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
578729 2mn9 19883 cing 2-parsed STAR dihedral angle 33


data_2mn9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mn9 
    _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_2mn9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mn9 
    _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   2mn9   "Master copy"    parsed_2mn9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mn9 
    _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   2mn9.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2mn9   1   
        1   2mn9.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple               0   parsed_2mn9   1   
        1   2mn9.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple             160   parsed_2mn9   1   
        1   2mn9.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"     33   parsed_2mn9   1   
        1   2mn9.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2mn9   1   
    stop_

save_


save_DYANA/DIANA_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2mn9 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _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     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    2   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         2   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.0   -11.0   .   .    2   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         3   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.0   -36.0   .   .    3   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         4   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.0     0.0   .   .    3   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         5   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.0   -34.0   .   .    4   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         6   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    4   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         7   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.0   -40.0   .   .    5   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         8   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.0   -14.0   .   .    5   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
         9   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.0   -39.0   .   .    6   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        10   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.0     0.0   .   .    6   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        11   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.0   -33.0   .   .    7   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        12   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.0    -7.0   .   .    7   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        13   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.0   -36.0   .   .    8   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        14   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.0    -6.0   .   .    8   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        15   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.0   -39.0   .   .    9   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        16   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.0   -11.0   .   .    9   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        17   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.0   -37.0   .   .   10   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        18   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.0    -6.0   .   .   10   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        19   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -101.0   -41.0   .   .   11   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        20   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.0     4.0   .   .   11   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        21   OMEGA   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    179.9   180.1   .   .   13   I4G   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        22   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.0   -32.0   .   .   15   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        23   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.0    -9.0   .   .   15   GLY   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        24   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.0   -34.0   .   .   16   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        25   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.0   -13.0   .   .   16   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        26   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.0   -37.0   .   .   17   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        27   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.0    -8.0   .   .   17   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        28   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.0   -34.0   .   .   18   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        29   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.0    -6.0   .   .   18   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        30   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.0   -35.0   .   .   19   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        31   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.0   -12.0   .   .   19   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        32   PHI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.0   -37.0   .   .   20   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
        33   PSI     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.0    -3.0   .   .   20   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2mn9   1   
    stop_

save_





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