NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
54352 2yty cing 2-parsed STAR dihedral angle 44


data_2yty_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2yty 
    _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_2yty   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2yty 
    _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   2yty   "Master copy"    parsed_2yty   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2yty 
    _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   2yty.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2yty   1   
        1   2yty.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    44   parsed_2yty   1   
        1   2yty.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple              0   parsed_2yty   1   
        1   2yty.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2yty   1   
    stop_

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2yty 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.1    -69.1   .   .   19   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.4    172.4   .   .   19   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.4    -93.4   .   .   22   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.8    169.8   .   .   22   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -122.8    -62.8   .   .   26   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89.8    149.8   .   .   26   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.2    -94.2   .   .   32   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.6    176.6   .   .   32   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.2    -85.2   .   .   33   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.8    154.8   .   .   33   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -121.1    -61.1   .   .   35   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.7    182.7   .   .   35   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -101.1    -41.1   .   .   36   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.0     15.0   .   .   36   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127.9    -67.9   .   .   37   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -40.1     19.9   .   .   37   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.6    -84.6   .   .   41   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.8    160.8   .   .   41   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.9    -37.9   .   .   46   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.3     -3.3   .   .   46   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.1    -40.1   .   .   47   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.9      7.1   .   .   47   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.6    -73.6   .   .   49   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.2    160.2   .   .   49   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -102.7    -42.7   .   .   53   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.9      1.1   .   .   53   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -165.8   -105.8   .   .   62   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.6    178.6   .   .   62   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.3    -88.3   .   .   63   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.3    176.3   .   .   63   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.2    -97.2   .   .   64   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.5    170.5   .   .   64   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.5    -86.5   .   .   65   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.9    161.9   .   .   65   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.5    -65.5   .   .   67   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.2    159.2   .   .   67   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.4    -84.4   .   .   75   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.6    178.6   .   .   75   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        39   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.6    -85.5   .   .   76   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        40   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.1    175.1   .   .   76   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        41   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.1    -93.1   .   .   80   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        42   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.2    176.2   .   .   80   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        43   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.3    -72.3   .   .   82   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
        44   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.4    164.4   .   .   82   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yty   1   
    stop_

save_





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