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
	649424	6pk9	30622	cing	1-original	2	XPLOR/CNS	planarity

!Planarity restraints
! G1-C20 WC
!--------------------------------------------------------------------
 group
  select= ((resid 1 and (name N1 or name C6 or name C2)) or
		(resid 20 and (name N3)))
  weight=80 
 end

 group
  select= ((resid 1 and (name N1)) or
                (resid 20 and (name N3 or name C2 or name C4)))
  weight=80
 end

! G2-C19 WC
!--------------------------------------------------------------------
 group
  select= ((resid 2 and (name N1 or name C6 or name C2)) or
		(resid 19 and (name N3)))
  weight=80 
 end

 group
  select= ((resid 2 and (name N1)) or
                (resid 19 and (name N3 or name C2 or name C4)))
  weight=80
 end

! A3-U18 WC
!--------------------------------------------------------------------
 group
  select= ((resid 3 and (name N1 or name C2 or name C6)) or
		(resid 18 and (name N3)))
  weight=80 
 end

 group
  select= ((resid 3 and (name N1)) or
                (resid 18 and (name N3 or name C2 or name C4)))
  weight=80
 end

! G4-C17 WC
!--------------------------------------------------------------------
 group
  select= ((resid 4 and (name N1 or name C6 or name C2)) or
		(resid 17 and (name N3)))
  weight=80 
 end   

 group
  select= ((resid 4 and (name N1)) or
                (resid 17 and (name N3 or name C2 or name C4)))
  weight=80
 end

! G5-U16 Wobb
!--------------------------------------------------------------------
 group
  select= ((resid 5 and (name N1 or name C6 or name C2)) or
		(resid 16 and (name N3)))
  weight=80 
 end   

 group
  select= ((resid 5 and (name N1)) or
                (resid 16 and (name N3 or name C2 or name C4)))
  weight=80
 end

! G6-C15 WC
!--------------------------------------------------------------------
 group
  select= ((resid 6 and (name N1 or name C6 or name C2)) or
		(resid 15 and (name N3)))
  weight=80 
 end

 group
  select= ((resid 6 and (name N1)) or
                (resid 15 and (name N3 or name C2 or name C4)))
  weight=80
 end

! U7-G14 Wobb
!--------------------------------------------------------------------
 group
  select= ((resid 14 and (name N1 or name C6 or name C2)) or
		(resid 7 and (name N3)))
  weight=80 
 end   

 group
  select= ((resid 14 and (name N1)) or
                (resid 7 and (name N3 or name C2 or name C4)))
  weight=80
 end
# Restraints file 3: D_1000241105_mr_P1.xplor-nih.V1
!
!  Torsion angle restraints for sugar pucker in the 
!	- LINKA
!			
!
!  Pucker is defined with ribose torsion angles nu1 and nu2.
!		nu1 = O4'-C1'-C2'-C3'
!		nu2 = C1'-C2'-C3'-C4'
!	"N" C3' endo:
!		nu1 = -20 +/- 10
!		nu2 = +35 +/-  5
!	"S" C2' endo:
!		nu1 = +35 +/-  10
!		nu2 = -35 +/-  5
!	See Saenger page 20.
!
!  C2' endo nucleotides (Judging from TOCSY): only if both H1'-H2'' and
!      H1'-H3' couplings both are strong (intensity of H1'-H3' even larger)


!  Xhi is defined as follows...
!        Purines    = O4'-C1'-N9-C4
!        pyrimidine = O4'-C1'-N1-C2
!   Anti:
!          Xhi = 180.0 +/- 90.0
!       including high-anti and excluding high-syn :
!          Xhi = =-150 +/- 90.0
!   Syn:   Xhi =    0.0 +/- 90.0
!       See Saenger page 22.



!3' endo!

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