NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22795 |
2jr4   |
15319 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!---------------------------------------------------------------------
!Torsion Angle restraints
!----------------------------------------------------------------------
???!Loop
!CYT 32 C3' endo
assign (resid 32 and name O4')
(resid 32 and name C4')
(resid 32 and name C3')
(resid 32 and name C2') 1.0 -36.1 15 2
assign (resid 32 and name C4')
(resid 32 and name C3')
(resid 32 and name C2')
(resid 32 and name C1') 1.0 37.3 15 2
assign (resid 32 and name C3')
(resid 32 and name C2')
(resid 32 and name C1')
(resid 32 and name O4') 1.0 -25.8 15 2
!CYT 33 C3' endo
!
assign (resid 33 and name O4')
(resid 33 and name C4')
(resid 33 and name C3')
(resid 33 and name C2') 1.0 -36.1 15 2
assign (resid 33 and name C4')
(resid 33 and name C3')
(resid 33 and name C2')
(resid 33 and name C1') 1.0 37.3 15 2
assign (resid 33 and name C3')
(resid 33 and name C2')
(resid 33 and name C1')
(resid 33 and name O4') 1.0 -25.8 15 2
!URI 34 Unrestrained
!ADE 35 Unrestrained
!CYT 36 Unrestrained
!ADE 37 Unrestrained
!ADE 38 C3' endo
!
assign (resid 38 and name O4')
(resid 38 and name C4')
(resid 38 and name C3')
(resid 38 and name C2') 1.0 -36.1 15 2
assign (resid 38 and name C4')
(resid 38 and name C3')
(resid 38 and name C2')
(resid 38 and name C1') 1.0 37.3 15 2
assign (resid 38 and name C3')
(resid 38 and name C2')
(resid 38 and name C1')
(resid 38 and name O4') 1.0 -25.8 15 2
!alpha: O3'-P-O5'-C5'
!CYT 32
assign (resid 31 and name O3')
(resid 32 and name P )
(resid 32 and name O5')
(resid 32 and name C5') 1.0 -68 30.0 2
!URI 33 left
assign (resid 32 and name O3')
(resid 33 and name P )
(resid 33 and name O5')
(resid 33 and name C5') 1.0 -68 30.0 2
!URI 34
assign (resid 33 and name O3')
(resid 34 and name P )
(resid 34 and name O5')
(resid 34 and name C5') 1.0 -68 30.0 2
!ADE 35 Unrestrained
!CYT 36 Unrestrained
!ADE 37 Unrestrained
!ADE 38
assign (resid 37 and name O3')
(resid 38 and name P )
(resid 38 and name O5')
(resid 38 and name C5') 1.0 -68 30.0 2
!beta: P-O5'-C5'-C4'
!CYT 32
assign (resid 32 and name P )
(resid 32 and name O5')
(resid 32 and name C5')
(resid 32 and name C4') 1.0 178 30.0 2
!URI 33
assign (resid 33 and name P )
(resid 33 and name O5')
(resid 33 and name C5')
(resid 33 and name C4') 1.0 178 30.0 2
!URI 34
assign (resid 34 and name P )
(resid 34 and name O5')
(resid 34 and name C5')
(resid 34 and name C4') 1.0 178 30.0 2
!ADE 35
assign (resid 35 and name P )
(resid 35 and name O5')
(resid 35 and name C5')
(resid 35 and name C4') 1.0 178 30.0 2
!CYT 36
assign (resid 36 and name P )
(resid 36 and name O5')
(resid 36 and name C5')
(resid 36 and name C4') 1.0 178 30.0 2
!ADE 37
assign (resid 37 and name P )
(resid 37 and name O5')
(resid 37 and name C5')
(resid 37 and name C4') 1.0 178 30.0 2
!ADE 38 Unrestrained
!Xhi Purines = O4'-C1'-N9-C4
! Pyrimidines = O4'-C1'-N1-C2
!C32
assign (resid 32 and name O4')
(resid 32 and name C1')
(resid 32 and name N1 )
(resid 32 and name C2 ) 1.0 -158.0 30.0 2
!U33
assign (resid 33 and name O4')
(resid 33 and name C1')
(resid 33 and name N1 )
(resid 33 and name C2 ) 1.0 -158.0 30.0 2
!U34
assign (resid 34 and name O4')
(resid 34 and name C1')
(resid 34 and name N1 )
(resid 34 and name C2 ) 1.0 -158.0 30.0 2
!A35
assign (resid 35 and name O4')
(resid 35 and name C1')
(resid 35 and name N9 )
(resid 35 and name C4 ) 1.0 -158.0 30.0 2
!C36
assign (resid 36 and name O4')
(resid 36 and name C1')
(resid 36 and name N1 )
(resid 36 and name C2 ) 1.0 -158.0 30.0 2
!A37
assign (resid 37 and name O4')
(resid 37 and name C1')
(resid 37 and name N9 )
(resid 37 and name C4 ) 1.0 -158.0 30.0 2
!A38
assign (resid 38 and name O4')
(resid 38 and name C1')
(resid 38 and name N9 )
(resid 38 and name C4 ) 1.0 -158.0 30.0 2
!Epsilon: C4'-C3'-O3'-P
!C32 (trans)
!
assign (resid 32 and name C4')
(resid 32 and name C3')
(resid 32 and name O3')
(resid 33 and name P ) 1.0 -153 30 2
! U33 (trans)
!
assign (resid 33 and name C4')
(resid 33 and name C3')
(resid 33 and name O3')
(resid 34 and name P ) 1.0 -153 30 2
!U34
assign (resid 34 and name C4')
(resid 34 and name C3')
(resid 34 and name O3')
(resid 35 and name P ) 1.0 -153 30 2
! A35 (trans)
!
assign (resid 35 and name C4')
(resid 35 and name C3')
(resid 35 and name O3')
(resid 36 and name P ) 1.0 -153 30 2
! C36 (trans)
!
assign (resid 36 and name C4')
(resid 36 and name C3')
(resid 36 and name O3')
(resid 37 and name P ) 1.0 -153 30 2
! A37 (trans)
!
assign (resid 37 and name C4')
(resid 37 and name C3')
(resid 37 and name O3')
(resid 38 and name P ) 1.0 -153 30 2
! A38 (trans)
!
assign (resid 38 and name C4')
(resid 38 and name C3')
(resid 38 and name O3')
(resid 39 and name P ) 1.0 -153 30 2
!Zeta : C3'-O3'-P-O5'
!CYT 32
assign (resid 32 and name C3')
(resid 32 and name O3')
(resid 33 and name P )
(resid 33 and name O5') 1.0 -71 30 2
!URI 33 left unrestrained
!URI 34 left unrestrained
!ADE 35
assign (resid 35 and name C3')
(resid 35 and name O3')
(resid 36 and name P )
(resid 36 and name O5') 1.0 -71 30 2
!CYT 36
assign (resid 36 and name C3')
(resid 36 and name O3')
(resid 37 and name P )
(resid 37 and name O5') 1.0 -71 30 2
!ADE 37 left unrestrained
!ADE 38
assign (resid 38 and name C3')
(resid 38 and name O3')
(resid 39 and name P )
(resid 39 and name O5') 1.0 -71 30 2
!---------------------------------------------
! Stem
!CYT 27 C3' endo
!nu0
assign (resid 27 and name C4')
(resid 27 and name O4')
(resid 27 and name C1')
(resid 27 and name C2') 1.0 3 30 2
!nu1
assign (resid 27 and name O4')
(resid 27 and name C1')
(resid 27 and name C2')
(resid 27 and name C3') 1.0 -25 30 2
!nu2
assign (resid 27 and name C1')
(resid 27 and name C2')
(resid 27 and name C3')
(resid 27 and name C4') 1.0 37 30 2
!nu3
assign (resid 27 and name C2')
(resid 27 and name C3')
(resid 27 and name C4')
(resid 27 and name O4') 1.0 -36 30 2
!nu4
assign (resid 27 and name C3')
(resid 27 and name C4')
(resid 27 and name O4')
(resid 27 and name C1') 1.0 21 30 2
!CYT 28 C3' endo
!nu0
assign (resid 28 and name C4')
(resid 28 and name O4')
(resid 28 and name C1')
(resid 28 and name C2') 1.0 3 30 2
!nu1
assign (resid 28 and name O4')
(resid 28 and name C1')
(resid 28 and name C2')
(resid 28 and name C3') 1.0 -25 30 2
!nu2
assign (resid 28 and name C1')
(resid 28 and name C2')
(resid 28 and name C3')
(resid 28 and name C4') 1.0 37 30 2
!nu3
assign (resid 28 and name C2')
(resid 28 and name C3')
(resid 28 and name C4')
(resid 28 and name O4') 1.0 -36 30 2
!nu4
assign (resid 28 and name C3')
(resid 28 and name C4')
(resid 28 and name O4')
(resid 28 and name C1') 1.0 21 30 2
!URI 29 C3' endo
!nu0
assign (resid 29 and name C4')
(resid 29 and name O4')
(resid 29 and name C1')
(resid 29 and name C2') 1.0 3 30 2
!nu1
assign (resid 29 and name O4')
(resid 29 and name C1')
(resid 29 and name C2')
(resid 29 and name C3') 1.0 -25 30 2
!nu2
assign (resid 29 and name C1')
(resid 29 and name C2')
(resid 29 and name C3')
(resid 29 and name C4') 1.0 37 30 2
!nu3
assign (resid 29 and name C2')
(resid 29 and name C3')
(resid 29 and name C4')
(resid 29 and name O4') 1.0 -36 30 2
!nu4
assign (resid 29 and name C3')
(resid 29 and name C4')
(resid 29 and name O4')
(resid 29 and name C1') 1.0 21 30 2
!CYT 30 C3' endo
!nu0
assign (resid 30 and name C4')
(resid 30 and name O4')
(resid 30 and name C1')
(resid 30 and name C2') 1.0 3 30 2
!nu1
assign (resid 30 and name O4')
(resid 30 and name C1')
(resid 30 and name C2')
(resid 30 and name C3') 1.0 -25 30 2
!nu2
assign (resid 30 and name C1')
(resid 30 and name C2')
(resid 30 and name C3')
(resid 30 and name C4') 1.0 37 30 2
!nu3
assign (resid 30 and name C2')
(resid 30 and name C3')
(resid 30 and name C4')
(resid 30 and name O4') 1.0 -36 30 2
!nu4
assign (resid 30 and name C3')
(resid 30 and name C4')
(resid 30 and name O4')
(resid 30 and name C1') 1.0 21 30 2
!CYT 31 C3' endo
!nu0
assign (resid 31 and name C4')
(resid 31 and name O4')
(resid 31 and name C1')
(resid 31 and name C2') 1.0 3 30 2
!nu1
assign (resid 31 and name O4')
(resid 31 and name C1')
(resid 31 and name C2')
(resid 31 and name C3') 1.0 -25 30 2
!nu2
assign (resid 31 and name C1')
(resid 31 and name C2')
(resid 31 and name C3')
(resid 31 and name C4') 1.0 37 30 2
!nu3
assign (resid 31 and name C2')
(resid 31 and name C3')
(resid 31 and name C4')
(resid 31 and name O4') 1.0 -36 30 2
!nu4
assign (resid 31 and name C3')
(resid 31 and name C4')
(resid 31 and name O4')
(resid 31 and name C1') 1.0 21 30 2
!GUA 39 C3'endo
!nu0
assign (resid 39 and name C4')
(resid 39 and name O4')
(resid 39 and name C1')
(resid 39 and name C2') 1.0 3 30 2
!nu1
assign (resid 39 and name O4')
(resid 39 and name C1')
(resid 39 and name C2')
(resid 39 and name C3') 1.0 -25 30 2
!nu2
assign (resid 39 and name C1')
(resid 39 and name C2')
(resid 39 and name C3')
(resid 39 and name C4') 1.0 37 30 2
!nu3
assign (resid 39 and name C2')
(resid 39 and name C3')
(resid 39 and name C4')
(resid 39 and name O4') 1.0 -36 30 2
!nu4
assign (resid 39 and name C3')
(resid 39 and name C4')
(resid 39 and name O4')
(resid 39 and name C1') 1.0 21 30 2
!G40 C3' endo
!nu0
assign (resid 40 and name C4')
(resid 40 and name O4')
(resid 40 and name C1')
(resid 40 and name C2') 1.0 3 30 2
!nu1
assign (resid 40 and name O4')
(resid 40 and name C1')
(resid 40 and name C2')
(resid 40 and name C3') 1.0 -25 30 2
!nu2
assign (resid 40 and name C1')
(resid 40 and name C2')
(resid 40 and name C3')
(resid 40 and name C4') 1.0 37 30 2
!nu3
assign (resid 40 and name C2')
(resid 40 and name C3')
(resid 40 and name C4')
(resid 40 and name O4') 1.0 -36 30 2
!nu4
assign (resid 40 and name C3')
(resid 40 and name C4')
(resid 40 and name O4')
(resid 40 and name C1') 1.0 21 30 2
!ADE 41 C3'endo
!nu0
assign (resid 41 and name C4')
(resid 41 and name O4')
(resid 41 and name C1')
(resid 41 and name C2') 1.0 3 30 2
!nu1
assign (resid 41 and name O4')
(resid 41 and name C1')
(resid 41 and name C2')
(resid 41 and name C3') 1.0 -25 30 2
!nu2
assign (resid 41 and name C1')
(resid 41 and name C2')
(resid 41 and name C3')
(resid 41 and name C4') 1.0 37 30 2
!nu3
assign (resid 41 and name C2')
(resid 41 and name C3')
(resid 41 and name C4')
(resid 41 and name O4') 1.0 -36 30 2
!nu4
assign (resid 41 and name C3')
(resid 41 and name C4')
(resid 41 and name O4')
(resid 41 and name C1') 1.0 21 30 2
!GUA 42 C3'endo
!nu0
assign (resid 42 and name C4')
(resid 42 and name O4')
(resid 42 and name C1')
(resid 42 and name C2') 1.0 3 30 2
!nu1
assign (resid 42 and name O4')
(resid 42 and name C1')
(resid 42 and name C2')
(resid 42 and name C3') 1.0 -25 30 2
!nu2
assign (resid 42 and name C1')
(resid 42 and name C2')
(resid 42 and name C3')
(resid 42 and name C4') 1.0 37 30 2
!nu3
assign (resid 42 and name C2')
(resid 42 and name C3')
(resid 42 and name C4')
(resid 42 and name O4') 1.0 -36 30 2
!nu4
assign (resid 42 and name C3')
(resid 42 and name C4')
(resid 42 and name O4')
(resid 42 and name C1') 1.0 21 30 2
!GUA 43 C2'endo
!alpha: O3'-P-O5'-C5'
!CYT 27 left unconstrained no 5' phosphate for this residue********
!CYT 28
assign (resid 27 and name O3')
(resid 28 and name P )
(resid 28 and name O5')
(resid 28 and name C5') 1.0 -68 15 2
!URI 29
assign (resid 28 and name O3')
(resid 29 and name P )
(resid 29 and name O5')
(resid 29 and name C5') 1.0 -68 15 2
!CYT 30
assign (resid 29 and name O3')
(resid 30 and name P )
(resid 30 and name O5')
(resid 30 and name C5') 1.0 -68 15 2
!CYT 31
assign (resid 30 and name O3')
(resid 31 and name P )
(resid 31 and name O5')
(resid 31 and name C5') 1.0 -68 15 2
!GUA 39
assign (resid 38 and name O3')
(resid 39 and name P )
(resid 39 and name O5')
(resid 39 and name C5') 1.0 -68 15 2
!GUA 40
assign (resid 39 and name O3')
(resid 40 and name P )
(resid 40 and name O5')
(resid 40 and name C5') 1.0 -68 15 2
!ADE 41
assign (resid 40 and name O3')
(resid 41 and name P )
(resid 41 and name O5')
(resid 41 and name C5') 1.0 -68 15 2
!GUA 42
assign (resid 41 and name O3')
(resid 42 and name P )
(resid 42 and name O5')
(resid 42 and name C5') 1.0 -68 15 2
!GUA 43
assign (resid 42 and name O3')
(resid 43 and name P )
(resid 43 and name O5')
(resid 43 and name C5') 1.0 -68 15 2
!beta: P-O5'-C5'-C4'
!CYT 27 no 5' Phosphate
!CYT 28
assign (resid 28 and name P )
(resid 28 and name O5')
(resid 28 and name C5')
(resid 28 and name C4') 1.0 178 15.0 2
!URI 29
assign (resid 29 and name P )
(resid 29 and name O5')
(resid 29 and name C5')
(resid 29 and name C4') 1.0 178 15.0 2
!CYT 30
assign (resid 30 and name P )
(resid 30 and name O5')
(resid 30 and name C5')
(resid 30 and name C4') 1.0 178 15.0 2
!CYT 31
assign (resid 31 and name P )
(resid 31 and name O5')
(resid 31 and name C5')
(resid 31 and name C4') 1.0 178 15.0 2
!GUA 39
assign (resid 39 and name P )
(resid 39 and name O5')
(resid 39 and name C5')
(resid 39 and name C4') 1.0 178 15.0 2
!GUA 40
assign (resid 40 and name P )
(resid 40 and name O5')
(resid 40 and name C5')
(resid 40 and name C4') 1.0 178 15.0 2
!ADE 41
assign (resid 41 and name P )
(resid 41 and name O5')
(resid 41 and name C5')
(resid 41 and name C4') 1.0 178 15.0 2
!GUA 42
assign (resid 42 and name P )
(resid 42 and name O5')
(resid 42 and name C5')
(resid 42 and name C4') 1.0 178 15.0 2
!GUA 43
assign (resid 43 and name P )
(resid 43 and name O5')
(resid 43 and name C5')
(resid 43 and name C4') 1.0 178 15.0 2
!Xhi Purines = O4'-C1'-N9-C4
! Pyrimidines = O4'-C1'-N1-C2
!C27
assign (resid 27 and name O4')
(resid 27 and name C1')
(resid 27 and name N1 )
(resid 27 and name C2 ) 1.0 -158.0 15.0 2
!C28
assign (resid 28 and name O4')
(resid 28 and name C1')
(resid 28 and name N1 )
(resid 28 and name C2 ) 1.0 -158.0 15.0 2
!U29
assign (resid 29 and name O4')
(resid 29 and name C1')
(resid 29 and name N1 )
(resid 29 and name C2 ) 1.0 -158.0 15.0 2
!C30
assign (resid 30 and name O4')
(resid 30 and name C1')
(resid 30 and name N1 )
(resid 30 and name C2 ) 1.0 -158.0 15.0 2
!C31
assign (resid 31 and name O4')
(resid 31 and name C1')
(resid 31 and name N1 )
(resid 31 and name C2 ) 1.0 -158.0 15.0 2
!G39
assign (resid 39 and name O4')
(resid 39 and name C1')
(resid 39 and name N9 )
(resid 39 and name C4 ) 1.0 -158.0 15.0 2
!G40
assign (resid 40 and name O4')
(resid 40 and name C1')
(resid 40 and name N9 )
(resid 40 and name C4 ) 1.0 -158.0 15.0 2
!A41
assign (resid 41 and name O4')
(resid 41 and name C1')
(resid 41 and name N9 )
(resid 41 and name C4 ) 1.0 -158.0 15.0 2
!G42
assign (resid 42 and name O4')
(resid 42 and name C1')
(resid 42 and name N9 )
(resid 42 and name C4 ) 1.0 -158.0 15.0 2
!G43
assign (resid 43 and name O4')
(resid 43 and name C1')
(resid 43 and name N9 )
(resid 43 and name C4 ) 1.0 -158.0 15.0 2
!Epsilon: C4'-C3'-O3'-P
! C27 (trans)
!
assign (resid 27 and name C4')
(resid 27 and name C3')
(resid 27 and name O3')
(resid 28 and name P ) 1.0 -153 15.0 2
! C28 (trans)
!
assign (resid 28 and name C4')
(resid 28 and name C3')
(resid 28 and name O3')
(resid 29 and name P ) 1.0 -153 15.0 2
! U29 (trans)
!
assign (resid 29 and name C4')
(resid 29 and name C3')
(resid 29 and name O3')
(resid 30 and name P ) 1.0 -153 15.0 2
! C30 (trans)
!
assign (resid 30 and name C4')
(resid 30 and name C3')
(resid 30 and name O3')
(resid 31 and name P ) 1.0 -153 15.0 2
! C31 (trans)
!
assign (resid 31 and name C4')
(resid 31 and name C3')
(resid 31 and name O3')
(resid 32 and name P ) 1.0 -153 15.0 2
! G39 (trans)
!
assign (resid 39 and name C4')
(resid 39 and name C3')
(resid 39 and name O3')
(resid 40 and name P ) 1.0 -153 15.0 2
! G40 (trans)
!
assign (resid 40 and name C4')
(resid 40 and name C3')
(resid 40 and name O3')
(resid 41 and name P ) 1.0 -153 15.0 2
! A41 (trans)
!
assign (resid 41 and name C4')
(resid 41 and name C3')
(resid 41 and name O3')
(resid 42 and name P ) 1.0 -153 15.0 2
! G42 (trans)
!
assign (resid 42 and name C4')
(resid 42 and name C3')
(resid 42 and name O3')
(resid 43 and name P ) 1.0 -153 15.0 2
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