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
523241 2ljb 17928 cing 2-parsed STAR dipolar coupling 26


data_2ljb_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ljb 
    _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_2ljb   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ljb 
    _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   2ljb   "Master copy"    parsed_2ljb   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ljb 
    _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   2ljb.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2ljb   1   
        1   2ljb.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             113   parsed_2ljb   1   
        1   2ljb.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     44   parsed_2ljb   1   
        1   2ljb.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"     26   parsed_2ljb   1   
        1   2ljb.mr   .   .    XPLOR/CNS     5    distance                  NOE                 simple               0   parsed_2ljb   1   
        1   2ljb.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2ljb   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2ljb 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.172     6.172     8.172   .   .   AN1    7   .   N   AN1    7   .   HN   parsed_2ljb   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.189   -11.189    -9.189   .   .   AN1    9   .   N   AN1    9   .   HN   parsed_2ljb   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.765   -15.765   -13.765   .   .   AN1   10   .   N   AN1   10   .   HN   parsed_2ljb   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.055    -2.055    -0.055   .   .   AN1   11   .   N   AN1   11   .   HN   parsed_2ljb   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.374     0.374     2.374   .   .   AN1   12   .   N   AN1   12   .   HN   parsed_2ljb   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.280   -10.280    -8.280   .   .   AN1   13   .   N   AN1   13   .   HN   parsed_2ljb   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.166   -11.166    -9.166   .   .   AN1   14   .   N   AN1   14   .   HN   parsed_2ljb   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.428     2.428     4.428   .   .   AN1   15   .   N   AN1   15   .   HN   parsed_2ljb   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.568    -3.568    -1.568   .   .   AN1   16   .   N   AN1   16   .   HN   parsed_2ljb   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.057   -14.057   -12.057   .   .   AN1   17   .   N   AN1   17   .   HN   parsed_2ljb   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.412    -5.412    -3.412   .   .   AN1   18   .   N   AN1   18   .   HN   parsed_2ljb   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.195     2.195     4.195   .   .   AN1   19   .   N   AN1   19   .   HN   parsed_2ljb   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.766    -6.766    -4.766   .   .   AN1   20   .   N   AN1   20   .   HN   parsed_2ljb   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.249   -14.249   -12.249   .   .   AN1   21   .   N   AN1   21   .   HN   parsed_2ljb   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.836    -0.164     1.836   .   .   AN1   22   .   N   AN1   22   .   HN   parsed_2ljb   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.473    -0.527     1.473   .   .   AN1   23   .   N   AN1   23   .   HN   parsed_2ljb   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.668   -12.668   -10.668   .   .   AN1   24   .   N   AN1   24   .   HN   parsed_2ljb   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.902    -7.902    -5.902   .   .   AN1   25   .   N   AN1   25   .   HN   parsed_2ljb   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.876     1.876     3.876   .   .   AN1   26   .   N   AN1   26   .   HN   parsed_2ljb   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.097    -6.097    -4.097   .   .   AN1   27   .   N   AN1   27   .   HN   parsed_2ljb   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.290   -18.290   -16.290   .   .   AN1   28   .   N   AN1   28   .   HN   parsed_2ljb   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.856     1.856     3.856   .   .   AN1   29   .   N   AN1   29   .   HN   parsed_2ljb   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.860     3.860     5.860   .   .   AN1   30   .   N   AN1   30   .   HN   parsed_2ljb   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.480    -7.480    -5.480   .   .   AN1   31   .   N   AN1   31   .   HN   parsed_2ljb   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.632     0.632     2.632   .   .   AN1   32   .   N   AN1   32   .   HN   parsed_2ljb   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.034     1.034     3.034   .   .   AN1   33   .   N   AN1   33   .   HN   parsed_2ljb   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   "backbone RDCs, applied to each of the four monomers"    1   1   1   53   parsed_2ljb   1   
    stop_

save_





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