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

538178 2lrt 18394 cing 1-original 4 XPLOR/CNS distance hydrogen bond simple

! H-Bond restraints for D2
! CSI derived hbond restraint:
! Alpha helix hbonds - from CSI
! Only included if NH is still present in 15N HSQC after lyophilising
! or no exchange peak to H2O in NOESY/TOCSY

assign (resid  57 and name N) (resid  53 and name O) 2.8 0.0 0.5 
assign (resid  57 and name H) (resid  53 and name O) 1.8 0.0 0.5 
assign (resid  58 and name N) (resid  54 and name O) 2.8 0.0 0.5 
assign (resid  58 and name H) (resid  54 and name O) 1.8 0.0 0.5 
assign (resid  59 and name N) (resid  55 and name O) 2.8 0.0 0.5 
assign (resid  59 and name H) (resid  55 and name O) 1.8 0.0 0.5 
assign (resid  60 and name N) (resid  56 and name O) 2.8 0.0 0.5 
assign (resid  60 and name H) (resid  56 and name O) 1.8 0.0 0.5 
assign (resid  61 and name N) (resid  57 and name O) 2.8 0.0 0.5 
assign (resid  61 and name H) (resid  57 and name O) 1.8 0.0 0.5 
assign (resid  62 and name N) (resid  58 and name O) 2.8 0.0 0.5 
assign (resid  62 and name H) (resid  58 and name O) 1.8 0.0 0.5 
assign (resid  63 and name N) (resid  59 and name O) 2.8 0.0 0.5 
assign (resid  63 and name H) (resid  59 and name O) 1.8 0.0 0.5 
assign (resid  64 and name N) (resid  60 and name O) 2.8 0.0 0.5 
assign (resid  64 and name H) (resid  60 and name O) 1.8 0.0 0.5 
assign (resid  65 and name N) (resid  61 and name O) 2.8 0.0 0.5 
assign (resid  65 and name H) (resid  61 and name O) 1.8 0.0 0.5 

assign (resid  85 and name N) (resid  81 and name O) 2.8 0.0 0.5 
assign (resid  85 and name H) (resid  81 and name O) 1.8 0.0 0.5 
assign (resid  86 and name N) (resid  82 and name O) 2.8 0.0 0.5 
assign (resid  86 and name H) (resid  82 and name O) 1.8 0.0 0.5 
assign (resid  87 and name N) (resid  83 and name O) 2.8 0.0 0.5 
assign (resid  87 and name H) (resid  83 and name O) 1.8 0.0 0.5 
assign (resid  88 and name N) (resid  84 and name O) 2.8 0.0 0.5 
assign (resid  88 and name H) (resid  84 and name O) 1.8 0.0 0.5 

assign (resid 140 and name N) (resid 136 and name O) 2.8 0.0 0.5
assign (resid 140 and name H) (resid 136 and name O) 1.8 0.0 0.5
assign (resid 141 and name N) (resid 137 and name O) 2.8 0.0 0.5 
assign (resid 141 and name H) (resid 137 and name O) 1.8 0.0 0.5 
assign (resid 142 and name N) (resid 138 and name O) 2.8 0.0 0.5 
assign (resid 142 and name H) (resid 138 and name O) 1.8 0.0 0.5 
assign (resid 143 and name N) (resid 139 and name O) 2.8 0.0 0.5
assign (resid 143 and name H) (resid 139 and name O) 1.8 0.0 0.5
assign (resid 144 and name N) (resid 140 and name O) 2.8 0.0 0.5
assign (resid 144 and name H) (resid 140 and name O) 1.8 0.0 0.5


!beta strand H-Bonds added after first round of structure calculations
!also loop hbonds
!only included if NHs present after lyophilising sample into D2O

assign (resid 20 and name N) (resid 28 and name O) 2.8 0.0 0.5
assign (resid 20 and name H) (resid 28 and name O) 1.8 0.0 0.5
assign (resid 22 and name N) (resid 26 and name O) 2.8 0.0 0.5
assign (resid 22 and name H) (resid 26 and name O) 1.8 0.0 0.5

assign (resid 36 and name N) (resid 33 and name O) 2.8 0.0 0.5
assign (resid 36 and name H) (resid 33 and name O) 1.8 0.0 0.5
assign (resid 37 and name N) (resid 68 and name O) 2.8 0.0 0.5
assign (resid 37 and name H) (resid 68 and name O) 1.8 0.0 0.5
assign (resid 38 and name N) (resid 120 and name O) 2.8 0.0 0.5
assign (resid 38 and name H) (resid 120 and name O) 1.8 0.0 0.5
assign (resid 39 and name N) (resid 70 and name O) 2.8 0.0 0.5
assign (resid 39 and name H) (resid 70 and name O) 1.8 0.0 0.5
assign (resid 40 and name N) (resid 118 and name O) 2.8 0.0 0.5
assign (resid 40 and name H) (resid 118 and name O) 1.8 0.0 0.5
assign (resid 41 and name N) (resid 72 and name O) 2.8 0.0 0.5
assign (resid 41 and name H) (resid 72 and name O) 1.8 0.0 0.5
assign (resid 42 and name N) (resid 116 and name O) 2.8 0.0 0.5
assign (resid 42 and name H) (resid 116 and name O) 1.8 0.0 0.5
assign (resid 43 and name N) (resid 74 and name O) 2.8 0.0 0.5
assign (resid 43 and name H) (resid 74 and name O) 1.8 0.0 0.5


assign (resid 70 and name N) (resid 37 and name O) 2.8 0.0 0.5
assign (resid 70 and name H) (resid 37 and name O) 1.8 0.0 0.5
assign (resid 72 and name N) (resid 39 and name O) 2.8 0.0 0.5
assign (resid 72 and name H) (resid 39 and name O) 1.8 0.0 0.5
assign (resid 73 and name N) (resid 93 and name O) 2.8 0.0 0.5
assign (resid 73 and name H) (resid 93 and name O) 1.8 0.0 0.5
assign (resid 74 and name N) (resid 41 and name O) 2.8 0.0 0.5
assign (resid 74 and name H) (resid 41 and name O) 1.8 0.0 0.5
assign (resid 75 and name N) (resid 95 and name O) 2.8 0.0 0.5
assign (resid 75 and name H) (resid 95 and name O) 1.8 0.0 0.5
assign (resid 76 and name N) (resid 43 and name O) 2.8 0.0 0.5
assign (resid 76 and name H) (resid 43 and name O) 1.8 0.0 0.5

assign (resid 93 and name N) (resid 71 and name O) 2.8 0.0 0.5
assign (resid 93 and name H) (resid 71 and name O) 1.8 0.0 0.5
assign (resid 95 and name N) (resid 73 and name O) 2.8 0.0 0.5
assign (resid 95 and name H) (resid 73 and name O) 1.8 0.0 0.5
assign (resid 96 and name N) (resid 21 and name O) 2.8 0.0 0.5
assign (resid 96 and name H) (resid 21 and name O) 1.8 0.0 0.5

assign (resid 116 and name N) (resid 42 and name O) 2.8 0.0 0.5
assign (resid 116 and name H) (resid 42 and name O) 1.8 0.0 0.5
assign (resid 118 and name N) (resid 40 and name O) 2.8 0.0 0.5
assign (resid 118 and name H) (resid 40 and name O) 1.8 0.0 0.5
assign (resid 119 and name N) (resid 128 and name O) 2.8 0.0 0.5
assign (resid 119 and name H) (resid 128 and name O) 1.8 0.0 0.5
assign (resid 120 and name N) (resid 38 and name O) 2.8 0.0 0.5
assign (resid 120 and name H) (resid 38 and name O) 1.8 0.0 0.5

assign (resid 121 and name N) (resid 125 and name O) 2.8 0.0 0.5
assign (resid 121 and name H) (resid 125 and name O) 1.8 0.0 0.5
assign (resid 125 and name N) (resid 121 and name O) 2.8 0.0 0.5
assign (resid 125 and name H) (resid 121 and name O) 1.8 0.0 0.5

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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	538178	2lrt	18394	cing	1-original	4	XPLOR/CNS	distance	hydrogen bond	simple