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
505544 2yso 11368 cing 2-parsed STAR dihedral angle 40


data_2yso_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2yso 
    _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_2yso   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2yso 
    _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   2yso   "Master copy"    parsed_2yso   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2yso 
    _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   2yso.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_2yso   1   
        1   2yso.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"      "Not applicable"    40   parsed_2yso   1   
        1   2yso.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple              0   parsed_2yso   1   
        1   2yso.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple              0   parsed_2yso   1   
        1   2yso.mr   .   .    DYANA/DIANA   5    distance                  NOE                   simple              0   parsed_2yso   1   
        1   2yso.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_2yso   1   
    stop_

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2yso 
    _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     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.8    -84.8   .   .   21   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         2   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.9    158.9   .   .   21   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         3   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.3   -100.3   .   .   22   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         4   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.3    182.3   .   .   22   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         5   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.4    -31.4   .   .   26   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         6   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.0     -8.0   .   .   26   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         7   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.8    -34.8   .   .   27   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         8   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.6     -8.6   .   .   27   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
         9   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.6    -31.6   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        10   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.6    -14.6   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        11   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.3    -30.3   .   .   29   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        12   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.4     -9.4   .   .   29   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        13   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.4    -34.4   .   .   30   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        14   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.2     -9.2   .   .   30   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        15   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.8    -33.8   .   .   31   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        16   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.8    -11.8   .   .   31   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        17   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.1    -34.1   .   .   32   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        18   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.4     -8.4   .   .   32   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        19   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.2    -34.2   .   .   33   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        20   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.4    -11.4   .   .   33   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        21   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.7    -39.7   .   .   34   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        22   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.5      1.5   .   .   34   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        23   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     40.0     80.0   .   .   18   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        24   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.0    -40.0   .   .   13   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        25   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.0    -40.0   .   .   13   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        26   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.0    -40.0   .   .   34   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        27   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   34   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        28   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.0    -40.0   .   .   35   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        29   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.0    -40.0   .   .   35   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        30   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.0    -40.0   .   .   21   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        31   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   21   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        32   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        33   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     40.0     80.0   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        34   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   29   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        35   CHI21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   29   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        36   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   14   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        37   CHI2    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   14   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        38   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   26   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        39   CHI1    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    160.0    200.0   .   .   33   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
        40   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     73.0    133.0   .   .   19   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yso   1   
    stop_

save_





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