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

1372 1ajt cing 1-original 2 XPLOR/CNS distance NOE simple
{ to keep base pairs planar and A-form}

assign (residue 2 and name o6)(residue 3 and name o6) 3.0 0.0 3.5
assign (residue 2 and name h22)(residue 3 and name h22) 3.0 0.0 3.5
assign (residue 2 and name h1)(residue 23 and name h41) 3.0 0.0 3.5
assign (residue 3 and name h1)(residue 24 and name h41) 3.0 0.0 3.5
assign (residue 12 and name h3)(residue 20 and name h22) 3.0 0.0 3.5
assign (residue 19 and name h61)(residue 11 and name h41) 3.0 0.0 3.5
assign (residue 19 and name h61)(residue 13 and name h41) 3.0 0.0 3.5

assign (residue 23 and name h42)(residue 24 and name h42) 3.0 0.0 3.5
assign (residue 18 and name h21)(residue 19 and name h2) 3.0 0.0 3.5
assign (residue 18 and name h1)(residue 19 and name h2) 3.0 0.0 3.5
assign (residue 18 and name h1)(residue 19 and name h61) 3.0 0.0 3.5
assign (residue 19 and name h61)(residue 20 and name h1) 3.0 0.0 3.5
assign (residue 11 and name h41)(residue 12 and name h3) 3.0 0.0 3.5

{water noesy peaks}

assign (residue 23 and name h5)(residue 23 and name h41)1.8 0.0 3.2
assign (residue 23 and name h5)(residue 23 and name h42)1.8 0.0 3.2
assign (residue 3 and name h1)(residue 23 and name h41)1.8 0.0 3.2
assign (residue 3 and name h1)(residue 23 and name h42) 1.8 0.0 3.2
assign (residue 11 and name h5)(residue 11 and name h41)1.8 0.0 3.2 
assign (residue 11 and name h5)(residue 11 and name h42)1.8 0.0 3.2
assign (residue 20 and name h1)(residue 11 and name h41)1.8 0.0 3.2 
assign (residue 20 and name h1)(residue 11 and name h42)1.8 0.0 3.2
assign (residue 13 and name h5)(residue 13 and name h41)1.8 0.0 3.2
assign (residue 13 and name h5)(residue 13 and name h42)1.8 0.0 3.2
assign (residue 24 and name h5)(residue 24 and name h41)1.8 0.0 3.2
assign (residue 24 and name h5)(residue 24 and name h42)1.8 0.0 3.2
assign (residue 2 and name h1)(residue 24 and name h41) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 24 and name h42) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 13 and name h41) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 13 and name h42) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 2 and name h21) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 2 and name h22) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 18 and name h21) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 18 and name h22) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 13 and name h41) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 13 and name h42) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 19 and name h61) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 19 and name h62) 1.8 0.0 3.2

{noesy aromatic/sugar region }

assign (residue 7 and name h4')(residue 8 and name h8)2.0 0.0 2.0
assign (residue 7 and name h6)(residue 7 and name h2'')1.8 0.0 1.2
assign (residue 4 and name h6)(residue 3 and name h2'')1.8 0.0 1.2
assign (residue 10 and name h8)(residue 9 and name h2'')1.8 0.0 1.2
assign (residue 9 and name h8)(residue 9 and name h2'')1.8 0.0 1.2
assign (residue 12 and name h6)(residue 11 and name h2'')1.8 0.0 1.2
assign (residue 12 and name h6)(residue 12 and name h2'')1.8 0.0 1.2
assign (residue 5 and name h8)(residue 4 and name h2'')1.8 0.0 1.2
assign (residue 5 and name h8)(residue 5 and name h2'')2.0 0.2 2.0
assign (residue 11 and name h6)(residue 10 and name h2'')1.8 0.0 1.2
assign (residue 13 and name h6)(residue 12 and name h2'')1.8 0.0 1.2
assign (residue 24 and name h6)(residue 23 and name h2'')1.8 0.0 1.2
assign (residue 21 and name h6)(residue 20 and name h2'')2.0 0.2 2.0  {overlap}
assign (residue 8 and name h8)(residue 8 and name h2'')2.0 0.2 2.0  {overlap}
assign (residue 8 and name h2'')(residue 9 and name h8)1.8 0.0 1.2
assign (residue 3 and name h8)(residue 2 and name h2'')1.8 0.0 1.2
assign (residue 2 and name h8)(residue 2 and name h2'')1.8 0.0 1.2
assign (residue 20 and name h3')(residue 20 and name h8)1.8 0.0 1.2
assign (residue 20 and name h8)(residue 19 and name h2'')2.0 0.0 2.0
assign (residue 22 and name h8)(residue 22 and name h2'')2.0 0.2 2.0
assign (residue 22 and name h8)(residue 22 and name h3')1.8 0.0 1.2
assign (residue 6 and name h8)(residue 5 and name h2'')1.8 0.0 1.2
assign (residue 6 and name h8)(residue 6 and name h2'')1.8 0.0 1.2
assign (residue 7 and name h6)(residue 6 and name h2'')2.0 0.0 2.0
assign (residue 10 and name h8)(residue 10 and name h2'')2.0 0.2 2.0
assign (residue 23 and name h6)(residue 22 and name h2'')2.0 0.0 2.0
assign (residue 22 and name h8)(residue 21 and name h2'')2.0 0.0 2.0
assign (residue 9 and name h8)(residue 9 and name h3')2.0 0.0 2.0
assign (residue 3 and name h8)(residue 3 and name h2'')2.0 0.0 2.0
assign (residue 9 and name h8)(residue 9 and name h4')3.0 0.5 2.0
assign (residue 4 and name h6)(residue 4 and name h2'')2.0 0.0 2.0


assign (residue 19 and name h8)(residue 18 and name h2'')1.8 0.0 1.2
assign (residue 19 and name h8)(residue 19 and name h2'')1.8 0.0 1.2
assign (residue 18 and name h8)(residue 18 and name h2'')2.0 0.0 2.0
assign (residue 9 and name h8)(residue 8 and name h3')3.0 0.5 2.0
assign (residue 23 and name h6)(residue 23 and name h3')1.8 0.0 1.2
assign (residue 23 and name h6)(residue 23 and name h2'')1.8 0.0 1.2
assign (residue 7 and name h6)(residue 7 and name h4')3.0 0.5 2.0
assign (residue 20 and name h8)(residue 20 and name h2'')2.0 0.0 2.0
assign (residue 6 and name h8)(residue 6 and name h3')2.0 0.0 2.0
assign (residue 6 and name h8)(residue 5 and name h3')3.0 0.5 2.0
assign (residue 21 and name h6)(residue 20 and name h3')1.8 0.0 1.2
assign (residue 12 and name h6)(residue 11 and name h3')2.0 0.0 2.0
assign (residue 12 and name h6)(residue 12 and name h3')3.0 0.5 2.0 
assign (residue 13 and name h6)(residue 13 and name h3')2.0 0.0 2.0
assign (residue 4 and name h6)(residue 3 and name h3')1.8 0.0 1.2
assign (residue 11 and name h6)(residue 11 and name h3')2.0 0.0 2.0
assign (residue 24 and name h6)(residue 24 and name h2'')2.0 0.0 2.0
assign (residue 24 and name h6)(residue 23 and name h3')2.0 0.0 2.0
assign (residue 24 and name h6)(residue 24 and name h3')2.0 0.0 2.0
assign (residue 13 and name h6)(residue 13 and name h2'')3.0 0.5 2.0

{noesy aromatic/h1' region}

assign (residue 5 and name h2)(residue 22 and name h1')2.0 0.0 2.0
assign (residue 5 and name h2)(residue 6 and name h1')2.0 0.0 2.0
assign (residue 7 and name h6)(residue 7 and name h1')2.0 0.0 2.0
assign (residue 22 and name h2)(residue 5 and name h1')1.8 0.0 1.2
assign (residue 22 and name h2)(residue 23 and name h1')1.8 0.0 1.2
assign (residue 2 and name h8)(residue 2 and name h1')3.0 0.5 2.0
assign (residue 19 and name h2)(residue 20 and name h1')1.8 0.0 1.2
assign (residue 19 and name h2)(residue 13 and name h1')2.0 0.0 2.0
assign (residue 21 and name h1')(residue 21 and name h6)2.0 0.0 2.0 
assign (residue 19 and name h1')(residue 19 and name h8)2.0 0.0 2.0
assign (residue 22 and name h1')(residue 22 and name h8)2.0 0.0 2.0
assign (residue 9 and name h1')(residue 9 and name h8)2.0 0.0 2.0
assign (residue 9 and name h1')(residue 10 and name h8)2.0 0.0 2.0
assign (residue 10 and name h1')(residue 10 and name h8)2.0 0.2 2.0
assign (residue 5 and name h1')(residue 5 and name h8)2.0 0.0 2.0
assign (residue 12 and name h1')(residue 12 and name h6)2.0 0.2 2.0
assign (residue 13 and name h1')(residue 13 and name h6)2.0 0.2 2.0
assign (residue 24 and name h1')(residue 24 and name h6)2.0 0.0 2.0
assign (residue 8 and name h1')(residue 8 and name h8)2.0 0.2 2.0
assign (residue 3 and name h1')(residue 3 and name h8)3.0 0.5 2.0
assign (residue 20 and name h1')(residue 20 and name h8)3.0 0.5 2.0
assign (residue 4 and name h1')(residue 4 and name h6)3.0 0.5 2.0
assign (residue 19 and name h1')(residue 20 and name h8)3.0 0.5 2.0
assign (residue 20 and name h1')(residue 21 and name h6)3.0 0.5 2.0
assign (residue 22 and name h1')(residue 23 and name h6)3.0 0.5 2.0
assign (residue 23 and name h1')(residue 23 and name h6)3.0 0.5 2.0
assign (residue 10 and name h1')(residue 11 and name h6)3.0 0.5 2.0
assign (residue 11 and name h1')(residue 12 and name h6)3.0 0.5 2.0
assign (residue 12 and name h1')(residue 13 and name h6)3.0 0.5 2.0
assign (residue 2 and name h1')(residue 3 and name h8)3.0 0.5 2.0
assign (residue 3 and name h1')(residue 4 and name h6)3.0 0.5 2.0
assign (residue 4 and name h1')(residue 5 and name h8)3.0 0.5 2.0
assign (residue 5 and name h1')(residue 6 and name h8)3.0 0.5 2.0
assign (residue 6 and name h1')(residue 6 and name h8)3.0 0.5 2.0
assign (residue 6 and name h1')(residue 7 and name h6)3.0 0.5 2.0
assign (residue 8 and name h1')(residue 9 and name h8)2.0 0.2 2.5
assign (residue 9 and name h2)(residue 10 and name h1')2.0 0.0 2.0
assign (residue 21 and name h1')(residue 22 and name h8)3.0 0.5 3.0
assign (residue 11 and name h1')(residue 11 and name h6)3.0 0.5 2.0
assign (residue 23 and name h1')(residue 24 and name h6)3.0 0.5 2.0
assign (residue 22 and name h1')(residue 22 and name h2)3.0 0.5 3.0

assign (residue 8 and name h2)(residue 9 and name h1')2.0 0.0 2.0

{1dnoe's}

assign (residue 18 and name h1)(residue 12 and name h3)4 1 1
assign (residue 12 and name h3)(residue 20 and name h1)4 1 1
assign (residue 20 and name h1)(residue 10 and name h1)4 1 1
assign (residue 20 and name h1)(residue 21 and name h3)3 1 1.5
assign (residue 2 and name h1)(residue 3 and name h1)3 1 1.5


{400ms noesy aromatic/aromatic }

assign (residue 3 and name h8)(residue 4 and name h6)3.0 0.5 3.0
assign (residue 4 and name h6)(residue 5 and name h8)3.0 0.5 3.0
assign (residue 5 and name h8)(residue 6 and name h8)3.0 0.5 3.0
assign (residue 6 and name h8)(residue 7 and name h6)3.0 0.5 3.0
assign (residue 18 and name h8)(residue 19 and name h8)3.0 0.5 3.0
assign (residue 19 and name h8)(residue 20 and name h8)3.0 0.5 3.0
assign (residue 20 and name h8)(residue 21 and name h6)3.0 0.5 3.0
assign (residue 22 and name h8)(residue 23 and name h6)3.0 0.5 3.0
assign (residue 9 and name h8)(residue 10 and name h8)3.0 0.5 3.0


{400ms noesy aromatic/h5's }


assign (residue 12 and name h6)(residue 13 and name h5)3.0 0.5 3.0
assign (residue 20 and name h8)(residue 21 and name h5)3.0 0.5 3.0
assign (residue 6 and name h8)(residue 7 and name h5)3.0 0.5 3.0
assign (residue 22 and name h8)(residue 23 and name h5)3.0 0.5 3.0
assign (residue 3 and name h8)(residue 4 and name h5)3.0 0.5 3.0

{h5/sugars}

assign (residue 23 and name h5)(residue 22 and name h2'')2.0 0.0 2.0 
assign (residue 4 and name h5)(residue 3 and name h3')3.0 0.5 2.0
assign (residue 4 and name h5)(residue 3 and name h2'')3.0 0.5 3.0 
assign (residue 7 and name h5)(residue 7 and name h2'')3.0 0.5 2.0 
assign (residue 13 and name h5)(residue 13 and name h3')3.0 0.5 2.0
assign (residue 13 and name h5)(residue 12 and name h3')3.0 0.5 2.0
assign (residue 13 and name h5)(residue 12 and name h2'')2.0 0.0 2.0 
assign (residue 11 and name h5)(residue 10 and name h2'')2.0 0.0 2.0
assign (residue 21 and name h5)(residue 20 and name h2'')2.0 0.0 2.0
assign (residue 24 and name h5)(residue 23 and name h2'')3.0 0.5 2.0 {overlap}
assign (residue 21 and name h5)(residue 20 and name h3')3.0 0.5 2.0 {20deg}
assign (residue 23 and name h5)(residue 22 and name h3')3.0 0.5 3.0 

assign (residue 11 and name h5)(residue 10 and name h3')2.0 0.0 2.0
assign (residue 12 and name h5)(residue 11 and name h2'')3.0 0.5 2.0 {20deg}
assign (residue 12 and name h5)(residue 11 and name h3')3.0 0.5 2.0 {20deg}
assign (residue 24 and name h5)(residue 23 and name h3')3.0 0.5 2.0  {20deg}

assign (residue 23 and name h5)(residue 22 and name h1')3.0 0.5 3.0

{negative constraints}

assign (residue 7 and name h5)(residue 5 and name h2) 6 1 60 
assign (residue 7 and name h1')(residue 9 and name h8) 6 1 60
assign (residue 7 and name h5)(residue 5 and name h8) 6 1 60
assign (residue 7 and name h5)(residue 5 and name h2'') 6 1 60 
assign (residue 7 and name h5')(residue 8 and name h2) 6 1 60
assign (residue 7 and name h5'')(residue 8 and name h2) 6 1 60

assign (residue 3 and name h8)(residue 4 and name h3') 6 1 60 
assign (residue 21 and name h3')(residue 22 and name h3') 6 1 60
assign (residue 5 and name h2)(residue 6 and name h2) 6 1 60
assign (residue 6 and name h2)(residue 20 and name h3') 6 1 60 
assign (residue 6 and name h2)(residue 21 and name h6) 6 1 60
assign (residue 6 and name h2)(residue 21 and name h5) 6 1 60  
assign (residue 5 and name h2)(residue 6 and name h8) 6 1 60
assign (residue 5 and name h2)(residue 6 and name h2'') 6 1 60 
assign (residue 6 and name h1')(residue 7 and name h5) 6 1 60
assign (residue 7 and name h1')(residue 8 and name h8) 6 1 60  

assign (residue 5 and name h8)(residue 7 and name h5) 6 1 60 
assign (residue 6 and name h2)(residue 7 and name h5) 6 1 60
assign (residue 6 and name h2'')(residue 5 and name h2) 6 1 60
assign (residue 7 and name h5)(residue 5 and name h2) 6 1 60 
assign (residue 7 and name h5)(residue 6 and name h1') 6 1 60
assign (residue 21 and name h5)(residue 7 and name h5) 6 1 60  
assign (residue 22 and name h3')(residue 21 and name h3') 6 1 60

assign (residue 8 and name h2)(residue 9 and name h8) 6 1 60
assign (residue 8 and name h2)(residue 9 and name h2'') 6 1 60
assign (residue 8 and name h2)(residue 10 and name h8) 6 1 60
assign (residue 9 and name h1')(residue 10 and name h1') 6 1 60
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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	1372	1ajt	cing	1-original	2	XPLOR/CNS	distance	NOE	simple