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 item_count
571604 2m87 19231 cing 2-parsed STAR dipolar coupling 67


data_2m87_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m87 
    _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_2m87   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m87 
    _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   2m87   "Master copy"    parsed_2m87   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m87 
    _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   2m87.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2m87   1   
        1   2m87.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             989   parsed_2m87   1   
        1   2m87.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              82   parsed_2m87   1   
        1   2m87.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    130   parsed_2m87   1   
        1   2m87.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"     67   parsed_2m87   1   
        1   2m87.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2m87   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2m87 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint.ID 
        _RDC_constraint.Assembly_atom_ID_1 
        _RDC_constraint.Entity_assembly_ID_1 
        _RDC_constraint.Entity_ID_1 
        _RDC_constraint.Comp_index_ID_1 
        _RDC_constraint.Seq_ID_1 
        _RDC_constraint.Comp_ID_1 
        _RDC_constraint.Atom_ID_1 
        _RDC_constraint.Resonance_ID_1 
        _RDC_constraint.Assembly_atom_ID_2 
        _RDC_constraint.Entity_assembly_ID_2 
        _RDC_constraint.Entity_ID_2 
        _RDC_constraint.Comp_index_ID_2 
        _RDC_constraint.Seq_ID_2 
        _RDC_constraint.Comp_ID_2 
        _RDC_constraint.Atom_ID_2 
        _RDC_constraint.Resonance_ID_2 
        _RDC_constraint.RDC_val 
        _RDC_constraint.RDC_lower_bound 
        _RDC_constraint.RDC_upper_bound 
        _RDC_constraint.RDC_val_err 
        _RDC_constraint.Source_experiment_ID 
        _RDC_constraint.Auth_asym_ID_1 
        _RDC_constraint.Auth_seq_ID_1 
        _RDC_constraint.Auth_comp_ID_1 
        _RDC_constraint.Auth_atom_ID_1 
        _RDC_constraint.Auth_asym_ID_2 
        _RDC_constraint.Auth_seq_ID_2 
        _RDC_constraint.Auth_comp_ID_2 
        _RDC_constraint.Auth_atom_ID_2 
        _RDC_constraint.Entry_ID 
        _RDC_constraint.RDC_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.591    .   .   .   .   .    2   .   HN   .    2   .   N   parsed_2m87   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.6733   .   .   .   .   .    3   .   HN   .    3   .   N   parsed_2m87   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.3794   .   .   .   .   .    5   .   HN   .    5   .   N   parsed_2m87   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2691   .   .   .   .   .    6   .   HN   .    6   .   N   parsed_2m87   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.6687   .   .   .   .   .    7   .   HN   .    7   .   N   parsed_2m87   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.4063   .   .   .   .   .    8   .   HN   .    8   .   N   parsed_2m87   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.3579   .   .   .   .   .    9   .   HN   .    9   .   N   parsed_2m87   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.5116   .   .   .   .   .   10   .   HN   .   10   .   N   parsed_2m87   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.7322   .   .   .   .   .   11   .   HN   .   11   .   N   parsed_2m87   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.7295   .   .   .   .   .   12   .   HN   .   12   .   N   parsed_2m87   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.2938   .   .   .   .   .   13   .   HN   .   13   .   N   parsed_2m87   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.1875   .   .   .   .   .   14   .   HN   .   14   .   N   parsed_2m87   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.447    .   .   .   .   .   15   .   HN   .   15   .   N   parsed_2m87   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.7909   .   .   .   .   .   16   .   HN   .   16   .   N   parsed_2m87   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.1832   .   .   .   .   .   17   .   HN   .   17   .   N   parsed_2m87   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.8128   .   .   .   .   .   19   .   HN   .   19   .   N   parsed_2m87   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6451   .   .   .   .   .   20   .   HN   .   20   .   N   parsed_2m87   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.3088   .   .   .   .   .   22   .   HN   .   22   .   N   parsed_2m87   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4595   .   .   .   .   .   24   .   HN   .   24   .   N   parsed_2m87   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.2275   .   .   .   .   .   25   .   HN   .   25   .   N   parsed_2m87   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.9066   .   .   .   .   .   27   .   HN   .   27   .   N   parsed_2m87   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.4762   .   .   .   .   .   28   .   HN   .   28   .   N   parsed_2m87   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.3494   .   .   .   .   .   29   .   HN   .   29   .   N   parsed_2m87   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.6993   .   .   .   .   .   30   .   HN   .   30   .   N   parsed_2m87   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.2408   .   .   .   .   .   31   .   HN   .   31   .   N   parsed_2m87   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.4469   .   .   .   .   .   33   .   HN   .   33   .   N   parsed_2m87   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.0468   .   .   .   .   .   36   .   HN   .   36   .   N   parsed_2m87   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.1671   .   .   .   .   .   37   .   HN   .   37   .   N   parsed_2m87   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.068    .   .   .   .   .   38   .   HN   .   38   .   N   parsed_2m87   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.3816   .   .   .   .   .   39   .   HN   .   39   .   N   parsed_2m87   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.7774   .   .   .   .   .   40   .   HN   .   40   .   N   parsed_2m87   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.5334   .   .   .   .   .   41   .   HN   .   41   .   N   parsed_2m87   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.0946   .   .   .   .   .   42   .   HN   .   42   .   N   parsed_2m87   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.7321   .   .   .   .   .   43   .   HN   .   43   .   N   parsed_2m87   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.3354   .   .   .   .   .   44   .   HN   .   44   .   N   parsed_2m87   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.8057   .   .   .   .   .   45   .   HN   .   45   .   N   parsed_2m87   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2709   .   .   .   .   .   46   .   HN   .   46   .   N   parsed_2m87   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.071    .   .   .   .   .   47   .   HN   .   47   .   N   parsed_2m87   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.6602   .   .   .   .   .   49   .   HN   .   49   .   N   parsed_2m87   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.1513   .   .   .   .   .   50   .   HN   .   50   .   N   parsed_2m87   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.4009   .   .   .   .   .   52   .   HN   .   52   .   N   parsed_2m87   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.5699   .   .   .   .   .   53   .   HN   .   53   .   N   parsed_2m87   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.2068   .   .   .   .   .   54   .   HN   .   54   .   N   parsed_2m87   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.5405   .   .   .   .   .   55   .   HN   .   55   .   N   parsed_2m87   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.4488   .   .   .   .   .   56   .   HN   .   56   .   N   parsed_2m87   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.962    .   .   .   .   .   57   .   HN   .   57   .   N   parsed_2m87   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.4622   .   .   .   .   .   58   .   HN   .   58   .   N   parsed_2m87   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0734   .   .   .   .   .   71   .   HN   .   71   .   N   parsed_2m87   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.7763   .   .   .   .   .   72   .   HN   .   72   .   N   parsed_2m87   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.2839   .   .   .   .   .   73   .   HN   .   73   .   N   parsed_2m87   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.1374   .   .   .   .   .   74   .   HN   .   74   .   N   parsed_2m87   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.887    .   .   .   .   .   75   .   HN   .   75   .   N   parsed_2m87   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.3035   .   .   .   .   .   76   .   HN   .   76   .   N   parsed_2m87   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.3445   .   .   .   .   .   77   .   HN   .   77   .   N   parsed_2m87   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4601   .   .   .   .   .   78   .   HN   .   78   .   N   parsed_2m87   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.5936   .   .   .   .   .   79   .   HN   .   79   .   N   parsed_2m87   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.709    .   .   .   .   .   80   .   HN   .   80   .   N   parsed_2m87   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.0663   .   .   .   .   .   81   .   HN   .   81   .   N   parsed_2m87   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.4779   .   .   .   .   .   82   .   HN   .   82   .   N   parsed_2m87   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.5357   .   .   .   .   .   84   .   HN   .   84   .   N   parsed_2m87   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.5282   .   .   .   .   .   85   .   HN   .   85   .   N   parsed_2m87   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.9019   .   .   .   .   .   86   .   HN   .   86   .   N   parsed_2m87   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.3071   .   .   .   .   .   87   .   HN   .   87   .   N   parsed_2m87   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.5513   .   .   .   .   .   88   .   HN   .   88   .   N   parsed_2m87   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.6447   .   .   .   .   .   89   .   HN   .   89   .   N   parsed_2m87   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.5822   .   .   .   .   .   92   .   HN   .   92   .   N   parsed_2m87   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.6137   .   .   .   .   .   93   .   HN   .   93   .   N   parsed_2m87   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1   "message=on echo=on"    1   1   1   26   parsed_2m87   1   
    stop_

save_





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