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
640525 6ed9 30506 cing 2-parsed STAR distance NOE simple 29


data_6ed9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6ed9 
    _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_6ed9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6ed9 
    _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   6ed9   "Master copy"    parsed_6ed9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6ed9 
    _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   6ed9.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_6ed9   1   
        1   6ed9.mr   .   .    DYANA/DIANA   2    distance                 "hydrogen bond"      simple             200   parsed_6ed9   1   
        1   6ed9.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple              29   parsed_6ed9   1   
        1   6ed9.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_6ed9   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6ed9 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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_6ed9   1   
         2   1   .   .   .   parsed_6ed9   1   
         3   1   .   .   .   parsed_6ed9   1   
         4   1   .   .   .   parsed_6ed9   1   
         5   1   .   .   .   parsed_6ed9   1   
         6   1   .   .   .   parsed_6ed9   1   
         7   1   .   .   .   parsed_6ed9   1   
         8   1   .   .   .   parsed_6ed9   1   
         9   1   .   .   .   parsed_6ed9   1   
        10   1   .   .   .   parsed_6ed9   1   
        11   1   .   .   .   parsed_6ed9   1   
        12   1   .   .   .   parsed_6ed9   1   
        13   1   .   .   .   parsed_6ed9   1   
        14   1   .   .   .   parsed_6ed9   1   
        15   1   .   .   .   parsed_6ed9   1   
        16   1   .   .   .   parsed_6ed9   1   
        17   1   .   .   .   parsed_6ed9   1   
        18   1   .   .   .   parsed_6ed9   1   
        19   1   .   .   .   parsed_6ed9   1   
        20   1   .   .   .   parsed_6ed9   1   
        21   1   .   .   .   parsed_6ed9   1   
        22   1   .   .   .   parsed_6ed9   1   
        23   1   .   .   .   parsed_6ed9   1   
        24   1   .   .   .   parsed_6ed9   1   
        25   1   .   .   .   parsed_6ed9   1   
        26   1   .   .   .   parsed_6ed9   1   
        27   1   .   .   .   parsed_6ed9   1   
        28   1   .   .   .   parsed_6ed9   1   
        29   1   .   .   .   parsed_6ed9   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   .   .   .   .   .   .   .   .   .    1   DT   H1'   parsed_6ed9   1   
         1   1   2   .   .   .   .   .   .   .   .   .    1   DT   H2'   parsed_6ed9   1   
         2   1   1   .   .   .   .   .   .   .   .   .    2   DG   H1'   parsed_6ed9   1   
         2   1   2   .   .   .   .   .   .   .   .   .    2   DG   H2"   parsed_6ed9   1   
         3   1   1   .   .   .   .   .   .   .   .   .    3   DG   H1'   parsed_6ed9   1   
         3   1   2   .   .   .   .   .   .   .   .   .    3   DG   H2"   parsed_6ed9   1   
         4   1   1   .   .   .   .   .   .   .   .   .    4   DG   H1'   parsed_6ed9   1   
         4   1   2   .   .   .   .   .   .   .   .   .    4   DG   H2"   parsed_6ed9   1   
         5   1   1   .   .   .   .   .   .   .   .   .    5   DC   H1'   parsed_6ed9   1   
         5   1   2   .   .   .   .   .   .   .   .   .    5   DC   H2'   parsed_6ed9   1   
         6   1   1   .   .   .   .   .   .   .   .   .    5   DC   H1'   parsed_6ed9   1   
         6   1   2   .   .   .   .   .   .   .   .   .    5   DC   H2"   parsed_6ed9   1   
         7   1   1   .   .   .   .   .   .   .   .   .    7   DG   H1'   parsed_6ed9   1   
         7   1   2   .   .   .   .   .   .   .   .   .    7   DG   H2'   parsed_6ed9   1   
         8   1   1   .   .   .   .   .   .   .   .   .    7   DG   H1'   parsed_6ed9   1   
         8   1   2   .   .   .   .   .   .   .   .   .    7   DG   H2"   parsed_6ed9   1   
         9   1   1   .   .   .   .   .   .   .   .   .    8   DG   H1'   parsed_6ed9   1   
         9   1   2   .   .   .   .   .   .   .   .   .    8   DG   H2'   parsed_6ed9   1   
        10   1   1   .   .   .   .   .   .   .   .   .    8   DG   H1'   parsed_6ed9   1   
        10   1   2   .   .   .   .   .   .   .   .   .    8   DG   H2"   parsed_6ed9   1   
        11   1   1   .   .   .   .   .   .   .   .   .    9   DA   H1'   parsed_6ed9   1   
        11   1   2   .   .   .   .   .   .   .   .   .    9   DA   H2'   parsed_6ed9   1   
        12   1   1   .   .   .   .   .   .   .   .   .    9   DA   H1'   parsed_6ed9   1   
        12   1   2   .   .   .   .   .   .   .   .   .    9   DA   H2"   parsed_6ed9   1   
        13   1   1   .   .   .   .   .   .   .   .   .   18   DA   H1'   parsed_6ed9   1   
        13   1   2   .   .   .   .   .   .   .   .   .   18   DA   H2'   parsed_6ed9   1   
        14   1   1   .   .   .   .   .   .   .   .   .   18   DA   H1'   parsed_6ed9   1   
        14   1   2   .   .   .   .   .   .   .   .   .   18   DA   H2"   parsed_6ed9   1   
        15   1   1   .   .   .   .   .   .   .   .   .   17   DC   H1'   parsed_6ed9   1   
        15   1   2   .   .   .   .   .   .   .   .   .   17   DC   H2'   parsed_6ed9   1   
        16   1   1   .   .   .   .   .   .   .   .   .   17   DC   H1'   parsed_6ed9   1   
        16   1   2   .   .   .   .   .   .   .   .   .   17   DC   H2"   parsed_6ed9   1   
        17   1   1   .   .   .   .   .   .   .   .   .   16   DC   H1'   parsed_6ed9   1   
        17   1   2   .   .   .   .   .   .   .   .   .   16   DC   H2'   parsed_6ed9   1   
        18   1   1   .   .   .   .   .   .   .   .   .   16   DC   H1'   parsed_6ed9   1   
        18   1   2   .   .   .   .   .   .   .   .   .   16   DC   H2"   parsed_6ed9   1   
        19   1   1   .   .   .   .   .   .   .   .   .   15   DC   H1'   parsed_6ed9   1   
        19   1   2   .   .   .   .   .   .   .   .   .   15   DC   H2'   parsed_6ed9   1   
        20   1   1   .   .   .   .   .   .   .   .   .   15   DC   H1'   parsed_6ed9   1   
        20   1   2   .   .   .   .   .   .   .   .   .   15   DC   H2"   parsed_6ed9   1   
        21   1   1   .   .   .   .   .   .   .   .   .   14   DG   H1'   parsed_6ed9   1   
        21   1   2   .   .   .   .   .   .   .   .   .   14   DG   H2"   parsed_6ed9   1   
        22   1   1   .   .   .   .   .   .   .   .   .   13   DC   H1'   parsed_6ed9   1   
        22   1   2   .   .   .   .   .   .   .   .   .   13   DC   H2'   parsed_6ed9   1   
        23   1   1   .   .   .   .   .   .   .   .   .   13   DC   H1'   parsed_6ed9   1   
        23   1   2   .   .   .   .   .   .   .   .   .   13   DC   H2"   parsed_6ed9   1   
        24   1   1   .   .   .   .   .   .   .   .   .   12   DC   H1'   parsed_6ed9   1   
        24   1   2   .   .   .   .   .   .   .   .   .   12   DC   H2'   parsed_6ed9   1   
        25   1   1   .   .   .   .   .   .   .   .   .   12   DC   H1'   parsed_6ed9   1   
        25   1   2   .   .   .   .   .   .   .   .   .   12   DC   H2"   parsed_6ed9   1   
        26   1   1   .   .   .   .   .   .   .   .   .   11   DC   H1'   parsed_6ed9   1   
        26   1   2   .   .   .   .   .   .   .   .   .   11   DC   H2'   parsed_6ed9   1   
        27   1   1   .   .   .   .   .   .   .   .   .   11   DC   H1'   parsed_6ed9   1   
        27   1   2   .   .   .   .   .   .   .   .   .   11   DC   H2"   parsed_6ed9   1   
        28   1   1   .   .   .   .   .   .   .   .   .   10   DT   H1'   parsed_6ed9   1   
        28   1   2   .   .   .   .   .   .   .   .   .   10   DT   H2'   parsed_6ed9   1   
        29   1   1   .   .   .   .   .   .   .   .   .   10   DT   H1'   parsed_6ed9   1   
        29   1   2   .   .   .   .   .   .   .   .   .   10   DT   H2"   parsed_6ed9   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   .   .   .   .   .   .   .   10.30   parsed_6ed9   1   
         2   1   .   .   .   .   .   .   .    7.70   parsed_6ed9   1   
         3   1   .   .   .   .   .   .   .    6.40   parsed_6ed9   1   
         4   1   .   .   .   .   .   .   .    5.60   parsed_6ed9   1   
         5   1   .   .   .   .   .   .   .    9.40   parsed_6ed9   1   
         6   1   .   .   .   .   .   .   .    8.10   parsed_6ed9   1   
         7   1   .   .   .   .   .   .   .   10.70   parsed_6ed9   1   
         8   1   .   .   .   .   .   .   .    6.40   parsed_6ed9   1   
         9   1   .   .   .   .   .   .   .   10.20   parsed_6ed9   1   
        10   1   .   .   .   .   .   .   .    6.80   parsed_6ed9   1   
        11   1   .   .   .   .   .   .   .    8.10   parsed_6ed9   1   
        12   1   .   .   .   .   .   .   .    7.60   parsed_6ed9   1   
        13   1   .   .   .   .   .   .   .    8.10   parsed_6ed9   1   
        14   1   .   .   .   .   .   .   .    7.20   parsed_6ed9   1   
        15   1   .   .   .   .   .   .   .    8.10   parsed_6ed9   1   
        16   1   .   .   .   .   .   .   .    9.80   parsed_6ed9   1   
        17   1   .   .   .   .   .   .   .    8.10   parsed_6ed9   1   
        18   1   .   .   .   .   .   .   .   11.10   parsed_6ed9   1   
        19   1   .   .   .   .   .   .   .    8.10   parsed_6ed9   1   
        20   1   .   .   .   .   .   .   .    8.50   parsed_6ed9   1   
        21   1   .   .   .   .   .   .   .    5.90   parsed_6ed9   1   
        22   1   .   .   .   .   .   .   .    8.10   parsed_6ed9   1   
        23   1   .   .   .   .   .   .   .    9.00   parsed_6ed9   1   
        24   1   .   .   .   .   .   .   .    9.80   parsed_6ed9   1   
        25   1   .   .   .   .   .   .   .   10.70   parsed_6ed9   1   
        26   1   .   .   .   .   .   .   .   10.20   parsed_6ed9   1   
        27   1   .   .   .   .   .   .   .    6.40   parsed_6ed9   1   
        28   1   .   .   .   .   .   .   .    8.50   parsed_6ed9   1   
        29   1   .   .   .   .   .   .   .    8.50   parsed_6ed9   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   "Restraints file 5: D_1000235468_mr_P3.cyana.V1"                                                     1                                 1   1   48   parsed_6ed9   1   
                                      2   "1 DT	H1'	1 DT	H2"                                                                                   3                                 1   3   44   parsed_6ed9   1   
         1.00"                                                                           44    3                                 4   1    4   parsed_6ed9   1   
        "2 DG	H1'	2 DG	H2'	11.10	1.00"                                                                                 44    4                                 6   1    6   parsed_6ed9   1   
        "3 DG	H1'	3 DG	H2'	11.10	1.00"                                                                                 44    5                                 8   1    8   parsed_6ed9   1   
        "4 DG	H1'	4 DG	H2'		1.00"                                                                                      44    6                                12   1   12   parsed_6ed9   1   
        "6 DG	H1'	6 DG	H2'	11.10	1.00"                                                                                 44    7                                13   1   13   parsed_6ed9   1   
        "6 DG	H1'	6 DG	H2"                                                                                              1    6.40    1.00"                         8   28   parsed_6ed9   1   
                                     28                                                    .   44      "14 DG	H1'	14 DG	H2'		1.00"                                .     .   parsed_6ed9   1   
    stop_

save_





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