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
489057 2l1f 17083 cing 2-parsed STAR distance general distance simple 10


data_2l1f_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2l1f 
    _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_2l1f   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2l1f 
    _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   2l1f   "Master copy"    parsed_2l1f   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2l1f 
    _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   2l1f.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"      0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    2    distance                 "general distance"     simple             138   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    3    distance                 "hydrogen bond"        simple              88   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    4    distance                  NOE                   simple             236   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    5    distance                 "general distance"     simple              44   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    6    distance                 "general distance"     simple             138   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    7    distance                 "hydrogen bond"        simple              88   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    8    distance                  NOE                   simple             236   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA    9    distance                 "general distance"     simple              44   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   10    distance                 "general distance"     simple              60   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   11    distance                 "hydrogen bond"        simple              44   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   12    distance                  NOE                   simple             115   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   13    distance                 "general distance"     simple              10   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   14    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   15    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   16    distance                  NOE                   simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   17    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   18    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   19    distance                  NOE                   simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   20    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   21    distance                  NOE                   simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   22    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   23    distance                  NOE                   simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   24    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   25    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   26    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   27    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   28    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   29    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   30    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   31    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   32    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   33    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   34    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   35    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   36    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   37    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   38    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   39    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   40    distance                 "hydrogen bond"        simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   41    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   42    distance                 "general distance"     simple               0   parsed_2l1f   1   
        1   2l1f.mr   .   .    DYANA/DIANA   43   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_2l1f   1   
        1   2l1f.mr   .   .   "MR format"    44   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2l1f   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_13
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2l1f 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            13 
    _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_2l1f   1   
         2   1   .   .   .   parsed_2l1f   1   
         3   1   .   .   .   parsed_2l1f   1   
         4   1   .   .   .   parsed_2l1f   1   
         5   1   .   .   .   parsed_2l1f   1   
         6   1   .   .   .   parsed_2l1f   1   
         7   1   .   .   .   parsed_2l1f   1   
         8   1   .   .   .   parsed_2l1f   1   
         9   1   .   .   .   parsed_2l1f   1   
        10   1   .   .   .   parsed_2l1f   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   .   .   .   .   .   .   .   .   .   355   RCYT   P   parsed_2l1f   1   
         1   1   2   .   .   .   .   .   .   .   .   .   370   RCYT   P   parsed_2l1f   1   
         2   1   1   .   .   .   .   .   .   .   .   .   355   RCYT   P   parsed_2l1f   1   
         2   1   2   .   .   .   .   .   .   .   .   .   369   RCYT   P   parsed_2l1f   1   
         3   1   1   .   .   .   .   .   .   .   .   .   355   RCYT   P   parsed_2l1f   1   
         3   1   2   .   .   .   .   .   .   .   .   .   368   RCYT   P   parsed_2l1f   1   
         4   1   1   .   .   .   .   .   .   .   .   .   355   RCYT   P   parsed_2l1f   1   
         4   1   2   .   .   .   .   .   .   .   .   .   367   URA    P   parsed_2l1f   1   
         5   1   1   .   .   .   .   .   .   .   .   .   356   RCYT   P   parsed_2l1f   1   
         5   1   2   .   .   .   .   .   .   .   .   .   369   RCYT   P   parsed_2l1f   1   
         6   1   1   .   .   .   .   .   .   .   .   .   356   RCYT   P   parsed_2l1f   1   
         6   1   2   .   .   .   .   .   .   .   .   .   368   RCYT   P   parsed_2l1f   1   
         7   1   1   .   .   .   .   .   .   .   .   .   356   RCYT   P   parsed_2l1f   1   
         7   1   2   .   .   .   .   .   .   .   .   .   367   URA    P   parsed_2l1f   1   
         8   1   1   .   .   .   .   .   .   .   .   .   357   RCYT   P   parsed_2l1f   1   
         8   1   2   .   .   .   .   .   .   .   .   .   368   RCYT   P   parsed_2l1f   1   
         9   1   1   .   .   .   .   .   .   .   .   .   357   RCYT   P   parsed_2l1f   1   
         9   1   2   .   .   .   .   .   .   .   .   .   367   URA    P   parsed_2l1f   1   
        10   1   1   .   .   .   .   .   .   .   .   .   358   URA    P   parsed_2l1f   1   
        10   1   2   .   .   .   .   .   .   .   .   .   367   URA    P   parsed_2l1f   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   .   .   .   .   .   .   14.50   .   parsed_2l1f   1   
         2   1   .   .   .   .   .   .   11.50   .   parsed_2l1f   1   
         3   1   .   .   .   .   .   .   11.50   .   parsed_2l1f   1   
         4   1   .   .   .   .   .   .   14.50   .   parsed_2l1f   1   
         5   1   .   .   .   .   .   .   14.50   .   parsed_2l1f   1   
         6   1   .   .   .   .   .   .   11.50   .   parsed_2l1f   1   
         7   1   .   .   .   .   .   .   11.50   .   parsed_2l1f   1   
         8   1   .   .   .   .   .   .   14.50   .   parsed_2l1f   1   
         9   1   .   .   .   .   .   .   11.50   .   parsed_2l1f   1   
        10   1   .   .   .   .   .   .   14.50   .   parsed_2l1f   1   
    stop_

save_





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