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
519861 2lfs 17776 cing 2-parsed STAR dipolar coupling 56


data_2lfs_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lfs 
    _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_2lfs   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lfs 
    _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   2lfs   "Master copy"    parsed_2lfs   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lfs 
    _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   2lfs.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2lfs   1   
        1   2lfs.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1546   parsed_2lfs   1   
        1   2lfs.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"      54   parsed_2lfs   1   
        1   2lfs.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      56   parsed_2lfs   1   
        1   2lfs.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2lfs   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2lfs 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.2   .   .   .   .   A   331   .   HN   A   331   .   N   parsed_2lfs   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.3   .   .   .   .   A   332   .   HN   A   332   .   N   parsed_2lfs   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.6   .   .   .   .   A   333   .   HN   A   333   .   N   parsed_2lfs   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.6   .   .   .   .   A   334   .   HN   A   334   .   N   parsed_2lfs   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.7   .   .   .   .   A   336   .   HN   A   336   .   N   parsed_2lfs   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.7   .   .   .   .   A   338   .   HN   A   338   .   N   parsed_2lfs   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.2   .   .   .   .   A   340   .   HN   A   340   .   N   parsed_2lfs   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.4   .   .   .   .   A   342   .   HN   A   342   .   N   parsed_2lfs   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.0   .   .   .   .   A   343   .   HN   A   343   .   N   parsed_2lfs   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.6   .   .   .   .   A   344   .   HN   A   344   .   N   parsed_2lfs   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.2   .   .   .   .   A   348   .   HN   A   348   .   N   parsed_2lfs   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.4   .   .   .   .   A   351   .   HN   A   351   .   N   parsed_2lfs   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.4   .   .   .   .   A   354   .   HN   A   354   .   N   parsed_2lfs   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.3   .   .   .   .   A   355   .   HN   A   355   .   N   parsed_2lfs   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.9   .   .   .   .   A   357   .   HN   A   357   .   N   parsed_2lfs   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.7   .   .   .   .   A   361   .   HN   A   361   .   N   parsed_2lfs   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.2   .   .   .   .   A   362   .   HN   A   362   .   N   parsed_2lfs   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.0   .   .   .   .   A   364   .   HN   A   364   .   N   parsed_2lfs   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    31.1   .   .   .   .   A   369   .   HN   A   369   .   N   parsed_2lfs   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.8   .   .   .   .   A   372   .   HN   A   372   .   N   parsed_2lfs   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.9   .   .   .   .   A   374   .   HN   A   374   .   N   parsed_2lfs   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.8   .   .   .   .   A   376   .   HN   A   376   .   N   parsed_2lfs   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.7   .   .   .   .   A   381   .   HN   A   381   .   N   parsed_2lfs   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.9   .   .   .   .   A   382   .   HN   A   382   .   N   parsed_2lfs   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.0   .   .   .   .   A   383   .   HN   A   383   .   N   parsed_2lfs   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.3   .   .   .   .   A   384   .   HN   A   384   .   N   parsed_2lfs   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.5   .   .   .   .   A   385   .   HN   A   385   .   N   parsed_2lfs   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.5   .   .   .   .   A   386   .   HN   A   386   .   N   parsed_2lfs   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.2   .   .   .   .   B   331   .   HN   B   331   .   N   parsed_2lfs   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.3   .   .   .   .   B   332   .   HN   B   332   .   N   parsed_2lfs   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.6   .   .   .   .   B   333   .   HN   B   333   .   N   parsed_2lfs   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.6   .   .   .   .   B   334   .   HN   B   334   .   N   parsed_2lfs   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.7   .   .   .   .   B   336   .   HN   B   336   .   N   parsed_2lfs   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.7   .   .   .   .   B   338   .   HN   B   338   .   N   parsed_2lfs   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.2   .   .   .   .   B   340   .   HN   B   340   .   N   parsed_2lfs   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.4   .   .   .   .   B   342   .   HN   B   342   .   N   parsed_2lfs   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.0   .   .   .   .   B   343   .   HN   B   343   .   N   parsed_2lfs   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.6   .   .   .   .   B   344   .   HN   B   344   .   N   parsed_2lfs   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.2   .   .   .   .   B   348   .   HN   B   348   .   N   parsed_2lfs   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.4   .   .   .   .   B   351   .   HN   B   351   .   N   parsed_2lfs   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.4   .   .   .   .   B   354   .   HN   B   354   .   N   parsed_2lfs   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.3   .   .   .   .   B   355   .   HN   B   355   .   N   parsed_2lfs   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.9   .   .   .   .   B   357   .   HN   B   357   .   N   parsed_2lfs   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.7   .   .   .   .   B   361   .   HN   B   361   .   N   parsed_2lfs   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.2   .   .   .   .   B   362   .   HN   B   362   .   N   parsed_2lfs   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.0   .   .   .   .   B   364   .   HN   B   364   .   N   parsed_2lfs   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    31.1   .   .   .   .   B   369   .   HN   B   369   .   N   parsed_2lfs   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.8   .   .   .   .   B   372   .   HN   B   372   .   N   parsed_2lfs   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.9   .   .   .   .   B   374   .   HN   B   374   .   N   parsed_2lfs   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.8   .   .   .   .   B   376   .   HN   B   376   .   N   parsed_2lfs   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.7   .   .   .   .   B   381   .   HN   B   381   .   N   parsed_2lfs   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.9   .   .   .   .   B   382   .   HN   B   382   .   N   parsed_2lfs   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.0   .   .   .   .   B   383   .   HN   B   383   .   N   parsed_2lfs   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.3   .   .   .   .   B   384   .   HN   B   384   .   N   parsed_2lfs   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.5   .   .   .   .   B   385   .   HN   B   385   .   N   parsed_2lfs   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.5   .   .   .   .   B   386   .   HN   B   386   .   N   parsed_2lfs   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   "!  DHp Domain"    1   1   1   15   parsed_2lfs   1   
    stop_

save_





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