NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | position | type |
3746 | 1e5b | 4623 | cing | dress | 1-original | 1 | comment |
!Complete list of all XPLOR constraints used for R262G calculations ! Order of file is: NOEs (including Hbond constraints near the end); ! then ambiguous NOEs; then dihedral restraints. !V269nh - S269ha constraint changed after 29jun99 run! (to S268ha) !New constraints added after 29jun99 run from stereoassignments only. ! removed duplicated constraint t303nh - r302hb1 ! H-bonds from XBD secondary structure added as is clearly identical from ! first round of structure calculations ! !Some adjustments made after looking at 3D - some corrections made after !found 2D signal was actually due to more than one NOE (2-3 corrections) !plus some added when found another NOE in 3D to second member of a stereopair !etc. ! ! 359 constraints added from 3D! ! Changed typo T305hn-T304hn 10p to T305NH-v304HA ! ! Removed NOE E257hn-hb1 as it is completely spurious - can't explain how it got ! in constraints list as it is a) ambiguous and b) the wrong intensity!! !Used for 05aug99 run ! !Added more stereoassignments after and also corrected another typo found !K319 nh-m318bprime 4 and k319 nh-m318b 3 had not been combined for sum !averaging and the second constraint had been written as k319 b+ - m318 b+ ! !Added more constraints 12aug99 from resolved aromatic resonances !and 3D NOESY !
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