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
52171 2ke1 16510 cing 2-parsed STAR dipolar coupling 52


data_2ke1_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ke1 
    _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_2ke1   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ke1 
    _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   2ke1   "Master copy"    parsed_2ke1   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ke1 
    _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   2ke1.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"       0   parsed_2ke1   1   
        1   2ke1.mr   .   .    XPLOR/CNS      2    distance                  NOE                   ambi               1012   parsed_2ke1   1   
        1   2ke1.mr   .   .    XPLOR/CNS      3    distance                 "general distance"     simple                9   parsed_2ke1   1   
        1   2ke1.mr   .   .    n/a            4    comment                  "Not applicable"      "Not applicable"       0   parsed_2ke1   1   
        1   2ke1.mr   .   .    XPLOR/CNS      5    distance                  NOE                   ambi                191   parsed_2ke1   1   
        1   2ke1.mr   .   .    n/a            6    comment                  "Not applicable"      "Not applicable"       0   parsed_2ke1   1   
        1   2ke1.mr   .   .    XPLOR/CNS      7   "dihedral angle"          "Not applicable"      "Not applicable"      86   parsed_2ke1   1   
        1   2ke1.mr   .   .    n/a            8    comment                  "Not applicable"      "Not applicable"       0   parsed_2ke1   1   
        1   2ke1.mr   .   .    XPLOR/CNS      9    distance                 "hydrogen bond"        simple               16   parsed_2ke1   1   
        1   2ke1.mr   .   .    n/a           10    comment                  "Not applicable"      "Not applicable"       0   parsed_2ke1   1   
        1   2ke1.mr   .   .    XPLOR/CNS     11   "dipolar coupling"        "Not applicable"      "Not applicable"      52   parsed_2ke1   1   
        1   2ke1.mr   .   .   "MR format"    12   "nomenclature mapping"    "Not applicable"      "Not applicable"       0   parsed_2ke1   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_11
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2ke1 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            11 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.093   .   .   .   .   .   32   .   N   .   32   .   HN   parsed_2ke1   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.197   .   .   .   .   .   33   .   N   .   33   .   HN   parsed_2ke1   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.661   .   .   .   .   .   21   .   N   .   21   .   HN   parsed_2ke1   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.412   .   .   .   .   .   63   .   N   .   63   .   HN   parsed_2ke1   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.053   .   .   .   .   .    7   .   N   .    7   .   HN   parsed_2ke1   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.393   .   .   .   .   .   26   .   N   .   26   .   HN   parsed_2ke1   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.481   .   .   .   .   .   30   .   N   .   30   .   HN   parsed_2ke1   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.180   .   .   .   .   .   16   .   N   .   16   .   HN   parsed_2ke1   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.758   .   .   .   .   .   44   .   N   .   44   .   HN   parsed_2ke1   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.666   .   .   .   .   .   55   .   N   .   55   .   HN   parsed_2ke1   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.846   .   .   .   .   .   28   .   N   .   28   .   HN   parsed_2ke1   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.222   .   .   .   .   .   57   .   N   .   57   .   HN   parsed_2ke1   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.972   .   .   .   .   .   40   .   N   .   40   .   HN   parsed_2ke1   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.859   .   .   .   .   .   61   .   N   .   61   .   HN   parsed_2ke1   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.888   .   .   .   .   .   20   .   N   .   20   .   HN   parsed_2ke1   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.484   .   .   .   .   .   14   .   N   .   14   .   HN   parsed_2ke1   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.099   .   .   .   .   .   59   .   N   .   59   .   HN   parsed_2ke1   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.629   .   .   .   .   .   49   .   N   .   49   .   HN   parsed_2ke1   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.662   .   .   .   .   .   24   .   N   .   24   .   HN   parsed_2ke1   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.769   .   .   .   .   .   10   .   N   .   10   .   HN   parsed_2ke1   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.538   .   .   .   .   .   31   .   N   .   31   .   HN   parsed_2ke1   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.241   .   .   .   .   .   35   .   N   .   35   .   HN   parsed_2ke1   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.172   .   .   .   .   .   11   .   N   .   11   .   HN   parsed_2ke1   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.113   .   .   .   .   .   53   .   N   .   53   .   HN   parsed_2ke1   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.839   .   .   .   .   .   48   .   N   .   48   .   HN   parsed_2ke1   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.234   .   .   .   .   .   22   .   N   .   22   .   HN   parsed_2ke1   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.046   .   .   .   .   .   42   .   N   .   42   .   HN   parsed_2ke1   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.894   .   .   .   .   .   46   .   N   .   46   .   HN   parsed_2ke1   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.819   .   .   .   .   .   13   .   N   .   13   .   HN   parsed_2ke1   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.131   .   .   .   .   .   23   .   N   .   23   .   HN   parsed_2ke1   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.882   .   .   .   .   .   65   .   N   .   65   .   HN   parsed_2ke1   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.486   .   .   .   .   .   29   .   N   .   29   .   HN   parsed_2ke1   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.805   .   .   .   .   .    6   .   N   .    6   .   HN   parsed_2ke1   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.029   .   .   .   .   .   50   .   N   .   50   .   HN   parsed_2ke1   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.078   .   .   .   .   .   39   .   N   .   39   .   HN   parsed_2ke1   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.815   .   .   .   .   .   64   .   N   .   64   .   HN   parsed_2ke1   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.192   .   .   .   .   .    3   .   N   .    3   .   HN   parsed_2ke1   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.940   .   .   .   .   .   36   .   N   .   36   .   HN   parsed_2ke1   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.727   .   .   .   .   .   41   .   N   .   41   .   HN   parsed_2ke1   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.277   .   .   .   .   .   12   .   N   .   12   .   HN   parsed_2ke1   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.009   .   .   .   .   .   47   .   N   .   47   .   HN   parsed_2ke1   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.799   .   .   .   .   .   15   .   N   .   15   .   HN   parsed_2ke1   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.742   .   .   .   .   .    8   .   N   .    8   .   HN   parsed_2ke1   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.684   .   .   .   .   .   52   .   N   .   52   .   HN   parsed_2ke1   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.691   .   .   .   .   .   60   .   N   .   60   .   HN   parsed_2ke1   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.767   .   .   .   .   .    4   .   N   .    4   .   HN   parsed_2ke1   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.156   .   .   .   .   .   34   .   N   .   34   .   HN   parsed_2ke1   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.431   .   .   .   .   .   56   .   N   .   56   .   HN   parsed_2ke1   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.271   .   .   .   .   .   45   .   N   .   45   .   HN   parsed_2ke1   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.327   .   .   .   .   .   66   .   N   .   66   .   HN   parsed_2ke1   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.778   .   .   .   .   .   19   .   N   .   19   .   HN   parsed_2ke1   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.569   .   .   .   .   .    5   .   N   .    5   .   HN   parsed_2ke1   1   
    stop_

save_





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