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 subtype subsubtype item_count
537591 2lab 17519 cing 2-parsed STAR distance hydrogen bond simple 45


data_2lab_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lab 
    _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_2lab   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lab 
    _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   2lab   "Master copy"    parsed_2lab   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lab 
    _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   2lab.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2lab   1   
        1   2lab.mr   .   .    DYANA/DIANA   2    unknown                  "Not applicable"    "Not applicable"     0   parsed_2lab   1   
        1   2lab.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"    97   parsed_2lab   1   
        1   2lab.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"      simple             45   parsed_2lab   1   
        1   2lab.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2lab   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lab 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _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_2lab   1   
         2   1   .   .   .   parsed_2lab   1   
         3   1   .   .   .   parsed_2lab   1   
         4   1   .   .   .   parsed_2lab   1   
         5   1   .   .   .   parsed_2lab   1   
         6   1   .   .   .   parsed_2lab   1   
         7   1   .   .   .   parsed_2lab   1   
         8   1   .   .   .   parsed_2lab   1   
         9   1   .   .   .   parsed_2lab   1   
        10   1   .   .   .   parsed_2lab   1   
        11   1   .   .   .   parsed_2lab   1   
        12   1   .   .   .   parsed_2lab   1   
        13   1   .   .   .   parsed_2lab   1   
        14   1   .   .   .   parsed_2lab   1   
        15   1   .   .   .   parsed_2lab   1   
        16   1   .   .   .   parsed_2lab   1   
        17   1   .   .   .   parsed_2lab   1   
        18   1   .   .   .   parsed_2lab   1   
        19   1   .   .   .   parsed_2lab   1   
        20   1   .   .   .   parsed_2lab   1   
        21   1   .   .   .   parsed_2lab   1   
        22   1   .   .   .   parsed_2lab   1   
        23   1   .   .   .   parsed_2lab   1   
        24   1   .   .   .   parsed_2lab   1   
        25   1   .   .   .   parsed_2lab   1   
        26   1   .   .   .   parsed_2lab   1   
        27   1   .   .   .   parsed_2lab   1   
        28   1   .   .   .   parsed_2lab   1   
        29   1   .   .   .   parsed_2lab   1   
        30   1   .   .   .   parsed_2lab   1   
        31   1   .   .   .   parsed_2lab   1   
        32   1   .   .   .   parsed_2lab   1   
        33   1   .   .   .   parsed_2lab   1   
        34   1   .   .   .   parsed_2lab   1   
        35   1   .   .   .   parsed_2lab   1   
        36   1   .   .   .   parsed_2lab   1   
        37   1   .   .   .   parsed_2lab   1   
        38   1   .   .   .   parsed_2lab   1   
        39   1   .   .   .   parsed_2lab   1   
        40   1   .   .   .   parsed_2lab   1   
        41   1   .   .   .   parsed_2lab   1   
        42   1   .   .   .   parsed_2lab   1   
        43   1   .   .   .   parsed_2lab   1   
        44   1   .   .   .   parsed_2lab   1   
        45   1   .   .   .   parsed_2lab   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   .   .   .   .   .   .   .   .   .   536   VAL   N    parsed_2lab   1   
         1   1   2   .   .   .   .   .   .   .   .   .   579   VAL   O    parsed_2lab   1   
         2   1   1   .   .   .   .   .   .   .   .   .   538   VAL   HN   parsed_2lab   1   
         2   1   2   .   .   .   .   .   .   .   .   .   577   ILE   O    parsed_2lab   1   
         3   1   1   .   .   .   .   .   .   .   .   .   538   VAL   N    parsed_2lab   1   
         3   1   2   .   .   .   .   .   .   .   .   .   577   ILE   O    parsed_2lab   1   
         4   1   1   .   .   .   .   .   .   .   .   .   539   TYR   HN   parsed_2lab   1   
         4   1   2   .   .   .   .   .   .   .   .   .   613   SER   O    parsed_2lab   1   
         5   1   1   .   .   .   .   .   .   .   .   .   539   TYR   N    parsed_2lab   1   
         5   1   2   .   .   .   .   .   .   .   .   .   613   SER   O    parsed_2lab   1   
         6   1   1   .   .   .   .   .   .   .   .   .   540   TYR   HN   parsed_2lab   1   
         6   1   2   .   .   .   .   .   .   .   .   .   575   ALA   O    parsed_2lab   1   
         7   1   1   .   .   .   .   .   .   .   .   .   540   TYR   N    parsed_2lab   1   
         7   1   2   .   .   .   .   .   .   .   .   .   575   ALA   O    parsed_2lab   1   
         8   1   1   .   .   .   .   .   .   .   .   .   549   ILE   HN   parsed_2lab   1   
         8   1   2   .   .   .   .   .   .   .   .   .   564   VAL   O    parsed_2lab   1   
         9   1   1   .   .   .   .   .   .   .   .   .   549   ILE   N    parsed_2lab   1   
         9   1   2   .   .   .   .   .   .   .   .   .   564   VAL   O    parsed_2lab   1   
        10   1   1   .   .   .   .   .   .   .   .   .   550   HIS   HN   parsed_2lab   1   
        10   1   2   .   .   .   .   .   .   .   .   .   590   ALA   O    parsed_2lab   1   
        11   1   1   .   .   .   .   .   .   .   .   .   550   HIS   N    parsed_2lab   1   
        11   1   2   .   .   .   .   .   .   .   .   .   590   ALA   O    parsed_2lab   1   
        12   1   1   .   .   .   .   .   .   .   .   .   552   ARG   HN   parsed_2lab   1   
        12   1   2   .   .   .   .   .   .   .   .   .   588   GLU   O    parsed_2lab   1   
        13   1   1   .   .   .   .   .   .   .   .   .   552   ARG   N    parsed_2lab   1   
        13   1   2   .   .   .   .   .   .   .   .   .   588   GLU   O    parsed_2lab   1   
        14   1   1   .   .   .   .   .   .   .   .   .   554   ALA   HN   parsed_2lab   1   
        14   1   2   .   .   .   .   .   .   .   .   .   586   GLN   O    parsed_2lab   1   
        15   1   1   .   .   .   .   .   .   .   .   .   554   ALA   N    parsed_2lab   1   
        15   1   2   .   .   .   .   .   .   .   .   .   586   GLN   O    parsed_2lab   1   
        16   1   1   .   .   .   .   .   .   .   .   .   564   VAL   HN   parsed_2lab   1   
        16   1   2   .   .   .   .   .   .   .   .   .   549   ILE   O    parsed_2lab   1   
        17   1   1   .   .   .   .   .   .   .   .   .   564   VAL   N    parsed_2lab   1   
        17   1   2   .   .   .   .   .   .   .   .   .   549   ILE   O    parsed_2lab   1   
        18   1   1   .   .   .   .   .   .   .   .   .   569   ALA   HN   parsed_2lab   1   
        18   1   2   .   .   .   .   .   .   .   .   .   574   TYR   O    parsed_2lab   1   
        19   1   1   .   .   .   .   .   .   .   .   .   569   ALA   N    parsed_2lab   1   
        19   1   2   .   .   .   .   .   .   .   .   .   574   TYR   O    parsed_2lab   1   
        20   1   1   .   .   .   .   .   .   .   .   .   575   ALA   HN   parsed_2lab   1   
        20   1   2   .   .   .   .   .   .   .   .   .   540   TYR   O    parsed_2lab   1   
        21   1   1   .   .   .   .   .   .   .   .   .   575   ALA   N    parsed_2lab   1   
        21   1   2   .   .   .   .   .   .   .   .   .   540   TYR   O    parsed_2lab   1   
        22   1   1   .   .   .   .   .   .   .   .   .   577   ILE   HN   parsed_2lab   1   
        22   1   2   .   .   .   .   .   .   .   .   .   538   VAL   O    parsed_2lab   1   
        23   1   1   .   .   .   .   .   .   .   .   .   577   ILE   N    parsed_2lab   1   
        23   1   2   .   .   .   .   .   .   .   .   .   538   VAL   O    parsed_2lab   1   
        24   1   1   .   .   .   .   .   .   .   .   .   579   VAL   HN   parsed_2lab   1   
        24   1   2   .   .   .   .   .   .   .   .   .   536   VAL   O    parsed_2lab   1   
        25   1   1   .   .   .   .   .   .   .   .   .   579   VAL   N    parsed_2lab   1   
        25   1   2   .   .   .   .   .   .   .   .   .   536   VAL   O    parsed_2lab   1   
        26   1   1   .   .   .   .   .   .   .   .   .   587   LEU   HN   parsed_2lab   1   
        26   1   2   .   .   .   .   .   .   .   .   .   608   PHE   O    parsed_2lab   1   
        27   1   1   .   .   .   .   .   .   .   .   .   587   LEU   N    parsed_2lab   1   
        27   1   2   .   .   .   .   .   .   .   .   .   608   PHE   O    parsed_2lab   1   
        28   1   1   .   .   .   .   .   .   .   .   .   588   GLU   HN   parsed_2lab   1   
        28   1   2   .   .   .   .   .   .   .   .   .   552   ARG   O    parsed_2lab   1   
        29   1   1   .   .   .   .   .   .   .   .   .   588   GLU   N    parsed_2lab   1   
        29   1   2   .   .   .   .   .   .   .   .   .   552   ARG   O    parsed_2lab   1   
        30   1   1   .   .   .   .   .   .   .   .   .   590   ALA   HN   parsed_2lab   1   
        30   1   2   .   .   .   .   .   .   .   .   .   550   HIS   O    parsed_2lab   1   
        31   1   1   .   .   .   .   .   .   .   .   .   590   ALA   N    parsed_2lab   1   
        31   1   2   .   .   .   .   .   .   .   .   .   550   HIS   O    parsed_2lab   1   
        32   1   1   .   .   .   .   .   .   .   .   .   592   ASN   HN   parsed_2lab   1   
        32   1   2   .   .   .   .   .   .   .   .   .   548   TYR   O    parsed_2lab   1   
        33   1   1   .   .   .   .   .   .   .   .   .   592   ASN   N    parsed_2lab   1   
        33   1   2   .   .   .   .   .   .   .   .   .   548   TYR   O    parsed_2lab   1   
        34   1   1   .   .   .   .   .   .   .   .   .   599   ASP   HN   parsed_2lab   1   
        34   1   2   .   .   .   .   .   .   .   .   .   591   PHE   O    parsed_2lab   1   
        35   1   1   .   .   .   .   .   .   .   .   .   599   ASP   N    parsed_2lab   1   
        35   1   2   .   .   .   .   .   .   .   .   .   591   PHE   O    parsed_2lab   1   
        36   1   1   .   .   .   .   .   .   .   .   .   608   PHE   HN   parsed_2lab   1   
        36   1   2   .   .   .   .   .   .   .   .   .   587   LEU   O    parsed_2lab   1   
        37   1   1   .   .   .   .   .   .   .   .   .   608   PHE   N    parsed_2lab   1   
        37   1   2   .   .   .   .   .   .   .   .   .   587   LEU   O    parsed_2lab   1   
        38   1   1   .   .   .   .   .   .   .   .   .   613   SER   HN   parsed_2lab   1   
        38   1   2   .   .   .   .   .   .   .   .   .   537   THR   O    parsed_2lab   1   
        39   1   1   .   .   .   .   .   .   .   .   .   613   SER   N    parsed_2lab   1   
        39   1   2   .   .   .   .   .   .   .   .   .   537   THR   O    parsed_2lab   1   
        40   1   1   .   .   .   .   .   .   .   .   .   614   THR   HN   parsed_2lab   1   
        40   1   2   .   .   .   .   .   .   .   .   .   627   ARG   O    parsed_2lab   1   
        41   1   1   .   .   .   .   .   .   .   .   .   614   THR   N    parsed_2lab   1   
        41   1   2   .   .   .   .   .   .   .   .   .   627   ARG   O    parsed_2lab   1   
        42   1   1   .   .   .   .   .   .   .   .   .   615   TYR   HN   parsed_2lab   1   
        42   1   2   .   .   .   .   .   .   .   .   .   539   TYR   O    parsed_2lab   1   
        43   1   1   .   .   .   .   .   .   .   .   .   615   TYR   N    parsed_2lab   1   
        43   1   2   .   .   .   .   .   .   .   .   .   539   TYR   O    parsed_2lab   1   
        44   1   1   .   .   .   .   .   .   .   .   .   627   ARG   HN   parsed_2lab   1   
        44   1   2   .   .   .   .   .   .   .   .   .   614   THR   O    parsed_2lab   1   
        45   1   1   .   .   .   .   .   .   .   .   .   627   ARG   N    parsed_2lab   1   
        45   1   2   .   .   .   .   .   .   .   .   .   614   THR   O    parsed_2lab   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   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
         2   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
         3   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
         4   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
         5   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
         6   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
         7   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
         8   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
         9   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        10   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        11   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        12   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        13   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        14   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        15   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        16   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        17   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        18   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        19   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        20   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        21   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        22   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        23   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        24   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        25   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        26   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        27   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        28   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        29   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        30   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        31   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        32   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        33   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        34   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        35   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        36   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        37   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        38   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        39   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        40   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        41   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        42   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        43   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
        44   1   .   .   .   .   .   .   .   2.00   parsed_2lab   1   
        45   1   .   .   .   .   .   .   .   3.00   parsed_2lab   1   
    stop_

save_





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