NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	stage	position	program	type
	26256	2kgp	cing	1-original	4	XPLOR/CNS	planarity

! A-U base-pair minor weight=30 and G-C base-pair minor weight=50
! A-U base-pair srong weight=50 and G-C base-pair strong weight=80
! first G7-C20, U8-A19 and G9-C18 using srong weight A10-U17 using minor weight (no h2o noe)
! and U6-A21 and C3-G23 using minor weight
! A10-U17 WC
!--------------------------------------------------------------------
 group
  select= ((resid 10 and (name N1 or name C2 or name C6)) or
                (resid 17 and (name N3)))
  weight=50
 end

 group
  select= ((resid 10 and (name N1)) or
                (resid 17 and (name N3 or name C2 or name C4)))
  weight=50
 end

! G9-C18 WC
!--------------------------------------------------------------------
 group
  select= ((resid 9 and (name N1 or name C6 or name C2)) or
                (resid 18 and (name N3)))
  weight=80
 end

 group
  select= ((resid 9 and (name N1)) or
                (resid 18 and (name N3 or name C2 or name C4)))
  weight=80
 end

! U8-A19 WC
!--------------------------------------------------------------------
 group
  select= ((resid 19 and (name N1)) or
                (resid 8 and (name N3 or name C2 or name C4)))
  weight=50
 end

 group
  select= ((resid 19 and (name N1 or name C2 or name C6)) or
                (resid 8 and (name N3)))
  weight=50
 end

! G7-C20 WC
!--------------------------------------------------------------------
 group
  select= ((resid 7 and (name N1 or name C6 or name C2)) or
                (resid 20 and (name N3)))
  weight=80
 end

 group
  select= ((resid 7 and (name N1)) or
                (resid 20 and (name N3 or name C2 or name C4)))
  weight=80
 end

! U6-A21 WC
!--------------------------------------------------------------------
 group
  select= ((resid 21 and (name N1)) or
                (resid 6 and (name N3 or name C2 or name C4)))
  weight=50
 end

 group
  select= ((resid 21 and (name N1 or name C2 or name C6)) or
                (resid 6 and (name N3)))
  weight=50
 end

! G5-C22 WC
!--------------------------------------------------------------------
 group
  select= ((resid 5 and (name N1 or name C6 or name C2)) or
                (resid 22 and (name N3)))
  weight=80
 end

 group
  select= ((resid 5 and (name N1)) or
                (resid 22 and (name N3 or name C2 or name C4)))
  weight=80
 end

! C3-G23 WC
!--------------------------------------------------------------------
 group
  select= ((resid 23 and (name N1 or name C6 or name C2)) or
                (resid 3 and (name N3)))
  weight=80
 end

 group
  select= ((resid 23 and (name N1)) or
                (resid 3 and (name N3 or name C2 or name C4)))
  weight=80
 end
!G2-U24 additional restraints to keep the terminal
!--------------------------------------------------------------------
 group
  select= ((resid 2 and (name N1 or name C6 or name C2)) or
              (resid 24 and (name N3)))
  weight=50.0
 end

group
  select= ((resid 2 and (name N1)) or
              (resid 24 and (name N3 or name C2 or name C4)))
  weight=50.0
 end

! C25-G1 WC additional restraints to keep the terminal
!--------------------------------------------------------------------
 group
  select= ((resid 1 and (name N1 or name C6 or name C2)) or
                (resid 25 and (name N3)))
  weight=20
 end

 group
  select= ((resid 1 and (name N1)) or
                (resid 25 and (name N3 or name C2 or name C4)))
  weight=20
 end
end

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