NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
498246 |
2l9e   |
17449 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!=====================================================
!Loop
!=====================================================
!*******
!alpha
!*******
! 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
! mcm5s2U34
!
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
! U35
!
assign (resid 34 and name O3')
(resid 35 and name P )
(resid 35 and name O5')
(resid 35 and name C5') 1.0 -68 30.0 2
! U36
!
assign (resid 35 and name O3')
(resid 36 and name P )
(resid 36 and name O5')
(resid 36 and name C5') 1.0 -68 30.0 2
! ms2t6A37
!
assign (resid 36 and name O3')
(resid 37 and name P )
(resid 37 and name O5')
(resid 37 and name C5') 1.0 -68 30.0 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
!************
! 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
! U34
!
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
! U35
!
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
! U36
!
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
! A37
!
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
!*********
!Chi
!*********
!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 20.0 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 20.0 2
!mcm5s2U34
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 20.0 2
!U35
assign (resid 35 and name O4')
(resid 35 and name C1')
(resid 35 and name N1 )
(resid 35 and name C2 ) 1.0 -158.0 20.0 2
!U36
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 20.0 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 20.0 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 20.0 2
!*********
!Epsilon
!*********
!C32
assign (resid 32 and name C4')
(resid 32 and name C3')
(resid 32 and name O3')
(resid 33 and name P ) 1.0 -120.0 120.0 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 -120.0 120.0 2
!mcm5s2U34
assign (resid 34 and name C4')
(resid 34 and name C3')
(resid 34 and name O3')
(resid 35 and name P ) 1.0 -120.0 120.0 2
!U35
assign (resid 35 and name C4')
(resid 35 and name C3')
(resid 35 and name O3')
(resid 36 and name P ) 1.0 -120.0 120.0 2
!U36
assign (resid 36 and name C4')
(resid 36 and name C3')
(resid 36 and name O3')
(resid 37 and name P ) 1.0 -120.0 120.0 2
!ms2t6A37
assign (resid 37 and name C4')
(resid 37 and name C3')
(resid 37 and name O3')
(resid 38 and name P ) 1.0 -120.0 120.0 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 -120.0 120.0 2
!*********
!Zeta
!*********
! 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 30 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 30 2
! mcm5s2U34
!
assign (resid 34 and name C3')
(resid 34 and name O3')
(resid 35 and name P )
(resid 35 and name O5') 1.0 -71 30 2
! U35
!
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
! U36
!
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
! ms2t6A37
!
assign (resid 37 and name C3')
(resid 37 and name O3')
(resid 38 and name P )
(resid 38 and name O5') 1.0 -71 30 2
! 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 30 2
!************
!Sugar Pucker
!************
!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 3.0 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 3.0 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 3.0 2
!U36 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 3.0 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 3.0 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 3.0 2
!A37 C3' endo
!
assign (resid 37 and name O4')
(resid 37 and name C4')
(resid 37 and name C3')
(resid 37 and name C2') 1.0 -36.1 3.0 2
assign (resid 37 and name C4')
(resid 37 and name C3')
(resid 37 and name C2')
(resid 37 and name C1') 1.0 37.3 3.0 2
assign (resid 37 and name C3')
(resid 37 and name C2')
(resid 37 and name C1')
(resid 37 and name O4') 1.0 -25.8 3.0 2
!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 3.0 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 3.0 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 3.0 2
!######################################################
! Tosion Angles from the Stem residues
!######################################################
!*******
!alpha
!*******
!
! G27 (no constraint: no 5' phosphate in molecular model)
!
!
! 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 30.0 2
! A29
!
assign (resid 28 and name O3')
(resid 29 and name P )
(resid 29 and name O5')
(resid 29 and name C5') 1.0 -68 30.0 2
! G30
!
assign (resid 29 and name O3')
(resid 30 and name P )
(resid 30 and name O5')
(resid 30 and name C5') 1.0 -68 30.0 2
! A31
!
assign (resid 30 and name O3')
(resid 31 and name P )
(resid 31 and name O5')
(resid 31 and name C5') 1.0 -68 30.0 2
! U39
!
assign (resid 38 and name O3')
(resid 39 and name P )
(resid 39 and name O5')
(resid 39 and name C5') 1.0 -68 30.0 2
! C40
!
assign (resid 39 and name O3')
(resid 40 and name P )
(resid 40 and name O5')
(resid 40 and name C5') 1.0 -68 30.0 2
! U41
!
assign (resid 40 and name O3')
(resid 41 and name P )
(resid 41 and name O5')
(resid 41 and name C5') 1.0 -68 30.0 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 30.0 2
! C43
!
assign (resid 42 and name O3')
(resid 43 and name P )
(resid 43 and name O5')
(resid 43 and name C5') 1.0 -68 30.0 2
!*************
!beta
!************
! G27 - no 5' phosphate
!
!
! G28
!
assign (resid 28 and name P )
(resid 28 and name O5')
(resid 28 and name C5')
(resid 28 and name C4') 1.0 178 30.0 2
!
! A29
!
assign (resid 29 and name P )
(resid 29 and name O5')
(resid 29 and name C5')
(resid 29 and name C4') 1.0 178 30.0 2
!
! G30
!
assign (resid 30 and name P )
(resid 30 and name O5')
(resid 30 and name C5')
(resid 30 and name C4') 1.0 178 30.0 2
!
! A31
!
assign (resid 31 and name P )
(resid 31 and name O5')
(resid 31 and name C5')
(resid 31 and name C4') 1.0 178 30.0 2
! U39
!
assign (resid 39 and name P )
(resid 39 and name O5')
(resid 39 and name C5')
(resid 39 and name C4') 1.0 178 30.0 2
! C40
!
assign (resid 40 and name P )
(resid 40 and name O5')
(resid 40 and name C5')
(resid 40 and name C4') 1.0 178 30.0 2
! U41
!
assign (resid 41 and name P )
(resid 41 and name O5')
(resid 41 and name C5')
(resid 41 and name C4') 1.0 178 30.0 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 30.0 2
! C43
!
assign (resid 43 and name P )
(resid 43 and name O5')
(resid 43 and name C5')
(resid 43 and name C4') 1.0 178 30.0 2
!************
! Chi
!************
!G28
!
assign (resid 28 and name O4 )
(resid 28 and name C1')
(resid 28 and name N9 )
(resid 28 and name C4 ) 1.0 -158.0 20.0 2
!
! A29
!
assign (resid 29 and name O4 )
(resid 29 and name C1')
(resid 29 and name N9 )
(resid 29 and name C4 ) 1.0 -158.0 20.0 2
!
! G30
!
assign (resid 30 and name O4 )
(resid 30 and name C1')
(resid 30 and name N9 )
(resid 30 and name C4 ) 1.0 -158.0 20.0 2
!
! A31
!
assign (resid 31 and name O4 )
(resid 31 and name C1')
(resid 31 and name N9 )
(resid 31 and name C4 ) 1.0 -158.0 20.0 2
! U39
!
assign (resid 39 and name O4')
(resid 39 and name C1')
(resid 39 and name N1 )
(resid 39 and name C2 ) 1.0 -158.0 20.0 2
! C40
!
assign (resid 40 and name O4')
(resid 40 and name C1')
(resid 40 and name N1 )
(resid 40 and name C2 ) 1.0 -158.0 20.0 2
! U41
!
assign (resid 41 and name O4')
(resid 41 and name C1')
(resid 41 and name N1 )
(resid 41 and name C2 ) 1.0 -158.0 20.0 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 20.0 2
! C43
!
assign (resid 43 and name O4')
(resid 43 and name C1')
(resid 43 and name N1 )
(resid 43 and name C2 ) 1.0 -158.0 20.0 2
!************
!Epsilon
!************
!G28
!
assign (resid 28 and name C4')
(resid 28 and name C3')
(resid 28 and name O3')
(resid 29 and name P ) 1.0 -153.0 30.0 2
!
! A29
!
assign (resid 29 and name C4')
(resid 29 and name C3')
(resid 29 and name O3')
(resid 30 and name P ) 1.0 -153.0 30.0 2
!
! G30
!
assign (resid 30 and name C4')
(resid 30 and name C3')
(resid 30 and name O3')
(resid 31 and name P ) 1.0 -153.0 30.0 2
!
! A31
!
assign (resid 31 and name C4')
(resid 31 and name C3')
(resid 31 and name O3')
(resid 32 and name P ) 1.0 -153.0 30.0 2
! U39
!
assign (resid 39 and name C4')
(resid 39 and name C3')
(resid 39 and name O3')
(resid 40 and name P ) 1.0 -153.0 30.0 2
! C40
!
assign (resid 40 and name C4')
(resid 40 and name C3')
(resid 40 and name O3')
(resid 41 and name P ) 1.0 -153.0 30.0 2
! U41
!
assign (resid 41 and name C4')
(resid 41 and name C3')
(resid 41 and name O3')
(resid 42 and name P ) 1.0 -153.0 30.0 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 -153.0 30.0 2
! C43
!
!none
!************
!Zeta
!************
! C27
!
assign (resid 27 and name C3')
(resid 27 and name O3')
(resid 28 and name P )
(resid 28 and name O5') 1.0 -71 30 2
! C28
!
assign (resid 28 and name C3')
(resid 28 and name O3')
(resid 29 and name P )
(resid 29 and name O5') 1.0 -71 30 2
! A29
!
assign (resid 29 and name C3')
(resid 29 and name O3')
(resid 30 and name P )
(resid 30 and name O5') 1.0 -71 30 2
! G30
!
assign (resid 30 and name C3')
(resid 30 and name O3')
(resid 31 and name P )
(resid 31 and name O5') 1.0 -71 30 2
! A31
!
assign (resid 31 and name C3')
(resid 31 and name O3')
(resid 32 and name P )
(resid 32 and name O5') 1.0 -71 30 2
! U39
!
assign (resid 39 and name C3')
(resid 39 and name O3')
(resid 40 and name P )
(resid 40 and name O5') 1.0 -71 30 2
! C40
!
assign (resid 40 and name C3')
(resid 40 and name O3')
(resid 41 and name P )
(resid 41 and name O5') 1.0 -71 30 2
! U41
!
assign (resid 41 and name C3')
(resid 41 and name O3')
(resid 42 and name P )
(resid 42 and name O5') 1.0 -71 30 2
! G42
!
assign (resid 42 and name C3')
(resid 42 and name O3')
(resid 43 and name P )
(resid 43 and name O5') 1.0 -71 30 2
! C43 no 3' phosphate in model
!************
!Sugar Pucker
!************
!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
!A29 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
!G30 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
!A39 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
!C40 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
!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
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