NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519514 | 2ldt | 17682 | cing | 1-original | 6 | XPLOR/CNS | dihedral angle |
! ! ! Torsion angle restraints for the xhi torsion angle in the ! GZ33 - Theophylline RNA complex. ! ! Xhi is defined as follows... ! Purines = O4'-C1'-N9-C4 ! Pyrimidines = O4'-C1'-N1-C2 ! Anti: ! Xhi = 180.0 +/- 90.0 ! including high-anti and excluding high-syn: ! Xhi = -150.0 +/- 90.0 ! Syn: ! Xhi = 0.0 +/- 90.0 ! See Saenger page 22. ! ! There are no syn bases in the GZ33-Theophylline complex. ! No large H1'-Haro nOes were observed, and large H3'-Haro ! (or H2'-Haro) were observed for all nucleotides. ! assign (resid 1 and name O4') (resid 1 and name C1') (resid 1 and name N9 ) (resid 1 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 2 and name O4') (resid 2 and name C1') (resid 2 and name N9 ) (resid 2 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 3 and name O4') (resid 3 and name C1') (resid 3 and name N1 ) (resid 3 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 4 and name O4') (resid 4 and name C1') (resid 4 and name N9 ) (resid 4 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 5 and name O4') (resid 5 and name C1') (resid 5 and name N9 ) (resid 5 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 6 and name O4') (resid 6 and name C1') (resid 6 and name N1 ) (resid 6 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 7 and name O4') (resid 7 and name C1') (resid 7 and name N9 ) (resid 7 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 8 and name O4') (resid 8 and name C1') (resid 8 and name N1 ) (resid 8 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 9 and name O4') (resid 9 and name C1') (resid 9 and name N1 ) (resid 9 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 10 and name O4') (resid 10 and name C1') (resid 10 and name N9 ) (resid 10 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 11 and name O4') (resid 11 and name C1') (resid 11 and name N9 ) (resid 11 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 12 and name O4') (resid 12 and name C1') (resid 12 and name N1 ) (resid 12 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 13 and name O4') (resid 13 and name C1') (resid 13 and name N1 ) (resid 13 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 14 and name O4') (resid 14 and name C1') (resid 14 and name N9 ) (resid 14 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 15 and name O4') (resid 15 and name C1') (resid 15 and name N9 ) (resid 15 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 16 and name O4') (resid 16 and name C1') (resid 16 and name N9 ) (resid 16 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 17 and name O4') (resid 17 and name C1') (resid 17 and name N9 ) (resid 17 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 18 and name O4') (resid 18 and name C1') (resid 18 and name N9 ) (resid 18 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 19 and name O4') (resid 19 and name C1') (resid 19 and name N9 ) (resid 19 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 20 and name O4') (resid 20 and name C1') (resid 20 and name N1 ) (resid 20 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 21 and name O4') (resid 21 and name C1') (resid 21 and name N1 ) (resid 21 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 22 and name O4') (resid 22 and name C1') (resid 22 and name N1 ) (resid 22 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 23 and name O4') (resid 23 and name C1') (resid 23 and name N1 ) (resid 23 and name C2 ) 1.0 -150.0 90.0 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 assign (resid 25 and name O4') (resid 25 and name C1') (resid 25 and name N9 ) (resid 25 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 26 and name O4') (resid 26 and name C1') (resid 26 and name N9 ) (resid 26 and name C4 ) 1.0 -150.0 90.0 2 ! Cyt 27 left unrestrained ( likely averaged ). assign (resid 28 and name O4') (resid 28 and name C1') (resid 28 and name N9 ) (resid 28 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 29 and name O4') (resid 29 and name C1') (resid 29 and name N9 ) (resid 29 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 30 and name O4') (resid 30 and name C1') (resid 30 and name N1 ) (resid 30 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 31 and name O4') (resid 31 and name C1') (resid 31 and name N9 ) (resid 31 and name C4 ) 1.0 -150.0 90.0 2 assign (resid 32 and name O4') (resid 32 and name C1') (resid 32 and name N1 ) (resid 32 and name C2 ) 1.0 -150.0 90.0 2 assign (resid 33 and name O4') (resid 33 and name C1') (resid 33 and name N1 ) (resid 33 and name C2 ) 1.0 -150.0 90.0 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 !DNA !dihedral restraints on epsilon, zeta, alpha, beta !!1 assign (resid 1 and name c4') (resid 1 and name c3') (resid 1 and name o3') (resid 2 and name p ) 1.0 -160.0 50.0 2 assign (resid 1 and name c3') (resid 1 and name o3') (resid 2 and name p ) (resid 2 and name o5') 1.0 -70.0 50.0 2 !!2 assign (resid 1 and name o3') (resid 2 and name p ) (resid 2 and name o5') (resid 2 and name c5') 1.0 -60.0 40.0 2 assign (resid 2 and name p ) (resid 2 and name o5') (resid 2 and name c5') (resid 2 and name c4') 1.0 180.0 50.0 2 assign (resid 2 and name c4') (resid 2 and name c3') (resid 2 and name o3') (resid 3 and name p ) 1.0 -160.0 50.0 2 assign (resid 2 and name c3') (resid 2 and name o3') (resid 3 and name p ) (resid 3 and name o5') 1.0 -70.0 50.0 2 !!3 assign (resid 2 and name o3') (resid 3 and name p ) (resid 3 and name o5') (resid 3 and name c5') 1.0 -60.0 40.0 2 assign (resid 3 and name p ) (resid 3 and name o5') (resid 3 and name c5') (resid 3 and name c4') 1.0 180.0 50.0 2 assign (resid 3 and name c4') (resid 3 and name c3') (resid 3 and name o3') (resid 4 and name p ) 1.0 -160.0 50.0 2 assign (resid 3 and name c3') (resid 3 and name o3') (resid 4 and name p ) (resid 4 and name o5') 1.0 -70.0 50.0 2 !!4 assign (resid 3 and name o3') (resid 4 and name p ) (resid 4 and name o5') (resid 4 and name c5') 1.0 -60.0 40.0 2 assign (resid 4 and name p ) (resid 4 and name o5') (resid 4 and name c5') (resid 4 and name c4') 1.0 180.0 50.0 2 assign (resid 4 and name c4') (resid 4 and name c3') (resid 4 and name o3') (resid 5 and name p ) 1.0 -160.0 50.0 2 assign (resid 4 and name c3') (resid 4 and name o3') (resid 5 and name p ) (resid 5 and name o5') 1.0 -70.0 50.0 2 !!5 assign (resid 4 and name o3') (resid 5 and name p ) (resid 5 and name o5') (resid 5 and name c5') 1.0 -60.0 40.0 2 assign (resid 5 and name p ) (resid 5 and name o5') (resid 5 and name c5') (resid 5 and name c4') 1.0 180.0 50.0 2 assign (resid 5 and name c4') (resid 5 and name c3') (resid 5 and name o3') (resid 6 and name p ) 1.0 -160.0 50.0 2 assign (resid 5 and name c3') (resid 5 and name o3') (resid 6 and name p ) (resid 6 and name o5') 1.0 -70.0 50.0 2 !!29 assign (resid 28 and name o3') (resid 29 and name p ) (resid 29 and name o5') (resid 29 and name c5') 1.0 -60.0 40.0 2 assign (resid 29 and name p ) (resid 29 and name o5') (resid 29 and name c5') (resid 29 and name c4') 1.0 180.0 50.0 2 assign (resid 29 and name c4') (resid 29 and name c3') (resid 29 and name o3') (resid 30 and name p ) 1.0 -160.0 50.0 2 assign (resid 29 and name c3') (resid 29 and name o3') (resid 30 and name p ) (resid 30 and name o5') 1.0 -70.0 50.0 2 !!30 assign (resid 29 and name o3') (resid 30 and name p ) (resid 30 and name o5') (resid 30 and name c5') 1.0 -60.0 40.0 2 assign (resid 30 and name p ) (resid 30 and name o5') (resid 30 and name c5') (resid 30 and name c4') 1.0 180.0 50.0 2 assign (resid 30 and name c4') (resid 30 and name c3') (resid 30 and name o3') (resid 31 and name p ) 1.0 -160.0 50.0 2 assign (resid 30 and name c3') (resid 30 and name o3') (resid 31 and name p ) (resid 31 and name o5') 1.0 -70.0 50.0 2 !!31 assign (resid 30 and name o3') (resid 31 and name p ) (resid 31 and name o5') (resid 31 and name c5') 1.0 -60.0 40.0 2 assign (resid 31 and name p ) (resid 31 and name o5') (resid 31 and name c5') (resid 31 and name c4') 1.0 180.0 50.0 2 assign (resid 31 and name c4') (resid 31 and name c3') (resid 31 and name o3') (resid 32 and name p ) 1.0 -160.0 50.0 2 assign (resid 31 and name c3') (resid 31 and name o3') (resid 32 and name p ) (resid 32 and name o5') 1.0 -70.0 50.0 2 !!32 assign (resid 31 and name o3') (resid 32 and name p ) (resid 32 and name o5') (resid 32 and name c5') 1.0 -60.0 40.0 2 assign (resid 32 and name p ) (resid 32 and name o5') (resid 32 and name c5') (resid 32 and name c4') 1.0 180.0 50.0 2 assign (resid 32 and name c4') (resid 32 and name c3') (resid 32 and name o3') (resid 33 and name p ) 1.0 -160.0 50.0 2 assign (resid 32 and name c3') (resid 32 and name o3') (resid 33 and name p ) (resid 33 and name o5') 1.0 -70.0 50.0 2 !!33 assign (resid 32 and name o3') (resid 33 and name p ) (resid 33 and name o5') (resid 33 and name c5') 1.0 -60.0 40.0 2 assign (resid 33 and name p ) (resid 33 and name o5') (resid 33 and name c5') (resid 33 and name c4') 1.0 180.0 50.0 2 !gamma assign (resid 1 and name o5') (resid 1 and name c5') (resid 1 and name c4') (resid 1 and name c3') 1.0 60.0 30.0 2 assign (resid 2 and name o5') (resid 2 and name c5') (resid 2 and name c4') (resid 2 and name c3') 1.0 60.0 30.0 2 assign (resid 3 and name o5') (resid 3 and name c5') (resid 3 and name c4') (resid 3 and name c3') 1.0 60.0 30.0 2 assign (resid 4 and name o5') (resid 4 and name c5') (resid 4 and name c4') (resid 4 and name c3') 1.0 60.0 30.0 2 assign (resid 5 and name o5') (resid 5 and name c5') (resid 5 and name c4') (resid 5 and name c3') 1.0 60.0 30.0 2 assign (resid 33 and name o5') (resid 33 and name c5') (resid 33 and name c4') (resid 33 and name c3') 1.0 60.0 30.0 2 assign (resid 32 and name o5') (resid 32 and name c5') (resid 32 and name c4') (resid 32 and name c3') 1.0 60.0 30.0 2 assign (resid 31 and name o5') (resid 31 and name c5') (resid 31 and name c4') (resid 31 and name c3') 1.0 60.0 30.0 2 assign (resid 30 and name o5') (resid 30 and name c5') (resid 30 and name c4') (resid 30 and name c3') 1.0 60.0 30.0 2 assign (resid 29 and name o5') (resid 29 and name c5') (resid 29 and name c4') (resid 29 and name c3') 1.0 60.0 30.0 2 ! Meredith's 888 dip_30_888.tbl ! modified from dip2rand.nawk Table; Output File: dip_70.tbl ! FractRand: 0.70; NO-Overlap ! SEED: 54001124 ! Mean ABS(Measure): 13.4789 Mean SumSquare: 225.0152 Count: 71 ! Date: Mon Jun 24 11:00:54 EDT 2002 ! Path: /net/octave1/clore/RNA_THEO/PAIRS/TEST !
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