NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype item_count
584299 2mur 25230 cing 2-parsed STAR distance hydrogen bond simple 93


data_2mur_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mur 
    _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_2mur   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mur 
    _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   2mur   "Master copy"    parsed_2mur   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mur 
    _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   2mur.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2mur   1   
        1   2mur.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             4082   parsed_2mur   1   
        1   2mur.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"      simple               93   parsed_2mur   1   
        1   2mur.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_2mur   1   
        1   2mur.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2mur   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mur 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _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_2mur   1   
         2   1   .   .   .   parsed_2mur   1   
         3   1   .   .   .   parsed_2mur   1   
         4   1   .   .   .   parsed_2mur   1   
         5   1   .   .   .   parsed_2mur   1   
         6   1   .   .   .   parsed_2mur   1   
         7   1   .   .   .   parsed_2mur   1   
         8   1   .   .   .   parsed_2mur   1   
         9   1   .   .   .   parsed_2mur   1   
        10   1   .   .   .   parsed_2mur   1   
        11   1   .   .   .   parsed_2mur   1   
        12   1   .   .   .   parsed_2mur   1   
        13   1   .   .   .   parsed_2mur   1   
        14   1   .   .   .   parsed_2mur   1   
        15   1   .   .   .   parsed_2mur   1   
        16   1   .   .   .   parsed_2mur   1   
        17   1   .   .   .   parsed_2mur   1   
        18   1   .   .   .   parsed_2mur   1   
        19   1   .   .   .   parsed_2mur   1   
        20   1   .   .   .   parsed_2mur   1   
        21   1   .   .   .   parsed_2mur   1   
        22   1   .   .   .   parsed_2mur   1   
        23   1   .   .   .   parsed_2mur   1   
        24   1   .   .   .   parsed_2mur   1   
        25   1   .   .   .   parsed_2mur   1   
        26   1   .   .   .   parsed_2mur   1   
        27   1   .   .   .   parsed_2mur   1   
        28   1   .   .   .   parsed_2mur   1   
        29   1   .   .   .   parsed_2mur   1   
        30   1   .   .   .   parsed_2mur   1   
        31   1   .   .   .   parsed_2mur   1   
        32   1   .   .   .   parsed_2mur   1   
        33   1   .   .   .   parsed_2mur   1   
        34   1   .   .   .   parsed_2mur   1   
        35   1   .   .   .   parsed_2mur   1   
        36   1   .   .   .   parsed_2mur   1   
        37   1   .   .   .   parsed_2mur   1   
        38   1   .   .   .   parsed_2mur   1   
        39   1   .   .   .   parsed_2mur   1   
        40   1   .   .   .   parsed_2mur   1   
        41   1   .   .   .   parsed_2mur   1   
        42   1   .   .   .   parsed_2mur   1   
        43   1   .   .   .   parsed_2mur   1   
        44   1   .   .   .   parsed_2mur   1   
        45   1   .   .   .   parsed_2mur   1   
        46   1   .   .   .   parsed_2mur   1   
        47   1   .   .   .   parsed_2mur   1   
        48   1   .   .   .   parsed_2mur   1   
        49   1   .   .   .   parsed_2mur   1   
        50   1   .   .   .   parsed_2mur   1   
        51   1   .   .   .   parsed_2mur   1   
        52   1   .   .   .   parsed_2mur   1   
        53   1   .   .   .   parsed_2mur   1   
        54   1   .   .   .   parsed_2mur   1   
        55   1   .   .   .   parsed_2mur   1   
        56   1   .   .   .   parsed_2mur   1   
        57   1   .   .   .   parsed_2mur   1   
        58   1   .   .   .   parsed_2mur   1   
        59   1   .   .   .   parsed_2mur   1   
        60   1   .   .   .   parsed_2mur   1   
        61   1   .   .   .   parsed_2mur   1   
        62   1   .   .   .   parsed_2mur   1   
        63   1   .   .   .   parsed_2mur   1   
        64   1   .   .   .   parsed_2mur   1   
        65   1   .   .   .   parsed_2mur   1   
        66   1   .   .   .   parsed_2mur   1   
        67   1   .   .   .   parsed_2mur   1   
        68   1   .   .   .   parsed_2mur   1   
        69   1   .   .   .   parsed_2mur   1   
        70   1   .   .   .   parsed_2mur   1   
        71   1   .   .   .   parsed_2mur   1   
        72   1   .   .   .   parsed_2mur   1   
        73   1   .   .   .   parsed_2mur   1   
        74   1   .   .   .   parsed_2mur   1   
        75   1   .   .   .   parsed_2mur   1   
        76   1   .   .   .   parsed_2mur   1   
        77   1   .   .   .   parsed_2mur   1   
        78   1   .   .   .   parsed_2mur   1   
        79   1   .   .   .   parsed_2mur   1   
        80   1   .   .   .   parsed_2mur   1   
        81   1   .   .   .   parsed_2mur   1   
        82   1   .   .   .   parsed_2mur   1   
        83   1   .   .   .   parsed_2mur   1   
        84   1   .   .   .   parsed_2mur   1   
        85   1   .   .   .   parsed_2mur   1   
        86   1   .   .   .   parsed_2mur   1   
        87   1   .   .   .   parsed_2mur   1   
        88   1   .   .   .   parsed_2mur   1   
        89   1   .   .   .   parsed_2mur   1   
        90   1   .   .   .   parsed_2mur   1   
        91   1   .   .   .   parsed_2mur   1   
        92   1   .   .   .   parsed_2mur   1   
        93   1   .   .   .   parsed_2mur   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   .   .   .   .   .   .   .   .   .   101   MET   H      parsed_2mur   1   
         1   1   2   .   .   .   .   .   .   .   .   .   117   VAL   O      parsed_2mur   1   
         2   1   1   .   .   .   .   .   .   .   .   .   101   MET   N      parsed_2mur   1   
         2   1   2   .   .   .   .   .   .   .   .   .   117   VAL   O      parsed_2mur   1   
         3   1   1   .   .   .   .   .   .   .   .   .   101   MET   O      parsed_2mur   1   
         3   1   2   .   .   .   .   .   .   .   .   .   117   VAL   H      parsed_2mur   1   
         4   1   1   .   .   .   .   .   .   .   .   .   101   MET   O      parsed_2mur   1   
         4   1   2   .   .   .   .   .   .   .   .   .   117   VAL   N      parsed_2mur   1   
         5   1   1   .   .   .   .   .   .   .   .   .   103   ILE   H      parsed_2mur   1   
         5   1   2   .   .   .   .   .   .   .   .   .   115   LEU   O      parsed_2mur   1   
         6   1   1   .   .   .   .   .   .   .   .   .   103   ILE   N      parsed_2mur   1   
         6   1   2   .   .   .   .   .   .   .   .   .   115   LEU   O      parsed_2mur   1   
         7   1   1   .   .   .   .   .   .   .   .   .   103   ILE   O      parsed_2mur   1   
         7   1   2   .   .   .   .   .   .   .   .   .   115   LEU   H      parsed_2mur   1   
         8   1   1   .   .   .   .   .   .   .   .   .   103   ILE   O      parsed_2mur   1   
         8   1   2   .   .   .   .   .   .   .   .   .   115   LEU   N      parsed_2mur   1   
         9   1   1   .   .   .   .   .   .   .   .   .   105   VAL   H      parsed_2mur   1   
         9   1   2   .   .   .   .   .   .   .   .   .   113   ILE   O      parsed_2mur   1   
        10   1   1   .   .   .   .   .   .   .   .   .   105   VAL   N      parsed_2mur   1   
        10   1   2   .   .   .   .   .   .   .   .   .   113   ILE   O      parsed_2mur   1   
        11   1   1   .   .   .   .   .   .   .   .   .   105   VAL   O      parsed_2mur   1   
        11   1   2   .   .   .   .   .   .   .   .   .   113   ILE   H      parsed_2mur   1   
        12   1   1   .   .   .   .   .   .   .   .   .   105   VAL   O      parsed_2mur   1   
        12   1   2   .   .   .   .   .   .   .   .   .   113   ILE   N      parsed_2mur   1   
        13   1   1   .   .   .   .   .   .   .   .   .   107   THR   H      parsed_2mur   1   
        13   1   2   .   .   .   .   .   .   .   .   .   111   LYS   O      parsed_2mur   1   
        14   1   1   .   .   .   .   .   .   .   .   .   107   THR   N      parsed_2mur   1   
        14   1   2   .   .   .   .   .   .   .   .   .   111   LYS   O      parsed_2mur   1   
        15   1   1   .   .   .   .   .   .   .   .   .   107   THR   O      parsed_2mur   1   
        15   1   2   .   .   .   .   .   .   .   .   .   110   GLY   H      parsed_2mur   1   
        16   1   1   .   .   .   .   .   .   .   .   .   107   THR   O      parsed_2mur   1   
        16   1   2   .   .   .   .   .   .   .   .   .   110   GLY   N      parsed_2mur   1   
        17   1   1   .   .   .   .   .   .   .   .   .   106   LYS   O      parsed_2mur   1   
        17   1   2   .   .   .   .   .   .   .   .   .   169   LEU   H      parsed_2mur   1   
        18   1   1   .   .   .   .   .   .   .   .   .   106   LYS   O      parsed_2mur   1   
        18   1   2   .   .   .   .   .   .   .   .   .   169   LEU   N      parsed_2mur   1   
        19   1   1   .   .   .   .   .   .   .   .   .   106   LYS   H      parsed_2mur   1   
        19   1   2   .   .   .   .   .   .   .   .   .   167   LEU   O      parsed_2mur   1   
        20   1   1   .   .   .   .   .   .   .   .   .   106   LYS   N      parsed_2mur   1   
        20   1   2   .   .   .   .   .   .   .   .   .   167   LEU   O      parsed_2mur   1   
        21   1   1   .   .   .   .   .   .   .   .   .   104   PHE   O      parsed_2mur   1   
        21   1   2   .   .   .   .   .   .   .   .   .   167   LEU   H      parsed_2mur   1   
        22   1   1   .   .   .   .   .   .   .   .   .   104   PHE   O      parsed_2mur   1   
        22   1   2   .   .   .   .   .   .   .   .   .   167   LEU   N      parsed_2mur   1   
        23   1   1   .   .   .   .   .   .   .   .   .   104   PHE   H      parsed_2mur   1   
        23   1   2   .   .   .   .   .   .   .   .   .   165   SER   O      parsed_2mur   1   
        24   1   1   .   .   .   .   .   .   .   .   .   104   PHE   N      parsed_2mur   1   
        24   1   2   .   .   .   .   .   .   .   .   .   165   SER   O      parsed_2mur   1   
        25   1   1   .   .   .   .   .   .   .   .   .   102   GLN   O      parsed_2mur   1   
        25   1   2   .   .   .   .   .   .   .   .   .   164   GLU   H      parsed_2mur   1   
        26   1   1   .   .   .   .   .   .   .   .   .   102   GLN   O      parsed_2mur   1   
        26   1   2   .   .   .   .   .   .   .   .   .   164   GLU   N      parsed_2mur   1   
        27   1   1   .   .   .   .   .   .   .   .   .   142   ARG   H      parsed_2mur   1   
        27   1   2   .   .   .   .   .   .   .   .   .   170   VAL   O      parsed_2mur   1   
        28   1   1   .   .   .   .   .   .   .   .   .   142   ARG   N      parsed_2mur   1   
        28   1   2   .   .   .   .   .   .   .   .   .   170   VAL   O      parsed_2mur   1   
        29   1   1   .   .   .   .   .   .   .   .   .   142   ARG   O      parsed_2mur   1   
        29   1   2   .   .   .   .   .   .   .   .   .   170   VAL   H      parsed_2mur   1   
        30   1   1   .   .   .   .   .   .   .   .   .   142   ARG   O      parsed_2mur   1   
        30   1   2   .   .   .   .   .   .   .   .   .   170   VAL   N      parsed_2mur   1   
        31   1   1   .   .   .   .   .   .   .   .   .   143   LEU   O      parsed_2mur   1   
        31   1   2   .   .   .   .   .   .   .   .   .   150   LEU   H      parsed_2mur   1   
        32   1   1   .   .   .   .   .   .   .   .   .   143   LEU   O      parsed_2mur   1   
        32   1   2   .   .   .   .   .   .   .   .   .   150   LEU   N      parsed_2mur   1   
        33   1   1   .   .   .   .   .   .   .   .   .   145   PHE   O      parsed_2mur   1   
        33   1   2   .   .   .   .   .   .   .   .   .   148   LYS   H      parsed_2mur   1   
        34   1   1   .   .   .   .   .   .   .   .   .   145   PHE   O      parsed_2mur   1   
        34   1   2   .   .   .   .   .   .   .   .   .   148   LYS   N      parsed_2mur   1   
        35   1   1   .   .   .   .   .   .   .   .   .   121   ASP   O      parsed_2mur   1   
        35   1   2   .   .   .   .   .   .   .   .   .   156   LEU   H      parsed_2mur   1   
        36   1   1   .   .   .   .   .   .   .   .   .   121   ASP   O      parsed_2mur   1   
        36   1   2   .   .   .   .   .   .   .   .   .   156   LEU   N      parsed_2mur   1   
        37   1   1   .   .   .   .   .   .   .   .   .   122   THR   O      parsed_2mur   1   
        37   1   2   .   .   .   .   .   .   .   .   .   126   VAL   H      parsed_2mur   1   
        38   1   1   .   .   .   .   .   .   .   .   .   122   THR   O      parsed_2mur   1   
        38   1   2   .   .   .   .   .   .   .   .   .   126   VAL   N      parsed_2mur   1   
        39   1   1   .   .   .   .   .   .   .   .   .   123   ILE   O      parsed_2mur   1   
        39   1   2   .   .   .   .   .   .   .   .   .   127   LYS   H      parsed_2mur   1   
        40   1   1   .   .   .   .   .   .   .   .   .   123   ILE   O      parsed_2mur   1   
        40   1   2   .   .   .   .   .   .   .   .   .   127   LYS   N      parsed_2mur   1   
        41   1   1   .   .   .   .   .   .   .   .   .   124   GLU   O      parsed_2mur   1   
        41   1   2   .   .   .   .   .   .   .   .   .   128   ALA   H      parsed_2mur   1   
        42   1   1   .   .   .   .   .   .   .   .   .   124   GLU   O      parsed_2mur   1   
        42   1   2   .   .   .   .   .   .   .   .   .   128   ALA   N      parsed_2mur   1   
        43   1   1   .   .   .   .   .   .   .   .   .   125   ASN   O      parsed_2mur   1   
        43   1   2   .   .   .   .   .   .   .   .   .   129   LYS   H      parsed_2mur   1   
        44   1   1   .   .   .   .   .   .   .   .   .   125   ASN   O      parsed_2mur   1   
        44   1   2   .   .   .   .   .   .   .   .   .   129   LYS   N      parsed_2mur   1   
        45   1   1   .   .   .   .   .   .   .   .   .   126   VAL   O      parsed_2mur   1   
        45   1   2   .   .   .   .   .   .   .   .   .   130   ILE   H      parsed_2mur   1   
        46   1   1   .   .   .   .   .   .   .   .   .   126   VAL   O      parsed_2mur   1   
        46   1   2   .   .   .   .   .   .   .   .   .   130   ILE   N      parsed_2mur   1   
        47   1   1   .   .   .   .   .   .   .   .   .   127   LYS   O      parsed_2mur   1   
        47   1   2   .   .   .   .   .   .   .   .   .   131   GLN   H      parsed_2mur   1   
        48   1   1   .   .   .   .   .   .   .   .   .   127   LYS   O      parsed_2mur   1   
        48   1   2   .   .   .   .   .   .   .   .   .   131   GLN   N      parsed_2mur   1   
        49   1   1   .   .   .   .   .   .   .   .   .   130   ILE   O      parsed_2mur   1   
        49   1   2   .   .   .   .   .   .   .   .   .   134   GLU   H      parsed_2mur   1   
        50   1   1   .   .   .   .   .   .   .   .   .   130   ILE   O      parsed_2mur   1   
        50   1   2   .   .   .   .   .   .   .   .   .   134   GLU   N      parsed_2mur   1   
        51   1   1   .   .   .   .   .   .   .   .   .   131   GLN   O      parsed_2mur   1   
        51   1   2   .   .   .   .   .   .   .   .   .   135   GLY   H      parsed_2mur   1   
        52   1   1   .   .   .   .   .   .   .   .   .   131   GLN   O      parsed_2mur   1   
        52   1   2   .   .   .   .   .   .   .   .   .   135   GLY   N      parsed_2mur   1   
        53   1   1   .   .   .   .   .   .   .   .   .   136   ILE   O      parsed_2mur   1   
        53   1   2   .   .   .   .   .   .   .   .   .   141   GLN   NE2    parsed_2mur   1   
        54   1   1   .   .   .   .   .   .   .   .   .   136   ILE   O      parsed_2mur   1   
        54   1   2   .   .   .   .   .   .   .   .   .   141   GLN   HE21   parsed_2mur   1   
        55   1   1   .   .   .   .   .   .   .   .   .   137   PRO   O      parsed_2mur   1   
        55   1   2   .   .   .   .   .   .   .   .   .   140   GLN   H      parsed_2mur   1   
        56   1   1   .   .   .   .   .   .   .   .   .   137   PRO   O      parsed_2mur   1   
        56   1   2   .   .   .   .   .   .   .   .   .   140   GLN   N      parsed_2mur   1   
        57   1   1   .   .   .   .   .   .   .   .   .   137   PRO   O      parsed_2mur   1   
        57   1   2   .   .   .   .   .   .   .   .   .   141   GLN   H      parsed_2mur   1   
        58   1   1   .   .   .   .   .   .   .   .   .   137   PRO   O      parsed_2mur   1   
        58   1   2   .   .   .   .   .   .   .   .   .   141   GLN   N      parsed_2mur   1   
        59   1   1   .   .   .   .   .   .   .   .   .   148   LYS   O      parsed_2mur   1   
        59   1   2   .   .   .   .   .   .   .   .   .   145   PHE   H      parsed_2mur   1   
        60   1   1   .   .   .   .   .   .   .   .   .   148   LYS   O      parsed_2mur   1   
        60   1   2   .   .   .   .   .   .   .   .   .   145   PHE   N      parsed_2mur   1   
        61   1   1   .   .   .   .   .   .   .   .   .     9   ARG   O      parsed_2mur   1   
        61   1   2   .   .   .   .   .   .   .   .   .    18   PHE   H      parsed_2mur   1   
        62   1   1   .   .   .   .   .   .   .   .   .     9   ARG   O      parsed_2mur   1   
        62   1   2   .   .   .   .   .   .   .   .   .    18   PHE   N      parsed_2mur   1   
        63   1   1   .   .   .   .   .   .   .   .   .    11   CYS   H      parsed_2mur   1   
        63   1   2   .   .   .   .   .   .   .   .   .    16   LYS   O      parsed_2mur   1   
        64   1   1   .   .   .   .   .   .   .   .   .    11   CYS   N      parsed_2mur   1   
        64   1   2   .   .   .   .   .   .   .   .   .    16   LYS   O      parsed_2mur   1   
        65   1   1   .   .   .   .   .   .   .   .   .    11   CYS   O      parsed_2mur   1   
        65   1   2   .   .   .   .   .   .   .   .   .    16   LYS   H      parsed_2mur   1   
        66   1   1   .   .   .   .   .   .   .   .   .    11   CYS   O      parsed_2mur   1   
        66   1   2   .   .   .   .   .   .   .   .   .    16   LYS   N      parsed_2mur   1   
        67   1   1   .   .   .   .   .   .   .   .   .    11   CYS   O      parsed_2mur   1   
        67   1   2   .   .   .   .   .   .   .   .   .    15   GLN   H      parsed_2mur   1   
        68   1   1   .   .   .   .   .   .   .   .   .    11   CYS   O      parsed_2mur   1   
        68   1   2   .   .   .   .   .   .   .   .   .    15   GLN   N      parsed_2mur   1   
        69   1   1   .   .   .   .   .   .   .   .   .    23   THR   O      parsed_2mur   1   
        69   1   2   .   .   .   .   .   .   .   .   .    27   VAL   H      parsed_2mur   1   
        70   1   1   .   .   .   .   .   .   .   .   .    23   THR   O      parsed_2mur   1   
        70   1   2   .   .   .   .   .   .   .   .   .    27   VAL   N      parsed_2mur   1   
        71   1   1   .   .   .   .   .   .   .   .   .    24   GLN   O      parsed_2mur   1   
        71   1   2   .   .   .   .   .   .   .   .   .    28   ASP   H      parsed_2mur   1   
        72   1   1   .   .   .   .   .   .   .   .   .    24   GLN   O      parsed_2mur   1   
        72   1   2   .   .   .   .   .   .   .   .   .    28   ASP   N      parsed_2mur   1   
        73   1   1   .   .   .   .   .   .   .   .   .    25   LEU   O      parsed_2mur   1   
        73   1   2   .   .   .   .   .   .   .   .   .    29   SER   H      parsed_2mur   1   
        74   1   1   .   .   .   .   .   .   .   .   .    25   LEU   O      parsed_2mur   1   
        74   1   2   .   .   .   .   .   .   .   .   .    29   SER   N      parsed_2mur   1   
        75   1   1   .   .   .   .   .   .   .   .   .    27   VAL   O      parsed_2mur   1   
        75   1   2   .   .   .   .   .   .   .   .   .    31   LEU   H      parsed_2mur   1   
        76   1   1   .   .   .   .   .   .   .   .   .    27   VAL   O      parsed_2mur   1   
        76   1   2   .   .   .   .   .   .   .   .   .    31   LEU   N      parsed_2mur   1   
        77   1   1   .   .   .   .   .   .   .   .   .    28   ASP   O      parsed_2mur   1   
        77   1   2   .   .   .   .   .   .   .   .   .    32   ALA   H      parsed_2mur   1   
        78   1   1   .   .   .   .   .   .   .   .   .    28   ASP   O      parsed_2mur   1   
        78   1   2   .   .   .   .   .   .   .   .   .    32   ALA   N      parsed_2mur   1   
        79   1   1   .   .   .   .   .   .   .   .   .    30   HIS   O      parsed_2mur   1   
        79   1   2   .   .   .   .   .   .   .   .   .    34   CYS   H      parsed_2mur   1   
        80   1   1   .   .   .   .   .   .   .   .   .    30   HIS   O      parsed_2mur   1   
        80   1   2   .   .   .   .   .   .   .   .   .    34   CYS   N      parsed_2mur   1   
        81   1   1   .   .   .   .   .   .   .   .   .    31   LEU   O      parsed_2mur   1   
        81   1   2   .   .   .   .   .   .   .   .   .    35   LEU   H      parsed_2mur   1   
        82   1   1   .   .   .   .   .   .   .   .   .    31   LEU   O      parsed_2mur   1   
        82   1   2   .   .   .   .   .   .   .   .   .    35   LEU   N      parsed_2mur   1   
        83   1   1   .   .   .   .   .   .   .   .   .    32   ALA   O      parsed_2mur   1   
        83   1   2   .   .   .   .   .   .   .   .   .    36   ALA   H      parsed_2mur   1   
        84   1   1   .   .   .   .   .   .   .   .   .    32   ALA   O      parsed_2mur   1   
        84   1   2   .   .   .   .   .   .   .   .   .    36   ALA   N      parsed_2mur   1   
        85   1   1   .   .   .   .   .   .   .   .   .    33   GLN   O      parsed_2mur   1   
        85   1   2   .   .   .   .   .   .   .   .   .    37   GLU   H      parsed_2mur   1   
        86   1   1   .   .   .   .   .   .   .   .   .    33   GLN   O      parsed_2mur   1   
        86   1   2   .   .   .   .   .   .   .   .   .    37   GLU   N      parsed_2mur   1   
        87   1   1   .   .   .   .   .   .   .   .   .    34   CYS   O      parsed_2mur   1   
        87   1   2   .   .   .   .   .   .   .   .   .    38   SER   H      parsed_2mur   1   
        88   1   1   .   .   .   .   .   .   .   .   .    34   CYS   O      parsed_2mur   1   
        88   1   2   .   .   .   .   .   .   .   .   .    38   SER   N      parsed_2mur   1   
        89   1   1   .   .   .   .   .   .   .   .   .   147   GLY   O      parsed_2mur   1   
        89   1   2   .   .   .   .   .   .   .   .   .    44   TRP   HE1    parsed_2mur   1   
        90   1   1   .   .   .   .   .   .   .   .   .   147   GLY   O      parsed_2mur   1   
        90   1   2   .   .   .   .   .   .   .   .   .    44   TRP   NE1    parsed_2mur   1   
        91   1   1   .   .   .   .   .   .   .   .   .    41   ASP   OD1    parsed_2mur   1   
        91   1   2   .   .   .   .   .   .   .   .   .   142   ARG   NH1    parsed_2mur   1   
        92   1   1   .   .   .   .   .   .   .   .   .    41   ASP   OD1    parsed_2mur   1   
        92   1   2   .   .   .   .   .   .   .   .   .   142   ARG   NH2    parsed_2mur   1   
        93   1   1   .   .   .   .   .   .   .   .   .    41   ASP   OD2    parsed_2mur   1   
        93   1   2   .   .   .   .   .   .   .   .   .   172   ARG   NH1    parsed_2mur   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   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
         2   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
         3   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
         4   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
         5   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
         6   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
         7   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
         8   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
         9   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        10   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        11   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        12   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        13   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        14   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        15   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        16   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        17   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        18   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        19   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        20   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        21   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        22   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        23   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        24   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        25   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        26   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        27   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        28   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        29   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        30   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        31   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        32   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        33   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        34   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        35   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        36   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        37   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        38   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        39   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        40   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        41   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        42   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        43   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        44   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        45   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        46   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        47   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        48   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        49   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        50   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        51   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        52   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        53   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        54   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        55   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        56   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        57   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        58   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        59   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        60   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        61   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        62   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        63   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        64   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        65   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        66   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        67   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        68   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        69   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        70   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        71   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        72   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        73   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        74   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        75   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        76   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        77   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        78   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        79   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        80   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        81   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        82   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        83   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        84   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        85   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        86   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        87   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        88   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        89   1   .   .   .   .   .   .   .   2.50   parsed_2mur   1   
        90   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        91   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        92   1   .   .   .   .   .   .   .   3.50   parsed_2mur   1   
        93   1   .   .   .   .   .   .   .   4.00   parsed_2mur   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   "hydrogen bonds"    1   1   1   16   parsed_2mur   1   
    stop_

save_





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