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
53372 2rlf cing 2-parsed STAR distance NOE simple 112


data_2rlf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2rlf 
    _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_2rlf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2rlf 
    _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   2rlf   "Master copy"    parsed_2rlf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2rlf 
    _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   2rlf.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2rlf   1   
        1   2rlf.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             368   parsed_2rlf   1   
        1   2rlf.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             552   parsed_2rlf   1   
        1   2rlf.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple             112   parsed_2rlf   1   
        1   2rlf.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2rlf   1   
        1   2rlf.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2rlf   1   
        1   2rlf.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"    "Not applicable"      0   parsed_2rlf   1   
        1   2rlf.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2rlf   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2rlf 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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_2rlf   1   
          2   1   .   .   .   parsed_2rlf   1   
          3   1   .   .   .   parsed_2rlf   1   
          4   1   .   .   .   parsed_2rlf   1   
          5   1   .   .   .   parsed_2rlf   1   
          6   1   .   .   .   parsed_2rlf   1   
          7   1   .   .   .   parsed_2rlf   1   
          8   1   .   .   .   parsed_2rlf   1   
          9   1   .   .   .   parsed_2rlf   1   
         10   1   .   .   .   parsed_2rlf   1   
         11   1   .   .   .   parsed_2rlf   1   
         12   1   .   .   .   parsed_2rlf   1   
         13   1   .   .   .   parsed_2rlf   1   
         14   1   .   .   .   parsed_2rlf   1   
         15   1   .   .   .   parsed_2rlf   1   
         16   1   .   .   .   parsed_2rlf   1   
         17   1   .   .   .   parsed_2rlf   1   
         18   1   .   .   .   parsed_2rlf   1   
         19   1   .   .   .   parsed_2rlf   1   
         20   1   .   .   .   parsed_2rlf   1   
         21   1   .   .   .   parsed_2rlf   1   
         22   1   .   .   .   parsed_2rlf   1   
         23   1   .   .   .   parsed_2rlf   1   
         24   1   .   .   .   parsed_2rlf   1   
         25   1   .   .   .   parsed_2rlf   1   
         26   1   .   .   .   parsed_2rlf   1   
         27   1   .   .   .   parsed_2rlf   1   
         28   1   .   .   .   parsed_2rlf   1   
         29   1   .   .   .   parsed_2rlf   1   
         30   1   .   .   .   parsed_2rlf   1   
         31   1   .   .   .   parsed_2rlf   1   
         32   1   .   .   .   parsed_2rlf   1   
         33   1   .   .   .   parsed_2rlf   1   
         34   1   .   .   .   parsed_2rlf   1   
         35   1   .   .   .   parsed_2rlf   1   
         36   1   .   .   .   parsed_2rlf   1   
         37   1   .   .   .   parsed_2rlf   1   
         38   1   .   .   .   parsed_2rlf   1   
         39   1   .   .   .   parsed_2rlf   1   
         40   1   .   .   .   parsed_2rlf   1   
         41   1   .   .   .   parsed_2rlf   1   
         42   1   .   .   .   parsed_2rlf   1   
         43   1   .   .   .   parsed_2rlf   1   
         44   1   .   .   .   parsed_2rlf   1   
         45   1   .   .   .   parsed_2rlf   1   
         46   1   .   .   .   parsed_2rlf   1   
         47   1   .   .   .   parsed_2rlf   1   
         48   1   .   .   .   parsed_2rlf   1   
         49   1   .   .   .   parsed_2rlf   1   
         50   1   .   .   .   parsed_2rlf   1   
         51   1   .   .   .   parsed_2rlf   1   
         52   1   .   .   .   parsed_2rlf   1   
         53   1   .   .   .   parsed_2rlf   1   
         54   1   .   .   .   parsed_2rlf   1   
         55   1   .   .   .   parsed_2rlf   1   
         56   1   .   .   .   parsed_2rlf   1   
         57   1   .   .   .   parsed_2rlf   1   
         58   1   .   .   .   parsed_2rlf   1   
         59   1   .   .   .   parsed_2rlf   1   
         60   1   .   .   .   parsed_2rlf   1   
         61   1   .   .   .   parsed_2rlf   1   
         62   1   .   .   .   parsed_2rlf   1   
         63   1   .   .   .   parsed_2rlf   1   
         64   1   .   .   .   parsed_2rlf   1   
         65   1   .   .   .   parsed_2rlf   1   
         66   1   .   .   .   parsed_2rlf   1   
         67   1   .   .   .   parsed_2rlf   1   
         68   1   .   .   .   parsed_2rlf   1   
         69   1   .   .   .   parsed_2rlf   1   
         70   1   .   .   .   parsed_2rlf   1   
         71   1   .   .   .   parsed_2rlf   1   
         72   1   .   .   .   parsed_2rlf   1   
         73   1   .   .   .   parsed_2rlf   1   
         74   1   .   .   .   parsed_2rlf   1   
         75   1   .   .   .   parsed_2rlf   1   
         76   1   .   .   .   parsed_2rlf   1   
         77   1   .   .   .   parsed_2rlf   1   
         78   1   .   .   .   parsed_2rlf   1   
         79   1   .   .   .   parsed_2rlf   1   
         80   1   .   .   .   parsed_2rlf   1   
         81   1   .   .   .   parsed_2rlf   1   
         82   1   .   .   .   parsed_2rlf   1   
         83   1   .   .   .   parsed_2rlf   1   
         84   1   .   .   .   parsed_2rlf   1   
         85   1   .   .   .   parsed_2rlf   1   
         86   1   .   .   .   parsed_2rlf   1   
         87   1   .   .   .   parsed_2rlf   1   
         88   1   .   .   .   parsed_2rlf   1   
         89   1   .   .   .   parsed_2rlf   1   
         90   1   .   .   .   parsed_2rlf   1   
         91   1   .   .   .   parsed_2rlf   1   
         92   1   .   .   .   parsed_2rlf   1   
         93   1   .   .   .   parsed_2rlf   1   
         94   1   .   .   .   parsed_2rlf   1   
         95   1   .   .   .   parsed_2rlf   1   
         96   1   .   .   .   parsed_2rlf   1   
         97   1   .   .   .   parsed_2rlf   1   
         98   1   .   .   .   parsed_2rlf   1   
         99   1   .   .   .   parsed_2rlf   1   
        100   1   .   .   .   parsed_2rlf   1   
        101   1   .   .   .   parsed_2rlf   1   
        102   1   .   .   .   parsed_2rlf   1   
        103   1   .   .   .   parsed_2rlf   1   
        104   1   .   .   .   parsed_2rlf   1   
        105   1   .   .   .   parsed_2rlf   1   
        106   1   .   .   .   parsed_2rlf   1   
        107   1   .   .   .   parsed_2rlf   1   
        108   1   .   .   .   parsed_2rlf   1   
        109   1   .   .   .   parsed_2rlf   1   
        110   1   .   .   .   parsed_2rlf   1   
        111   1   .   .   .   parsed_2rlf   1   
        112   1   .   .   .   parsed_2rlf   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   .   .   .   .   .   .   .   .   RI1   199   .   HE#    parsed_2rlf   1   
          1   1   2   .   .   .   .   .   .   .   .   AN1   140   .   HD2#   parsed_2rlf   1   
          2   1   1   .   .   .   .   .   .   .   .   RI2   299   .   HE#    parsed_2rlf   1   
          2   1   2   .   .   .   .   .   .   .   .   AN2   240   .   HD2#   parsed_2rlf   1   
          3   1   1   .   .   .   .   .   .   .   .   RI3   399   .   HE#    parsed_2rlf   1   
          3   1   2   .   .   .   .   .   .   .   .   AN3   340   .   HD2#   parsed_2rlf   1   
          4   1   1   .   .   .   .   .   .   .   .   RI4   499   .   HE#    parsed_2rlf   1   
          4   1   2   .   .   .   .   .   .   .   .   AN4   440   .   HD2#   parsed_2rlf   1   
          5   1   1   .   .   .   .   .   .   .   .   RI1   199   .   HA#    parsed_2rlf   1   
          5   1   2   .   .   .   .   .   .   .   .   AN1   140   .   HD2#   parsed_2rlf   1   
          6   1   1   .   .   .   .   .   .   .   .   RI2   299   .   HA#    parsed_2rlf   1   
          6   1   2   .   .   .   .   .   .   .   .   AN2   240   .   HD2#   parsed_2rlf   1   
          7   1   1   .   .   .   .   .   .   .   .   RI3   399   .   HA#    parsed_2rlf   1   
          7   1   2   .   .   .   .   .   .   .   .   AN3   340   .   HD2#   parsed_2rlf   1   
          8   1   1   .   .   .   .   .   .   .   .   RI4   499   .   HA#    parsed_2rlf   1   
          8   1   2   .   .   .   .   .   .   .   .   AN4   440   .   HD2#   parsed_2rlf   1   
          9   1   1   .   .   .   .   .   .   .   .   RI1   199   .   HA#    parsed_2rlf   1   
          9   1   2   .   .   .   .   .   .   .   .   AN2   245   .   HN     parsed_2rlf   1   
         10   1   1   .   .   .   .   .   .   .   .   RI2   299   .   HA#    parsed_2rlf   1   
         10   1   2   .   .   .   .   .   .   .   .   AN3   345   .   HN     parsed_2rlf   1   
         11   1   1   .   .   .   .   .   .   .   .   RI3   399   .   HA#    parsed_2rlf   1   
         11   1   2   .   .   .   .   .   .   .   .   AN4   445   .   HN     parsed_2rlf   1   
         12   1   1   .   .   .   .   .   .   .   .   RI4   499   .   HA#    parsed_2rlf   1   
         12   1   2   .   .   .   .   .   .   .   .   AN1   145   .   HN     parsed_2rlf   1   
         13   1   1   .   .   .   .   .   .   .   .   RI1   199   .   HE#    parsed_2rlf   1   
         13   1   2   .   .   .   .   .   .   .   .   AN1   143   .   HN     parsed_2rlf   1   
         14   1   1   .   .   .   .   .   .   .   .   RI2   299   .   HE#    parsed_2rlf   1   
         14   1   2   .   .   .   .   .   .   .   .   AN2   243   .   HN     parsed_2rlf   1   
         15   1   1   .   .   .   .   .   .   .   .   RI3   399   .   HE#    parsed_2rlf   1   
         15   1   2   .   .   .   .   .   .   .   .   AN3   343   .   HN     parsed_2rlf   1   
         16   1   1   .   .   .   .   .   .   .   .   RI4   499   .   HE#    parsed_2rlf   1   
         16   1   2   .   .   .   .   .   .   .   .   AN4   443   .   HN     parsed_2rlf   1   
         17   1   1   .   .   .   .   .   .   .   .   RI1   199   .   HE#    parsed_2rlf   1   
         17   1   2   .   .   .   .   .   .   .   .   AN2   242   .   HG2#   parsed_2rlf   1   
         18   1   1   .   .   .   .   .   .   .   .   RI2   299   .   HE#    parsed_2rlf   1   
         18   1   2   .   .   .   .   .   .   .   .   AN3   342   .   HG2#   parsed_2rlf   1   
         19   1   1   .   .   .   .   .   .   .   .   RI3   399   .   HE#    parsed_2rlf   1   
         19   1   2   .   .   .   .   .   .   .   .   AN4   442   .   HG2#   parsed_2rlf   1   
         20   1   1   .   .   .   .   .   .   .   .   RI4   499   .   HE#    parsed_2rlf   1   
         20   1   2   .   .   .   .   .   .   .   .   AN1   142   .   HG2#   parsed_2rlf   1   
         21   1   1   .   .   .   .   .   .   .   .   RI1   199   .   HA#    parsed_2rlf   1   
         21   1   2   .   .   .   .   .   .   .   .   AN2   242   .   HG2#   parsed_2rlf   1   
         22   1   1   .   .   .   .   .   .   .   .   RI2   299   .   HA#    parsed_2rlf   1   
         22   1   2   .   .   .   .   .   .   .   .   AN3   342   .   HG2#   parsed_2rlf   1   
         23   1   1   .   .   .   .   .   .   .   .   RI3   399   .   HA#    parsed_2rlf   1   
         23   1   2   .   .   .   .   .   .   .   .   AN4   442   .   HG2#   parsed_2rlf   1   
         24   1   1   .   .   .   .   .   .   .   .   RI4   499   .   HA#    parsed_2rlf   1   
         24   1   2   .   .   .   .   .   .   .   .   AN1   142   .   HG2#   parsed_2rlf   1   
         25   1   1   .   .   .   .   .   .   .   .   RI1   199   .   HF#    parsed_2rlf   1   
         25   1   2   .   .   .   .   .   .   .   .   AN2   242   .   HG2#   parsed_2rlf   1   
         26   1   1   .   .   .   .   .   .   .   .   RI2   299   .   HF#    parsed_2rlf   1   
         26   1   2   .   .   .   .   .   .   .   .   AN3   342   .   HG2#   parsed_2rlf   1   
         27   1   1   .   .   .   .   .   .   .   .   RI3   399   .   HF#    parsed_2rlf   1   
         27   1   2   .   .   .   .   .   .   .   .   AN4   442   .   HG2#   parsed_2rlf   1   
         28   1   1   .   .   .   .   .   .   .   .   RI4   499   .   HF#    parsed_2rlf   1   
         28   1   2   .   .   .   .   .   .   .   .   AN1   142   .   HG2#   parsed_2rlf   1   
         29   1   1   .   .   .   .   .   .   .   .   AN1   142   .   HD1#   parsed_2rlf   1   
         29   1   2   .   .   .   .   .   .   .   .   AN4   440   .   HD1#   parsed_2rlf   1   
         30   1   1   .   .   .   .   .   .   .   .   AN4   442   .   HD1#   parsed_2rlf   1   
         30   1   2   .   .   .   .   .   .   .   .   AN3   340   .   HD1#   parsed_2rlf   1   
         31   1   1   .   .   .   .   .   .   .   .   AN3   342   .   HD1#   parsed_2rlf   1   
         31   1   2   .   .   .   .   .   .   .   .   AN2   240   .   HD1#   parsed_2rlf   1   
         32   1   1   .   .   .   .   .   .   .   .   AN2   242   .   HD1#   parsed_2rlf   1   
         32   1   2   .   .   .   .   .   .   .   .   AN1   140   .   HD1#   parsed_2rlf   1   
         33   1   1   .   .   .   .   .   .   .   .   AN1   141   .   HE1    parsed_2rlf   1   
         33   1   2   .   .   .   .   .   .   .   .   AN4   444   .   HB#    parsed_2rlf   1   
         34   1   1   .   .   .   .   .   .   .   .   AN4   441   .   HE1    parsed_2rlf   1   
         34   1   2   .   .   .   .   .   .   .   .   AN3   344   .   HB#    parsed_2rlf   1   
         35   1   1   .   .   .   .   .   .   .   .   AN3   341   .   HE1    parsed_2rlf   1   
         35   1   2   .   .   .   .   .   .   .   .   AN2   244   .   HB#    parsed_2rlf   1   
         36   1   1   .   .   .   .   .   .   .   .   AN2   241   .   HE1    parsed_2rlf   1   
         36   1   2   .   .   .   .   .   .   .   .   AN1   144   .   HB#    parsed_2rlf   1   
         37   1   1   .   .   .   .   .   .   .   .   AN1   126   .   HD1#   parsed_2rlf   1   
         37   1   2   .   .   .   .   .   .   .   .   AN2   227   .   HB     parsed_2rlf   1   
         38   1   1   .   .   .   .   .   .   .   .   AN2   226   .   HD1#   parsed_2rlf   1   
         38   1   2   .   .   .   .   .   .   .   .   AN3   327   .   HB     parsed_2rlf   1   
         39   1   1   .   .   .   .   .   .   .   .   AN3   326   .   HD1#   parsed_2rlf   1   
         39   1   2   .   .   .   .   .   .   .   .   AN4   427   .   HB     parsed_2rlf   1   
         40   1   1   .   .   .   .   .   .   .   .   AN4   426   .   HD1#   parsed_2rlf   1   
         40   1   2   .   .   .   .   .   .   .   .   AN1   127   .   HB     parsed_2rlf   1   
         41   1   1   .   .   .   .   .   .   .   .   AN1   126   .   HD1#   parsed_2rlf   1   
         41   1   2   .   .   .   .   .   .   .   .   AN2   231   .   HB#    parsed_2rlf   1   
         42   1   1   .   .   .   .   .   .   .   .   AN2   226   .   HD1#   parsed_2rlf   1   
         42   1   2   .   .   .   .   .   .   .   .   AN3   331   .   HB#    parsed_2rlf   1   
         43   1   1   .   .   .   .   .   .   .   .   AN3   326   .   HD1#   parsed_2rlf   1   
         43   1   2   .   .   .   .   .   .   .   .   AN4   431   .   HB#    parsed_2rlf   1   
         44   1   1   .   .   .   .   .   .   .   .   AN4   426   .   HD1#   parsed_2rlf   1   
         44   1   2   .   .   .   .   .   .   .   .   AN1   131   .   HB#    parsed_2rlf   1   
         45   1   1   .   .   .   .   .   .   .   .   AN1   126   .   HD2#   parsed_2rlf   1   
         45   1   2   .   .   .   .   .   .   .   .   AN2   228   .   HN     parsed_2rlf   1   
         46   1   1   .   .   .   .   .   .   .   .   AN2   226   .   HD2#   parsed_2rlf   1   
         46   1   2   .   .   .   .   .   .   .   .   AN3   328   .   HN     parsed_2rlf   1   
         47   1   1   .   .   .   .   .   .   .   .   AN3   326   .   HD2#   parsed_2rlf   1   
         47   1   2   .   .   .   .   .   .   .   .   AN4   428   .   HN     parsed_2rlf   1   
         48   1   1   .   .   .   .   .   .   .   .   AN4   426   .   HD2#   parsed_2rlf   1   
         48   1   2   .   .   .   .   .   .   .   .   AN1   128   .   HN     parsed_2rlf   1   
         49   1   1   .   .   .   .   .   .   .   .   AN1   127   .   HG1#   parsed_2rlf   1   
         49   1   2   .   .   .   .   .   .   .   .   AN4   426   .   HB#    parsed_2rlf   1   
         50   1   1   .   .   .   .   .   .   .   .   AN2   227   .   HG1#   parsed_2rlf   1   
         50   1   2   .   .   .   .   .   .   .   .   AN1   126   .   HB#    parsed_2rlf   1   
         51   1   1   .   .   .   .   .   .   .   .   AN3   327   .   HG1#   parsed_2rlf   1   
         51   1   2   .   .   .   .   .   .   .   .   AN2   226   .   HB#    parsed_2rlf   1   
         52   1   1   .   .   .   .   .   .   .   .   AN4   427   .   HG1#   parsed_2rlf   1   
         52   1   2   .   .   .   .   .   .   .   .   AN3   326   .   HB#    parsed_2rlf   1   
         53   1   1   .   .   .   .   .   .   .   .   AN1   130   .   HN     parsed_2rlf   1   
         53   1   2   .   .   .   .   .   .   .   .   AN2   231   .   HB#    parsed_2rlf   1   
         54   1   1   .   .   .   .   .   .   .   .   AN2   230   .   HN     parsed_2rlf   1   
         54   1   2   .   .   .   .   .   .   .   .   AN3   331   .   HB#    parsed_2rlf   1   
         55   1   1   .   .   .   .   .   .   .   .   AN3   330   .   HN     parsed_2rlf   1   
         55   1   2   .   .   .   .   .   .   .   .   AN4   431   .   HB#    parsed_2rlf   1   
         56   1   1   .   .   .   .   .   .   .   .   AN4   430   .   HN     parsed_2rlf   1   
         56   1   2   .   .   .   .   .   .   .   .   AN1   131   .   HB#    parsed_2rlf   1   
         57   1   1   .   .   .   .   .   .   .   .   AN1   138   .   HD2#   parsed_2rlf   1   
         57   1   2   .   .   .   .   .   .   .   .   AN4   436   .   HD1#   parsed_2rlf   1   
         58   1   1   .   .   .   .   .   .   .   .   AN2   238   .   HD2#   parsed_2rlf   1   
         58   1   2   .   .   .   .   .   .   .   .   AN1   136   .   HD1#   parsed_2rlf   1   
         59   1   1   .   .   .   .   .   .   .   .   AN3   338   .   HD2#   parsed_2rlf   1   
         59   1   2   .   .   .   .   .   .   .   .   AN2   236   .   HD1#   parsed_2rlf   1   
         60   1   1   .   .   .   .   .   .   .   .   AN4   438   .   HD2#   parsed_2rlf   1   
         60   1   2   .   .   .   .   .   .   .   .   AN3   336   .   HD1#   parsed_2rlf   1   
         61   1   1   .   .   .   .   .   .   .   .   AN1   138   .   HD1#   parsed_2rlf   1   
         61   1   2   .   .   .   .   .   .   .   .   AN4   437   .   HN     parsed_2rlf   1   
         62   1   1   .   .   .   .   .   .   .   .   AN2   238   .   HD1#   parsed_2rlf   1   
         62   1   2   .   .   .   .   .   .   .   .   AN1   137   .   HN     parsed_2rlf   1   
         63   1   1   .   .   .   .   .   .   .   .   AN3   338   .   HD1#   parsed_2rlf   1   
         63   1   2   .   .   .   .   .   .   .   .   AN2   237   .   HN     parsed_2rlf   1   
         64   1   1   .   .   .   .   .   .   .   .   AN4   438   .   HD1#   parsed_2rlf   1   
         64   1   2   .   .   .   .   .   .   .   .   AN3   337   .   HN     parsed_2rlf   1   
         65   1   1   .   .   .   .   .   .   .   .   AN1   138   .   HD2#   parsed_2rlf   1   
         65   1   2   .   .   .   .   .   .   .   .   AN4   437   .   HN     parsed_2rlf   1   
         66   1   1   .   .   .   .   .   .   .   .   AN2   238   .   HD2#   parsed_2rlf   1   
         66   1   2   .   .   .   .   .   .   .   .   AN1   137   .   HN     parsed_2rlf   1   
         67   1   1   .   .   .   .   .   .   .   .   AN3   338   .   HD2#   parsed_2rlf   1   
         67   1   2   .   .   .   .   .   .   .   .   AN2   237   .   HN     parsed_2rlf   1   
         68   1   1   .   .   .   .   .   .   .   .   AN4   438   .   HD2#   parsed_2rlf   1   
         68   1   2   .   .   .   .   .   .   .   .   AN3   337   .   HN     parsed_2rlf   1   
         69   1   1   .   .   .   .   .   .   .   .   AN1   138   .   HD1#   parsed_2rlf   1   
         69   1   2   .   .   .   .   .   .   .   .   AN4   437   .   HD2    parsed_2rlf   1   
         70   1   1   .   .   .   .   .   .   .   .   AN2   238   .   HD1#   parsed_2rlf   1   
         70   1   2   .   .   .   .   .   .   .   .   AN1   137   .   HD2    parsed_2rlf   1   
         71   1   1   .   .   .   .   .   .   .   .   AN3   338   .   HD1#   parsed_2rlf   1   
         71   1   2   .   .   .   .   .   .   .   .   AN2   237   .   HD2    parsed_2rlf   1   
         72   1   1   .   .   .   .   .   .   .   .   AN4   438   .   HD1#   parsed_2rlf   1   
         72   1   2   .   .   .   .   .   .   .   .   AN3   337   .   HD2    parsed_2rlf   1   
         73   1   1   .   .   .   .   .   .   .   .   AN1   141   .   HE1    parsed_2rlf   1   
         73   1   2   .   .   .   .   .   .   .   .   AN4   440   .   HD#    parsed_2rlf   1   
         74   1   1   .   .   .   .   .   .   .   .   AN4   441   .   HE1    parsed_2rlf   1   
         74   1   2   .   .   .   .   .   .   .   .   AN3   340   .   HD#    parsed_2rlf   1   
         75   1   1   .   .   .   .   .   .   .   .   AN3   341   .   HE1    parsed_2rlf   1   
         75   1   2   .   .   .   .   .   .   .   .   AN2   240   .   HD#    parsed_2rlf   1   
         76   1   1   .   .   .   .   .   .   .   .   AN2   241   .   HE1    parsed_2rlf   1   
         76   1   2   .   .   .   .   .   .   .   .   AN1   140   .   HD#    parsed_2rlf   1   
         77   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HG2#   parsed_2rlf   1   
         77   1   2   .   .   .   .   .   .   .   .   AN1   155   .   HD1    parsed_2rlf   1   
         78   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HG2#   parsed_2rlf   1   
         78   1   2   .   .   .   .   .   .   .   .   AN2   255   .   HD1    parsed_2rlf   1   
         79   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HG2#   parsed_2rlf   1   
         79   1   2   .   .   .   .   .   .   .   .   AN3   355   .   HD1    parsed_2rlf   1   
         80   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HG2#   parsed_2rlf   1   
         80   1   2   .   .   .   .   .   .   .   .   AN4   455   .   HD1    parsed_2rlf   1   
         81   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HG2#   parsed_2rlf   1   
         81   1   2   .   .   .   .   .   .   .   .   AN1   155   .   HE1    parsed_2rlf   1   
         82   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HG2#   parsed_2rlf   1   
         82   1   2   .   .   .   .   .   .   .   .   AN2   255   .   HE1    parsed_2rlf   1   
         83   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HG2#   parsed_2rlf   1   
         83   1   2   .   .   .   .   .   .   .   .   AN3   355   .   HE1    parsed_2rlf   1   
         84   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HG2#   parsed_2rlf   1   
         84   1   2   .   .   .   .   .   .   .   .   AN4   455   .   HE1    parsed_2rlf   1   
         85   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HG2#   parsed_2rlf   1   
         85   1   2   .   .   .   .   .   .   .   .   AN1   155   .   HD2    parsed_2rlf   1   
         86   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HG2#   parsed_2rlf   1   
         86   1   2   .   .   .   .   .   .   .   .   AN2   255   .   HD2    parsed_2rlf   1   
         87   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HG2#   parsed_2rlf   1   
         87   1   2   .   .   .   .   .   .   .   .   AN3   355   .   HD2    parsed_2rlf   1   
         88   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HG2#   parsed_2rlf   1   
         88   1   2   .   .   .   .   .   .   .   .   AN4   455   .   HD2    parsed_2rlf   1   
         89   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HG2#   parsed_2rlf   1   
         89   1   2   .   .   .   .   .   .   .   .   AN1   155   .   HE2    parsed_2rlf   1   
         90   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HG2#   parsed_2rlf   1   
         90   1   2   .   .   .   .   .   .   .   .   AN2   255   .   HE2    parsed_2rlf   1   
         91   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HG2#   parsed_2rlf   1   
         91   1   2   .   .   .   .   .   .   .   .   AN3   355   .   HE2    parsed_2rlf   1   
         92   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HG2#   parsed_2rlf   1   
         92   1   2   .   .   .   .   .   .   .   .   AN4   455   .   HE2    parsed_2rlf   1   
         93   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HG2#   parsed_2rlf   1   
         93   1   2   .   .   .   .   .   .   .   .   AN1   154   .   HD#    parsed_2rlf   1   
         94   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HG2#   parsed_2rlf   1   
         94   1   2   .   .   .   .   .   .   .   .   AN2   254   .   HD#    parsed_2rlf   1   
         95   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HG2#   parsed_2rlf   1   
         95   1   2   .   .   .   .   .   .   .   .   AN3   354   .   HD#    parsed_2rlf   1   
         96   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HG2#   parsed_2rlf   1   
         96   1   2   .   .   .   .   .   .   .   .   AN4   454   .   HD#    parsed_2rlf   1   
         97   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HD1#   parsed_2rlf   1   
         97   1   2   .   .   .   .   .   .   .   .   AN4   454   .   HA     parsed_2rlf   1   
         98   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HD1#   parsed_2rlf   1   
         98   1   2   .   .   .   .   .   .   .   .   AN1   154   .   HA     parsed_2rlf   1   
         99   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HD1#   parsed_2rlf   1   
         99   1   2   .   .   .   .   .   .   .   .   AN2   254   .   HA     parsed_2rlf   1   
        100   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HD1#   parsed_2rlf   1   
        100   1   2   .   .   .   .   .   .   .   .   AN3   354   .   HA     parsed_2rlf   1   
        101   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HG2#   parsed_2rlf   1   
        101   1   2   .   .   .   .   .   .   .   .   AN4   458   .   HA#    parsed_2rlf   1   
        102   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HG2#   parsed_2rlf   1   
        102   1   2   .   .   .   .   .   .   .   .   AN1   158   .   HA#    parsed_2rlf   1   
        103   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HG2#   parsed_2rlf   1   
        103   1   2   .   .   .   .   .   .   .   .   AN2   258   .   HA#    parsed_2rlf   1   
        104   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HG2#   parsed_2rlf   1   
        104   1   2   .   .   .   .   .   .   .   .   AN3   358   .   HA#    parsed_2rlf   1   
        105   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HD1#   parsed_2rlf   1   
        105   1   2   .   .   .   .   .   .   .   .   AN4   457   .   HB#    parsed_2rlf   1   
        106   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HD1#   parsed_2rlf   1   
        106   1   2   .   .   .   .   .   .   .   .   AN1   157   .   HB#    parsed_2rlf   1   
        107   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HD1#   parsed_2rlf   1   
        107   1   2   .   .   .   .   .   .   .   .   AN2   257   .   HB#    parsed_2rlf   1   
        108   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HD1#   parsed_2rlf   1   
        108   1   2   .   .   .   .   .   .   .   .   AN3   357   .   HB#    parsed_2rlf   1   
        109   1   1   .   .   .   .   .   .   .   .   AN1   151   .   HN     parsed_2rlf   1   
        109   1   2   .   .   .   .   .   .   .   .   AN4   458   .   HA#    parsed_2rlf   1   
        110   1   1   .   .   .   .   .   .   .   .   AN2   251   .   HN     parsed_2rlf   1   
        110   1   2   .   .   .   .   .   .   .   .   AN1   158   .   HA#    parsed_2rlf   1   
        111   1   1   .   .   .   .   .   .   .   .   AN3   351   .   HN     parsed_2rlf   1   
        111   1   2   .   .   .   .   .   .   .   .   AN2   258   .   HA#    parsed_2rlf   1   
        112   1   1   .   .   .   .   .   .   .   .   AN4   451   .   HN     parsed_2rlf   1   
        112   1   2   .   .   .   .   .   .   .   .   AN3   358   .   HA#    parsed_2rlf   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   .   .   .   .   .   2.00   1.40   2.60   parsed_2rlf   1   
          2   1   .   .   .   .   .   2.00   1.40   2.60   parsed_2rlf   1   
          3   1   .   .   .   .   .   2.00   1.40   2.60   parsed_2rlf   1   
          4   1   .   .   .   .   .   2.00   1.40   2.60   parsed_2rlf   1   
          5   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
          6   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
          7   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
          8   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
          9   1   .   .   .   .   .   3.40   2.80   4.00   parsed_2rlf   1   
         10   1   .   .   .   .   .   3.40   2.80   4.00   parsed_2rlf   1   
         11   1   .   .   .   .   .   3.40   2.80   4.00   parsed_2rlf   1   
         12   1   .   .   .   .   .   3.40   2.80   4.00   parsed_2rlf   1   
         13   1   .   .   .   .   .   5.20   4.60   5.80   parsed_2rlf   1   
         14   1   .   .   .   .   .   5.20   4.60   5.80   parsed_2rlf   1   
         15   1   .   .   .   .   .   5.20   4.60   5.80   parsed_2rlf   1   
         16   1   .   .   .   .   .   5.20   4.60   5.80   parsed_2rlf   1   
         17   1   .   .   .   .   .   3.50   2.90   4.10   parsed_2rlf   1   
         18   1   .   .   .   .   .   3.50   2.90   4.10   parsed_2rlf   1   
         19   1   .   .   .   .   .   3.50   2.90   4.10   parsed_2rlf   1   
         20   1   .   .   .   .   .   3.50   2.90   4.10   parsed_2rlf   1   
         21   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
         22   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
         23   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
         24   1   .   .   .   .   .   2.50   1.90   3.10   parsed_2rlf   1   
         25   1   .   .   .   .   .   3.90   3.30   4.50   parsed_2rlf   1   
         26   1   .   .   .   .   .   3.90   3.30   4.50   parsed_2rlf   1   
         27   1   .   .   .   .   .   3.90   3.30   4.50   parsed_2rlf   1   
         28   1   .   .   .   .   .   3.90   3.30   4.50   parsed_2rlf   1   
         29   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         30   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         31   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         32   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         33   1   .   .   .   .   .   3.20   2.70   3.70   parsed_2rlf   1   
         34   1   .   .   .   .   .   3.20   2.70   3.70   parsed_2rlf   1   
         35   1   .   .   .   .   .   3.20   2.70   3.70   parsed_2rlf   1   
         36   1   .   .   .   .   .   3.20   2.70   3.70   parsed_2rlf   1   
         37   1   .   .   .   .   .   4.80   4.30   5.30   parsed_2rlf   1   
         38   1   .   .   .   .   .   4.80   4.30   5.30   parsed_2rlf   1   
         39   1   .   .   .   .   .   4.80   4.30   5.30   parsed_2rlf   1   
         40   1   .   .   .   .   .   4.80   4.30   5.30   parsed_2rlf   1   
         41   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         42   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         43   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         44   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         45   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         46   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         47   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         48   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         49   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         50   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         51   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         52   1   .   .   .   .   .   2.50   2.00   3.00   parsed_2rlf   1   
         53   1   .   .   .   .   .   3.80   3.30   4.30   parsed_2rlf   1   
         54   1   .   .   .   .   .   3.80   3.30   4.30   parsed_2rlf   1   
         55   1   .   .   .   .   .   3.80   3.30   4.30   parsed_2rlf   1   
         56   1   .   .   .   .   .   3.80   3.30   4.30   parsed_2rlf   1   
         57   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         58   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         59   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         60   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         61   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         62   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         63   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         64   1   .   .   .   .   .   2.60   2.10   3.10   parsed_2rlf   1   
         65   1   .   .   .   .   .   3.60   3.10   4.10   parsed_2rlf   1   
         66   1   .   .   .   .   .   3.60   3.10   4.10   parsed_2rlf   1   
         67   1   .   .   .   .   .   3.60   3.10   4.10   parsed_2rlf   1   
         68   1   .   .   .   .   .   3.60   3.10   4.10   parsed_2rlf   1   
         69   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         70   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         71   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         72   1   .   .   .   .   .   2.70   2.20   3.20   parsed_2rlf   1   
         73   1   .   .   .   .   .   2.90   2.40   3.40   parsed_2rlf   1   
         74   1   .   .   .   .   .   2.90   2.40   3.40   parsed_2rlf   1   
         75   1   .   .   .   .   .   2.90   2.40   3.40   parsed_2rlf   1   
         76   1   .   .   .   .   .   2.90   2.40   3.40   parsed_2rlf   1   
         77   1   .   .   .   .   .   3.30   2.30   4.30   parsed_2rlf   1   
         78   1   .   .   .   .   .   3.30   2.30   4.30   parsed_2rlf   1   
         79   1   .   .   .   .   .   3.30   2.30   4.30   parsed_2rlf   1   
         80   1   .   .   .   .   .   3.30   2.30   4.30   parsed_2rlf   1   
         81   1   .   .   .   .   .   3.70   2.70   4.70   parsed_2rlf   1   
         82   1   .   .   .   .   .   3.70   2.70   4.70   parsed_2rlf   1   
         83   1   .   .   .   .   .   3.70   2.70   4.70   parsed_2rlf   1   
         84   1   .   .   .   .   .   3.70   2.70   4.70   parsed_2rlf   1   
         85   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         86   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         87   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         88   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         89   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         90   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         91   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         92   1   .   .   .   .   .   4.00   3.00   5.00   parsed_2rlf   1   
         93   1   .   .   .   .   .   3.50   2.50   4.50   parsed_2rlf   1   
         94   1   .   .   .   .   .   3.50   2.50   4.50   parsed_2rlf   1   
         95   1   .   .   .   .   .   3.50   2.50   4.50   parsed_2rlf   1   
         96   1   .   .   .   .   .   3.50   2.50   4.50   parsed_2rlf   1   
         97   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   1   
         98   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   1   
         99   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   1   
        100   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   1   
        101   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        102   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        103   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        104   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        105   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        106   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        107   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        108   1   .   .   .   .   .   2.20   1.80   2.60   parsed_2rlf   1   
        109   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   1   
        110   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   1   
        111   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   1   
        112   1   .   .   .   .   .   2.50   2.10   2.90   parsed_2rlf   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   
;
-- intermolecular NOEs
-- rimantadine
;
    1     1    2    16   parsed_2rlf   1   
         2    C-filt                  3   102    3   109   parsed_2rlf   1   
         3    cnoe                    7   102    7   107   parsed_2rlf   1   
         4    nnoe                   11   100   11   105   parsed_2rlf   1   
         5    perD                   15   100   15   105   parsed_2rlf   1   
         6    cnoe                   19   102   19   107   parsed_2rlf   1   
         7    cnoe                   23   102   23   107   parsed_2rlf   1   
         8    cnoe                   27   102   27   107   parsed_2rlf   1   
         9   "-- end rimantadine"    30   102   31    20   parsed_2rlf   1   
        10   "-- c-term"             79   101   80    11   parsed_2rlf   1   
    stop_

save_





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