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
	6993	1jur	cing	1-original	3	XPLOR/CNS	distance	hydrogen bond	simple

!define base pairs

!help define the sheared GA of GNRA.

assign ( resid 9 and name H21) (resid 12 and name N7)  4.0  2.4  1.5
assign ( resid 9 and name N3) (resid 12 and name H61)  4.0  2.4  1.5

!for G1-C22 base pair
assign (resid 1 and name N1) (resid 22 and name N3)     2.91 0.1 0.1
assign (resid 1 and name O6) (resid 22 and name N4)     2.71 0.1 0.1
assign (resid 1 and name N2) (resid 22 and name O2)     3.08 0.1 0.1
assign (resid 1 and name H1) (resid 22 and name N3)     1.89 0.1 0.1
assign (resid 1 and name O6) (resid 22 and name H42)    1.71 0.1 0.1
assign (resid 1 and name H22) (resid 22 and name O2)    2.08 0.1 0.1

!for G2-C21 base pair
assign (resid 2 and name N1) (resid 21 and name N3)     2.91 0.1 0.1
assign (resid 2 and name O6) (resid 21 and name N4)     2.71 0.1 0.1
assign (resid 2 and name N2) (resid 21 and name O2)     3.08 0.1 0.1
assign (resid 2 and name H1) (resid 21 and name N3)     1.89 0.1 0.1
assign (resid 2 and name O6) (resid 21 and name H42)    1.71 0.1 0.1
assign (resid 2 and name H22) (resid 21 and name O2)    2.08 0.1 0.1

!for G20-C3 base pair
assign (resid 20 and name N1) (resid 3 and name N3)     2.91 0.1 0.1
assign (resid 20 and name O6) (resid 3 and name N4)     2.71 0.1 0.1
assign (resid 20 and name N2) (resid 3 and name O2)     3.08 0.1 0.1
assign (resid 20 and name H1) (resid 3 and name N3)     1.89 0.1 0.1
assign (resid 20 and name O6) (resid 3 and name H42)    1.71 0.1 0.1
assign (resid 20 and name H22) (resid 3 and name O2)    2.08 0.1 0.1

!for C4-G17 base pair
assign (resid 17 and name N1) (resid 4 and name N3)     2.91 0.1 0.1
assign (resid 17 and name O6) (resid 4 and name N4)     2.71 0.1 0.1
assign (resid 17 and name N2) (resid 4 and name O2)     3.08 0.1 0.1
assign (resid 17 and name H1) (resid 4 and name N3)     1.89 0.1 0.1
assign (resid 17 and name O6) (resid 4 and name H42)    1.71 0.1 0.1
assign (resid 17 and name H22) (resid 4 and name O2)    2.08 0.1 0.1

!for G6-C15 base pair
assign (resid 6 and name N1) (resid 15 and name N3)     2.91 0.1 0.1
assign (resid 6 and name O6) (resid 15 and name N4)     2.71 0.1 0.1
assign (resid 6 and name N2) (resid 15 and name O2)     3.08 0.1 0.1
assign (resid 6 and name H1) (resid 15 and name N3)     1.89 0.1 0.1
assign (resid 6 and name O6) (resid 15 and name H42)    1.71 0.1 0.1
assign (resid 6 and name H22) (resid 15 and name O2)    2.08 0.1 0.1

!for G8-C13 base pair
assign (resid 8 and name N1) (resid 13 and name N3)     2.91 0.1 0.1
assign (resid 8 and name O6) (resid 13 and name N4)     2.71 0.1 0.1
assign (resid 8 and name N2) (resid 13 and name O2)     3.08 0.1 0.1
assign (resid 8 and name H1) (resid 13 and name N3)     1.89 0.1 0.1
assign (resid 8 and name O6) (resid 13 and name H42)    1.71 0.1 0.1
assign (resid 8 and name H22) (resid 13 and name O2)    2.08 0.1 0.1


!for A16-U5 base pair
assign (resid 16 and name N1) (resid 5 and name H3)     1.93 0.1 0.1
assign (resid 16 and name H62) (resid 5 and name O4)    1.82 0.1 0.1
assign (resid 16 and name N1) (resid 5 and name N3)     2.95 0.1 0.1
assign (resid 16 and name N6) (resid 5 and name O4)     2.83 0.1 0.1

!for A7-U14 base pair
assign (resid 7 and name N1) (resid 14 and name H3)     1.93 0.1 0.1
assign (resid 7 and name H62) (resid 14 and name O4)    1.82 0.1 0.1
assign (resid 7 and name N1) (resid 14 and name N3)     2.95 0.1 0.1
assign (resid 7 and name N6) (resid 14 and name O4)     2.83 0.1 0.1

!to make tetraloop work (base pairing distances)
assign (resid 9 and name N3) (resid 12 and name H62)    2.0  0.5 0.7
assign (resid 9 and name N3) (resid 12 and name N6)     3.0 0.5 0.7 
assign (resid 9 and name H21) (resid 12 and name N7)    2.0  0.5 0.7
assign (resid 9 and name N2) (resid 12 and name N7)     3.0 0.5 0.7

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