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
54348 2ytx cing 2-parsed STAR dihedral angle 46


data_2ytx_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ytx 
    _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_2ytx   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ytx 
    _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   2ytx   "Master copy"    parsed_2ytx   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ytx 
    _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   2ytx.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2ytx   1   
        1   2ytx.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    46   parsed_2ytx   1   
        1   2ytx.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple              0   parsed_2ytx   1   
        1   2ytx.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2ytx   1   
    stop_

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2ytx 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.5    -81.5   .   .   21   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.7    158.7   .   .   21   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.4    -98.4   .   .   25   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.2    168.2   .   .   25   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.8    -66.8   .   .   26   MET    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.8    166.8   .   .   26   MET    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159.3    -99.3   .   .   27   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.3    171.3   .   .   27   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -156.7    -96.7   .   .   32   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.3    180.3   .   .   32   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.5    -97.5   .   .   33   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.6    159.6   .   .   33   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130.4    -70.4   .   .   34   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     88.6    148.6   .   .   34   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.3    -84.3   .   .   40   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.1    168.1   .   .   40   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.7    -71.7   .   .   41   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.4    163.4   .   .   41   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.4    -71.4   .   .   43   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.4    160.4   .   .   43   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.4    -35.4   .   .   46   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.2    -10.2   .   .   46   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -117.4    -57.4   .   .   50   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.7    160.7   .   .   50   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.0    -79.0   .   .   52   ASP-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.1    163.1   .   .   52   ASP-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.5   -102.5   .   .   62   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    124.6    184.6   .   .   62   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.1    -98.1   .   .   63   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.2    180.2   .   .   63   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.9    -93.9   .   .   64   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.3    161.3   .   .   64   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.0    -86.0   .   .   65   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.4    155.4   .   .   65   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.4    -78.4   .   .   72   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.6    182.6   .   .   72   LYS+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124.6    -64.6   .   .   73   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.8    164.8   .   .   73   GLU-   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        39   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.3   -102.3   .   .   74   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        40   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.7    182.7   .   .   74   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        41   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147.5    -87.5   .   .   75   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        42   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.9    165.9   .   .   75   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        43   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.2    -90.2   .   .   79   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        44   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.7    181.7   .   .   79   ARG+   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        45   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -114.3    -54.3   .   .   81   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
        46   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.9    167.9   .   .   81   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytx   1   
    stop_

save_





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