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
598134 2na0 26688 cing 2-parsed STAR dipolar coupling 41


data_2na0_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2na0 
    _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_2na0   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2na0 
    _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   2na0   "Master copy"    parsed_2na0   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2na0 
    _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   2na0.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2na0   1   
        1   2na0.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             258   parsed_2na0   1   
        1   2na0.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"        simple               6   parsed_2na0   1   
        1   2na0.mr   .   .    XPLOR/CNS     4    distance                 "general distance"     simple               7   parsed_2na0   1   
        1   2na0.mr   .   .    XPLOR/CNS     5    distance                  NOE                   simple               8   parsed_2na0   1   
        1   2na0.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"      "Not applicable"    233   parsed_2na0   1   
        1   2na0.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"      "Not applicable"     41   parsed_2na0   1   
        1   2na0.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2na0   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2na0 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            7 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.72   .   .   .   .   .    36   .   N   .    36   .   HN   parsed_2na0   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.02   .   .   .   .   .    37   .   N   .    37   .   HN   parsed_2na0   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.21   .   .   .   .   .    38   .   N   .    38   .   HN   parsed_2na0   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.08   .   .   .   .   .    39   .   N   .    39   .   HN   parsed_2na0   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.86   .   .   .   .   .    40   .   N   .    40   .   HN   parsed_2na0   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.51   .   .   .   .   .    41   .   N   .    41   .   HN   parsed_2na0   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.40   .   .   .   .   .    52   .   N   .    52   .   HN   parsed_2na0   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.10   .   .   .   .   .    53   .   N   .    53   .   HN   parsed_2na0   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.06   .   .   .   .   .    54   .   N   .    54   .   HN   parsed_2na0   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.39   .   .   .   .   .    55   .   N   .    55   .   HN   parsed_2na0   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.38   .   .   .   .   .    56   .   N   .    56   .   HN   parsed_2na0   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.06   .   .   .   .   .   110   .   N   .   110   .   HN   parsed_2na0   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.39   .   .   .   .   .   111   .   N   .   111   .   HN   parsed_2na0   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.22   .   .   .   .   .   112   .   N   .   112   .   HN   parsed_2na0   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.77   .   .   .   .   .   113   .   N   .   113   .   HN   parsed_2na0   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.71   .   .   .   .   .   114   .   N   .   114   .   HN   parsed_2na0   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.01   .   .   .   .   .   115   .   N   .   115   .   HN   parsed_2na0   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.34   .   .   .   .   .   116   .   N   .   116   .   HN   parsed_2na0   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.8    .   .   .   .   .   117   .   N   .   117   .   HN   parsed_2na0   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.65   .   .   .   .   .   118   .   N   .   118   .   HN   parsed_2na0   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.21   .   .   .   .   .   132   .   N   .   132   .   HN   parsed_2na0   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.55   .   .   .   .   .   133   .   N   .   133   .   HN   parsed_2na0   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.61   .   .   .   .   .   135   .   N   .   135   .   HN   parsed_2na0   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.01   .   .   .   .   .   136   .   N   .   136   .   HN   parsed_2na0   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.19   .   .   .   .   .   137   .   N   .   137   .   HN   parsed_2na0   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.18   .   .   .   .   .   154   .   N   .   154   .   HN   parsed_2na0   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.03   .   .   .   .   .   155   .   N   .   155   .   HN   parsed_2na0   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.91   .   .   .   .   .   156   .   N   .   156   .   HN   parsed_2na0   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.94   .   .   .   .   .   157   .   N   .   157   .   HN   parsed_2na0   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.04   .   .   .   .   .   158   .   N   .   158   .   HN   parsed_2na0   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.64   .   .   .   .   .   159   .   N   .   159   .   HN   parsed_2na0   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.80   .   .   .   .   .   161   .   N   .   161   .   HN   parsed_2na0   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.13   .   .   .   .   .   164   .   N   .   164   .   HN   parsed_2na0   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.81   .   .   .   .   .   165   .   N   .   165   .   HN   parsed_2na0   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.99   .   .   .   .   .   166   .   N   .   166   .   HN   parsed_2na0   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.34   .   .   .   .   .   167   .   N   .   167   .   HN   parsed_2na0   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.45   .   .   .   .   .   168   .   N   .   168   .   HN   parsed_2na0   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.51   .   .   .   .   .   170   .   N   .   170   .   HN   parsed_2na0   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.63   .   .   .   .   .   172   .   N   .   172   .   HN   parsed_2na0   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.47   .   .   .   .   .   173   .   N   .   173   .   HN   parsed_2na0   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.60   .   .   .   .   .   174   .   N   .   174   .   HN   parsed_2na0   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   RDC   1   1   1   5   parsed_2na0   1   
    stop_

save_





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