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
505775 2ytt 10178 cing 2-parsed STAR dihedral angle 35


data_2ytt_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ytt 
    _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_2ytt   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ytt 
    _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   2ytt   "Master copy"    parsed_2ytt   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ytt 
    _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   2ytt.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2ytt   1   
        1   2ytt.mr   .   .    DYANA/DIANA   2    distance                 "general distance"     simple              12   parsed_2ytt   1   
        1   2ytt.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple              12   parsed_2ytt   1   
        1   2ytt.mr   .   .    DYANA/DIANA   4    distance                  NOE                   simple             314   parsed_2ytt   1   
        1   2ytt.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"      "Not applicable"     35   parsed_2ytt   1   
        1   2ytt.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2ytt   1   
    stop_

save_


save_DYANA/DIANA_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2ytt 
    _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    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -121.00    -61.00   .   .   10   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         2   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.00    166.00   .   .   10   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         3   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -118.00    -58.00   .   .   11   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         4   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.00    178.00   .   .   11   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         5   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.00    -80.00   .   .   14   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         6   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.00    163.00   .   .   14   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         7   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.00    -45.00   .   .   15   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         8   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.00    159.00   .   .   15   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
         9   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.00    -80.00   .   .   21   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        10   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.00    172.00   .   .   21   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        11   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00   -100.00   .   .   22   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        12   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114.00    174.00   .   .   22   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        13   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.00    -27.00   .   .   25   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        14   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.00    -11.00   .   .   25   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        15   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.00    -30.00   .   .   26   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        16   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.00    -13.00   .   .   26   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        17   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.00    -39.00   .   .   27   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        18   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.00     -7.00   .   .   27   ARG    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        19   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.00    -34.00   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        20   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.00    -12.00   .   .   28   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        21   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.00    -32.00   .   .   29   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        22   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.00    -13.00   .   .   29   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        23   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.00    -33.00   .   .   30   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        24   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.00     -6.00   .   .   30   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        25   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.00    -39.00   .   .   31   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        26   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.00     -7.00   .   .   31   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        27   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.00    -34.00   .   .   32   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        28   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.00    -15.00   .   .   32   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        29   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.00    -38.00   .   .   33   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        30   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.00     -9.00   .   .   33   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        31   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.00    -45.00   .   .   34   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        32   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.00      0.00   .   .   34   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        33   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.00    -65.00   .   .   35   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        34   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -39.00     21.00   .   .   35   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
        35   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.00     90.00   .   .   18   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ytt   1   
    stop_

save_





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