NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type subtype subsubtype item_count
38546 1rot cing recoord 2-parsed STAR distance hydrogen bond simple 92


data_1rot_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1rot 
    _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_1rot   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1rot 
    _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   1rot   "Master copy"    parsed_1rot   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1rot 
    _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   1rot.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1rot   1   
        1   1rot.mr   .   .    DISCOVER      2    stereochemistry           prochirality       "Not applicable"     0   parsed_1rot   1   
        1   1rot.mr   .   .    DISCOVER      3    distance                 "hydrogen bond"      simple             92   parsed_1rot   1   
        1   1rot.mr   .   .    DISCOVER      4    distance                  NOE                 simple              0   parsed_1rot   1   
        1   1rot.mr   .   .    DISCOVER      5    stereochemistry           chirality          "Not applicable"     0   parsed_1rot   1   
        1   1rot.mr   .   .    DISCOVER      6   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1rot   1   
        1   1rot.mr   .   .    n/a           7    comment                  "Not applicable"    "Not applicable"     0   parsed_1rot   1   
        1   1rot.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1rot   1   
    stop_

save_


save_Discover_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1rot 
    _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_1rot   1   
         2   1   .   .   .   parsed_1rot   1   
         3   1   .   .   .   parsed_1rot   1   
         4   1   .   .   .   parsed_1rot   1   
         5   1   .   .   .   parsed_1rot   1   
         6   1   .   .   .   parsed_1rot   1   
         7   1   .   .   .   parsed_1rot   1   
         8   1   .   .   .   parsed_1rot   1   
         9   1   .   .   .   parsed_1rot   1   
        10   1   .   .   .   parsed_1rot   1   
        11   1   .   .   .   parsed_1rot   1   
        12   1   .   .   .   parsed_1rot   1   
        13   1   .   .   .   parsed_1rot   1   
        14   1   .   .   .   parsed_1rot   1   
        15   1   .   .   .   parsed_1rot   1   
        16   1   .   .   .   parsed_1rot   1   
        17   1   .   .   .   parsed_1rot   1   
        18   1   .   .   .   parsed_1rot   1   
        19   1   .   .   .   parsed_1rot   1   
        20   1   .   .   .   parsed_1rot   1   
        21   1   .   .   .   parsed_1rot   1   
        22   1   .   .   .   parsed_1rot   1   
        23   1   .   .   .   parsed_1rot   1   
        24   1   .   .   .   parsed_1rot   1   
        25   1   .   .   .   parsed_1rot   1   
        26   1   .   .   .   parsed_1rot   1   
        27   1   .   .   .   parsed_1rot   1   
        28   1   .   .   .   parsed_1rot   1   
        29   1   .   .   .   parsed_1rot   1   
        30   1   .   .   .   parsed_1rot   1   
        31   1   .   .   .   parsed_1rot   1   
        32   1   .   .   .   parsed_1rot   1   
        33   1   .   .   .   parsed_1rot   1   
        34   1   .   .   .   parsed_1rot   1   
        35   1   .   .   .   parsed_1rot   1   
        36   1   .   .   .   parsed_1rot   1   
        37   1   .   .   .   parsed_1rot   1   
        38   1   .   .   .   parsed_1rot   1   
        39   1   .   .   .   parsed_1rot   1   
        40   1   .   .   .   parsed_1rot   1   
        41   1   .   .   .   parsed_1rot   1   
        42   1   .   .   .   parsed_1rot   1   
        43   1   .   .   .   parsed_1rot   1   
        44   1   .   .   .   parsed_1rot   1   
        45   1   .   .   .   parsed_1rot   1   
        46   1   .   .   .   parsed_1rot   1   
        47   1   .   .   .   parsed_1rot   1   
        48   1   .   .   .   parsed_1rot   1   
        49   1   .   .   .   parsed_1rot   1   
        50   1   .   .   .   parsed_1rot   1   
        51   1   .   .   .   parsed_1rot   1   
        52   1   .   .   .   parsed_1rot   1   
        53   1   .   .   .   parsed_1rot   1   
        54   1   .   .   .   parsed_1rot   1   
        55   1   .   .   .   parsed_1rot   1   
        56   1   .   .   .   parsed_1rot   1   
        57   1   .   .   .   parsed_1rot   1   
        58   1   .   .   .   parsed_1rot   1   
        59   1   .   .   .   parsed_1rot   1   
        60   1   .   .   .   parsed_1rot   1   
        61   1   .   .   .   parsed_1rot   1   
        62   1   .   .   .   parsed_1rot   1   
        63   1   .   .   .   parsed_1rot   1   
        64   1   .   .   .   parsed_1rot   1   
        65   1   .   .   .   parsed_1rot   1   
        66   1   .   .   .   parsed_1rot   1   
        67   1   .   .   .   parsed_1rot   1   
        68   1   .   .   .   parsed_1rot   1   
        69   1   .   .   .   parsed_1rot   1   
        70   1   .   .   .   parsed_1rot   1   
        71   1   .   .   .   parsed_1rot   1   
        72   1   .   .   .   parsed_1rot   1   
        73   1   .   .   .   parsed_1rot   1   
        74   1   .   .   .   parsed_1rot   1   
        75   1   .   .   .   parsed_1rot   1   
        76   1   .   .   .   parsed_1rot   1   
        77   1   .   .   .   parsed_1rot   1   
        78   1   .   .   .   parsed_1rot   1   
        79   1   .   .   .   parsed_1rot   1   
        80   1   .   .   .   parsed_1rot   1   
        81   1   .   .   .   parsed_1rot   1   
        82   1   .   .   .   parsed_1rot   1   
        83   1   .   .   .   parsed_1rot   1   
        84   1   .   .   .   parsed_1rot   1   
        85   1   .   .   .   parsed_1rot   1   
        86   1   .   .   .   parsed_1rot   1   
        87   1   .   .   .   parsed_1rot   1   
        88   1   .   .   .   parsed_1rot   1   
        89   1   .   .   .   parsed_1rot   1   
        90   1   .   .   .   parsed_1rot   1   
        91   1   .   .   .   parsed_1rot   1   
        92   1   .   .   .   parsed_1rot   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    24   ILE    O     parsed_1rot   1   
         1   1   2   .   .   .   .   .   .   .   .   1    32   VAL    HN    parsed_1rot   1   
         2   1   1   .   .   .   .   .   .   .   .   1    24   ILE    O     parsed_1rot   1   
         2   1   2   .   .   .   .   .   .   .   .   1    32   VAL    N     parsed_1rot   1   
         3   1   1   .   .   .   .   .   .   .   .   1    32   VAL    O     parsed_1rot   1   
         3   1   2   .   .   .   .   .   .   .   .   1    24   ILE    N     parsed_1rot   1   
         4   1   1   .   .   .   .   .   .   .   .   1    32   VAL    O     parsed_1rot   1   
         4   1   2   .   .   .   .   .   .   .   .   1    24   ILE    HN    parsed_1rot   1   
         5   1   1   .   .   .   .   .   .   .   .   1    31   GLY    O     parsed_1rot   1   
         5   1   2   .   .   .   .   .   .   .   .   1   107   LYS    HN    parsed_1rot   1   
         6   1   1   .   .   .   .   .   .   .   .   1    22   VAL    O     parsed_1rot   1   
         6   1   2   .   .   .   .   .   .   .   .   1    34   LYS    N     parsed_1rot   1   
         7   1   1   .   .   .   .   .   .   .   .   1    22   VAL    O     parsed_1rot   1   
         7   1   2   .   .   .   .   .   .   .   .   1    34   LYS    HN    parsed_1rot   1   
         8   1   1   .   .   .   .   .   .   .   .   1    31   GLY    O     parsed_1rot   1   
         8   1   2   .   .   .   .   .   .   .   .   1   107   LYS    N     parsed_1rot   1   
         9   1   1   .   .   .   .   .   .   .   .   1   105   THR    O     parsed_1rot   1   
         9   1   2   .   .   .   .   .   .   .   .   1    33   LEU    HN    parsed_1rot   1   
        10   1   1   .   .   .   .   .   .   .   .   1   105   THR    O     parsed_1rot   1   
        10   1   2   .   .   .   .   .   .   .   .   1    33   LEU    N     parsed_1rot   1   
        11   1   1   .   .   .   .   .   .   .   .   1    33   LEU    O     parsed_1rot   1   
        11   1   2   .   .   .   .   .   .   .   .   1   105   THR    HN    parsed_1rot   1   
        12   1   1   .   .   .   .   .   .   .   .   1    33   LEU    O     parsed_1rot   1   
        12   1   2   .   .   .   .   .   .   .   .   1   105   THR    N     parsed_1rot   1   
        13   1   1   .   .   .   .   .   .   .   .   1    35   VAL    O     parsed_1rot   1   
        13   1   2   .   .   .   .   .   .   .   .   1   103   ARG    HN    parsed_1rot   1   
        14   1   1   .   .   .   .   .   .   .   .   1    35   VAL    O     parsed_1rot   1   
        14   1   2   .   .   .   .   .   .   .   .   1   103   ARG    N     parsed_1rot   1   
        15   1   1   .   .   .   .   .   .   .   .   1   103   ARG    O     parsed_1rot   1   
        15   1   2   .   .   .   .   .   .   .   .   1    35   VAL    HN    parsed_1rot   1   
        16   1   1   .   .   .   .   .   .   .   .   1   103   ARG    O     parsed_1rot   1   
        16   1   2   .   .   .   .   .   .   .   .   1    35   VAL    N     parsed_1rot   1   
        17   1   1   .   .   .   .   .   .   .   .   1   101   LEU    O     parsed_1rot   1   
        17   1   2   .   .   .   .   .   .   .   .   1    37   LYS    HN    parsed_1rot   1   
        18   1   1   .   .   .   .   .   .   .   .   1   101   LEU    O     parsed_1rot   1   
        18   1   2   .   .   .   .   .   .   .   .   1    37   LYS    N     parsed_1rot   1   
        19   1   1   .   .   .   .   .   .   .   .   1    38   ARG    O     parsed_1rot   1   
        19   1   2   .   .   .   .   .   .   .   .   1   101   LEU    HN    parsed_1rot   1   
        20   1   1   .   .   .   .   .   .   .   .   1    38   ARG    O     parsed_1rot   1   
        20   1   2   .   .   .   .   .   .   .   .   1   101   LEU    N     parsed_1rot   1   
        21   1   1   .   .   .   .   .   .   .   .   1    47   MET    O     parsed_1rot   1   
        21   1   2   .   .   .   .   .   .   .   .   1    50   ASP    HN    parsed_1rot   1   
        22   1   1   .   .   .   .   .   .   .   .   1    50   ASP    OD1   parsed_1rot   1   
        22   1   2   .   .   .   .   .   .   .   .   1    47   MET    HN    parsed_1rot   1   
        23   1   1   .   .   .   .   .   .   .   .   1    50   ASP    OD1   parsed_1rot   1   
        23   1   2   .   .   .   .   .   .   .   .   1    47   MET    N     parsed_1rot   1   
        24   1   1   .   .   .   .   .   .   .   .   1    47   MET    O     parsed_1rot   1   
        24   1   2   .   .   .   .   .   .   .   .   1    50   ASP    N     parsed_1rot   1   
        25   1   1   .   .   .   .   .   .   .   .   1   106   CYSH   O     parsed_1rot   1   
        25   1   2   .   .   .   .   .   .   .   .   1   127   LEU    HN    parsed_1rot   1   
        26   1   1   .   .   .   .   .   .   .   .   1   106   CYSH   O     parsed_1rot   1   
        26   1   2   .   .   .   .   .   .   .   .   1   127   LEU    N     parsed_1rot   1   
        27   1   1   .   .   .   .   .   .   .   .   1   127   LEU    O     parsed_1rot   1   
        27   1   2   .   .   .   .   .   .   .   .   1   106   CYSH   HN    parsed_1rot   1   
        28   1   1   .   .   .   .   .   .   .   .   1   127   LEU    O     parsed_1rot   1   
        28   1   2   .   .   .   .   .   .   .   .   1   106   CYSH   N     parsed_1rot   1   
        29   1   1   .   .   .   .   .   .   .   .   1   104   ILE    O     parsed_1rot   1   
        29   1   2   .   .   .   .   .   .   .   .   1   129   PHE    HN    parsed_1rot   1   
        30   1   1   .   .   .   .   .   .   .   .   1   104   ILE    O     parsed_1rot   1   
        30   1   2   .   .   .   .   .   .   .   .   1   129   PHE    N     parsed_1rot   1   
        31   1   1   .   .   .   .   .   .   .   .   1   129   PHE    O     parsed_1rot   1   
        31   1   2   .   .   .   .   .   .   .   .   1   104   ILE    HN    parsed_1rot   1   
        32   1   1   .   .   .   .   .   .   .   .   1   129   PHE    O     parsed_1rot   1   
        32   1   2   .   .   .   .   .   .   .   .   1   104   ILE    N     parsed_1rot   1   
        33   1   1   .   .   .   .   .   .   .   .   1   102   CYSH   O     parsed_1rot   1   
        33   1   2   .   .   .   .   .   .   .   .   1   131   VAL    HN    parsed_1rot   1   
        34   1   1   .   .   .   .   .   .   .   .   1   102   CYSH   O     parsed_1rot   1   
        34   1   2   .   .   .   .   .   .   .   .   1   131   VAL    N     parsed_1rot   1   
        35   1   1   .   .   .   .   .   .   .   .   1   131   VAL    O     parsed_1rot   1   
        35   1   2   .   .   .   .   .   .   .   .   1   102   CYSH   HN    parsed_1rot   1   
        36   1   1   .   .   .   .   .   .   .   .   1   131   VAL    O     parsed_1rot   1   
        36   1   2   .   .   .   .   .   .   .   .   1   102   CYSH   N     parsed_1rot   1   
        37   1   1   .   .   .   .   .   .   .   .   1   100   GLU    O     parsed_1rot   1   
        37   1   2   .   .   .   .   .   .   .   .   1   133   LEU    HN    parsed_1rot   1   
        38   1   1   .   .   .   .   .   .   .   .   1   100   GLU    O     parsed_1rot   1   
        38   1   2   .   .   .   .   .   .   .   .   1   133   LEU    N     parsed_1rot   1   
        39   1   1   .   .   .   .   .   .   .   .   1   133   LEU    O     parsed_1rot   1   
        39   1   2   .   .   .   .   .   .   .   .   1    99   GLY    HN    parsed_1rot   1   
        40   1   1   .   .   .   .   .   .   .   .   1   133   LEU    O     parsed_1rot   1   
        40   1   2   .   .   .   .   .   .   .   .   1    99   GLY    N     parsed_1rot   1   
        41   1   1   .   .   .   .   .   .   .   .   1    59   TRP    O     parsed_1rot   1   
        41   1   2   .   .   .   .   .   .   .   .   1   128   VAL    HN    parsed_1rot   1   
        42   1   1   .   .   .   .   .   .   .   .   1    59   TRP    O     parsed_1rot   1   
        42   1   2   .   .   .   .   .   .   .   .   1   128   VAL    N     parsed_1rot   1   
        43   1   1   .   .   .   .   .   .   .   .   1   128   VAL    O     parsed_1rot   1   
        43   1   2   .   .   .   .   .   .   .   .   1    59   TRP    HN    parsed_1rot   1   
        44   1   1   .   .   .   .   .   .   .   .   1   128   VAL    O     parsed_1rot   1   
        44   1   2   .   .   .   .   .   .   .   .   1    59   TRP    N     parsed_1rot   1   
        45   1   1   .   .   .   .   .   .   .   .   1    57   THR    O     parsed_1rot   1   
        45   1   2   .   .   .   .   .   .   .   .   1   130   GLU    HN    parsed_1rot   1   
        46   1   1   .   .   .   .   .   .   .   .   1    57   THR    O     parsed_1rot   1   
        46   1   2   .   .   .   .   .   .   .   .   1   130   GLU    N     parsed_1rot   1   
        47   1   1   .   .   .   .   .   .   .   .   1   130   GLU    O     parsed_1rot   1   
        47   1   2   .   .   .   .   .   .   .   .   1    57   THR    HN    parsed_1rot   1   
        48   1   1   .   .   .   .   .   .   .   .   1   130   GLU    O     parsed_1rot   1   
        48   1   2   .   .   .   .   .   .   .   .   1    57   THR    N     parsed_1rot   1   
        49   1   1   .   .   .   .   .   .   .   .   1    55   HIS    O     parsed_1rot   1   
        49   1   2   .   .   .   .   .   .   .   .   1   132   GLU    HN    parsed_1rot   1   
        50   1   1   .   .   .   .   .   .   .   .   1    55   HIS    O     parsed_1rot   1   
        50   1   2   .   .   .   .   .   .   .   .   1   132   GLU    N     parsed_1rot   1   
        51   1   1   .   .   .   .   .   .   .   .   1   132   GLU    O     parsed_1rot   1   
        51   1   2   .   .   .   .   .   .   .   .   1    55   HIS    HN    parsed_1rot   1   
        52   1   1   .   .   .   .   .   .   .   .   1   132   GLU    O     parsed_1rot   1   
        52   1   2   .   .   .   .   .   .   .   .   1    55   HIS    N     parsed_1rot   1   
        53   1   1   .   .   .   .   .   .   .   .   1   135   GLU    O     parsed_1rot   1   
        53   1   2   .   .   .   .   .   .   .   .   1    53   PHE    HN    parsed_1rot   1   
        54   1   1   .   .   .   .   .   .   .   .   1   135   GLU    O     parsed_1rot   1   
        54   1   2   .   .   .   .   .   .   .   .   1    53   PHE    N     parsed_1rot   1   
        55   1   1   .   .   .   .   .   .   .   .   1    64   THR    O     parsed_1rot   1   
        55   1   2   .   .   .   .   .   .   .   .   1    60   LEU    HN    parsed_1rot   1   
        56   1   1   .   .   .   .   .   .   .   .   1    64   THR    O     parsed_1rot   1   
        56   1   2   .   .   .   .   .   .   .   .   1    60   LEU    N     parsed_1rot   1   
        57   1   1   .   .   .   .   .   .   .   .   1    54   VAL    O     parsed_1rot   1   
        57   1   2   .   .   .   .   .   .   .   .   1    76   PHE    HN    parsed_1rot   1   
        58   1   1   .   .   .   .   .   .   .   .   1    54   VAL    O     parsed_1rot   1   
        58   1   2   .   .   .   .   .   .   .   .   1    76   PHE    N     parsed_1rot   1   
        59   1   1   .   .   .   .   .   .   .   .   1    76   PHE    O     parsed_1rot   1   
        59   1   2   .   .   .   .   .   .   .   .   1    54   VAL    HN    parsed_1rot   1   
        60   1   1   .   .   .   .   .   .   .   .   1    76   PHE    O     parsed_1rot   1   
        60   1   2   .   .   .   .   .   .   .   .   1    54   VAL    N     parsed_1rot   1   
        61   1   1   .   .   .   .   .   .   .   .   1    52   VAL    O     parsed_1rot   1   
        61   1   2   .   .   .   .   .   .   .   .   1    78   PHE    HN    parsed_1rot   1   
        62   1   1   .   .   .   .   .   .   .   .   1    52   VAL    O     parsed_1rot   1   
        62   1   2   .   .   .   .   .   .   .   .   1    78   PHE    N     parsed_1rot   1   
        63   1   1   .   .   .   .   .   .   .   .   1    78   PHE    O     parsed_1rot   1   
        63   1   2   .   .   .   .   .   .   .   .   1    52   VAL    HN    parsed_1rot   1   
        64   1   1   .   .   .   .   .   .   .   .   1    78   PHE    O     parsed_1rot   1   
        64   1   2   .   .   .   .   .   .   .   .   1    52   VAL    N     parsed_1rot   1   
        65   1   1   .   .   .   .   .   .   .   .   1    50   ASP    O     parsed_1rot   1   
        65   1   2   .   .   .   .   .   .   .   .   1    80   LEU    HN    parsed_1rot   1   
        66   1   1   .   .   .   .   .   .   .   .   1    50   ASP    O     parsed_1rot   1   
        66   1   2   .   .   .   .   .   .   .   .   1    80   LEU    N     parsed_1rot   1   
        67   1   1   .   .   .   .   .   .   .   .   1    80   LEU    O     parsed_1rot   1   
        67   1   2   .   .   .   .   .   .   .   .   1    49   GLY    HN    parsed_1rot   1   
        68   1   1   .   .   .   .   .   .   .   .   1    97   LYS    O     parsed_1rot   1   
        68   1   2   .   .   .   .   .   .   .   .   1   100   GLU    N     parsed_1rot   1   
        69   1   1   .   .   .   .   .   .   .   .   1    87   LYS    O     parsed_1rot   1   
        69   1   2   .   .   .   .   .   .   .   .   1    91   ILE    HN    parsed_1rot   1   
        70   1   1   .   .   .   .   .   .   .   .   1    87   LYS    O     parsed_1rot   1   
        70   1   2   .   .   .   .   .   .   .   .   1    91   ILE    N     parsed_1rot   1   
        71   1   1   .   .   .   .   .   .   .   .   1    88   ALA    O     parsed_1rot   1   
        71   1   2   .   .   .   .   .   .   .   .   1    92   ALA    HN    parsed_1rot   1   
        72   1   1   .   .   .   .   .   .   .   .   1    88   ALA    O     parsed_1rot   1   
        72   1   2   .   .   .   .   .   .   .   .   1    92   ALA    N     parsed_1rot   1   
        73   1   1   .   .   .   .   .   .   .   .   1    89   TRP    O     parsed_1rot   1   
        73   1   2   .   .   .   .   .   .   .   .   1    93   VAL    HN    parsed_1rot   1   
        74   1   1   .   .   .   .   .   .   .   .   1    89   TRP    O     parsed_1rot   1   
        74   1   2   .   .   .   .   .   .   .   .   1    93   VAL    N     parsed_1rot   1   
        75   1   1   .   .   .   .   .   .   .   .   1    86   ILE    O     parsed_1rot   1   
        75   1   2   .   .   .   .   .   .   .   .   1    89   TRP    N     parsed_1rot   1   
        76   1   1   .   .   .   .   .   .   .   .   1    86   ILE    O     parsed_1rot   1   
        76   1   2   .   .   .   .   .   .   .   .   1    89   TRP    HN    parsed_1rot   1   
        77   1   1   .   .   .   .   .   .   .   .   1    86   ILE    O     parsed_1rot   1   
        77   1   2   .   .   .   .   .   .   .   .   1    90   ASP    HN    parsed_1rot   1   
        78   1   1   .   .   .   .   .   .   .   .   1    86   ILE    O     parsed_1rot   1   
        78   1   2   .   .   .   .   .   .   .   .   1    90   ASP    N     parsed_1rot   1   
        79   1   1   .   .   .   .   .   .   .   .   1    90   ASP    O     parsed_1rot   1   
        79   1   2   .   .   .   .   .   .   .   .   1    94   ALA    HN    parsed_1rot   1   
        80   1   1   .   .   .   .   .   .   .   .   1    90   ASP    O     parsed_1rot   1   
        80   1   2   .   .   .   .   .   .   .   .   1    94   ALA    N     parsed_1rot   1   
        81   1   1   .   .   .   .   .   .   .   .   1    91   ILE    O     parsed_1rot   1   
        81   1   2   .   .   .   .   .   .   .   .   1    95   THR    HN    parsed_1rot   1   
        82   1   1   .   .   .   .   .   .   .   .   1    91   ILE    O     parsed_1rot   1   
        82   1   2   .   .   .   .   .   .   .   .   1    95   THR    N     parsed_1rot   1   
        83   1   1   .   .   .   .   .   .   .   .   1    93   VAL    O     parsed_1rot   1   
        83   1   2   .   .   .   .   .   .   .   .   1    96   MET    HN    parsed_1rot   1   
        84   1   1   .   .   .   .   .   .   .   .   1    93   VAL    O     parsed_1rot   1   
        84   1   2   .   .   .   .   .   .   .   .   1    96   MET    N     parsed_1rot   1   
        85   1   1   .   .   .   .   .   .   .   .   1    44   GLU    O     parsed_1rot   1   
        85   1   2   .   .   .   .   .   .   .   .   1    98   VAL    HN    parsed_1rot   1   
        86   1   1   .   .   .   .   .   .   .   .   1    44   GLU    O     parsed_1rot   1   
        86   1   2   .   .   .   .   .   .   .   .   1    98   VAL    N     parsed_1rot   1   
        87   1   1   .   .   .   .   .   .   .   .   1   108   PRO    O     parsed_1rot   1   
        87   1   2   .   .   .   .   .   .   .   .   1   111   ALA    HN    parsed_1rot   1   
        88   1   1   .   .   .   .   .   .   .   .   1   108   PRO    O     parsed_1rot   1   
        88   1   2   .   .   .   .   .   .   .   .   1   111   ALA    N     parsed_1rot   1   
        89   1   1   .   .   .   .   .   .   .   .   1   107   LYS    O     parsed_1rot   1   
        89   1   2   .   .   .   .   .   .   .   .   1   110   TYR    HN    parsed_1rot   1   
        90   1   1   .   .   .   .   .   .   .   .   1   107   LYS    O     parsed_1rot   1   
        90   1   2   .   .   .   .   .   .   .   .   1   110   TYR    N     parsed_1rot   1   
        91   1   1   .   .   .   .   .   .   .   .   1   101   LEU    O     parsed_1rot   1   
        91   1   2   .   .   .   .   .   .   .   .   1    38   ARG    HN    parsed_1rot   1   
        92   1   1   .   .   .   .   .   .   .   .   1   101   LEU    O     parsed_1rot   1   
        92   1   2   .   .   .   .   .   .   .   .   1    38   ARG    N     parsed_1rot   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   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
         2   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
         3   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
         4   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
         5   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
         6   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
         7   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
         8   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
         9   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        10   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        11   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        12   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        13   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        14   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        15   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        16   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        17   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        18   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        19   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        20   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        21   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        22   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        23   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        24   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        25   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        26   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        27   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        28   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        29   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        30   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        31   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        32   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        33   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        34   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        35   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        36   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        37   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        38   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        39   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        40   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        41   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        42   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        43   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        44   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        45   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        46   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        47   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        48   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        49   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        50   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        51   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        52   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        53   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        54   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        55   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        56   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        57   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        58   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        59   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        60   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        61   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        62   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        63   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        64   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        65   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        66   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        67   1   .   .   .   .   .   .   1.800   3.000   parsed_1rot   1   
        68   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        69   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        70   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        71   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        72   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        73   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        74   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        75   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        76   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        77   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        78   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        79   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        80   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        81   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        82   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        83   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        84   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        85   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        86   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        87   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        88   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        89   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        90   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   1   
        91   1   .   .   .   .   .   .   1.800   2.300   parsed_1rot   1   
        92   1   .   .   .   .   .   .   2.500   3.300   parsed_1rot   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    distance                                                                      1   1    1    9   parsed_1rot   1   
        2   
;
1:LEU_60:O	   1:GLY_63:HN         1.800  2.300  1.00  1.00 1000.000
1:LEU_60:O        1:GLY_63:N          2.500  3.300  1.00  1.00 1000.000
;
   58   1   59   72   parsed_1rot   1   
        3   "1:LYS_97:O         1:GLU_100:HN        1.800  2.300  1.00  1.00 1000.000"    71   1   71   73   parsed_1rot   1   
    stop_

save_





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