NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
537718 | 2ler | 17726 | cing | 2-parsed | STAR | dihedral angle | 14 |
data_2ler_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ler _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_2ler 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ler _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 2ler "Master copy" parsed_2ler stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ler _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 2ler.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ler 1 1 2ler.mr . . XPLOR/CNS 2 distance NOE ambi 240 parsed_2ler 1 1 2ler.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_2ler 1 1 2ler.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ler 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2ler _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 3 . HN . 3 . N . 3 . CA . 3 . HA parsed_2ler 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 2 . HN . 2 . N . 2 . CA . 2 . HA parsed_2ler 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 4 . HN . 4 . N . 4 . CA . 4 . HA parsed_2ler 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 6 . HN . 6 . N . 6 . CA . 6 . HA parsed_2ler 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 7 . HN . 7 . N . 7 . CA . 7 . HA parsed_2ler 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 9 . HN . 9 . N . 9 . CA . 9 . HA parsed_2ler 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 . HN . 10 . N . 10 . CA . 10 . HA parsed_2ler 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 . HN . 11 . N . 11 . CA . 11 . HA parsed_2ler 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . . 1 . O . 1 . C . 2 . N . 2 . HN parsed_2ler 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . . 2 . O . 2 . C . 3 . N . 3 . HN parsed_2ler 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . . 3 . O . 3 . C . 4 . N . 4 . HN parsed_2ler 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . . 6 . O . 6 . C . 7 . N . 7 . HN parsed_2ler 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . . 9 . O . 9 . C . 10 . N . 10 . HN parsed_2ler 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . . 10 . O . 10 . C . 11 . N . 11 . HN parsed_2ler 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 "dihedrals based on NOE HA-HA (no noe=trans)" 4 1 4 46 parsed_2ler 1 2 ; assign (resid 5 and name HN) (resid 5 and name N) (resid 5 and name CA) (resid 5 and name HA) 1.000 -120 30.0 2 omitted based on slow exchange of K5-NH ; 14 1 15 122 parsed_2ler 1 3 ; assign (resid 8 and name HN) (resid 8 and name N) (resid 8 and name CA) (resid 8 and name HA) 1.000 -120 30.0 2 omitted based on slow exchange of F8-NH ; 23 1 24 122 parsed_2ler 1 4 "dihedrals in peptide bonds" 37 1 37 28 parsed_2ler 1 5 ; assign (resid 4 and name O) (resid 4 and name C) (resid 5 and name N) (resid 5 and name HN) 1.000 180 10.0 2 omitted based on slow exchange of K5-NH ; 47 1 48 121 parsed_2ler 1 6 ; assign (resid 7 and name O) (resid 7 and name C) (resid 8 and name N) (resid 8 and name HN) 1.000 180 10.0 2 omitted based on slow exchange of F8-NH assign (resid 8 and name O) (resid 8 and name C) (resid 9 and name N) (resid 9 and name HN) 1.000 180 10.0 2 omitted based on slow exchange of F8-NH ; 53 1 57 121 parsed_2ler 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 ; restraints dihedral ; 1 2 2 9 parsed_2ler 1 2 end 65 1 65 3 parsed_2ler 1 stop_ save_
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