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 subtype subsubtype item_count
511269 2lc5 15663 cing 2-parsed STAR distance general distance simple 22


data_2lc5_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lc5 
    _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_2lc5   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lc5 
    _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   2lc5   "Master copy"    parsed_2lc5   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lc5 
    _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   2lc5.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2lc5   1   
        1   2lc5.mr   .   .    DYANA/DIANA   2    distance                  NOE                   simple             932   parsed_2lc5   1   
        1   2lc5.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"      "Not applicable"    116   parsed_2lc5   1   
        1   2lc5.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple              22   parsed_2lc5   1   
        1   2lc5.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2lc5   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lc5 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _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_2lc5   1   
         2   1   .   .   .   parsed_2lc5   1   
         3   1   .   .   .   parsed_2lc5   1   
         4   1   .   .   .   parsed_2lc5   1   
         5   1   .   .   .   parsed_2lc5   1   
         6   1   .   .   .   parsed_2lc5   1   
         7   1   .   .   .   parsed_2lc5   1   
         8   1   .   .   .   parsed_2lc5   1   
         9   1   .   .   .   parsed_2lc5   1   
        10   1   .   .   .   parsed_2lc5   1   
        11   1   .   .   .   parsed_2lc5   1   
        12   1   .   .   .   parsed_2lc5   1   
        13   1   .   .   .   parsed_2lc5   1   
        14   1   .   .   .   parsed_2lc5   1   
        15   1   .   .   .   parsed_2lc5   1   
        16   1   .   .   .   parsed_2lc5   1   
        17   1   .   .   .   parsed_2lc5   1   
        18   1   .   .   .   parsed_2lc5   1   
        19   1   .   .   .   parsed_2lc5   1   
        20   1   .   .   .   parsed_2lc5   1   
        21   1   .   .   .   parsed_2lc5   1   
        22   1   .   .   .   parsed_2lc5   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   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         1   1   2   .   .   .   .   .   .   .   .   .    24   ASP   CG    parsed_2lc5   1   
         2   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         2   1   2   .   .   .   .   .   .   .   .   .    24   ASP   OD1   parsed_2lc5   1   
         3   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         3   1   2   .   .   .   .   .   .   .   .   .    24   ASP   OD2   parsed_2lc5   1   
         4   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         4   1   2   .   .   .   .   .   .   .   .   .    26   ASP   CG    parsed_2lc5   1   
         5   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         5   1   2   .   .   .   .   .   .   .   .   .    26   ASP   OD1   parsed_2lc5   1   
         6   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         6   1   2   .   .   .   .   .   .   .   .   .    26   ASP   OD2   parsed_2lc5   1   
         7   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         7   1   2   .   .   .   .   .   .   .   .   .    28   ASP   CG    parsed_2lc5   1   
         8   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         8   1   2   .   .   .   .   .   .   .   .   .    28   ASP   OD1   parsed_2lc5   1   
         9   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
         9   1   2   .   .   .   .   .   .   .   .   .    28   ASP   OD2   parsed_2lc5   1   
        10   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
        10   1   2   .   .   .   .   .   .   .   .   .    30   LYS   O     parsed_2lc5   1   
        11   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
        11   1   2   .   .   .   .   .   .   .   .   .    35   GLU   OE1   parsed_2lc5   1   
        12   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
        12   1   2   .   .   .   .   .   .   .   .   .    35   GLU   OE2   parsed_2lc5   1   
        13   1   1   .   .   .   .   .   .   .   .   .   250   ORI   A0    parsed_2lc5   1   
        13   1   2   .   .   .   .   .   .   .   .   .    35   GLU   CD    parsed_2lc5   1   
        14   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        14   1   2   .   .   .   .   .   .   .   .   .    60   ASP   CG    parsed_2lc5   1   
        15   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        15   1   2   .   .   .   .   .   .   .   .   .    60   ASP   OD1   parsed_2lc5   1   
        16   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        16   1   2   .   .   .   .   .   .   .   .   .    60   ASP   OD2   parsed_2lc5   1   
        17   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        17   1   2   .   .   .   .   .   .   .   .   .    62   ASP   CG    parsed_2lc5   1   
        18   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        18   1   2   .   .   .   .   .   .   .   .   .    62   ASP   OD1   parsed_2lc5   1   
        19   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        19   1   2   .   .   .   .   .   .   .   .   .    62   ASP   OD2   parsed_2lc5   1   
        20   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        20   1   2   .   .   .   .   .   .   .   .   .    64   SER   O     parsed_2lc5   1   
        21   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        21   1   2   .   .   .   .   .   .   .   .   .    66   LYS   O     parsed_2lc5   1   
        22   1   1   .   .   .   .   .   .   .   .   .   300   ORI   A0    parsed_2lc5   1   
        22   1   2   .   .   .   .   .   .   .   .   .    71   THR   OG1   parsed_2lc5   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   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         2   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         3   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         4   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         5   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         6   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         7   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         8   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
         9   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        10   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        11   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        12   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        13   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        14   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        15   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        16   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        17   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        18   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        19   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        20   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        21   1   .   .   .   .   .   .   .   5   parsed_2lc5   1   
        22   1   .   .   .   .   .   .   .   5   parsed_2lc5   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   "Calcium coordination"     1    1    1   21   parsed_2lc5   1   
         2   "peak 2501"                3   34    3   43   parsed_2lc5   1   
         3   "peak 2502"                4   34    4   44   parsed_2lc5   1   
         4   "peak 2503"                5   34    5   43   parsed_2lc5   1   
         5   "peak 2504"                6   34    6   43   parsed_2lc5   1   
         6   "peak 2505"                7   34    7   43   parsed_2lc5   1   
         7   "peak 2506"                8   34    8   43   parsed_2lc5   1   
         8   "peak 2507"                9   34    9   43   parsed_2lc5   1   
         9   "peak 2508"               10   34   10   43   parsed_2lc5   1   
        10   "peak 2509"               11   34   11   43   parsed_2lc5   1   
        11   "peak 2510"               12   34   12   43   parsed_2lc5   1   
        12   "peak 2511"               13   34   13   43   parsed_2lc5   1   
        13   "peak 2512"               14   34   14   43   parsed_2lc5   1   
        14   "peak 2513"               15   34   15   43   parsed_2lc5   1   
        15   "peak 2514"               16   34   16   43   parsed_2lc5   1   
        16   "peak 2515"               17   34   17   43   parsed_2lc5   1   
        17   "peak 2516"               18   34   18   43   parsed_2lc5   1   
        18   "peak 2517"               19   34   19   43   parsed_2lc5   1   
        19   "peak 2518"               20   34   20   43   parsed_2lc5   1   
        20   "peak 2519"               21   34   21   43   parsed_2lc5   1   
        21   "peak 2520"               22   34   22   43   parsed_2lc5   1   
        22   "peak 2521"               23   34   23   43   parsed_2lc5   1   
        23   "peak 2522"               24   34   24   43   parsed_2lc5   1   
    stop_

save_





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