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
	12401	1sxe	5399	cing	1-original	1	XPLOR/CNS	dihedral angle

 !chi1_dihedral from long range cg-n, cg-co
!Valines -- Val21 has complete rotamer averaging, Val43 is between -60/180
assign ( resid 23 and name N ) ( resid 23 and name CA )
       ( resid 23 and name CB ) ( resid 23 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 35 and name N ) ( resid 35 and name CA )
       ( resid 35 and name CB ) ( resid 35 and name CG1 ) 1.000 180.000 30.000 2 !CHI1
assign ( resid 50 and name N ) ( resid 50 and name CA )
       ( resid 50 and name CB ) ( resid 50 and name CG1 ) 1.000 180.000 30.000 2 !CHI1
!Threonines -- Thr15,16,76 probably 60, Thr94 complete rotamer averaging
assign ( resid 28 and name N ) ( resid 28 and name CA )
       ( resid 28 and name CB ) ( resid 28 and name OG1 ) 1.000 60.000 30.000 2 !CHI1
assign ( resid 32 and name N ) ( resid 32 and name CA )
       ( resid 32 and name CB ) ( resid 32 and name OG1 ) 1.000 60.000 30.000 2 !CHI1
assign ( resid 68 and name N ) ( resid 68 and name CA )
       ( resid 68 and name CB ) ( resid 68 and name OG1 ) 1.000 60.000 30.000 2 !CHI1
!Isoleucines -- Ile22,53 rotamer averaging
assign ( resid 59 and name N ) ( resid 59 and name CA )
       ( resid 59 and name CB ) ( resid 59 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
assign ( resid 83 and name N ) ( resid 83 and name CA )
       ( resid 83 and name CB ) ( resid 83 and name CG1 ) 1.000 -60.000 30.000 2 !CHI1
!

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