NMR Restraints Grid |
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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