NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
28789 | 171d | cing | 2-parsed | STAR | entry | full | 120 |
data_171d_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_171d _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_171d 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_171d _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 171d "Master copy" parsed_171d stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_171d _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 171d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_171d 1 1 171d.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 120 parsed_171d 1 1 171d.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_171d 1 1 171d.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_171d 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_171d _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER DEOXYRIBONUCLEIC ACID 14-MAR-94 171D 171D 2 *COMPND DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') 171D 3 *COMPND 2 SELF-COMPLEMENTARY CONTROL DODECAMER DUPLEX 171D 4 *COMPND 3 (NMR, MINIMIZED AVERAGE STRUCTURE) 171D 5 *SOURCE SYNTHETIC 171D 6 *EXPDTA NMR 171D 7 *AUTHOR B.I.SCHWEITZER,T.MIKITA,G.W.KELLOGG,K.H.GARDNER, 171D 8 *AUTHOR 2 G.P.BEARDSLEY 171D 9 *REVDAT 1 31-JUL-94 171D 0 171D 10 remarks X-PLOR sugar dihedral restraint file for cytosine arabinoside substituted DNA remarks 5'-d(*CP*GP*CP*GP*AP*AP*TP*TP*)ara(CP*)d(GP*CP*G)-3' set message=off echo=off end !C1, G12: P = 72-100 !C3,C11: P = 110-144 !A5,A6,T7,T8: P = 120-162 !G2,G4,G10: P = 144-162 !ARA9: P = 0-70 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_171d _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_171d 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 2 . C4' . 2 . O4' . 2 . C1' . 2 . C2' parsed_171d 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_171d 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_171d 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_171d 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' parsed_171d 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' parsed_171d 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' parsed_171d 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.6 9.4 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_171d 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_171d 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 11 . C4' . 11 . O4' . 11 . C1' . 11 . C2' parsed_171d 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_171d 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_171d 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_171d 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_171d 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_171d 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_171d 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_171d 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_171d 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_171d 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.8 2.2 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_171d 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_171d 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' parsed_171d 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_171d 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_171d 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_171d 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_171d 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_171d 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_171d 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_171d 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_171d 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_171d 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.6 40.6 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_171d 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_171d 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' parsed_171d 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_171d 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_171d 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 2 . C2' . 2 . C3' . 2 . C4' . 2 . O4' parsed_171d 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_171d 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_171d 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_171d 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' parsed_171d 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' parsed_171d 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' parsed_171d 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.3 -34.3 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_171d 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_171d 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 11 . C2' . 11 . C3' . 11 . C4' . 11 . O4' parsed_171d 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_171d 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_171d 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 2 . C3' . 2 . C4' . 2 . O4' . 2 . C1' parsed_171d 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_171d 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_171d 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_171d 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 6 . C3' . 6 . C4' . 6 . O4' . 6 . C1' parsed_171d 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 7 . C3' . 7 . C4' . 7 . O4' . 7 . C1' parsed_171d 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 8 . C3' . 8 . C4' . 8 . O4' . 8 . C1' parsed_171d 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.1 39.1 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_171d 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_171d 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 11 . C3' . 11 . C4' . 11 . O4' . 11 . C1' parsed_171d 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_171d 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_171d 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 14 . C4' . 14 . O4' . 14 . C1' . 14 . C2' parsed_171d 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 15 . C4' . 15 . O4' . 15 . C1' . 15 . C2' parsed_171d 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 16 . C4' . 16 . O4' . 16 . C1' . 16 . C2' parsed_171d 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 17 . C4' . 17 . O4' . 17 . C1' . 17 . C2' parsed_171d 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 18 . C4' . 18 . O4' . 18 . C1' . 18 . C2' parsed_171d 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 19 . C4' . 19 . O4' . 19 . C1' . 19 . C2' parsed_171d 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 20 . C4' . 20 . O4' . 20 . C1' . 20 . C2' parsed_171d 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.6 9.4 . . 21 . C4' . 21 . O4' . 21 . C1' . 21 . C2' parsed_171d 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 22 . C4' . 22 . O4' . 22 . C1' . 22 . C2' parsed_171d 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 23 . C4' . 23 . O4' . 23 . C1' . 23 . C2' parsed_171d 1 72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 24 . C4' . 24 . O4' . 24 . C1' . 24 . C2' parsed_171d 1 73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_171d 1 74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_171d 1 75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 15 . O4' . 15 . C1' . 15 . C2' . 15 . C3' parsed_171d 1 76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 16 . O4' . 16 . C1' . 16 . C2' . 16 . C3' parsed_171d 1 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_171d 1 78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_171d 1 79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 19 . O4' . 19 . C1' . 19 . C2' . 19 . C3' parsed_171d 1 80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 20 . O4' . 20 . C1' . 20 . C2' . 20 . C3' parsed_171d 1 81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.8 2.2 . . 21 . O4' . 21 . C1' . 21 . C2' . 21 . C3' parsed_171d 1 82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 22 . O4' . 22 . C1' . 22 . C2' . 22 . C3' parsed_171d 1 83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 23 . O4' . 23 . C1' . 23 . C2' . 23 . C3' parsed_171d 1 84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 24 . O4' . 24 . C1' . 24 . C2' . 24 . C3' parsed_171d 1 85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_171d 1 86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_171d 1 87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 15 . C1' . 15 . C2' . 15 . C3' . 15 . C4' parsed_171d 1 88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_171d 1 89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_171d 1 90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_171d 1 91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_171d 1 92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 20 . C1' . 20 . C2' . 20 . C3' . 20 . C4' parsed_171d 1 93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.6 40.6 . . 21 . C1' . 21 . C2' . 21 . C3' . 21 . C4' parsed_171d 1 94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 22 . C1' . 22 . C2' . 22 . C3' . 22 . C4' parsed_171d 1 95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 23 . C1' . 23 . C2' . 23 . C3' . 23 . C4' parsed_171d 1 96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 24 . C1' . 24 . C2' . 24 . C3' . 24 . C4' parsed_171d 1 97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_171d 1 98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 14 . C2' . 14 . C3' . 14 . C4' . 14 . O4' parsed_171d 1 99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 15 . C2' . 15 . C3' . 15 . C4' . 15 . O4' parsed_171d 1 100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 16 . C2' . 16 . C3' . 16 . C4' . 16 . O4' parsed_171d 1 101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 17 . C2' . 17 . C3' . 17 . C4' . 17 . O4' parsed_171d 1 102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 18 . C2' . 18 . C3' . 18 . C4' . 18 . O4' parsed_171d 1 103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 19 . C2' . 19 . C3' . 19 . C4' . 19 . O4' parsed_171d 1 104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 20 . C2' . 20 . C3' . 20 . C4' . 20 . O4' parsed_171d 1 105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.3 -34.3 . . 21 . C2' . 21 . C3' . 21 . C4' . 21 . O4' parsed_171d 1 106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 22 . C2' . 22 . C3' . 22 . C4' . 22 . O4' parsed_171d 1 107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 23 . C2' . 23 . C3' . 23 . C4' . 23 . O4' parsed_171d 1 108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 24 . C2' . 24 . C3' . 24 . C4' . 24 . O4' parsed_171d 1 109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_171d 1 110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 14 . C3' . 14 . C4' . 14 . O4' . 14 . C1' parsed_171d 1 111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 15 . C3' . 15 . C4' . 15 . O4' . 15 . C1' parsed_171d 1 112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 16 . C3' . 16 . C4' . 16 . O4' . 16 . C1' parsed_171d 1 113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 17 . C3' . 17 . C4' . 17 . O4' . 17 . C1' parsed_171d 1 114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 18 . C3' . 18 . C4' . 18 . O4' . 18 . C1' parsed_171d 1 115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 19 . C3' . 19 . C4' . 19 . O4' . 19 . C1' parsed_171d 1 116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 20 . C3' . 20 . C4' . 20 . O4' . 20 . C1' parsed_171d 1 117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.1 39.1 . . 21 . C3' . 21 . C4' . 21 . O4' . 21 . C1' parsed_171d 1 118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 22 . C3' . 22 . C4' . 22 . O4' . 22 . C1' parsed_171d 1 119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 23 . C3' . 23 . C4' . 23 . O4' . 23 . C1' parsed_171d 1 120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 24 . C3' . 24 . C4' . 24 . O4' . 24 . C1' parsed_171d 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 restraints Determined by E.COSY analysis -------------------------------------------------------------------- nu zero -------------------------------------------------------------------- ; 1 1 6 70 parsed_171d 1 2 ; -------------------------------------------------------------------- nu one -------------------------------------------------------------------- ; 31 1 33 70 parsed_171d 1 3 ; ------------------------------------------------------------------- nu two ------------------------------------------------------------------- ; 59 1 61 69 parsed_171d 1 4 ; ------------------------------------------------------------------- nu three ------------------------------------------------------------------- ; 88 1 90 69 parsed_171d 1 5 ; ------------------------------------------------------------------- nu four ------------------------------------------------------------------- ; 116 1 118 69 parsed_171d 1 6 ; STRAND 2----------------------------------------------------------- nu zero -------------------------------------------------------------------- ; 144 1 146 70 parsed_171d 1 7 ; -------------------------------------------------------------------- nu one -------------------------------------------------------------------- ; 171 1 173 70 parsed_171d 1 8 ; ------------------------------------------------------------------- nu two ------------------------------------------------------------------- ; 199 1 201 69 parsed_171d 1 9 ; ------------------------------------------------------------------- nu three ------------------------------------------------------------------- ; 228 1 230 69 parsed_171d 1 10 ; ------------------------------------------------------------------- nu four ------------------------------------------------------------------- ; 256 1 258 69 parsed_171d 1 stop_ save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_171d _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; set message=on echo=on end ; save_
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