
( resid 21 and name HD1#)
4.000 2.200 0.000 peak 634 weight 1.00000E+00 volume 5.10114E+08 ppm1 3.630 ppm2 0.717
OR { 634}
(( resid 22 and name HA ))
( resid 25 and name HD1#)
ASSI { 649}
(( resid 60 and name HB2 ))
( resid 78 and name HG2#)
4.000 2.200 0.000 peak 649 weight 1.00000E+00 volume 1.40556E+09 ppm1 1.859 ppm2 0.942
OR { 649}
(( resid 60 and name HB2 ))
( resid 74 and name HD# )
ASSI { 671}
(( resid 92 and name HB2 ))
(( resid 92 and name HG2 ))
2.800 1.000 0.000 peak 671 weight 1.00000E+00 volume 8.70217E+08 ppm1 2.299 ppm2 1.695
OR { 671}
(( resid 92 and name HB2 ))
(( resid 92 and name HB1 ))
ASSI { 680}
(( resid 81 and name HA ))
( resid 84 and name HD1#)
4.000 2.200 0.000 peak 680 weight 1.00000E+00 volume 6.17520E+08 ppm1 4.240 ppm2 0.978
OR { 680}
(( resid 81 and name HA ))
( resid 91 and name HG2#)
ASSI { 696}
(( resid 64 and name HN ))
(( resid 64 and name HA ))
4.000 2.200 0.000 peak 696 weight 1.00000E+00 volume 3.09417E+08 ppm1 8.290 ppm2 4.345
OR { 696}
(( resid 64 and name HN ))
(( resid 65 and name HA ))
ASSI { 709}
(( resid 29 and name HN ))
(( resid 44 and name HB2 ))
4.000 2.200 0.000 peak 709 weight 1.00000E+00 volume 4.41859E+08 ppm1 8.091 ppm2 3.844
OR { 709}
(( resid 29 and name HN ))
(( resid 28 and name HA ))
OR { 709}
(( resid 45 and name HN ))
(( resid 44 and name HB2 ))
OR { 709}
(( resid 45 and name HN ))
(( resid 28 and name HA ))
ASSI { 721}
(( resid 75 and name HN ))
(( resid 75 and name HB2 ))
4.000 2.200 0.000 peak 721 weight 1.00000E+00 volume 1.79805E+08 ppm1 8.701 ppm2 1.749
OR { 721}
(( resid 75 and name HN ))
(( resid 74 and name HB2 ))
ASSI { 769}
(( resid 62 and name HA ))
( resid 61 and name HG2#)
5.000 3.200 0.000 peak 769 weight 1.00000E+00 volume 3.17481E+08 ppm1 4.296 ppm2 0.828
OR { 769}
(( resid 62 and name HA ))
( resid 60 and name HD1#)
ASSI { 803}
( resid 21 and name HD1#)
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 803 weight 1.00000E+00 volume 6.07226E+08 ppm1 0.736 ppm2 0.486
OR { 803}
( resid 21 and name HD1#)
( resid 85 and name HD1#)
ASSI { 885}
(( resid 22 and name HN ))
( resid 22 and name HD# )
5.000 3.200 0.000 peak 885 weight 1.00000E+00 volume 2.83717E+08 ppm1 8.494 ppm2 6.956
OR { 885}
(( resid 22 and name HN ))
( resid 24 and name HD# )
ASSI { 895}
(( resid 71 and name HD1 ))
( resid 70 and name HG2#)
4.000 2.200 0.000 peak 895 weight 1.00000E+00 volume 1.60657E+09 ppm1 3.965 ppm2 0.950
OR { 895}
(( resid 71 and name HD1 ))
( resid 74 and name HD# )
ASSI { 912}
(( resid 92 and name HG1 ))
(( resid 92 and name HG2 ))
2.800 1.000 0.000 peak 912 weight 1.00000E+00 volume 6.73445E+08 ppm1 1.957 ppm2 1.697
OR { 912}
(( resid 92 and name HG1 ))
(( resid 92 and name HB1 ))
ASSI { 922}
(( resid 20 and name HN ))
( resid 24 and name HE# )
5.000 3.200 0.000 peak 922 weight 1.00000E+00 volume 1.66171E+08 ppm1 8.228 ppm2 7.127
OR { 922}
(( resid 20 and name HN ))
( resid 41 and name HE# )
OR { 922}
(( resid 20 and name HN ))
(( resid 41 and name HZ ))
ASSI { 923}
(( resid 20 and name HB1 ))
(( resid 38 and name HA ))
5.000 3.200 0.000 peak 923 weight 1.00000E+00 volume 2.78701E+08 ppm1 3.259 ppm2 3.870
OR { 923}
(( resid 20 and name HB1 ))
(( resid 17 and name HA ))
ASSI { 924}
(( resid 37 and name HZ ))
(( resid 20 and name HB1 ))
5.000 3.200 0.000 peak 924 weight 1.00000E+00 volume 1.95565E+08 ppm1 7.001 ppm2 3.255
OR { 924}
( resid 37 and name HE# )
(( resid 20 and name HB1 ))
ASSI { 925}
(( resid 20 and name HB2 ))
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 925 weight 1.00000E+00 volume 6.91144E+08 ppm1 3.444 ppm2 3.873
OR { 925}
(( resid 20 and name HB2 ))
(( resid 17 and name HA ))
ASSI { 940}
(( resid 21 and name HN ))
(( resid 37 and name HZ ))
5.000 3.200 0.000 peak 940 weight 1.00000E+00 volume 1.66140E+08 ppm1 8.513 ppm2 7.006
OR { 940}
(( resid 21 and name HN ))
( resid 37 and name HE# )
ASSI { 1000}
(( resid 20 and name HD2 ))
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 1000 weight 1.00000E+00 volume 2.08105E+08 ppm1 7.123 ppm2 3.870
OR { 1000}
(( resid 20 and name HD2 ))
(( resid 17 and name HA ))
ASSI { 1082}
(( resid 41 and name HB1 ))
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 1082 weight 1.00000E+00 volume 2.27163E+08 ppm1 2.836 ppm2 0.871
OR { 1082}
(( resid 41 and name HB1 ))
( resid 48 and name HD1#)
ASSI { 1108}
(( resid 57 and name HB ))
( resid 53 and name HD2#)
4.000 2.200 0.000 peak 1108 weight 1.00000E+00 volume 1.02543E+09 ppm1 2.116 ppm2 0.872
OR { 1108}
(( resid 57 and name HB ))
( resid 17 and name HD1#)
OR { 1108}
(( resid 57 and name HB ))
( resid 48 and name HD1#)
ASSI { 1113}
(( resid 17 and name HA ))
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 1113 weight 1.00000E+00 volume 4.40657E+08 ppm1 3.862 ppm2 0.827
OR { 1113}
(( resid 17 and name HA ))
( resid 21 and name HD1#)
ASSI { 1205}
(( resid 67 and name HB1 ))
( resid 65 and name HB# )
4.000 2.200 0.000 peak 1205 weight 1.00000E+00 volume 5.69732E+08 ppm1 1.985 ppm2 1.407
OR { 1205}
(( resid 67 and name HB1 ))
( resid 64 and name HB# )
ASSI { 1212}
(( resid 20 and name HN ))
(( resid 37 and name HB2 ))
4.000 2.200 0.000 peak 1212 weight 1.00000E+00 volume 1.54185E+08 ppm1 8.231 ppm2 2.760
OR { 1212}
(( resid 20 and name HN ))
(( resid 40 and name HB2 ))
OR { 1212}
(( resid 38 and name HN ))
(( resid 37 and name HB2 ))
OR { 1212}
(( resid 38 and name HN ))
(( resid 40 and name HB2 ))
ASSI { 1213}
(( resid 17 and name HN ))
( resid 39 and name HB# )
5.000 3.200 0.000 peak 1213 weight 1.00000E+00 volume 8.76981E+07 ppm1 7.780 ppm2 2.971
OR { 1213}
(( resid 40 and name HE1 ))
( resid 39 and name HB# )
ASSI { 1239}
(( resid 96 and name HB ))
( resid 97 and name HB# )
4.000 2.200 0.000 peak 1239 weight 1.00000E+00 volume 4.73133E+08 ppm1 2.044 ppm2 1.330
OR { 1239}
(( resid 96 and name HB ))
( resid 56 and name HB# )
OR { 1239}
( resid 55 and name HB# )
( resid 97 and name HB# )
OR { 1239}
( resid 55 and name HB# )
( resid 56 and name HB# )
ASSI { 1272}
(( resid 56 and name HN ))
( resid 53 and name HD1#)
6.000 4.200 0.000 peak 1272 weight 1.00000E+00 volume 6.70205E+07 ppm1 8.404 ppm2 0.772
OR { 1272}
(( resid 56 and name HN ))
( resid 78 and name HG1#)
ASSI { 1284}
(( resid 71 and name HA ))
( resid 70 and name HG# )
5.000 3.200 0.000 peak 1284 weight 1.00000E+00 volume 2.44624E+08 ppm1 4.432 ppm2 0.952
OR { 1284}
(( resid 71 and name HA ))
( resid 74 and name HD1#)
ASSI { 1311}
(( resid 47 and name HA ))
( resid 50 and name HD# )
4.000 2.200 0.000 peak 1311 weight 1.00000E+00 volume 1.96745E+08 ppm1 4.478 ppm2 1.630
OR { 1311}
(( resid 47 and name HA ))
(( resid 17 and name HG12))
ASSI { 1357}
(( resid 68 and name HA ))
( resid 63 and name HD# )
4.000 2.200 0.000 peak 1357 weight 1.00000E+00 volume 1.71437E+08 ppm1 4.595 ppm2 3.208
OR { 1357}
(( resid 69 and name HA ))
( resid 63 and name HD# )
ASSI { 1374}
(( resid 60 and name HB2 ))
( resid 57 and name HG1#)
5.000 3.200 0.000 peak 1374 weight 1.00000E+00 volume 3.02530E+08 ppm1 1.853 ppm2 1.071
OR { 1374}
(( resid 54 and name HB2 ))
( resid 57 and name HG1#)
ASSI { 1379}
( resid 41 and name HE# )
( resid 61 and name HG2#)
6.000 4.200 0.000 peak 1379 weight 1.00000E+00 volume 2.39882E+08 ppm1 7.145 ppm2 0.826
OR { 1379}
( resid 41 and name HE# )
( resid 21 and name HD1#)
ASSI { 1391}
(( resid 37 and name HZ ))
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 1391 weight 1.00000E+00 volume 3.74151E+08 ppm1 7.005 ppm2 0.804
OR { 1391}
( resid 37 and name HE# )
( resid 60 and name HD1#)
ASSI { 1403}
(( resid 97 and name HA ))
( resid 70 and name HG# )
4.000 2.200 0.000 peak 1403 weight 1.00000E+00 volume 5.57301E+08 ppm1 4.264 ppm2 0.949
OR { 1403}
(( resid 97 and name HA ))
( resid 78 and name HG2#)
OR { 1403}
(( resid 97 and name HA ))
( resid 74 and name HD# )
ASSI { 1410}
(( resid 30 and name HB1 ))
(( resid 30 and name HB2 ))
4.000 2.200 0.000 peak 1410 weight 1.00000E+00 volume 2.31341E+08 ppm1 2.284 ppm2 2.000
OR { 1410}
(( resid 30 and name HB1 ))
(( resid 30 and name HG2 ))
ASSI { 54}
(( resid 85 and name HN ))
( resid 85 and name HG2#)
4.000 2.200 0.000 peak 54 weight 1.00000E+00 volume 1.67757E+09 ppm1 8.051 ppm2 0.451
OR { 54}
(( resid 85 and name HN ))
( resid 85 and name HD1#)
ASSI { 84}
(( resid 79 and name HN ))
( resid 79 and name HE# )
4.000 2.200 0.000 peak 84 weight 1.00000E+00 volume 2.97452E+09 ppm1 8.625 ppm2 1.988
OR { 84}
(( resid 79 and name HN ))
(( resid 79 and name HB1 ))
ASSI { 88}
(( resid 77 and name HN ))
(( resid 75 and name HB1 ))
2.800 1.000 0.000 peak 88 weight 1.00000E+00 volume 1.82510E+09 ppm1 8.112 ppm2 1.866
OR { 88}
(( resid 77 and name HN ))
(( resid 77 and name HB1 ))
ASSI { 90}
(( resid 77 and name HN ))
( resid 76 and name HB# )
2.800 1.000 0.000 peak 90 weight 1.00000E+00 volume 2.37731E+09 ppm1 8.112 ppm2 1.446
OR { 90}
(( resid 77 and name HN ))
( resid 77 and name HG# )
ASSI { 220}
(( resid 62 and name HN ))
(( resid 61 and name HN ))
2.800 1.000 0.000 peak 220 weight 1.00000E+00 volume 2.24105E+09 ppm1 7.712 ppm2 7.998
OR { 220}
(( resid 62 and name HN ))
( resid 62 and name HZ# )
ASSI { 245}
(( resid 82 and name HN ))
( resid 22 and name HD# )
5.000 3.200 0.000 peak 245 weight 1.00000E+00 volume 2.66365E+08 ppm1 8.581 ppm2 6.946
OR { 245}
(( resid 82 and name HN ))
( resid 24 and name HD# )
ASSI { 300}
(( resid 65 and name HN ))
( resid 65 and name HB# )
4.000 2.200 0.000 peak 300 weight 1.00000E+00 volume 2.17075E+09 ppm1 8.226 ppm2 1.406
OR { 300}
(( resid 65 and name HN ))
( resid 64 and name HB# )
ASSI { 348}
(( resid 45 and name HN ))
(( resid 45 and name HB1 ))
2.800 1.000 0.000 peak 348 weight 1.00000E+00 volume 1.38921E+09 ppm1 8.095 ppm2 3.812
OR { 348}
(( resid 45 and name HN ))
( resid 44 and name HB# )
ASSI { 418}
(( resid 19 and name HN ))
(( resid 16 and name HA ))
2.800 1.000 0.000 peak 418 weight 1.00000E+00 volume 1.70786E+09 ppm1 8.113 ppm2 4.065
OR { 418}
(( resid 19 and name HN ))
(( resid 18 and name HA ))
ASSI { 427}
(( resid 23 and name HN ))
(( resid 22 and name HA ))
2.800 1.000 0.000 peak 427 weight 1.00000E+00 volume 1.33280E+09 ppm1 8.074 ppm2 3.613
OR { 427}
(( resid 23 and name HN ))
(( resid 30 and name HD1 ))
OR { 427}
(( resid 29 and name HN ))
(( resid 22 and name HA ))
OR { 427}
(( resid 29 and name HN ))
(( resid 30 and name HD1 ))
ASSI { 436}
(( resid 93 and name HN ))
(( resid 75 and name HB2 ))
4.000 2.200 0.000 peak 436 weight 1.00000E+00 volume 8.34505E+08 ppm1 8.519 ppm2 1.736
OR { 436}
(( resid 93 and name HN ))
(( resid 74 and name HB2 ))
OR { 436}
(( resid 93 and name HN ))
(( resid 92 and name HG2 ))
OR { 436}
(( resid 93 and name HN ))
(( resid 92 and name HB1 ))
ASSI { 459}
(( resid 28 and name HN ))
(( resid 24 and name HA ))
2.800 1.000 0.000 peak 459 weight 1.00000E+00 volume 1.31169E+09 ppm1 7.868 ppm2 4.224
OR { 459}
(( resid 28 and name HN ))
(( resid 27 and name HA ))
ASSI { 481}
(( resid 43 and name HN ))
(( resid 42 and name HB2 ))
2.800 1.000 0.000 peak 481 weight 1.00000E+00 volume 2.15463E+09 ppm1 8.012 ppm2 2.065
OR { 481}
(( resid 43 and name HN ))
(( resid 43 and name HB1 ))
ASSI { 541}
(( resid 74 and name HN ))
(( resid 74 and name HG ))
2.800 1.000 0.000 peak 541 weight 1.00000E+00 volume 1.87606E+09 ppm1 7.594 ppm2 1.588
OR { 541}
(( resid 74 and name HN ))
(( resid 74 and name HB1 ))
ASSI { 553}
(( resid 76 and name HN ))
(( resid 75 and name HB2 ))
2.800 1.000 0.000 peak 553 weight 1.00000E+00 volume 1.52403E+09 ppm1 8.007 ppm2 1.741
OR { 553}
(( resid 76 and name HN ))
(( resid 74 and name HB2 ))
ASSI { 587}
(( resid 86 and name HN ))
( resid 86 and name HG# )
2.800 1.000 0.000 peak 587 weight 1.00000E+00 volume 2.61263E+09 ppm1 8.478 ppm2 1.621
OR { 587}
(( resid 86 and name HN ))
(( resid 86 and name HB1 ))
ASSI { 710}
(( resid 25 and name HN ))
( resid 25 and name HD2#)
4.000 2.200 0.000 peak 710 weight 1.00000E+00 volume 1.72070E+09 ppm1 8.110 ppm2 0.741
OR { 710}
(( resid 25 and name HN ))
( resid 25 and name HD1#)
ASSI { 747}
(( resid 60 and name HN ))
( resid 59 and name HD# )
4.000 2.200 0.000 peak 747 weight 1.00000E+00 volume 5.69979E+08 ppm1 7.723 ppm2 1.608
OR { 747}
(( resid 60 and name HN ))
(( resid 74 and name HB1 ))
ASSI { 750}
(( resid 54 and name HN ))
( resid 53 and name HD2#)
5.000 3.200 0.000 peak 750 weight 1.00000E+00 volume 5.00073E+08 ppm1 8.498 ppm2 0.865
OR { 750}
(( resid 54 and name HN ))
( resid 48 and name HD1#)
ASSI { 764}
(( resid 49 and name HN ))
( resid 48 and name HD1#)
6.000 4.200 0.000 peak 764 weight 1.00000E+00 volume 1.77550E+08 ppm1 8.834 ppm2 0.869
OR { 764}
(( resid 49 and name HN ))
( resid 57 and name HG2#)
ASSI { 772}
(( resid 44 and name HN ))
( resid 17 and name HD1#)
6.000 4.200 0.000 peak 772 weight 1.00000E+00 volume 2.67312E+08 ppm1 7.900 ppm2 0.867
OR { 772}
(( resid 44 and name HN ))
( resid 48 and name HD1#)
ASSI { 797}
(( resid 84 and name HN ))
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 797 weight 1.00000E+00 volume 1.99341E+08 ppm1 7.492 ppm2 0.453
OR { 797}
(( resid 84 and name HN ))
( resid 85 and name HD1#)
ASSI { 846}
(( resid 48 and name HN ))
(( resid 45 and name HB1 ))
4.000 2.200 0.000 peak 846 weight 1.00000E+00 volume 3.20586E+08 ppm1 7.959 ppm2 3.811
OR { 846}
(( resid 48 and name HN ))
(( resid 44 and name HB1 ))
ASSI { 859}
(( resid 25 and name HN ))
(( resid 76 and name HA ))
4.000 2.200 0.000 peak 859 weight 1.00000E+00 volume 8.26758E+08 ppm1 8.113 ppm2 4.066
OR { 859}
(( resid 25 and name HN ))
(( resid 21 and name HA ))
ASSI { 1023}
(( resid 27 and name HN ))
(( resid 25 and name HN ))
5.000 3.200 0.000 peak 1023 weight 1.00000E+00 volume 2.70961E+08 ppm1 7.533 ppm2 8.091
OR { 1023}
(( resid 27 and name HN ))
(( resid 29 and name HN ))
ASSI { 1057}
(( resid 45 and name HN ))
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 1057 weight 1.00000E+00 volume 3.76862E+08 ppm1 8.095 ppm2 0.865
OR { 1057}
(( resid 45 and name HN ))
( resid 48 and name HD1#)
ASSI { 1116}
(( resid 35 and name HN ))
( resid 65 and name HB# )
5.000 3.200 0.000 peak 1116 weight 1.00000E+00 volume 2.77649E+08 ppm1 7.904 ppm2 1.400
OR { 1116}
(( resid 35 and name HN ))
( resid 64 and name HB# )
ASSI { 147}
(( resid 85 and name HA ))
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 147 weight 1.00000E+00 volume 1.50740E+09 ppm1 3.641 ppm2 0.473
OR { 147}
(( resid 85 and name HA ))
( resid 85 and name HD1#)
ASSI { 148}
(( resid 85 and name HB ))
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 148 weight 1.00000E+00 volume 1.21877E+09 ppm1 1.608 ppm2 0.465
OR { 148}
(( resid 85 and name HB ))
( resid 85 and name HD1#)
ASSI { 210}
(( resid 51 and name HB1 ))
( resid 53 and name HB# )
5.000 3.200 0.000 peak 210 weight 1.00000E+00 volume 2.44577E+08 ppm1 3.468 ppm2 1.698
OR { 210}
(( resid 51 and name HB1 ))
(( resid 53 and name HG ))
ASSI { 238}
(( resid 62 and name HE2 ))
(( resid 62 and name HB2 ))
4.000 2.200 0.000 peak 238 weight 1.00000E+00 volume 7.14976E+08 ppm1 2.907 ppm2 1.830
OR { 238}
(( resid 62 and name HE2 ))
(( resid 62 and name HE1 ))
ASSI { 262}
(( resid 54 and name HA ))
( resid 53 and name HD2#)
5.000 3.200 0.000 peak 262 weight 1.00000E+00 volume 8.82168E+08 ppm1 3.769 ppm2 0.869
OR { 262}
(( resid 54 and name HA ))
( resid 17 and name HD1#)
OR { 262}
(( resid 54 and name HA ))
( resid 48 and name HD1#)
ASSI { 270}
(( resid 52 and name HA1 ))
(( resid 51 and name HB2 ))
6.000 4.200 0.000 peak 270 weight 1.00000E+00 volume 2.04361E+08 ppm1 4.257 ppm2 2.383
OR { 270}
(( resid 52 and name HA1 ))
(( resid 49 and name HG2 ))
ASSI { 271}
(( resid 51 and name HB1 ))
( resid 53 and name HD1#)
6.000 4.200 0.000 peak 271 weight 1.00000E+00 volume 3.13482E+08 ppm1 3.465 ppm2 0.765
OR { 271}
(( resid 51 and name HB1 ))
(( resid 85 and name HG12))
ASSI { 272}
(( resid 51 and name HB1 ))
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 272 weight 1.00000E+00 volume 2.51255E+08 ppm1 3.465 ppm2 0.431
OR { 272}
(( resid 51 and name HB1 ))
( resid 85 and name HD1#)
ASSI { 295}
(( resid 47 and name HB1 ))
( resid 53 and name HD2#)
6.000 4.200 0.000 peak 295 weight 1.00000E+00 volume 1.93997E+08 ppm1 3.165 ppm2 0.862
OR { 295}
(( resid 47 and name HB1 ))
( resid 17 and name HD1#)
OR { 295}
(( resid 47 and name HB1 ))
( resid 48 and name HD1#)
ASSI { 471}
(( resid 98 and name HA ))
( resid 70 and name HG2#)
5.000 3.200 0.000 peak 471 weight 1.00000E+00 volume 1.42781E+09 ppm1 4.273 ppm2 0.943
OR { 471}
(( resid 98 and name HA ))
( resid 78 and name HG2#)
OR { 471}
(( resid 98 and name HA ))
( resid 74 and name HD# )
ASSI { 472}
(( resid 64 and name HA ))
( resid 70 and name HG2#)
6.000 4.200 0.000 peak 472 weight 1.00000E+00 volume 1.22451E+08 ppm1 4.341 ppm2 0.944
OR { 472}
(( resid 64 and name HA ))
( resid 74 and name HD# )
ASSI { 5}
(( resid 75 and name HB1 ))
(( resid 75 and name HN ))
4.000 2.200 0.000 peak 5 weight 1.00000E+00 volume 3.84162E+08 ppm1 1.881 ppm2 8.698
OR { 5}
(( resid 63 and name HB2 ))
(( resid 75 and name HN ))
ASSI { 48}
(( resid 41 and name HB1 ))
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 48 weight 1.00000E+00 volume 2.83376E+08 ppm1 2.834 ppm2 3.865
OR { 48}
(( resid 37 and name HB1 ))
(( resid 38 and name HA ))
ASSI { 58}
(( resid 60 and name HB1 ))
(( resid 37 and name HZ ))
4.000 2.200 0.000 peak 58 weight 1.00000E+00 volume 2.74708E+08 ppm1 1.981 ppm2 7.000
OR { 58}
(( resid 60 and name HB1 ))
( resid 37 and name HE# )
ASSI { 88}
(( resid 84 and name HB2 ))
(( resid 81 and name HA ))
2.800 1.000 0.000 peak 88 weight 1.00000E+00 volume 9.84077E+08 ppm1 2.032 ppm2 4.235
OR { 88}
(( resid 81 and name HB2 ))
(( resid 81 and name HA ))
ASSI { 119}
(( resid 62 and name HE2 ))
( resid 62 and name HD# )
4.000 2.200 0.000 peak 119 weight 1.00000E+00 volume 6.05314E+08 ppm1 2.935 ppm2 1.413
OR { 119}
(( resid 62 and name HE2 ))
( resid 62 and name HG# )
ASSI { 132}
(( resid 67 and name HB1 ))
(( resid 77 and name HN ))
2.800 1.000 0.000 peak 132 weight 1.00000E+00 volume 8.57450E+08 ppm1 1.988 ppm2 8.129
OR { 132}
(( resid 67 and name HB1 ))
(( resid 67 and name HN ))
OR { 132}
(( resid 77 and name HB2 ))
(( resid 77 and name HN ))
OR { 132}
(( resid 77 and name HB2 ))
(( resid 67 and name HN ))
ASSI { 145}
(( resid 91 and name HB ))
(( resid 44 and name HA ))
4.000 2.200 0.000 peak 145 weight 1.00000E+00 volume 1.87132E+08 ppm1 2.105 ppm2 4.496
OR { 145}
(( resid 91 and name HB ))
(( resid 91 and name HA ))
OR { 145}
(( resid 46 and name HB2 ))
(( resid 44 and name HA ))
OR { 145}
(( resid 46 and name HB2 ))
(( resid 91 and name HA ))
ASSI { 200}
(( resid 16 and name HA ))
(( resid 20 and name HD2 ))
5.000 3.200 0.000 peak 200 weight 1.00000E+00 volume 1.20922E+08 ppm1 4.073 ppm2 7.122
OR { 200}
(( resid 23 and name HA ))
(( resid 20 and name HD2 ))
ASSI { 236}
(( resid 39 and name HA ))
(( resid 43 and name HN ))
4.000 2.200 0.000 peak 236 weight 1.00000E+00 volume 1.56454E+08 ppm1 4.429 ppm2 8.022
OR { 236}
(( resid 40 and name HA ))
(( resid 43 and name HN ))
Contact the webmaster for help, if required. Monday, May 13, 2024 9:16:27 PM GMT (wattos1)