NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type item_count
615285 5n14 34094 cing 2-parsed STAR dihedral angle 33


data_5n14_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5n14 
    _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_5n14   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5n14 
    _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   5n14   "Master copy"    parsed_5n14   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5n14 
    _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   5n14.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_5n14   1   
        1   5n14.mr   .   .    unknown       2    unknown                  "Not applicable"    "Not applicable"      0   parsed_5n14   1   
        1   5n14.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple             181   parsed_5n14   1   
        1   5n14.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"      simple              36   parsed_5n14   1   
        1   5n14.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"    "Not applicable"     33   parsed_5n14   1   
        1   5n14.mr   .   .    AMBER         6    distance                  NOE                 simple               0   parsed_5n14   1   
        1   5n14.mr   .   .    AMBER         7    distance                 "hydrogen bond"      simple               0   parsed_5n14   1   
        1   5n14.mr   .   .    AMBER         8   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_5n14   1   
        1   5n14.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_5n14   1   
    stop_

save_


save_DYANA/DIANA_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5n14 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            5 
    _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   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.2   -53.2   .   .   64   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.0   153.0   .   .   64   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         3   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.0   153.0   .   .   64   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         4   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -156.9   -50.7   .   .   65   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         5   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.8   153.2   .   .   65   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.8   153.2   .   .   65   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.8   -65.8   .   .   66   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     82.1   123.5   .   .   66   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
         9   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     82.1   123.5   .   .   66   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        10   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -112.7   -38.4   .   .   67   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        11   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.8    31.3   .   .   67   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.8    31.3   .   .   67   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.1   -53.1   .   .   69   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.4   224.9   .   .   69   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        15   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.4   224.9   .   .   69   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        16   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.4   -49.7   .   .   70   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        17   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.4   162.0   .   .   70   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.4   162.0   .   .   70   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -102.1   -56.6   .   .   71   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.2   151.5   .   .   71   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        21   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.2   151.5   .   .   71   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        22   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.0   -60.7   .   .   72   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        23   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102.8   160.4   .   .   72   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102.8   160.4   .   .   72   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.0   -62.5   .   .   73   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.7   185.0   .   .   73   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        27   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.7   185.0   .   .   73   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        28   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.2   -43.2   .   .   74   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        29   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.9    -4.6   .   .   74   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.9    -4.6   .   .   74   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -88.4    31.1   .   .   85   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.3    25.8   .   .   85   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   1   
        33   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.3    25.8   .   .   85   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5n14   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    ==========================================   1   1   1   43   parsed_5n14   1   
        2   "CL112:DYANA, Dihedral anagles restraints"    2   1   2   42   parsed_5n14   1   
        3    ==========================================   3   1   3   43   parsed_5n14   1   
    stop_

save_





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