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
	526869	2l8i	17409	cing	1-original	2	XPLOR/CNS	distance	hydrogen bond	simple

!  These restraints are derived from high-resolution X-ray structures of the
!  individual basepairs. The use of these restraints is described in Huang et
!  al. EMBO (2000) 19(11):2615-2628.  Two of these restraints (per basepair)
!  are cross-hydrogen bond in order to prevent shearing of the basepair. These
!  are O6-N3 and N2-N3 for G:C basepairs and N1-O4 and N1-O2 for A:T basepairs.
!  ----------------------------------

!GC basepairs
assign (resid 25 and name n1) (resid 2 and name n3) 2.87 .2 .2
assign (resid 25 and name h1) (resid 2 and name n3) 1.86 0.2 0.2
assign (resid 25 and name o6) (resid 2 and name n4) 2.81 .2 .2
assign (resid 25 and name n2) (resid 2 and name o2) 2.81 .2 .2
assign (resid 25 and name n2) (resid 2 and name n3) 3.58 0.2 0.2
assign (resid 25 and name o6) (resid 2 and name n3) 3.63 0.2 0.2

assign (resid 1 and name n1) (resid 26 and name n3) 2.87 .2 .2
assign (resid 1 and name h1) (resid 26 and name n3) 1.86 0.2 0.2
assign (resid 1 and name o6) (resid 26 and name n4) 2.81 .2 .2
assign (resid 1 and name n2) (resid 26 and name o2) 2.81 .2 .2
assign (resid 1 and name n2) (resid 26 and name n3) 3.58 0.2 0.2
assign (resid 1 and name o6) (resid 26 and name n3) 3.63 0.2 0.2

assign (resid 4 and name n1) (resid 23 and name n3) 2.87 .2 .2
assign (resid 4 and name h1) (resid 23 and name n3) 1.86 0.2 0.2
assign (resid 4 and name o6) (resid 23 and name n4) 2.81 .2 .2
assign (resid 4 and name n2) (resid 23 and name o2) 2.81 .2 .2
assign (resid 4 and name n2) (resid 23 and name n3) 3.58 0.2 0.2
assign (resid 4 and name o6) (resid 23 and name n3) 3.63 0.2 0.2

assign (resid 22 and name n1) (resid 5 and name n3) 2.87 .2 .2
assign (resid 22 and name h1) (resid 5 and name n3) 1.86 0.2 0.2
assign (resid 22 and name o6) (resid 5 and name n4) 2.81 .2 .2
assign (resid 22 and name n2) (resid 5 and name o2) 2.81 .2 .2
assign (resid 22 and name n2) (resid 5 and name n3) 3.58 0.2 0.2
assign (resid 22 and name o6) (resid 5 and name n3) 3.63 0.2 0.2

assign (resid 10 and name n1) (resid 17 and name n3) 2.87 .2 .2
assign (resid 10 and name h1) (resid 17 and name n3) 1.86 0.2 0.2
assign (resid 10 and name o6) (resid 17 and name n4) 2.81 .2 .2
assign (resid 10 and name n2) (resid 17 and name o2) 2.81 .2 .2
assign (resid 10 and name n2) (resid 17 and name n3) 3.58 0.2 0.2
assign (resid 10 and name o6) (resid 17 and name n3) 3.63 0.2 0.2

assign (resid 18 and name n1) (resid 9 and name n3) 2.87 .2 .2
assign (resid 18 and name h1) (resid 9 and name n3) 1.86 0.2 0.2
assign (resid 18 and name o6) (resid 9 and name n4) 2.81 .2 .2
assign (resid 18 and name n2) (resid 9 and name o2) 2.81 .2 .2
assign (resid 18 and name n2) (resid 9 and name n3) 3.58 0.2 0.2
assign (resid 18 and name o6) (resid 9 and name n3) 3.63 0.2 0.2

assign (resid 15 and name n1) (resid 12 and name n3) 2.87 .2 .2
assign (resid 15 and name h1) (resid 12 and name n3) 1.86 0.2 0.2
assign (resid 15 and name o6) (resid 12 and name n4) 2.81 .2 .2
assign (resid 15 and name n2) (resid 12 and name o2) 2.81 .2 .2
assign (resid 15 and name n2) (resid 12 and name n3) 3.58 0.2 0.2
assign (resid 15 and name o6) (resid 12 and name n3) 3.63 0.2 0.2

assign (resid 13 and name n1) (resid 14 and name n3) 2.87 .2 .2
assign (resid 13 and name h1) (resid 14 and name n3) 1.86 0.2 0.2
assign (resid 13 and name o6) (resid 14 and name n4) 2.81 .2 .2
assign (resid 13 and name n2) (resid 14 and name o2) 2.81 .2 .2
assign (resid 13 and name n2) (resid 14 and name n3) 3.58 0.2 0.2
assign (resid 13 and name o6) (resid 14 and name n3) 3.63 0.2 0.2


!AT bastpairs
assign (resid 24 and name n1) (resid 3 and name n3) 2.92 .2 .2
assign (resid 24 and name n1) (resid 3 and name h3) 1.81 .2 .2
assign (resid 24 and name n6) (resid 3 and name o4) 2.89 .2 .2
assign (resid 24 and name h2) (resid 3 and name o2) 2.94 0.2 0.2
assign (resid 24 and name n1) (resid 3 and name o4) 3.69 0.2 0.2
assign (resid 24 and name n1) (resid 3 and name o2) 3.67 0.2 0.2

assign (resid 6 and name n1) (resid 21 and name n3) 2.92 .2 .2
assign (resid 6 and name n1) (resid 21 and name h3) 1.81 .2 .2
assign (resid 6 and name n6) (resid 21 and name o4) 2.89 .3 .3
assign (resid 6 and name h2) (resid 21 and name o2) 2.94 0.3 0.3
assign (resid 6 and name n1) (resid 21 and name o4) 3.69 0.3 0.3
assign (resid 6 and name n1) (resid 21 and name o2) 3.67 0.3 0.3

assign (resid 7 and name n1) (resid 20 and name n3) 2.92 .2 .2
assign (resid 7 and name n1) (resid 20 and name h3) 1.81 .2 .2
assign (resid 7 and name n6) (resid 20 and name o4) 2.89 .3 .3
assign (resid 7 and name h2) (resid 20 and name o2) 2.94 0.3 0.3
assign (resid 7 and name n1) (resid 20 and name o4) 3.69 0.3 0.3
assign (resid 7 and name n1) (resid 20 and name o2) 3.67 0.3 0.3

assign (resid 8 and name n1) (resid 19 and name n3) 2.92 .2 .2
assign (resid 8 and name n1) (resid 19 and name h3) 1.81 .2 .2
assign (resid 8 and name n6) (resid 19 and name o4) 2.89 .3 .3
assign (resid 8 and name h2) (resid 19 and name o2) 2.94 0.3 0.3
assign (resid 8 and name n1) (resid 19 and name o4) 3.69 0.3 0.3
assign (resid 8 and name n1) (resid 19 and name o2) 3.67 0.3 0.3

assign (resid 16 and name n1) (resid 11 and name n3) 2.92 .2 .2
assign (resid 16 and name n1) (resid 11 and name h3) 1.81 .2 .2
assign (resid 16 and name n6) (resid 11 and name o4) 2.89 .2 .2
assign (resid 16 and name h2) (resid 11 and name o2) 2.94 0.2 0.2
assign (resid 16 and name n1) (resid 11 and name o4) 3.69 0.2 0.2
assign (resid 16 and name n1) (resid 11 and name o2) 3.67 0.2 0.2

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