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
505450 2yrh 11238 cing 2-parsed STAR dihedral angle 36


data_2yrh_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2yrh 
    _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_2yrh   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2yrh 
    _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   2yrh   "Master copy"    parsed_2yrh   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2yrh 
    _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   2yrh.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_2yrh   1   
        1   2yrh.mr   .   .    DYANA/DIANA   2    distance                 "general distance"     simple             12   parsed_2yrh   1   
        1   2yrh.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple             12   parsed_2yrh   1   
        1   2yrh.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"      "Not applicable"    36   parsed_2yrh   1   
        1   2yrh.mr   .   .    DYANA/DIANA   5   "dihedral combo"           ambi                 "Not applicable"     0   parsed_2yrh   1   
        1   2yrh.mr   .   .    DYANA/DIANA   6   "dihedral angle"          "Not applicable"      "Not applicable"     0   parsed_2yrh   1   
        1   2yrh.mr   .   .    DYANA/DIANA   7    distance                  NOE                   simple              0   parsed_2yrh   1   
        1   2yrh.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_2yrh   1   
    stop_

save_


save_DYANA/DIANA_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2yrh 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -121.8    -61.8   .   .    9   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114.6    174.6   .   .    9   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.5    -71.5   .   .   11   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     92.0    152.1   .   .   11   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.6    -86.6   .   .   12   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.0    165.0   .   .   12   VAL   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.2    -53.2   .   .   13   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.4    159.4   .   .   13   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.5    -34.5   .   .   14   ASN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.5      6.5   .   .   14   ASN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.3    -53.3   .   .   15   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.8      2.2   .   .   15   GLU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -168.8   -108.8   .   .   20   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    119.3    179.3   .   .   20   PHE   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.7    -32.7   .   .   23   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.2     -5.1   .   .   23   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.9    -33.9   .   .   24   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.4    -11.4   .   .   24   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.5    -35.5   .   .   25   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.1    -11.1   .   .   25   CYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.7    -34.7   .   .   26   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.0    -16.0   .   .   26   LEU   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.1    -34.1   .   .   27   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.4     -7.4   .   .   27   SER   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.8    -37.8   .   .   28   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.9     -6.9   .   .   28   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.5    -32.5   .   .   29   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.9    -12.9   .   .   29   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.8    -34.8   .   .   30   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.2    -10.2   .   .   30   GLN   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.6    -36.6   .   .   31   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.1    -10.1   .   .   31   ARG   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.5    -45.5   .   .   33   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.3      2.7   .   .   33   HIS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -114.6    -54.6   .   .   37   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.2    169.2   .   .   37   LYS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2yrh   1   
    stop_

save_





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