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
611564 2nbc 25971 cing 2-parsed STAR dihedral angle 27


data_2nbc_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2nbc 
    _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_2nbc   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2nbc 
    _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   2nbc   "Master copy"    parsed_2nbc   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2nbc 
    _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   2nbc.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2nbc   1   
        1   2nbc.mr   .   .    DYANA/DIANA   2    distance                  NOE                   simple             190   parsed_2nbc   1   
        1   2nbc.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple              12   parsed_2nbc   1   
        1   2nbc.mr   .   .    XEASY         4    peak                     "Not applicable"      "Not applicable"      0   parsed_2nbc   1   
        1   2nbc.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"      "Not applicable"     27   parsed_2nbc   1   
        1   2nbc.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2nbc   1   
    stop_

save_


save_DYANA/DIANA_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2nbc 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.0   -46.0   .   .    2   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     71.0   199.0   .   .    2   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.0   -42.0   .   .    3   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.0   200.0   .   .    3   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         5   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.0    33.0   .   .    4   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         6   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     47.0   107.0   .   .    5   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         7   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -20.0    56.0   .   .    5   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         8   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -177.0   -53.0   .   .    6   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
         9   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.0   177.0   .   .    6   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        10   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175.0   -91.0   .   .    7   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        11   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     88.0   192.0   .   .    7   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        12   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -156.0   -40.0   .   .    8   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        13   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     82.0   182.0   .   .    8   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        14   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.0   -41.0   .   .    9   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        15   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.0   178.0   .   .    9   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        16   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.0   -56.0   .   .   10   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        17   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.0   -10.0   .   .   10   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        18   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -110.0   -62.0   .   .   11   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        19   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -22.0    22.0   .   .   11   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        20   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     77.0   105.0   .   .   12   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        21   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -21.0     7.0   .   .   12   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        22   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.0   -50.0   .   .   13   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        23   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     44.0   192.0   .   .   13   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        24   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -181.0   -45.0   .   .   14   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        25   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     74.0   182.0   .   .   14   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        26   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.0   -38.0   .   .   15   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
        27   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     82.0   178.0   .   .   15   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2nbc   1   
    stop_

save_





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