NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
28809 1a1t cing 2-parsed STAR distance NOE simple 20


data_1a1t_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1a1t 
    _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_1a1t   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1a1t 
    _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   1a1t   "Master copy"    parsed_1a1t   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1a1t 
    _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   1a1t.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"     0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    2    distance                 "hydrogen bond"        simple             12   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    3    distance                  NOE                   simple             51   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    4    distance                 "general distance"     simple              7   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    5    distance                 "hydrogen bond"        simple             18   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    6    distance                  NOE                   simple             96   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    7    distance                 "hydrogen bond"        simple              6   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    8    distance                  NOE                   simple             20   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA    9    distance                 "general distance"     simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA   10    distance                 "hydrogen bond"        simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA   11    distance                  NOE                   simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA   12    distance                 "hydrogen bond"        simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA   13    distance                 "general distance"     simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA   14    distance                  NOE                   simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA   15    distance                 "hydrogen bond"        simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .    n/a           16    comment                  "Not applicable"      "Not applicable"     0   parsed_1a1t   1   
        1   1a1t.mr   .   .    DYANA/DIANA   17    distance                  NOE                   simple              0   parsed_1a1t   1   
        1   1a1t.mr   .   .   "MR format"    18   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_1a1t   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_8
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1a1t 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            8 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_1a1t   1   
         2   1   .   .   .   parsed_1a1t   1   
         3   1   .   .   .   parsed_1a1t   1   
         4   1   .   .   .   parsed_1a1t   1   
         5   1   .   .   .   parsed_1a1t   1   
         6   1   .   .   .   parsed_1a1t   1   
         7   1   .   .   .   parsed_1a1t   1   
         8   1   .   .   .   parsed_1a1t   1   
         9   1   .   .   .   parsed_1a1t   1   
        10   1   .   .   .   parsed_1a1t   1   
        11   1   .   .   .   parsed_1a1t   1   
        12   1   .   .   .   parsed_1a1t   1   
        13   1   .   .   .   parsed_1a1t   1   
        14   1   .   .   .   parsed_1a1t   1   
        15   1   .   .   .   parsed_1a1t   1   
        16   1   .   .   .   parsed_1a1t   1   
        17   1   .   .   .   parsed_1a1t   1   
        18   1   .   .   .   parsed_1a1t   1   
        19   1   .   .   .   parsed_1a1t   1   
        20   1   .   .   .   parsed_1a1t   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .   13   VAL    QG2   parsed_1a1t   1   
         1   1   2   .   .   .   .   .   .   .   .   .   22   GLY    HA1   parsed_1a1t   1   
         2   1   1   .   .   .   .   .   .   .   .   .   13   VAL    QG2   parsed_1a1t   1   
         2   1   2   .   .   .   .   .   .   .   .   .   23   HIS    HA    parsed_1a1t   1   
         3   1   1   .   .   .   .   .   .   .   .   .   14   LYS    HA    parsed_1a1t   1   
         3   1   2   .   .   .   .   .   .   .   .   .   21   GLU    HG2   parsed_1a1t   1   
         4   1   1   .   .   .   .   .   .   .   .   .   14   LYS    QD    parsed_1a1t   1   
         4   1   2   .   .   .   .   .   .   .   .   .   16   PHE    QR    parsed_1a1t   1   
         5   1   1   .   .   .   .   .   .   .   .   .   14   LYS    QG    parsed_1a1t   1   
         5   1   2   .   .   .   .   .   .   .   .   .   16   PHE    QR    parsed_1a1t   1   
         6   1   1   .   .   .   .   .   .   .   .   .   14   LYS    QD    parsed_1a1t   1   
         6   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HZ3   parsed_1a1t   1   
         7   1   1   .   .   .   .   .   .   .   .   .   14   LYS    QG    parsed_1a1t   1   
         7   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HZ3   parsed_1a1t   1   
         8   1   1   .   .   .   .   .   .   .   .   .   14   LYS    QE    parsed_1a1t   1   
         8   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HZ3   parsed_1a1t   1   
         9   1   1   .   .   .   .   .   .   .   .   .   14   LYS    QE    parsed_1a1t   1   
         9   1   2   .   .   .   .   .   .   .   .   .   16   PHE    QR    parsed_1a1t   1   
        10   1   1   .   .   .   .   .   .   .   .   .   16   PHE    HA    parsed_1a1t   1   
        10   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HZ2   parsed_1a1t   1   
        11   1   1   .   .   .   .   .   .   .   .   .   16   PHE    HD1   parsed_1a1t   1   
        11   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HZ2   parsed_1a1t   1   
        12   1   1   .   .   .   .   .   .   .   .   .   17   ASN    HA    parsed_1a1t   1   
        12   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HE1   parsed_1a1t   1   
        13   1   1   .   .   .   .   .   .   .   .   .   17   ASN    HA    parsed_1a1t   1   
        13   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HD1   parsed_1a1t   1   
        14   1   1   .   .   .   .   .   .   .   .   .   18   CYS-   HA    parsed_1a1t   1   
        14   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HD1   parsed_1a1t   1   
        15   1   1   .   .   .   .   .   .   .   .   .   19   GLY    HA1   parsed_1a1t   1   
        15   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HD1   parsed_1a1t   1   
        16   1   1   .   .   .   .   .   .   .   .   .   19   GLY    HA2   parsed_1a1t   1   
        16   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HD1   parsed_1a1t   1   
        17   1   1   .   .   .   .   .   .   .   .   .   19   GLY    HA2   parsed_1a1t   1   
        17   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HE3   parsed_1a1t   1   
        18   1   1   .   .   .   .   .   .   .   .   .   19   GLY    HA1   parsed_1a1t   1   
        18   1   2   .   .   .   .   .   .   .   .   .   37   TRP    HE3   parsed_1a1t   1   
        19   1   1   .   .   .   .   .   .   .   .   .   24   ILE    QD1   parsed_1a1t   1   
        19   1   2   .   .   .   .   .   .   .   .   .   26   LYS    HG3   parsed_1a1t   1   
        20   1   1   .   .   .   .   .   .   .   .   .   24   ILE    QD1   parsed_1a1t   1   
        20   1   2   .   .   .   .   .   .   .   .   .   26   LYS    HG2   parsed_1a1t   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   .   .   5.50   parsed_1a1t   1   
         2   1   .   .   .   .   .   .   .   3.80   parsed_1a1t   1   
         3   1   .   .   .   .   .   .   .   3.30   parsed_1a1t   1   
         4   1   .   .   .   .   .   .   .   8.10   parsed_1a1t   1   
         5   1   .   .   .   .   .   .   .   8.10   parsed_1a1t   1   
         6   1   .   .   .   .   .   .   .   5.80   parsed_1a1t   1   
         7   1   .   .   .   .   .   .   .   5.80   parsed_1a1t   1   
         8   1   .   .   .   .   .   .   .   4.10   parsed_1a1t   1   
         9   1   .   .   .   .   .   .   .   6.40   parsed_1a1t   1   
        10   1   .   .   .   .   .   .   .   3.30   parsed_1a1t   1   
        11   1   .   .   .   .   .   .   .   2.70   parsed_1a1t   1   
        12   1   .   .   .   .   .   .   .   5.00   parsed_1a1t   1   
        13   1   .   .   .   .   .   .   .   5.00   parsed_1a1t   1   
        14   1   .   .   .   .   .   .   .   5.00   parsed_1a1t   1   
        15   1   .   .   .   .   .   .   .   5.00   parsed_1a1t   1   
        16   1   .   .   .   .   .   .   .   5.00   parsed_1a1t   1   
        17   1   .   .   .   .   .   .   .   3.30   parsed_1a1t   1   
        18   1   .   .   .   .   .   .   .   5.00   parsed_1a1t   1   
        19   1   .   .   .   .   .   .   .   3.80   parsed_1a1t   1   
        20   1   .   .   .   .   .   .   .   3.80   parsed_1a1t   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   NOE   1   1   1   4   parsed_1a1t   1   
    stop_

save_





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