NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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575277 |
2mns   |
19902 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! Ambiguous NOEs
! assign ((resid 20 and name H1) or (resid 20 and name H1))
((resid 20 and name H2) or (resid 20 and name H2))
2.300 0.500 0.500 ! no changes - calc dist 1.800
! assign ((resid 20 and name H2) or (resid 20 and name H2))
((resid 20 and name H1) or (resid 20 and name H1))
2.300 0.500 0.500 ! no changes - calc dist 1.805
assign ((resid 4 and name HA))
((resid 5 and name HN) or (resid 6 and name HN))
2.900 1.100 1.100 ! incr to 4.0 after round 6. (48 viol avg 0.465)
assign ((resid 11 and name HB*))
((resid 15 and name HD**) or (resid 16 and name HD**))
3.400 1.600 1.600 ! incr to 5.0 after round 22. (10 viol avg 0.269)
assign ((resid 20 and name H1) or (resid 20 and name H2))
((resid 20 and name HN))
2.900 1.100 1.100 ! no changes - calc dist 3.187
assign ((resid 20 and name HN))
((resid 20 and name H1) or (resid 20 and name H2))
2.900 1.100 1.100 ! no changes - calc dist 3.206
assign ((resid 5 and name HN) or (resid 6 and name HN))
((resid 4 and name HA))
2.900 1.100 1.100 ! no changes - calc dist 3.213
assign ((resid 20 and name H2) or (resid 20 and name H1))
((resid 20 and name HN))
2.900 1.100 1.100 ! no changes - calc dist 3.383
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 6 and name HD*))
2.900 1.100 1.100 ! no changes - calc dist 3.431
assign ((resid 20 and name HN))
((resid 20 and name H2) or (resid 20 and name H1))
2.900 1.100 1.100 ! no changes - calc dist 3.431
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 6 and name HE*))
2.900 1.100 1.100 ! no changes - calc dist 3.452
assign ((resid 6 and name HB*))
((resid 3 and name HD**) or (resid 4 and name HD**))
2.900 1.100 1.100 ! no changes - calc dist 3.610
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 6 and name HB*))
2.900 1.100 1.100 ! no changes - calc dist 3.610
assign ((resid 20 and name HB*))
((resid 20 and name H1) or (resid 20 and name H2))
2.900 1.100 1.100 ! no changes - calc dist 3.625
assign ((resid 20 and name H1) or (resid 20 and name H2))
((resid 20 and name HB*))
2.900 1.100 1.100 ! no changes - calc dist 3.670
assign ((resid 12 and name HN))
((resid 15 and name HD**) or (resid 16 and name HD**))
3.900 2.100 2.100 ! incr to 6.0 after round 18. (28 viol avg 0.165)
assign ((resid 7 and name HA*))
((resid 5 and name HN) or (resid 6 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 8. (33 viol avg 0.235)
! assign ((resid 12 and name HA))
((resid 15 and name HD**) or (resid 16 and name HD**))
3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 6 and name HD*))
2.900 1.100 1.100 ! no changes - calc dist 3.737
assign ((resid 20 and name HB*))
((resid 20 and name H2) or (resid 20 and name H1))
2.900 1.100 1.100 ! no changes - calc dist 3.755
assign ((resid 20 and name H2) or (resid 20 and name H1))
((resid 20 and name HB*))
2.900 1.100 1.100 ! no changes - calc dist 3.774
assign ((resid 6 and name HD*))
((resid 3 and name HD**) or (resid 4 and name HD**))
2.900 1.100 1.100 ! no changes - calc dist 3.793
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 6 and name HE*))
2.900 1.100 1.100 ! no changes - calc dist 3.793
assign ((resid 15 and name HB*) or (resid 16 and name HB*))
((resid 11 and name HB*) or (resid 20 and name HB*))
2.900 1.100 1.100 ! no changes - calc dist 3.793
assign ((resid 5 and name HN) or (resid 6 and name HN))
((resid 3 and name HA))
2.900 1.100 1.100 ! no changes - calc dist 3.813
assign ((resid 5 and name HN) or (resid 6 and name HN))
((resid 7 and name HA*))
3.400 1.600 1.600 ! incr to 5.0 after round 8. (33 viol avg 0.235)
assign ((resid 11 and name HB*) or (resid 20 and name HB*))
((resid 15 and name HB*) or (resid 16 and name HB*))
2.900 1.100 1.100 ! no changes - calc dist 3.834
assign ((resid 6 and name HE*))
((resid 3 and name HD**) or (resid 4 and name HD**))
2.900 1.100 1.100 ! no changes - calc dist 3.855
assign ((resid 4 and name HA) or (resid 8 and name HA))
((resid 7 and name HA*))
3.400 1.600 1.600 ! incr to 5.0 after round 8. (32 viol avg 0.319)
assign ((resid 20 and name HA))
((resid 20 and name H1) or (resid 20 and name H2))
2.900 1.100 1.100 ! no changes - calc dist 3.925
assign ((resid 6 and name HD*))
((resid 3 and name HD**) or (resid 4 and name HD**))
2.900 1.100 1.100 ! no changes - calc dist 3.976
assign ((resid 3 and name HD**) or (resid 4 and name HD**) or (resid 10 and name HG**))
((resid 7 and name HN))
3.400 1.600 1.600 ! incr to 5.0 after round 14. (12 viol avg 0.156)
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 6 and name HB*))
3.400 1.600 1.600 ! no changes - calc dist 4.004
assign ((resid 3 and name HB*) or (resid 4 and name HB*))
((resid 5 and name HB*) or (resid 7 and name HA*))
3.400 1.600 1.600 ! no changes - calc dist 4.062
assign ((resid 6 and name HB*))
((resid 3 and name HD**) or (resid 4 and name HD**))
3.400 1.600 1.600 ! no changes - calc dist 4.094
assign ((resid 20 and name HA))
((resid 20 and name H2) or (resid 20 and name H1))
3.400 1.600 1.600 ! no changes - calc dist 4.128
assign ((resid 17 and name HA))
((resid 20 and name H1) or (resid 20 and name H2))
3.400 1.600 1.600 ! no changes - calc dist 4.163
assign ((resid 7 and name HA*))
((resid 4 and name HA) or (resid 8 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.201
assign ((resid 7 and name HA*))
((resid 3 and name HD**) or (resid 4 and name HD**))
3.900 2.100 2.100 ! incr to 6.0 after round 16. (11 viol avg 0.146)
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 5 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.283
assign ((resid 6 and name HE*))
((resid 3 and name HD**) or (resid 4 and name HD**))
3.400 1.600 1.600 ! no changes - calc dist 4.283
assign ((resid 5 and name HB*) or (resid 7 and name HA*))
((resid 3 and name HB*) or (resid 4 and name HB*))
3.400 1.600 1.600 ! no changes - calc dist 4.329
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 5 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.329
! assign ((resid 8 and name HB*) or (resid 11 and name HB*))
((resid 6 and name HE*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign ((resid 18 and name HA))
((resid 20 and name H1) or (resid 20 and name H2))
3.400 1.600 1.600 ! no changes - calc dist 4.329
assign ((resid 3 and name HB*) or (resid 4 and name HB*))
((resid 5 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 8 and name HN))
3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid 6 and name HA))
((resid 3 and name HD**) or (resid 4 and name HD**))
3.900 2.100 2.100 ! incr to 6.0 after round 9. (33 viol avg 0.278)
assign ((resid 13 and name HA) or (resid 14 and name HA))
((resid 16 and name HD**))
3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid 19 and name HN))
((resid 20 and name H1) or (resid 20 and name H2))
3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid 20 and name H1) or (resid 20 and name H2))
((resid 19 and name HN))
3.400 1.600 1.600 ! no changes - calc dist 4.378
assign ((resid 8 and name HB*) or (resid 11 and name HB*))
((resid 6 and name HD*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 14
assign ((resid 17 and name HA))
((resid 20 and name H2) or (resid 20 and name H1))
3.400 1.600 1.600 ! no changes - calc dist 4.431
assign ((resid 7 and name HA*))
((resid 4 and name HA) or (resid 8 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.489
assign ((resid 18 and name HA))
((resid 20 and name H2) or (resid 20 and name H1))
3.400 1.600 1.600 ! no changes - calc dist 4.489
assign ((resid 20 and name H2) or (resid 20 and name H1))
((resid 19 and name HN))
3.400 1.600 1.600 ! no changes - calc dist 4.489
assign ((resid 19 and name HA))
((resid 20 and name H1) or (resid 20 and name H2))
3.400 1.600 1.600 ! no changes - calc dist 4.552
assign ((resid 19 and name HN))
((resid 20 and name H2) or (resid 20 and name H1))
3.400 1.600 1.600 ! no changes - calc dist 4.552
assign ((resid 2 and name HN))
((resid 5 and name HN) or (resid 6 and name HN))
3.400 1.600 1.600 ! no changes - calc dist 4.621
! assign ((resid 6 and name HA))
((resid 3 and name HB*) or (resid 4 and name HB*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 7 and name HN))
3.400 1.600 1.600 ! no changes - calc dist 4.699
assign ((resid 6 and name HD*))
((resid 3 and name HB*) or (resid 4 and name HB*))
3.400 1.600 1.600 ! no changes - calc dist 4.699
assign ((resid 19 and name HA))
((resid 20 and name H2) or (resid 20 and name H1))
3.400 1.600 1.600 ! no changes - calc dist 4.699
assign ((resid 3 and name HD**) or (resid 4 and name HD**))
((resid 7 and name HA*))
3.900 2.100 2.100 ! incr to 6.0 after round 16. (11 viol avg 0.146)
assign ((resid 15 and name HD**) or (resid 16 and name HD**))
((resid 20 and name H2) or (resid 20 and name H1))
3.900 2.100 2.100 ! incr to 6.0 after round 14. (70 viol avg 0.149)
assign ((resid 20 and name H2) or (resid 20 and name H1))
((resid 18 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.786
assign ((resid 20 and name H1) or (resid 20 and name H2))
((resid 17 and name HB*))
3.400 1.600 1.600 ! no changes - calc dist 4.885
assign ((resid 3 and name HB*) or (resid 4 and name HB*))
((resid 6 and name HE*))
3.900 2.100 2.100 ! incr to 6.0 after round 17. (11 viol avg 0.164)
assign ((resid 17 and name HB*))
((resid 20 and name H1) or (resid 20 and name H2))
3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid 20 and name H1) or (resid 20 and name H2))
((resid 19 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid 20 and name H2) or (resid 20 and name H1))
((resid 19 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid 20 and name H2) or (resid 20 and name H1))
((resid 20 and name HA))
3.400 1.600 1.600 ! no changes - calc dist 4.999
assign ((resid 7 and name HA*))
((resid 3 and name HD**) or (resid 4 and name HD**))
3.900 2.100 2.100 ! no changes - calc dist 5.135
assign ((resid 6 and name HB*))
((resid 4 and name HA) or (resid 8 and name HA))
3.900 2.100 2.100 ! no changes - calc dist 5.135
assign ((resid 20 and name H2) or (resid 20 and name H1))
((resid 17 and name HB*))
3.900 2.100 2.100 ! no changes - calc dist 5.300
! assign ((resid 10 and name HB))
((resid 4 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 2
! assign ((resid 13 and name HA))
((resid 7 and name HA*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 16
! assign ((resid 14 and name HA))
((resid 8 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 10
! assign ((resid 11 and name HN))
((resid 17 and name HB*))
3.900 2.100 2.100 ! could be commented out due to major violation after round 5
! assign ((resid 18 and name HN))
((resid 12 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 4
! assign ((resid 12 and name HN))
((resid 18 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 4
! assign ((resid 19 and name HN))
((resid 13 and name HN))
3.900 2.100 2.100 ! could be commented out due to major violation after round 2
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