data_5aay_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5aay 
    _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_5aay   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5aay 
    _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   5aay   "Master copy"    parsed_5aay   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5aay 
    _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   5aay.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_5aay   1   
        1   5aay.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             597   parsed_5aay   1   
        1   5aay.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     simple              10   parsed_5aay   1   
        1   5aay.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_5aay   1   
        1   5aay.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_5aay   1   
        1   5aay.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_5aay   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5aay 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_5aay   1   
         2   1   .   .   .   parsed_5aay   1   
         3   1   .   .   .   parsed_5aay   1   
         4   1   .   .   .   parsed_5aay   1   
         5   1   .   .   .   parsed_5aay   1   
         6   1   .   .   .   parsed_5aay   1   
         7   1   .   .   .   parsed_5aay   1   
         8   1   .   .   .   parsed_5aay   1   
         9   1   .   .   .   parsed_5aay   1   
        10   1   .   .   .   parsed_5aay   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .   397   .   SG    parsed_5aay   1   
         1   1   2   .   .   .   .   .   .   .   .   .   400   .   SG    parsed_5aay   1   
         2   1   1   .   .   .   .   .   .   .   .   .   397   .   SG    parsed_5aay   1   
         2   1   2   .   .   .   .   .   .   .   .   .   413   .   NE2   parsed_5aay   1   
         3   1   1   .   .   .   .   .   .   .   .   .   397   .   SG    parsed_5aay   1   
         3   1   2   .   .   .   .   .   .   .   .   .   417   .   SG    parsed_5aay   1   
         4   1   1   .   .   .   .   .   .   .   .   .   400   .   SG    parsed_5aay   1   
         4   1   2   .   .   .   .   .   .   .   .   .   413   .   NE2   parsed_5aay   1   
         5   1   1   .   .   .   .   .   .   .   .   .   400   .   SG    parsed_5aay   1   
         5   1   2   .   .   .   .   .   .   .   .   .   417   .   SG    parsed_5aay   1   
         6   1   1   .   .   .   .   .   .   .   .   .   413   .   NE2   parsed_5aay   1   
         6   1   2   .   .   .   .   .   .   .   .   .   417   .   SG    parsed_5aay   1   
         7   1   1   .   .   .   .   .   .   .   .   .   397   .   SG    parsed_5aay   1   
         7   1   2   .   .   .   .   .   .   .   .   .   397   .   Z1    parsed_5aay   1   
         8   1   1   .   .   .   .   .   .   .   .   .   400   .   SG    parsed_5aay   1   
         8   1   2   .   .   .   .   .   .   .   .   .   397   .   Z1    parsed_5aay   1   
         9   1   1   .   .   .   .   .   .   .   .   .   417   .   SG    parsed_5aay   1   
         9   1   2   .   .   .   .   .   .   .   .   .   397   .   Z1    parsed_5aay   1   
        10   1   1   .   .   .   .   .   .   .   .   .   413   .   NE2   parsed_5aay   1   
        10   1   2   .   .   .   .   .   .   .   .   .   397   .   Z1    parsed_5aay   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   3.75   3.55   3.95   parsed_5aay   1   
         2   1   .   .   .   .   .   3.45   3.25   3.65   parsed_5aay   1   
         3   1   .   .   .   .   .   3.75   3.55   3.95   parsed_5aay   1   
         4   1   .   .   .   .   .   3.45   3.25   3.65   parsed_5aay   1   
         5   1   .   .   .   .   .   3.75   3.55   3.95   parsed_5aay   1   
         6   1   .   .   .   .   .   3.45   3.25   3.65   parsed_5aay   1   
         7   1   .   .   .   .   .   2.30   2.25   2.35   parsed_5aay   1   
         8   1   .   .   .   .   .   2.30   2.25   2.35   parsed_5aay   1   
         9   1   .   .   .   .   .   2.30   2.25   2.35   parsed_5aay   1   
        10   1   .   .   .   .   .   2.10   2.05   2.15   parsed_5aay   1   
    stop_

save_



