NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype item_count
497147 2kxp cing 2-parsed STAR distance PRE 47


data_2kxp_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kxp 
    _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_2kxp   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kxp 
    _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   2kxp   "Master copy"    parsed_2kxp   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kxp 
    _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   2kxp.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2kxp   1   
        1   2kxp.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi                0   parsed_2kxp   1   
        1   2kxp.mr   .   .    XPLOR/CNS     3    distance                  PRE                "Not applicable"    47   parsed_2kxp   1   
        1   2kxp.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2kxp   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2kxp 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     PRE 
    _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_2kxp   1   
         2   1   .   .   .   parsed_2kxp   1   
         3   1   .   .   .   parsed_2kxp   1   
         4   1   .   .   .   parsed_2kxp   1   
         5   1   .   .   .   parsed_2kxp   1   
         6   1   .   .   .   parsed_2kxp   1   
         7   1   .   .   .   parsed_2kxp   1   
         8   1   .   .   .   parsed_2kxp   1   
         9   1   .   .   .   parsed_2kxp   1   
        10   1   .   .   .   parsed_2kxp   1   
        11   1   .   .   .   parsed_2kxp   1   
        12   1   .   .   .   parsed_2kxp   1   
        13   1   .   .   .   parsed_2kxp   1   
        14   1   .   .   .   parsed_2kxp   1   
        15   1   .   .   .   parsed_2kxp   1   
        16   1   .   .   .   parsed_2kxp   1   
        17   1   .   .   .   parsed_2kxp   1   
        18   1   .   .   .   parsed_2kxp   1   
        19   1   .   .   .   parsed_2kxp   1   
        20   1   .   .   .   parsed_2kxp   1   
        21   1   .   .   .   parsed_2kxp   1   
        22   1   .   .   .   parsed_2kxp   1   
        23   1   .   .   .   parsed_2kxp   1   
        24   1   .   .   .   parsed_2kxp   1   
        25   1   .   .   .   parsed_2kxp   1   
        26   1   .   .   .   parsed_2kxp   1   
        27   1   .   .   .   parsed_2kxp   1   
        28   1   .   .   .   parsed_2kxp   1   
        29   1   .   .   .   parsed_2kxp   1   
        30   1   .   .   .   parsed_2kxp   1   
        31   1   .   .   .   parsed_2kxp   1   
        32   1   .   .   .   parsed_2kxp   1   
        33   1   .   .   .   parsed_2kxp   1   
        34   1   .   .   .   parsed_2kxp   1   
        35   1   .   .   .   parsed_2kxp   1   
        36   1   .   .   .   parsed_2kxp   1   
        37   1   .   .   .   parsed_2kxp   1   
        38   1   .   .   .   parsed_2kxp   1   
        39   1   .   .   .   parsed_2kxp   1   
        40   1   .   .   .   parsed_2kxp   1   
        41   1   .   .   .   parsed_2kxp   1   
        42   1   .   .   .   parsed_2kxp   1   
        43   1   .   .   .   parsed_2kxp   1   
        44   1   .   .   .   parsed_2kxp   1   
        45   1   .   .   .   parsed_2kxp   1   
        46   1   .   .   .   parsed_2kxp   1   
        47   1   .   .   .   parsed_2kxp   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   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         1   1   2   .   .   .   .   .   .   .   .   .   262   .   HN   parsed_2kxp   1   
         2   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         2   1   2   .   .   .   .   .   .   .   .   .   261   .   HN   parsed_2kxp   1   
         3   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         3   1   2   .   .   .   .   .   .   .   .   .   264   .   HN   parsed_2kxp   1   
         4   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         4   1   2   .   .   .   .   .   .   .   .   .   266   .   HN   parsed_2kxp   1   
         5   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         5   1   2   .   .   .   .   .   .   .   .   .   269   .   HN   parsed_2kxp   1   
         6   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         6   1   2   .   .   .   .   .   .   .   .   .   256   .   HN   parsed_2kxp   1   
         7   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         7   1   2   .   .   .   .   .   .   .   .   .   479   .   HN   parsed_2kxp   1   
         8   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         8   1   2   .   .   .   .   .   .   .   .   .   417   .   HN   parsed_2kxp   1   
         9   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
         9   1   2   .   .   .   .   .   .   .   .   .   267   .   HN   parsed_2kxp   1   
        10   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        10   1   2   .   .   .   .   .   .   .   .   .   271   .   HN   parsed_2kxp   1   
        11   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        11   1   2   .   .   .   .   .   .   .   .   .   260   .   HN   parsed_2kxp   1   
        12   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        12   1   2   .   .   .   .   .   .   .   .   .   438   .   HN   parsed_2kxp   1   
        13   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        13   1   2   .   .   .   .   .   .   .   .   .   446   .   HN   parsed_2kxp   1   
        14   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        14   1   2   .   .   .   .   .   .   .   .   .   528   .   HN   parsed_2kxp   1   
        15   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        15   1   2   .   .   .   .   .   .   .   .   .   489   .   HN   parsed_2kxp   1   
        16   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        16   1   2   .   .   .   .   .   .   .   .   .   359   .   HN   parsed_2kxp   1   
        17   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        17   1   2   .   .   .   .   .   .   .   .   .   485   .   HN   parsed_2kxp   1   
        18   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        18   1   2   .   .   .   .   .   .   .   .   .   486   .   HN   parsed_2kxp   1   
        19   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        19   1   2   .   .   .   .   .   .   .   .   .   357   .   HN   parsed_2kxp   1   
        20   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        20   1   2   .   .   .   .   .   .   .   .   .   265   .   HN   parsed_2kxp   1   
        21   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        21   1   2   .   .   .   .   .   .   .   .   .   244   .   HN   parsed_2kxp   1   
        22   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        22   1   2   .   .   .   .   .   .   .   .   .   270   .   HN   parsed_2kxp   1   
        23   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        23   1   2   .   .   .   .   .   .   .   .   .   268   .   HN   parsed_2kxp   1   
        24   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        24   1   2   .   .   .   .   .   .   .   .   .   259   .   HN   parsed_2kxp   1   
        25   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        25   1   2   .   .   .   .   .   .   .   .   .   355   .   HN   parsed_2kxp   1   
        26   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        26   1   2   .   .   .   .   .   .   .   .   .   344   .   HN   parsed_2kxp   1   
        27   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        27   1   2   .   .   .   .   .   .   .   .   .   487   .   HN   parsed_2kxp   1   
        28   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        28   1   2   .   .   .   .   .   .   .   .   .   415   .   HN   parsed_2kxp   1   
        29   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        29   1   2   .   .   .   .   .   .   .   .   .   347   .   HN   parsed_2kxp   1   
        30   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        30   1   2   .   .   .   .   .   .   .   .   .   350   .   HN   parsed_2kxp   1   
        31   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        31   1   2   .   .   .   .   .   .   .   .   .   345   .   HN   parsed_2kxp   1   
        32   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        32   1   2   .   .   .   .   .   .   .   .   .   494   .   HN   parsed_2kxp   1   
        33   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        33   1   2   .   .   .   .   .   .   .   .   .   312   .   HN   parsed_2kxp   1   
        34   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        34   1   2   .   .   .   .   .   .   .   .   .   241   .   HN   parsed_2kxp   1   
        35   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        35   1   2   .   .   .   .   .   .   .   .   .   278   .   HN   parsed_2kxp   1   
        36   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        36   1   2   .   .   .   .   .   .   .   .   .   384   .   HN   parsed_2kxp   1   
        37   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        37   1   2   .   .   .   .   .   .   .   .   .   319   .   HN   parsed_2kxp   1   
        38   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        38   1   2   .   .   .   .   .   .   .   .   .   548   .   HN   parsed_2kxp   1   
        39   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        39   1   2   .   .   .   .   .   .   .   .   .   457   .   HN   parsed_2kxp   1   
        40   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        40   1   2   .   .   .   .   .   .   .   .   .   352   .   HN   parsed_2kxp   1   
        41   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        41   1   2   .   .   .   .   .   .   .   .   .   356   .   HN   parsed_2kxp   1   
        42   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        42   1   2   .   .   .   .   .   .   .   .   .   362   .   HN   parsed_2kxp   1   
        43   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        43   1   2   .   .   .   .   .   .   .   .   .   478   .   HN   parsed_2kxp   1   
        44   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        44   1   2   .   .   .   .   .   .   .   .   .   363   .   HN   parsed_2kxp   1   
        45   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        45   1   2   .   .   .   .   .   .   .   .   .   390   .   HN   parsed_2kxp   1   
        46   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        46   1   2   .   .   .   .   .   .   .   .   .   496   .   HN   parsed_2kxp   1   
        47   1   1   .   .   .   .   .   .   .   .   .   607   .   CE   parsed_2kxp   1   
        47   1   2   .   .   .   .   .   .   .   .   .   358   .   HN   parsed_2kxp   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   .   .   .   .   .    9.0   1.0   16.0   parsed_2kxp   1   
         2   1   .   .   .   .   .    9.0   1.0   16.0   parsed_2kxp   1   
         3   1   .   .   .   .   .    9.0   1.0   16.0   parsed_2kxp   1   
         4   1   .   .   .   .   .    9.0   1.0   16.0   parsed_2kxp   1   
         5   1   .   .   .   .   .    9.0   1.0   16.0   parsed_2kxp   1   
         6   1   .   .   .   .   .    9.0   1.0   16.0   parsed_2kxp   1   
         7   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
         8   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
         9   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
        10   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
        11   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
        12   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
        13   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
        14   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
        15   1   .   .   .   .   .   16.0   1.0   25.0   parsed_2kxp   1   
        16   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        17   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        18   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        19   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        20   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        21   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        22   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        23   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        24   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        25   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        26   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        27   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        28   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        29   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        30   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        31   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        32   1   .   .   .   .   .   19.0   1.0   35.0   parsed_2kxp   1   
        33   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        34   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        35   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        36   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        37   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        38   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        39   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        40   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        41   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        42   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        43   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        44   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        45   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        46   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
        47   1   .   .   .   .   .   26.0   1.0   50.0   parsed_2kxp   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   
;
PRE constraints
PRE to CPab (group A, A < 0.1)
;
    1   1    2   32   parsed_2kxp   1   
        2   "pre to CPab (group X, 0.1 < X < 0.2)"     9   1    9   39   parsed_2kxp   1   
        3   "PRE to CPab (group Y, 0.2 < Y < 0.3)"    19   1   19   38   parsed_2kxp   1   
        4   "PRE to CPab (group Z, 0.3 < Z < 0.5)"    37   1   37   38   parsed_2kxp   1   
    stop_

save_





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