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 item_count
530034 2la0 17495 cing 2-parsed STAR entry full 131


data_2la0_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2la0 
    _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_2la0   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2la0 
    _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   2la0   "Master copy"    parsed_2la0   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2la0 
    _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   2la0.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2la0   1   
        1   2la0.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             93   parsed_2la0   1   
        1   2la0.mr   .   .    NMRView       3    peak                     "Not applicable"    "Not applicable"     0   parsed_2la0   1   
        1   2la0.mr   .   .    NMRView       4    peak                     "Not applicable"    "Not applicable"     0   parsed_2la0   1   
        1   2la0.mr   .   .    DYANA/DIANA   5   "coupling constant"       "Not applicable"    "Not applicable"     0   parsed_2la0   1   
        1   2la0.mr   .   .    DYANA/DIANA   6   "dihedral angle"          "Not applicable"    "Not applicable"    38   parsed_2la0   1   
        1   2la0.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2la0   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_2la0 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER    ANTIMICROBIAL PROTEIN                   27-FEB-11   2LA0              
*TITLE     TRN- PEPTIDE OF THE TWO-COMPONENT BACTERIOCIN THURICIN CD             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 20-49                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS 95/8201;                        
*SOURCE   3 ORGANISM_TAXID: 526979;                                              
*SOURCE   4 STRAIN: DPC 6431                                                     
*KEYWDS    THIOETHER BRIDGES, HELICAL LOOPS, CROSSLINKED, POST-TRANSLATIONALLY   
*KEYWDS   2 MODIFIED, ANTIMICROBIAL PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.S.SIT, R.T.MCKAY, C.HILL, R.P.ROSS, J.C.VEDERAS                     
*REVDAT   2   01-FEB-12 2LA0    1                                                
*REVDAT   1   11-JAN-12 2LA0    0                                                

;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2la0 
    _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_2la0   1   
         2   1   .   .   .   parsed_2la0   1   
         3   1   .   .   .   parsed_2la0   1   
         4   1   .   .   .   parsed_2la0   1   
         5   1   .   .   .   parsed_2la0   1   
         6   1   .   .   .   parsed_2la0   1   
         7   1   .   .   .   parsed_2la0   1   
         8   1   .   .   .   parsed_2la0   1   
         9   1   .   .   .   parsed_2la0   1   
        10   1   .   .   .   parsed_2la0   1   
        11   1   .   .   .   parsed_2la0   1   
        12   1   .   .   .   parsed_2la0   1   
        13   1   .   .   .   parsed_2la0   1   
        14   1   .   .   .   parsed_2la0   1   
        15   1   .   .   .   parsed_2la0   1   
        16   1   .   .   .   parsed_2la0   1   
        17   1   .   .   .   parsed_2la0   1   
        18   1   .   .   .   parsed_2la0   1   
        19   1   .   .   .   parsed_2la0   1   
        20   1   .   .   .   parsed_2la0   1   
        21   1   .   .   .   parsed_2la0   1   
        22   1   .   .   .   parsed_2la0   1   
        23   1   .   .   .   parsed_2la0   1   
        24   1   .   .   .   parsed_2la0   1   
        25   1   .   .   .   parsed_2la0   1   
        26   1   .   .   .   parsed_2la0   1   
        27   1   .   .   .   parsed_2la0   1   
        28   1   .   .   .   parsed_2la0   1   
        29   1   .   .   .   parsed_2la0   1   
        30   1   .   .   .   parsed_2la0   1   
        31   1   .   .   .   parsed_2la0   1   
        32   1   .   .   .   parsed_2la0   1   
        33   1   .   .   .   parsed_2la0   1   
        34   1   .   .   .   parsed_2la0   1   
        35   1   .   .   .   parsed_2la0   1   
        36   1   .   .   .   parsed_2la0   1   
        37   1   .   .   .   parsed_2la0   1   
        38   1   .   .   .   parsed_2la0   1   
        39   1   .   .   .   parsed_2la0   1   
        40   1   .   .   .   parsed_2la0   1   
        41   1   .   .   .   parsed_2la0   1   
        42   1   .   .   .   parsed_2la0   1   
        43   1   .   .   .   parsed_2la0   1   
        44   1   .   .   .   parsed_2la0   1   
        45   1   .   .   .   parsed_2la0   1   
        46   1   .   .   .   parsed_2la0   1   
        47   1   .   .   .   parsed_2la0   1   
        48   1   .   .   .   parsed_2la0   1   
        49   1   .   .   .   parsed_2la0   1   
        50   1   .   .   .   parsed_2la0   1   
        51   1   .   .   .   parsed_2la0   1   
        52   1   .   .   .   parsed_2la0   1   
        53   1   .   .   .   parsed_2la0   1   
        54   1   .   .   .   parsed_2la0   1   
        55   1   .   .   .   parsed_2la0   1   
        56   1   .   .   .   parsed_2la0   1   
        57   1   .   .   .   parsed_2la0   1   
        58   1   .   .   .   parsed_2la0   1   
        59   1   .   .   .   parsed_2la0   1   
        60   1   .   .   .   parsed_2la0   1   
        61   1   .   .   .   parsed_2la0   1   
        62   1   .   .   .   parsed_2la0   1   
        63   1   .   .   .   parsed_2la0   1   
        64   1   .   .   .   parsed_2la0   1   
        65   1   .   .   .   parsed_2la0   1   
        66   1   .   .   .   parsed_2la0   1   
        67   1   .   .   .   parsed_2la0   1   
        68   1   .   .   .   parsed_2la0   1   
        69   1   .   .   .   parsed_2la0   1   
        70   1   .   .   .   parsed_2la0   1   
        71   1   .   .   .   parsed_2la0   1   
        72   1   .   .   .   parsed_2la0   1   
        73   1   .   .   .   parsed_2la0   1   
        74   1   .   .   .   parsed_2la0   1   
        75   1   .   .   .   parsed_2la0   1   
        76   1   .   .   .   parsed_2la0   1   
        77   1   .   .   .   parsed_2la0   1   
        78   1   .   .   .   parsed_2la0   1   
        79   1   .   .   .   parsed_2la0   1   
        80   1   .   .   .   parsed_2la0   1   
        81   1   .   .   .   parsed_2la0   1   
        82   1   .   .   .   parsed_2la0   1   
        83   1   .   .   .   parsed_2la0   1   
        84   1   .   .   .   parsed_2la0   1   
        85   1   .   .   .   parsed_2la0   1   
        86   1   .   .   .   parsed_2la0   1   
        87   1   .   .   .   parsed_2la0   1   
        88   1   .   .   .   parsed_2la0   1   
        89   1   .   .   .   parsed_2la0   1   
        90   1   .   .   .   parsed_2la0   1   
        91   1   .   .   .   parsed_2la0   1   
        92   1   .   .   .   parsed_2la0   1   
        93   1   .   .   .   parsed_2la0   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   .   .   .   .   .   .   .   .   .   19   VAL    HB    parsed_2la0   1   
         1   1   2   .   .   .   .   .   .   .   .   .   20   GLY    HN    parsed_2la0   1   
         2   1   1   .   .   .   .   .   .   .   .   .   28   DTYR   HN    parsed_2la0   1   
         2   1   2   .   .   .   .   .   .   .   .   .   28   DTYR   HB1   parsed_2la0   1   
         3   1   1   .   .   .   .   .   .   .   .   .    8   ALA    HN    parsed_2la0   1   
         3   1   2   .   .   .   .   .   .   .   .   .    8   ALA    MB    parsed_2la0   1   
         4   1   1   .   .   .   .   .   .   .   .   .   21   MTHR   HN    parsed_2la0   1   
         4   1   2   .   .   .   .   .   .   .   .   .   21   MTHR   HB    parsed_2la0   1   
         5   1   1   .   .   .   .   .   .   .   .   .   25   MALA   HN    parsed_2la0   1   
         5   1   2   .   .   .   .   .   .   .   .   .   25   MALA   MB    parsed_2la0   1   
         6   1   1   .   .   .   .   .   .   .   .   .   24   ALA    MB    parsed_2la0   1   
         6   1   2   .   .   .   .   .   .   .   .   .   25   MALA   HN    parsed_2la0   1   
         7   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HB    parsed_2la0   1   
         7   1   2   .   .   .   .   .   .   .   .   .   13   CYSS   HN    parsed_2la0   1   
         8   1   1   .   .   .   .   .   .   .   .   .   15   ALA    HN    parsed_2la0   1   
         8   1   2   .   .   .   .   .   .   .   .   .   15   ALA    MB    parsed_2la0   1   
         9   1   1   .   .   .   .   .   .   .   .   .   19   VAL    HN    parsed_2la0   1   
         9   1   2   .   .   .   .   .   .   .   .   .   19   VAL    HB    parsed_2la0   1   
        10   1   1   .   .   .   .   .   .   .   .   .   23   PHE    QB    parsed_2la0   1   
        10   1   2   .   .   .   .   .   .   .   .   .   24   ALA    HN    parsed_2la0   1   
        11   1   1   .   .   .   .   .   .   .   .   .   24   ALA    HN    parsed_2la0   1   
        11   1   2   .   .   .   .   .   .   .   .   .   24   ALA    MB    parsed_2la0   1   
        12   1   1   .   .   .   .   .   .   .   .   .   11   THR    HB    parsed_2la0   1   
        12   1   2   .   .   .   .   .   .   .   .   .   12   VAL    HN    parsed_2la0   1   
        13   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HN    parsed_2la0   1   
        13   1   2   .   .   .   .   .   .   .   .   .   12   VAL    HB    parsed_2la0   1   
        14   1   1   .   .   .   .   .   .   .   .   .    3   VAL    HN    parsed_2la0   1   
        14   1   2   .   .   .   .   .   .   .   .   .    3   VAL    HB    parsed_2la0   1   
        15   1   1   .   .   .   .   .   .   .   .   .   25   MALA   MB    parsed_2la0   1   
        15   1   2   .   .   .   .   .   .   .   .   .   26   ALA    HN    parsed_2la0   1   
        16   1   1   .   .   .   .   .   .   .   .   .   26   ALA    HN    parsed_2la0   1   
        16   1   2   .   .   .   .   .   .   .   .   .   26   ALA    MB    parsed_2la0   1   
        17   1   1   .   .   .   .   .   .   .   .   .    5   CYSS   HB1   parsed_2la0   1   
        17   1   2   .   .   .   .   .   .   .   .   .    6   VAL    HN    parsed_2la0   1   
        18   1   1   .   .   .   .   .   .   .   .   .   14   LEU    HN    parsed_2la0   1   
        18   1   2   .   .   .   .   .   .   .   .   .   14   LEU    HB1   parsed_2la0   1   
        19   1   1   .   .   .   .   .   .   .   .   .   14   LEU    HN    parsed_2la0   1   
        19   1   2   .   .   .   .   .   .   .   .   .   14   LEU    HG    parsed_2la0   1   
        20   1   1   .   .   .   .   .   .   .   .   .    6   VAL    HN    parsed_2la0   1   
        20   1   2   .   .   .   .   .   .   .   .   .    6   VAL    HB    parsed_2la0   1   
        21   1   1   .   .   .   .   .   .   .   .   .   14   LEU    HN    parsed_2la0   1   
        21   1   2   .   .   .   .   .   .   .   .   .   14   LEU    HB2   parsed_2la0   1   
        22   1   1   .   .   .   .   .   .   .   .   .   30   LEU    HN    parsed_2la0   1   
        22   1   2   .   .   .   .   .   .   .   .   .   30   LEU    HG    parsed_2la0   1   
        23   1   1   .   .   .   .   .   .   .   .   .   21   MTHR   HB    parsed_2la0   1   
        23   1   2   .   .   .   .   .   .   .   .   .   22   GLU    HN    parsed_2la0   1   
        24   1   1   .   .   .   .   .   .   .   .   .   22   GLU    HN    parsed_2la0   1   
        24   1   2   .   .   .   .   .   .   .   .   .   22   GLU    QB    parsed_2la0   1   
        25   1   1   .   .   .   .   .   .   .   .   .   23   PHE    HN    parsed_2la0   1   
        25   1   2   .   .   .   .   .   .   .   .   .   23   PHE    QB    parsed_2la0   1   
        26   1   1   .   .   .   .   .   .   .   .   .   11   THR    HN    parsed_2la0   1   
        26   1   2   .   .   .   .   .   .   .   .   .   11   THR    HB    parsed_2la0   1   
        27   1   1   .   .   .   .   .   .   .   .   .    4   ALA    MB    parsed_2la0   1   
        27   1   2   .   .   .   .   .   .   .   .   .    5   CYSS   HN    parsed_2la0   1   
        28   1   1   .   .   .   .   .   .   .   .   .   26   ALA    MB    parsed_2la0   1   
        28   1   2   .   .   .   .   .   .   .   .   .   27   SER    HN    parsed_2la0   1   
        29   1   1   .   .   .   .   .   .   .   .   .    6   VAL    HB    parsed_2la0   1   
        29   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_2la0   1   
        30   1   1   .   .   .   .   .   .   .   .   .   15   ALA    MB    parsed_2la0   1   
        30   1   2   .   .   .   .   .   .   .   .   .   16   SER    HN    parsed_2la0   1   
        31   1   1   .   .   .   .   .   .   .   .   .   19   VAL    HN    parsed_2la0   1   
        31   1   2   .   .   .   .   .   .   .   .   .   20   GLY    HN    parsed_2la0   1   
        32   1   1   .   .   .   .   .   .   .   .   .   28   DTYR   HN    parsed_2la0   1   
        32   1   2   .   .   .   .   .   .   .   .   .   29   PHE    HN    parsed_2la0   1   
        33   1   1   .   .   .   .   .   .   .   .   .    8   ALA    HN    parsed_2la0   1   
        33   1   2   .   .   .   .   .   .   .   .   .    9   CYSS   HN    parsed_2la0   1   
        34   1   1   .   .   .   .   .   .   .   .   .   20   GLY    HN    parsed_2la0   1   
        34   1   2   .   .   .   .   .   .   .   .   .   21   MTHR   HN    parsed_2la0   1   
        35   1   1   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_2la0   1   
        35   1   2   .   .   .   .   .   .   .   .   .    8   ALA    HN    parsed_2la0   1   
        36   1   1   .   .   .   .   .   .   .   .   .   18   GLY    HN    parsed_2la0   1   
        36   1   2   .   .   .   .   .   .   .   .   .   19   VAL    HN    parsed_2la0   1   
        37   1   1   .   .   .   .   .   .   .   .   .   13   CYSS   HN    parsed_2la0   1   
        37   1   2   .   .   .   .   .   .   .   .   .   14   LEU    HN    parsed_2la0   1   
        38   1   1   .   .   .   .   .   .   .   .   .   15   ALA    HN    parsed_2la0   1   
        38   1   2   .   .   .   .   .   .   .   .   .   16   SER    HN    parsed_2la0   1   
        39   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HN    parsed_2la0   1   
        39   1   2   .   .   .   .   .   .   .   .   .   13   CYSS   HN    parsed_2la0   1   
        40   1   1   .   .   .   .   .   .   .   .   .   24   ALA    HN    parsed_2la0   1   
        40   1   2   .   .   .   .   .   .   .   .   .   25   MALA   HN    parsed_2la0   1   
        41   1   1   .   .   .   .   .   .   .   .   .   25   MALA   HN    parsed_2la0   1   
        41   1   2   .   .   .   .   .   .   .   .   .   26   ALA    HN    parsed_2la0   1   
        42   1   1   .   .   .   .   .   .   .   .   .   23   PHE    HN    parsed_2la0   1   
        42   1   2   .   .   .   .   .   .   .   .   .   24   ALA    HN    parsed_2la0   1   
        43   1   1   .   .   .   .   .   .   .   .   .    6   VAL    HN    parsed_2la0   1   
        43   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN    parsed_2la0   1   
        44   1   1   .   .   .   .   .   .   .   .   .    5   CYSS   HN    parsed_2la0   1   
        44   1   2   .   .   .   .   .   .   .   .   .    6   VAL    HN    parsed_2la0   1   
        45   1   1   .   .   .   .   .   .   .   .   .   21   MTHR   HN    parsed_2la0   1   
        45   1   2   .   .   .   .   .   .   .   .   .   22   GLU    HN    parsed_2la0   1   
        46   1   1   .   .   .   .   .   .   .   .   .   22   GLU    HN    parsed_2la0   1   
        46   1   2   .   .   .   .   .   .   .   .   .   23   PHE    HN    parsed_2la0   1   
        47   1   1   .   .   .   .   .   .   .   .   .   11   THR    HN    parsed_2la0   1   
        47   1   2   .   .   .   .   .   .   .   .   .   12   VAL    HN    parsed_2la0   1   
        48   1   1   .   .   .   .   .   .   .   .   .   26   ALA    HN    parsed_2la0   1   
        48   1   2   .   .   .   .   .   .   .   .   .   27   SER    HN    parsed_2la0   1   
        49   1   1   .   .   .   .   .   .   .   .   .   16   SER    HN    parsed_2la0   1   
        49   1   2   .   .   .   .   .   .   .   .   .   17   GLY    HN    parsed_2la0   1   
        50   1   1   .   .   .   .   .   .   .   .   .   14   LEU    HN    parsed_2la0   1   
        50   1   2   .   .   .   .   .   .   .   .   .   16   SER    HN    parsed_2la0   1   
        51   1   1   .   .   .   .   .   .   .   .   .   10   GLY    HN    parsed_2la0   1   
        51   1   2   .   .   .   .   .   .   .   .   .   11   THR    HN    parsed_2la0   1   
        52   1   1   .   .   .   .   .   .   .   .   .   17   GLY    HN    parsed_2la0   1   
        52   1   2   .   .   .   .   .   .   .   .   .   18   GLY    HN    parsed_2la0   1   
        53   1   1   .   .   .   .   .   .   .   .   .    4   ALA    HN    parsed_2la0   1   
        53   1   2   .   .   .   .   .   .   .   .   .    5   CYSS   HN    parsed_2la0   1   
        54   1   1   .   .   .   .   .   .   .   .   .    9   CYSS   HN    parsed_2la0   1   
        54   1   2   .   .   .   .   .   .   .   .   .   10   GLY    HN    parsed_2la0   1   
        55   1   1   .   .   .   .   .   .   .   .   .   19   VAL    HN    parsed_2la0   1   
        55   1   2   .   .   .   .   .   .   .   .   .   21   MTHR   HN    parsed_2la0   1   
        56   1   1   .   .   .   .   .   .   .   .   .    3   VAL    HB    parsed_2la0   1   
        56   1   2   .   .   .   .   .   .   .   .   .    4   ALA    HN    parsed_2la0   1   
        57   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HA    parsed_2la0   1   
        57   1   2   .   .   .   .   .   .   .   .   .   15   ALA    HN    parsed_2la0   1   
        58   1   1   .   .   .   .   .   .   .   .   .   28   DTYR   HN    parsed_2la0   1   
        58   1   2   .   .   .   .   .   .   .   .   .   28   DTYR   HB2   parsed_2la0   1   
        59   1   1   .   .   .   .   .   .   .   .   .    5   CYSS   HB2   parsed_2la0   1   
        59   1   2   .   .   .   .   .   .   .   .   .    6   VAL    HN    parsed_2la0   1   
        60   1   1   .   .   .   .   .   .   .   .   .   22   GLU    QB    parsed_2la0   1   
        60   1   2   .   .   .   .   .   .   .   .   .   23   PHE    HN    parsed_2la0   1   
        61   1   1   .   .   .   .   .   .   .   .   .    4   ALA    HN    parsed_2la0   1   
        61   1   2   .   .   .   .   .   .   .   .   .    4   ALA    MB    parsed_2la0   1   
        62   1   1   .   .   .   .   .   .   .   .   .    8   ALA    MB    parsed_2la0   1   
        62   1   2   .   .   .   .   .   .   .   .   .    9   CYSS   HN    parsed_2la0   1   
        63   1   1   .   .   .   .   .   .   .   .   .   11   THR    HA    parsed_2la0   1   
        63   1   2   .   .   .   .   .   .   .   .   .   11   THR    MG2   parsed_2la0   1   
        64   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HB    parsed_2la0   1   
        64   1   2   .   .   .   .   .   .   .   .   .   24   ALA    MB    parsed_2la0   1   
        65   1   1   .   .   .   .   .   .   .   .   .    9   CYSS   HB2   parsed_2la0   1   
        65   1   2   .   .   .   .   .   .   .   .   .   25   MALA   MB    parsed_2la0   1   
        66   1   1   .   .   .   .   .   .   .   .   .    9   CYSS   HB1   parsed_2la0   1   
        66   1   2   .   .   .   .   .   .   .   .   .   25   MALA   MB    parsed_2la0   1   
        67   1   1   .   .   .   .   .   .   .   .   .    9   CYSS   HA    parsed_2la0   1   
        67   1   2   .   .   .   .   .   .   .   .   .   24   ALA    MB    parsed_2la0   1   
        68   1   1   .   .   .   .   .   .   .   .   .   19   VAL    HA    parsed_2la0   1   
        68   1   2   .   .   .   .   .   .   .   .   .   19   VAL    MG1   parsed_2la0   1   
        69   1   1   .   .   .   .   .   .   .   .   .   19   VAL    HA    parsed_2la0   1   
        69   1   2   .   .   .   .   .   .   .   .   .   19   VAL    MG2   parsed_2la0   1   
        70   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HA    parsed_2la0   1   
        70   1   2   .   .   .   .   .   .   .   .   .   15   ALA    MB    parsed_2la0   1   
        71   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HA    parsed_2la0   1   
        71   1   2   .   .   .   .   .   .   .   .   .   12   VAL    MG1   parsed_2la0   1   
        72   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HA    parsed_2la0   1   
        72   1   2   .   .   .   .   .   .   .   .   .   12   VAL    MG2   parsed_2la0   1   
        73   1   1   .   .   .   .   .   .   .   .   .    3   VAL    HN    parsed_2la0   1   
        73   1   2   .   .   .   .   .   .   .   .   .    3   VAL    QQG   parsed_2la0   1   
        74   1   1   .   .   .   .   .   .   .   .   .    5   CYSS   HN    parsed_2la0   1   
        74   1   2   .   .   .   .   .   .   .   .   .    5   CYSS   QB    parsed_2la0   1   
        75   1   1   .   .   .   .   .   .   .   .   .    5   CYSS   QB    parsed_2la0   1   
        75   1   2   .   .   .   .   .   .   .   .   .   28   DTYR   HN    parsed_2la0   1   
        76   1   1   .   .   .   .   .   .   .   .   .    6   VAL    HN    parsed_2la0   1   
        76   1   2   .   .   .   .   .   .   .   .   .    6   VAL    QQG   parsed_2la0   1   
        77   1   1   .   .   .   .   .   .   .   .   .    9   CYSS   QB    parsed_2la0   1   
        77   1   2   .   .   .   .   .   .   .   .   .   10   GLY    HN    parsed_2la0   1   
        78   1   1   .   .   .   .   .   .   .   .   .    9   CYSS   QB    parsed_2la0   1   
        78   1   2   .   .   .   .   .   .   .   .   .   25   MALA   HN    parsed_2la0   1   
        79   1   1   .   .   .   .   .   .   .   .   .    9   CYSS   QB    parsed_2la0   1   
        79   1   2   .   .   .   .   .   .   .   .   .   25   MALA   MB    parsed_2la0   1   
        80   1   1   .   .   .   .   .   .   .   .   .   12   VAL    HN    parsed_2la0   1   
        80   1   2   .   .   .   .   .   .   .   .   .   12   VAL    QQG   parsed_2la0   1   
        81   1   1   .   .   .   .   .   .   .   .   .   12   VAL    QQG   parsed_2la0   1   
        81   1   2   .   .   .   .   .   .   .   .   .   24   ALA    MB    parsed_2la0   1   
        82   1   1   .   .   .   .   .   .   .   .   .   13   CYSS   HN    parsed_2la0   1   
        82   1   2   .   .   .   .   .   .   .   .   .   13   CYSS   QB    parsed_2la0   1   
        83   1   1   .   .   .   .   .   .   .   .   .   13   CYSS   QB    parsed_2la0   1   
        83   1   2   .   .   .   .   .   .   .   .   .   14   LEU    HN    parsed_2la0   1   
        84   1   1   .   .   .   .   .   .   .   .   .   14   LEU    HN    parsed_2la0   1   
        84   1   2   .   .   .   .   .   .   .   .   .   14   LEU    QB    parsed_2la0   1   
        85   1   1   .   .   .   .   .   .   .   .   .   14   LEU    HA    parsed_2la0   1   
        85   1   2   .   .   .   .   .   .   .   .   .   14   LEU    QQD   parsed_2la0   1   
        86   1   1   .   .   .   .   .   .   .   .   .   14   LEU    QB    parsed_2la0   1   
        86   1   2   .   .   .   .   .   .   .   .   .   15   ALA    HN    parsed_2la0   1   
        87   1   1   .   .   .   .   .   .   .   .   .   16   SER    HN    parsed_2la0   1   
        87   1   2   .   .   .   .   .   .   .   .   .   16   SER    QB    parsed_2la0   1   
        88   1   1   .   .   .   .   .   .   .   .   .   19   VAL    HN    parsed_2la0   1   
        88   1   2   .   .   .   .   .   .   .   .   .   19   VAL    QQG   parsed_2la0   1   
        89   1   1   .   .   .   .   .   .   .   .   .   27   SER    HN    parsed_2la0   1   
        89   1   2   .   .   .   .   .   .   .   .   .   27   SER    QB    parsed_2la0   1   
        90   1   1   .   .   .   .   .   .   .   .   .   28   DTYR   HN    parsed_2la0   1   
        90   1   2   .   .   .   .   .   .   .   .   .   28   DTYR   QB    parsed_2la0   1   
        91   1   1   .   .   .   .   .   .   .   .   .   28   DTYR   QB    parsed_2la0   1   
        91   1   2   .   .   .   .   .   .   .   .   .   29   PHE    HN    parsed_2la0   1   
        92   1   1   .   .   .   .   .   .   .   .   .   29   PHE    HN    parsed_2la0   1   
        92   1   2   .   .   .   .   .   .   .   .   .   29   PHE    QB    parsed_2la0   1   
        93   1   1   .   .   .   .   .   .   .   .   .   30   LEU    HN    parsed_2la0   1   
        93   1   2   .   .   .   .   .   .   .   .   .   30   LEU    QB    parsed_2la0   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   .   .   .   .   .   .   .   4.04   parsed_2la0   1   
         2   1   .   .   .   .   .   .   .   4.10   parsed_2la0   1   
         3   1   .   .   .   .   .   .   .   3.56   parsed_2la0   1   
         4   1   .   .   .   .   .   .   .   3.65   parsed_2la0   1   
         5   1   .   .   .   .   .   .   .   3.32   parsed_2la0   1   
         6   1   .   .   .   .   .   .   .   3.89   parsed_2la0   1   
         7   1   .   .   .   .   .   .   .   3.87   parsed_2la0   1   
         8   1   .   .   .   .   .   .   .   3.39   parsed_2la0   1   
         9   1   .   .   .   .   .   .   .   3.54   parsed_2la0   1   
        10   1   .   .   .   .   .   .   .   3.77   parsed_2la0   1   
        11   1   .   .   .   .   .   .   .   3.58   parsed_2la0   1   
        12   1   .   .   .   .   .   .   .   4.00   parsed_2la0   1   
        13   1   .   .   .   .   .   .   .   3.65   parsed_2la0   1   
        14   1   .   .   .   .   .   .   .   4.07   parsed_2la0   1   
        15   1   .   .   .   .   .   .   .   4.38   parsed_2la0   1   
        16   1   .   .   .   .   .   .   .   3.48   parsed_2la0   1   
        17   1   .   .   .   .   .   .   .   3.83   parsed_2la0   1   
        18   1   .   .   .   .   .   .   .   4.07   parsed_2la0   1   
        19   1   .   .   .   .   .   .   .   4.40   parsed_2la0   1   
        20   1   .   .   .   .   .   .   .   3.62   parsed_2la0   1   
        21   1   .   .   .   .   .   .   .   4.07   parsed_2la0   1   
        22   1   .   .   .   .   .   .   .   4.48   parsed_2la0   1   
        23   1   .   .   .   .   .   .   .   3.05   parsed_2la0   1   
        24   1   .   .   .   .   .   .   .   3.31   parsed_2la0   1   
        25   1   .   .   .   .   .   .   .   3.72   parsed_2la0   1   
        26   1   .   .   .   .   .   .   .   3.89   parsed_2la0   1   
        27   1   .   .   .   .   .   .   .   4.31   parsed_2la0   1   
        28   1   .   .   .   .   .   .   .   4.37   parsed_2la0   1   
        29   1   .   .   .   .   .   .   .   4.26   parsed_2la0   1   
        30   1   .   .   .   .   .   .   .   4.37   parsed_2la0   1   
        31   1   .   .   .   .   .   .   .   3.89   parsed_2la0   1   
        32   1   .   .   .   .   .   .   .   4.00   parsed_2la0   1   
        33   1   .   .   .   .   .   .   .   4.13   parsed_2la0   1   
        34   1   .   .   .   .   .   .   .   4.00   parsed_2la0   1   
        35   1   .   .   .   .   .   .   .   3.70   parsed_2la0   1   
        36   1   .   .   .   .   .   .   .   3.58   parsed_2la0   1   
        37   1   .   .   .   .   .   .   .   3.91   parsed_2la0   1   
        38   1   .   .   .   .   .   .   .   3.74   parsed_2la0   1   
        39   1   .   .   .   .   .   .   .   3.62   parsed_2la0   1   
        40   1   .   .   .   .   .   .   .   3.62   parsed_2la0   1   
        41   1   .   .   .   .   .   .   .   4.04   parsed_2la0   1   
        42   1   .   .   .   .   .   .   .   3.69   parsed_2la0   1   
        43   1   .   .   .   .   .   .   .   3.71   parsed_2la0   1   
        44   1   .   .   .   .   .   .   .   3.93   parsed_2la0   1   
        45   1   .   .   .   .   .   .   .   4.11   parsed_2la0   1   
        46   1   .   .   .   .   .   .   .   3.85   parsed_2la0   1   
        47   1   .   .   .   .   .   .   .   4.14   parsed_2la0   1   
        48   1   .   .   .   .   .   .   .   3.82   parsed_2la0   1   
        49   1   .   .   .   .   .   .   .   3.55   parsed_2la0   1   
        50   1   .   .   .   .   .   .   .   4.27   parsed_2la0   1   
        51   1   .   .   .   .   .   .   .   4.18   parsed_2la0   1   
        52   1   .   .   .   .   .   .   .   3.82   parsed_2la0   1   
        53   1   .   .   .   .   .   .   .   4.55   parsed_2la0   1   
        54   1   .   .   .   .   .   .   .   4.47   parsed_2la0   1   
        55   1   .   .   .   .   .   .   .   4.70   parsed_2la0   1   
        56   1   .   .   .   .   .   .   .   5.02   parsed_2la0   1   
        57   1   .   .   .   .   .   .   .   4.57   parsed_2la0   1   
        58   1   .   .   .   .   .   .   .   4.10   parsed_2la0   1   
        59   1   .   .   .   .   .   .   .   3.83   parsed_2la0   1   
        60   1   .   .   .   .   .   .   .   4.31   parsed_2la0   1   
        61   1   .   .   .   .   .   .   .   4.09   parsed_2la0   1   
        62   1   .   .   .   .   .   .   .   4.42   parsed_2la0   1   
        63   1   .   .   .   .   .   .   .   3.95   parsed_2la0   1   
        64   1   .   .   .   .   .   .   .   4.01   parsed_2la0   1   
        65   1   .   .   .   .   .   .   .   4.28   parsed_2la0   1   
        66   1   .   .   .   .   .   .   .   4.28   parsed_2la0   1   
        67   1   .   .   .   .   .   .   .   4.14   parsed_2la0   1   
        68   1   .   .   .   .   .   .   .   3.84   parsed_2la0   1   
        69   1   .   .   .   .   .   .   .   3.84   parsed_2la0   1   
        70   1   .   .   .   .   .   .   .   3.90   parsed_2la0   1   
        71   1   .   .   .   .   .   .   .   3.77   parsed_2la0   1   
        72   1   .   .   .   .   .   .   .   3.77   parsed_2la0   1   
        73   1   .   .   .   .   .   .   .   4.34   parsed_2la0   1   
        74   1   .   .   .   .   .   .   .   3.62   parsed_2la0   1   
        75   1   .   .   .   .   .   .   .   4.70   parsed_2la0   1   
        76   1   .   .   .   .   .   .   .   3.79   parsed_2la0   1   
        77   1   .   .   .   .   .   .   .   3.66   parsed_2la0   1   
        78   1   .   .   .   .   .   .   .   4.17   parsed_2la0   1   
        79   1   .   .   .   .   .   .   .   3.65   parsed_2la0   1   
        80   1   .   .   .   .   .   .   .   3.76   parsed_2la0   1   
        81   1   .   .   .   .   .   .   .   4.03   parsed_2la0   1   
        82   1   .   .   .   .   .   .   .   3.39   parsed_2la0   1   
        83   1   .   .   .   .   .   .   .   3.80   parsed_2la0   1   
        84   1   .   .   .   .   .   .   .   3.37   parsed_2la0   1   
        85   1   .   .   .   .   .   .   .   4.21   parsed_2la0   1   
        86   1   .   .   .   .   .   .   .   4.14   parsed_2la0   1   
        87   1   .   .   .   .   .   .   .   3.70   parsed_2la0   1   
        88   1   .   .   .   .   .   .   .   3.35   parsed_2la0   1   
        89   1   .   .   .   .   .   .   .   3.60   parsed_2la0   1   
        90   1   .   .   .   .   .   .   .   3.31   parsed_2la0   1   
        91   1   .   .   .   .   .   .   .   4.31   parsed_2la0   1   
        92   1   .   .   .   .   .   .   .   3.37   parsed_2la0   1   
        93   1   .   .   .   .   .   .   .   3.64   parsed_2la0   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   "peak     2 #SUP  0.92  #QF  0.92"     1   49    1   81   parsed_2la0   1   
         2   "peak     3 #SUP  0.67  #QF  0.67"     2   49    2   81   parsed_2la0   1   
         3   "peak     8 #SUP  0.49  #QF  0.49"     3   49    3   81   parsed_2la0   1   
         4   "peak    11 #SUP  0.85  #QF  0.21"     4   49    4   81   parsed_2la0   1   
         5   "peak    15 #SUP  0.89  #QF  0.89"     5   49    5   81   parsed_2la0   1   
         6   "peak    16 #SUP  0.86  #QF  0.86"     6   49    6   81   parsed_2la0   1   
         7   "peak    19 #SUP  0.84  #QF  0.84"     7   49    7   81   parsed_2la0   1   
         8   "peak    22 #SUP  0.89  #QF  0.89"     8   49    8   81   parsed_2la0   1   
         9   "peak    24 #SUP  0.92  #QF  0.92"     9   49    9   81   parsed_2la0   1   
        10   "peak    28 #SUP  0.93  #QF  0.93"    10   49   10   81   parsed_2la0   1   
        11   "peak    29 #SUP  0.93  #QF  0.93"    11   49   11   81   parsed_2la0   1   
        12   "peak    31 #SUP  0.73  #QF  0.73"    12   49   12   81   parsed_2la0   1   
        13   "peak    34 #SUP  0.96  #QF  0.96"    13   49   13   81   parsed_2la0   1   
        14   "peak    35 #SUP  0.95  #QF  0.95"    14   49   14   81   parsed_2la0   1   
        15   "peak    36 #SUP  0.65  #QF  0.65"    15   49   15   81   parsed_2la0   1   
        16   "peak    37 #SUP  0.96  #QF  0.96"    16   49   16   81   parsed_2la0   1   
        17   "peak    42 #SUP  0.93  #QF  0.93"    17   49   17   81   parsed_2la0   1   
        18   "peak    44 #SUP  0.86  #QF  0.86"    18   49   18   81   parsed_2la0   1   
        19   "peak    45 #SUP  0.92  #QF  0.92"    19   49   19   81   parsed_2la0   1   
        20   "peak    46 #SUP  0.89  #QF  0.89"    20   49   20   81   parsed_2la0   1   
        21   "peak    47 #SUP  0.90  #QF  0.90"    21   49   21   81   parsed_2la0   1   
        22   "peak    51 #SUP  0.77  #QF  0.77"    22   49   22   81   parsed_2la0   1   
        23   "peak    52 #SUP  0.67  #QF  0.67"    23   49   23   81   parsed_2la0   1   
        24   "peak    54 #SUP  1.00"               24   49   24   70   parsed_2la0   1   
        25   "peak    56 #SUP  0.97  #QF  0.97"    25   49   25   81   parsed_2la0   1   
        26   "peak    59 #SUP  0.92  #QF  0.92"    26   49   26   81   parsed_2la0   1   
        27   "peak    64 #SUP  0.76  #QF  0.76"    27   49   27   81   parsed_2la0   1   
        28   "peak    68 #SUP  0.84  #QF  0.84"    28   49   28   81   parsed_2la0   1   
        29   "peak    76 #SUP  0.94  #QF  0.94"    29   49   29   81   parsed_2la0   1   
        30   "peak    80 #SUP  0.81  #QF  0.81"    30   49   30   81   parsed_2la0   1   
        31   "peak    91 #SUP  0.86  #QF  0.86"    31   49   31   81   parsed_2la0   1   
        32   "peak    93 #SUP  0.89  #QF  0.89"    32   49   32   81   parsed_2la0   1   
        33   "peak    94 #SUP  0.84  #QF  0.84"    33   49   33   81   parsed_2la0   1   
        34   "peak    95 #SUP  0.97  #QF  0.97"    34   49   34   81   parsed_2la0   1   
        35   "peak    97 #SUP  0.52  #QF  0.52"    35   49   35   81   parsed_2la0   1   
        36   "peak   109 #SUP  0.92  #QF  0.53"    36   49   36   81   parsed_2la0   1   
        37   "peak   110 #SUP  0.97  #QF  0.97"    37   49   37   81   parsed_2la0   1   
        38   "peak   113 #SUP  0.82  #QF  0.82"    38   49   38   81   parsed_2la0   1   
        39   "peak   116 #SUP  0.85  #QF  0.85"    39   49   39   81   parsed_2la0   1   
        40   "peak   124 #SUP  0.82  #QF  0.82"    40   49   40   81   parsed_2la0   1   
        41   "peak   125 #SUP  0.99  #QF  0.82"    41   49   41   81   parsed_2la0   1   
        42   "peak   128 #SUP  0.79  #QF  0.79"    42   49   42   81   parsed_2la0   1   
        43   "peak   137 #SUP  0.49  #QF  0.49"    43   49   43   81   parsed_2la0   1   
        44   "peak   140 #SUP  0.88  #QF  0.88"    44   49   44   81   parsed_2la0   1   
        45   "peak   147 #SUP  0.91  #QF  0.91"    45   49   45   81   parsed_2la0   1   
        46   "peak   148 #SUP  0.55  #QF  0.55"    46   49   46   81   parsed_2la0   1   
        47   "peak   153 #SUP  0.70  #QF  0.70"    47   49   47   81   parsed_2la0   1   
        48   "peak   158 #SUP  0.75  #QF  0.75"    48   49   48   81   parsed_2la0   1   
        49   "peak   164 #SUP  0.46  #QF  0.46"    49   49   49   81   parsed_2la0   1   
        50   "peak   167 #SUP  0.34  #QF  0.34"    50   49   50   81   parsed_2la0   1   
        51   "peak   172 #SUP  0.84  #QF  0.84"    51   49   51   81   parsed_2la0   1   
        52   "peak   174 #SUP  0.87  #QF  0.87"    52   49   52   81   parsed_2la0   1   
        53   "peak   178 #SUP  0.77  #QF  0.77"    53   49   53   81   parsed_2la0   1   
        54   "peak   181 #SUP  0.85  #QF  0.85"    54   49   54   81   parsed_2la0   1   
        55   "peak   192 #SUP  0.65  #QF  0.65"    55   49   55   81   parsed_2la0   1   
        56   "peak   199 #SUP  0.98  #QF  0.98"    56   49   56   81   parsed_2la0   1   
        57   "peak     5 #SUP  0.79  #QF  0.34"    57   49   57   81   parsed_2la0   1   
        58   "peak    32 #SUP  0.99  #QF  0.99"    58   49   58   81   parsed_2la0   1   
        59   "peak    49 #SUP  0.67  #QF  0.67"    59   49   59   81   parsed_2la0   1   
        60   "peak    59 #SUP  1.00"               60   49   60   70   parsed_2la0   1   
        61   "peak    68 #SUP  0.59  #QF  0.59"    61   49   61   81   parsed_2la0   1   
        62   "peak    83 #SUP  0.54  #QF  0.54"    62   49   62   81   parsed_2la0   1   
        63   "peak   107 #SUP  0.55  #QF  0.55"    63   49   63   81   parsed_2la0   1   
        64   "peak   160 #SUP  0.92  #QF  0.92"    64   49   64   81   parsed_2la0   1   
        65   "peak   170 #SUP  0.95  #QF  0.95"    65   49   65   81   parsed_2la0   1   
        66   "peak   173 #SUP  0.83  #QF  0.83"    66   49   66   81   parsed_2la0   1   
        67   "peak   229 #SUP  0.79  #QF  0.79"    67   49   67   81   parsed_2la0   1   
        68   "peak   264 #SUP  0.97  #QF  0.97"    68   49   68   81   parsed_2la0   1   
        69   "peak   265 #SUP  0.85  #QF  0.85"    69   49   69   81   parsed_2la0   1   
        70   "peak   267 #SUP  0.89  #QF  0.89"    70   49   70   81   parsed_2la0   1   
        71   "peak   268 #SUP  0.96  #QF  0.96"    71   49   71   81   parsed_2la0   1   
        72   "peak   269 #SUP  0.94  #QF  0.94"    72   49   72   81   parsed_2la0   1   
        73   "peak    39"                          73   49   73   59   parsed_2la0   1   
        74   "peak    63"                          74   49   74   59   parsed_2la0   1   
        75   "peak     4"                          75   49   75   59   parsed_2la0   1   
        76   "peak    48"                          76   49   76   59   parsed_2la0   1   
        77   "peak    83"                          77   49   77   59   parsed_2la0   1   
        78   "peak    14"                          78   49   78   59   parsed_2la0   1   
        79   "peak   170"                          79   49   79   59   parsed_2la0   1   
        80   "peak    38"                          80   49   80   59   parsed_2la0   1   
        81   "peak   137"                          81   49   81   59   parsed_2la0   1   
        82   "peak    18"                          82   49   82   59   parsed_2la0   1   
        83   "peak    43"                          83   49   83   59   parsed_2la0   1   
        84   "peak    44"                          84   49   84   59   parsed_2la0   1   
        85   "peak   223"                          85   49   85   59   parsed_2la0   1   
        86   "peak    21"                          86   49   86   59   parsed_2la0   1   
        87   "peak    79"                          87   49   87   59   parsed_2la0   1   
        88   "peak    26"                          88   49   88   59   parsed_2la0   1   
        89   "peak    66"                          89   49   89   59   parsed_2la0   1   
        90   "peak     3"                          90   49   90   59   parsed_2la0   1   
        91   "peak    71"                          91   49   91   59   parsed_2la0   1   
        92   "peak    70"                          92   49   92   59   parsed_2la0   1   
        93   "peak    50"                          93   49   93   59   parsed_2la0   1   
    stop_

save_


save_DYANA/DIANA_dihedral_6
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2la0 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            6 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -78.4   -38.4   .   .    2   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.3   -15.0   .   .    2   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.8   -44.8   .   .    3   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.3   -23.3   .   .    3   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.6   -47.6   .   .    4   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.3     0.8   .   .    4   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.5   -37.5   .   .    6   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.3   -26.3   .   .    6   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.5   -44.5   .   .    7   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.9   -20.9   .   .    7   GLY    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.8   -43.8   .   .    8   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.7   -10.4   .   .    8   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -117.1   -41.1   .   .    9   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.8     5.7   .   .    9   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79.5   -39.5   .   .   13   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.4   -24.4   .   .   13   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.7   -43.7   .   .   14   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62.2   -22.2   .   .   14   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.3   -44.3   .   .   15   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.0   -15.0   .   .   15   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.8   -58.0   .   .   16   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -18.0    22.0   .   .   16   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.0   -40.9   .   .   19   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.8   -12.8   .   .   19   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -78.7   -38.7   .   .   21   MTHR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62.9   -22.9   .   .   21   MTHR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -82.4   -42.4   .   .   22   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.3   -12.9   .   .   22   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89.0   -48.0   .   .   23   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.5   -21.5   .   .   23   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.1   -45.1   .   .   24   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.9   -19.9   .   .   24   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.0   -17.4   .   .   26   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.5    28.3   .   .   26   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.3   -40.3   .   .   28   DTYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.9   -19.7   .   .   28   DTYR   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.0   -41.9   .   .   29   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.3    14.1   .   .   29   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2la0   1   
    stop_

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