NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
24550 | 2k3c | 15747 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! -------------------------------------------------------------------------- ! Ambiguous NOEs assign ((resid 1 and name HN)) ((resid 4 and name HN) or (resid 3 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 10. (54 viol avg 0.274) assign ((resid 4 and name HA)) ((resid 4 and name HB*) or (resid 4 and name HE*)) 3.900 2.100 2.100 ! shortened - calc dist 6.377 assign ((resid 4 and name HG*)) ((resid 4 and name HB*) or (resid 4 and name HE*)) 2.900 1.100 1.100 ! no changes - calc dist 3.370 assign ((resid 4 and name HN)) ((resid 4 and name HB*) or (resid 4 and name HE*)) 3.900 2.100 2.100 ! shortened - calc dist 8.173 assign ((resid 4 and name HB*) or (resid 18 and name HB*)) ((resid 4 and name HG*) or (resid 18 and name HG*)) 3.900 2.100 2.100 ! shortened - calc dist 6.725 assign ((resid 4 and name HB*) or (resid 18 and name HB*)) ((resid 18 and name HG*)) 3.900 2.100 2.100 ! shortened - calc dist 6.337 assign ((resid 4 and name HG*) or (resid 18 and name HG*)) ((resid 4 and name HB*) or (resid 18 and name HB*)) 3.900 2.100 2.100 ! no changes - calc dist 5.592 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 1 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (64 viol avg 0.237) assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 1 and name HN)) 3.900 2.100 2.100 ! no changes - calc dist 5.152 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 2 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (89 viol avg 0.265) assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 2 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 8. (89 viol avg 0.265) assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 3 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.128 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 3 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.993 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 3 and name HD*)) 3.400 1.600 1.600 ! no changes - calc dist 4.285 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 3 and name HD*)) 2.300 0.500 0.500 ! no changes - calc dist 2.143 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 3 and name HE*)) 2.900 1.100 1.100 ! no changes - calc dist 3.937 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 4 and name HA)) 3.900 2.100 2.100 ! no changes - calc dist 5.779 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 4 and name HA)) 3.900 2.100 2.100 ! no changes - calc dist 5.072 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 4 and name HN)) 3.900 2.100 2.100 ! shortened - calc dist 8.199 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 4 and name HN)) 3.900 2.100 2.100 ! shortened - calc dist 8.250 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 5 and name HB*)) 3.900 2.100 2.100 ! shortened - calc dist 6.539 assign ((resid 4 and name HB*) or (resid 4 and name HE*)) ((resid 6 and name HN)) 3.900 2.100 2.100 ! incr to 6.0 after round 15. (38 viol avg 0.149) assign ((resid 4 and name HN) or (resid 3 and name HN)) ((resid 6 and name HB*)) 3.900 2.100 2.100 ! shortened - calc dist 6.404 assign ((resid 5 and name HB*)) ((resid 4 and name HB*) or (resid 4 and name HE*)) 3.900 2.100 2.100 ! shortened - calc dist 7.282 assign ((resid 6 and name HN)) ((resid 4 and name HN) or (resid 3 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.927 assign ((resid 15 and name HA)) ((resid 18 and name HB*) or (resid 18 and name HE*)) 3.900 2.100 2.100 ! no changes - calc dist 5.153 assign ((resid 18 and name HA)) ((resid 18 and name HB*) or (resid 18 and name HE*)) 3.900 2.100 2.100 ! no changes - calc dist 5.074 assign ((resid 18 and name HA)) ((resid 18 and name HB*) or (resid 18 and name HE*)) 3.900 2.100 2.100 ! no changes - calc dist 5.253 assign ((resid 18 and name HG*)) ((resid 18 and name HB*) or (resid 18 and name HE*)) 3.400 1.600 1.600 ! no changes - calc dist 4.087 assign ((resid 18 and name HN)) ((resid 18 and name HB*) or (resid 18 and name HE*)) 3.400 1.600 1.600 ! no changes - calc dist 4.543 assign ((resid 18 and name HN)) ((resid 18 and name HB*) or (resid 18 and name HE*)) 3.400 1.600 1.600 ! no changes - calc dist 4.868 assign ((resid 18 and name HB*) or (resid 18 and name HE*)) ((resid 18 and name HA)) 3.900 2.100 2.100 ! shortened - calc dist 7.888 assign ((resid 18 and name HB*) or (resid 18 and name HE*)) ((resid 18 and name HA)) 3.900 2.100 2.100 ! shortened - calc dist 7.190 assign ((resid 18 and name HB*) or (resid 18 and name HE*)) ((resid 18 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.689 assign ((resid 18 and name HB*) or (resid 18 and name HE*)) ((resid 18 and name HN)) 3.900 2.100 2.100 ! no changes - calc dist 5.482 assign ((resid 18 and name HB*) or (resid 18 and name HE*)) ((resid 20 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (44 viol avg 0.185) assign ((resid 18 and name HB*) or (resid 18 and name HE*)) ((resid 20 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 15. (44 viol avg 0.185) assign ((resid 19 and name HB*)) ((resid 18 and name HB*) or (resid 18 and name HE*)) 3.900 2.100 2.100 ! shortened - calc dist 7.058 assign ((resid 21 and name HN) or (resid 24 and name HN)) ((resid 23 and name HB*)) 3.900 2.100 2.100 ! shortened - calc dist 8.307 assign ((resid 21 and name HN) or (resid 24 and name HN)) ((resid 23 and name HN)) 3.900 2.100 2.100 ! no changes - calc dist 5.010 assign ((resid 21 and name HN) or (resid 24 and name HN)) ((resid 23 and name HB*) or (resid 24 and name HA*) or (resid 23 and name HB*)) 3.900 2.100 2.100 ! shortened - calc dist 8.446 assign ((resid 21 and name HA)) ((resid 25 and name HN)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14
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