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

24274 2k1n cing 1-original 2 XPLOR/CNS distance hydrogen bond simple

DNA- H-bonds
!1st base pair
assign (resid 20 and name N2 and segid B) (resid 195 and name O2 and segid B) 2.85 0.5 0.5
assign (resid 20 and name N1 and segid B) (resid 195 and name N3 and segid B) 2.85 0.5 0.5
!assign (resid 20 and name N3 and segid B) (resid 195 and name N1 and segid B) 2.85 0.5 0.5

!2nd base pair
assign (resid 21 and name N1 and segid B) (resid 194 and name N3 and segid B) 2.88 0.5 0.5
assign (resid 21 and name N6 and segid B) (resid 194 and name O4 and segid B) 2.95 0.5 0.5

!3rd base pair
assign (resid 22 and name N3 and segid B) (resid 193 and name N1 and segid B) 2.88 0.5 0.5
assign (resid 22 and name O4 and segid B) (resid 193 and name N6 and segid B) 2.95 0.5 0.5

!4th base pair
assign (resid 23 and name N3 and segid B) (resid 192 and name N1 and segid B) 2.88 0.5 0.5
assign (resid 23 and name O4 and segid B) (resid 192 and name N6 and segid B) 2.95 0.5 0.5

!5th base pair
assign (resid 24 and name N2 and segid B) (resid 191 and name O2 and segid B) 2.85 0.5 0.5
assign (resid 24 and name N1 and segid B) (resid 191 and name N3 and segid B) 2.85 0.5 0.5
!assign (resid 24 and name N3 and segid B) (resid 191 and name N1 and segid B) 2.85 0.5 0.5

!6th base pair
assign (resid 25 and name N1 and segid B) (resid 190 and name N3 and segid B) 2.88 0.5 0.5
assign (resid 25 and name N6 and segid B) (resid 190 and name O4 and segid B) 2.95 0.5 0.5

!7th base pair
assign (resid 26 and name O2 and segid B) (resid 189 and name N2 and segid B) 2.85 0.5 0.5
assign (resid 26 and name N3 and segid B) (resid 189 and name N1 and segid B) 2.85 0.5 0.5
!assign (resid 26 and name N1 and segid B) (resid 189 and name N3 and segid B) 2.85 0.5 0.5

!8th base pair
assign (resid 27 and name N1 and segid B) (resid 188 and name N3 and segid B) 2.88 0.5 0.5
assign (resid 27 and name N6 and segid B) (resid 188 and name O4 and segid B) 2.95 0.5 0.5

!9th base pair
assign (resid 28 and name N1 and segid B) (resid 187 and name N3 and segid B) 2.88 0.5 0.5
assign (resid 28 and name N6 and segid B) (resid 187 and name O4 and segid B) 2.95 0.5 0.5

!10th base pair
assign (resid 29 and name N3 and segid B) (resid 186 and name N1 and segid B) 2.88 0.5 0.5
assign (resid 29 and name O4 and segid B) (resid 186 and name N6 and segid B) 2.95 0.5 0.5

!11th base pair
assign (resid 30 and name N3 and segid B) (resid 185 and name N1 and segid B) 2.88 0.5 0.5
assign (resid 30 and name O4 and segid B) (resid 185 and name N6 and segid B) 2.95 0.5 0.5

!12th base pair
assign (resid 31 and name N1 and segid B) (resid 184 and name N3 and segid B) 2.88 0.5 0.5
assign (resid 31 and name N6 and segid B) (resid 184 and name O4 and segid B) 2.96 0.5 0.5

!13th base pair
assign (resid 32 and name N3 and segid B) (resid 183 and name N1 and segid B) 2.88 0.5 0.5
assign (resid 32 and name O4 and segid B) (resid 183 and name N6 and segid B) 2.96 0.5 0.5

!14th base pair
assign (resid 33 and name N3 and segid B) (resid 182 and name N1 and segid B) 2.88 0.5 0.5
assign (resid 33 and name O4 and segid B) (resid 182 and name N6 and segid B) 2.95 0.5 0.5

!15st base pair
assign (resid 34 and name N2 and segid B) (resid 181 and name O2 and segid B) 2.84 0.5 0.5
assign (resid 34 and name N1 and segid B) (resid 181 and name N3 and segid B) 2.85 0.5 0.5
!assign (resid 34 and name N3 and segid B) (resid 181 and name N1 and segid B) 2.87 0.5 0.5

!16st base pair
assign (resid 35 and name N2 and segid B) (resid 180 and name O2 and segid B) 2.84 0.5 0.5
assign (resid 35 and name N1 and segid B) (resid 180 and name N3 and segid B) 2.85 0.5 0.5
!assign (resid 35 and name N3 and segid B) (resid 180 and name N1 and segid B) 2.86 0.5 0.5

!17th base pair
assign (resid 36 and name N1 and segid B) (resid 179 and name N3 and segid B) 2.88 0.5 0.5
assign (resid 36 and name N6 and segid B) (resid 179 and name O4 and segid B) 2.96 0.5 0.5

!18th base pair
assign (resid 37 and name N1 and segid B) (resid 178 and name N3 and segid B) 2.89 0.5 0.5
assign (resid 37 and name N6 and segid B) (resid 178 and name O4 and segid B) 2.95 0.5 0.5

!19th base pair
assign (resid 38 and name N1 and segid B) (resid 177 and name N3 and segid B) 2.88 0.5 0.5
assign (resid 38 and name N6 and segid B) (resid 177 and name O4 and segid B) 2.97 0.5 0.5

!20th base pair
assign (resid 39 and name O2 and segid B) (resid 176 and name N2 and segid B) 2.83 0.5 0.5
assign (resid 39 and name N3 and segid B) (resid 176 and name N1 and segid B) 2.85 0.5 0.5
!assign (resid 39 and name N1 and segid B) (resid 176 and name N3 and segid B) 2.87 0.5 0.5

!21st base pair
assign (resid 40 and name O2 and segid B) (resid 175 and name N2 and segid B) 2.84 0.5 0.5
assign (resid 40 and name N3 and segid B) (resid 175 and name N1 and segid B) 2.85 0.5 0.5
!assign (resid 40 and name N1 and segid B) (resid 175 and name N3 and segid B) 2.86 0.5 0.5

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Contact the webmaster for help, if required. Monday, July 1, 2024 11:39:47 PM GMT (wattos1)

image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	24274	2k1n	cing	1-original	2	XPLOR/CNS	distance	hydrogen bond	simple