NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

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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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