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

567620 2mco 19448 cing 1-original 4 XPLOR/CNS dihedral angle
restraints dihedral reset  !all angles are -1*values in DD ligand
 assign (resid 23 and name  C69) (resid 23 and name  N15)
        (resid 23 and name  Ru3) (resid 23 and name N21)   1.0 90.0 15.0 2 !start of ligand dihedrals
 assign (resid 23 and name  C65) (resid 23 and name  N15)
       (resid 23 and name  Ru3) (resid 23 and name N21)   1.0 -90.0 15.0 2
 assign (resid 23 and name  N15) (resid 23 and name  Ru3)
        (resid 23 and name N21) (resid 23 and name C87)   1.0 -80.0 15.0 2
 assign (resid 23 and name  N15) (resid 23 and name  Ru3)
        (resid 23 and name N21) (resid 23 and name C91)   1.0 100.0 15.0 2
 assign (resid 23 and name  C71) (resid 23 and name N17)
        (resid 23 and name Ru3) (resid 23 and name N21)   1.0 90.0 15.0 2
 assign (resid 23 and name  C75) (resid 23 and name N17)
        (resid 23 and name Ru3) (resid 23 and name N21)   1.0 -90.0 15.0 2
 assign (resid 23 and name  N17) (resid 23 and name Ru3)
        (resid 23 and name N21) (resid 23 and name C87)   1.0 0.0 15.0 2
 assign (resid 23 and name  N17) (resid 23 and name Ru3)
        (resid 23 and name N21) (resid 23 and name C91)   1.0 180.0 15.0 2
 assign (resid 23 and name  C69) (resid 23 and name  N15)
        (resid 23 and name  Ru3) (resid 23 and name N20)   1.0 -90.0 15.0 2
 assign (resid 23 and name  C65) (resid 23 and name  N15)
        (resid 23 and name  Ru3) (resid 23 and name N20)   1.0 90.0 15.0 2
 assign (resid 23 and name  N15) (resid 23 and name  Ru3)
        (resid 23 and name N20) (resid 23 and name C82)   1.0 0.0 15.0 2
 assign (resid 23 and name  N15) (resid 23 and name  Ru3)
        (resid 23 and name N20) (resid 23 and name C86)   1.0 180.0 15.0 2
 assign (resid 23 and name  C71) (resid 23 and name N17)
        (resid 23 and name Ru3) (resid 23 and name N20)   1.0 -80.0 15.0 2
 assign (resid 23 and name  C75) (resid 23 and name N17)
        (resid 23 and name Ru3) (resid 23 and name N20)   1.0 100.0 15.0 2
 assign (resid 23 and name  N17) (resid 23 and name Ru3)
        (resid 23 and name N20) (resid 23 and name C82)   1.0 -80.0 15.0 2
 assign (resid 23 and name  N17) (resid 23 and name Ru3)
        (resid 23 and name N20) (resid 23 and name C86)   1.0 100.0 15.0 2 ! end of left side, ring dihedrals
 assign (resid 23 and name  N22) (resid 23 and name Ru3)
        (resid 23 and name N19) (resid 23 and name C77)   1.0 -80.0 15.0 2! left side, dipy rings
 assign (resid 23 and name  N22) (resid 23 and name Ru3)
        (resid 23 and name N19) (resid 23 and name C81)   1.0 100.0 15.0 2
 assign (resid 23 and name  C92) (resid 23 and name N22)
        (resid 23 and name Ru3) (resid 23 and name N19)   1.0 -90.0 15.0 2
 assign (resid 23 and name  C96) (resid 23 and name N22)
        (resid 23 and name Ru3) (resid 23 and name N19)   1.0 90.0 15.0 2
 assign (resid 23 and name  C103) (resid 23 and name N24)
        (resid 23 and name Ru4) (resid 23 and name N28)   1.0 -90.0 15.0 2! now the same again for the right side
 assign (resid 23 and name  C107) (resid 23 and name N24)
        (resid 23 and name Ru4) (resid 23 and name N28)   1.0 90.0 15.0 2
 assign (resid 23 and name  N24) (resid 23 and name Ru4)
        (resid 23 and name N28) (resid 23 and name C124)   1.0 -80.0 15.0 2
 assign (resid 23 and name  N24) (resid 23 and name Ru4)
        (resid 23 and name N28) (resid 23 and name C128)   1.0 100.0 15.0 2
 assign (resid 23 and name  C97) (resid 23 and name N23)
        (resid 23 and name Ru4) (resid 23 and name N28)   1.0 90.0 15.0 2
 assign (resid 23 and name  C101) (resid 23 and name N23)
        (resid 23 and name Ru4) (resid 23 and name N28)   1.0 -90.0 15.0 2
 assign (resid 23 and name  N23) (resid 23 and name Ru4)
        (resid 23 and name N28) (resid 23 and name C124)   1.0 0.0 15.0 2 
 assign (resid 23 and name  N23) (resid 23 and name Ru4)
        (resid 23 and name N28) (resid 23 and name C128)   1.0 180.0 15.0 2
 assign (resid 23 and name  C103) (resid 23 and name N24)
        (resid 23 and name Ru4) (resid 23 and name N26)   1.0 80.0 15.0 2
 assign (resid 23 and name  C107) (resid 23 and name N24)
        (resid 23 and name Ru4) (resid 23 and name N26)   1.0 -100.0 15.0 2
 assign (resid 23 and name  N24) (resid 23 and name Ru4)
        (resid 23 and name N26) (resid 23 and name C114)   1.0 0.0 15.0 2
 assign (resid 23 and name  N24) (resid 23 and name Ru4)
        (resid 23 and name N26) (resid 23 and name C118)   1.0 180.0 15.0 2
 assign (resid 23 and name  C97) (resid 23 and name N23)
        (resid 23 and name Ru4) (resid 23 and name N26)   1.0 -90.0 15.0 2
 assign (resid 23 and name  C101) (resid 23 and name N23)
        (resid 23 and name Ru4) (resid 23 and name N26)   1.0 90.0 15.0 2
 assign (resid 23 and name  N23) (resid 23 and name Ru4)
        (resid 23 and name N26) (resid 23 and name C114)   1.0 -90.0 15.0 2
 assign (resid 23 and name  N23) (resid 23 and name Ru4)
        (resid 23 and name N26) (resid 23 and name C118)   1.0 90.0 15.0 2! end of right side, ring dihedrals
 assign (resid 23 and name  N25) (resid 23 and name Ru4)
        (resid 23 and name N27) (resid 23 and name C119)   1.0 -80.0 15.0 2! right side, dipy rings
 assign (resid 23 and name  N25) (resid 23 and name Ru4)
        (resid 23 and name N27) (resid 23 and name C123)   1.0 100.0 15.0 2
 assign (resid 23 and name  C109) (resid 23 and name N25)
        (resid 23 and name Ru4) (resid 23 and name N27)   1.0 -90.0 15.0 2
 assign (resid 23 and name  C113) (resid 23 and name N25)
        (resid 23 and name Ru4) (resid 23 and name N27)   1.0 90.0 15.0 2
end
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	567620	2mco	19448	cing	1-original	4	XPLOR/CNS	dihedral angle