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
510484 2rrt 11440 cing 2-parsed STAR dihedral angle 30


data_2rrt_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2rrt 
    _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_2rrt   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2rrt 
    _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   2rrt   "Master copy"    parsed_2rrt   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2rrt 
    _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   2rrt.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2rrt   1   
        1   2rrt.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             548   parsed_2rrt   1   
        1   2rrt.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"      simple              23   parsed_2rrt   1   
        1   2rrt.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"     30   parsed_2rrt   1   
        1   2rrt.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2rrt   1   
    stop_

save_


save_DYANA/DIANA_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2rrt 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95    -35   .   .    7   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70    -10   .   .    7   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95    -35   .   .    8   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         4   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96    -36   .   .    9   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         5   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68     -8   .   .    9   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         6   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94    -34   .   .   10   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         7   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68     -8   .   .   10   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         8   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97    -37   .   .   11   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
         9   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63     -3   .   .   11   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        10   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98    -38   .   .   12   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        11   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74    -14   .   .   12   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        12   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95    -35   .   .   13   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        13   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74    -14   .   .   13   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        14   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92    -32   .   .   14   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        15   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62     -2   .   .   14   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        16   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -123    -63   .   .   17   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        17   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     88    148   .   .   17   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        18   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152    -92   .   .   23   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        19   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122    182   .   .   23   TYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        20   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167   -107   .   .   24   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        21   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121    181   .   .   24   ILE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        22   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127    -67   .   .   25   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        23   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112    172   .   .   25   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        24   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96    -36   .   .   27   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        25   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62     -2   .   .   27   ALA   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        26   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94    -34   .   .   28   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        27   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55      5   .   .   28   ASP   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        28   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96    -36   .   .   29   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        29   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68     -8   .   .   29   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
        30   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90    -30   .   .   30   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2rrt   1   
    stop_

save_





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