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
43234 2ae9 6571 cing 2-parsed STAR dipolar coupling 30


data_2ae9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ae9 
    _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_2ae9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ae9 
    _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   2ae9   "Master copy"    parsed_2ae9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ae9 
    _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   2ae9.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2ae9   1   
        1   2ae9.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"      0   parsed_2ae9   1   
        1   2ae9.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    104   parsed_2ae9   1   
        1   2ae9.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple              66   parsed_2ae9   1   
        1   2ae9.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"     30   parsed_2ae9   1   
        1   2ae9.mr   .   .    unknown       6    sequence                 "Not applicable"    "Not applicable"      0   parsed_2ae9   1   
        1   2ae9.mr   .   .    XPLOR/CNS     7    distance                  NOE                 simple               0   parsed_2ae9   1   
        1   2ae9.mr   .   .    unknown       8   "chemical shift"          "Not applicable"    "Not applicable"      0   parsed_2ae9   1   
        1   2ae9.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2ae9   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2ae9 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.8289   .   .   .   .   .   10   .   N   .   10   .   HN   parsed_2ae9   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.2782   .   .   .   .   .   11   .   N   .   11   .   HN   parsed_2ae9   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2438   .   .   .   .   .   12   .   N   .   12   .   HN   parsed_2ae9   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.9144   .   .   .   .   .   14   .   N   .   14   .   HN   parsed_2ae9   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2128   .   .   .   .   .   15   .   N   .   15   .   HN   parsed_2ae9   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.1566   .   .   .   .   .   18   .   N   .   18   .   HN   parsed_2ae9   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   10.3666   .   .   .   .   .   21   .   N   .   21   .   HN   parsed_2ae9   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   13.6643   .   .   .   .   .   24   .   N   .   24   .   HN   parsed_2ae9   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.9513   .   .   .   .   .   26   .   N   .   26   .   HN   parsed_2ae9   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.5306   .   .   .   .   .   28   .   N   .   28   .   HN   parsed_2ae9   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.2459   .   .   .   .   .   29   .   N   .   29   .   HN   parsed_2ae9   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.1143   .   .   .   .   .   33   .   N   .   33   .   HN   parsed_2ae9   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.7261   .   .   .   .   .   36   .   N   .   36   .   HN   parsed_2ae9   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   16.6166   .   .   .   .   .   37   .   N   .   37   .   HN   parsed_2ae9   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.9401   .   .   .   .   .   38   .   N   .   38   .   HN   parsed_2ae9   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   15.0060   .   .   .   .   .   39   .   N   .   39   .   HN   parsed_2ae9   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   15.0229   .   .   .   .   .   40   .   N   .   40   .   HN   parsed_2ae9   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.8683   .   .   .   .   .   42   .   N   .   42   .   HN   parsed_2ae9   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   19.3857   .   .   .   .   .   43   .   N   .   43   .   HN   parsed_2ae9   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.6911   .   .   .   .   .   44   .   N   .   44   .   HN   parsed_2ae9   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   10.3733   .   .   .   .   .   46   .   N   .   46   .   HN   parsed_2ae9   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   12.9825   .   .   .   .   .   49   .   N   .   49   .   HN   parsed_2ae9   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   15.5037   .   .   .   .   .   50   .   N   .   50   .   HN   parsed_2ae9   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   18.0911   .   .   .   .   .   51   .   N   .   51   .   HN   parsed_2ae9   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   15.7705   .   .   .   .   .   52   .   N   .   52   .   HN   parsed_2ae9   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   13.1168   .   .   .   .   .   53   .   N   .   53   .   HN   parsed_2ae9   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.4854   .   .   .   .   .   64   .   N   .   64   .   HN   parsed_2ae9   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.5332   .   .   .   .   .   65   .   N   .   65   .   HN   parsed_2ae9   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.9290   .   .   .   .   .   66   .   N   .   66   .   HN   parsed_2ae9   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.0002   .   .   .   .   .   67   .   N   .   67   .   HN   parsed_2ae9   1   
    stop_

save_





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