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
653831 6uz4 30686 cing 2-parsed STAR dipolar coupling 48


data_6uz4_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6uz4 
    _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_6uz4   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6uz4 
    _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   6uz4   "Master copy"    parsed_6uz4   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6uz4 
    _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   6uz4.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_6uz4   1   
        1   6uz4.mr   .   .    XPLOR/CNS     2   "dipolar coupling"        "Not applicable"    "Not applicable"    48   parsed_6uz4   1   
        1   6uz4.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_6uz4   1   
        1   6uz4.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              0   parsed_6uz4   1   
        1   6uz4.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_6uz4   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_2
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_6uz4 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            2 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.50   .   .   .   .   .    10   .   N    .    10   .   HN   parsed_6uz4   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.62   .   .   .   .   .    14   .   N    .    14   .   HN   parsed_6uz4   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.93   .   .   .   .   .    15   .   N    .    15   .   HN   parsed_6uz4   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.97   .   .   .   .   .    16   .   N    .    16   .   HN   parsed_6uz4   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.49   .   .   .   .   .    19   .   N    .    19   .   HN   parsed_6uz4   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.40   .   .   .   .   .    22   .   N    .    22   .   HN   parsed_6uz4   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.84   .   .   .   .   .    26   .   N    .    26   .   HN   parsed_6uz4   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -32.36   .   .   .   .   .    29   .   N    .    29   .   HN   parsed_6uz4   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.07   .   .   .   .   .    30   .   N    .    30   .   HN   parsed_6uz4   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -33.39   .   .   .   .   .    32   .   N    .    32   .   HN   parsed_6uz4   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.63   .   .   .   .   .    34   .   N    .    34   .   HN   parsed_6uz4   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.96   .   .   .   .   .    39   .   N    .    39   .   HN   parsed_6uz4   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    41.11   .   .   .   .   .    40   .   N    .    40   .   HN   parsed_6uz4   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.58   .   .   .   .   .    42   .   N    .    42   .   HN   parsed_6uz4   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.72   .   .   .   .   .    43   .   N    .    43   .   HN   parsed_6uz4   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.07   .   .   .   .   .    45   .   N    .    45   .   HN   parsed_6uz4   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.41   .   .   .   .   .    46   .   N    .    46   .   HN   parsed_6uz4   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.06   .   .   .   .   .    49   .   N    .    49   .   HN   parsed_6uz4   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.64   .   .   .   .   .    52   .   N    .    52   .   HN   parsed_6uz4   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.77   .   .   .   .   .    53   .   N    .    53   .   HN   parsed_6uz4   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    39.33   .   .   .   .   .    54   .   N    .    54   .   HN   parsed_6uz4   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.17   .   .   .   .   .    61   .   N    .    61   .   HN   parsed_6uz4   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.68   .   .   .   .   .    63   .   N    .    63   .   HN   parsed_6uz4   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -25.84   .   .   .   .   .    65   .   N    .    65   .   HN   parsed_6uz4   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.22   .   .   .   .   .    67   .   N    .    67   .   HN   parsed_6uz4   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.48   .   .   .   .   .    68   .   N    .    68   .   HN   parsed_6uz4   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.26   .   .   .   .   .    69   .   N    .    69   .   HN   parsed_6uz4   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.60   .   .   .   .   .    70   .   N    .    70   .   HN   parsed_6uz4   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.23   .   .   .   .   .    72   .   N    .    72   .   HN   parsed_6uz4   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    36.31   .   .   .   .   .    75   .   N    .    75   .   HN   parsed_6uz4   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.51   .   .   .   .   .    76   .   N    .    76   .   HN   parsed_6uz4   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    34.86   .   .   .   .   .    77   .   N    .    77   .   HN   parsed_6uz4   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.63   .   .   .   .   .    81   .   N    .    81   .   HN   parsed_6uz4   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.81   .   .   .   .   .   108   .   HN   .   108   .   N    parsed_6uz4   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.75   .   .   .   .   .   116   .   HN   .   116   .   N    parsed_6uz4   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.74   .   .   .   .   .   118   .   HN   .   118   .   N    parsed_6uz4   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.01   .   .   .   .   .   119   .   HN   .   119   .   N    parsed_6uz4   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.39   .   .   .   .   .   120   .   HN   .   120   .   N    parsed_6uz4   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.01   .   .   .   .   .   127   .   N    .   127   .   HN   parsed_6uz4   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.49   .   .   .   .   .   128   .   N    .   128   .   HN   parsed_6uz4   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.65   .   .   .   .   .   129   .   N    .   129   .   HN   parsed_6uz4   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.68   .   .   .   .   .   132   .   N    .   132   .   HN   parsed_6uz4   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.14   .   .   .   .   .   133   .   N    .   133   .   HN   parsed_6uz4   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.70   .   .   .   .   .   138   .   N    .   138   .   HN   parsed_6uz4   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.19   .   .   .   .   .   139   .   N    .   139   .   HN   parsed_6uz4   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.49   .   .   .   .   .   140   .   N    .   140   .   HN   parsed_6uz4   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.36   .   .   .   .   .   141   .   N    .   141   .   HN   parsed_6uz4   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.54   .   .   .   .   .   142   .   N    .   142   .   HN   parsed_6uz4   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 of K2 (resi 1 to 87) in the complex with AGL55"         2   1     2   53   parsed_6uz4   1   
        2   "RDC of AGL55 (resi 101 to 157) in the complex with K2"    236   1   236   55   parsed_6uz4   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 1: AGL55_K2_RDC.tbl"    1   1   1   37   parsed_6uz4   1   
    stop_

save_





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