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

27611 2ro5 11034 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

! intra loop 1 to loop1
assign (resid 11 and name OD# and segid A) (resid 13 and name HN and segid A) 1.9 0.1 0.1
assign (resid 11 and name OD# and segid B) (resid 13 and name HN and segid B) 1.9 0.1 0.1

! intra loop 3 to loop3
assign (resid 29 and name OD# and segid A) (resid 32 and name HN and segid A) 1.9 0.1 0.1
assign (resid 29 and name OD# and segid B) (resid 32 and name HN and segid B) 1.9 0.1 0.1

! inter loop 1 to loop 3

assign (resid 30 and name C and segid A) (resid 11 and name N and segid B) 2.95 1.55 1.55
assign (resid 30 and name C and segid B) (resid 11 and name N and segid A) 2.95 1.55 1.55

! b-strand 1 to 3'
assign (resid 38 and name C and segid A) (resid 3 and name N and segid B) 2.85 1.15 1.15
assign (resid 38 and name O and segid A) (resid 3 and name HN and segid B) 1.9 0.1 0.1
assign (resid 38 and name C and segid B) (resid 3 and name N and segid A) 2.85 1.15 1.15
assign (resid 38 and name O and segid B) (resid 3 and name HN and segid A) 1.9 0.1 0.1

!b-sheet 3, 4, 3' and 4' hydrogen bond constraints
assign (resid 37 and name C and segid A) (resid 45 and name N and segid A) 2.85 1.15 1.15
assign (resid 37 and name O and segid A) (resid 45 and name HN and segid A) 1.9 0.1 0.1
assign (resid 45 and name C and segid A) (resid 37 and name N and segid A) 2.85 1.15 1.15
assign (resid 45 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 45 and name N and segid B) 2.85 1.15 1.15
assign (resid 37 and name O and segid B) (resid 45 and name HN and segid B) 1.9 0.1 0.1
assign (resid 45 and name C and segid B) (resid 37 and name N and segid B) 2.85 1.15 1.15
assign (resid 45 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 47 and name N and segid A) 2.85 1.15 1.15
assign (resid 35 and name O and segid A) (resid 47 and name HN and segid A) 1.9 0.1 0.1
assign (resid 47 and name C and segid A) (resid 35 and name N and segid A) 2.85 1.15 1.15
assign (resid 47 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 47 and name N and segid B) 2.85 1.15 1.15
assign (resid 35 and name O and segid B) (resid 47 and name HN and segid B) 1.9 0.1 0.1
assign (resid 47 and name C and segid B) (resid 35 and name N and segid B) 2.85 1.15 1.15
assign (resid 47 and name O and segid B) (resid 35 and name HN and segid B) 1.9 0.1 0.1

!b-sheet 4' and 4 hydrogen bond constraints
assign (resid 44 and name C and segid A) (resid 46 and name N and segid B) 2.85 1.15 1.15
assign (resid 44 and name O and segid A) (resid 46 and name HN and segid B) 1.9 0.1 0.1
assign (resid 46 and name C and segid A) (resid 44 and name N and segid B) 2.85 1.15 1.15
assign (resid 46 and name O and segid A) (resid 44 and name HN and segid B) 1.9 0.1 0.1
assign (resid 44 and name C and segid B) (resid 46 and name N and segid A) 2.85 1.15 1.15
assign (resid 44 and name O and segid B) (resid 46 and name HN and segid A) 1.9 0.1 0.1
assign (resid 46 and name C and segid B) (resid 44 and name N and segid A) 2.85 1.15 1.15
assign (resid 46 and name O and segid B) (resid 44 and name HN and segid A) 1.9 0.1 0.11


!a-helix 1 and 1' hydrogen bond constraints
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	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	27611	2ro5	11034	cing	1-original	2	XPLOR/CNS	distance	hydrogen bond	simple