NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
635877 |
6j2w   |
cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
# Restraints file 1: dihed_926.tbl
:q
!
! Torsion angle restraints for sugar pucker in the
! GZ33 - Theophylline RNA complex
! GRZ 09/17/96
!
! 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 +/- 5
! nu2 = -35 +/- 5
! See Saenger page 20.
!
! C2' endo nucleotides:
!gama
assign
(resid 2 and name o5' )
(resid 2 and name c5' )
(resid 2 and name c4' )
(resid 2 and name c3' ) 1 50 30 2
assign
(resid 3 and name o5' )
(resid 3 and name c5' )
(resid 3 and name c4' )
(resid 3 and name c3' ) 1 50 30 2
assign
(resid 4 and name o5' )
(resid 4 and name c5' )
(resid 4 and name c4' )
(resid 4 and name c3' ) 1 50 30 2
assign
(resid 5 and name o5' )
(resid 5 and name c5' )
(resid 5 and name c4' )
(resid 5 and name c3' ) 1 50 30 2
assign
(resid 6 and name o5' )
(resid 6 and name c5' )
(resid 6 and name c4' )
(resid 6 and name c3' ) 1 50 30 2
assign
(resid 8 and name o5' )
(resid 8 and name c5' )
(resid 8 and name c4' )
(resid 8 and name c3' ) 1 50 30 2
assign
(resid 10 and name o5' )
(resid 10 and name c5' )
(resid 10 and name c4' )
(resid 10 and name c3' ) 1 50 30 2
assign
(resid 11 and name o5' )
(resid 11 and name c5' )
(resid 11 and name c4' )
(resid 11 and name c3' ) 1 50 30 2
assign
(resid 13 and name o5' )
(resid 13 and name c5' )
(resid 13 and name c4' )
(resid 13 and name c3' ) 1 50 30 2
assign
(resid 14 and name o5' )
(resid 14 and name c5' )
(resid 14 and name c4' )
(resid 14 and name c3' ) 1 50 30 2
assign
(resid 15 and name o5' )
(resid 15 and name c5' )
(resid 15 and name c4' )
(resid 15 and name c3' ) 1 180 40 2
assign
(resid 16 and name o5' )
(resid 16 and name c5' )
(resid 16 and name c4' )
(resid 16 and name c3' ) 1 50 30 2
assign
(resid 17 and name o5' )
(resid 17 and name c5' )
(resid 17 and name c4' )
(resid 17 and name c3' ) 1 50 30 2
assign
(resid 18 and name o5' )
(resid 18 and name c5' )
(resid 18 and name c4' )
(resid 18 and name c3' ) 1 50 30 2
assign
(resid 19 and name o5' )
(resid 19 and name c5' )
(resid 19 and name c4' )
(resid 19 and name c3' ) 1 50 30 2
!E
assign
(resid 1 and name C4' )
(resid 1 and name C3' )
(resid 1 and name O3' )
(resid 2 and name P ) 1 240 145 2
assign
(resid 4 and name C4' )
(resid 4 and name C3' )
(resid 4 and name O3' )
(resid 5 and name P ) 1 240 145 2
assign
(resid 5 and name C4' )
(resid 5 and name C3' )
(resid 5 and name O3' )
(resid 6 and name P ) 1 60 40 2
assign
(resid 6 and name C4' )
(resid 6 and name C3' )
(resid 6 and name O3' )
(resid 7 and name P ) 1 240 145 2
assign
(resid 7 and name C4' )
(resid 7 and name C3' )
(resid 7 and name O3' )
(resid 8 and name P ) 1 240 145 2
assign
(resid 8 and name C4' )
(resid 8 and name C3' )
(resid 8 and name O3' )
(resid 9 and name P ) 1 240 145 2
assign
(resid 9 and name C4' )
(resid 9 and name C3' )
(resid 9 and name O3' )
(resid 10 and name P ) 1 240 145 2
assign
(resid 10 and name C4' )
(resid 10 and name C3' )
(resid 10 and name O3' )
(resid 11 and name P ) 1 240 145 2
assign
(resid 11 and name C4' )
(resid 11 and name C3' )
(resid 11 and name O3' )
(resid 12 and name P ) 1 60 40 2
assign
(resid 12 and name C4' )
(resid 12 and name C3' )
(resid 12 and name O3' )
(resid 13 and name P ) 1 240 145 2
assign
(resid 13 and name C4' )
(resid 13 and name C3' )
(resid 13 and name O3' )
(resid 14 and name P ) 1 240 145 2
assign
(resid 14 and name C4' )
(resid 14 and name C3' )
(resid 14 and name O3' )
(resid 15 and name P ) 1 240 145 2
assign
(resid 15 and name C4' )
(resid 15 and name C3' )
(resid 15 and name O3' )
(resid 16 and name P ) 1 60 40 2
assign
(resid 16 and name C4' )
(resid 16 and name C3' )
(resid 16 and name O3' )
(resid 17 and name P ) 1 60 40 2
!backbone angle BETA
assign
(resid 2 and name p )
(resid 2 and name o5' )
(resid 2 and name c5' )
(resid 2 and name c4' ) 1 180 60 2
assign
(resid 4 and name p )
(resid 4 and name o5' )
(resid 4 and name c5' )
(resid 4 and name c4' ) 1 180 60 2
assign
(resid 5 and name p )
(resid 5 and name o5' )
(resid 5 and name c5' )
(resid 5 and name c4' ) 1 180 60 2
assign
(resid 6 and name p )
(resid 6 and name o5' )
(resid 6 and name c5' )
(resid 6 and name c4' ) 1 180 60 2
assign
(resid 7 and name p )
(resid 7 and name o5' )
(resid 7 and name c5' )
(resid 7 and name c4' ) 1 180 60 2
assign
(resid 8 and name p )
(resid 8 and name o5' )
(resid 8 and name c5' )
(resid 8 and name c4' ) 1 180 60 2
assign
(resid 9 and name p )
(resid 9 and name o5' )
(resid 9 and name c5' )
(resid 9 and name c4' ) 1 60 40 2
assign
(resid 10 and name p )
(resid 10 and name o5' )
(resid 10 and name c5' )
(resid 10 and name c4' ) 1 180 60 2
assign
(resid 11 and name p )
(resid 11 and name o5' )
(resid 11 and name c5' )
(resid 11 and name c4' ) 1 180 60 2
assign
(resid 12 and name p )
(resid 12 and name o5' )
(resid 12 and name c5' )
(resid 12 and name c4' ) 1 60 40 2
assign
(resid 13 and name p )
(resid 13 and name o5' )
(resid 13 and name c5' )
(resid 13 and name c4' ) 1 180 60 2
assign
(resid 14 and name p )
(resid 14 and name o5' )
(resid 14 and name c5' )
(resid 14 and name c4' ) 1 180 60 2
assign
(resid 15 and name p )
(resid 15 and name o5' )
(resid 15 and name c5' )
(resid 15 and name c4' ) 1 180 60 2
assign
(resid 16 and name p )
(resid 16 and name o5' )
(resid 16 and name c5' )
(resid 16 and name c4' ) 1 180 60 2
assign
(resid 17 and name p )
(resid 17 and name o5' )
(resid 17 and name c5' )
(resid 17 and name c4' ) 1 180 60 2
assign
(resid 18 and name p )
(resid 18 and name o5' )
(resid 18 and name c5' )
(resid 18 and name c4' ) 1 180 60 2
assign
(resid 19 and name p )
(resid 19 and name o5' )
(resid 19 and name c5' )
(resid 19 and name c4' ) 1 180 60 2
!sugar pucker
!C1 C2'-ENDO
assign (resid 1 and name O4')
(resid 1 and name C1')
(resid 1 and name C2')
(resid 1 and name C3') 1.0 35 15 2
assign (resid 1 and name C1')
(resid 1 and name C2')
(resid 1 and name C3')
(resid 1 and name C4') 1.0 -35 15 2
!G2 C2'-ENDO
assign (resid 2 and name O4')
(resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3') 1.0 35 15 2
assign (resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3')
(resid 2 and name C4') 1.0 -35 15 2
!G3 C2'-ENDO
assign (resid 3 and name O4')
(resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3') 1.0 35 15 2
assign (resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3')
(resid 3 and name C4') 1.0 -35 15 2
!!G4 C2'-ENDO
assign (resid 4 and name O4')
(resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3') 1.0 35 15 2
assign (resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3')
(resid 4 and name C4') 1.0 -35 15 2
!G5 C3'-ENDO
assign (resid 5 and name O4')
(resid 5 and name C1')
(resid 5 and name C2')
(resid 5 and name C3') 1.0 -20 15 2
assign (resid 5 and name C1')
(resid 5 and name C2')
(resid 5 and name C3')
(resid 5 and name C4') 1.0 35 15 2
!C6 C2'-ENDO
assign (resid 6 and name O4')
(resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3') 1.0 35 15 2
assign (resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3')
(resid 6 and name C4') 1.0 -35 15 2
!G7 C2'-ENDO
assign (resid 7 and name O4')
(resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3') 1.0 35 15 2
assign (resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3')
(resid 7 and name C4') 1.0 -35 15 2
!A8 C2'-ENDO
assign (resid 8 and name O4')
(resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3') 1.0 35 15 2
assign (resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3')
(resid 8 and name C4') 1.0 -35 15 2
!A9 C2'-ENDO
assign (resid 9 and name O4')
(resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name C3') 1.0 35 15 2
assign (resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name C3')
(resid 9 and name C4') 1.0 -35 15 2
!!G10 C1'-EXO
assign (resid 10 and name O4')
(resid 10 and name C1')
(resid 10 and name C2')
(resid 10 and name C3') 1.0 30 15 2
assign (resid 10 and name C1')
(resid 10 and name C2')
(resid 10 and name C3')
(resid 10 and name C4') 1.0 -20 15 2
!C11 C2'-ENDO
assign (resid 11 and name O4')
(resid 11 and name C1')
(resid 11 and name C2')
(resid 11 and name C3') 1.0 35 20 2
assign (resid 11 and name C1')
(resid 11 and name C2')
(resid 11 and name C3')
(resid 11 and name C4') 1.0 -20 30 2
!G12 C2'-ENDO
assign (resid 12 and name O4')
(resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name C3') 1.0 35 15 2
assign (resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name C3')
(resid 12 and name C4') 1.0 -35 15 2
!G13 C2'-ENDO
assign (resid 13 and name O4')
(resid 13 and name C1')
(resid 13 and name C2')
(resid 13 and name C3') 1.0 35 15 2
assign (resid 13 and name C1')
(resid 13 and name C2')
(resid 13 and name C3')
(resid 13 and name C4') 1.0 -35 15 2
!G14 C2'-ENDO
assign (resid 14 and name O4')
(resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3') 1.0 35 15 2
assign (resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3')
(resid 14 and name C4') 1.0 -35 15 2
!T15 C2'-ENDO
assign (resid 15 and name O4')
(resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3') 1.0 0 35 2
assign (resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3')
(resid 15 and name C4') 1.0 -25 30 2
!C16 C3'-ENDO
assign (resid 16 and name O4')
(resid 16 and name C1')
(resid 16 and name C2')
(resid 16 and name C3') 1.0 -20 15 2
assign (resid 16 and name C1')
(resid 16 and name C2')
(resid 16 and name C3')
(resid 16 and name C4') 1.0 35 15 2
!C17 O1'-ENDO
assign (resid 17 and name O4')
(resid 17 and name C1')
(resid 17 and name C2')
(resid 17 and name C3') 1.0 20 15 2
assign (resid 17 and name C1')
(resid 17 and name C2')
(resid 17 and name C3')
(resid 17 and name C4') 1.0 0 25 2
!C18 C1'-EXO
assign (resid 18 and name O4')
(resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3') 1.0 35 15 2
assign (resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3')
(resid 18 and name C4') 1.0 -20 15 2
!G19 C1'-EXO
assign (resid 19 and name O4')
(resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3') 1.0 35 15 2
assign (resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3')
(resid 19 and name C4') 1.0 -20 15 2
!
assign (resid 1 and name O4')
(resid 1 and name C1')
(resid 1 and name N1)
(resid 1 and name C2) 1.0 240 30 2
assign (resid 2 and name O4')
(resid 2 and name C1')
(resid 2 and name N9)
(resid 2 and name C4) 1.0 240 30 2
assign (resid 3 and name O4')
(resid 3 and name C1')
(resid 3 and name N9)
(resid 3 and name C4) 1.0 240 30 2
assign (resid 4 and name O4')
(resid 4 and name C1')
(resid 4 and name N9)
(resid 4 and name C4) 1.0 240 30 2
assign (resid 5 and name O4')
(resid 5 and name C1')
(resid 5 and name N9)
(resid 5 and name C4) 1.0 240 30 2
assign (resid 6 and name O4')
(resid 6 and name C1')
(resid 6 and name N1)
(resid 6 and name C2) 1.0 240 30 2
assign (resid 7 and name O4')
(resid 7 and name C1')
(resid 7 and name N9)
(resid 7 and name C4) 1.0 240 30 2
assign (resid 8 and name O4')
(resid 8 and name C1')
(resid 8 and name N9)
(resid 8 and name C4) 1.0 240 30 2
assign (resid 9 and name O4')
(resid 9 and name C1')
(resid 9 and name N9)
(resid 9 and name C4) 1.0 240 30 2
assign (resid 10 and name O4')
(resid 10 and name C1')
(resid 10 and name N9)
(resid 10 and name C4) 1.0 240 30 2
assign (resid 11 and name O4')
(resid 11 and name C1')
(resid 11 and name N1)
(resid 11 and name C2) 1.0 240 30 2
assign (resid 12 and name O4')
(resid 12 and name C1')
(resid 12 and name N9)
(resid 12 and name C4) 1.0 240 30 2
assign (resid 13 and name O4')
(resid 13 and name C1')
(resid 13 and name N9)
(resid 13 and name C4) 1.0 240 30 2
assign (resid 14 and name O4')
(resid 14 and name C1')
(resid 14 and name N9)
(resid 14 and name C4) 1.0 240 30 2
assign (resid 15 and name O4')
(resid 15 and name C1')
(resid 15 and name N1)
(resid 15 and name C2) 1.0 60 30 2
assign (resid 16 and name O4')
(resid 16 and name C1')
(resid 16 and name N1)
(resid 16 and name C2) 1.0 240 40 2
assign (resid 17 and name O4')
(resid 17 and name C1')
(resid 17 and name N1)
(resid 17 and name C2) 1.0 240 30 2
assign (resid 18 and name O4')
(resid 18 and name C1')
(resid 18 and name N1)
(resid 18 and name C2) 1.0 240 30 2
assign (resid 19 and name O4')
(resid 19 and name C1')
(resid 19 and name N9)
(resid 19 and name C4) 1.0 240 30 2
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