NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
617620 |
5uzz   |
30258 | cing | 1-original | 5 | XPLOR/CNS | dihedral angle |
# Restraints file 3: miR21_dihedral.tbl
! 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
! See Saenger page 20.
!
! C2' endo nucleotides (Judging from TOCSY): only if both H1'-H2'' and
! H1'-H3' couplings both are strong (intensity of H1'-H3' even larger).
! G1
assign (resid 22 and name O4')
(resid 22 and name C1')
(resid 22 and name C2')
(resid 22 and name C3') 1.0 35.0 10.0 2
assign (resid 22 and name C1')
(resid 22 and name C2')
(resid 22 and name C3')
(resid 22 and name C4') 1.0 -35.0 10.0 2
assign (resid 22 and name c5') (resid 22 and name c4')
(resid 22 and name c3') (resid 22 and name o3') 1.0 145.0 20.0 2
assign (resid 22 and name O4') (resid 22 and name C1')
(resid 22 and name N9 ) (resid 22 and name C4 ) 1.0 -150.0 90.0 2
!
! G2
assign (resid 23 and name O4')
(resid 23 and name C1')
(resid 23 and name C2')
(resid 23 and name C3') 1.0 -20.0 15.0 2
assign (resid 23 and name C1')
(resid 23 and name C2')
(resid 23 and name C3')
(resid 23 and name C4') 1.0 35.0 15.0 2
assign (resid 23 and name c5') (resid 23 and name c4')
(resid 23 and name c3') (resid 23 and name o3') 1.0 80.0 25.0 2
assign (resid 23 and name O4') (resid 23 and name C1')
(resid 23 and name N9 ) (resid 23 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 22 and name O3') (resid 23 and name P )
(resid 23 and name O5') (resid 23 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 23 and name P ) (resid 23 and name O5')
(resid 23 and name C5') (resid 23 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 23 and name O5') (resid 23 and name C5')
(resid 23 and name C4') (resid 23 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 23 and name C4') (resid 23 and name C3')
(resid 23 and name O3') (resid 24 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 23 and name C3') (resid 23 and name O3')
(resid 24 and name P ) (resid 24 and name O5') 1.0 -70.0 50.0 2
!
! U3
assign (resid 24 and name O4')
(resid 24 and name C1')
(resid 24 and name C2')
(resid 24 and name C3') 1.0 -20.0 15.0 2
assign (resid 24 and name C1')
(resid 24 and name C2')
(resid 24 and name C3')
(resid 24 and name C4') 1.0 35.0 15.0 2
assign (resid 24 and name c5') (resid 24 and name c4')
(resid 24 and name c3') (resid 24 and name o3') 1.0 80.0 25.0 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
!backbone alpha
assign (resid 23 and name O3') (resid 24 and name P )
(resid 24 and name O5') (resid 24 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 24 and name P ) (resid 24 and name O5')
(resid 24 and name C5') (resid 24 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 24 and name O5') (resid 24 and name C5')
(resid 24 and name C4') (resid 24 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 24 and name C4') (resid 24 and name C3')
(resid 24 and name O3') (resid 25 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 24 and name C3') (resid 24 and name O3')
(resid 25 and name P ) (resid 25 and name O5') 1.0 -70.0 50.0 2
!
! G4
assign (resid 25 and name O4')
(resid 25 and name C1')
(resid 25 and name C2')
(resid 25 and name C3') 1.0 -20.0 15.0 2
assign (resid 25 and name C1')
(resid 25 and name C2')
(resid 25 and name C3')
(resid 25 and name C4') 1.0 35.0 15.0 2
assign (resid 25 and name c5') (resid 25 and name c4')
(resid 25 and name c3') (resid 25 and name o3') 1.0 80.0 25.0 2
assign (resid 25 and name O4') (resid 25 and name C1')
(resid 25 and name N9 ) (resid 25 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 24 and name O3') (resid 25 and name P )
(resid 25 and name O5') (resid 25 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 25 and name P ) (resid 25 and name O5')
(resid 25 and name C5') (resid 25 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 25 and name O5') (resid 25 and name C5')
(resid 25 and name C4') (resid 25 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 25 and name C4') (resid 25 and name C3')
(resid 25 and name O3') (resid 26 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 25 and name C3') (resid 25 and name O3')
(resid 26 and name P ) (resid 26 and name O5') 1.0 -70.0 50.0 2
!
! U5
assign (resid 26 and name O4')
(resid 26 and name C1')
(resid 26 and name C2')
(resid 26 and name C3') 1.0 -20.0 15.0 2
assign (resid 26 and name C1')
(resid 26 and name C2')
(resid 26 and name C3')
(resid 26 and name C4') 1.0 35.0 15.0 2
assign (resid 26 and name c5') (resid 26 and name c4')
(resid 26 and name c3') (resid 26 and name o3') 1.0 80.0 25.0 2
assign (resid 26 and name O4') (resid 26 and name C1')
(resid 26 and name N1 ) (resid 26 and name C2 ) 1.0 -150.0 90.0 2
!backbone alpha
assign (resid 25 and name O3') (resid 26 and name P )
(resid 26 and name O5') (resid 26 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 26 and name P ) (resid 26 and name O5')
(resid 26 and name C5') (resid 26 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 26 and name O5') (resid 26 and name C5')
(resid 26 and name C4') (resid 26 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 26 and name C4') (resid 26 and name C3')
(resid 26 and name O3') (resid 27 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 26 and name C3') (resid 26 and name O3')
(resid 27 and name P ) (resid 27 and name O5') 1.0 -70.0 50.0 2
! U6
assign (resid 27 and name O4')
(resid 27 and name C1')
(resid 27 and name C2')
(resid 27 and name C3') 1.0 -20.0 15.0 2
assign (resid 27 and name C1')
(resid 27 and name C2')
(resid 27 and name C3')
(resid 27 and name C4') 1.0 35.0 15.0 2
assign (resid 27 and name c5') (resid 27 and name c4')
(resid 27 and name c3') (resid 27 and name o3') 1.0 80.0 25.0 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
!backbone alpha
assign (resid 26 and name O3') (resid 27 and name P )
(resid 27 and name O5') (resid 27 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 27 and name P ) (resid 27 and name O5')
(resid 27 and name C5') (resid 27 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 27 and name O5') (resid 27 and name C5')
(resid 27 and name C4') (resid 27 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 27 and name C4') (resid 27 and name C3')
(resid 27 and name O3') (resid 28 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 27 and name C3') (resid 27 and name O3')
(resid 28 and name P ) (resid 28 and name O5') 1.0 -70.0 50.0 2
!
! G7
!assign (resid 28 and name O4')
! (resid 28 and name C1')
! (resid 28 and name C2')
! (resid 28 and name C3') 1.0 -20.0 15.0 2
!assign (resid 28 and name C1')
! (resid 28 and name C2')
! (resid 28 and name C3')
! (resid 28 and name C4') 1.0 35.0 15.0 2
!assign (resid 28 and name c5') (resid 28 and name c4')
! (resid 28 and name c3') (resid 28 and name o3') 1.0 80.0 25.0 2
!assign (resid 28 and name O4') (resid 28 and name C1')
! (resid 28 and name N9 ) (resid 28 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
!assign (resid 27 and name O3') (resid 28 and name P )
! (resid 28 and name O5') (resid 28 and name C5') 1.0 -60.0 40.0 2
!backbone beta
!assign (resid 28 and name P ) (resid 28 and name O5')
! (resid 28 and name C5') (resid 28 and name C4') 1.0 180.0 50.0 2
!backbone gama
!assign (resid 28 and name O5') (resid 28 and name C5')
! (resid 28 and name C4') (resid 28 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
!assign (resid 28 and name C4') (resid 28 and name C3')
! (resid 28 and name O3') (resid 29 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
!assign (resid 28 and name C3') (resid 28 and name O3')
! (resid 29 and name P ) (resid 29 and name O5') 1.0 -70.0 50.0 2
!
! C25
!assign (resid 46 and name O4')
! (resid 46 and name C1')
! (resid 46 and name C2')
! (resid 46 and name C3') 1.0 -20.0 15.0 2
!assign (resid 46 and name C1')
! (resid 46 and name C2')
! (resid 46 and name C3')
! (resid 46 and name C4') 1.0 35.0 15.0 2
!assign (resid 46 and name c5') (resid 46 and name c4')
! (resid 46 and name c3') (resid 46 and name o3') 1.0 80.0 25.0 2
!assign (resid 46 and name O4') (resid 46 and name C1')
! (resid 46 and name N1 ) (resid 46 and name C2 ) 1.0 -150.0 90.0 2
!backbone alpha
!assign (resid 45 and name O3') (resid 46 and name P )
! (resid 46 and name O5') (resid 46 and name C5') 1.0 -60.0 40.0 2
!backbone beta
!assign (resid 25 and name P ) (resid 25 and name O5')
! (resid 25 and name C5') (resid 25 and name C4') 1.0 180.0 50.0 2
!backbone gama
!assign (resid 25 and name O5') (resid 25 and name C5')
! (resid 25 and name C4') (resid 25 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
!assign (resid 25 and name C4') (resid 25 and name C3')
! (resid 25 and name O3') (resid 26 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
!assign (resid 25 and name C3') (resid 25 and name O3')
! (resid 26 and name P ) (resid 26 and name O5') 1.0 -70.0 50.0 2
!
! A26
assign (resid 47 and name O4')
(resid 47 and name C1')
(resid 47 and name C2')
(resid 47 and name C3') 1.0 -20.0 15.0 2
assign (resid 47 and name C1')
(resid 47 and name C2')
(resid 47 and name C3')
(resid 47 and name C4') 1.0 35.0 15.0 2
assign (resid 47 and name c5') (resid 47 and name c4')
(resid 47 and name c3') (resid 47 and name o3') 1.0 80.0 25.0 2
assign (resid 47 and name O4') (resid 47 and name C1')
(resid 47 and name N9 ) (resid 47 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 46 and name O3') (resid 47 and name P )
(resid 47 and name O5') (resid 47 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 47 and name P ) (resid 47 and name O5')
(resid 47 and name C5') (resid 47 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 47 and name O5') (resid 47 and name C5')
(resid 47 and name C4') (resid 47 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 47 and name C4') (resid 47 and name C3')
(resid 47 and name O3') (resid 48 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 47 and name C3') (resid 47 and name O3')
(resid 48 and name P ) (resid 48 and name O5') 1.0 -70.0 50.0 2
!
! A27
assign (resid 48 and name O4')
(resid 48 and name C1')
(resid 48 and name C2')
(resid 48 and name C3') 1.0 -20.0 15.0 2
assign (resid 48 and name C1')
(resid 48 and name C2')
(resid 48 and name C3')
(resid 48 and name C4') 1.0 35.0 15.0 2
assign (resid 48 and name c5') (resid 48 and name c4')
(resid 48 and name c3') (resid 48 and name o3') 1.0 80.0 25.0 2
assign (resid 48 and name O4') (resid 48 and name C1')
(resid 48 and name N9 ) (resid 48 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 47 and name O3') (resid 48 and name P )
(resid 48 and name O5') (resid 48 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 48 and name P ) (resid 48 and name O5')
(resid 48 and name C5') (resid 48 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 48 and name O5') (resid 48 and name C5')
(resid 48 and name C4') (resid 48 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 48 and name C4') (resid 48 and name C3')
(resid 48 and name O3') (resid 49 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 48 and name C3') (resid 48 and name O3')
(resid 49 and name P ) (resid 49 and name O5') 1.0 -70.0 50.0 2
!
! C28
assign (resid 49 and name O4')
(resid 49 and name C1')
(resid 49 and name C2')
(resid 49 and name C3') 1.0 -20.0 15.0 2
assign (resid 49 and name C1')
(resid 49 and name C2')
(resid 49 and name C3')
(resid 49 and name C4') 1.0 35.0 15.0 2
assign (resid 49 and name c5') (resid 49 and name c4')
(resid 49 and name c3') (resid 49 and name o3') 1.0 80.0 25.0 2
assign (resid 49 and name O4') (resid 49 and name C1')
(resid 49 and name N1 ) (resid 49 and name C2 ) 1.0 -150.0 90.0 2
!backbone alpha
assign (resid 48 and name O3') (resid 49 and name P )
(resid 49 and name O5') (resid 49 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 49 and name P ) (resid 49 and name O5')
(resid 49 and name C5') (resid 49 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 49 and name O5') (resid 49 and name C5')
(resid 49 and name C4') (resid 49 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 49 and name C4') (resid 49 and name C3')
(resid 49 and name O3') (resid 50 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 49 and name C3') (resid 49 and name O3')
(resid 50 and name P ) (resid 50 and name O5') 1.0 -70.0 50.0 2
!
! A29
assign (resid 50 and name O4')
(resid 50 and name C1')
(resid 50 and name C2')
(resid 50 and name C3') 1.0 -20.0 15.0 2
assign (resid 50 and name C1')
(resid 50 and name C2')
(resid 50 and name C3')
(resid 50 and name C4') 1.0 35.0 15.0 2
assign (resid 50 and name c5') (resid 50 and name c4')
(resid 50 and name c3') (resid 50 and name o3') 1.0 80.0 25.0 2
assign (resid 50 and name O4') (resid 50 and name C1')
(resid 50 and name N9 ) (resid 50 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 49 and name O3') (resid 50 and name P )
(resid 50 and name O5') (resid 50 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 50 and name P ) (resid 50 and name O5')
(resid 50 and name C5') (resid 50 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 50 and name O5') (resid 50 and name C5')
(resid 50 and name C4') (resid 50 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 50 and name C4') (resid 50 and name C3')
(resid 50 and name O3') (resid 51 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 50 and name C3') (resid 50 and name O3')
(resid 51 and name P ) (resid 51 and name O5') 1.0 -70.0 50.0 2
!
! C30
assign (resid 51 and name O4')
(resid 51 and name C1')
(resid 51 and name C2')
(resid 51 and name C3') 1.0 -20.0 15.0 2
assign (resid 51 and name C1')
(resid 51 and name C2')
(resid 51 and name C3')
(resid 51 and name C4') 1.0 35.0 15.0 2
assign (resid 51 and name c5') (resid 51 and name c4')
(resid 51 and name c3') (resid 51 and name o3') 1.0 80.0 25.0 2
!backbone alpha
assign (resid 50 and name O3') (resid 51 and name P )
(resid 51 and name O5') (resid 51 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 51 and name P ) (resid 51 and name O5')
(resid 51 and name C5') (resid 51 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 51 and name O5') (resid 51 and name C5')
(resid 51 and name C4') (resid 51 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 51 and name C4') (resid 51 and name C3')
(resid 51 and name O3') (resid 52 and name P ) 1.0 -160.0 50.0 2
!backbone zeta
assign (resid 51 and name C3') (resid 51 and name O3')
(resid 52 and name P ) (resid 52 and name O5') 1.0 -70.0 50.0 2
!
! C31
assign (resid 52 and name O4')
(resid 52 and name C1')
(resid 52 and name C2')
(resid 52 and name C3') 1.0 -20.0 15.0 2
assign (resid 52 and name C1')
(resid 52 and name C2')
(resid 52 and name C3')
(resid 52 and name C4') 1.0 35.0 15.0 2
assign (resid 52 and name c5') (resid 52 and name c4')
(resid 52 and name c3') (resid 52 and name o3') 1.0 80.0 25.0 2
assign (resid 52 and name O4') (resid 52 and name C1')
(resid 52 and name N1 ) (resid 52 and name C2 ) 1.0 -150.0 90.0 2
!backbone alpha
assign (resid 51 and name O3') (resid 52 and name P )
(resid 52 and name O5') (resid 52 and name C5') 1.0 -60.0 40.0 2
!backbone beta
assign (resid 52 and name P ) (resid 52 and name O5')
(resid 52 and name C5') (resid 52 and name C4') 1.0 180.0 50.0 2
!backbone gama
assign (resid 52 and name O5') (resid 52 and name C5')
(resid 52 and name C4') (resid 52 and name C3') 1.0 60.0 40.0 2
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