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
533394 2km8 16425 cing 2-parsed STAR dipolar coupling 96


data_2km8_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2km8 
    _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_2km8   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2km8 
    _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   2km8   "Master copy"    parsed_2km8   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2km8 
    _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   2km8.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"       0   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             4662   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      3    distance                 "hydrogen bond"      simple              132   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      4   "dihedral angle"          "Not applicable"    "Not applicable"     203   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      5   "dipolar coupling"        "Not applicable"    "Not applicable"      96   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      6   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      7   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      8   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2km8   1   
        1   2km8.mr   .   .    XPLOR/CNS      9    distance                  NOE                 simple                0   parsed_2km8   1   
        1   2km8.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2km8   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2km8 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.33   .   .   .   .   .   160   .   HN   .   160   .   N   parsed_2km8   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.73   .   .   .   .   .   161   .   HN   .   161   .   N   parsed_2km8   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.63   .   .   .   .   .   163   .   HN   .   163   .   N   parsed_2km8   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.04   .   .   .   .   .   164   .   HN   .   164   .   N   parsed_2km8   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.25   .   .   .   .   .   172   .   HN   .   172   .   N   parsed_2km8   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.25   .   .   .   .   .   173   .   HN   .   173   .   N   parsed_2km8   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.12   .   .   .   .   .   174   .   HN   .   174   .   N   parsed_2km8   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.23   .   .   .   .   .   175   .   HN   .   175   .   N   parsed_2km8   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.34   .   .   .   .   .   176   .   HN   .   176   .   N   parsed_2km8   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.72   .   .   .   .   .   177   .   HN   .   177   .   N   parsed_2km8   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.48   .   .   .   .   .   178   .   HN   .   178   .   N   parsed_2km8   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.32   .   .   .   .   .   179   .   HN   .   179   .   N   parsed_2km8   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.48   .   .   .   .   .   180   .   HN   .   180   .   N   parsed_2km8   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.96   .   .   .   .   .   181   .   HN   .   181   .   N   parsed_2km8   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.74   .   .   .   .   .   182   .   HN   .   182   .   N   parsed_2km8   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.34   .   .   .   .   .   186   .   HN   .   186   .   N   parsed_2km8   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.62   .   .   .   .   .   187   .   HN   .   187   .   N   parsed_2km8   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0      .   .   .   .   .   188   .   HN   .   188   .   N   parsed_2km8   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.42   .   .   .   .   .   189   .   HN   .   189   .   N   parsed_2km8   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.27   .   .   .   .   .   190   .   HN   .   190   .   N   parsed_2km8   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.99   .   .   .   .   .   192   .   HN   .   192   .   N   parsed_2km8   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.4    .   .   .   .   .   201   .   HN   .   201   .   N   parsed_2km8   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.63   .   .   .   .   .   202   .   HN   .   202   .   N   parsed_2km8   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3      .   .   .   .   .   204   .   HN   .   204   .   N   parsed_2km8   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.42   .   .   .   .   .   205   .   HN   .   205   .   N   parsed_2km8   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.09   .   .   .   .   .   206   .   HN   .   206   .   N   parsed_2km8   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.88   .   .   .   .   .   207   .   HN   .   207   .   N   parsed_2km8   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.65   .   .   .   .   .   208   .   HN   .   208   .   N   parsed_2km8   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.56   .   .   .   .   .   209   .   HN   .   209   .   N   parsed_2km8   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.55   .   .   .   .   .   212   .   HN   .   212   .   N   parsed_2km8   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.69   .   .   .   .   .   213   .   HN   .   213   .   N   parsed_2km8   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9      .   .   .   .   .   214   .   HN   .   214   .   N   parsed_2km8   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.63   .   .   .   .   .   215   .   HN   .   215   .   N   parsed_2km8   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.16   .   .   .   .   .   216   .   HN   .   216   .   N   parsed_2km8   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.36   .   .   .   .   .   217   .   HN   .   217   .   N   parsed_2km8   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.02   .   .   .   .   .   218   .   HN   .   218   .   N   parsed_2km8   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.1    .   .   .   .   .   219   .   HN   .   219   .   N   parsed_2km8   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.21   .   .   .   .   .   220   .   HN   .   220   .   N   parsed_2km8   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.02   .   .   .   .   .   221   .   HN   .   221   .   N   parsed_2km8   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.94   .   .   .   .   .   222   .   HN   .   222   .   N   parsed_2km8   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.02   .   .   .   .   .   228   .   HN   .   228   .   N   parsed_2km8   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.8    .   .   .   .   .   231   .   HN   .   231   .   N   parsed_2km8   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.02   .   .   .   .   .   232   .   HN   .   232   .   N   parsed_2km8   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.06   .   .   .   .   .   242   .   HN   .   242   .   N   parsed_2km8   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.91   .   .   .   .   .   243   .   HN   .   243   .   N   parsed_2km8   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.58   .   .   .   .   .   244   .   HN   .   244   .   N   parsed_2km8   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.01   .   .   .   .   .   246   .   HN   .   246   .   N   parsed_2km8   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.05   .   .   .   .   .   247   .   HN   .   247   .   N   parsed_2km8   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.71   .   .   .   .   .   248   .   HN   .   248   .   N   parsed_2km8   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.23   .   .   .   .   .   249   .   HN   .   249   .   N   parsed_2km8   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.61   .   .   .   .   .   254   .   HN   .   254   .   N   parsed_2km8   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.73   .   .   .   .   .   255   .   HN   .   255   .   N   parsed_2km8   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.87   .   .   .   .   .   257   .   HN   .   257   .   N   parsed_2km8   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.77   .   .   .   .   .   258   .   HN   .   258   .   N   parsed_2km8   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.89   .   .   .   .   .   259   .   HN   .   259   .   N   parsed_2km8   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.02   .   .   .   .   .   260   .   HN   .   260   .   N   parsed_2km8   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.65   .   .   .   .   .   261   .   HN   .   261   .   N   parsed_2km8   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.34   .   .   .   .   .   262   .   HN   .   262   .   N   parsed_2km8   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.81   .   .   .   .   .   263   .   HN   .   263   .   N   parsed_2km8   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.48   .   .   .   .   .   264   .   HN   .   264   .   N   parsed_2km8   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.71   .   .   .   .   .   265   .   HN   .   265   .   N   parsed_2km8   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.28   .   .   .   .   .   266   .   HN   .   266   .   N   parsed_2km8   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.8    .   .   .   .   .   267   .   HN   .   267   .   N   parsed_2km8   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.56   .   .   .   .   .   268   .   HN   .   268   .   N   parsed_2km8   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.09   .   .   .   .   .   269   .   HN   .   269   .   N   parsed_2km8   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.18   .   .   .   .   .   270   .   HN   .   270   .   N   parsed_2km8   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.13   .   .   .   .   .   271   .   HN   .   271   .   N   parsed_2km8   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.45   .   .   .   .   .   272   .   HN   .   272   .   N   parsed_2km8   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2      .   .   .   .   .   273   .   HN   .   273   .   N   parsed_2km8   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.1    .   .   .   .   .   274   .   HN   .   274   .   N   parsed_2km8   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.88   .   .   .   .   .   275   .   HN   .   275   .   N   parsed_2km8   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.08   .   .   .   .   .   283   .   HN   .   283   .   N   parsed_2km8   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.27   .   .   .   .   .   286   .   HN   .   286   .   N   parsed_2km8   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.06   .   .   .   .   .   288   .   HN   .   288   .   N   parsed_2km8   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4      .   .   .   .   .   289   .   HN   .   289   .   N   parsed_2km8   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.9    .   .   .   .   .   290   .   HN   .   290   .   N   parsed_2km8   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.49   .   .   .   .   .   291   .   HN   .   291   .   N   parsed_2km8   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.9    .   .   .   .   .   292   .   HN   .   292   .   N   parsed_2km8   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.16   .   .   .   .   .   293   .   HN   .   293   .   N   parsed_2km8   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.02   .   .   .   .   .   294   .   HN   .   294   .   N   parsed_2km8   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.39   .   .   .   .   .   295   .   HN   .   295   .   N   parsed_2km8   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0      .   .   .   .   .   296   .   HN   .   296   .   N   parsed_2km8   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.55   .   .   .   .   .   297   .   HN   .   297   .   N   parsed_2km8   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.05   .   .   .   .   .   298   .   HN   .   298   .   N   parsed_2km8   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.95   .   .   .   .   .   299   .   HN   .   299   .   N   parsed_2km8   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.85   .   .   .   .   .   300   .   HN   .   300   .   N   parsed_2km8   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.73   .   .   .   .   .   301   .   HN   .   301   .   N   parsed_2km8   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.86   .   .   .   .   .   302   .   HN   .   302   .   N   parsed_2km8   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.95   .   .   .   .   .   303   .   HN   .   303   .   N   parsed_2km8   1   
        90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.64   .   .   .   .   .   304   .   HN   .   304   .   N   parsed_2km8   1   
        91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.51   .   .   .   .   .   305   .   HN   .   305   .   N   parsed_2km8   1   
        92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.22   .   .   .   .   .   312   .   HN   .   312   .   N   parsed_2km8   1   
        93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.21   .   .   .   .   .   313   .   HN   .   313   .   N   parsed_2km8   1   
        94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.16   .   .   .   .   .   315   .   HN   .   315   .   N   parsed_2km8   1   
        95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.13   .   .   .   .   .   316   .   HN   .   316   .   N   parsed_2km8   1   
        96   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.08   .   .   .   .   .   317   .   HN   .   317   .   N   parsed_2km8   1   
    stop_

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