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
532810 2kbm 16050 cing 2-parsed STAR dipolar coupling 57


data_2kbm_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kbm 
    _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_2kbm   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kbm 
    _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   2kbm   "Master copy"    parsed_2kbm   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kbm 
    _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   2kbm.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2kbm   1   
        1   2kbm.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               3179   parsed_2kbm   1   
        1   2kbm.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     276   parsed_2kbm   1   
        1   2kbm.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      57   parsed_2kbm   1   
        1   2kbm.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2kbm   1   
        1   2kbm.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2kbm   1   
        1   2kbm.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2kbm   1   
        1   2kbm.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2kbm   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2kbm 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.65   .   .   .   .   sam1    3   .   n   sam1    3   .   hn   parsed_2kbm   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.33   .   .   .   .   sam1    7   .   n   sam1    7   .   hn   parsed_2kbm   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.52   .   .   .   .   sam1    8   .   n   sam1    8   .   hn   parsed_2kbm   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.41   .   .   .   .   sam1    9   .   n   sam1    9   .   hn   parsed_2kbm   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.9    .   .   .   .   sam1   11   .   n   sam1   11   .   hn   parsed_2kbm   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.89   .   .   .   .   sam1   13   .   n   sam1   13   .   hn   parsed_2kbm   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.52   .   .   .   .   sam1   14   .   n   sam1   14   .   hn   parsed_2kbm   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.53   .   .   .   .   sam1   16   .   n   sam1   16   .   hn   parsed_2kbm   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.03   .   .   .   .   sam1   17   .   n   sam1   17   .   hn   parsed_2kbm   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.46   .   .   .   .   sam1   18   .   n   sam1   18   .   hn   parsed_2kbm   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.14   .   .   .   .   sam1   19   .   n   sam1   19   .   hn   parsed_2kbm   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.41   .   .   .   .   sam1   20   .   n   sam1   20   .   hn   parsed_2kbm   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.49   .   .   .   .   sam1   21   .   n   sam1   21   .   hn   parsed_2kbm   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.73   .   .   .   .   sam1   22   .   n   sam1   22   .   hn   parsed_2kbm   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.54   .   .   .   .   sam1   24   .   n   sam1   24   .   hn   parsed_2kbm   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.2    .   .   .   .   sam1   25   .   n   sam1   25   .   hn   parsed_2kbm   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.41   .   .   .   .   sam1   26   .   n   sam1   26   .   hn   parsed_2kbm   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.68   .   .   .   .   sam1   27   .   n   sam1   27   .   hn   parsed_2kbm   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.98   .   .   .   .   sam1   28   .   n   sam1   28   .   hn   parsed_2kbm   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    30.63   .   .   .   .   sam1   29   .   n   sam1   29   .   hn   parsed_2kbm   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.22   .   .   .   .   sam1   30   .   n   sam1   30   .   hn   parsed_2kbm   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.26   .   .   .   .   sam1   32   .   n   sam1   32   .   hn   parsed_2kbm   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.84   .   .   .   .   sam1   33   .   n   sam1   33   .   hn   parsed_2kbm   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.68   .   .   .   .   sam1   34   .   n   sam1   34   .   hn   parsed_2kbm   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.95   .   .   .   .   sam1   36   .   n   sam1   36   .   hn   parsed_2kbm   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.11   .   .   .   .   sam1   37   .   n   sam1   37   .   hn   parsed_2kbm   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.11   .   .   .   .   sam1   38   .   n   sam1   38   .   hn   parsed_2kbm   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.65   .   .   .   .   sam1   39   .   n   sam1   39   .   hn   parsed_2kbm   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.71   .   .   .   .   sam1   40   .   n   sam1   40   .   hn   parsed_2kbm   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.43   .   .   .   .   sam1   45   .   n   sam1   45   .   hn   parsed_2kbm   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.06   .   .   .   .   sam1   46   .   n   sam1   46   .   hn   parsed_2kbm   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.62   .   .   .   .   sam1   53   .   n   sam1   53   .   hn   parsed_2kbm   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.65   .   .   .   .   sam1   54   .   n   sam1   54   .   hn   parsed_2kbm   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.6    .   .   .   .   sam1   55   .   n   sam1   55   .   hn   parsed_2kbm   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.03   .   .   .   .   sam1   57   .   n   sam1   57   .   hn   parsed_2kbm   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15      .   .   .   .   sam1   58   .   n   sam1   58   .   hn   parsed_2kbm   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.62   .   .   .   .   sam1   59   .   n   sam1   59   .   hn   parsed_2kbm   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.49   .   .   .   .   sam1   60   .   n   sam1   60   .   hn   parsed_2kbm   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.52   .   .   .   .   sam1   61   .   n   sam1   61   .   hn   parsed_2kbm   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.95   .   .   .   .   sam1   63   .   n   sam1   63   .   hn   parsed_2kbm   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    34.87   .   .   .   .   sam1   64   .   n   sam1   64   .   hn   parsed_2kbm   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.41   .   .   .   .   sam1   65   .   n   sam1   65   .   hn   parsed_2kbm   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.6    .   .   .   .   sam1   66   .   n   sam1   66   .   hn   parsed_2kbm   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.62   .   .   .   .   sam1   67   .   n   sam1   67   .   hn   parsed_2kbm   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.43   .   .   .   .   sam1   68   .   n   sam1   68   .   hn   parsed_2kbm   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.54   .   .   .   .   sam1   69   .   n   sam1   69   .   hn   parsed_2kbm   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.95   .   .   .   .   sam1   70   .   n   sam1   70   .   hn   parsed_2kbm   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.87   .   .   .   .   sam1   71   .   n   sam1   71   .   hn   parsed_2kbm   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.05   .   .   .   .   sam1   73   .   n   sam1   73   .   hn   parsed_2kbm   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.87   .   .   .   .   sam1   74   .   n   sam1   74   .   hn   parsed_2kbm   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      .81   .   .   .   .   sam1   76   .   n   sam1   76   .   hn   parsed_2kbm   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -.81   .   .   .   .   sam1   77   .   n   sam1   77   .   hn   parsed_2kbm   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.87   .   .   .   .   sam1   78   .   n   sam1   78   .   hn   parsed_2kbm   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.92   .   .   .   .   sam1   79   .   n   sam1   79   .   hn   parsed_2kbm   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00   .   .   .   .   sam1   84   .   n   sam1   84   .   hn   parsed_2kbm   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.43   .   .   .   .   sam1   85   .   n   sam1   85   .   hn   parsed_2kbm   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.43   .   .   .   .   sam1   91   .   n   sam1   91   .   hn   parsed_2kbm   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   "dipolar coupling constraints"    1   2   1   31   parsed_2kbm   1   
    stop_

save_





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