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
504602 2emf 10183 cing 2-parsed STAR dihedral angle 36


data_2emf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2emf 
    _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_2emf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2emf 
    _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   2emf   "Master copy"    parsed_2emf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2emf 
    _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   2emf.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2emf   1   
        1   2emf.mr   .   .    DYANA/DIANA   2    distance                 "general distance"     simple              12   parsed_2emf   1   
        1   2emf.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple              12   parsed_2emf   1   
        1   2emf.mr   .   .    DYANA/DIANA   4    distance                  NOE                   simple             593   parsed_2emf   1   
        1   2emf.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"      "Not applicable"     36   parsed_2emf   1   
        1   2emf.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2emf   1   
    stop_

save_


save_DYANA/DIANA_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2emf 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            5 
    _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    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.00   -82.00   .   .   14   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         2   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.00   167.00   .   .   14   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         3   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -110.00   -50.00   .   .   15   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         4   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.00   173.00   .   .   15   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         5   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00   -90.00   .   .   21   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         6   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.00   171.00   .   .   21   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         7   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.00   -95.00   .   .   22   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         8   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.00   175.00   .   .   22   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
         9   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -88.00   -28.00   .   .   25   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        10   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.00   -11.00   .   .   25   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        11   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.00   -34.00   .   .   26   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        12   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.00    -4.00   .   .   26   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        13   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.00   -37.00   .   .   27   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        14   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.00   -13.00   .   .   27   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        15   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.00   -32.00   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        16   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.00   -17.00   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        17   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.00   -32.00   .   .   29   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        18   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.00    -8.00   .   .   29   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        19   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.00   -38.00   .   .   30   MET    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        20   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.00    -6.00   .   .   30   MET    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        21   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.00   -34.00   .   .   31   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        22   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.00   -12.00   .   .   31   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        23   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.00   -32.00   .   .   32   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        24   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.00   -13.00   .   .   32   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        25   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.00   -37.00   .   .   33   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        26   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.00   -12.00   .   .   33   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        27   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -104.00   -44.00   .   .   34   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        28   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.00     7.00   .   .   34   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        29   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.00   -65.00   .   .   35   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        30   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -39.00    21.00   .   .   35   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        31   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.00   -56.00   .   .   36   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        32   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -42.00    18.00   .   .   36   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        33   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.00   210.00   .   .   15   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        34   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.00    90.00   .   .   18   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        35   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.00   210.00   .   .   31   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
        36   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.00   -30.00   .   .   35   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2emf   1   
    stop_

save_





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