NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
30596 | 1d0t | cing | 2-parsed | STAR | dihedral angle | 155 |
data_1d0t_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1d0t _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1d0t 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1d0t _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1d0t "Master copy" parsed_1d0t stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1d0t _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1d0t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d0t 1 1 1d0t.mr . . XPLOR/CNS 2 distance NOE simple 313 parsed_1d0t 1 1 1d0t.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 42 parsed_1d0t 1 1 1d0t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 155 parsed_1d0t 1 1 1d0t.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d0t 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1d0t _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 1 . O4' R17S 1 . C4' R17S 1 . C3' R17S 1 . C2' parsed_1d0t 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 1 . C4' R17S 1 . C3' R17S 1 . C2' R17S 1 . C1' parsed_1d0t 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 1 . C3' R17S 1 . C2' R17S 1 . C1' R17S 1 . O4' parsed_1d0t 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 1 . C2' R17S 1 . C1' R17S 1 . O4' R17S 1 . C4' parsed_1d0t 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 1 . C1' R17S 1 . O4' R17S 1 . C4' R17S 1 . C3' parsed_1d0t 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 2 . O4' R17S 2 . C4' R17S 2 . C3' R17S 2 . C2' parsed_1d0t 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 2 . C4' R17S 2 . C3' R17S 2 . C2' R17S 2 . C1' parsed_1d0t 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 2 . C3' R17S 2 . C2' R17S 2 . C1' R17S 2 . O4' parsed_1d0t 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 2 . C2' R17S 2 . C1' R17S 2 . O4' R17S 2 . C4' parsed_1d0t 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 2 . C1' R17S 2 . O4' R17S 2 . C4' R17S 2 . C3' parsed_1d0t 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 3 . O4' R17S 3 . C4' R17S 3 . C3' R17S 3 . C2' parsed_1d0t 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 3 . C4' R17S 3 . C3' R17S 3 . C2' R17S 3 . C1' parsed_1d0t 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 3 . C3' R17S 3 . C2' R17S 3 . C1' R17S 3 . O4' parsed_1d0t 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 3 . C2' R17S 3 . C1' R17S 3 . O4' R17S 3 . C4' parsed_1d0t 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 3 . C1' R17S 3 . O4' R17S 3 . C4' R17S 3 . C3' parsed_1d0t 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 4 . O4' R17S 4 . C4' R17S 4 . C3' R17S 4 . C2' parsed_1d0t 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 4 . C4' R17S 4 . C3' R17S 4 . C2' R17S 4 . C1' parsed_1d0t 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 4 . C3' R17S 4 . C2' R17S 4 . C1' R17S 4 . O4' parsed_1d0t 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 4 . C2' R17S 4 . C1' R17S 4 . O4' R17S 4 . C4' parsed_1d0t 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 4 . C1' R17S 4 . O4' R17S 4 . C4' R17S 4 . C3' parsed_1d0t 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 5 . O4' R17S 5 . C4' R17S 5 . C3' R17S 5 . C2' parsed_1d0t 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 5 . C4' R17S 5 . C3' R17S 5 . C2' R17S 5 . C1' parsed_1d0t 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 5 . C3' R17S 5 . C2' R17S 5 . C1' R17S 5 . O4' parsed_1d0t 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 5 . C2' R17S 5 . C1' R17S 5 . O4' R17S 5 . C4' parsed_1d0t 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 5 . C1' R17S 5 . O4' R17S 5 . C4' R17S 5 . C3' parsed_1d0t 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 6 . O4' R17S 6 . C4' R17S 6 . C3' R17S 6 . C2' parsed_1d0t 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 6 . C4' R17S 6 . C3' R17S 6 . C2' R17S 6 . C1' parsed_1d0t 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 6 . C3' R17S 6 . C2' R17S 6 . C1' R17S 6 . O4' parsed_1d0t 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 6 . C2' R17S 6 . C1' R17S 6 . O4' R17S 6 . C4' parsed_1d0t 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 6 . C1' R17S 6 . O4' R17S 6 . C4' R17S 6 . C3' parsed_1d0t 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.3 36.3 . R17S 7 . O4' R17S 7 . C4' R17S 7 . C3' R17S 7 . C2' parsed_1d0t 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -31.9 . R17S 7 . C4' R17S 7 . C3' R17S 7 . C2' R17S 7 . C1' parsed_1d0t 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.9 27.9 . R17S 7 . C3' R17S 7 . C2' R17S 7 . C1' R17S 7 . O4' parsed_1d0t 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.2 -1.2 . R17S 7 . C2' R17S 7 . C1' R17S 7 . O4' R17S 7 . C4' parsed_1d0t 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.3 -15.3 . R17S 7 . C1' R17S 7 . O4' R17S 7 . C4' R17S 7 . C3' parsed_1d0t 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 8 . O4' R17S 8 . C4' R17S 8 . C3' R17S 8 . C2' parsed_1d0t 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 8 . C4' R17S 8 . C3' R17S 8 . C2' R17S 8 . C1' parsed_1d0t 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 8 . C3' R17S 8 . C2' R17S 8 . C1' R17S 8 . O4' parsed_1d0t 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 8 . C2' R17S 8 . C1' R17S 8 . O4' R17S 8 . C4' parsed_1d0t 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 8 . C1' R17S 8 . O4' R17S 8 . C4' R17S 8 . C3' parsed_1d0t 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 9 . O4' R17S 9 . C4' R17S 9 . C3' R17S 9 . C2' parsed_1d0t 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 9 . C4' R17S 9 . C3' R17S 9 . C2' R17S 9 . C1' parsed_1d0t 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 9 . C3' R17S 9 . C2' R17S 9 . C1' R17S 9 . O4' parsed_1d0t 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 9 . C2' R17S 9 . C1' R17S 9 . O4' R17S 9 . C4' parsed_1d0t 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 9 . C1' R17S 9 . O4' R17S 9 . C4' R17S 9 . C3' parsed_1d0t 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 10 . O4' R17S 10 . C4' R17S 10 . C3' R17S 10 . C2' parsed_1d0t 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 10 . C4' R17S 10 . C3' R17S 10 . C2' R17S 10 . C1' parsed_1d0t 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 10 . C3' R17S 10 . C2' R17S 10 . C1' R17S 10 . O4' parsed_1d0t 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 10 . C2' R17S 10 . C1' R17S 10 . O4' R17S 10 . C4' parsed_1d0t 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 10 . C1' R17S 10 . O4' R17S 10 . C4' R17S 10 . C3' parsed_1d0t 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.3 36.3 . R17S 11 . O4' R17S 11 . C4' R17S 11 . C3' R17S 11 . C2' parsed_1d0t 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -31.9 . R17S 11 . C4' R17S 11 . C3' R17S 11 . C2' R17S 11 . C1' parsed_1d0t 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.9 27.9 . R17S 11 . C3' R17S 11 . C2' R17S 11 . C1' R17S 11 . O4' parsed_1d0t 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.2 -1.2 . R17S 11 . C2' R17S 11 . C1' R17S 11 . O4' R17S 11 . C4' parsed_1d0t 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.3 -15.3 . R17S 11 . C1' R17S 11 . O4' R17S 11 . C4' R17S 11 . C3' parsed_1d0t 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.3 36.3 . R17S 12 . O4' R17S 12 . C4' R17S 12 . C3' R17S 12 . C2' parsed_1d0t 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -31.9 . R17S 12 . C4' R17S 12 . C3' R17S 12 . C2' R17S 12 . C1' parsed_1d0t 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.9 27.9 . R17S 12 . C3' R17S 12 . C2' R17S 12 . C1' R17S 12 . O4' parsed_1d0t 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.2 -1.2 . R17S 12 . C2' R17S 12 . C1' R17S 12 . O4' R17S 12 . C4' parsed_1d0t 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.3 -15.3 . R17S 12 . C1' R17S 12 . O4' R17S 12 . C4' R17S 12 . C3' parsed_1d0t 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.5 36.5 . R17S 13 . O4' R17S 13 . C4' R17S 13 . C3' R17S 13 . C2' parsed_1d0t 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.8 40.2 . R17S 13 . C4' R17S 13 . C3' R17S 13 . C2' R17S 13 . C1' parsed_1d0t 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 28.5 . R17S 13 . C3' R17S 13 . C2' R17S 13 . C1' R17S 13 . O4' parsed_1d0t 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.4 6.6 . R17S 13 . C2' R17S 13 . C1' R17S 13 . O4' R17S 13 . C4' parsed_1d0t 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.8 24.2 . R17S 13 . C1' R17S 13 . O4' R17S 13 . C4' R17S 13 . C3' parsed_1d0t 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 14 . O4' R17S 14 . C4' R17S 14 . C3' R17S 14 . C2' parsed_1d0t 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 14 . C4' R17S 14 . C3' R17S 14 . C2' R17S 14 . C1' parsed_1d0t 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 14 . C3' R17S 14 . C2' R17S 14 . C1' R17S 14 . O4' parsed_1d0t 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 14 . C2' R17S 14 . C1' R17S 14 . O4' R17S 14 . C4' parsed_1d0t 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 14 . C1' R17S 14 . O4' R17S 14 . C4' R17S 14 . C3' parsed_1d0t 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 15 . O4' R17S 15 . C4' R17S 15 . C3' R17S 15 . C2' parsed_1d0t 1 72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 15 . C4' R17S 15 . C3' R17S 15 . C2' R17S 15 . C1' parsed_1d0t 1 73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 15 . C3' R17S 15 . C2' R17S 15 . C1' R17S 15 . O4' parsed_1d0t 1 74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 15 . C2' R17S 15 . C1' R17S 15 . O4' R17S 15 . C4' parsed_1d0t 1 75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 15 . C1' R17S 15 . O4' R17S 15 . C4' R17S 15 . C3' parsed_1d0t 1 76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 16 . O4' R17S 16 . C4' R17S 16 . C3' R17S 16 . C2' parsed_1d0t 1 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 16 . C4' R17S 16 . C3' R17S 16 . C2' R17S 16 . C1' parsed_1d0t 1 78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 16 . C3' R17S 16 . C2' R17S 16 . C1' R17S 16 . O4' parsed_1d0t 1 79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 16 . C2' R17S 16 . C1' R17S 16 . O4' R17S 16 . C4' parsed_1d0t 1 80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 16 . C1' R17S 16 . O4' R17S 16 . C4' R17S 16 . C3' parsed_1d0t 1 81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 17 . O4' R17S 17 . C4' R17S 17 . C3' R17S 17 . C2' parsed_1d0t 1 82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 17 . C4' R17S 17 . C3' R17S 17 . C2' R17S 17 . C1' parsed_1d0t 1 83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 17 . C3' R17S 17 . C2' R17S 17 . C1' R17S 17 . O4' parsed_1d0t 1 84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 17 . C2' R17S 17 . C1' R17S 17 . O4' R17S 17 . C4' parsed_1d0t 1 85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 17 . C1' R17S 17 . O4' R17S 17 . C4' R17S 17 . C3' parsed_1d0t 1 86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 18 . O4' R17S 18 . C4' R17S 18 . C3' R17S 18 . C2' parsed_1d0t 1 87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 18 . C4' R17S 18 . C3' R17S 18 . C2' R17S 18 . C1' parsed_1d0t 1 88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 18 . C3' R17S 18 . C2' R17S 18 . C1' R17S 18 . O4' parsed_1d0t 1 89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 18 . C2' R17S 18 . C1' R17S 18 . O4' R17S 18 . C4' parsed_1d0t 1 90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 18 . C1' R17S 18 . O4' R17S 18 . C4' R17S 18 . C3' parsed_1d0t 1 91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 19 . O4' R17S 19 . C4' R17S 19 . C3' R17S 19 . C2' parsed_1d0t 1 92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 19 . C4' R17S 19 . C3' R17S 19 . C2' R17S 19 . C1' parsed_1d0t 1 93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 19 . C3' R17S 19 . C2' R17S 19 . C1' R17S 19 . O4' parsed_1d0t 1 94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 19 . C2' R17S 19 . C1' R17S 19 . O4' R17S 19 . C4' parsed_1d0t 1 95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 19 . C1' R17S 19 . O4' R17S 19 . C4' R17S 19 . C3' parsed_1d0t 1 96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 20 . O4' R17S 20 . C4' R17S 20 . C3' R17S 20 . C2' parsed_1d0t 1 97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 20 . C4' R17S 20 . C3' R17S 20 . C2' R17S 20 . C1' parsed_1d0t 1 98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 20 . C3' R17S 20 . C2' R17S 20 . C1' R17S 20 . O4' parsed_1d0t 1 99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 20 . C2' R17S 20 . C1' R17S 20 . O4' R17S 20 . C4' parsed_1d0t 1 100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 20 . C1' R17S 20 . O4' R17S 20 . C4' R17S 20 . C3' parsed_1d0t 1 101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 21 . O4' R17S 21 . C4' R17S 21 . C3' R17S 21 . C2' parsed_1d0t 1 102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 21 . C4' R17S 21 . C3' R17S 21 . C2' R17S 21 . C1' parsed_1d0t 1 103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 21 . C3' R17S 21 . C2' R17S 21 . C1' R17S 21 . O4' parsed_1d0t 1 104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 21 . C2' R17S 21 . C1' R17S 21 . O4' R17S 21 . C4' parsed_1d0t 1 105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 21 . C1' R17S 21 . O4' R17S 21 . C4' R17S 21 . C3' parsed_1d0t 1 106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 2 . P R17S 2 . O5' R17S 2 . C5' R17S 2 . C4' parsed_1d0t 1 107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 3 . P R17S 3 . O5' R17S 3 . C5' R17S 3 . C4' parsed_1d0t 1 108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 15 . P R17S 15 . O5' R17S 15 . C5' R17S 15 . C4' parsed_1d0t 1 109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 16 . P R17S 16 . O5' R17S 16 . C5' R17S 16 . C4' parsed_1d0t 1 110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 19 . P R17S 19 . O5' R17S 19 . C5' R17S 19 . C4' parsed_1d0t 1 111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 20 . P R17S 20 . O5' R17S 20 . C5' R17S 20 . C4' parsed_1d0t 1 112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 21 . P R17S 21 . O5' R17S 21 . C5' R17S 21 . C4' parsed_1d0t 1 113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . R17S 5 . O5' R17S 5 . C5' R17S 5 . C4' R17S 5 . C3' parsed_1d0t 1 114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 1 . C4' R17S 1 . C3' R17S 1 . O3' R17S 2 . P parsed_1d0t 1 115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 2 . C4' R17S 2 . C3' R17S 2 . O3' R17S 3 . P parsed_1d0t 1 116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 3 . C4' R17S 3 . C3' R17S 3 . O3' R17S 4 . P parsed_1d0t 1 117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 4 . C4' R17S 4 . C3' R17S 4 . O3' R17S 5 . P parsed_1d0t 1 118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 5 . C4' R17S 5 . C3' R17S 5 . O3' R17S 6 . P parsed_1d0t 1 119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 6 . C4' R17S 6 . C3' R17S 6 . O3' R17S 7 . P parsed_1d0t 1 120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 7 . C4' R17S 7 . C3' R17S 7 . O3' R17S 8 . P parsed_1d0t 1 121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 8 . C4' R17S 8 . C3' R17S 8 . O3' R17S 9 . P parsed_1d0t 1 122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 9 . C4' R17S 9 . C3' R17S 9 . O3' R17S 10 . P parsed_1d0t 1 123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 10 . C4' R17S 10 . C3' R17S 10 . O3' R17S 11 . P parsed_1d0t 1 124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 11 . C4' R17S 11 . C3' R17S 11 . O3' R17S 12 . P parsed_1d0t 1 125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -75.0 . R17S 12 . C4' R17S 12 . C3' R17S 12 . O3' R17S 13 . P parsed_1d0t 1 126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 13 . C4' R17S 13 . C3' R17S 13 . O3' R17S 14 . P parsed_1d0t 1 127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 14 . C4' R17S 14 . C3' R17S 14 . O3' R17S 15 . P parsed_1d0t 1 128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 15 . C4' R17S 15 . C3' R17S 15 . O3' R17S 16 . P parsed_1d0t 1 129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 16 . C4' R17S 16 . C3' R17S 16 . O3' R17S 17 . P parsed_1d0t 1 130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 17 . C4' R17S 17 . C3' R17S 17 . O3' R17S 18 . P parsed_1d0t 1 131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 18 . C4' R17S 18 . C3' R17S 18 . O3' R17S 19 . P parsed_1d0t 1 132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 19 . C4' R17S 19 . C3' R17S 19 . O3' R17S 20 . P parsed_1d0t 1 133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 20 . C4' R17S 20 . C3' R17S 20 . O3' R17S 21 . P parsed_1d0t 1 134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 1 . O3' R17S 2 . P R17S 2 . O5' R17S 2 . C5' parsed_1d0t 1 135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 2 . O3' R17S 3 . P R17S 3 . O5' R17S 3 . C5' parsed_1d0t 1 136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 3 . O3' R17S 4 . P R17S 4 . O5' R17S 4 . C5' parsed_1d0t 1 137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 4 . O3' R17S 5 . P R17S 5 . O5' R17S 5 . C5' parsed_1d0t 1 138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 5 . O3' R17S 6 . P R17S 6 . O5' R17S 6 . C5' parsed_1d0t 1 139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 8 . O3' R17S 9 . P R17S 9 . O5' R17S 9 . C5' parsed_1d0t 1 140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 14 . O3' R17S 15 . P R17S 15 . O5' R17S 15 . C5' parsed_1d0t 1 141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 17 . O3' R17S 18 . P R17S 18 . O5' R17S 18 . C5' parsed_1d0t 1 142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 18 . O3' R17S 19 . P R17S 19 . O5' R17S 19 . C5' parsed_1d0t 1 143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 19 . O3' R17S 20 . P R17S 20 . O5' R17S 20 . C5' parsed_1d0t 1 144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 20 . O3' R17S 21 . P R17S 21 . O5' R17S 21 . C5' parsed_1d0t 1 145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 1 . C3' R17S 1 . O3' R17S 2 . P R17S 2 . O5' parsed_1d0t 1 146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 2 . C3' R17S 2 . O3' R17S 3 . P R17S 3 . O5' parsed_1d0t 1 147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 3 . C3' R17S 3 . O3' R17S 4 . P R17S 4 . O5' parsed_1d0t 1 148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 4 . C3' R17S 4 . O3' R17S 5 . P R17S 5 . O5' parsed_1d0t 1 149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 5 . C3' R17S 5 . O3' R17S 6 . P R17S 6 . O5' parsed_1d0t 1 150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 8 . C3' R17S 8 . O3' R17S 9 . P R17S 9 . O5' parsed_1d0t 1 151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 14 . C3' R17S 14 . O3' R17S 15 . P R17S 15 . O5' parsed_1d0t 1 152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 17 . C3' R17S 17 . O3' R17S 18 . P R17S 18 . O5' parsed_1d0t 1 153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 18 . C3' R17S 18 . O3' R17S 19 . P R17S 19 . O5' parsed_1d0t 1 154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 19 . C3' R17S 19 . O3' R17S 20 . P R17S 20 . O5' parsed_1d0t 1 155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 20 . C3' R17S 20 . O3' R17S 21 . P R17S 21 . O5' parsed_1d0t 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; ******************************************************************** sugar pucker constraints (A7 is c2'-endo) ******************************************************************** G1 - 3' endo ; 1 1 8 3 parsed_1d0t 1 2 "G2 - 3' endo" 29 1 31 3 parsed_1d0t 1 3 "G3 - 3' endo" 52 1 54 3 parsed_1d0t 1 4 "A4 - 3' endo" 75 1 77 3 parsed_1d0t 1 5 "U5 - 3' endo" 98 1 100 3 parsed_1d0t 1 6 "C6 - 3' endo" 121 1 123 3 parsed_1d0t 1 7 "A7 - exchanging but 2'-endo here" 144 1 146 3 parsed_1d0t 1 8 "C8 - 3' endo" 167 1 169 3 parsed_1d0t 1 9 "C9 - 3' endo" 190 1 192 3 parsed_1d0t 1 10 "A10 - 3' endo" 213 1 215 3 parsed_1d0t 1 11 "U11 - 2' endo" 236 1 238 3 parsed_1d0t 1 12 "U12 - 2' endo" 259 1 261 3 parsed_1d0t 1 13 "A13 - exchanging" 282 1 284 3 parsed_1d0t 1 14 "G14 - 3' endo" 305 1 307 3 parsed_1d0t 1 15 "G15 - 3' endo" 328 1 330 3 parsed_1d0t 1 16 "G16 - 3' endo" 351 1 353 3 parsed_1d0t 1 17 "A17 - 3' endo" 374 1 376 3 parsed_1d0t 1 18 "U18 - 3' endo" 397 1 399 3 parsed_1d0t 1 19 "C19 - 3' endo" 420 1 422 3 parsed_1d0t 1 20 "U20 - 3' endo" 443 1 445 3 parsed_1d0t 1 21 "C21 - 3' endo (major conformation)" 466 1 468 3 parsed_1d0t 1 22 ; backbone constraints for the thio-R17 hairpin **************************************************************************** beta **************************************************************************** G1 - no 5' phosphate G2 (definitely no H5'/H5'' peak in HetCor 120) ; 489 1 502 3 parsed_1d0t 1 23 "G3 (definitely no H5'/H5'' peak in HetCor 120)" 507 1 509 3 parsed_1d0t 1 24 ; A4 ? U5 (H5' is overlapped in HetCor 120) C6 (H5' is overlapped in HetCor 120) A7 (definite H5',H5'' peaks in HetCor 120) C8 (definite of H5'/H5'' peak in HetCor 120) C9 (weak H5' peak in HetCor 120) A10 (can *barely* make out H5'/H5'' peaks in noise of HetCor 120) U11 (definite H5' peak in HetCor 120) U12 (strong H5'/H5' peak in HetCor 120) A13 (definite H5',H5'' peaks in HetCor 120) G14 (definite H5',H5'' peaks in HetCor 120) G15 (definitely no H5'/H5'' peak in HetCor 120) ; 514 1 538 3 parsed_1d0t 1 25 "G16 (definitely no H5'/H5'' peak in HetCor 120)" 543 1 545 3 parsed_1d0t 1 26 ; A17 (definite H5' peak in HetCor 120) U18 (H5' peak is overlapped in HetCor 120) C19 (definitely no H5'/H5'' peak in HetCor 120) ; 550 1 556 3 parsed_1d0t 1 27 "U20 (definitely no H5'/H5'' peak in HetCor 120)" 561 1 563 3 parsed_1d0t 1 28 "C21 (definitely no H5'/H5'' peak in HetCor 120, P-C4' 9-12 Hz)" 568 1 570 3 parsed_1d0t 1 29 ; **************************************************************************** gamma **************************************************************************** G1 (doesn't really matter) G2 ? G3 ? A4 ? U5 (definitely no H4'-H5'/H5'' peaks in DQF-COSY) ; 575 1 592 3 parsed_1d0t 1 30 ; C6 (definitely no H4'-H5'/H5'' peaks in DQF-COSY, but unequal H4'-H5'/H5" peaks in 80 ms 3D NOESY) A7 ? C8 ? C9 ? A10 ? U11 (weak H4'-H5' peak in DQF-COSY, unequal H4'-H5'/H5" peaks in 80 ms 3D NOESY) U12 (definite H4'-H5'/H5'' peak 6-7 Hz in DQF-COSY) A13 (definite H4'-H5'' peak 5-6 Hz in DQF-COSY) G14 (definitely no H4'-H5'/H5'' peaks in DQF-COSY, but unequal H4'-H5'/H5" peaks in 80 ms 3D NOESY) G15 ? G16 ? A17 ? U18 ? C19 ? U20 ? C21 ? **************************************************************************** epsilon **************************************************************************** G1 (trans) ; 597 1 641 3 parsed_1d0t 1 31 "G2 (trans)" 646 1 648 3 parsed_1d0t 1 32 "G3 (unsure)" 653 1 655 3 parsed_1d0t 1 33 "A4 (unsure)" 660 1 662 3 parsed_1d0t 1 34 "U5 (trans)" 667 1 669 3 parsed_1d0t 1 35 "C6 (trans by C2'-P, but C4'-P... ?)" 674 1 676 3 parsed_1d0t 1 36 "A7 (unsure)" 681 1 683 3 parsed_1d0t 1 37 "C8 (unsure)" 688 1 690 3 parsed_1d0t 1 38 "C9 (trans)" 695 1 697 3 parsed_1d0t 1 39 "A10 (unsure)" 702 1 704 3 parsed_1d0t 1 40 "U11 (unsure- might be switching)" 709 1 711 3 parsed_1d0t 1 41 "U12 (gauche-)" 716 1 718 3 parsed_1d0t 1 42 "A13 (unsure)" 723 1 725 3 parsed_1d0t 1 43 "G14 (trans)" 730 1 732 3 parsed_1d0t 1 44 "G15 (trans)" 737 1 739 3 parsed_1d0t 1 45 "G16 (trans)" 744 1 746 3 parsed_1d0t 1 46 "A17 (unsure)" 751 1 753 3 parsed_1d0t 1 47 "U18 (unsure)" 758 1 760 3 parsed_1d0t 1 48 "C19 (trans)" 765 1 767 3 parsed_1d0t 1 49 "U20 (trans)" 772 1 774 3 parsed_1d0t 1 50 ; C21 (no constraint: no 3' phosphate in molecular model) **************************************************************************** alpha **************************************************************************** note: since all P31 shifts cluster together, alpha and zeta are being constrained to exclude the trans conformation G1 (no constraint: no 5' phosphate in molecular model) G2 ; 779 1 794 3 parsed_1d0t 1 51 G3 799 1 801 3 parsed_1d0t 1 52 A4 806 1 808 3 parsed_1d0t 1 53 U5 813 1 815 3 parsed_1d0t 1 54 C6 820 1 822 3 parsed_1d0t 1 55 ; A7 C8 C9 ; 827 1 833 3 parsed_1d0t 1 56 ; A10 U11 U12 A13 G14 G15 ; 838 1 850 3 parsed_1d0t 1 57 ; G16 A17 U18 ; 855 1 861 3 parsed_1d0t 1 58 C19 866 1 868 3 parsed_1d0t 1 59 C20 873 1 875 3 parsed_1d0t 1 60 C21 880 1 882 3 parsed_1d0t 1 61 ; **************************************************************************** zeta **************************************************************************** note: since all P31 shifts cluster together, alpha and zeta are being constrained to within exclude the trans conformation G1 ; 887 1 898 3 parsed_1d0t 1 62 G2 903 1 905 3 parsed_1d0t 1 63 G3 910 1 912 3 parsed_1d0t 1 64 A4 917 1 919 3 parsed_1d0t 1 65 U5 924 1 926 3 parsed_1d0t 1 66 ; C6 A7 C8 ; 931 1 937 3 parsed_1d0t 1 67 ; C9 A10 U11 U12 A13 G14 ; 942 1 954 3 parsed_1d0t 1 68 ; G15 G16 A17 ; 959 1 965 3 parsed_1d0t 1 69 U18 970 1 972 3 parsed_1d0t 1 70 C19 977 1 979 3 parsed_1d0t 1 71 C20 984 1 986 3 parsed_1d0t 1 72 "C21 (no constraint: no 3' phosphate in molecular model)" 991 1 993 3 parsed_1d0t 1 stop_ save_
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