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
51455 2k79 15912 cing 2-parsed STAR dipolar coupling 76


data_2k79_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2k79 
    _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_2k79   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2k79 
    _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   2k79   "Master copy"    parsed_2k79   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2k79 
    _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   2k79.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2k79   1   
        1   2k79.mr   .   .    XPLOR/CNS     2   "dipolar coupling"        "Not applicable"    "Not applicable"    76   parsed_2k79   1   
        1   2k79.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_2k79   1   
        1   2k79.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              0   parsed_2k79   1   
        1   2k79.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2k79   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_2
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2k79 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            2 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.57    .   .   .   .   .   176   .   N    .   176   .   HN   parsed_2k79   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.29    .   .   .   .   .   177   .   N    .   177   .   HN   parsed_2k79   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.30    .   .   .   .   .   199   .   N    .   199   .   HN   parsed_2k79   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.33    .   .   .   .   .   198   .   N    .   198   .   HN   parsed_2k79   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.30    .   .   .   .   .   213   .   N    .   213   .   HN   parsed_2k79   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.19    .   .   .   .   .   227   .   N    .   227   .   HN   parsed_2k79   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.58    .   .   .   .   .   220   .   N    .   220   .   HN   parsed_2k79   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.20    .   .   .   .   .   174   .   N    .   174   .   HN   parsed_2k79   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.09    .   .   .   .   .   212   .   N    .   212   .   HN   parsed_2k79   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.19    .   .   .   .   .   219   .   N    .   219   .   HN   parsed_2k79   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      .33    .   .   .   .   .   216   .   N    .   216   .   HN   parsed_2k79   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -.32    .   .   .   .   .   202   .   N    .   202   .   HN   parsed_2k79   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.17    .   .   .   .   .   197   .   N    .   197   .   HN   parsed_2k79   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.08    .   .   .   .   .   226   .   N    .   226   .   HN   parsed_2k79   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.44    .   .   .   .   .   218   .   N    .   218   .   HN   parsed_2k79   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.75    .   .   .   .   .   195   .   N    .   195   .   HN   parsed_2k79   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      .90    .   .   .   .   .   211   .   N    .   211   .   HN   parsed_2k79   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.43    .   .   .   .   .   196   .   N    .   196   .   HN   parsed_2k79   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.511   .   .   .   .   .   210   .   N    .   210   .   HN   parsed_2k79   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.98    .   .   .   .   .   217   .   N    .   217   .   HN   parsed_2k79   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.89    .   .   .   .   .   228   .   N    .   228   .   HN   parsed_2k79   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.31    .   .   .   .   .   200   .   N    .   200   .   HN   parsed_2k79   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.13    .   .   .   .   .   178   .   N    .   178   .   HN   parsed_2k79   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.10    .   .   .   .   .   201   .   N    .   201   .   HN   parsed_2k79   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.75    .   .   .   .   .   175   .   N    .   175   .   HN   parsed_2k79   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.88    .   .   .   .   .   247   .   N    .   247   .   HN   parsed_2k79   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.18    .   .   .   .   .   248   .   N    .   248   .   HN   parsed_2k79   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.26    .   .   .   .   .   249   .   N    .   249   .   HN   parsed_2k79   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.08    .   .   .   .   .   250   .   N    .   250   .   HN   parsed_2k79   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.48    .   .   .   .   .   251   .   N    .   251   .   HN   parsed_2k79   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.37    .   .   .   .   .   255   .   N    .   255   .   HN   parsed_2k79   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.34    .   .   .   .   .   256   .   N    .   256   .   HN   parsed_2k79   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.77    .   .   .   .   .   260   .   N    .   260   .   HN   parsed_2k79   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.65    .   .   .   .   .   261   .   N    .   261   .   HN   parsed_2k79   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.40    .   .   .   .   .   262   .   N    .   262   .   HN   parsed_2k79   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.16    .   .   .   .   .   263   .   N    .   263   .   HN   parsed_2k79   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.65    .   .   .   .   .   264   .   N    .   264   .   HN   parsed_2k79   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.89    .   .   .   .   .   265   .   N    .   265   .   HN   parsed_2k79   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.68    .   .   .   .   .   274   .   N    .   274   .   HN   parsed_2k79   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.21    .   .   .   .   .   275   .   N    .   275   .   HN   parsed_2k79   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.01    .   .   .   .   .   276   .   N    .   276   .   HN   parsed_2k79   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.61    .   .   .   .   .   278   .   N    .   278   .   HN   parsed_2k79   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.88    .   .   .   .   .   279   .   N    .   279   .   HN   parsed_2k79   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.71    .   .   .   .   .   288   .   N    .   288   .   HN   parsed_2k79   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.27    .   .   .   .   .   289   .   N    .   289   .   HN   parsed_2k79   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.16    .   .   .   .   .   290   .   N    .   290   .   HN   parsed_2k79   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.61    .   .   .   .   .   291   .   N    .   291   .   HN   parsed_2k79   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.18    .   .   .   .   .   292   .   N    .   292   .   HN   parsed_2k79   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.66    .   .   .   .   .   293   .   N    .   293   .   HN   parsed_2k79   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.70    .   .   .   .   .   315   .   N    .   315   .   HN   parsed_2k79   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.87    .   .   .   .   .   317   .   N    .   317   .   HN   parsed_2k79   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.87    .   .   .   .   .   318   .   N    .   318   .   HN   parsed_2k79   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.34    .   .   .   .   .   319   .   N    .   319   .   HN   parsed_2k79   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.54    .   .   .   .   .   320   .   N    .   320   .   HN   parsed_2k79   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.76    .   .   .   .   .   321   .   N    .   321   .   HN   parsed_2k79   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.92    .   .   .   .   .   322   .   N    .   322   .   HN   parsed_2k79   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.10    .   .   .   .   .   323   .   N    .   323   .   HN   parsed_2k79   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.70    .   .   .   .   .   324   .   N    .   324   .   HN   parsed_2k79   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.78    .   .   .   .   .   176   .   CA   .   176   .   HA   parsed_2k79   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.50    .   .   .   .   .   177   .   CA   .   177   .   HA   parsed_2k79   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.23    .   .   .   .   .   199   .   CA   .   199   .   HA   parsed_2k79   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.47    .   .   .   .   .   213   .   CA   .   213   .   HA   parsed_2k79   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.37    .   .   .   .   .   227   .   CA   .   227   .   HA   parsed_2k79   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.47    .   .   .   .   .   220   .   CA   .   220   .   HA   parsed_2k79   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.19    .   .   .   .   .   174   .   CA   .   174   .   HA   parsed_2k79   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.68    .   .   .   .   .   212   .   CA   .   212   .   HA   parsed_2k79   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.37    .   .   .   .   .   202   .   CA   .   202   .   HA   parsed_2k79   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.81    .   .   .   .   .   197   .   CA   .   197   .   HA   parsed_2k79   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.49    .   .   .   .   .   226   .   CA   .   226   .   HA   parsed_2k79   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.09    .   .   .   .   .   218   .   CA   .   218   .   HA   parsed_2k79   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.78    .   .   .   .   .   195   .   CA   .   195   .   HA   parsed_2k79   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.04    .   .   .   .   .   211   .   CA   .   211   .   HA   parsed_2k79   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.66    .   .   .   .   .   217   .   CA   .   217   .   HA   parsed_2k79   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.09    .   .   .   .   .   228   .   CA   .   228   .   HA   parsed_2k79   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.90    .   .   .   .   .   200   .   CA   .   200   .   HA   parsed_2k79   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.10    .   .   .   .   .   201   .   CA   .   201   .   HA   parsed_2k79   1   
    stop_

save_





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