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
	142834	2rpt	cing	1-original	1	XPLOR/CNS	distance	hydrogen bond	simple

!Hydrogen bonding restraints for TSMC 

!G1=C20

assign (resid 1 and name H1) (resid 20 and name N3) 1.89 0.2 0.2
assign (resid 1 and name N1) (resid 20 and name N3) 2.91 0.2 0.2
assign (resid 1 and name H21) (resid 20 and name O2) 2.08 0.2 0.2
assign (resid 1 and name N2) (resid 20 and name O2) 3.08 0.2 0.2 
assign (resid 1 and name O6) (resid 20 and name H41) 1.71 0.2 0.2
assign (resid 1 and name O6) (resid 20 and name N4) 2.72 0.2 0.2

!G2=C19

assign (resid 2 and name H1) (resid 19 and name N3) 1.89 0.2 0.2
assign (resid 2 and name N1) (resid 19 and name N3) 2.91 0.2 0.2
assign (resid 2 and name H21) (resid 19 and name O2) 2.08 0.2 0.2
assign (resid 2 and name N2) (resid 19 and name O2) 3.08 0.2 0.2 
assign (resid 2 and name O6) (resid 19 and name H41) 1.71 0.2 0.2
assign (resid 2 and name O6) (resid 19 and name N4) 2.72 0.2 0.2

!G18=C3

assign (resid 18 and name H1) (resid 3 and name N3) 1.89 0.2 0.2
assign (resid 18 and name N1) (resid 3 and name N3) 2.91 0.2 0.2
assign (resid 18 and name H21) (resid 3 and name O2) 2.08 0.2 0.2
assign (resid 18 and name N2) (resid 3 and name O2) 3.08 0.2 0.2 
assign (resid 16 and name O6) (resid 3 and name H41) 1.71 0.2 0.2
assign (resid 16 and name O6) (resid 3 and name N4) 2.72 0.2 0.2

!G17=C4

assign (resid 17 and name H1) (resid 4 and name N3) 1.89 0.2 0.2
assign (resid 17 and name N1) (resid 4 and name N3) 2.91 0.2 0.2
assign (resid 17 and name H21) (resid 4 and name O2) 2.08 0.2 0.2
assign (resid 17 and name N2) (resid 4 and name O2) 3.08 0.2 0.2 
assign (resid 17 and name O6) (resid 4 and name H41) 1.71 0.2 0.2
assign (resid 17 and name O6) (resid 4 and name N4) 2.72 0.2 0.2

!G6=C15

assign (resid 6 and name H1) (resid 15 and name N3) 1.89 0.2 0.2
assign (resid 6 and name N1) (resid 15 and name N3) 2.91 0.2 0.2
assign (resid 6 and name H21) (resid 15 and name O2) 2.08 0.2 0.2
assign (resid 6 and name N2) (resid 15 and name O2) 3.08 0.2 0.2 
assign (resid 6 and name O6) (resid 15 and name H41) 1.71 0.2 0.2
assign (resid 6 and name O6) (resid 15 and name N4) 2.72 0.2 0.2

!G14=C7

assign (resid 14 and name H1) (resid 7 and name N3) 1.89 0.2 0.2
assign (resid 14 and name N1) (resid 7 and name N3) 2.91 0.2 0.2
assign (resid 14 and name H21) (resid 7 and name O2) 2.08 0.2 0.2
assign (resid 14 and name N2) (resid 7 and name O2) 3.08 0.2 0.2 
assign (resid 14 and name O6) (resid 7 and name H41) 1.71 0.2 0.2
assign (resid 14 and name O6) (resid 7 and name N4) 2.72 0.2 0.2

!G13=C8

assign (resid 13 and name H1) (resid 8 and name N3) 1.89 0.2 0.2
assign (resid 13 and name N1) (resid 8 and name N3) 2.91 0.2 0.2
assign (resid 13 and name H21) (resid 8 and name O2) 2.08 0.2 0.2
assign (resid 13 and name N2) (resid 8 and name O2) 3.08 0.2 0.2 
assign (resid 13 and name O6) (resid 8 and name H41) 1.71 0.2 0.2
assign (resid 13 and name O6) (resid 8 and name N4) 2.72 0.2 0.2

!Hydrogen bonds for the GNRA tetraloop (based on Pardi's paper)
!related to the 1ZIF.pdb structure
!Jucker et al.  A Network of Heterogeneous Hydrogen Bonds in GNRA
!Tetraloops.  JMB.  1996.  264:  968-980.

assign (resid 9 and name H22) (resid 12 and name N7) 3.15 0.2 0.2
assign (resid 9 and name N2) (resid 12 and name N7) 3.83 0.2 0.2
assign (resid 9 and name N3) (resid 12 and name H62) 4.04 0.2 0.2
assign (resid 9 and name N3) (resid 12 and name N6) 4.90 0.2 0.2
assign (resid 9 and name O2') (resid 12 and name N6) 3.87 0.2 0.2
assign (resid 9 and name O2') (resid 11 and name N6) 2.63 0.3 0.3

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