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
518086 2l00 cing 2-parsed STAR distance PRE 25


data_2l00_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2l00 
    _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_2l00   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2l00 
    _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   2l00   "Master copy"    parsed_2l00   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2l00 
    _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   2l00.mr   .   .   "MR format"     1    comment                       "Not applicable"      "Not applicable"     0   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      2    distance                       NOE                   simple              5   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      3    distance                      "hydrogen bond"        simple              4   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      4    distance                       PRE                  "Not applicable"    25   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      5    distance                      "general distance"     simple              0   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      6    distance                       NOE                   simple              0   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      7    distance                      "hydrogen bond"        simple              0   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      8    distance                       PRE                  "Not applicable"     0   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS      9    distance                      "general distance"     simple              0   parsed_2l00   1   
        1   2l00.mr   .   .    XPLOR/CNS     10    peak                          "Not applicable"      "Not applicable"     0   parsed_2l00   1   
        1   2l00.mr   .   .    unknown       11   "chemical shift difference"    "Not applicable"      "Not applicable"     0   parsed_2l00   1   
        1   2l00.mr   .   .   "MR format"    12   "nomenclature mapping"         "Not applicable"      "Not applicable"     0   parsed_2l00   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2l00 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     PRE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _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_2l00   1   
         2   1   .   .   .   parsed_2l00   1   
         3   1   .   .   .   parsed_2l00   1   
         4   1   .   .   .   parsed_2l00   1   
         5   1   .   .   .   parsed_2l00   1   
         6   1   .   .   .   parsed_2l00   1   
         7   1   .   .   .   parsed_2l00   1   
         8   1   .   .   .   parsed_2l00   1   
         9   1   .   .   .   parsed_2l00   1   
        10   1   .   .   .   parsed_2l00   1   
        11   1   .   .   .   parsed_2l00   1   
        12   1   .   .   .   parsed_2l00   1   
        13   1   .   .   .   parsed_2l00   1   
        14   1   .   .   .   parsed_2l00   1   
        15   1   .   .   .   parsed_2l00   1   
        16   1   .   .   .   parsed_2l00   1   
        17   1   .   .   .   parsed_2l00   1   
        18   1   .   .   .   parsed_2l00   1   
        19   1   .   .   .   parsed_2l00   1   
        20   1   .   .   .   parsed_2l00   1   
        21   1   .   .   .   parsed_2l00   1   
        22   1   .   .   .   parsed_2l00   1   
        23   1   .   .   .   parsed_2l00   1   
        24   1   .   .   .   parsed_2l00   1   
        25   1   .   .   .   parsed_2l00   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   .   .   .   .   .   .   .   .   A   12   .   HN   parsed_2l00   1   
         1   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         2   1   1   .   .   .   .   .   .   .   .   A   15   .   HN   parsed_2l00   1   
         2   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         3   1   1   .   .   .   .   .   .   .   .   A   16   .   HN   parsed_2l00   1   
         3   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         4   1   1   .   .   .   .   .   .   .   .   A   20   .   HN   parsed_2l00   1   
         4   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         5   1   1   .   .   .   .   .   .   .   .   A   21   .   HN   parsed_2l00   1   
         5   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         6   1   1   .   .   .   .   .   .   .   .   A   22   .   HN   parsed_2l00   1   
         6   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         7   1   1   .   .   .   .   .   .   .   .   A   23   .   HN   parsed_2l00   1   
         7   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         8   1   1   .   .   .   .   .   .   .   .   A   24   .   HN   parsed_2l00   1   
         8   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
         9   1   1   .   .   .   .   .   .   .   .   A   33   .   HN   parsed_2l00   1   
         9   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        10   1   1   .   .   .   .   .   .   .   .   A   14   .   HN   parsed_2l00   1   
        10   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        11   1   1   .   .   .   .   .   .   .   .   A   18   .   HN   parsed_2l00   1   
        11   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        12   1   1   .   .   .   .   .   .   .   .   A   34   .   HN   parsed_2l00   1   
        12   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        13   1   1   .   .   .   .   .   .   .   .   A   35   .   HN   parsed_2l00   1   
        13   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        14   1   1   .   .   .   .   .   .   .   .   A   19   .   HN   parsed_2l00   1   
        14   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        15   1   1   .   .   .   .   .   .   .   .   A   32   .   HN   parsed_2l00   1   
        15   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        16   1   1   .   .   .   .   .   .   .   .   A   25   .   HN   parsed_2l00   1   
        16   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        17   1   1   .   .   .   .   .   .   .   .   A   31   .   HN   parsed_2l00   1   
        17   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        18   1   1   .   .   .   .   .   .   .   .   A   36   .   HN   parsed_2l00   1   
        18   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        19   1   1   .   .   .   .   .   .   .   .   A   27   .   HN   parsed_2l00   1   
        19   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        20   1   1   .   .   .   .   .   .   .   .   A   28   .   HN   parsed_2l00   1   
        20   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        21   1   1   .   .   .   .   .   .   .   .   A   30   .   HN   parsed_2l00   1   
        21   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        22   1   1   .   .   .   .   .   .   .   .   A   37   .   HN   parsed_2l00   1   
        22   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        23   1   1   .   .   .   .   .   .   .   .   A   38   .   HN   parsed_2l00   1   
        23   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        24   1   1   .   .   .   .   .   .   .   .   A   39   .   HN   parsed_2l00   1   
        24   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   1   
        25   1   1   .   .   .   .   .   .   .   .   A   41   .   HN   parsed_2l00   1   
        25   1   2   .   .   .   .   .   .   .   .   B   48   .   CB   parsed_2l00   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   .   .   .   .   .   17.0   15.0   19.0   parsed_2l00   1   
         2   1   .   .   .   .   .   14.0   11.8   16.5   parsed_2l00   1   
         3   1   .   .   .   .   .   13.0   10.8   15.0   parsed_2l00   1   
         4   1   .   .   .   .   .   14.0   10.8   16.5   parsed_2l00   1   
         5   1   .   .   .   .   .   12.0    8.8   14.0   parsed_2l00   1   
         6   1   .   .   .   .   .   11.0    8.8   13.0   parsed_2l00   1   
         7   1   .   .   .   .   .    8.0    6.0   10.0   parsed_2l00   1   
         8   1   .   .   .   .   .   12.0    9.8   14.0   parsed_2l00   1   
         9   1   .   .   .   .   .   14.0   12.0   16.0   parsed_2l00   1   
        10   1   .   .   .   .   .   15.0   12.0   17.5   parsed_2l00   1   
        11   1   .   .   .   .   .   18.0   16.0   20.0   parsed_2l00   1   
        12   1   .   .   .   .   .   15.0   12.0   17.0   parsed_2l00   1   
        13   1   .   .   .   .   .   16.6   13.6   18.6   parsed_2l00   1   
        14   1   .   .   .   .   .   16.0   13.0   18.0   parsed_2l00   1   
        15   1   .   .   .   .   .   16.0   13.0   18.0   parsed_2l00   1   
        16   1   .   .   .   .   .   16.0   13.0   19.0   parsed_2l00   1   
        17   1   .   .   .   .   .   20.0   17.0   21.0   parsed_2l00   1   
        18   1   .   .   .   .   .   19.0   16.0   20.0   parsed_2l00   1   
        19   1   .   .   .   .   .   20.5   17.5   22.5   parsed_2l00   1   
        20   1   .   .   .   .   .   20.0   17.0   21.0   parsed_2l00   1   
        21   1   .   .   .   .   .   20.9   17.9   21.9   parsed_2l00   1   
        22   1   .   .   .   .   .   20.0   17.0   21.0   parsed_2l00   1   
        23   1   .   .   .   .   .   21.0   18.0   22.0   parsed_2l00   1   
        24   1   .   .   .   .   .   20.9   17.9   22.9   parsed_2l00   1   
        25   1   .   .   .   .   .   24.0   20.0   27.0   parsed_2l00   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 Class A - atenuated"               1   1    1   25   parsed_2l00   1   
        2   "PRE Class B - estimated distances"    14   1   14   35   parsed_2l00   1   
    stop_

save_





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