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
54395 2yum 10193 cing 2-parsed STAR dihedral angle 54


data_2yum_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2yum 
    _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_2yum   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2yum 
    _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   2yum   "Master copy"    parsed_2yum   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2yum 
    _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   2yum.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2yum   1   
        1   2yum.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             1514   parsed_2yum   1   
        1   2yum.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"      54   parsed_2yum   1   
        1   2yum.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2yum   1   
    stop_

save_


save_DYANA/DIANA_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2yum 
    _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   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -107.0   -47.0   .   .   10   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.7   169.7   .   .   10   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.2   -34.2   .   .   14   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.5    -8.5   .   .   14   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.5   -36.5   .   .   15   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.3   -14.3   .   .   15   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.4   -36.4   .   .   16   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.1   -10.1   .   .   16   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.0   -32.0   .   .   17   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.6   -13.6   .   .   17   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.0   -36.0   .   .   18   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.1    -7.1   .   .   18   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.8   -35.8   .   .   19   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.6   -10.6   .   .   19   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.9   -33.9   .   .   20   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.5    -9.5   .   .   20   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.3   -37.3   .   .   21   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.2    -6.1   .   .   21   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.2   -35.2   .   .   22   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.4    -5.4   .   .   22   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.5   -33.5   .   .   23   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.6    -6.6   .   .   23   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.4   -40.4   .   .   35   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.2    -8.2   .   .   35   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -103.5   -43.5   .   .   36   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.9    -7.9   .   .   36   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.7   -31.7   .   .   37   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.9   -12.9   .   .   37   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.3   -32.3   .   .   38   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.3   -11.3   .   .   38   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.8   -37.8   .   .   39   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.8    -8.8   .   .   39   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.4   -32.4   .   .   40   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.0   -11.0   .   .   40   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.3   -33.3   .   .   41   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.3   -13.3   .   .   41   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.5   -36.5   .   .   42   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.0   -12.0   .   .   42   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        39   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.7   -33.7   .   .   49   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        40   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.3   -11.3   .   .   49   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        41   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.5   -33.5   .   .   50   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        42   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.1   -11.1   .   .   50   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        43   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.9   -37.9   .   .   51   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        44   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.2   -10.2   .   .   51   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        45   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.0   -33.0   .   .   52   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        46   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.8    -9.8   .   .   52   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        47   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -101.1   -41.1   .   .   53   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        48   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.9    -5.9   .   .   53   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        49   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.3   -35.3   .   .   54   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        50   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.1   -11.1   .   .   54   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        51   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.8   -33.8   .   .   55   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        52   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.6   -11.6   .   .   55   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        53   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.9   -33.9   .   .   56   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
        54   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.8    -7.8   .   .   56   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yum   1   
    stop_

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