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
599418 2mza 25478 cing 2-parsed STAR dihedral angle 19


data_2mza_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mza 
    _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_2mza   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mza 
    _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   2mza   "Master copy"    parsed_2mza   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mza 
    _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   2mza.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_2mza   1   
        1   2mza.mr   .   .    DYANA/DIANA   2    distance                  NOE                   simple             85   parsed_2mza   1   
        1   2mza.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"        simple             10   parsed_2mza   1   
        1   2mza.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple              5   parsed_2mza   1   
        1   2mza.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"      "Not applicable"    19   parsed_2mza   1   
        1   2mza.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_2mza   1   
    stop_

save_


save_DYANA/DIANA_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2mza 
    _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    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0   -70.0   .   .    2   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         2   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0   -70.0   .   .    3   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         3   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0   -70.0   .   .    4   ASP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         4   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .    5   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         5   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .    6   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         6   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .    7   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         7   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .    8   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         8   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .    9   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
         9   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .   10   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        10   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .   11   SEP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        11   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.0   -55.0   .   .   12   MET    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        12   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0   -70.0   .   .   13   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        13   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.0   -40.0   .   .   14   PROO   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        14   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.0    30.0   .   .   14   PROO   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        15   CHI2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    80.0   160.0   .   .   14   PROO   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        16   CHI3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    50.0    80.0   .   .   14   PROO   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        17   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0   -70.0   .   .   15   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        18   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0   -70.0   .   .   16   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
        19   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0   -70.0   .   .   17   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mza   1   
    stop_

save_





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