NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22840 |
2jrg   |
15331 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
!--------------------------------
!Torsion Angles
!--------------------------------
!Loop
!C32 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 5.0 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 5.0 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 5.0 2
!C33 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 5.0 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 5.0 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 5.0 2
!cmo5U34 unrestrained
!
!A35 unrestrained
!
!C36 C3' endo
!
assign (resid 36 and name O4')
(resid 36 and name C4')
(resid 36 and name C3')
(resid 36 and name C2') 1.0 -36.1 5.0 2
assign (resid 36 and name C4')
(resid 36 and name C3')
(resid 36 and name C2')
(resid 36 and name C1') 1.0 37.3 5.0 2
assign (resid 36 and name C3')
(resid 36 and name C2')
(resid 36 and name C1')
(resid 36 and name O4') 1.0 -25.8 5.0 2
!6MZ37 unrestrained
!
!A38 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 5.0 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 5.0 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 5.0 2
!-----------------------------------------------
!alpha: O3'-P-O5'-C5'
!-----------------------------------------------
!C32
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
!U33
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
!cmo5U34 unrestrained
!A35
assign (resid 34 and name O3')
(resid 35 and name P )
(resid 35 and name O5')
(resid 35 and name C5') 1.0 0 120 2
!C36
assign (resid 35 and name O3')
(resid 36 and name P )
(resid 36 and name O5')
(resid 36 and name C5') 1.0 0 120 2
!6MZ37
assign (resid 36 and name O3')
(resid 37 and name P )
(resid 37 and name O5')
(resid 37 and name C5') 1.0 0 120 2
!A38
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'
!-----------------------------------------------------
!C32
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
!U33
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
!cmo5U34
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
!A35
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
!C36
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
!6MZ37
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
!A38
!assign (resid 38 and name P )
!(resid 38 and name O5')
!(resid 38 and name C5')
!(resid 38 and name C4') 1.0 178 30.0 2
!---------------------------------------------------
!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
!cmo5U34
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
!6MZ37
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
!
assign (resid 32 and name C4')
(resid 32 and name C3')
(resid 32 and name O3')
(resid 33 and name P ) 1.0 -153 20 2
! U33
!
assign (resid 33 and name C4')
(resid 33 and name C3')
(resid 33 and name O3')
(resid 34 and name P ) 1.0 -153 20 2
!cmo5U34
assign (resid 34 and name C4')
(resid 34 and name C3')
(resid 34 and name O3')
(resid 35 and name P ) 1.0 -153 20 2
! A35
!
assign (resid 35 and name C4')
(resid 35 and name C3')
(resid 35 and name O3')
(resid 36 and name P ) 1.0 -153 20 2
! C36
!
assign (resid 36 and name C4')
(resid 36 and name C3')
(resid 36 and name O3')
(resid 37 and name P ) 1.0 -153 20 2
!6MZ37
!
assign (resid 37 and name C4')
(resid 37 and name C3')
(resid 37 and name O3')
(resid 38 and name P ) 1.0 -153 20 2
! A38
!
assign (resid 38 and name C4')
(resid 38 and name C3')
(resid 38 and name O3')
(resid 39 and name P ) 1.0 -153 20 2
!------------------------------------------
!Zeta C3'-O3'-P-O5'
!------------------------------------------
!C32
assign (resid 32 and name C3')
(resid 32 and name O3')
(resid 33 and name P )
(resid 33 and name O5') 1.0 -71 20 2
!U33
assign (resid 33 and name C3')
(resid 33 and name O3')
(resid 34 and name P )
(resid 34 and name O5') 1.0 -71 20 2
!cmo5U34 unrestrained
!A35
assign (resid 35 and name C3')
(resid 35 and name O3')
(resid 36 and name P )
(resid 36 and name O5') 1.0 -71 20 2
!C36
assign (resid 36 and name C3')
(resid 36 and name O3')
(resid 37 and name P )
(resid 37 and name O5') 1.0 -71 20 2
!6MZ37 unrestrained
!A38
assign (resid 38 and name C3')
(resid 38 and name O3')
(resid 39 and name P )
(resid 39 and name O5') 1.0 -71 20 2
! Stem
!C27 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
!C28 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
!U29 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
!C30 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
!C31 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
!G39 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
!A41 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
!G42 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
!G43 C2'endo
!-----------------------------------------------
!alpha: O3'-P-O5'-C5' and
!-----------------------------------------------
!C27 left unconstrained no 5' phosphate for this residue********
!C28
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
!U29
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
!C30
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
!C31
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
!G39
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
!A41
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
!G42
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
!G43
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'
!-----------------------------------------------------
!C27 no 5' Phosphate
!C28
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
!U29
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
!C30
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
!C31
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
!G39
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
!A41
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
!G42
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
!G43
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
!
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
!
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
!
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
!
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
!
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
!
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
!
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
!
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
!
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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