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
626199 5oun 34173 cing 2-parsed STAR dipolar coupling 59


data_5oun_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5oun 
    _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_5oun   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5oun 
    _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   5oun   "Master copy"    parsed_5oun   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5oun 
    _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   5oun.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_5oun   1   
        1   5oun.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2065   parsed_5oun   1   
        1   5oun.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               12   parsed_5oun   1   
        1   5oun.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      59   parsed_5oun   1   
        1   5oun.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_5oun   1   
        1   5oun.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_5oun   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_5oun 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.338   .   .   .   .   .   134   .   N   .   134   .   HN   parsed_5oun   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.205   .   .   .   .   .   136   .   N   .   136   .   HN   parsed_5oun   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.927   .   .   .   .   .   137   .   N   .   137   .   HN   parsed_5oun   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.272   .   .   .   .   .   138   .   N   .   138   .   HN   parsed_5oun   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.211   .   .   .   .   .   139   .   N   .   139   .   HN   parsed_5oun   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.642   .   .   .   .   .   140   .   N   .   140   .   HN   parsed_5oun   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.663   .   .   .   .   .   141   .   N   .   141   .   HN   parsed_5oun   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.123   .   .   .   .   .   142   .   N   .   142   .   HN   parsed_5oun   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.846   .   .   .   .   .   143   .   N   .   143   .   HN   parsed_5oun   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.177   .   .   .   .   .   144   .   N   .   144   .   HN   parsed_5oun   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.150   .   .   .   .   .   145   .   N   .   145   .   HN   parsed_5oun   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.116   .   .   .   .   .   146   .   N   .   146   .   HN   parsed_5oun   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.764   .   .   .   .   .   147   .   N   .   147   .   HN   parsed_5oun   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.325   .   .   .   .   .   148   .   N   .   148   .   HN   parsed_5oun   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.487   .   .   .   .   .   149   .   N   .   149   .   HN   parsed_5oun   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.547   .   .   .   .   .   150   .   N   .   150   .   HN   parsed_5oun   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.642   .   .   .   .   .   151   .   N   .   151   .   HN   parsed_5oun   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.973   .   .   .   .   .   152   .   N   .   152   .   HN   parsed_5oun   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.967   .   .   .   .   .   155   .   N   .   155   .   HN   parsed_5oun   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.116   .   .   .   .   .   156   .   N   .   156   .   HN   parsed_5oun   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.629   .   .   .   .   .   157   .   N   .   157   .   HN   parsed_5oun   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.460   .   .   .   .   .   159   .   N   .   159   .   HN   parsed_5oun   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.615   .   .   .   .   .   160   .   N   .   160   .   HN   parsed_5oun   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.960   .   .   .   .   .   161   .   N   .   161   .   HN   parsed_5oun   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.885   .   .   .   .   .   162   .   N   .   162   .   HN   parsed_5oun   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.730   .   .   .   .   .   163   .   N   .   163   .   HN   parsed_5oun   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.994   .   .   .   .   .   164   .   N   .   164   .   HN   parsed_5oun   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.697   .   .   .   .   .   166   .   N   .   166   .   HN   parsed_5oun   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.946   .   .   .   .   .   167   .   N   .   167   .   HN   parsed_5oun   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.048   .   .   .   .   .   168   .   N   .   168   .   HN   parsed_5oun   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.386   .   .   .   .   .   169   .   N   .   169   .   HN   parsed_5oun   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.379   .   .   .   .   .   170   .   N   .   170   .   HN   parsed_5oun   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.244   .   .   .   .   .   172   .   N   .   172   .   HN   parsed_5oun   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.724   .   .   .   .   .   173   .   N   .   173   .   HN   parsed_5oun   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.136   .   .   .   .   .   174   .   N   .   174   .   HN   parsed_5oun   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.075   .   .   .   .   .   178   .   N   .   178   .   HN   parsed_5oun   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.663   .   .   .   .   .   179   .   N   .   179   .   HN   parsed_5oun   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.237   .   .   .   .   .   180   .   N   .   180   .   HN   parsed_5oun   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.933   .   .   .   .   .   181   .   N   .   181   .   HN   parsed_5oun   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.858   .   .   .   .   .   182   .   N   .   182   .   HN   parsed_5oun   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.676   .   .   .   .   .   184   .   N   .   184   .   HN   parsed_5oun   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.217   .   .   .   .   .   185   .   N   .   185   .   HN   parsed_5oun   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.508   .   .   .   .   .   186   .   N   .   186   .   HN   parsed_5oun   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.980   .   .   .   .   .   187   .   N   .   187   .   HN   parsed_5oun   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.359   .   .   .   .   .   188   .   N   .   188   .   HN   parsed_5oun   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.426   .   .   .   .   .   189   .   N   .   189   .   HN   parsed_5oun   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.137   .   .   .   .   .   190   .   N   .   190   .   HN   parsed_5oun   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.299   .   .   .   .   .   191   .   N   .   191   .   HN   parsed_5oun   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.333   .   .   .   .   .   192   .   N   .   192   .   HN   parsed_5oun   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.826   .   .   .   .   .   193   .   N   .   193   .   HN   parsed_5oun   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.568   .   .   .   .   .   194   .   N   .   194   .   HN   parsed_5oun   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.744   .   .   .   .   .   195   .   N   .   195   .   HN   parsed_5oun   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.216   .   .   .   .   .   196   .   N   .   196   .   HN   parsed_5oun   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.495   .   .   .   .   .   197   .   N   .   197   .   HN   parsed_5oun   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.359   .   .   .   .   .   198   .   N   .   198   .   HN   parsed_5oun   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.596   .   .   .   .   .   199   .   N   .   199   .   HN   parsed_5oun   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.083   .   .   .   .   .   200   .   N   .   200   .   HN   parsed_5oun   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.061   .   .   .   .   .   202   .   N   .   202   .   HN   parsed_5oun   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.325   .   .   .   .   .   203   .   N   .   203   .   HN   parsed_5oun   1   
    stop_


    loop_
        _RDC_constraint_parse_err.ID 
        _RDC_constraint_parse_err.Content 
        _RDC_constraint_parse_err.Begin_line 
        _RDC_constraint_parse_err.Begin_column 
        _RDC_constraint_parse_err.End_line 
        _RDC_constraint_parse_err.End_column 
        _RDC_constraint_parse_err.Entry_ID 
        _RDC_constraint_parse_err.RDC_constraint_list_ID 

        1   "# Restraints file 3: rdc.tbl"    1   1   1   28   parsed_5oun   1   
    stop_

save_





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