NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type item_count
34318 1jox cing 2-parsed STAR dipolar coupling 56


data_1jox_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1jox 
    _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_1jox   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1jox 
    _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   1jox   "Master copy"    parsed_1jox   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1jox 
    _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   1jox.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1jox   1   
        1   1jox.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               363   parsed_1jox   1   
        1   1jox.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              40   parsed_1jox   1   
        1   1jox.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"      4   parsed_1jox   1   
        1   1jox.mr   .   .    XPLOR/CNS     5    planarity                "Not applicable"    "Not applicable"      0   parsed_1jox   1   
        1   1jox.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"     56   parsed_1jox   1   
        1   1jox.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1jox   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_6
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1jox 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.2700   .   .   .   .   .    1   .   C8    .    1   .   H8    parsed_1jox   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.6000   .   .   .   .   .    2   .   C8    .    2   .   H8    parsed_1jox   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.590    .   .   .   .   .    3   .   C6    .    3   .   H6    parsed_1jox   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.510    .   .   .   .   .    4   .   C8    .    4   .   H8    parsed_1jox   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.27     .   .   .   .   .    5   .   C8    .    5   .   H8    parsed_1jox   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.12     .   .   .   .   .    7   .   C8    .    7   .   H8    parsed_1jox   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.939    .   .   .   .   .    8   .   C6    .    8   .   H6    parsed_1jox   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.170    .   .   .   .   .   15   .   C8    .   15   .   H8    parsed_1jox   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.650    .   .   .   .   .   16   .   C6    .   16   .   H6    parsed_1jox   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.12     .   .   .   .   .   17   .   C6    .   17   .   H6    parsed_1jox   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.12     .   .   .   .   .   18   .   C6    .   18   .   H6    parsed_1jox   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.30     .   .   .   .   .   19   .   C8    .   19   .   H8    parsed_1jox   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.5300   .   .   .   .   .   21   .   C6    .   21   .   H6    parsed_1jox   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.860    .   .   .   .   .    2   .   C1'   .    2   .   H1'   parsed_1jox   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.630    .   .   .   .   .    3   .   C1'   .    3   .   H1'   parsed_1jox   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.9400   .   .   .   .   .    4   .   C1'   .    4   .   H1'   parsed_1jox   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.883    .   .   .   .   .    5   .   C1'   .    5   .   H1'   parsed_1jox   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.430    .   .   .   .   .    8   .   C1'   .    8   .   H1'   parsed_1jox   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.1200   .   .   .   .   .   10   .   C1'   .   10   .   H1'   parsed_1jox   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.21     .   .   .   .   .   11   .   C1'   .   11   .   H1'   parsed_1jox   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.160    .   .   .   .   .   12   .   C1'   .   12   .   H1'   parsed_1jox   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.570    .   .   .   .   .   15   .   C1'   .   15   .   H1'   parsed_1jox   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.400    .   .   .   .   .   16   .   C1'   .   16   .   H1'   parsed_1jox   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.7400   .   .   .   .   .   17   .   C1'   .   17   .   H1'   parsed_1jox   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.680    .   .   .   .   .   18   .   C1'   .   18   .   H1'   parsed_1jox   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.920    .   .   .   .   .   19   .   C1'   .   19   .   H1'   parsed_1jox   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.240    .   .   .   .   .   21   .   C1'   .   21   .   H1'   parsed_1jox   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.850    .   .   .   .   .    1   .   C2'   .    1   .   H2'   parsed_1jox   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.7200   .   .   .   .   .    2   .   C2'   .    2   .   H2'   parsed_1jox   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.1700   .   .   .   .   .    3   .   C2'   .    3   .   H2'   parsed_1jox   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.7900   .   .   .   .   .    4   .   C2'   .    4   .   H2'   parsed_1jox   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.4100   .   .   .   .   .    5   .   C2'   .    5   .   H2'   parsed_1jox   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.170    .   .   .   .   .    8   .   C2'   .    8   .   H2'   parsed_1jox   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.9600   .   .   .   .   .   10   .   C2'   .   10   .   H2'   parsed_1jox   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.7200   .   .   .   .   .   11   .   C2'   .   11   .   H2'   parsed_1jox   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.78     .   .   .   .   .   12   .   C2'   .   12   .   H2'   parsed_1jox   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.580    .   .   .   .   .   15   .   C2'   .   15   .   H2'   parsed_1jox   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.450    .   .   .   .   .   16   .   C2'   .   16   .   H2'   parsed_1jox   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.850    .   .   .   .   .   17   .   C2'   .   17   .   H2'   parsed_1jox   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.340    .   .   .   .   .   18   .   C2'   .   18   .   H2'   parsed_1jox   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.170    .   .   .   .   .   19   .   C2'   .   19   .   H2'   parsed_1jox   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.850    .   .   .   .   .   21   .   C2'   .   21   .   H2'   parsed_1jox   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.580    .   .   .   .   .    1   .   C3'   .    1   .   H3'   parsed_1jox   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.5500   .   .   .   .   .    2   .   C3'   .    2   .   H3'   parsed_1jox   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.3200   .   .   .   .   .    8   .   C3'   .    8   .   H3'   parsed_1jox   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.68     .   .   .   .   .   10   .   C3'   .   10   .   H3'   parsed_1jox   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.9900   .   .   .   .   .   11   .   C3'   .   11   .   H3'   parsed_1jox   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.730    .   .   .   .   .   12   .   C3'   .   12   .   H3'   parsed_1jox   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.540    .   .   .   .   .   19   .   C3'   .   19   .   H3'   parsed_1jox   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.03     .   .   .   .   .   21   .   C3'   .   21   .   H3'   parsed_1jox   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.6300   .   .   .   .   .    1   .   C4'   .    1   .   H4'   parsed_1jox   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.2700   .   .   .   .   .    5   .   C4'   .    5   .   H4'   parsed_1jox   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.580    .   .   .   .   .   10   .   C4'   .   10   .   H4'   parsed_1jox   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.190    .   .   .   .   .   11   .   C4'   .   11   .   H4'   parsed_1jox   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.800    .   .   .   .   .   12   .   C4'   .   12   .   H4'   parsed_1jox   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.47     .   .   .   .   .   21   .   C4'   .   21   .   H4'   parsed_1jox   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 (Sani) restraints"    1   1   3   2   parsed_1jox   1   
    stop_

save_





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