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
471213 2kz4 16997 cing 2-parsed STAR dipolar coupling 44


data_2kz4_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kz4 
    _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_2kz4   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kz4 
    _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   2kz4   "Master copy"    parsed_2kz4   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kz4 
    _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   2kz4.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2kz4   1   
        1   2kz4.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2525   parsed_2kz4   1   
        1   2kz4.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     104   parsed_2kz4   1   
        1   2kz4.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple               80   parsed_2kz4   1   
        1   2kz4.mr   .   .    XEASY         5    peak                     "Not applicable"    "Not applicable"       0   parsed_2kz4   1   
        1   2kz4.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"      44   parsed_2kz4   1   
        1   2kz4.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2kz4   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_6
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2kz4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.7000   .   .   .   .   .     8   .   N   .     8   .   HN   parsed_2kz4   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.1350   .   .   .   .   .    10   .   N   .    10   .   HN   parsed_2kz4   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.0850   .   .   .   .   .    11   .   N   .    11   .   HN   parsed_2kz4   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3300   .   .   .   .   .    12   .   N   .    12   .   HN   parsed_2kz4   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.2500   .   .   .   .   .    13   .   N   .    13   .   HN   parsed_2kz4   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.5300   .   .   .   .   .    14   .   N   .    14   .   HN   parsed_2kz4   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.0300   .   .   .   .   .    15   .   N   .    15   .   HN   parsed_2kz4   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.2800   .   .   .   .   .    16   .   N   .    16   .   HN   parsed_2kz4   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.1750   .   .   .   .   .    18   .   N   .    18   .   HN   parsed_2kz4   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.0650   .   .   .   .   .    20   .   N   .    20   .   HN   parsed_2kz4   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.7250   .   .   .   .   .    21   .   N   .    21   .   HN   parsed_2kz4   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.5400   .   .   .   .   .    22   .   N   .    22   .   HN   parsed_2kz4   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.0750   .   .   .   .   .    23   .   N   .    23   .   HN   parsed_2kz4   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.7800   .   .   .   .   .    24   .   N   .    24   .   HN   parsed_2kz4   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0550   .   .   .   .   .    26   .   N   .    26   .   HN   parsed_2kz4   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.0400   .   .   .   .   .    27   .   N   .    27   .   HN   parsed_2kz4   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.9450   .   .   .   .   .    28   .   N   .    28   .   HN   parsed_2kz4   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.2950   .   .   .   .   .    29   .   N   .    29   .   HN   parsed_2kz4   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.1150   .   .   .   .   .    30   .   N   .    30   .   HN   parsed_2kz4   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.6700   .   .   .   .   .    31   .   N   .    31   .   HN   parsed_2kz4   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.1450   .   .   .   .   .    32   .   N   .    32   .   HN   parsed_2kz4   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.8550   .   .   .   .   .    34   .   N   .    34   .   HN   parsed_2kz4   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.1050   .   .   .   .   .    35   .   N   .    35   .   HN   parsed_2kz4   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.4500   .   .   .   .   .    36   .   N   .    36   .   HN   parsed_2kz4   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.9950   .   .   .   .   .    37   .   N   .    37   .   HN   parsed_2kz4   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.2250   .   .   .   .   .    38   .   N   .    38   .   HN   parsed_2kz4   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.8850   .   .   .   .   .    39   .   N   .    39   .   HN   parsed_2kz4   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.1550   .   .   .   .   .    40   .   N   .    40   .   HN   parsed_2kz4   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.5250   .   .   .   .   .    60   .   N   .    60   .   HN   parsed_2kz4   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.0750   .   .   .   .   .    61   .   N   .    61   .   HN   parsed_2kz4   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.1100   .   .   .   .   .    63   .   N   .    63   .   HN   parsed_2kz4   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.2300   .   .   .   .   .    64   .   N   .    64   .   HN   parsed_2kz4   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.8900   .   .   .   .   .    76   .   N   .    76   .   HN   parsed_2kz4   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.5650   .   .   .   .   .    77   .   N   .    77   .   HN   parsed_2kz4   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.8100   .   .   .   .   .    78   .   N   .    78   .   HN   parsed_2kz4   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.3450   .   .   .   .   .    79   .   N   .    79   .   HN   parsed_2kz4   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.9200   .   .   .   .   .    86   .   N   .    86   .   HN   parsed_2kz4   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.6000   .   .   .   .   .    87   .   N   .    87   .   HN   parsed_2kz4   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.0850   .   .   .   .   .    89   .   N   .    89   .   HN   parsed_2kz4   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.6400   .   .   .   .   .   101   .   N   .   101   .   HN   parsed_2kz4   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.7050   .   .   .   .   .   104   .   N   .   104   .   HN   parsed_2kz4   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.4750   .   .   .   .   .   106   .   N   .   106   .   HN   parsed_2kz4   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.7500   .   .   .   .   .   107   .   N   .   107   .   HN   parsed_2kz4   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.6600   .   .   .   .   .   108   .   N   .   108   .   HN   parsed_2kz4   1   
    stop_

save_





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