NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
592083 | 2mu3 | 17899 | cing | 1-original | 8 | XPLOR/CNS | distance | NOE | ambi |
assign ((resid 39 and name HG*) or (resid 43 and name HD1*)) ((resid 86 and name HE*)) 3.400 1.600 1.600 ! incr to 5.0 after round 1. (52 viol avg 0.786) assign ((resid 30 and name HG2*) or (resid 136 and name HG*)) ((resid 95 and name HE*)) 3.400 1.600 1.600 ! incr to 5.0 after round 162. (43 viol avg 0.450) assign ((resid 43 and name HG2*) or (resid 77 and name HD*)) ((resid 86 and name HD*)) 2.900 1.100 1.100 assign ((resid 77 and name HG) or (resid 77 and name HB*)) ((resid 86 and name HE*)) 3.400 1.600 1.600 assign ((resid 74 and name HB) or (resid 39 and name HB)) ((resid 86 and name HE*)) 3.900 2.100 2.100 ! incr to 6.0 after round 23. (39 viol avg 0.266) assign ((resid 85 and name HA) or (resid 81 and name HA) or (resid 39 and name HA)) ((resid 86 and name HD*)) 3.400 1.600 1.600 ! incr to 5.0 after round 13. (47 viol avg 0.498) !assign ((resid 70 and name HB*) or (resid 74 and name HG*)) ((resid 69 and name HE*)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 13 assign ((resid 18 and name HG2*) or (resid 18 and name HG1*)) ((resid 90 and name HE*)) 2.900 1.100 1.100 assign ((resid 95 and name HD*)) ((resid 95 and name HZ) or (resid 95 and name HN)) 2.900 1.100 1.100 assign ((resid 99 and name HG*) or (resid 39 and name HG*)) ((resid 95 and name HD*)) 3.900 2.100 2.100 ! incr to 6.0 after round 5. (68 viol avg 0.534) !Erronous non-ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found) !Erronous ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found)
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