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
587897 2mpe 19042 cing 2-parsed STAR dipolar coupling 48


data_2mpe_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mpe 
    _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_2mpe   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mpe 
    _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   2mpe   "Master copy"    parsed_2mpe   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mpe 
    _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   2mpe.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2mpe   1   
        1   2mpe.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               1783   parsed_2mpe   1   
        1   2mpe.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     144   parsed_2mpe   1   
        1   2mpe.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple               54   parsed_2mpe   1   
        1   2mpe.mr   .   .    unknown       5    unknown                  "Not applicable"    "Not applicable"       0   parsed_2mpe   1   
        1   2mpe.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"      48   parsed_2mpe   1   
        1   2mpe.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2mpe   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_6
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2mpe 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            6 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.41389   .   .   .   .   .     9   .   HN   .     9   .   N   parsed_2mpe   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.61675   .   .   .   .   .    10   .   HN   .    10   .   N   parsed_2mpe   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.20446   .   .   .   .   .    14   .   HN   .    14   .   N   parsed_2mpe   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.36621   .   .   .   .   .    15   .   HN   .    15   .   N   parsed_2mpe   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.69418   .   .   .   .   .    16   .   HN   .    16   .   N   parsed_2mpe   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.26532   .   .   .   .   .    18   .   HN   .    18   .   N   parsed_2mpe   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.53562   .   .   .   .   .    25   .   HN   .    25   .   N   parsed_2mpe   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.74507   .   .   .   .   .    28   .   HN   .    28   .   N   parsed_2mpe   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.40045   .   .   .   .   .    29   .   HN   .    29   .   N   parsed_2mpe   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.17396   .   .   .   .   .    37   .   HN   .    37   .   N   parsed_2mpe   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.363     .   .   .   .   .    38   .   HN   .    38   .   N   parsed_2mpe   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.9235    .   .   .   .   .    48   .   HN   .    48   .   N   parsed_2mpe   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.829     .   .   .   .   .    50   .   HN   .    50   .   N   parsed_2mpe   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.214     .   .   .   .   .    53   .   HN   .    53   .   N   parsed_2mpe   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.31548   .   .   .   .   .    68   .   HN   .    68   .   N   parsed_2mpe   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.1939    .   .   .   .   .    69   .   HN   .    69   .   N   parsed_2mpe   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.05205   .   .   .   .   .    70   .   HN   .    70   .   N   parsed_2mpe   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.761     .   .   .   .   .    71   .   HN   .    71   .   N   parsed_2mpe   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.1805    .   .   .   .   .    75   .   HN   .    75   .   N   parsed_2mpe   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.41391   .   .   .   .   .    76   .   HN   .    76   .   N   parsed_2mpe   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.23449   .   .   .   .   .    77   .   HN   .    77   .   N   parsed_2mpe   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.71805   .   .   .   .   .    79   .   HN   .    79   .   N   parsed_2mpe   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.424     .   .   .   .   .    81   .   HN   .    81   .   N   parsed_2mpe   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.41397   .   .   .   .   .    85   .   HN   .    85   .   N   parsed_2mpe   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.19763   .   .   .   .   .    86   .   HN   .    86   .   N   parsed_2mpe   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.78548   .   .   .   .   .    87   .   HN   .    87   .   N   parsed_2mpe   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.90705   .   .   .   .   .    88   .   HN   .    88   .   N   parsed_2mpe   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -25.37321   .   .   .   .   .    90   .   HN   .    90   .   N   parsed_2mpe   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.0153    .   .   .   .   .    92   .   HN   .    92   .   N   parsed_2mpe   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.70422   .   .   .   .   .    94   .   HN   .    94   .   N   parsed_2mpe   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.14661   .   .   .   .   .    96   .   HN   .    96   .   N   parsed_2mpe   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.265     .   .   .   .   .    98   .   HN   .    98   .   N   parsed_2mpe   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.71431   .   .   .   .   .    99   .   HN   .    99   .   N   parsed_2mpe   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.02891   .   .   .   .   .   102   .   HN   .   102   .   N   parsed_2mpe   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.65034   .   .   .   .   .   105   .   HN   .   105   .   N   parsed_2mpe   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.16011   .   .   .   .   .   106   .   HN   .   106   .   N   parsed_2mpe   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.59296   .   .   .   .   .   107   .   HN   .   107   .   N   parsed_2mpe   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.596     .   .   .   .   .   109   .   HN   .   109   .   N   parsed_2mpe   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.843     .   .   .   .   .   110   .   HN   .   110   .   N   parsed_2mpe   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.792     .   .   .   .   .   116   .   HN   .   116   .   N   parsed_2mpe   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.74141   .   .   .   .   .   120   .   HN   .   120   .   N   parsed_2mpe   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.41011   .   .   .   .   .   121   .   HN   .   121   .   N   parsed_2mpe   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.48463   .   .   .   .   .   122   .   HN   .   122   .   N   parsed_2mpe   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.41011   .   .   .   .   .   123   .   HN   .   123   .   N   parsed_2mpe   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.65342   .   .   .   .   .   124   .   HN   .   124   .   N   parsed_2mpe   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.32222   .   .   .   .   .   125   .   HN   .   125   .   N   parsed_2mpe   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.07238   .   .   .   .   .   126   .   HN   .   126   .   N   parsed_2mpe   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.44061   .   .   .   .   .   127   .   HN   .   127   .   N   parsed_2mpe   1   
    stop_

save_





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