NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
491021 | 2krw | cing | 2-parsed | STAR | dihedral angle | 93 |
data_2krw_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2krw _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_2krw 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2krw _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 2krw "Master copy" parsed_2krw stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2krw _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 2krw.mr . . "MR format" 1 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krw 1 1 2krw.mr . . XPLOR/CNS 2 distance NOE simple 256 parsed_2krw 1 1 2krw.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 93 parsed_2krw 1 1 2krw.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2krw 1 1 2krw.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krw 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2krw _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 1 . O3' A 2 . P A 2 . O5' A 2 . C5' parsed_2krw 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 2 . O3' A 3 . P A 3 . O5' A 3 . C5' parsed_2krw 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 3 . O3' A 4 . P A 4 . O5' A 4 . C5' parsed_2krw 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 4 . O3' A 5 . P A 5 . O5' A 5 . C5' parsed_2krw 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 5 . O3' A 6 . P A 6 . O5' A 6 . C5' parsed_2krw 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 6 . O3' A 7 . P A 7 . O5' A 7 . C5' parsed_2krw 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 7 . O3' A 8 . P A 8 . O5' A 8 . C5' parsed_2krw 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108 -28 . A 8 . O3' A 9 . P A 9 . O5' A 9 . C5' parsed_2krw 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 9 . O3' A 10 . P A 10 . O5' A 10 . C5' parsed_2krw 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 10 . O3' A 11 . P A 11 . O5' A 11 . C5' parsed_2krw 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 12 . O3' A 13 . P A 13 . O5' A 13 . C5' parsed_2krw 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 13 . O3' A 14 . P A 14 . O5' A 14 . C5' parsed_2krw 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 14 . O3' A 15 . P A 15 . O5' A 15 . C5' parsed_2krw 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 15 . O3' A 16 . P A 16 . O5' A 16 . C5' parsed_2krw 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 16 . O3' A 17 . P A 17 . O5' A 17 . C5' parsed_2krw 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 1 . C3' A 1 . O3' A 2 . P A 2 . O5' parsed_2krw 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 2 . C3' A 2 . O3' A 3 . P A 3 . O5' parsed_2krw 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 3 . C3' A 3 . O3' A 4 . P A 4 . O5' parsed_2krw 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 4 . C3' A 4 . O3' A 5 . P A 5 . O5' parsed_2krw 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 5 . C3' A 5 . O3' A 6 . P A 6 . O5' parsed_2krw 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 6 . C3' A 6 . O3' A 7 . P A 7 . O5' parsed_2krw 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121 -21 . A 7 . C3' A 7 . O3' A 8 . P A 8 . O5' parsed_2krw 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116 -26 . A 8 . C3' A 8 . O3' A 9 . P A 9 . O5' parsed_2krw 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121 -21 . A 9 . C3' A 9 . O3' A 10 . P A 10 . O5' parsed_2krw 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121 -21 . A 10 . C3' A 10 . O3' A 11 . P A 11 . O5' parsed_2krw 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 12 . C3' A 12 . O3' A 13 . P A 13 . O5' parsed_2krw 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 13 . C3' A 13 . O3' A 14 . P A 14 . O5' parsed_2krw 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 14 . C3' A 14 . O3' A 15 . P A 15 . O5' parsed_2krw 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 15 . C3' A 15 . O3' A 16 . P A 16 . O5' parsed_2krw 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 16 . C3' A 16 . O3' A 17 . P A 17 . O5' parsed_2krw 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 2 . P A 2 . O5' A 2 . C5' A 2 . C4' parsed_2krw 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 3 . P A 3 . O5' A 3 . C5' A 3 . C4' parsed_2krw 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 4 . P A 4 . O5' A 4 . C5' A 4 . C4' parsed_2krw 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 5 . P A 5 . O5' A 5 . C5' A 5 . C4' parsed_2krw 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148 208 . A 6 . P A 6 . O5' A 6 . C5' A 6 . C4' parsed_2krw 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 13 . P A 13 . O5' A 13 . C5' A 13 . C4' parsed_2krw 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 14 . P A 14 . O5' A 14 . C5' A 14 . C4' parsed_2krw 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 15 . P A 15 . O5' A 15 . C5' A 15 . C4' parsed_2krw 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 16 . P A 16 . O5' A 16 . C5' A 16 . C4' parsed_2krw 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 17 . P A 17 . O5' A 17 . C5' A 17 . C4' parsed_2krw 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 1 . O5' A 1 . C5' A 1 . C4' A 1 . C3' parsed_2krw 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 2 . O5' A 2 . C5' A 2 . C4' A 2 . C3' parsed_2krw 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 3 . O5' A 3 . C5' A 3 . C4' A 3 . C3' parsed_2krw 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 4 . O5' A 4 . C5' A 4 . C4' A 4 . C3' parsed_2krw 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 5 . O5' A 5 . C5' A 5 . C4' A 5 . C3' parsed_2krw 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 84 . A 6 . O5' A 6 . C5' A 6 . C4' A 6 . C3' parsed_2krw 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 13 . O5' A 13 . C5' A 13 . C4' A 13 . C3' parsed_2krw 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 14 . O5' A 14 . C5' A 14 . C4' A 14 . C3' parsed_2krw 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 15 . O5' A 15 . C5' A 15 . C4' A 15 . C3' parsed_2krw 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 16 . O5' A 16 . C5' A 16 . C4' A 16 . C3' parsed_2krw 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 17 . O5' A 17 . C5' A 17 . C4' A 17 . C3' parsed_2krw 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 1 . C5' A 1 . C4' A 1 . C3' A 1 . O3' parsed_2krw 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 2 . C5' A 2 . C4' A 2 . C3' A 2 . O3' parsed_2krw 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 3 . C5' A 3 . C4' A 3 . C3' A 3 . O3' parsed_2krw 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 4 . C5' A 4 . C4' A 4 . C3' A 4 . O3' parsed_2krw 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 5 . C5' A 5 . C4' A 5 . C3' A 5 . O3' parsed_2krw 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 110 . A 6 . C5' A 6 . C4' A 6 . C3' A 6 . O3' parsed_2krw 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 110 . A 12 . C5' A 12 . C4' A 12 . C3' A 12 . O3' parsed_2krw 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 13 . C5' A 13 . C4' A 13 . C3' A 13 . O3' parsed_2krw 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 14 . C5' A 14 . C4' A 14 . C3' A 14 . O3' parsed_2krw 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 15 . C5' A 15 . C4' A 15 . C3' A 15 . O3' parsed_2krw 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 16 . C5' A 16 . C4' A 16 . C3' A 16 . O3' parsed_2krw 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 190 . A 11 . C5' A 11 . C4' A 11 . C3' A 11 . O3' parsed_2krw 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 190 . A 8 . C5' A 8 . C4' A 8 . C3' A 8 . O3' parsed_2krw 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 190 . A 9 . C5' A 9 . C4' A 9 . C3' A 9 . O3' parsed_2krw 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 1 . O4' A 1 . C1' A 1 . N1 A 1 . C2 parsed_2krw 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 2 . O4' A 2 . C1' A 2 . N1 A 2 . C2 parsed_2krw 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 3 . O4' A 3 . C1' A 3 . N1 A 3 . C2 parsed_2krw 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 4 . O4' A 4 . C1' A 4 . N9 A 4 . C4 parsed_2krw 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 5 . O4' A 5 . C1' A 5 . N9 A 5 . C4 parsed_2krw 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 6 . O4' A 6 . C1' A 6 . N1 A 6 . C2 parsed_2krw 1 72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 13 . O4' A 13 . C1' A 13 . N1 A 13 . C2 parsed_2krw 1 73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 14 . O4' A 14 . C1' A 14 . N1 A 14 . C2 parsed_2krw 1 74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 15 . O4' A 15 . C1' A 15 . N9 A 15 . C4 parsed_2krw 1 75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 16 . O4' A 16 . C1' A 16 . N9 A 16 . C4 parsed_2krw 1 76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 17 . O4' A 17 . C1' A 17 . N9 A 17 . C4 parsed_2krw 1 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . A 10 . O4' A 10 . C1' A 10 . N9 A 10 . C4 parsed_2krw 1 78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 1 . C4' A 1 . C3' A 1 . O3' A 2 . P parsed_2krw 1 79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 2 . C4' A 2 . C3' A 2 . O3' A 3 . P parsed_2krw 1 80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 3 . C4' A 3 . C3' A 3 . O3' A 4 . P parsed_2krw 1 81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 4 . C4' A 4 . C3' A 4 . O3' A 5 . P parsed_2krw 1 82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 5 . C4' A 5 . C3' A 5 . O3' A 6 . P parsed_2krw 1 83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183 -123 . A 6 . C4' A 6 . C3' A 6 . O3' A 7 . P parsed_2krw 1 84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 7 . C4' A 7 . C3' A 7 . O3' A 8 . P parsed_2krw 1 85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 8 . C4' A 8 . C3' A 8 . O3' A 9 . P parsed_2krw 1 86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 9 . C4' A 9 . C3' A 9 . O3' A 10 . P parsed_2krw 1 87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 10 . C4' A 10 . C3' A 10 . O3' A 11 . P parsed_2krw 1 88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 11 . C4' A 11 . C3' A 11 . O3' A 12 . P parsed_2krw 1 89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183 -123 . A 12 . C4' A 12 . C3' A 12 . O3' A 13 . P parsed_2krw 1 90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 13 . C4' A 13 . C3' A 13 . O3' A 14 . P parsed_2krw 1 91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 14 . C4' A 14 . C3' A 14 . O3' A 15 . P parsed_2krw 1 92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 15 . C4' A 15 . C3' A 15 . O3' A 16 . P parsed_2krw 1 93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 16 . C4' A 16 . C3' A 16 . O3' A 17 . P parsed_2krw 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 "alpha o3'-p-o5'-c5' -> 31P all phosphat together, no important downfield" 1 1 1 74 parsed_2krw 1 2 ; assign (resid 11 and name O3' and segid A) (resid 12 and name P and segid A) (resid 12 and name O5' and segid A) (resid 12 and name C5' and segid A) 1.0 0 120 2 ; 22 1 23 96 parsed_2krw 1 3 "ZETA C3'-O3'-P-O5' 31P all together +- 0.7ppm" 34 1 34 47 parsed_2krw 1 4 ; assign (resid 11 and name C3' and segid A) (resid 11 and name O3' and segid A) (resid 12 and name P and segid A) (resid 12 and name O5' and segid A) 1.0 0 120 2 ; 55 1 56 94 parsed_2krw 1 5 ; beta P-O5'-C5'-C4' stem standard A-form, no restraints for loop (see cosy for restraints: small 3JH4'-H5' and 3JH4'-H5'' -> gauche+), important 3JH4'-H5' and 3JH4'-H5'' => trans or gauche (-)) ; 67 1 68 61 parsed_2krw 1 6 "gamma O5'-C5'-C4'-C3' (gauche (+) 60+-30) stem A-form (31P heterotocsy -> 4JPH4' coupling)" 89 1 89 92 parsed_2krw 1 7 "DELTA SUGAR PUCKER C5'-C4'-C3'-O3' 85+-15 c3'-endo; 160+-30 c2'-endo cosy 3JH1'-H2'" 112 1 112 85 parsed_2krw 1 8 "sugar pucker C2'-endo => C35, A34 and A37 145+_ 30" 135 1 135 52 parsed_2krw 1 9 ; sugar pucker G36 U33, G43 => unrestrained CHI PURINE O4'-C1'-N9-C4 -158 Chi angle for C2'-endo residue -130+-40 (C35, U34 and A37) PYRIMIDINE O4'-C1'-N1-C2 based on intra-noe H8/H6-H1' ; 142 1 144 56 parsed_2krw 1 10 ; assign (resid 7 and name O4' and segid A) (resid 7 and name C1' and segid A) (resid 7 and name N1 and segid A) (resid 7 and name C2 and segid A) 1.0 -158 30 2 assign (resid 8 and name O4' and segid A) (resid 8 and name C1' and segid A) (resid 8 and name N9 and segid A) (resid 8 and name C4 and segid A) 1.0 -158 40 2 assign (resid 9 and name O4' and segid A) (resid 9 and name C1' and segid A) (resid 9 and name N1 and segid A) (resid 9 and name C2 and segid A) 1.0 -158 40 2 assign (resid 11 and name O4' and segid A) (resid 11 and name C1' and segid A) (resid 11 and name N9 and segid A) (resid 11 and name C4 and segid A) 1.0 -158 40 2 assign (resid 12 and name O4' and segid A) (resid 12 and name C1' and segid A) (resid 12 and name N9 and segid A) (resid 12 and name C4 and segid A) 1.0 -158 40 2 ; 157 1 166 96 parsed_2krw 1 11 "chi syn for G36 60 +_30 syn residue" 177 1 177 38 parsed_2krw 1 12 "EPSILON C4'-C3'-O3'-P stem A form -153; loop residues constraint to avoid gauche+ conformation (steric clashes)" 180 1 180 114 parsed_2krw 1 stop_ save_
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