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
41121 1wjq 10037 cing 2-parsed STAR dihedral angle 52


data_1wjq_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1wjq 
    _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_1wjq   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1wjq 
    _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   1wjq   "Master copy"    parsed_1wjq   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1wjq 
    _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   1wjq.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1wjq   1   
        1   1wjq.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    52   parsed_1wjq   1   
        1   1wjq.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple              0   parsed_1wjq   1   
        1   1wjq.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1wjq   1   
    stop_

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1wjq 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.3   -110.3   .   .   20   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    119.4    179.4   .   .   20   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.4    -81.4   .   .   21   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     96.7    156.7   .   .   21   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.7    -71.7   .   .   23   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     96.7    156.7   .   .   23   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -111.1    -51.1   .   .   24   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.2    161.2   .   .   24   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -102.3    -42.3   .   .   25   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.2      1.8   .   .   25   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -111.1    -51.1   .   .   26   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.6      8.4   .   .   26   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.4    -76.4   .   .   30   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.6    165.6   .   .   30   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.1    -69.1   .   .   31   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.9    166.9   .   .   31   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.5    -60.5   .   .   33   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     92.1    152.1   .   .   33   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159.5    -99.5   .   .   34   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.4    175.4   .   .   34   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.6    -40.6   .   .   36   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102.6    162.6   .   .   36   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164.0   -104.0   .   .   38   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    128.0    188.0   .   .   38   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.1    -90.1   .   .   39   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.4    169.4   .   .   39   THR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -168.5   -108.5   .   .   44   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.5    177.5   .   .   44   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -123.9    -63.9   .   .   46   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.1    173.1   .   .   46   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.3    -74.3   .   .   47   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     91.3    151.3   .   .   47   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.0    -65.0   .   .   58   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.0    165.0   .   .   58   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.0    -97.0   .   .   59   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.0    167.0   .   .   59   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.0    -69.0   .   .   67   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.0    150.0   .   .   67   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        39   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.0    -37.0   .   .   71   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        40   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0    -10.0   .   .   71   TRP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        41   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.0    -36.0   .   .   72   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        42   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.0    -12.0   .   .   72   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        43   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.0    -37.0   .   .   73   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        44   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.0    -11.0   .   .   73   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        45   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     55.0    115.0   .   .   76   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        46   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -23.0     37.0   .   .   76   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        47   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.0    -72.0   .   .   77   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        48   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.0    158.0   .   .   77   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        49   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.0    -76.0   .   .   79   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        50   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.0    166.0   .   .   79   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        51   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.0    -77.0   .   .   80   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
        52   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89.0    149.0   .   .   80   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_1wjq   1   
    stop_

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