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
584234 2mjr 11552 cing 2-parsed STAR distance general distance simple 14


data_2mjr_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mjr 
    _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_2mjr   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mjr 
    _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   2mjr   "Master copy"    parsed_2mjr   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mjr 
    _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   2mjr.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2mjr   1   
        1   2mjr.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             141   parsed_2mjr   1   
        1   2mjr.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"      "Not applicable"     16   parsed_2mjr   1   
        1   2mjr.mr   .   .    XPLOR/CNS     4    distance                 "general distance"     simple              14   parsed_2mjr   1   
        1   2mjr.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2mjr   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mjr 
    _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_2mjr   1   
         2   1   .   .   .   parsed_2mjr   1   
         3   1   .   .   .   parsed_2mjr   1   
         4   1   .   .   .   parsed_2mjr   1   
         5   1   .   .   .   parsed_2mjr   1   
         6   1   .   .   .   parsed_2mjr   1   
         7   1   .   .   .   parsed_2mjr   1   
         8   1   .   .   .   parsed_2mjr   1   
         9   1   .   .   .   parsed_2mjr   1   
        10   1   .   .   .   parsed_2mjr   1   
        11   1   .   .   .   parsed_2mjr   1   
        12   1   .   .   .   parsed_2mjr   1   
        13   1   .   .   .   parsed_2mjr   1   
        14   1   .   .   .   parsed_2mjr   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   .   .   .   .   .   .   .   .   .    2   .   HA   parsed_2mjr   1   
         1   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         2   1   1   .   .   .   .   .   .   .   .   .    3   .   HA   parsed_2mjr   1   
         2   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         3   1   1   .   .   .   .   .   .   .   .   .    4   .   HA   parsed_2mjr   1   
         3   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         4   1   1   .   .   .   .   .   .   .   .   .    5   .   HA   parsed_2mjr   1   
         4   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         5   1   1   .   .   .   .   .   .   .   .   .    5   .   HN   parsed_2mjr   1   
         5   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         6   1   1   .   .   .   .   .   .   .   .   .    6   .   HA   parsed_2mjr   1   
         6   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         7   1   1   .   .   .   .   .   .   .   .   .    6   .   HN   parsed_2mjr   1   
         7   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         8   1   1   .   .   .   .   .   .   .   .   .    7   .   HA   parsed_2mjr   1   
         8   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
         9   1   1   .   .   .   .   .   .   .   .   .    7   .   HN   parsed_2mjr   1   
         9   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
        10   1   1   .   .   .   .   .   .   .   .   .    8   .   HA   parsed_2mjr   1   
        10   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
        11   1   1   .   .   .   .   .   .   .   .   .    9   .   HA   parsed_2mjr   1   
        11   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
        12   1   1   .   .   .   .   .   .   .   .   .    9   .   HN   parsed_2mjr   1   
        12   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
        13   1   1   .   .   .   .   .   .   .   .   .   10   .   HA   parsed_2mjr   1   
        13   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   1   
        14   1   1   .   .   .   .   .   .   .   .   .   10   .   HN   parsed_2mjr   1   
        14   1   2   .   .   .   .   .   .   .   .   .   32   .   X    parsed_2mjr   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   .   .   .   .   .   17.92   16.92   18.92   parsed_2mjr   1   
         2   1   .   .   .   .   .   16.53   15.53   17.53   parsed_2mjr   1   
         3   1   .   .   .   .   .   21.52   20.52   22.52   parsed_2mjr   1   
         4   1   .   .   .   .   .   20.29   19.29   21.29   parsed_2mjr   1   
         5   1   .   .   .   .   .   19.20   18.20   20.20   parsed_2mjr   1   
         6   1   .   .   .   .   .   16.13   15.13   17.13   parsed_2mjr   1   
         7   1   .   .   .   .   .   16.46   15.46   17.46   parsed_2mjr   1   
         8   1   .   .   .   .   .   18.89   17.89   19.89   parsed_2mjr   1   
         9   1   .   .   .   .   .   17.93   16.93   18.93   parsed_2mjr   1   
        10   1   .   .   .   .   .   22.45   21.45   23.45   parsed_2mjr   1   
        11   1   .   .   .   .   .   19.75   18.75   20.75   parsed_2mjr   1   
        12   1   .   .   .   .   .   19.08   18.08   20.08   parsed_2mjr   1   
        13   1   .   .   .   .   .   18.52   17.52   19.52   parsed_2mjr   1   
        14   1   .   .   .   .   .   17.91   16.91   18.91   parsed_2mjr   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   "distance constraints to micelle center (X)"     1    1    1   45   parsed_2mjr   1   
         2   "peak no  599"                                   2   75    2   88   parsed_2mjr   1   
         3   "peak no  599"                                   3   75    3   88   parsed_2mjr   1   
         4   "peak no  599"                                   4   75    4   88   parsed_2mjr   1   
         5   "peak no  599"                                   5   75    5   88   parsed_2mjr   1   
         6   "peak no  599"                                   6   75    6   88   parsed_2mjr   1   
         7   "peak no  599"                                   7   75    7   88   parsed_2mjr   1   
         8   "peak no  599"                                   8   75    8   88   parsed_2mjr   1   
         9   "peak no  599"                                   9   75    9   88   parsed_2mjr   1   
        10   "peak no  599"                                  10   75   10   88   parsed_2mjr   1   
        11   "peak no  599"                                  11   75   11   88   parsed_2mjr   1   
        12   "peak no  599"                                  12   75   12   88   parsed_2mjr   1   
        13   "peak no  599"                                  13   75   13   88   parsed_2mjr   1   
        14   "peak no  599"                                  14   75   14   88   parsed_2mjr   1   
        15   "peak no  599"                                  15   75   15   88   parsed_2mjr   1   
    stop_

save_





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