NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
142836 |
2rpt   |
cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!Sugar pucker and dihedral angle restraints for TSMC.
! 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
assign (resid 2 and name O4')
(resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3') 1.0 -20.0 10.0 2
assign (resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3')
(resid 2 and name C4') 1.0 35.0 5.0 2
assign (resid 3 and name O4')
(resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3') 1.0 -20.0 10.0 2
assign (resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3')
(resid 3 and name C4') 1.0 35.0 5.0 2
assign (resid 4 and name O4')
(resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3') 1.0 -20.0 10.0 2
assign (resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3')
(resid 4 and name C4') 1.0 35.0 5.0 2
assign (resid 6 and name O4')
(resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3') 1.0 -20.0 10.0 2
assign (resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3')
(resid 6 and name C4') 1.0 35.0 5.0 2
assign (resid 7 and name O4')
(resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3') 1.0 -20.0 10.0 2
assign (resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3')
(resid 7 and name C4') 1.0 35.0 5.0 2
assign (resid 8 and name O4')
(resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3') 1.0 -20.0 10.0 2
assign (resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3')
(resid 8 and name C4') 1.0 35.0 5.0 2
assign (resid 14 and name O4')
(resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3') 1.0 -20.0 10.0 2
assign (resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3')
(resid 14 and name C4') 1.0 35.0 5.0 2
assign (resid 15 and name O4')
(resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3') 1.0 -20.0 10.0 2
assign (resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3')
(resid 15 and name C4') 1.0 35.0 5.0 2
assign (resid 18 and name O4')
(resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3') 1.0 -20.0 10.0 2
assign (resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3')
(resid 18 and name C4') 1.0 35.0 5.0 2
assign (resid 19 and name O4')
(resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3') 1.0 -20.0 10.0 2
assign (resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3')
(resid 19 and name C4') 1.0 35.0 5.0 2
!alpha 1.0 -62.0 40.0 2 n O5' --> n C5'
!beta 1.0 -180.0 40.0 2 n C5' --> n C4'
!gamma 1.0 47.0 40.0 2 n C4' --> n C3'
!epsilon 1.0 -152.0 40.0 2 n O3' --> (n+1) P
!zeta 1.0 -74.0 40.0 2 (n+1) P --> (n+1) O5'
!assign (resid 0 and name O3') (resid 1 and name P)
! (resid 1 and name O5') (resid 1 and name C5') 1.0 -62.0 40.0 2
!assign (resid 1 and name P) (resid 1 and name O5')
! (resid 1 and name C5') (resid 1 and name C4') 1.0 -180.0 40.0 2
assign (resid 1 and name O5') (resid 1 and name C5')
(resid 1 and name C4') (resid 1 and name C3') 1.0 47.0 40.0 2
assign (resid 1 and name C4') (resid 1 and name C3')
(resid 1 and name O3') (resid 2 and name P) 1.0 -152.0 40.0 2
assign (resid 1 and name C3') (resid 1 and name O3')
(resid 2 and name P) (resid 2 and name O5') 1.0 -74.0 40.0 2
assign (resid 1 and name O3') (resid 2 and name P)
(resid 2 and name O5') (resid 2 and name C5') 1.0 -62.0 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 40.0 2
assign (resid 2 and name O5') (resid 2 and name C5')
(resid 2 and name C4') (resid 2 and name C3') 1.0 47.0 40.0 2
assign (resid 2 and name C4') (resid 2 and name C3')
(resid 2 and name O3') (resid 3 and name P) 1.0 -152.0 40.0 2
assign (resid 2 and name C3') (resid 2 and name O3')
(resid 3 and name P) (resid 3 and name O5') 1.0 -74.0 40.0 2
assign (resid 2 and name O3') (resid 3 and name P)
(resid 3 and name O5') (resid 3 and name C5') 1.0 -62.0 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 40.0 2
assign (resid 3 and name O5') (resid 3 and name C5')
(resid 3 and name C4') (resid 3 and name C3') 1.0 47.0 40.0 2
!assign (resid 3 and name C4') (resid 3 and name C3')
! (resid 3 and name O3') (resid 4 and name P) 1.0 -152.0 40.0 2
!assign (resid 3 and name C3') (resid 3 and name O3')
! (resid 4 and name P) (resid 4 and name O5') 1.0 -74.0 40.0 2
!assign (resid 3 and name O3') (resid 4 and name P)
! (resid 4 and name O5') (resid 4 and name C5') 1.0 -62.0 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 40.0 2
!assign (resid 4 and name O5') (resid 4 and name C5')
! (resid 4 and name C4') (resid 4 and name C3') 1.0 47.0 40.0 2
!assign (resid 4 and name C4') (resid 4 and name C3')
! (resid 4 and name O3') (resid 5 and name P) 1.0 -152.0 40.0 2
!assign (resid 4 and name C3') (resid 4 and name O3')
! (resid 5 and name P) (resid 5 and name O5') 1.0 -74.0 40.0 2
!assign (resid 5 and name O3') (resid 6 and name P)
! (resid 6 and name O5') (resid 6 and name C5') 1.0 -62.0 40.0 2
assign (resid 6 and name P) (resid 6 and name O5')
(resid 6 and name C5') (resid 6 and name C4') 1.0 -180.0 40.0 2
assign (resid 6 and name O5') (resid 6 and name C5')
(resid 6 and name C4') (resid 6 and name C3') 1.0 47.0 40.0 2
assign (resid 6 and name C4') (resid 6 and name C3')
(resid 6 and name O3') (resid 7 and name P) 1.0 -152.0 40.0 2
assign (resid 6 and name C3') (resid 6 and name O3')
(resid 7 and name P) (resid 7 and name O5') 1.0 -74.0 40.0 2
assign (resid 6 and name O3') (resid 7 and name P)
(resid 7 and name O5') (resid 7 and name C5') 1.0 -62.0 40.0 2
assign (resid 7 and name P) (resid 7 and name O5')
(resid 7 and name C5') (resid 7 and name C4') 1.0 -180.0 40.0 2
assign (resid 7 and name O5') (resid 7 and name C5')
(resid 7 and name C4') (resid 7 and name C3') 1.0 47.0 40.0 2
assign (resid 7 and name C4') (resid 7 and name C3')
(resid 7 and name O3') (resid 8 and name P) 1.0 -152.0 40.0 2
assign (resid 7 and name C3') (resid 7 and name O3')
(resid 8 and name P) (resid 8 and name O5') 1.0 -74.0 40.0 2
assign (resid 7 and name O3') (resid 8 and name P)
(resid 8 and name O5') (resid 8 and name C5') 1.0 -62.0 40.0 2
assign (resid 8 and name P) (resid 8 and name O5')
(resid 8 and name C5') (resid 8 and name C4') 1.0 -180.0 40.0 2
assign (resid 8 and name O5') (resid 8 and name C5')
(resid 8 and name C4') (resid 8 and name C3') 1.0 47.0 40.0 2
assign (resid 8 and name C4') (resid 8 and name C3')
(resid 8 and name O3') (resid 9 and name P) 1.0 -152.0 40.0 2
assign (resid 8 and name C3') (resid 8 and name O3')
(resid 9 and name P) (resid 9 and name O5') 1.0 -74.0 40.0 2
!assign (resid 12 and name O3') (resid 13 and name P)
! (resid 13 and name O5') (resid 13 and name C5') 1.0 -62.0 40.0 2
assign (resid 13 and name P) (resid 13 and name O5')
(resid 13 and name C5') (resid 13 and name C4') 1.0 -180.0 40.0 2
assign (resid 13 and name O5') (resid 13 and name C5')
(resid 13 and name C4') (resid 13 and name C3') 1.0 47.0 40.0 2
assign (resid 13 and name C4') (resid 13 and name C3')
(resid 13 and name O3') (resid 14 and name P) 1.0 -152.0 40.0 2
assign (resid 13 and name C3') (resid 13 and name O3')
(resid 14 and name P) (resid 14 and name O5') 1.0 -74.0 40.0 2
assign (resid 13 and name O3') (resid 14 and name P)
(resid 14 and name O5') (resid 14 and name C5') 1.0 -62.0 40.0 2
assign (resid 14 and name P) (resid 14 and name O5')
(resid 14 and name C5') (resid 14 and name C4') 1.0 -180.0 40.0 2
assign (resid 14 and name O5') (resid 14 and name C5')
(resid 14 and name C4') (resid 14 and name C3') 1.0 47.0 40.0 2
assign (resid 14 and name C4') (resid 14 and name C3')
(resid 14 and name O3') (resid 15 and name P) 1.0 -152.0 40.0 2
assign (resid 14 and name C3') (resid 14 and name O3')
(resid 15 and name P) (resid 15 and name O5') 1.0 -74.0 40.0 2
assign (resid 14 and name O3') (resid 15 and name P)
(resid 15 and name O5') (resid 15 and name C5') 1.0 -62.0 40.0 2
assign (resid 15 and name P) (resid 15 and name O5')
(resid 15 and name C5') (resid 15 and name C4') 1.0 -180.0 40.0 2
assign (resid 15 and name O5') (resid 15 and name C5')
(resid 15 and name C4') (resid 15 and name C3') 1.0 47.0 40.0 2
assign (resid 15 and name C4') (resid 15 and name C3')
(resid 15 and name O3') (resid 16 and name P) 1.0 -152.0 40.0 2
!assign (resid 15 and name C3') (resid 15 and name O3')
! (resid 16 and name P) (resid 16 and name O5') 1.0 -74.0 40.0 2
!assign (resid 16 and name O3') (resid 17 and name P)
! (resid 17 and name O5') (resid 17 and name C5') 1.0 -62.0 40.0 2
assign (resid 17 and name P) (resid 17 and name O5')
(resid 17 and name C5') (resid 17 and name C4') 1.0 -180.0 40.0 2
assign (resid 17 and name O5') (resid 17 and name C5')
(resid 17 and name C4') (resid 17 and name C3') 1.0 47.0 40.0 2
assign (resid 17 and name C4') (resid 17 and name C3')
(resid 17 and name O3') (resid 18 and name P) 1.0 -152.0 40.0 2
assign (resid 17 and name C3') (resid 17 and name O3')
(resid 18 and name P) (resid 18 and name O5') 1.0 -74.0 40.0 2
assign (resid 17 and name O3') (resid 18 and name P)
(resid 18 and name O5') (resid 18 and name C5') 1.0 -62.0 40.0 2
assign (resid 18 and name P) (resid 18 and name O5')
(resid 18 and name C5') (resid 18 and name C4') 1.0 -180.0 40.0 2
assign (resid 18 and name O5') (resid 18 and name C5')
(resid 18 and name C4') (resid 18 and name C3') 1.0 47.0 40.0 2
assign (resid 18 and name C4') (resid 18 and name C3')
(resid 18 and name O3') (resid 19 and name P) 1.0 -152.0 40.0 2
assign (resid 18 and name C3') (resid 18 and name O3')
(resid 19 and name P) (resid 19 and name O5') 1.0 -74.0 40.0 2
assign (resid 18 and name O3') (resid 19 and name P)
(resid 19 and name O5') (resid 19 and name C5') 1.0 -62.0 40.0 2
assign (resid 19 and name P) (resid 19 and name O5')
(resid 19 and name C5') (resid 19 and name C4') 1.0 -180.0 40.0 2
assign (resid 19 and name O5') (resid 19 and name C5')
(resid 19 and name C4') (resid 19 and name C3') 1.0 47.0 40.0 2
assign (resid 19 and name C4') (resid 19 and name C3')
(resid 19 and name O3') (resid 20 and name P) 1.0 -152.0 40.0 2
assign (resid 19 and name C3') (resid 19 and name O3')
(resid 20 and name P) (resid 20 and name O5') 1.0 -74.0 40.0 2
assign (resid 19 and name O3') (resid 20 and name P)
(resid 20 and name O5') (resid 20 and name C5') 1.0 -62.0 40.0 2
assign (resid 20 and name P) (resid 20 and name O5')
(resid 20 and name C5') (resid 20 and name C4') 1.0 -180.0 40.0 2
assign (resid 20 and name O5') (resid 20 and name C5')
(resid 20 and name C4') (resid 20 and name C3') 1.0 47.0 40.0 2
!assign (resid 20 and name C4') (resid 20 and name C3')
! (resid 20 and name O3') (resid 21 and name P) 1.0 -152.0 40.0 2
!assign (resid 20 and name C3') (resid 20 and name O3')
! (resid 21 and name P) (resid 21 and name O5') 1.0 -74.0 40.0 2
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