NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
519514 |
2ldt   |
17682 | cing | 1-original | 6 | XPLOR/CNS | dihedral angle |
!
!
! Torsion angle restraints for the xhi torsion angle in the
! GZ33 - Theophylline RNA complex.
!
! Xhi is defined as follows...
! Purines = O4'-C1'-N9-C4
! Pyrimidines = O4'-C1'-N1-C2
! Anti:
! Xhi = 180.0 +/- 90.0
! including high-anti and excluding high-syn:
! Xhi = -150.0 +/- 90.0
! Syn:
! Xhi = 0.0 +/- 90.0
! See Saenger page 22.
!
! There are no syn bases in the GZ33-Theophylline complex.
! No large H1'-Haro nOes were observed, and large H3'-Haro
! (or H2'-Haro) were observed for all nucleotides.
!
assign (resid 1 and name O4') (resid 1 and name C1')
(resid 1 and name N9 )
(resid 1 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 2 and name O4') (resid 2 and name C1')
(resid 2 and name N9 )
(resid 2 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 3 and name O4') (resid 3 and name C1')
(resid 3 and name N1 )
(resid 3 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 4 and name O4') (resid 4 and name C1')
(resid 4 and name N9 )
(resid 4 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 5 and name O4') (resid 5 and name C1')
(resid 5 and name N9 )
(resid 5 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 6 and name O4') (resid 6 and name C1')
(resid 6 and name N1 )
(resid 6 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 7 and name O4') (resid 7 and name C1')
(resid 7 and name N9 )
(resid 7 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 8 and name O4') (resid 8 and name C1')
(resid 8 and name N1 )
(resid 8 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 9 and name O4') (resid 9 and name C1')
(resid 9 and name N1 )
(resid 9 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 10 and name O4') (resid 10 and name C1')
(resid 10 and name N9 )
(resid 10 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 11 and name O4') (resid 11 and name C1')
(resid 11 and name N9 )
(resid 11 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 12 and name O4') (resid 12 and name C1')
(resid 12 and name N1 )
(resid 12 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 13 and name O4') (resid 13 and name C1')
(resid 13 and name N1 )
(resid 13 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 14 and name O4') (resid 14 and name C1')
(resid 14 and name N9 )
(resid 14 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 15 and name O4') (resid 15 and name C1')
(resid 15 and name N9 )
(resid 15 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 16 and name O4') (resid 16 and name C1')
(resid 16 and name N9 )
(resid 16 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 17 and name O4') (resid 17 and name C1')
(resid 17 and name N9 )
(resid 17 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 18 and name O4') (resid 18 and name C1')
(resid 18 and name N9 )
(resid 18 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 19 and name O4') (resid 19 and name C1')
(resid 19 and name N9 )
(resid 19 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 20 and name O4') (resid 20 and name C1')
(resid 20 and name N1 )
(resid 20 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 21 and name O4') (resid 21 and name C1')
(resid 21 and name N1 )
(resid 21 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 22 and name O4') (resid 22 and name C1')
(resid 22 and name N1 )
(resid 22 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 23 and name O4') (resid 23 and name C1')
(resid 23 and name N1 )
(resid 23 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 24 and name O4') (resid 24 and name C1')
(resid 24 and name N1 )
(resid 24 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 25 and name O4') (resid 25 and name C1')
(resid 25 and name N9 )
(resid 25 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 26 and name O4') (resid 26 and name C1')
(resid 26 and name N9 )
(resid 26 and name C4 ) 1.0 -150.0 90.0 2
! Cyt 27 left unrestrained ( likely averaged ).
assign (resid 28 and name O4') (resid 28 and name C1')
(resid 28 and name N9 )
(resid 28 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 29 and name O4') (resid 29 and name C1')
(resid 29 and name N9 )
(resid 29 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 30 and name O4') (resid 30 and name C1')
(resid 30 and name N1 )
(resid 30 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 31 and name O4') (resid 31 and name C1')
(resid 31 and name N9 )
(resid 31 and name C4 ) 1.0 -150.0 90.0 2
assign (resid 32 and name O4') (resid 32 and name C1')
(resid 32 and name N1 )
(resid 32 and name C2 ) 1.0 -150.0 90.0 2
assign (resid 33 and name O4') (resid 33 and name C1')
(resid 33 and name N1 )
(resid 33 and name C2 ) 1.0 -150.0 90.0 2
!
assign (resid 27 and name O4') (resid 27 and name C1')
(resid 27 and name N1 )
(resid 27 and name C2 ) 1.0 -150.0 90.0 2
!DNA
!dihedral restraints on epsilon, zeta, alpha, beta
!!1
assign (resid 1 and name c4') (resid 1 and name c3')
(resid 1 and name o3') (resid 2 and name p ) 1.0 -160.0 50.0 2
assign (resid 1 and name c3') (resid 1 and name o3')
(resid 2 and name p ) (resid 2 and name o5') 1.0 -70.0 50.0 2
!!2
assign (resid 1 and name o3') (resid 2 and name p )
(resid 2 and name o5') (resid 2 and name c5') 1.0 -60.0 40.0 2
assign (resid 2 and name p ) (resid 2 and name o5')
(resid 2 and name c5') (resid 2 and name c4') 1.0 180.0 50.0 2
assign (resid 2 and name c4') (resid 2 and name c3')
(resid 2 and name o3') (resid 3 and name p ) 1.0 -160.0 50.0 2
assign (resid 2 and name c3') (resid 2 and name o3')
(resid 3 and name p ) (resid 3 and name o5') 1.0 -70.0 50.0 2
!!3
assign (resid 2 and name o3') (resid 3 and name p )
(resid 3 and name o5') (resid 3 and name c5') 1.0 -60.0 40.0 2
assign (resid 3 and name p ) (resid 3 and name o5')
(resid 3 and name c5') (resid 3 and name c4') 1.0 180.0 50.0 2
assign (resid 3 and name c4') (resid 3 and name c3')
(resid 3 and name o3') (resid 4 and name p ) 1.0 -160.0 50.0 2
assign (resid 3 and name c3') (resid 3 and name o3')
(resid 4 and name p ) (resid 4 and name o5') 1.0 -70.0 50.0 2
!!4
assign (resid 3 and name o3') (resid 4 and name p )
(resid 4 and name o5') (resid 4 and name c5') 1.0 -60.0 40.0 2
assign (resid 4 and name p ) (resid 4 and name o5')
(resid 4 and name c5') (resid 4 and name c4') 1.0 180.0 50.0 2
assign (resid 4 and name c4') (resid 4 and name c3')
(resid 4 and name o3') (resid 5 and name p ) 1.0 -160.0 50.0 2
assign (resid 4 and name c3') (resid 4 and name o3')
(resid 5 and name p ) (resid 5 and name o5') 1.0 -70.0 50.0 2
!!5
assign (resid 4 and name o3') (resid 5 and name p )
(resid 5 and name o5') (resid 5 and name c5') 1.0 -60.0 40.0 2
assign (resid 5 and name p ) (resid 5 and name o5')
(resid 5 and name c5') (resid 5 and name c4') 1.0 180.0 50.0 2
assign (resid 5 and name c4') (resid 5 and name c3')
(resid 5 and name o3') (resid 6 and name p ) 1.0 -160.0 50.0 2
assign (resid 5 and name c3') (resid 5 and name o3')
(resid 6 and name p ) (resid 6 and name o5') 1.0 -70.0 50.0 2
!!29
assign (resid 28 and name o3') (resid 29 and name p )
(resid 29 and name o5') (resid 29 and name c5') 1.0 -60.0 40.0 2
assign (resid 29 and name p ) (resid 29 and name o5')
(resid 29 and name c5') (resid 29 and name c4') 1.0 180.0 50.0 2
assign (resid 29 and name c4') (resid 29 and name c3')
(resid 29 and name o3') (resid 30 and name p ) 1.0 -160.0 50.0 2
assign (resid 29 and name c3') (resid 29 and name o3')
(resid 30 and name p ) (resid 30 and name o5') 1.0 -70.0 50.0 2
!!30
assign (resid 29 and name o3') (resid 30 and name p )
(resid 30 and name o5') (resid 30 and name c5') 1.0 -60.0 40.0 2
assign (resid 30 and name p ) (resid 30 and name o5')
(resid 30 and name c5') (resid 30 and name c4') 1.0 180.0 50.0 2
assign (resid 30 and name c4') (resid 30 and name c3')
(resid 30 and name o3') (resid 31 and name p ) 1.0 -160.0 50.0 2
assign (resid 30 and name c3') (resid 30 and name o3')
(resid 31 and name p ) (resid 31 and name o5') 1.0 -70.0 50.0 2
!!31
assign (resid 30 and name o3') (resid 31 and name p )
(resid 31 and name o5') (resid 31 and name c5') 1.0 -60.0 40.0 2
assign (resid 31 and name p ) (resid 31 and name o5')
(resid 31 and name c5') (resid 31 and name c4') 1.0 180.0 50.0 2
assign (resid 31 and name c4') (resid 31 and name c3')
(resid 31 and name o3') (resid 32 and name p ) 1.0 -160.0 50.0 2
assign (resid 31 and name c3') (resid 31 and name o3')
(resid 32 and name p ) (resid 32 and name o5') 1.0 -70.0 50.0 2
!!32
assign (resid 31 and name o3') (resid 32 and name p )
(resid 32 and name o5') (resid 32 and name c5') 1.0 -60.0 40.0 2
assign (resid 32 and name p ) (resid 32 and name o5')
(resid 32 and name c5') (resid 32 and name c4') 1.0 180.0 50.0 2
assign (resid 32 and name c4') (resid 32 and name c3')
(resid 32 and name o3') (resid 33 and name p ) 1.0 -160.0 50.0 2
assign (resid 32 and name c3') (resid 32 and name o3')
(resid 33 and name p ) (resid 33 and name o5') 1.0 -70.0 50.0 2
!!33
assign (resid 32 and name o3') (resid 33 and name p )
(resid 33 and name o5') (resid 33 and name c5') 1.0 -60.0 40.0 2
assign (resid 33 and name p ) (resid 33 and name o5')
(resid 33 and name c5') (resid 33 and name c4') 1.0 180.0 50.0 2
!gamma
assign (resid 1 and name o5') (resid 1 and name c5')
(resid 1 and name c4') (resid 1 and name c3') 1.0 60.0 30.0 2
assign (resid 2 and name o5') (resid 2 and name c5')
(resid 2 and name c4') (resid 2 and name c3') 1.0 60.0 30.0 2
assign (resid 3 and name o5') (resid 3 and name c5')
(resid 3 and name c4') (resid 3 and name c3') 1.0 60.0 30.0 2
assign (resid 4 and name o5') (resid 4 and name c5')
(resid 4 and name c4') (resid 4 and name c3') 1.0 60.0 30.0 2
assign (resid 5 and name o5') (resid 5 and name c5')
(resid 5 and name c4') (resid 5 and name c3') 1.0 60.0 30.0 2
assign (resid 33 and name o5') (resid 33 and name c5')
(resid 33 and name c4') (resid 33 and name c3') 1.0 60.0 30.0 2
assign (resid 32 and name o5') (resid 32 and name c5')
(resid 32 and name c4') (resid 32 and name c3') 1.0 60.0 30.0 2
assign (resid 31 and name o5') (resid 31 and name c5')
(resid 31 and name c4') (resid 31 and name c3') 1.0 60.0 30.0 2
assign (resid 30 and name o5') (resid 30 and name c5')
(resid 30 and name c4') (resid 30 and name c3') 1.0 60.0 30.0 2
assign (resid 29 and name o5') (resid 29 and name c5')
(resid 29 and name c4') (resid 29 and name c3') 1.0 60.0 30.0 2
! Meredith's 888 dip_30_888.tbl
! modified from dip2rand.nawk Table; Output File: dip_70.tbl
! FractRand: 0.70; NO-Overlap
! SEED: 54001124
! Mean ABS(Measure): 13.4789 Mean SumSquare: 225.0152 Count: 71
! Date: Mon Jun 24 11:00:54 EDT 2002
! Path: /net/octave1/clore/RNA_THEO/PAIRS/TEST
!
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