NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519513 | 2ldt | 17682 | cing | 1-original | 5 | XPLOR/CNS | dihedral angle |
! ! Torsion angle restraints for sugar pucker in the ! GZ33 - Theophylline RNA complex ! GRZ 09/17/96 ! ! 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: ! ! Ade 7 assign (resid 7 and name c5') (resid 7 and name c4') (resid 7 and name c3') (resid 7 and name o3') 1.0 145.0 20.0 2 { assign (resid 7 and name O4') (resid 7 and name C1') (resid 7 and name C2') (resid 7 and name C3') 1.0 35.0 5.0 2 assign (resid 7 and name C1') (resid 7 and name C2') (resid 7 and name C3') (resid 7 and name C4') 1.0 -35.0 5.0 2 } ! Cyt 22 { 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 5.0 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 5.0 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 ! ! Uri 23 assign (resid 23 and name c5') (resid 23 and name c4') (resid 23 and name c3') (resid 23 and name o3') 1.0 145.0 20.0 2 { assign (resid 23 and name O4') (resid 23 and name C1') (resid 23 and name C2') (resid 23 and name C3') 1.0 35.0 5.0 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 5.0 2 } ! ! Uri 24 let this one float { assign (resid 24 and name O4') (resid 24 and name C1') (resid 24 and name C2') (resid 24 and name C3') 1.0 35.0 5.0 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 5.0 2 } !assign (resid 24 and name c5') (resid 24 and name c4') ! (resid 24 and name c3') (resid 24 and name o3') 1.0 145.0 20.0 2 ! ! Gua 26 { assign (resid 26 and name O4') (resid 26 and name C1') (resid 26 and name C2') (resid 26 and name C3') 1.0 35.0 5.0 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 5.0 2 } assign (resid 26 and name c5') (resid 26 and name c4') (resid 26 and name c3') (resid 26 and name o3') 1.0 145.0 20.0 2 ! ! C3' endo nucleotides: ( everybody else ) ! ! Gua 1 { assign (resid 1 and name O4') (resid 1 and name C1') (resid 1 and name C2') (resid 1 and name C3') 1.0 -20.0 10.0 2 assign (resid 1 and name C1') (resid 1 and name C2') (resid 1 and name C3') (resid 1 and name C4') 1.0 35.0 5.0 2 } assign (resid 1 and name c5') (resid 1 and name c4') (resid 1 and name c3') (resid 1 and name o3') 1.0 80.0 20.0 2 ! ! Gua 2 { assign (resid 2 and name O4') (resid 2 and name C1') (resid 2 and name C2') (resid 2 and name C3') 1.0 -20.0 10.0 2 assign (resid 2 and name C1') (resid 2 and name C2') (resid 2 and name C3') (resid 2 and name C4') 1.0 35.0 5.0 2 } assign (resid 2 and name c5') (resid 2 and name c4') (resid 2 and name c3') (resid 2 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 3 { assign (resid 3 and name O4') (resid 3 and name C1') (resid 3 and name C2') (resid 3 and name C3') 1.0 -20.0 10.0 2 assign (resid 3 and name C1') (resid 3 and name C2') (resid 3 and name C3') (resid 3 and name C4') 1.0 35.0 5.0 2 } assign (resid 3 and name c5') (resid 3 and name c4') (resid 3 and name c3') (resid 3 and name o3') 1.0 80.0 20.0 2 ! ! Gua 4 { assign (resid 4 and name O4') (resid 4 and name C1') (resid 4 and name C2') (resid 4 and name C3') 1.0 -20.0 10.0 2 assign (resid 4 and name C1') (resid 4 and name C2') (resid 4 and name C3') (resid 4 and name C4') 1.0 35.0 5.0 2 } assign (resid 4 and name c5') (resid 4 and name c4') (resid 4 and name c3') (resid 4 and name o3') 1.0 80.0 20.0 2 ! ! Ade 5 { assign (resid 5 and name O4') (resid 5 and name C1') (resid 5 and name C2') (resid 5 and name C3') 1.0 -20.0 10.0 2 assign (resid 5 and name C1') (resid 5 and name C2') (resid 5 and name C3') (resid 5 and name C4') 1.0 35.0 5.0 2 } assign (resid 5 and name c5') (resid 5 and name c4') (resid 5 and name c3') (resid 5 and name o3') 1.0 80.0 20.0 2 ! Uri 6 { assign (resid 6 and name O4') (resid 6 and name C1') (resid 6 and name C2') (resid 6 and name C3') 1.0 -20.0 10.0 2 assign (resid 6 and name C1') (resid 6 and name C2') (resid 6 and name C3') (resid 6 and name C4') 1.0 35.0 5.0 2 } assign (resid 6 and name c5') (resid 6 and name c4') (resid 6 and name c3') (resid 6 and name o3') 1.0 80.0 20.0 2 ! ! Ade 7 is 2' endo ! ! Cyt 8 { assign (resid 8 and name O4') (resid 8 and name C1') (resid 8 and name C2') (resid 8 and name C3') 1.0 -20.0 10.0 2 assign (resid 8 and name C1') (resid 8 and name C2') (resid 8 and name C3') (resid 8 and name C4') 1.0 35.0 5.0 2 } assign (resid 8 and name c5') (resid 8 and name c4') (resid 8 and name c3') (resid 8 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 9 { assign (resid 9 and name O4') (resid 9 and name C1') (resid 9 and name C2') (resid 9 and name C3') 1.0 -20.0 10.0 2 assign (resid 9 and name C1') (resid 9 and name C2') (resid 9 and name C3') (resid 9 and name C4') 1.0 35.0 5.0 2 } assign (resid 9 and name c5') (resid 9 and name c4') (resid 9 and name c3') (resid 9 and name o3') 1.0 80.0 20.0 2 ! ! Ade 10 { assign (resid 10 and name O4') (resid 10 and name C1') (resid 10 and name C2') (resid 10 and name C3') 1.0 -20.0 10.0 2 assign (resid 10 and name C1') (resid 10 and name C2') (resid 10 and name C3') (resid 10 and name C4') 1.0 35.0 5.0 2 } assign (resid 10 and name c5') (resid 10 and name c4') (resid 10 and name c3') (resid 10 and name o3') 1.0 80.0 20.0 2 ! ! Gua 11 { assign (resid 11 and name O4') (resid 11 and name C1') (resid 11 and name C2') (resid 11 and name C3') 1.0 -20.0 10.0 2 assign (resid 11 and name C1') (resid 11 and name C2') (resid 11 and name C3') (resid 11 and name C4') 1.0 35.0 5.0 2 } assign (resid 11 and name c5') (resid 11 and name c4') (resid 11 and name c3') (resid 11 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 12 { assign (resid 12 and name O4') (resid 12 and name C1') (resid 12 and name C2') (resid 12 and name C3') 1.0 -20.0 10.0 2 assign (resid 12 and name C1') (resid 12 and name C2') (resid 12 and name C3') (resid 12 and name C4') 1.0 35.0 5.0 2 } assign (resid 12 and name c5') (resid 12 and name c4') (resid 12 and name c3') (resid 12 and name o3') 1.0 80.0 20.0 2 ! Cyt 13 { assign (resid 13 and name O4') (resid 13 and name C1') (resid 13 and name C2') (resid 13 and name C3') 1.0 -20.0 10.0 2 assign (resid 13 and name C1') (resid 13 and name C2') (resid 13 and name C3') (resid 13 and name C4') 1.0 35.0 5.0 2 } assign (resid 13 and name c5') (resid 13 and name c4') (resid 13 and name c3') (resid 13 and name o3') 1.0 80.0 20.0 2 ! ! Gua 14 { assign (resid 14 and name O4') (resid 14 and name C1') (resid 14 and name C2') (resid 14 and name C3') 1.0 -20.0 10.0 2 assign (resid 14 and name C1') (resid 14 and name C2') (resid 14 and name C3') (resid 14 and name C4') 1.0 35.0 5.0 2 } assign (resid 14 and name c5') (resid 14 and name c4') (resid 14 and name c3') (resid 14 and name o3') 1.0 80.0 20.0 2 ! ! Ade 15 { assign (resid 15 and name O4') (resid 15 and name C1') (resid 15 and name C2') (resid 15 and name C3') 1.0 -20.0 10.0 2 assign (resid 15 and name C1') (resid 15 and name C2') (resid 15 and name C3') (resid 15 and name C4') 1.0 35.0 5.0 2 } assign (resid 15 and name c5') (resid 15 and name c4') (resid 15 and name c3') (resid 15 and name o3') 1.0 80.0 20.0 2 ! ! Ade 16 { assign (resid 16 and name O4') (resid 16 and name C1') (resid 16 and name C2') (resid 16 and name C3') 1.0 -20.0 10.0 2 assign (resid 16 and name C1') (resid 16 and name C2') (resid 16 and name C3') (resid 16 and name C4') 1.0 35.0 5.0 2 } assign (resid 16 and name c5') (resid 16 and name c4') (resid 16 and name c3') (resid 16 and name o3') 1.0 80.0 20.0 2 ! Ade 17 { assign (resid 17 and name O4') (resid 17 and name C1') (resid 17 and name C2') (resid 17 and name C3') 1.0 -20.0 10.0 2 assign (resid 17 and name C1') (resid 17 and name C2') (resid 17 and name C3') (resid 17 and name C4') 1.0 35.0 5.0 2 } assign (resid 17 and name c5') (resid 17 and name c4') (resid 17 and name c3') (resid 17 and name o3') 1.0 80.0 20.0 2 ! ! Gua 18 { assign (resid 18 and name O4') (resid 18 and name C1') (resid 18 and name C2') (resid 18 and name C3') 1.0 -20.0 10.0 2 assign (resid 18 and name C1') (resid 18 and name C2') (resid 18 and name C3') (resid 18 and name C4') 1.0 35.0 5.0 2 } assign (resid 18 and name c5') (resid 18 and name c4') (resid 18 and name c3') (resid 18 and name o3') 1.0 80.0 20.0 2 ! Gua 19 { assign (resid 19 and name O4') (resid 19 and name C1') (resid 19 and name C2') (resid 19 and name C3') 1.0 -20.0 10.0 2 assign (resid 19 and name C1') (resid 19 and name C2') (resid 19 and name C3') (resid 19 and name C4') 1.0 35.0 5.0 2 } assign (resid 19 and name c5') (resid 19 and name c4') (resid 19 and name c3') (resid 19 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 20 { assign (resid 20 and name O4') (resid 20 and name C1') (resid 20 and name C2') (resid 20 and name C3') 1.0 -20.0 10.0 2 assign (resid 20 and name C1') (resid 20 and name C2') (resid 20 and name C3') (resid 20 and name C4') 1.0 35.0 5.0 2 } assign (resid 20 and name c5') (resid 20 and name c4') (resid 20 and name c3') (resid 20 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 21 { assign (resid 21 and name O4') (resid 21 and name C1') (resid 21 and name C2') (resid 21 and name C3') 1.0 -20.0 10.0 2 assign (resid 21 and name C1') (resid 21 and name C2') (resid 21 and name C3') (resid 21 and name C4') 1.0 35.0 5.0 2 } assign (resid 21 and name c5') (resid 21 and name c4') (resid 21 and name c3') (resid 21 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 22 is c2' endo ! Uri 23 is c2' endo ! Uri 24 is c2' endo ! ! Gua 25 { 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 10.0 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 5.0 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 20.0 2 ! ! Gua 26 is c2' endo ! Cyt 27 is c2' endo ! but is probably averaged. Left unrestrained ! ! Ade 28 { 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 10.0 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 5.0 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 20.0 2 ! ! Gua 29 { assign (resid 29 and name O4') (resid 29 and name C1') (resid 29 and name C2') (resid 29 and name C3') 1.0 -20.0 10.0 2 assign (resid 29 and name C1') (resid 29 and name C2') (resid 29 and name C3') (resid 29 and name C4') 1.0 35.0 5.0 2 } assign (resid 29 and name c5') (resid 29 and name c4') (resid 29 and name c3') (resid 29 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 30 { assign (resid 30 and name O4') (resid 30 and name C1') (resid 30 and name C2') (resid 30 and name C3') 1.0 -20.0 10.0 2 assign (resid 30 and name C1') (resid 30 and name C2') (resid 30 and name C3') (resid 30 and name C4') 1.0 35.0 5.0 2 } assign (resid 30 and name c5') (resid 30 and name c4') (resid 30 and name c3') (resid 30 and name o3') 1.0 80.0 20.0 2 ! ! Gua 31 { assign (resid 31 and name O4') (resid 31 and name C1') (resid 31 and name C2') (resid 31 and name C3') 1.0 -20.0 10.0 2 assign (resid 31 and name C1') (resid 31 and name C2') (resid 31 and name C3') (resid 31 and name C4') 1.0 35.0 5.0 2 } assign (resid 31 and name c5') (resid 31 and name c4') (resid 31 and name c3') (resid 31 and name o3') 1.0 80.0 20.0 2 ! ! Uri 32 { assign (resid 32 and name O4') (resid 32 and name C1') (resid 32 and name C2') (resid 32 and name C3') 1.0 -20.0 10.0 2 assign (resid 32 and name C1') (resid 32 and name C2') (resid 32 and name C3') (resid 32 and name C4') 1.0 35.0 5.0 2 } assign (resid 32 and name c5') (resid 32 and name c4') (resid 32 and name c3') (resid 32 and name o3') 1.0 80.0 20.0 2 ! ! Cyt 33 { assign (resid 33 and name O4') (resid 33 and name C1') (resid 33 and name C2') (resid 33 and name C3') 1.0 -20.0 10.0 2 assign (resid 33 and name C1') (resid 33 and name C2') (resid 33 and name C3') (resid 33 and name C4') 1.0 35.0 5.0 2 } assign (resid 33 and name c5') (resid 33 and name c4') (resid 33 and name c3') (resid 33 and name o3') 1.0 80.0 20.0 2
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