NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype

27599 2ro3 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple
!H-Bonds
!b-sheet 2 and 2' hydrogen bond constraints
assign (resid 16 and name C and segid A) (resid 16 and name N and segid B) 2.85 1.15 1.15
assign (resid 16 and name O and segid A) (resid 16 and name HN and segid B) 1.9 0.1 0.1
assign (resid 16 and name C and segid B) (resid 16 and name N and segid A) 2.85 1.15 1.15
assign (resid 16 and name O and segid B) (resid 16 and name HN and segid A) 1.9 0.1 0.1

!loop 1 and 1'
assign (resid 15 and name C and segid A) (resid 11 and name N and segid A) 2.85 1.15 1.15
assign (resid 15 and name O and segid A) (resid 11 and name HN and segid A) 1.9 0.1 0.1
assign (resid 15 and name C and segid B) (resid 11 and name N and segid B) 2.85 1.15 1.15
assign (resid 15 and name O and segid B) (resid 11 and name HN and segid B) 1.9 0.1 0.1

!loop 1 and 3', 1' and 3
assign (resid 31 and name C and segid A) (resid 10 and name N and segid B) 2.85 1.15 1.15
assign (resid 31 and name O and segid A) (resid 10 and name HN and segid B) 1.9 0.1 0.1
assign (resid 31 and name C and segid B) (resid 10 and name N and segid A) 2.85 1.15 1.15
assign (resid 31 and name O and segid B) (resid 10 and name HN and segid A) 1.9 0.1 0.1
                                                                                
!b-sheet 3, 4, 3' and 4' hydrogen bond constraints
assign (resid 39 and name C and segid A) (resid 42 and name N and segid A) 2.85 1.15 1.15
assign (resid 39 and name O and segid A) (resid 42 and name HN and segid A) 1.9 0.1 0.1
assign (resid 42 and name C and segid A) (resid 39 and name N and segid A) 2.85 1.15 1.15
assign (resid 42 and name O and segid A) (resid 39 and name HN and segid A) 1.9 0.1 0.1
assign (resid 39 and name C and segid B) (resid 42 and name N and segid B) 2.85 1.15 1.15
assign (resid 39 and name O and segid B) (resid 42 and name HN and segid B) 1.9 0.1 0.1
assign (resid 42 and name C and segid B) (resid 39 and name N and segid B) 2.85 1.15 1.15
assign (resid 42 and name O and segid B) (resid 39 and name HN and segid B) 1.9 0.1 0.1

assign (resid 37 and name C and segid A) (resid 44 and name N and segid A) 2.85 1.15 1.15
assign (resid 37 and name O and segid A) (resid 44 and name HN and segid A) 1.9 0.1 0.1
assign (resid 44 and name C and segid A) (resid 37 and name N and segid A) 2.85 1.15 1.15
assign (resid 44 and name O and segid A) (resid 37 and name HN and segid A) 1.9 0.1 0.1
assign (resid 37 and name C and segid B) (resid 44 and name N and segid B) 2.85 1.15 1.15
assign (resid 37 and name O and segid B) (resid 44 and name HN and segid B) 1.9 0.1 0.1
assign (resid 44 and name C and segid B) (resid 37 and name N and segid B) 2.85 1.15 1.15
assign (resid 44 and name O and segid B) (resid 37 and name HN and segid B) 1.9 0.1 0.1

assign (resid 35 and name C and segid A) (resid 46 and name N and segid A) 2.85 1.15 1.15
assign (resid 35 and name O and segid A) (resid 46 and name HN and segid A) 1.9 0.1 0.1
assign (resid 46 and name C and segid A) (resid 35 and name N and segid A) 2.85 1.15 1.15
assign (resid 46 and name O and segid A) (resid 35 and name HN and segid A) 1.9 0.1 0.1
assign (resid 35 and name C and segid B) (resid 46 and name N and segid B) 2.85 1.15 1.15
assign (resid 35 and name O and segid B) (resid 46 and name HN and segid B) 1.9 0.1 0.1
assign (resid 46 and name C and segid B) (resid 35 and name N and segid B) 2.85 1.15 1.15
assign (resid 46 and name O and segid B) (resid 35 and name HN and segid B) 1.9 0.1 0.1

!b-sheet 3, 4', 3' and 4 hydrogen bond constraints
assign (resid 43 and name C and segid A) (resid 45 and name N and segid B) 2.85 1.15 1.15
assign (resid 43 and name O and segid A) (resid 45 and name HN and segid B) 1.9 0.1 0.1
assign (resid 45 and name C and segid A) (resid 43 and name N and segid B) 2.85 1.15 1.15
assign (resid 45 and name O and segid A) (resid 43 and name HN and segid B) 1.9 0.1 0.1
assign (resid 43 and name C and segid B) (resid 45 and name N and segid A) 2.85 1.15 1.15
assign (resid 43 and name O and segid B) (resid 45 and name HN and segid A) 1.9 0.1 0.1
assign (resid 45 and name C and segid B) (resid 43 and name N and segid A) 2.85 1.15 1.15
assign (resid 45 and name O and segid B) (resid 43 and name HN and segid A) 1.9 0.1 0.11

!b-sheet 1, 3', 1' and 3 hydrogen bond constraints
assign (resid 6 and name C and segid A) (resid 36 and name N and segid B) 2.85 1.15 1.15
assign (resid 6 and name O and segid A) (resid 36 and name HN and segid B) 1.9 0.1 0.1
assign (resid 8 and name C and segid A) (resid 34 and name N and segid B) 2.85 1.15 1.15
assign (resid 8 and name O and segid A) (resid 34 and name HN and segid B) 1.9 0.1 0.1
assign (resid 34 and name C and segid B) (resid 8 and name N and segid A) 2.85 1.15 1.15
assign (resid 34 and name O and segid B) (resid 8 and name HN and segid A) 1.9 0.1 0.11

!a-helix 1 and 1' hydrogen bond constraints
assign (resid 19 and name O and segid A) (resid 23 and name N and segid A) 3.0 0.7 0.5
assign (resid 19 and name O and segid A) (resid 23 and name HN and segid A) 1.95 0.1 0.1
assign (resid 19 and name O and segid B) (resid 23 and name N and segid B) 3.0 0.7 0.5
assign (resid 19 and name O and segid B) (resid 23 and name HN and segid B) 1.95 0.1 0.1

assign (resid 20 and name O and segid A) (resid 24 and name N and segid A) 3.0 0.7 0.5
assign (resid 20 and name O and segid A) (resid 24 and name HN and segid A) 1.95 0.1 0.1
assign (resid 20 and name O and segid B) (resid 24 and name N and segid B) 3.0 0.7 0.5
assign (resid 20 and name O and segid B) (resid 24 and name HN and segid B) 1.95 0.1 0.1

assign (resid 21 and name O and segid A) (resid 25 and name N and segid A) 3.0 0.7 0.5
assign (resid 21 and name O and segid A) (resid 25 and name HN and segid A) 1.95 0.1 0.1
assign (resid 21 and name O and segid B) (resid 25 and name N and segid B) 3.0 0.7 0.5
assign (resid 21 and name O and segid B) (resid 25 and name HN and segid B) 1.95 0.1 0.1

assign (resid 22 and name O and segid A) (resid 26 and name N and segid A) 3.0 0.7 0.5
assign (resid 22 and name O and segid A) (resid 26 and name HN and segid A) 1.95 0.1 0.1
assign (resid 22 and name O and segid B) (resid 26 and name N and segid B) 3.0 0.7 0.5
assign (resid 22 and name O and segid B) (resid 26 and name HN and segid B) 1.95 0.1 0.1

assign (resid 23 and name O and segid A) (resid 28 and name N and segid A) 3.0 0.7 0.5
assign (resid 23 and name O and segid A) (resid 28 and name HN and segid A) 1.95 0.1 0.1
assign (resid 23 and name O and segid B) (resid 28 and name N and segid B) 3.0 0.7 0.5
assign (resid 23 and name O and segid B) (resid 28 and name HN and segid B) 1.95 0.1 0.1
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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	27599	2ro3	cing	1-original	2	XPLOR/CNS	distance	hydrogen bond	simple