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
52816 2o33 15081 cing 2-parsed STAR dipolar coupling 71


data_2o33_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2o33 
    _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_2o33   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2o33 
    _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   2o33   "Master copy"    parsed_2o33   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2o33 
    _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   2o33.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2o33   1   
        1   2o33.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             332   parsed_2o33   1   
        1   2o33.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    111   parsed_2o33   1   
        1   2o33.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"     71   parsed_2o33   1   
        1   2o33.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2o33   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2o33 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.56     0.36     2.76   .   .   .    1   .   C8    .    1   .   H8    parsed_2o33   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.2     -8.40    -6.00   .   .   .    2   .   C8    .    2   .   H8    parsed_2o33   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.4      9.20    11.60   .   .   .    3   .   C6    .    3   .   H6    parsed_2o33   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.4     12.20    14.60   .   .   .    6   .   C8    .    6   .   H8    parsed_2o33   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.7      5.50     7.90   .   .   .    7   .   C6    .    7   .   H6    parsed_2o33   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.2      6.00     8.40   .   .   .    8   .   C6    .    8   .   H6    parsed_2o33   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.3      6.10     8.50   .   .   .   13   .   C8    .   13   .   H8    parsed_2o33   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.1      2.90     5.30   .   .   .   14   .   C8    .   14   .   H8    parsed_2o33   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.1     -1.10     1.30   .   .   .   19   .   C6    .   19   .   H6    parsed_2o33   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.1    -11.30    -8.90   .   .   .   20   .   C6    .   20   .   H6    parsed_2o33   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.7     -5.90    -3.50   .   .   .    3   .   C5    .    3   .   H5    parsed_2o33   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.2      9.00    11.40   .   .   .    5   .   C5    .    5   .   H5    parsed_2o33   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.1      4.90     7.30   .   .   .   15   .   C5    .   15   .   H5    parsed_2o33   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.5      6.30     8.70   .   .   .   17   .   C5    .   17   .   H5    parsed_2o33   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.7      0.50     2.90   .   .   .    8   .   C5    .    8   .   H6    parsed_2o33   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.9     -2.10     0.30   .   .   .    4   .   C6    .    4   .   H5    parsed_2o33   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.2     -1.00     1.40   .   .   .    5   .   C6    .    5   .   H5    parsed_2o33   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.6      0.40     2.80   .   .   .    9   .   C6    .    9   .   H5    parsed_2o33   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.1     -0.10     2.30   .   .   .   16   .   C6    .   16   .   H5    parsed_2o33   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.3     -0.90     1.50   .   .   .   17   .   C6    .   17   .   H5    parsed_2o33   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.1     -1.10     1.30   .   .   .    3   .   C4    .    3   .   H5    parsed_2o33   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.2     -2.40     0.00   .   .   .   20   .   C4    .   20   .   H5    parsed_2o33   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.4     -1.60     0.80   .   .   .    4   .   C5    .    4   .   C6    parsed_2o33   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.6     -2.80    -0.40   .   .   .    5   .   C5    .    5   .   C6    parsed_2o33   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.8      0.60     3.00   .   .   .   17   .   C5    .   17   .   C6    parsed_2o33   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.4     -1.60     0.80   .   .   .   19   .   C4    .   19   .   C5    parsed_2o33   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.6    -19.80   -17.40   .   .   .    3   .   C1'   .    3   .   H1'   parsed_2o33   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.8    -12.00    -9.60   .   .   .    4   .   C1'   .    4   .   H1'   parsed_2o33   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3      2.10     4.50   .   .   .    5   .   C1'   .    5   .   H1'   parsed_2o33   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.9      2.70     5.10   .   .   .    6   .   C1'   .    6   .   H1'   parsed_2o33   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.7      8.50    10.90   .   .   .    8   .   C1'   .    8   .   H1'   parsed_2o33   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.7     -2.90    -0.50   .   .   .    9   .   C1'   .    9   .   H1'   parsed_2o33   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.1    -13.30   -10.90   .   .   .   13   .   C1'   .   13   .   H1'   parsed_2o33   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.3    -12.50   -10.10   .   .   .   14   .   C1'   .   14   .   H1'   parsed_2o33   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.2     -9.40    -7.00   .   .   .   15   .   C1'   .   15   .   H1'   parsed_2o33   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.6      0.40     2.80   .   .   .   16   .   C1'   .   16   .   H1'   parsed_2o33   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.1      8.90    11.30   .   .   .   17   .   C1'   .   17   .   H1'   parsed_2o33   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.3     12.10    14.50   .   .   .   18   .   C1'   .   18   .   H1'   parsed_2o33   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.0      7.80    10.20   .   .   .   19   .   C1'   .   19   .   H1'   parsed_2o33   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.4      3.20     5.60   .   .   .   20   .   C1'   .   20   .   H1'   parsed_2o33   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.1      1.90     4.30   .   .   .    1   .   C2'   .    1   .   H2'   parsed_2o33   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.2      3.00     5.40   .   .   .    2   .   C2'   .    2   .   H2'   parsed_2o33   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.6     -3.80    -1.40   .   .   .    4   .   C2'   .    4   .   H2'   parsed_2o33   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.5    -16.70   -14.30   .   .   .    5   .   C2'   .    5   .   H2'   parsed_2o33   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.8    -12.00    -9.60   .   .   .    7   .   C2'   .    7   .   H2'   parsed_2o33   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.2      9.00    11.40   .   .   .    9   .   C2'   .    9   .   H2'   parsed_2o33   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.8      6.60     9.00   .   .   .   16   .   C2'   .   16   .   H2'   parsed_2o33   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     -6.20    -3.80   .   .   .   17   .   C2'   .   17   .   H2'   parsed_2o33   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.0      3.80     6.20   .   .   .   18   .   C2'   .   18   .   H2'   parsed_2o33   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0     -2.20     0.20   .   .   .   19   .   C2'   .   19   .   H2'   parsed_2o33   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.3      9.10    11.50   .   .   .   20   .   C2'   .   20   .   H2'   parsed_2o33   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3      2.10     4.50   .   .   .    1   .   C3'   .    1   .   H3'   parsed_2o33   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.7      2.50     4.90   .   .   .    2   .   C3'   .    2   .   H3'   parsed_2o33   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.1    -15.30   -12.90   .   .   .    4   .   C3'   .    4   .   H3'   parsed_2o33   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.3     -4.50    -2.10   .   .   .    5   .   C3'   .    5   .   H3'   parsed_2o33   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.2     12.00    14.40   .   .   .    7   .   C3'   .    7   .   H3'   parsed_2o33   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.8      7.60    10.00   .   .   .    9   .   C3'   .    9   .   H3'   parsed_2o33   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.1     -4.30    -1.90   .   .   .   13   .   C3'   .   13   .   H3'   parsed_2o33   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.3     -0.90     1.50   .   .   .   14   .   C3'   .   14   .   H3'   parsed_2o33   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.1     -0.10     2.30   .   .   .   16   .   C3'   .   16   .   H3'   parsed_2o33   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.0      3.80     6.20   .   .   .   17   .   C3'   .   17   .   H3'   parsed_2o33   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.1      8.90    11.30   .   .   .   18   .   C3'   .   18   .   H3'   parsed_2o33   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.9     14.70    17.10   .   .   .   19   .   C3'   .   19   .   H3'   parsed_2o33   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.7     13.50    15.90   .   .   .   20   .   C3'   .   20   .   H3'   parsed_2o33   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.4     -8.60    -6.20   .   .   .    4   .   C4'   .    4   .   H4'   parsed_2o33   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2     -7.40    -5.00   .   .   .    5   .   C4'   .    5   .   H4'   parsed_2o33   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.4      4.20     6.60   .   .   .    9   .   C4'   .    9   .   H4'   parsed_2o33   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.4     -0.80     1.60   .   .   .   13   .   C4'   .   13   .   H4'   parsed_2o33   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.9      9.70    12.10   .   .   .   15   .   C4'   .   15   .   H4'   parsed_2o33   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.8      5.60     8.00   .   .   .   16   .   C4'   .   16   .   H4'   parsed_2o33   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.6      4.40     6.80   .   .   .   17   .   C4'   .   17   .   H4'   parsed_2o33   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   "Residual dipolar coupling restraints"    2   1   2   1   parsed_2o33   1   
    stop_

save_





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