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
	27460	2rmz	cing	1-original	3	XPLOR/CNS	distance	hydrogen bond	simple

!Ser
! i-i-3 Oy to O' 2.6 to 3.4 A, Chi1=+60
! or i-i-4 Oy to O' 2.6 to 3.4 A, Chi1=-60
! incorporate distance to H to get OH geometry right (O-H distance 0.96 A)

assign (resid   15 and name HG  ) (resid 11 and name O   )   1.8  0.2 0.6 ! i-i-4 implemented Ser H-bond
!assign (resid   15 and name HG  ) (resid 12 and name O   )   1.8  0.2 0.6 ! Ser H-bond

! Thr
! i-i-4 Oy to O' 2.6 to 3.4 A, Chi1=-60 (only possibility)
! incorporate distance to H to get OH geometry right (O-H distance 0.96 A)
assign (resid   36 and name HG1  ) (resid 32 and name O   )   1.8  0.2 0.6 ! i-i-4 implemented H-bond

! His
! ND1 to CO(i-4) 2.2 A, Chi1=-60, Chi2=+60
assign (resid   38 and name ND1  ) (resid 34 and name O   )   2.2  0.2 0.6 ! i-i-4 implemented H-bond, note no HD1 is psf

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