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
	12956	1tum	cing	1-original	3	XPLOR/CNS	distance	general distance	simple

!*************** second metal (enzyme bound)******************
!by Co2+ and Mn2+ titrations
assign (resid 131 and name mg ) (resid 57 and name oe2 ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 56 and name oe1 ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 98 and name oe2 ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 38 and name o  ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 38 and name nh  ) 3.5 0.0 2.5
assign (resid 131 and name mg ) (resid 39 and name nh  ) 3.5 0.0 2.5
!by paramagnetic effects on 31P T1
assign (resid 131 and name mg ) (resid 130 and name p  ) 3.8 0.0 4.2
assign (resid 131 and name mg ) (resid 130 and name p2 ) 3.1 0.0 3.5
assign (resid 131 and name mg ) (resid 130 and name p3 ) 3.0 0.0 3.3
!these distances are to keep octahedral geometry of Mg2+
assign (resid 57 and name oe2 ) (resid 56 and name oe1 ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 98 and name oe2 ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 38 and name o  ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 131 and name o1  ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 131 and name o2  ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 98 and name oe2 ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 38 and name o  ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 131 and name o1 ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 131 and name o2 ) 3.0 0.0 0.8
assign (resid 98 and name oe2 ) (resid 38 and name o  ) 3.0 0.0 1.5
assign (resid 98 and name oe2 ) (resid 131 and name o1 ) 3.0 0.0 1.5
assign (resid 98 and name oe2 ) (resid 131 and name o2 ) 3.0 0.0 1.5

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