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
35250 1lae cing 2-parsed STAR distance NOE ambi 159


data_1lae_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1lae 
    _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_1lae   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1lae 
    _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   1lae   "Master copy"    parsed_1lae   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1lae 
    _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   1lae.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS      2    distance                  NOE                 ambi               159   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi                 0   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS      4    distance                  NOE                 ambi                 0   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS      5    distance                  NOE                 ambi                 0   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS      6    distance                 "hydrogen bond"      simple               0   parsed_1lae   1   
        1   1lae.mr   .   .    n/a            7    comment                  "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS      8   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .    n/a            9    comment                  "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS     10   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .    n/a           11    comment                  "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .    XPLOR/CNS     12   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .    n/a           13    comment                  "Not applicable"    "Not applicable"      0   parsed_1lae   1   
        1   1lae.mr   .   .   "MR format"    14   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1lae   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1lae 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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_1lae   1   
          2   1   .   .   .   parsed_1lae   1   
          3   1   .   .   .   parsed_1lae   1   
          4   1   .   .   .   parsed_1lae   1   
          5   1   .   .   .   parsed_1lae   1   
          6   1   .   .   .   parsed_1lae   1   
          7   1   .   .   .   parsed_1lae   1   
          8   1   .   .   .   parsed_1lae   1   
          9   1   .   .   .   parsed_1lae   1   
         10   1   .   .   .   parsed_1lae   1   
         11   1   .   .   .   parsed_1lae   1   
         12   1   .   .   .   parsed_1lae   1   
         13   1   .   .   .   parsed_1lae   1   
         14   1   .   .   .   parsed_1lae   1   
         15   1   .   .   .   parsed_1lae   1   
         16   1   .   .   .   parsed_1lae   1   
         17   1   .   .   .   parsed_1lae   1   
         18   1   .   .   .   parsed_1lae   1   
         19   1   .   .   .   parsed_1lae   1   
         20   1   .   .   .   parsed_1lae   1   
         21   1   .   .   .   parsed_1lae   1   
         22   1   .   .   .   parsed_1lae   1   
         23   1   .   .   .   parsed_1lae   1   
         24   1   .   .   .   parsed_1lae   1   
         25   1   .   .   .   parsed_1lae   1   
         26   1   .   .   .   parsed_1lae   1   
         27   1   .   .   .   parsed_1lae   1   
         28   1   .   .   .   parsed_1lae   1   
         29   1   .   .   .   parsed_1lae   1   
         30   1   .   .   .   parsed_1lae   1   
         31   1   .   .   .   parsed_1lae   1   
         32   1   .   .   .   parsed_1lae   1   
         33   1   .   .   .   parsed_1lae   1   
         34   1   .   .   .   parsed_1lae   1   
         35   1   .   .   .   parsed_1lae   1   
         36   1   .   .   .   parsed_1lae   1   
         37   1   .   .   .   parsed_1lae   1   
         38   1   .   .   .   parsed_1lae   1   
         39   1   .   .   .   parsed_1lae   1   
         40   1   .   .   .   parsed_1lae   1   
         41   1   .   .   .   parsed_1lae   1   
         42   1   .   .   .   parsed_1lae   1   
         43   1   .   .   .   parsed_1lae   1   
         44   1   .   .   .   parsed_1lae   1   
         45   1   .   .   .   parsed_1lae   1   
         46   1   .   .   .   parsed_1lae   1   
         47   1   .   .   .   parsed_1lae   1   
         48   1   .   .   .   parsed_1lae   1   
         49   1   .   .   .   parsed_1lae   1   
         50   1   .   .   .   parsed_1lae   1   
         51   1   .   .   .   parsed_1lae   1   
         52   1   .   .   .   parsed_1lae   1   
         53   1   .   .   .   parsed_1lae   1   
         54   1   .   .   .   parsed_1lae   1   
         55   1   .   .   .   parsed_1lae   1   
         56   1   .   .   .   parsed_1lae   1   
         57   1   .   .   .   parsed_1lae   1   
         58   1   .   .   .   parsed_1lae   1   
         59   1   .   .   .   parsed_1lae   1   
         60   1   .   .   .   parsed_1lae   1   
         61   1   .   .   .   parsed_1lae   1   
         62   1   .   .   .   parsed_1lae   1   
         63   1   .   .   .   parsed_1lae   1   
         64   1   .   .   .   parsed_1lae   1   
         65   1   .   .   .   parsed_1lae   1   
         66   1   .   .   .   parsed_1lae   1   
         67   1   .   .   .   parsed_1lae   1   
         68   1   .   .   .   parsed_1lae   1   
         69   1   .   .   .   parsed_1lae   1   
         70   1   .   .   .   parsed_1lae   1   
         71   1   .   .   .   parsed_1lae   1   
         72   1   .   .   .   parsed_1lae   1   
         73   1   .   .   .   parsed_1lae   1   
         74   1   .   .   .   parsed_1lae   1   
         75   1   .   .   .   parsed_1lae   1   
         76   1   .   .   .   parsed_1lae   1   
         77   1   .   .   .   parsed_1lae   1   
         78   1   .   .   .   parsed_1lae   1   
         79   1   .   .   .   parsed_1lae   1   
         80   1   .   .   .   parsed_1lae   1   
         81   1   .   .   .   parsed_1lae   1   
         82   1   .   .   .   parsed_1lae   1   
         83   1   .   .   .   parsed_1lae   1   
         84   1   .   .   .   parsed_1lae   1   
         85   1   .   .   .   parsed_1lae   1   
         86   1   .   .   .   parsed_1lae   1   
         87   1   .   .   .   parsed_1lae   1   
         88   1   .   .   .   parsed_1lae   1   
         89   1   .   .   .   parsed_1lae   1   
         90   1   .   .   .   parsed_1lae   1   
         91   1   .   .   .   parsed_1lae   1   
         92   1   .   .   .   parsed_1lae   1   
         93   1   .   .   .   parsed_1lae   1   
         94   1   .   .   .   parsed_1lae   1   
         95   1   .   .   .   parsed_1lae   1   
         96   1   .   .   .   parsed_1lae   1   
         97   1   .   .   .   parsed_1lae   1   
         98   1   .   .   .   parsed_1lae   1   
         99   1   .   .   .   parsed_1lae   1   
        100   1   .   .   .   parsed_1lae   1   
        101   1   .   .   .   parsed_1lae   1   
        102   1   .   .   .   parsed_1lae   1   
        103   1   .   .   .   parsed_1lae   1   
        104   1   .   .   .   parsed_1lae   1   
        105   1   .   .   .   parsed_1lae   1   
        106   1   .   .   .   parsed_1lae   1   
        107   1   .   .   .   parsed_1lae   1   
        108   1   .   .   .   parsed_1lae   1   
        109   1   .   .   .   parsed_1lae   1   
        110   1   .   .   .   parsed_1lae   1   
        111   1   .   .   .   parsed_1lae   1   
        112   1   .   .   .   parsed_1lae   1   
        113   1   .   .   .   parsed_1lae   1   
        114   1   .   .   .   parsed_1lae   1   
        115   1   .   .   .   parsed_1lae   1   
        116   1   .   .   .   parsed_1lae   1   
        117   1   .   .   .   parsed_1lae   1   
        118   1   .   .   .   parsed_1lae   1   
        119   1   .   .   .   parsed_1lae   1   
        120   1   .   .   .   parsed_1lae   1   
        121   1   .   .   .   parsed_1lae   1   
        122   1   .   .   .   parsed_1lae   1   
        123   1   .   .   .   parsed_1lae   1   
        124   1   .   .   .   parsed_1lae   1   
        125   1   .   .   .   parsed_1lae   1   
        126   1   .   .   .   parsed_1lae   1   
        127   1   .   .   .   parsed_1lae   1   
        128   1   .   .   .   parsed_1lae   1   
        129   1   .   .   .   parsed_1lae   1   
        130   1   .   .   .   parsed_1lae   1   
        131   1   .   .   .   parsed_1lae   1   
        132   1   .   .   .   parsed_1lae   1   
        133   1   .   .   .   parsed_1lae   1   
        134   1   .   .   .   parsed_1lae   1   
        135   1   .   .   .   parsed_1lae   1   
        136   1   .   .   .   parsed_1lae   1   
        137   1   .   .   .   parsed_1lae   1   
        138   1   .   .   .   parsed_1lae   1   
        139   1   .   .   .   parsed_1lae   1   
        140   1   .   .   .   parsed_1lae   1   
        141   1   .   .   .   parsed_1lae   1   
        142   1   .   .   .   parsed_1lae   1   
        143   1   .   .   .   parsed_1lae   1   
        144   1   .   .   .   parsed_1lae   1   
        145   1   .   .   .   parsed_1lae   1   
        146   1   .   .   .   parsed_1lae   1   
        147   1   .   .   .   parsed_1lae   1   
        148   1   .   .   .   parsed_1lae   1   
        149   1   .   .   .   parsed_1lae   1   
        150   1   .   .   .   parsed_1lae   1   
        151   1   .   .   .   parsed_1lae   1   
        152   1   .   .   .   parsed_1lae   1   
        153   1   .   .   .   parsed_1lae   1   
        154   1   .   .   .   parsed_1lae   1   
        155   1   .   .   .   parsed_1lae   1   
        156   1   .   .   .   parsed_1lae   1   
        157   1   .   .   .   parsed_1lae   1   
        158   1   .   .   .   parsed_1lae   1   
        159   1   .   .   .   parsed_1lae   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   .   .   .   .   .   .   .   .   .    1   .   H2'    parsed_1lae   1   
          1   1   2   .   .   .   .   .   .   .   .   .    1   .   H1'    parsed_1lae   1   
          2   1   1   .   .   .   .   .   .   .   .   .    1   .   H2'    parsed_1lae   1   
          2   1   2   .   .   .   .   .   .   .   .   .    1   .   H6     parsed_1lae   1   
          3   1   1   .   .   .   .   .   .   .   .   .    1   .   H5     parsed_1lae   1   
          3   1   2   .   .   .   .   .   .   .   .   .    1   .   H2'    parsed_1lae   1   
          4   1   1   .   .   .   .   .   .   .   .   .    1   .   H5'    parsed_1lae   1   
          4   1   1   .   .   .   .   .   .   .   .   .    1   .   H5''   parsed_1lae   1   
          4   1   2   .   .   .   .   .   .   .   .   .    1   .   H6     parsed_1lae   1   
          5   1   1   .   .   .   .   .   .   .   .   .    2   .   H5''   parsed_1lae   1   
          5   1   2   .   .   .   .   .   .   .   .   .    1   .   H2''   parsed_1lae   1   
          6   1   1   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
          6   1   2   .   .   .   .   .   .   .   .   .    1   .   H1'    parsed_1lae   1   
          7   1   1   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
          7   1   2   .   .   .   .   .   .   .   .   .    1   .   H2'    parsed_1lae   1   
          8   1   1   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
          8   1   2   .   .   .   .   .   .   .   .   .    1   .   H2''   parsed_1lae   1   
          9   1   1   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
          9   1   2   .   .   .   .   .   .   .   .   .    1   .   H6     parsed_1lae   1   
         10   1   1   .   .   .   .   .   .   .   .   .    2   .   H3'    parsed_1lae   1   
         10   1   2   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
         11   1   1   .   .   .   .   .   .   .   .   .    2   .   H4'    parsed_1lae   1   
         11   1   2   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
         12   1   1   .   .   .   .   .   .   .   .   .    2   .   H5'    parsed_1lae   1   
         12   1   2   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
         13   1   1   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
         13   1   2   .   .   .   .   .   .   .   .   .    2   .   H1'    parsed_1lae   1   
         14   1   1   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
         14   1   2   .   .   .   .   .   .   .   .   .    2   .   H5''   parsed_1lae   1   
         15   1   1   .   .   .   .   .   .   .   .   .    3   .   H5     parsed_1lae   1   
         15   1   2   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
         16   1   1   .   .   .   .   .   .   .   .   .    3   .   H5'    parsed_1lae   1   
         16   1   2   .   .   .   .   .   .   .   .   .    2   .   H2''   parsed_1lae   1   
         17   1   1   .   .   .   .   .   .   .   .   .    3   .   H6     parsed_1lae   1   
         17   1   2   .   .   .   .   .   .   .   .   .    2   .   H8     parsed_1lae   1   
         18   1   1   .   .   .   .   .   .   .   .   .    3   .   H2'    parsed_1lae   1   
         18   1   2   .   .   .   .   .   .   .   .   .    3   .   H1'    parsed_1lae   1   
         19   1   1   .   .   .   .   .   .   .   .   .    3   .   H2'    parsed_1lae   1   
         19   1   2   .   .   .   .   .   .   .   .   .    3   .   H5     parsed_1lae   1   
         20   1   1   .   .   .   .   .   .   .   .   .    3   .   H2''   parsed_1lae   1   
         20   1   2   .   .   .   .   .   .   .   .   .    3   .   H6     parsed_1lae   1   
         21   1   1   .   .   .   .   .   .   .   .   .    3   .   H4'    parsed_1lae   1   
         21   1   2   .   .   .   .   .   .   .   .   .    3   .   H2'    parsed_1lae   1   
         22   1   1   .   .   .   .   .   .   .   .   .    4   .   H5''   parsed_1lae   1   
         22   1   2   .   .   .   .   .   .   .   .   .    3   .   H2''   parsed_1lae   1   
         23   1   1   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         23   1   2   .   .   .   .   .   .   .   .   .    3   .   H1'    parsed_1lae   1   
         24   1   1   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         24   1   2   .   .   .   .   .   .   .   .   .    3   .   H2'    parsed_1lae   1   
         25   1   1   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         25   1   2   .   .   .   .   .   .   .   .   .    3   .   H2''   parsed_1lae   1   
         26   1   1   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         26   1   2   .   .   .   .   .   .   .   .   .    3   .   H3'    parsed_1lae   1   
         27   1   1   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         27   1   2   .   .   .   .   .   .   .   .   .    3   .   H6     parsed_1lae   1   
         28   1   1   .   .   .   .   .   .   .   .   .    4   .   H1'    parsed_1lae   1   
         28   1   2   .   .   .   .   .   .   .   .   .    4   .   H5'    parsed_1lae   1   
         29   1   1   .   .   .   .   .   .   .   .   .    4   .   H3'    parsed_1lae   1   
         29   1   2   .   .   .   .   .   .   .   .   .    4   .   H1'    parsed_1lae   1   
         30   1   1   .   .   .   .   .   .   .   .   .    4   .   H3'    parsed_1lae   1   
         30   1   2   .   .   .   .   .   .   .   .   .    4   .   H5'    parsed_1lae   1   
         31   1   1   .   .   .   .   .   .   .   .   .    4   .   H3'    parsed_1lae   1   
         31   1   2   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         32   1   1   .   .   .   .   .   .   .   .   .    4   .   H2'    parsed_1lae   1   
         32   1   1   .   .   .   .   .   .   .   .   .    4   .   H2''   parsed_1lae   1   
         32   1   2   .   .   .   .   .   .   .   .   .    4   .   H3'    parsed_1lae   1   
         33   1   1   .   .   .   .   .   .   .   .   .    4   .   H4'    parsed_1lae   1   
         33   1   2   .   .   .   .   .   .   .   .   .    4   .   H1'    parsed_1lae   1   
         34   1   1   .   .   .   .   .   .   .   .   .    4   .   H4'    parsed_1lae   1   
         34   1   2   .   .   .   .   .   .   .   .   .    4   .   H3'    parsed_1lae   1   
         35   1   1   .   .   .   .   .   .   .   .   .    4   .   H4'    parsed_1lae   1   
         35   1   2   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         36   1   1   .   .   .   .   .   .   .   .   .    4   .   H5''   parsed_1lae   1   
         36   1   2   .   .   .   .   .   .   .   .   .    4   .   H3'    parsed_1lae   1   
         37   1   1   .   .   .   .   .   .   .   .   .    4   .   H5''   parsed_1lae   1   
         37   1   2   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         38   1   1   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         38   1   2   .   .   .   .   .   .   .   .   .    4   .   H1'    parsed_1lae   1   
         39   1   1   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         39   1   2   .   .   .   .   .   .   .   .   .    4   .   H5'    parsed_1lae   1   
         40   1   1   .   .   .   .   .   .   .   .   .    4   .   H2'    parsed_1lae   1   
         40   1   1   .   .   .   .   .   .   .   .   .    4   .   H2''   parsed_1lae   1   
         40   1   2   .   .   .   .   .   .   .   .   .    4   .   H1'    parsed_1lae   1   
         41   1   1   .   .   .   .   .   .   .   .   .    4   .   H2'    parsed_1lae   1   
         41   1   1   .   .   .   .   .   .   .   .   .    4   .   H2''   parsed_1lae   1   
         41   1   2   .   .   .   .   .   .   .   .   .    4   .   H5''   parsed_1lae   1   
         42   1   1   .   .   .   .   .   .   .   .   .    4   .   H2'    parsed_1lae   1   
         42   1   1   .   .   .   .   .   .   .   .   .    4   .   H2''   parsed_1lae   1   
         42   1   2   .   .   .   .   .   .   .   .   .    4   .   H8     parsed_1lae   1   
         43   1   1   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lae   1   
         43   1   2   .   .   .   .   .   .   .   .   .    4   .   H1'    parsed_1lae   1   
         44   1   1   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lae   1   
         44   1   2   .   .   .   .   .   .   .   .   .    4   .   H3'    parsed_1lae   1   
         45   1   1   .   .   .   .   .   .   .   .   .    5   .   H3'    parsed_1lae   1   
         45   1   2   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
         46   1   1   .   .   .   .   .   .   .   .   .    5   .   H3'    parsed_1lae   1   
         46   1   2   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lae   1   
         47   1   1   .   .   .   .   .   .   .   .   .    5   .   H4'    parsed_1lae   1   
         47   1   2   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
         48   1   1   .   .   .   .   .   .   .   .   .    5   .   H4'    parsed_1lae   1   
         48   1   2   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lae   1   
         49   1   1   .   .   .   .   .   .   .   .   .    5   .   H5''   parsed_1lae   1   
         49   1   2   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lae   1   
         50   1   1   .   .   .   .   .   .   .   .   .    5   .   H2'    parsed_1lae   1   
         50   1   1   .   .   .   .   .   .   .   .   .    5   .   H2''   parsed_1lae   1   
         50   1   2   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
         51   1   1   .   .   .   .   .   .   .   .   .    5   .   H4'    parsed_1lae   1   
         51   1   2   .   .   .   .   .   .   .   .   .    6   .   H6     parsed_1lae   1   
         52   1   1   .   .   .   .   .   .   .   .   .    5   .   H4'    parsed_1lae   1   
         52   1   2   .   .   .   .   .   .   .   .   .    6   .   H5#    parsed_1lae   1   
         53   1   1   .   .   .   .   .   .   .   .   .    5   .   H5'    parsed_1lae   1   
         53   1   2   .   .   .   .   .   .   .   .   .    6   .   H5#    parsed_1lae   1   
         54   1   1   .   .   .   .   .   .   .   .   .    6   .   H2'    parsed_1lae   1   
         54   1   2   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
         55   1   1   .   .   .   .   .   .   .   .   .    6   .   H1'    parsed_1lae   1   
         55   1   2   .   .   .   .   .   .   .   .   .    6   .   H4'    parsed_1lae   1   
         56   1   1   .   .   .   .   .   .   .   .   .    6   .   H2'    parsed_1lae   1   
         56   1   2   .   .   .   .   .   .   .   .   .    6   .   H1'    parsed_1lae   1   
         57   1   1   .   .   .   .   .   .   .   .   .    6   .   H2'    parsed_1lae   1   
         57   1   2   .   .   .   .   .   .   .   .   .    6   .   H4'    parsed_1lae   1   
         58   1   1   .   .   .   .   .   .   .   .   .    6   .   H2''   parsed_1lae   1   
         58   1   2   .   .   .   .   .   .   .   .   .    6   .   H1'    parsed_1lae   1   
         59   1   1   .   .   .   .   .   .   .   .   .    6   .   H3'    parsed_1lae   1   
         59   1   2   .   .   .   .   .   .   .   .   .    6   .   H1'    parsed_1lae   1   
         60   1   1   .   .   .   .   .   .   .   .   .    6   .   H3'    parsed_1lae   1   
         60   1   2   .   .   .   .   .   .   .   .   .    6   .   H2''   parsed_1lae   1   
         61   1   1   .   .   .   .   .   .   .   .   .    6   .   H3'    parsed_1lae   1   
         61   1   2   .   .   .   .   .   .   .   .   .    6   .   H4'    parsed_1lae   1   
         62   1   1   .   .   .   .   .   .   .   .   .    6   .   H5'    parsed_1lae   1   
         62   1   2   .   .   .   .   .   .   .   .   .    6   .   H6     parsed_1lae   1   
         63   1   1   .   .   .   .   .   .   .   .   .    6   .   H6     parsed_1lae   1   
         63   1   2   .   .   .   .   .   .   .   .   .    6   .   H1'    parsed_1lae   1   
         64   1   1   .   .   .   .   .   .   .   .   .    6   .   H6     parsed_1lae   1   
         64   1   2   .   .   .   .   .   .   .   .   .    6   .   H4'    parsed_1lae   1   
         65   1   1   .   .   .   .   .   .   .   .   .    6   .   H5#    parsed_1lae   1   
         65   1   2   .   .   .   .   .   .   .   .   .    6   .   H6     parsed_1lae   1   
         66   1   1   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         66   1   2   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
         67   1   1   .   .   .   .   .   .   .   .   .    7   .   H5'    parsed_1lae   1   
         67   1   2   .   .   .   .   .   .   .   .   .    6   .   H1'    parsed_1lae   1   
         68   1   1   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         68   1   2   .   .   .   .   .   .   .   .   .    6   .   H3'    parsed_1lae   1   
         69   1   1   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         69   1   2   .   .   .   .   .   .   .   .   .    6   .   H4'    parsed_1lae   1   
         70   1   1   .   .   .   .   .   .   .   .   .    7   .   H2'    parsed_1lae   1   
         70   1   2   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lae   1   
         71   1   1   .   .   .   .   .   .   .   .   .    7   .   H3'    parsed_1lae   1   
         71   1   2   .   .   .   .   .   .   .   .   .    7   .   H2'    parsed_1lae   1   
         72   1   1   .   .   .   .   .   .   .   .   .    7   .   H3'    parsed_1lae   1   
         72   1   2   .   .   .   .   .   .   .   .   .    7   .   H2''   parsed_1lae   1   
         73   1   1   .   .   .   .   .   .   .   .   .    7   .   H3'    parsed_1lae   1   
         73   1   2   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         74   1   1   .   .   .   .   .   .   .   .   .    7   .   H4'    parsed_1lae   1   
         74   1   2   .   .   .   .   .   .   .   .   .    7   .   H2'    parsed_1lae   1   
         75   1   1   .   .   .   .   .   .   .   .   .    7   .   H4'    parsed_1lae   1   
         75   1   2   .   .   .   .   .   .   .   .   .    7   .   H3'    parsed_1lae   1   
         76   1   1   .   .   .   .   .   .   .   .   .    7   .   H4'    parsed_1lae   1   
         76   1   2   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         77   1   1   .   .   .   .   .   .   .   .   .    7   .   H5''   parsed_1lae   1   
         77   1   2   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         78   1   1   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         78   1   2   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lae   1   
         79   1   1   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1lae   1   
         79   1   2   .   .   .   .   .   .   .   .   .    7   .   H6A2   parsed_1lae   1   
         80   1   1   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lae   1   
         80   1   2   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lae   1   
         81   1   1   .   .   .   .   .   .   .   .   .    8   .   H5'    parsed_1lae   1   
         81   1   2   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lae   1   
         82   1   1   .   .   .   .   .   .   .   .   .    8   .   H5'    parsed_1lae   1   
         82   1   2   .   .   .   .   .   .   .   .   .    7   .   H2''   parsed_1lae   1   
         83   1   1   .   .   .   .   .   .   .   .   .    8   .   H5#    parsed_1lae   1   
         83   1   2   .   .   .   .   .   .   .   .   .    7   .   H1'    parsed_1lae   1   
         84   1   1   .   .   .   .   .   .   .   .   .    8   .   H5#    parsed_1lae   1   
         84   1   2   .   .   .   .   .   .   .   .   .    7   .   H2'    parsed_1lae   1   
         85   1   1   .   .   .   .   .   .   .   .   .    8   .   H5#    parsed_1lae   1   
         85   1   2   .   .   .   .   .   .   .   .   .    7   .   H2''   parsed_1lae   1   
         86   1   1   .   .   .   .   .   .   .   .   .    8   .   H5#    parsed_1lae   1   
         86   1   2   .   .   .   .   .   .   .   .   .    7   .   H8     parsed_1lae   1   
         87   1   1   .   .   .   .   .   .   .   .   .    8   .   H2'    parsed_1lae   1   
         87   1   2   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1lae   1   
         88   1   1   .   .   .   .   .   .   .   .   .    8   .   H2'    parsed_1lae   1   
         88   1   2   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1lae   1   
         89   1   1   .   .   .   .   .   .   .   .   .    8   .   H2'    parsed_1lae   1   
         89   1   2   .   .   .   .   .   .   .   .   .    8   .   H5#    parsed_1lae   1   
         90   1   1   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lae   1   
         90   1   2   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1lae   1   
         91   1   1   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lae   1   
         91   1   2   .   .   .   .   .   .   .   .   .    8   .   H2'    parsed_1lae   1   
         92   1   1   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lae   1   
         92   1   2   .   .   .   .   .   .   .   .   .    8   .   H2''   parsed_1lae   1   
         93   1   1   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lae   1   
         93   1   2   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1lae   1   
         94   1   1   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1lae   1   
         94   1   2   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1lae   1   
         95   1   1   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1lae   1   
         95   1   2   .   .   .   .   .   .   .   .   .    8   .   H5'    parsed_1lae   1   
         96   1   1   .   .   .   .   .   .   .   .   .    8   .   H5#    parsed_1lae   1   
         96   1   2   .   .   .   .   .   .   .   .   .    8   .   H6     parsed_1lae   1   
         97   1   1   .   .   .   .   .   .   .   .   .    8   .   H4'    parsed_1lae   1   
         97   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
         98   1   1   .   .   .   .   .   .   .   .   .    9   .   H1'    parsed_1lae   1   
         98   1   2   .   .   .   .   .   .   .   .   .    8   .   H5'    parsed_1lae   1   
         99   1   1   .   .   .   .   .   .   .   .   .    9   .   H2'    parsed_1lae   1   
         99   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        100   1   1   .   .   .   .   .   .   .   .   .    9   .   H2''   parsed_1lae   1   
        100   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        101   1   1   .   .   .   .   .   .   .   .   .    9   .   H3'    parsed_1lae   1   
        101   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        102   1   1   .   .   .   .   .   .   .   .   .    9   .   H4'    parsed_1lae   1   
        102   1   2   .   .   .   .   .   .   .   .   .    9   .   H1'    parsed_1lae   1   
        103   1   1   .   .   .   .   .   .   .   .   .    9   .   H4'    parsed_1lae   1   
        103   1   2   .   .   .   .   .   .   .   .   .    9   .   H2'    parsed_1lae   1   
        104   1   1   .   .   .   .   .   .   .   .   .    9   .   H4'    parsed_1lae   1   
        104   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        105   1   1   .   .   .   .   .   .   .   .   .    9   .   H5'    parsed_1lae   1   
        105   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        106   1   1   .   .   .   .   .   .   .   .   .    9   .   H5''   parsed_1lae   1   
        106   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        107   1   1   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1lae   1   
        107   1   2   .   .   .   .   .   .   .   .   .    9   .   H2''   parsed_1lae   1   
        108   1   1   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        108   1   2   .   .   .   .   .   .   .   .   .    9   .   H1'    parsed_1lae   1   
        109   1   1   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        109   1   2   .   .   .   .   .   .   .   .   .    9   .   H2''   parsed_1lae   1   
        110   1   1   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        110   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        111   1   1   .   .   .   .   .   .   .   .   .   10   .   H5'    parsed_1lae   1   
        111   1   1   .   .   .   .   .   .   .   .   .   10   .   H5''   parsed_1lae   1   
        111   1   2   .   .   .   .   .   .   .   .   .    9   .   H1'    parsed_1lae   1   
        112   1   1   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1lae   1   
        112   1   2   .   .   .   .   .   .   .   .   .   10   .   H1'    parsed_1lae   1   
        113   1   1   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1lae   1   
        113   1   2   .   .   .   .   .   .   .   .   .   10   .   H5     parsed_1lae   1   
        114   1   1   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1lae   1   
        114   1   2   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        115   1   1   .   .   .   .   .   .   .   .   .   10   .   H2''   parsed_1lae   1   
        115   1   2   .   .   .   .   .   .   .   .   .   10   .   H1'    parsed_1lae   1   
        116   1   1   .   .   .   .   .   .   .   .   .   10   .   H3'    parsed_1lae   1   
        116   1   2   .   .   .   .   .   .   .   .   .   10   .   H1'    parsed_1lae   1   
        117   1   1   .   .   .   .   .   .   .   .   .   10   .   H3'    parsed_1lae   1   
        117   1   2   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1lae   1   
        118   1   1   .   .   .   .   .   .   .   .   .   10   .   H3'    parsed_1lae   1   
        118   1   2   .   .   .   .   .   .   .   .   .   10   .   H2''   parsed_1lae   1   
        119   1   1   .   .   .   .   .   .   .   .   .   10   .   H3'    parsed_1lae   1   
        119   1   2   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        120   1   1   .   .   .   .   .   .   .   .   .   10   .   H4'    parsed_1lae   1   
        120   1   2   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1lae   1   
        121   1   1   .   .   .   .   .   .   .   .   .   10   .   H4'    parsed_1lae   1   
        121   1   2   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        122   1   1   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        122   1   2   .   .   .   .   .   .   .   .   .   10   .   H1'    parsed_1lae   1   
        123   1   1   .   .   .   .   .   .   .   .   .   10   .   H5'    parsed_1lae   1   
        123   1   1   .   .   .   .   .   .   .   .   .   10   .   H5''   parsed_1lae   1   
        123   1   2   .   .   .   .   .   .   .   .   .   10   .   H2''   parsed_1lae   1   
        124   1   1   .   .   .   .   .   .   .   .   .   10   .   H5'    parsed_1lae   1   
        124   1   1   .   .   .   .   .   .   .   .   .   10   .   H5''   parsed_1lae   1   
        124   1   2   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        125   1   1   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        125   1   2   .   .   .   .   .   .   .   .   .   10   .   H1'    parsed_1lae   1   
        126   1   1   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        126   1   2   .   .   .   .   .   .   .   .   .   10   .   H2'    parsed_1lae   1   
        127   1   1   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        127   1   2   .   .   .   .   .   .   .   .   .   10   .   H2''   parsed_1lae   1   
        128   1   1   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        128   1   2   .   .   .   .   .   .   .   .   .   10   .   H6     parsed_1lae   1   
        129   1   1   .   .   .   .   .   .   .   .   .   11   .   H3'    parsed_1lae   1   
        129   1   2   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        130   1   1   .   .   .   .   .   .   .   .   .   11   .   H4'    parsed_1lae   1   
        130   1   2   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        131   1   1   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        131   1   2   .   .   .   .   .   .   .   .   .   11   .   H1'    parsed_1lae   1   
        132   1   1   .   .   .   .   .   .   .   .   .   12   .   H5     parsed_1lae   1   
        132   1   2   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        133   1   1   .   .   .   .   .   .   .   .   .   12   .   H6     parsed_1lae   1   
        133   1   2   .   .   .   .   .   .   .   .   .   11   .   H8     parsed_1lae   1   
        134   1   1   .   .   .   .   .   .   .   .   .   12   .   H2'    parsed_1lae   1   
        134   1   2   .   .   .   .   .   .   .   .   .   12   .   H1'    parsed_1lae   1   
        135   1   1   .   .   .   .   .   .   .   .   .   12   .   H2'    parsed_1lae   1   
        135   1   2   .   .   .   .   .   .   .   .   .   12   .   H5     parsed_1lae   1   
        136   1   1   .   .   .   .   .   .   .   .   .   12   .   H3'    parsed_1lae   1   
        136   1   2   .   .   .   .   .   .   .   .   .   12   .   H2''   parsed_1lae   1   
        137   1   1   .   .   .   .   .   .   .   .   .   12   .   H4'    parsed_1lae   1   
        137   1   2   .   .   .   .   .   .   .   .   .   12   .   H2'    parsed_1lae   1   
        138   1   1   .   .   .   .   .   .   .   .   .   12   .   H6     parsed_1lae   1   
        138   1   2   .   .   .   .   .   .   .   .   .   12   .   H5'    parsed_1lae   1   
        139   1   1   .   .   .   .   .   .   .   .   .   13   .   H8     parsed_1lae   1   
        139   1   2   .   .   .   .   .   .   .   .   .   12   .   H1'    parsed_1lae   1   
        140   1   1   .   .   .   .   .   .   .   .   .   13   .   H8     parsed_1lae   1   
        140   1   2   .   .   .   .   .   .   .   .   .   12   .   H2'    parsed_1lae   1   
        141   1   1   .   .   .   .   .   .   .   .   .   13   .   H2'    parsed_1lae   1   
        141   1   2   .   .   .   .   .   .   .   .   .   13   .   H1'    parsed_1lae   1   
        142   1   1   .   .   .   .   .   .   .   .   .   13   .   H3'    parsed_1lae   1   
        142   1   2   .   .   .   .   .   .   .   .   .   13   .   H8     parsed_1lae   1   
        143   1   1   .   .   .   .   .   .   .   .   .   13   .   H4'    parsed_1lae   1   
        143   1   2   .   .   .   .   .   .   .   .   .   13   .   H1'    parsed_1lae   1   
        144   1   1   .   .   .   .   .   .   .   .   .   13   .   H8     parsed_1lae   1   
        144   1   2   .   .   .   .   .   .   .   .   .   13   .   H1'    parsed_1lae   1   
        145   1   1   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1lae   1   
        145   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        146   1   1   .   .   .   .   .   .   .   .   .    8   .   H2'    parsed_1lae   1   
        146   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        147   1   1   .   .   .   .   .   .   .   .   .    8   .   H2''   parsed_1lae   1   
        147   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        148   1   1   .   .   .   .   .   .   .   .   .    8   .   H3'    parsed_1lae   1   
        148   1   2   .   .   .   .   .   .   .   .   .    9   .   H6     parsed_1lae   1   
        149   1   1   .   .   .   .   .   .   .   .   .    8   .   H1'    parsed_1lae   1   
        149   1   2   .   .   .   .   .   .   .   .   .    9   .   H5     parsed_1lae   1   
        150   1   1   .   .   .   .   .   .   .   .   .    8   .   H2'    parsed_1lae   1   
        150   1   2   .   .   .   .   .   .   .   .   .    9   .   H5     parsed_1lae   1   
        151   1   1   .   .   .   .   .   .   .   .   .    8   .   H2''   parsed_1lae   1   
        151   1   2   .   .   .   .   .   .   .   .   .    9   .   H5     parsed_1lae   1   
        152   1   1   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
        152   1   2   .   .   .   .   .   .   .   .   .    6   .   H5'    parsed_1lae   1   
        153   1   1   .   .   .   .   .   .   .   .   .    5   .   H2'    parsed_1lae   1   
        153   1   1   .   .   .   .   .   .   .   .   .    5   .   H2''   parsed_1lae   1   
        153   1   2   .   .   .   .   .   .   .   .   .    6   .   H5#    parsed_1lae   1   
        154   1   1   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
        154   1   2   .   .   .   .   .   .   .   .   .    6   .   H5#    parsed_1lae   1   
        155   1   1   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
        155   1   2   .   .   .   .   .   .   .   .   .    7   .   H5'    parsed_1lae   1   
        156   1   1   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
        156   1   2   .   .   .   .   .   .   .   .   .    7   .   H3'    parsed_1lae   1   
        157   1   1   .   .   .   .   .   .   .   .   .    5   .   H1'    parsed_1lae   1   
        157   1   2   .   .   .   .   .   .   .   .   .    7   .   H2'    parsed_1lae   1   
        158   1   1   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lae   1   
        158   1   2   .   .   .   .   .   .   .   .   .    7   .   H3'    parsed_1lae   1   
        159   1   1   .   .   .   .   .   .   .   .   .    5   .   H8     parsed_1lae   1   
        159   1   2   .   .   .   .   .   .   .   .   .    6   .   H3'    parsed_1lae   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   .   .   .   .   .   3.91   3.08    4.74   parsed_1lae   1   
          2   1   .   .   .   .   .   2.00   2.00    2.32   parsed_1lae   1   
          3   1   .   .   .   .   .   4.33   3.42    5.20   parsed_1lae   1   
          4   1   .   .   .   .   .   4.00   3.50    4.50   parsed_1lae   1   
          5   1   .   .   .   .   .   3.65   2.05    5.20   parsed_1lae   1   
          6   1   .   .   .   .   .   5.54   3.50    5.21   parsed_1lae   1   
          7   1   .   .   .   .   .   3.17   3.00    3.85   parsed_1lae   1   
          8   1   .   .   .   .   .   3.00   2.30    3.30   parsed_1lae   1   
          9   1   .   .   .   .   .   4.50   4.00    5.40   parsed_1lae   1   
         10   1   .   .   .   .   .   4.99   3.94    5.20   parsed_1lae   1   
         11   1   .   .   .   .   .   4.80   4.50    5.10   parsed_1lae   1   
         12   1   .   .   .   .   .   5.00   4.70    5.30   parsed_1lae   1   
         13   1   .   .   .   .   .   4.89   3.64    5.20   parsed_1lae   1   
         14   1   .   .   .   .   .   4.76   3.75    5.20   parsed_1lae   1   
         15   1   .   .   .   .   .   4.36   3.56    4.66   parsed_1lae   1   
         16   1   .   .   .   .   .   3.32   3.02    3.62   parsed_1lae   1   
         17   1   .   .   .   .   .   5.17   4.51    5.41   parsed_1lae   1   
         18   1   .   .   .   .   .   2.84   2.54    3.14   parsed_1lae   1   
         19   1   .   .   .   .   .   4.14   3.45    4.84   parsed_1lae   1   
         20   1   .   .   .   .   .   3.55   3.25    3.85   parsed_1lae   1   
         21   1   .   .   .   .   .   3.82   3.52    4.12   parsed_1lae   1   
         22   1   .   .   .   .   .   4.09   3.67    4.81   parsed_1lae   1   
         23   1   .   .   .   .   .   3.92   3.60    4.21   parsed_1lae   1   
         24   1   .   .   .   .   .   3.12   2.82    3.92   parsed_1lae   1   
         25   1   .   .   .   .   .   3.04   2.34    3.34   parsed_1lae   1   
         26   1   .   .   .   .   .   4.91   4.35    5.20   parsed_1lae   1   
         27   1   .   .   .   .   .   4.99   4.65    5.50   parsed_1lae   1   
         28   1   .   .   .   .   .   4.80   4.50    5.10   parsed_1lae   1   
         29   1   .   .   .   .   .   4.13   3.91    4.36   parsed_1lae   1   
         30   1   .   .   .   .   .   3.10   2.80    4.20   parsed_1lae   1   
         31   1   .   .   .   .   .   4.30   4.00    4.60   parsed_1lae   1   
         32   1   .   .   .   .   .   2.31   2.01    2.61   parsed_1lae   1   
         33   1   .   .   .   .   .   3.23   2.93    3.53   parsed_1lae   1   
         34   1   .   .   .   .   .   2.83   2.53    3.13   parsed_1lae   1   
         35   1   .   .   .   .   .   4.80   4.50    5.10   parsed_1lae   1   
         36   1   .   .   .   .   .   2.50   2.20    2.80   parsed_1lae   1   
         37   1   .   .   .   .   .   4.80   4.30    5.30   parsed_1lae   1   
         38   1   .   .   .   .   .   3.92   3.62    4.22   parsed_1lae   1   
         39   1   .   .   .   .   .   4.82   4.47    5.17   parsed_1lae   1   
         40   1   .   .   .   .   .   2.50   2.20    2.80   parsed_1lae   1   
         41   1   .   .   .   .   .   5.24   4.07    6.41   parsed_1lae   1   
         42   1   .   .   .   .   .   2.84   2.54    3.14   parsed_1lae   1   
         43   1   .   .   .   .   .   4.16   3.85    4.47   parsed_1lae   1   
         44   1   .   .   .   .   .   4.60   4.30    4.90   parsed_1lae   1   
         45   1   .   .   .   .   .   3.89   3.42    4.20   parsed_1lae   1   
         46   1   .   .   .   .   .   4.79   3.98    5.20   parsed_1lae   1   
         47   1   .   .   .   .   .   3.06   2.76    3.36   parsed_1lae   1   
         48   1   .   .   .   .   .   4.80   4.50    5.10   parsed_1lae   1   
         49   1   .   .   .   .   .   5.04   4.32    5.20   parsed_1lae   1   
         50   1   .   .   .   .   .   2.37   2.07    2.67   parsed_1lae   1   
         51   1   .   .   .   .   .   4.49   4.19    4.79   parsed_1lae   1   
         52   1   .   .   .   .   .   3.91   3.31    4.51   parsed_1lae   1   
         53   1   .   .   .   .   .   4.50   3.70    5.30   parsed_1lae   1   
         54   1   .   .   .   .   .   3.63   3.33    3.93   parsed_1lae   1   
         55   1   .   .   .   .   .   3.64   3.34    3.94   parsed_1lae   1   
         56   1   .   .   .   .   .   3.19   2.89    3.49   parsed_1lae   1   
         57   1   .   .   .   .   .   4.35   3.94    4.76   parsed_1lae   1   
         58   1   .   .   .   .   .   2.56   2.26    2.86   parsed_1lae   1   
         59   1   .   .   .   .   .   4.33   3.83    4.83   parsed_1lae   1   
         60   1   .   .   .   .   .   2.81   2.51    3.11   parsed_1lae   1   
         61   1   .   .   .   .   .   2.77   2.47    3.07   parsed_1lae   1   
         62   1   .   .   .   .   .   5.45   4.00    5.20   parsed_1lae   1   
         63   1   .   .   .   .   .   3.42   3.12    3.72   parsed_1lae   1   
         64   1   .   .   .   .   .   4.78   4.48    5.08   parsed_1lae   1   
         65   1   .   .   .   .   .   2.61   2.31    2.91   parsed_1lae   1   
         66   1   .   .   .   .   .   3.77   3.47    4.07   parsed_1lae   1   
         67   1   .   .   .   .   .   4.31   3.94    4.68   parsed_1lae   1   
         68   1   .   .   .   .   .   3.22   2.92    3.52   parsed_1lae   1   
         69   1   .   .   .   .   .   4.38   4.08    4.68   parsed_1lae   1   
         70   1   .   .   .   .   .   2.71   1.99    3.42   parsed_1lae   1   
         71   1   .   .   .   .   .   2.25   1.90    2.60   parsed_1lae   1   
         72   1   .   .   .   .   .   2.69   2.36    3.02   parsed_1lae   1   
         73   1   .   .   .   .   .   5.20   4.60    5.20   parsed_1lae   1   
         74   1   .   .   .   .   .   4.17   3.38    4.96   parsed_1lae   1   
         75   1   .   .   .   .   .   3.59   2.57    4.11   parsed_1lae   1   
         76   1   .   .   .   .   .   4.90   4.56    5.20   parsed_1lae   1   
         77   1   .   .   .   .   .   4.84   4.01    5.20   parsed_1lae   1   
         78   1   .   .   .   .   .   3.29   2.98    3.90   parsed_1lae   1   
         79   1   .   .   .   .   .   4.00   3.50    4.50   parsed_1lae   1   
         80   1   .   .   .   .   .   4.90   4.52    5.20   parsed_1lae   1   
         81   1   .   .   .   .   .   2.96   2.60    3.33   parsed_1lae   1   
         82   1   .   .   .   .   .   2.90   2.24    3.56   parsed_1lae   1   
         83   1   .   .   .   .   .   5.88   4.58    5.20   parsed_1lae   1   
         84   1   .   .   .   .   .   3.67   3.29    4.05   parsed_1lae   1   
         85   1   .   .   .   .   .   3.02   2.64    3.70   parsed_1lae   1   
         86   1   .   .   .   .   .   5.24   4.22    5.20   parsed_1lae   1   
         87   1   .   .   .   .   .   2.83   2.53    3.13   parsed_1lae   1   
         88   1   .   .   .   .   .   2.35   2.05    2.65   parsed_1lae   1   
         89   1   .   .   .   .   .   5.39   4.18    5.20   parsed_1lae   1   
         90   1   .   .   .   .   .   3.09   2.79    3.39   parsed_1lae   1   
         91   1   .   .   .   .   .   4.00   3.54    4.46   parsed_1lae   1   
         92   1   .   .   .   .   .   3.50   3.11    3.89   parsed_1lae   1   
         93   1   .   .   .   .   .   4.45   3.62    5.20   parsed_1lae   1   
         94   1   .   .   .   .   .   4.56   3.24    5.20   parsed_1lae   1   
         95   1   .   .   .   .   .   2.99   2.58    3.40   parsed_1lae   1   
         96   1   .   .   .   .   .   2.61   2.31    2.91   parsed_1lae   1   
         97   1   .   .   .   .   .   3.30   3.00    3.60   parsed_1lae   1   
         98   1   .   .   .   .   .   2.69   2.40    3.48   parsed_1lae   1   
         99   1   .   .   .   .   .   2.31   2.01    2.61   parsed_1lae   1   
        100   1   .   .   .   .   .   3.25   2.95    3.85   parsed_1lae   1   
        101   1   .   .   .   .   .   4.00   3.70    4.30   parsed_1lae   1   
        102   1   .   .   .   .   .   3.12   2.82    3.42   parsed_1lae   1   
        103   1   .   .   .   .   .   3.46   3.16    3.76   parsed_1lae   1   
        104   1   .   .   .   .   .   4.80   4.50    5.10   parsed_1lae   1   
        105   1   .   .   .   .   .   4.50   4.00    5.00   parsed_1lae   1   
        106   1   .   .   .   .   .   2.85   2.55    3.15   parsed_1lae   1   
        107   1   .   .   .   .   .   3.28   2.98    3.58   parsed_1lae   1   
        108   1   .   .   .   .   .   3.74   3.44    4.04   parsed_1lae   1   
        109   1   .   .   .   .   .   2.79   2.49    3.09   parsed_1lae   1   
        110   1   .   .   .   .   .   6.33   4.34    5.40   parsed_1lae   1   
        111   1   .   .   .   .   .   5.14   4.84    5.44   parsed_1lae   1   
        112   1   .   .   .   .   .   2.95   2.65    3.25   parsed_1lae   1   
        113   1   .   .   .   .   .   5.09   3.47    5.20   parsed_1lae   1   
        114   1   .   .   .   .   .   2.32   2.02    2.62   parsed_1lae   1   
        115   1   .   .   .   .   .   2.19   1.89    2.49   parsed_1lae   1   
        116   1   .   .   .   .   .   4.18   3.84    4.52   parsed_1lae   1   
        117   1   .   .   .   .   .   2.34   2.04    2.64   parsed_1lae   1   
        118   1   .   .   .   .   .   2.73   2.43    3.03   parsed_1lae   1   
        119   1   .   .   .   .   .   3.67   3.37    3.97   parsed_1lae   1   
        120   1   .   .   .   .   .   3.56   3.26    3.86   parsed_1lae   1   
        121   1   .   .   .   .   .   4.54   4.24    4.84   parsed_1lae   1   
        122   1   .   .   .   .   .   3.41   3.11    3.71   parsed_1lae   1   
        123   1   .   .   .   .   .   4.44   3.40    5.48   parsed_1lae   1   
        124   1   .   .   .   .   .   5.15   4.76    5.54   parsed_1lae   1   
        125   1   .   .   .   .   .   4.03   3.73    4.33   parsed_1lae   1   
        126   1   .   .   .   .   .   3.57   3.27    3.87   parsed_1lae   1   
        127   1   .   .   .   .   .   2.60   2.30    2.90   parsed_1lae   1   
        128   1   .   .   .   .   .   4.90   4.60    5.40   parsed_1lae   1   
        129   1   .   .   .   .   .   4.79   3.92    5.20   parsed_1lae   1   
        130   1   .   .   .   .   .   4.50   4.00    5.00   parsed_1lae   1   
        131   1   .   .   .   .   .   3.89   3.25    4.20   parsed_1lae   1   
        132   1   .   .   .   .   .   4.14   3.84    4.44   parsed_1lae   1   
        133   1   .   .   .   .   .   4.82   4.44    5.40   parsed_1lae   1   
        134   1   .   .   .   .   .   3.33   2.97    3.70   parsed_1lae   1   
        135   1   .   .   .   .   .   4.18   3.75    4.61   parsed_1lae   1   
        136   1   .   .   .   .   .   2.84   2.54    3.14   parsed_1lae   1   
        137   1   .   .   .   .   .   4.04   3.70    4.38   parsed_1lae   1   
        138   1   .   .   .   .   .   4.70   4.08    5.20   parsed_1lae   1   
        139   1   .   .   .   .   .   4.92   4.67    5.17   parsed_1lae   1   
        140   1   .   .   .   .   .   3.38   3.08    4.18   parsed_1lae   1   
        141   1   .   .   .   .   .   3.20   2.90    3.50   parsed_1lae   1   
        142   1   .   .   .   .   .   4.50   4.20    4.80   parsed_1lae   1   
        143   1   .   .   .   .   .   3.46   3.16    3.76   parsed_1lae   1   
        144   1   .   .   .   .   .   4.86   3.56    5.20   parsed_1lae   1   
        145   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        146   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        147   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        148   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        149   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        150   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        151   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        152   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        153   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        154   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        155   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        156   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        157   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        158   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   1   
        159   1   .   .   .   .   .   5.00   5.00   15.00   parsed_1lae   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   "Class 1 Distance Restraints"                                                                                                                                                      1    1     1   30   parsed_1lae   1   
         2    man                                                                                          7   81     7   86   parsed_1lae   1   
         3    lb-1.0                                                                                       9   81     9   90   parsed_1lae   1   
         4    ub+0.5                                                                                      10   81    10   90   parsed_1lae   1   
         5    lb-0.5                                                                                      11   81    11   90   parsed_1lae   1   
         6    man                                                                                         12   81    12   86   parsed_1lae   1   
         7    man                                                                                         14   81    14   87   parsed_1lae   1   
         8    man                                                                                         15   81    15   88   parsed_1lae   1   
         9    lb-0.5                                                                                      16   81    16   90   parsed_1lae   1   
        10    lb-0.5                                                                                      18   81    18   90   parsed_1lae   1   
        11   "assign ( resid   3 and name H2'' )( resid   3 and name H5   )  6.45  0.69  0.69 ! sd"                                                                                            23    1    23   88   parsed_1lae   1   
        12    ub+0.3                                                                                      26   81    26   90   parsed_1lae   1   
        13                                                                                        -1      27   81    27   86   parsed_1lae   1   
        14    ub+0.5                                                                                      28   81    28   90   parsed_1lae   1   
        15    lb-0.5                                                                                      29   81    29   90   parsed_1lae   1   
        16    man                                                                                         32   81    32   87   parsed_1lae   1   
        17    ub+0.8                                                                                      34   81    34   90   parsed_1lae   1   
        18    man                                                                                         40   81    40   87   parsed_1lae   1   
        19    man                                                                                         42   81    42   88   parsed_1lae   1   
        20    man                                                                                         52   81    52   88   parsed_1lae   1   
        21                                                                                        -1      53   81    53   85   parsed_1lae   1   
        22    man                                                                                         56   81    56   87   parsed_1lae   1   
        23    man                                                                                         62   81    62   88   parsed_1lae   1   
        24                                                                                        -1      68   81    68   86   parsed_1lae   1   
        25                                                                                        -0.6    70   81    70   87   parsed_1lae   1   
        26   "assign ( resid   7 and name H8   )( resid   6 and name H1'  )  6.41  0.32  0.32 ! sd"                                                                                            77    1    77   87   parsed_1lae   1   
        27    lb-0.5                                                                                      85   81    85   90   parsed_1lae   1   
        28   
;
ub+0.3
assign ( resid   7 and name H4'  )( resid   8 and name H5#  )  7.35  0.48  0.47 ! sd
;
                                                                                           88   81    89   88   parsed_1lae   1   
        29   "! man***"                                                                                                                                                                        90   81    90   92   parsed_1lae   1   
        30                                                                                        +1      92   81    92   86   parsed_1lae   1   
        31   
;
+1
assign ( resid   8 and name H6   )( resid   7 and name H8   )  4.60  0.60 0.60 ! man
;
                                                                                           93   81    94   89   parsed_1lae   1   
        32    ub+0.3                                                                                      97   81    97   90   parsed_1lae   1   
        33    lb-0.5                                                                                      98   81    98   90   parsed_1lae   1   
        34    ub+0.5                                                                                     110   81   110   90   parsed_1lae   1   
        35                                                                                        +0.5   112   81   112   88   parsed_1lae   1   
        36    man                                                                                        113   81   113   86   parsed_1lae   1   
        37    man                                                                                        116   81   116   86   parsed_1lae   1   
        38    man                                                                                        117   81   117   86   parsed_1lae   1   
        39                                                                                        +0.5   134   81   134   88   parsed_1lae   1   
        40                                                                                        -0.5   142   81   142   88   parsed_1lae   1   
        41    man                                                                                        145   81   145   88   parsed_1lae   1   
        42                                                                                        -1     146   81   146   86   parsed_1lae   1   
        43    ub+0.50                                                                                    155   81   155   92   parsed_1lae   1   
        44    man                                                                                        157   81   157   88   parsed_1lae   1   
        45   
;
lb-0.5
negative restraints
;
                                                                                          159   81   160   22   parsed_1lae   1   
        46   "assign ( resid   5 and name  H1' )( resid   6 and name H1'  )  6.00  0.00 10.00"                                                                                                168    1   168   84   parsed_1lae   1   
        47   
;
assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' ))
( resid   6 and name  H6  )  5.00  0.00 10.00
;
                                                                                          170    1   171   83   parsed_1lae   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Wednesday, May 1, 2024 4:32:36 PM GMT (wattos1)