NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype item_count
28952 1abz cing 2-parsed STAR entry full 282


data_1abz_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1abz 
    _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_1abz   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1abz 
    _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   1abz   "Master copy"    parsed_1abz   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1abz 
    _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   1abz.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1abz   1   
        1   1abz.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1abz   1   
        1   1abz.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple              86   parsed_1abz   1   
        1   1abz.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"      0   parsed_1abz   1   
        1   1abz.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple             125   parsed_1abz   1   
        1   1abz.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1abz   1   
        1   1abz.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple              51   parsed_1abz   1   
        1   1abz.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_1abz   1   
        1   1abz.mr   .   .    XPLOR/CNS      9   "dihedral angle"          "Not applicable"    "Not applicable"     20   parsed_1abz   1   
        1   1abz.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_1abz   1   
        1   1abz.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1abz   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_1abz 
    _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    DE NOVO DESIGN                          31-JAN-97   1ABZ      
*TITLE     ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR,               
*TITLE    2 23 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: ALPHA-T-ALPHA;                                     
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: ATA;                                                
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 OTHER_DETAILS: DE NOVO DESIGNED PEPTIDE                      
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: NON-BIOLOGICAL SEQUENCE                           
*KEYWDS    DE NOVO DESIGN, HELIX-TURN-HELIX, PEPTIDE                     
*EXPDTA    NMR, 23 STRUCTURES                                            
*AUTHOR    Y.FEZOUI,P.J.CONNOLLY,J.J.OSTERHOUT                           
*REVDAT   1   12-OCT-04 1ABZ    0   

;

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1abz 
    _Org_constr_file_comment.ID                  2 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            2 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
reset
nrestraints=  1000

{  NOE Restraints }

{ Beginning NOE class STRG}
classification STRG
;

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1abz 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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_1abz   1   
         2   1   .   .   .   parsed_1abz   1   
         3   1   .   .   .   parsed_1abz   1   
         4   1   .   .   .   parsed_1abz   1   
         5   1   .   .   .   parsed_1abz   1   
         6   1   .   .   .   parsed_1abz   1   
         7   1   .   .   .   parsed_1abz   1   
         8   1   .   .   .   parsed_1abz   1   
         9   1   .   .   .   parsed_1abz   1   
        10   1   .   .   .   parsed_1abz   1   
        11   1   .   .   .   parsed_1abz   1   
        12   1   .   .   .   parsed_1abz   1   
        13   1   .   .   .   parsed_1abz   1   
        14   1   .   .   .   parsed_1abz   1   
        15   1   .   .   .   parsed_1abz   1   
        16   1   .   .   .   parsed_1abz   1   
        17   1   .   .   .   parsed_1abz   1   
        18   1   .   .   .   parsed_1abz   1   
        19   1   .   .   .   parsed_1abz   1   
        20   1   .   .   .   parsed_1abz   1   
        21   1   .   .   .   parsed_1abz   1   
        22   1   .   .   .   parsed_1abz   1   
        23   1   .   .   .   parsed_1abz   1   
        24   1   .   .   .   parsed_1abz   1   
        25   1   .   .   .   parsed_1abz   1   
        26   1   .   .   .   parsed_1abz   1   
        27   1   .   .   .   parsed_1abz   1   
        28   1   .   .   .   parsed_1abz   1   
        29   1   .   .   .   parsed_1abz   1   
        30   1   .   .   .   parsed_1abz   1   
        31   1   .   .   .   parsed_1abz   1   
        32   1   .   .   .   parsed_1abz   1   
        33   1   .   .   .   parsed_1abz   1   
        34   1   .   .   .   parsed_1abz   1   
        35   1   .   .   .   parsed_1abz   1   
        36   1   .   .   .   parsed_1abz   1   
        37   1   .   .   .   parsed_1abz   1   
        38   1   .   .   .   parsed_1abz   1   
        39   1   .   .   .   parsed_1abz   1   
        40   1   .   .   .   parsed_1abz   1   
        41   1   .   .   .   parsed_1abz   1   
        42   1   .   .   .   parsed_1abz   1   
        43   1   .   .   .   parsed_1abz   1   
        44   1   .   .   .   parsed_1abz   1   
        45   1   .   .   .   parsed_1abz   1   
        46   1   .   .   .   parsed_1abz   1   
        47   1   .   .   .   parsed_1abz   1   
        48   1   .   .   .   parsed_1abz   1   
        49   1   .   .   .   parsed_1abz   1   
        50   1   .   .   .   parsed_1abz   1   
        51   1   .   .   .   parsed_1abz   1   
        52   1   .   .   .   parsed_1abz   1   
        53   1   .   .   .   parsed_1abz   1   
        54   1   .   .   .   parsed_1abz   1   
        55   1   .   .   .   parsed_1abz   1   
        56   1   .   .   .   parsed_1abz   1   
        57   1   .   .   .   parsed_1abz   1   
        58   1   .   .   .   parsed_1abz   1   
        59   1   .   .   .   parsed_1abz   1   
        60   1   .   .   .   parsed_1abz   1   
        61   1   .   .   .   parsed_1abz   1   
        62   1   .   .   .   parsed_1abz   1   
        63   1   .   .   .   parsed_1abz   1   
        64   1   .   .   .   parsed_1abz   1   
        65   1   .   .   .   parsed_1abz   1   
        66   1   .   .   .   parsed_1abz   1   
        67   1   .   .   .   parsed_1abz   1   
        68   1   .   .   .   parsed_1abz   1   
        69   1   .   .   .   parsed_1abz   1   
        70   1   .   .   .   parsed_1abz   1   
        71   1   .   .   .   parsed_1abz   1   
        72   1   .   .   .   parsed_1abz   1   
        73   1   .   .   .   parsed_1abz   1   
        74   1   .   .   .   parsed_1abz   1   
        75   1   .   .   .   parsed_1abz   1   
        76   1   .   .   .   parsed_1abz   1   
        77   1   .   .   .   parsed_1abz   1   
        78   1   .   .   .   parsed_1abz   1   
        79   1   .   .   .   parsed_1abz   1   
        80   1   .   .   .   parsed_1abz   1   
        81   1   .   .   .   parsed_1abz   1   
        82   1   .   .   .   parsed_1abz   1   
        83   1   .   .   .   parsed_1abz   1   
        84   1   .   .   .   parsed_1abz   1   
        85   1   .   .   .   parsed_1abz   1   
        86   1   .   .   .   parsed_1abz   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   .   HN    parsed_1abz   1   
         1   1   2   .   .   .   .   .   .   .   .   .    1   .   HA    parsed_1abz   1   
         2   1   1   .   .   .   .   .   .   .   .   .    2   .   HN    parsed_1abz   1   
         2   1   2   .   .   .   .   .   .   .   .   .    2   .   HA    parsed_1abz   1   
         3   1   1   .   .   .   .   .   .   .   .   .    2   .   HN    parsed_1abz   1   
         3   1   2   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   1   
         4   1   1   .   .   .   .   .   .   .   .   .    2   .   HE1   parsed_1abz   1   
         4   1   2   .   .   .   .   .   .   .   .   .    2   .   HZ2   parsed_1abz   1   
         5   1   1   .   .   .   .   .   .   .   .   .    2   .   HE1   parsed_1abz   1   
         5   1   2   .   .   .   .   .   .   .   .   .    2   .   HD1   parsed_1abz   1   
         6   1   1   .   .   .   .   .   .   .   .   .    2   .   HZ2   parsed_1abz   1   
         6   1   2   .   .   .   .   .   .   .   .   .    2   .   HH2   parsed_1abz   1   
         7   1   1   .   .   .   .   .   .   .   .   .    2   .   HH2   parsed_1abz   1   
         7   1   2   .   .   .   .   .   .   .   .   .    2   .   HZ3   parsed_1abz   1   
         8   1   1   .   .   .   .   .   .   .   .   .    2   .   HE3   parsed_1abz   1   
         8   1   2   .   .   .   .   .   .   .   .   .    2   .   HZ3   parsed_1abz   1   
         9   1   1   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   1   
         9   1   2   .   .   .   .   .   .   .   .   .    3   .   HA    parsed_1abz   1   
        10   1   1   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   1   
        10   1   2   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   1   
        11   1   1   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   1   
        11   1   2   .   .   .   .   .   .   .   .   .    4   .   HA    parsed_1abz   1   
        12   1   1   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   1   
        12   1   2   .   .   .   .   .   .   .   .   .    5   .   HN    parsed_1abz   1   
        13   1   1   .   .   .   .   .   .   .   .   .    5   .   HN    parsed_1abz   1   
        13   1   2   .   .   .   .   .   .   .   .   .    5   .   HA    parsed_1abz   1   
        14   1   1   .   .   .   .   .   .   .   .   .    5   .   HN    parsed_1abz   1   
        14   1   2   .   .   .   .   .   .   .   .   .    5   .   HB+   parsed_1abz   1   
        15   1   1   .   .   .   .   .   .   .   .   .    5   .   HN    parsed_1abz   1   
        15   1   2   .   .   .   .   .   .   .   .   .    6   .   HN    parsed_1abz   1   
        16   1   1   .   .   .   .   .   .   .   .   .    5   .   HA    parsed_1abz   1   
        16   1   2   .   .   .   .   .   .   .   .   .    5   .   HB+   parsed_1abz   1   
        17   1   1   .   .   .   .   .   .   .   .   .    6   .   HN    parsed_1abz   1   
        17   1   2   .   .   .   .   .   .   .   .   .    6   .   HA    parsed_1abz   1   
        18   1   1   .   .   .   .   .   .   .   .   .    6   .   HN    parsed_1abz   1   
        18   1   2   .   .   .   .   .   .   .   .   .    7   .   HN    parsed_1abz   1   
        19   1   1   .   .   .   .   .   .   .   .   .    7   .   HN    parsed_1abz   1   
        19   1   2   .   .   .   .   .   .   .   .   .    7   .   HA    parsed_1abz   1   
        20   1   1   .   .   .   .   .   .   .   .   .    7   .   HN    parsed_1abz   1   
        20   1   2   .   .   .   .   .   .   .   .   .    7   .   HB    parsed_1abz   1   
        21   1   1   .   .   .   .   .   .   .   .   .    7   .   HN    parsed_1abz   1   
        21   1   2   .   .   .   .   .   .   .   .   .    8   .   HN    parsed_1abz   1   
        22   1   1   .   .   .   .   .   .   .   .   .    8   .   HN    parsed_1abz   1   
        22   1   2   .   .   .   .   .   .   .   .   .    8   .   HA    parsed_1abz   1   
        23   1   1   .   .   .   .   .   .   .   .   .    8   .   HN    parsed_1abz   1   
        23   1   2   .   .   .   .   .   .   .   .   .    9   .   HN    parsed_1abz   1   
        24   1   1   .   .   .   .   .   .   .   .   .    9   .   HN    parsed_1abz   1   
        24   1   2   .   .   .   .   .   .   .   .   .    9   .   HA    parsed_1abz   1   
        25   1   1   .   .   .   .   .   .   .   .   .    9   .   HN    parsed_1abz   1   
        25   1   2   .   .   .   .   .   .   .   .   .   10   .   HN    parsed_1abz   1   
        26   1   1   .   .   .   .   .   .   .   .   .   10   .   HN    parsed_1abz   1   
        26   1   2   .   .   .   .   .   .   .   .   .   10   .   HA    parsed_1abz   1   
        27   1   1   .   .   .   .   .   .   .   .   .   10   .   HN    parsed_1abz   1   
        27   1   2   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   1   
        28   1   1   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   1   
        28   1   2   .   .   .   .   .   .   .   .   .   11   .   HA    parsed_1abz   1   
        29   1   1   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   1   
        29   1   2   .   .   .   .   .   .   .   .   .   11   .   HG    parsed_1abz   1   
        30   1   1   .   .   .   .   .   .   .   .   .   11   .   HA    parsed_1abz   1   
        30   1   2   .   .   .   .   .   .   .   .   .   11   .   HG    parsed_1abz   1   
        31   1   1   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   1   
        31   1   2   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   1   
        32   1   1   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   1   
        32   1   2   .   .   .   .   .   .   .   .   .   12   .   HA    parsed_1abz   1   
        33   1   1   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   1   
        33   1   2   .   .   .   .   .   .   .   .   .   12   .   HB+   parsed_1abz   1   
        34   1   1   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   1   
        34   1   2   .   .   .   .   .   .   .   .   .   13   .   HN    parsed_1abz   1   
        35   1   1   .   .   .   .   .   .   .   .   .   13   .   HN    parsed_1abz   1   
        35   1   2   .   .   .   .   .   .   .   .   .   13   .   HA    parsed_1abz   1   
        36   1   1   .   .   .   .   .   .   .   .   .   13   .   HN    parsed_1abz   1   
        36   1   2   .   .   .   .   .   .   .   .   .   13   .   HB+   parsed_1abz   1   
        37   1   1   .   .   .   .   .   .   .   .   .   13   .   HN    parsed_1abz   1   
        37   1   2   .   .   .   .   .   .   .   .   .   14   .   HN    parsed_1abz   1   
        38   1   1   .   .   .   .   .   .   .   .   .   14   .   HN    parsed_1abz   1   
        38   1   2   .   .   .   .   .   .   .   .   .   14   .   HA    parsed_1abz   1   
        39   1   1   .   .   .   .   .   .   .   .   .   14   .   HN    parsed_1abz   1   
        39   1   2   .   .   .   .   .   .   .   .   .   15   .   HN    parsed_1abz   1   
        40   1   1   .   .   .   .   .   .   .   .   .   15   .   HN    parsed_1abz   1   
        40   1   2   .   .   .   .   .   .   .   .   .   15   .   HA    parsed_1abz   1   
        41   1   1   .   .   .   .   .   .   .   .   .   15   .   HN    parsed_1abz   1   
        41   1   2   .   .   .   .   .   .   .   .   .   16   .   HN    parsed_1abz   1   
        42   1   1   .   .   .   .   .   .   .   .   .   16   .   HN    parsed_1abz   1   
        42   1   2   .   .   .   .   .   .   .   .   .   16   .   HA    parsed_1abz   1   
        43   1   1   .   .   .   .   .   .   .   .   .   16   .   HN    parsed_1abz   1   
        43   1   2   .   .   .   .   .   .   .   .   .   16   .   HB+   parsed_1abz   1   
        44   1   1   .   .   .   .   .   .   .   .   .   17   .   HN    parsed_1abz   1   
        44   1   2   .   .   .   .   .   .   .   .   .   17   .   HA    parsed_1abz   1   
        45   1   1   .   .   .   .   .   .   .   .   .   17   .   HA    parsed_1abz   1   
        45   1   2   .   .   .   .   .   .   .   .   .   18   .   HN    parsed_1abz   1   
        46   1   1   .   .   .   .   .   .   .   .   .   19   .   HN    parsed_1abz   1   
        46   1   2   .   .   .   .   .   .   .   .   .   19   .   HA    parsed_1abz   1   
        47   1   1   .   .   .   .   .   .   .   .   .   20   .   HA    parsed_1abz   1   
        47   1   2   .   .   .   .   .   .   .   .   .   21   .   HN    parsed_1abz   1   
        48   1   1   .   .   .   .   .   .   .   .   .   21   .   HN    parsed_1abz   1   
        48   1   2   .   .   .   .   .   .   .   .   .   21   .   HA    parsed_1abz   1   
        49   1   1   .   .   .   .   .   .   .   .   .   22   .   HN    parsed_1abz   1   
        49   1   2   .   .   .   .   .   .   .   .   .   22   .   HA    parsed_1abz   1   
        50   1   1   .   .   .   .   .   .   .   .   .   22   .   HA    parsed_1abz   1   
        50   1   2   .   .   .   .   .   .   .   .   .   23   .   HN    parsed_1abz   1   
        51   1   1   .   .   .   .   .   .   .   .   .   23   .   HN    parsed_1abz   1   
        51   1   2   .   .   .   .   .   .   .   .   .   23   .   HA    parsed_1abz   1   
        52   1   1   .   .   .   .   .   .   .   .   .   23   .   HN    parsed_1abz   1   
        52   1   2   .   .   .   .   .   .   .   .   .   23   .   HB+   parsed_1abz   1   
        53   1   1   .   .   .   .   .   .   .   .   .   23   .   HN    parsed_1abz   1   
        53   1   2   .   .   .   .   .   .   .   .   .   24   .   HN    parsed_1abz   1   
        54   1   1   .   .   .   .   .   .   .   .   .   23   .   HA    parsed_1abz   1   
        54   1   2   .   .   .   .   .   .   .   .   .   23   .   HB+   parsed_1abz   1   
        55   1   1   .   .   .   .   .   .   .   .   .   24   .   HN    parsed_1abz   1   
        55   1   2   .   .   .   .   .   .   .   .   .   24   .   HA    parsed_1abz   1   
        56   1   1   .   .   .   .   .   .   .   .   .   24   .   HN    parsed_1abz   1   
        56   1   2   .   .   .   .   .   .   .   .   .   25   .   HN    parsed_1abz   1   
        57   1   1   .   .   .   .   .   .   .   .   .   25   .   HN    parsed_1abz   1   
        57   1   2   .   .   .   .   .   .   .   .   .   25   .   HA    parsed_1abz   1   
        58   1   1   .   .   .   .   .   .   .   .   .   25   .   HN    parsed_1abz   1   
        58   1   2   .   .   .   .   .   .   .   .   .   26   .   HN    parsed_1abz   1   
        59   1   1   .   .   .   .   .   .   .   .   .   25   .   HA    parsed_1abz   1   
        59   1   2   .   .   .   .   .   .   .   .   .   25   .   HG    parsed_1abz   1   
        60   1   1   .   .   .   .   .   .   .   .   .   26   .   HN    parsed_1abz   1   
        60   1   2   .   .   .   .   .   .   .   .   .   26   .   HA    parsed_1abz   1   
        61   1   1   .   .   .   .   .   .   .   .   .   26   .   HN    parsed_1abz   1   
        61   1   2   .   .   .   .   .   .   .   .   .   27   .   HN    parsed_1abz   1   
        62   1   1   .   .   .   .   .   .   .   .   .   27   .   HN    parsed_1abz   1   
        62   1   2   .   .   .   .   .   .   .   .   .   27   .   HA    parsed_1abz   1   
        63   1   1   .   .   .   .   .   .   .   .   .   27   .   HN    parsed_1abz   1   
        63   1   2   .   .   .   .   .   .   .   .   .   27   .   HB+   parsed_1abz   1   
        64   1   1   .   .   .   .   .   .   .   .   .   27   .   HN    parsed_1abz   1   
        64   1   2   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1abz   1   
        65   1   1   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1abz   1   
        65   1   2   .   .   .   .   .   .   .   .   .   28   .   HA    parsed_1abz   1   
        66   1   1   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1abz   1   
        66   1   2   .   .   .   .   .   .   .   .   .   29   .   HN    parsed_1abz   1   
        67   1   1   .   .   .   .   .   .   .   .   .   29   .   HN    parsed_1abz   1   
        67   1   2   .   .   .   .   .   .   .   .   .   29   .   HA    parsed_1abz   1   
        68   1   1   .   .   .   .   .   .   .   .   .   29   .   HN    parsed_1abz   1   
        68   1   2   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1abz   1   
        69   1   1   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1abz   1   
        69   1   2   .   .   .   .   .   .   .   .   .   30   .   HA    parsed_1abz   1   
        70   1   1   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1abz   1   
        70   1   2   .   .   .   .   .   .   .   .   .   30   .   HB+   parsed_1abz   1   
        71   1   1   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1abz   1   
        71   1   2   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1abz   1   
        72   1   1   .   .   .   .   .   .   .   .   .   30   .   HA    parsed_1abz   1   
        72   1   2   .   .   .   .   .   .   .   .   .   30   .   HB+   parsed_1abz   1   
        73   1   1   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1abz   1   
        73   1   2   .   .   .   .   .   .   .   .   .   31   .   HA    parsed_1abz   1   
        74   1   1   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1abz   1   
        74   1   2   .   .   .   .   .   .   .   .   .   32   .   HN    parsed_1abz   1   
        75   1   1   .   .   .   .   .   .   .   .   .   32   .   HN    parsed_1abz   1   
        75   1   2   .   .   .   .   .   .   .   .   .   32   .   HA    parsed_1abz   1   
        76   1   1   .   .   .   .   .   .   .   .   .   33   .   HN    parsed_1abz   1   
        76   1   2   .   .   .   .   .   .   .   .   .   33   .   HA    parsed_1abz   1   
        77   1   1   .   .   .   .   .   .   .   .   .   33   .   HN    parsed_1abz   1   
        77   1   2   .   .   .   .   .   .   .   .   .   34   .   HN    parsed_1abz   1   
        78   1   1   .   .   .   .   .   .   .   .   .   34   .   HN    parsed_1abz   1   
        78   1   2   .   .   .   .   .   .   .   .   .   34   .   HA    parsed_1abz   1   
        79   1   1   .   .   .   .   .   .   .   .   .   34   .   HN    parsed_1abz   1   
        79   1   2   .   .   .   .   .   .   .   .   .   34   .   HB+   parsed_1abz   1   
        80   1   1   .   .   .   .   .   .   .   .   .   34   .   HN    parsed_1abz   1   
        80   1   2   .   .   .   .   .   .   .   .   .   35   .   HN    parsed_1abz   1   
        81   1   1   .   .   .   .   .   .   .   .   .   35   .   HN    parsed_1abz   1   
        81   1   2   .   .   .   .   .   .   .   .   .   35   .   HA    parsed_1abz   1   
        82   1   1   .   .   .   .   .   .   .   .   .   35   .   HN    parsed_1abz   1   
        82   1   2   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1abz   1   
        83   1   1   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1abz   1   
        83   1   2   .   .   .   .   .   .   .   .   .   36   .   HA    parsed_1abz   1   
        84   1   1   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1abz   1   
        84   1   2   .   .   .   .   .   .   .   .   .   37   .   HN    parsed_1abz   1   
        85   1   1   .   .   .   .   .   .   .   .   .   37   .   HN    parsed_1abz   1   
        85   1   2   .   .   .   .   .   .   .   .   .   37   .   HA    parsed_1abz   1   
        86   1   1   .   .   .   .   .   .   .   .   .   38   .   HN    parsed_1abz   1   
        86   1   2   .   .   .   .   .   .   .   .   .   38   .   HA    parsed_1abz   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
         2   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
         3   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
         4   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
         5   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
         6   1   .   .   .   .   .   2.25   2.00   2.50   parsed_1abz   1   
         7   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
         8   1   .   .   .   .   .   2.25   2.00   2.50   parsed_1abz   1   
         9   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        10   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        11   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        12   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
        13   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        14   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        15   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
        16   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
        17   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        18   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        19   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        20   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
        21   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        22   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        23   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        24   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        25   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        26   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        27   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        28   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        29   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
        30   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        31   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
        32   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        33   1   .   .   .   .   .   2.95   2.00   3.90   parsed_1abz   1   
        34   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        35   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        36   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
        37   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
        38   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        39   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        40   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        41   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        42   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        43   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        44   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
        45   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        46   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
        47   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
        48   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        49   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        50   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        51   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        52   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        53   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        54   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        55   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        56   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        57   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        58   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        59   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
        60   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        61   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        62   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        63   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        64   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        65   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        66   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        67   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        68   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        69   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        70   1   .   .   .   .   .   2.35   2.00   2.70   parsed_1abz   1   
        71   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        72   1   .   .   .   .   .   2.30   2.00   2.60   parsed_1abz   1   
        73   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        74   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        75   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        76   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        77   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        78   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        79   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        80   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        81   1   .   .   .   .   .   2.45   2.00   2.90   parsed_1abz   1   
        82   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
        83   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        84   1   .   .   .   .   .   2.55   2.00   3.10   parsed_1abz   1   
        85   1   .   .   .   .   .   2.40   2.00   2.80   parsed_1abz   1   
        86   1   .   .   .   .   .   2.50   2.00   3.00   parsed_1abz   1   
    stop_

save_


save_MR_file_comment_4
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1abz 
    _Org_constr_file_comment.ID                  3 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            4 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
{ Beginning NOE class MED }
classification MED
;

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1abz 
    _Distance_constraint_list.ID                  2 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _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_1abz   2   
          2   1   .   .   .   parsed_1abz   2   
          3   1   .   .   .   parsed_1abz   2   
          4   1   .   .   .   parsed_1abz   2   
          5   1   .   .   .   parsed_1abz   2   
          6   1   .   .   .   parsed_1abz   2   
          7   1   .   .   .   parsed_1abz   2   
          8   1   .   .   .   parsed_1abz   2   
          9   1   .   .   .   parsed_1abz   2   
         10   1   .   .   .   parsed_1abz   2   
         11   1   .   .   .   parsed_1abz   2   
         12   1   .   .   .   parsed_1abz   2   
         13   1   .   .   .   parsed_1abz   2   
         14   1   .   .   .   parsed_1abz   2   
         15   1   .   .   .   parsed_1abz   2   
         16   1   .   .   .   parsed_1abz   2   
         17   1   .   .   .   parsed_1abz   2   
         18   1   .   .   .   parsed_1abz   2   
         19   1   .   .   .   parsed_1abz   2   
         20   1   .   .   .   parsed_1abz   2   
         21   1   .   .   .   parsed_1abz   2   
         22   1   .   .   .   parsed_1abz   2   
         23   1   .   .   .   parsed_1abz   2   
         24   1   .   .   .   parsed_1abz   2   
         25   1   .   .   .   parsed_1abz   2   
         26   1   .   .   .   parsed_1abz   2   
         27   1   .   .   .   parsed_1abz   2   
         28   1   .   .   .   parsed_1abz   2   
         29   1   .   .   .   parsed_1abz   2   
         30   1   .   .   .   parsed_1abz   2   
         31   1   .   .   .   parsed_1abz   2   
         32   1   .   .   .   parsed_1abz   2   
         33   1   .   .   .   parsed_1abz   2   
         34   1   .   .   .   parsed_1abz   2   
         35   1   .   .   .   parsed_1abz   2   
         36   1   .   .   .   parsed_1abz   2   
         37   1   .   .   .   parsed_1abz   2   
         38   1   .   .   .   parsed_1abz   2   
         39   1   .   .   .   parsed_1abz   2   
         40   1   .   .   .   parsed_1abz   2   
         41   1   .   .   .   parsed_1abz   2   
         42   1   .   .   .   parsed_1abz   2   
         43   1   .   .   .   parsed_1abz   2   
         44   1   .   .   .   parsed_1abz   2   
         45   1   .   .   .   parsed_1abz   2   
         46   1   .   .   .   parsed_1abz   2   
         47   1   .   .   .   parsed_1abz   2   
         48   1   .   .   .   parsed_1abz   2   
         49   1   .   .   .   parsed_1abz   2   
         50   1   .   .   .   parsed_1abz   2   
         51   1   .   .   .   parsed_1abz   2   
         52   1   .   .   .   parsed_1abz   2   
         53   1   .   .   .   parsed_1abz   2   
         54   1   .   .   .   parsed_1abz   2   
         55   1   .   .   .   parsed_1abz   2   
         56   1   .   .   .   parsed_1abz   2   
         57   1   .   .   .   parsed_1abz   2   
         58   1   .   .   .   parsed_1abz   2   
         59   1   .   .   .   parsed_1abz   2   
         60   1   .   .   .   parsed_1abz   2   
         61   1   .   .   .   parsed_1abz   2   
         62   1   .   .   .   parsed_1abz   2   
         63   1   .   .   .   parsed_1abz   2   
         64   1   .   .   .   parsed_1abz   2   
         65   1   .   .   .   parsed_1abz   2   
         66   1   .   .   .   parsed_1abz   2   
         67   1   .   .   .   parsed_1abz   2   
         68   1   .   .   .   parsed_1abz   2   
         69   1   .   .   .   parsed_1abz   2   
         70   1   .   .   .   parsed_1abz   2   
         71   1   .   .   .   parsed_1abz   2   
         72   1   .   .   .   parsed_1abz   2   
         73   1   .   .   .   parsed_1abz   2   
         74   1   .   .   .   parsed_1abz   2   
         75   1   .   .   .   parsed_1abz   2   
         76   1   .   .   .   parsed_1abz   2   
         77   1   .   .   .   parsed_1abz   2   
         78   1   .   .   .   parsed_1abz   2   
         79   1   .   .   .   parsed_1abz   2   
         80   1   .   .   .   parsed_1abz   2   
         81   1   .   .   .   parsed_1abz   2   
         82   1   .   .   .   parsed_1abz   2   
         83   1   .   .   .   parsed_1abz   2   
         84   1   .   .   .   parsed_1abz   2   
         85   1   .   .   .   parsed_1abz   2   
         86   1   .   .   .   parsed_1abz   2   
         87   1   .   .   .   parsed_1abz   2   
         88   1   .   .   .   parsed_1abz   2   
         89   1   .   .   .   parsed_1abz   2   
         90   1   .   .   .   parsed_1abz   2   
         91   1   .   .   .   parsed_1abz   2   
         92   1   .   .   .   parsed_1abz   2   
         93   1   .   .   .   parsed_1abz   2   
         94   1   .   .   .   parsed_1abz   2   
         95   1   .   .   .   parsed_1abz   2   
         96   1   .   .   .   parsed_1abz   2   
         97   1   .   .   .   parsed_1abz   2   
         98   1   .   .   .   parsed_1abz   2   
         99   1   .   .   .   parsed_1abz   2   
        100   1   .   .   .   parsed_1abz   2   
        101   1   .   .   .   parsed_1abz   2   
        102   1   .   .   .   parsed_1abz   2   
        103   1   .   .   .   parsed_1abz   2   
        104   1   .   .   .   parsed_1abz   2   
        105   1   .   .   .   parsed_1abz   2   
        106   1   .   .   .   parsed_1abz   2   
        107   1   .   .   .   parsed_1abz   2   
        108   1   .   .   .   parsed_1abz   2   
        109   1   .   .   .   parsed_1abz   2   
        110   1   .   .   .   parsed_1abz   2   
        111   1   .   .   .   parsed_1abz   2   
        112   1   .   .   .   parsed_1abz   2   
        113   1   .   .   .   parsed_1abz   2   
        114   1   .   .   .   parsed_1abz   2   
        115   1   .   .   .   parsed_1abz   2   
        116   1   .   .   .   parsed_1abz   2   
        117   1   .   .   .   parsed_1abz   2   
        118   1   .   .   .   parsed_1abz   2   
        119   1   .   .   .   parsed_1abz   2   
        120   1   .   .   .   parsed_1abz   2   
        121   1   .   .   .   parsed_1abz   2   
        122   1   .   .   .   parsed_1abz   2   
        123   1   .   .   .   parsed_1abz   2   
        124   1   .   .   .   parsed_1abz   2   
        125   1   .   .   .   parsed_1abz   2   
    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   .   .   .   .   .   .   .   .   .    0   .   H3+   parsed_1abz   2   
          1   1   2   .   .   .   .   .   .   .   .   .    1   .   HN    parsed_1abz   2   
          2   1   1   .   .   .   .   .   .   .   .   .    0   .   H2+   parsed_1abz   2   
          2   1   2   .   .   .   .   .   .   .   .   .    1   .   HN    parsed_1abz   2   
          3   1   1   .   .   .   .   .   .   .   .   .    1   .   HN    parsed_1abz   2   
          3   1   2   .   .   .   .   .   .   .   .   .    1   .   HB+   parsed_1abz   2   
          4   1   1   .   .   .   .   .   .   .   .   .    1   .   HN    parsed_1abz   2   
          4   1   2   .   .   .   .   .   .   .   .   .    2   .   HN    parsed_1abz   2   
          5   1   1   .   .   .   .   .   .   .   .   .    1   .   HA    parsed_1abz   2   
          5   1   2   .   .   .   .   .   .   .   .   .    1   .   HB+   parsed_1abz   2   
          6   1   1   .   .   .   .   .   .   .   .   .    1   .   HA    parsed_1abz   2   
          6   1   2   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   2   
          7   1   1   .   .   .   .   .   .   .   .   .    1   .   HA    parsed_1abz   2   
          7   1   2   .   .   .   .   .   .   .   .   .    4   .   HB+   parsed_1abz   2   
          8   1   1   .   .   .   .   .   .   .   .   .    2   .   HN    parsed_1abz   2   
          8   1   2   .   .   .   .   .   .   .   .   .    2   .   HB+   parsed_1abz   2   
          9   1   1   .   .   .   .   .   .   .   .   .    2   .   HN    parsed_1abz   2   
          9   1   2   .   .   .   .   .   .   .   .   .    2   .   HD1   parsed_1abz   2   
         10   1   1   .   .   .   .   .   .   .   .   .    2   .   HA    parsed_1abz   2   
         10   1   2   .   .   .   .   .   .   .   .   .    2   .   HB+   parsed_1abz   2   
         11   1   1   .   .   .   .   .   .   .   .   .    2   .   HA    parsed_1abz   2   
         11   1   2   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   2   
         12   1   1   .   .   .   .   .   .   .   .   .    2   .   HA    parsed_1abz   2   
         12   1   2   .   .   .   .   .   .   .   .   .    2   .   HD1   parsed_1abz   2   
         13   1   1   .   .   .   .   .   .   .   .   .    2   .   HA    parsed_1abz   2   
         13   1   2   .   .   .   .   .   .   .   .   .    5   .   HN    parsed_1abz   2   
         14   1   1   .   .   .   .   .   .   .   .   .    2   .   HA    parsed_1abz   2   
         14   1   2   .   .   .   .   .   .   .   .   .    5   .   HB+   parsed_1abz   2   
         15   1   1   .   .   .   .   .   .   .   .   .    2   .   HB+   parsed_1abz   2   
         15   1   2   .   .   .   .   .   .   .   .   .    2   .   HD1   parsed_1abz   2   
         16   1   1   .   .   .   .   .   .   .   .   .    2   .   HB+   parsed_1abz   2   
         16   1   2   .   .   .   .   .   .   .   .   .    2   .   HE3   parsed_1abz   2   
         17   1   1   .   .   .   .   .   .   .   .   .    2   .   HB+   parsed_1abz   2   
         17   1   2   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   2   
         18   1   1   .   .   .   .   .   .   .   .   .    2   .   HE3   parsed_1abz   2   
         18   1   2   .   .   .   .   .   .   .   .   .    3   .   HA    parsed_1abz   2   
         19   1   1   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   2   
         19   1   2   .   .   .   .   .   .   .   .   .    3   .   HB+   parsed_1abz   2   
         20   1   1   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   2   
         20   1   2   .   .   .   .   .   .   .   .   .    3   .   HG    parsed_1abz   2   
         21   1   1   .   .   .   .   .   .   .   .   .    3   .   HA    parsed_1abz   2   
         21   1   2   .   .   .   .   .   .   .   .   .    3   .   HB+   parsed_1abz   2   
         22   1   1   .   .   .   .   .   .   .   .   .    3   .   HA    parsed_1abz   2   
         22   1   2   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   2   
         23   1   1   .   .   .   .   .   .   .   .   .    3   .   HA    parsed_1abz   2   
         23   1   2   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   2   
         24   1   1   .   .   .   .   .   .   .   .   .    3   .   HA    parsed_1abz   2   
         24   1   2   .   .   .   .   .   .   .   .   .    6   .   HN    parsed_1abz   2   
         25   1   1   .   .   .   .   .   .   .   .   .    3   .   HB+   parsed_1abz   2   
         25   1   2   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   2   
         26   1   1   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   2   
         26   1   2   .   .   .   .   .   .   .   .   .    4   .   HB+   parsed_1abz   2   
         27   1   1   .   .   .   .   .   .   .   .   .    4   .   HA    parsed_1abz   2   
         27   1   2   .   .   .   .   .   .   .   .   .    5   .   HN    parsed_1abz   2   
         28   1   1   .   .   .   .   .   .   .   .   .    4   .   HA    parsed_1abz   2   
         28   1   2   .   .   .   .   .   .   .   .   .    7   .   HN    parsed_1abz   2   
         29   1   1   .   .   .   .   .   .   .   .   .    4   .   HA    parsed_1abz   2   
         29   1   2   .   .   .   .   .   .   .   .   .    7   .   HB    parsed_1abz   2   
         30   1   1   .   .   .   .   .   .   .   .   .    4   .   HA    parsed_1abz   2   
         30   1   2   .   .   .   .   .   .   .   .   .    8   .   HN    parsed_1abz   2   
         31   1   1   .   .   .   .   .   .   .   .   .    5   .   HB+   parsed_1abz   2   
         31   1   2   .   .   .   .   .   .   .   .   .    6   .   HN    parsed_1abz   2   
         32   1   1   .   .   .   .   .   .   .   .   .    6   .   HN    parsed_1abz   2   
         32   1   2   .   .   .   .   .   .   .   .   .    6   .   HB+   parsed_1abz   2   
         33   1   1   .   .   .   .   .   .   .   .   .    6   .   HA    parsed_1abz   2   
         33   1   2   .   .   .   .   .   .   .   .   .    6   .   HD+   parsed_1abz   2   
         34   1   1   .   .   .   .   .   .   .   .   .    6   .   HB+   parsed_1abz   2   
         34   1   2   .   .   .   .   .   .   .   .   .    7   .   HN    parsed_1abz   2   
         35   1   1   .   .   .   .   .   .   .   .   .    7   .   HA    parsed_1abz   2   
         35   1   2   .   .   .   .   .   .   .   .   .    8   .   HN    parsed_1abz   2   
         36   1   1   .   .   .   .   .   .   .   .   .    7   .   HA    parsed_1abz   2   
         36   1   2   .   .   .   .   .   .   .   .   .   10   .   HN    parsed_1abz   2   
         37   1   1   .   .   .   .   .   .   .   .   .    7   .   HA    parsed_1abz   2   
         37   1   2   .   .   .   .   .   .   .   .   .   10   .   HB+   parsed_1abz   2   
         38   1   1   .   .   .   .   .   .   .   .   .    7   .   HA    parsed_1abz   2   
         38   1   2   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   2   
         39   1   1   .   .   .   .   .   .   .   .   .    8   .   HA    parsed_1abz   2   
         39   1   2   .   .   .   .   .   .   .   .   .    9   .   HN    parsed_1abz   2   
         40   1   1   .   .   .   .   .   .   .   .   .    8   .   HA    parsed_1abz   2   
         40   1   2   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   2   
         41   1   1   .   .   .   .   .   .   .   .   .    8   .   HB+   parsed_1abz   2   
         41   1   2   .   .   .   .   .   .   .   .   .    9   .   HN    parsed_1abz   2   
         42   1   1   .   .   .   .   .   .   .   .   .    9   .   HN    parsed_1abz   2   
         42   1   2   .   .   .   .   .   .   .   .   .    9   .   HB+   parsed_1abz   2   
         43   1   1   .   .   .   .   .   .   .   .   .    9   .   HA    parsed_1abz   2   
         43   1   2   .   .   .   .   .   .   .   .   .    9   .   HB+   parsed_1abz   2   
         44   1   1   .   .   .   .   .   .   .   .   .    9   .   HA    parsed_1abz   2   
         44   1   2   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   2   
         45   1   1   .   .   .   .   .   .   .   .   .   10   .   HN    parsed_1abz   2   
         45   1   2   .   .   .   .   .   .   .   .   .   10   .   HB+   parsed_1abz   2   
         46   1   1   .   .   .   .   .   .   .   .   .   10   .   HA    parsed_1abz   2   
         46   1   2   .   .   .   .   .   .   .   .   .   10   .   HB+   parsed_1abz   2   
         47   1   1   .   .   .   .   .   .   .   .   .   10   .   HA    parsed_1abz   2   
         47   1   2   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   2   
         48   1   1   .   .   .   .   .   .   .   .   .   10   .   HB+   parsed_1abz   2   
         48   1   2   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   2   
         49   1   1   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   2   
         49   1   2   .   .   .   .   .   .   .   .   .   11   .   HB+   parsed_1abz   2   
         50   1   1   .   .   .   .   .   .   .   .   .   11   .   HA    parsed_1abz   2   
         50   1   2   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   2   
         51   1   1   .   .   .   .   .   .   .   .   .   11   .   HA    parsed_1abz   2   
         51   1   2   .   .   .   .   .   .   .   .   .   14   .   HN    parsed_1abz   2   
         52   1   1   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   2   
         52   1   2   .   .   .   .   .   .   .   .   .   12   .   HB+   parsed_1abz   2   
         53   1   1   .   .   .   .   .   .   .   .   .   12   .   HN    parsed_1abz   2   
         53   1   2   .   .   .   .   .   .   .   .   .   12   .   HG+   parsed_1abz   2   
         54   1   1   .   .   .   .   .   .   .   .   .   12   .   HA    parsed_1abz   2   
         54   1   2   .   .   .   .   .   .   .   .   .   12   .   HB+   parsed_1abz   2   
         55   1   1   .   .   .   .   .   .   .   .   .   12   .   HA    parsed_1abz   2   
         55   1   2   .   .   .   .   .   .   .   .   .   12   .   HG+   parsed_1abz   2   
         56   1   1   .   .   .   .   .   .   .   .   .   12   .   HA    parsed_1abz   2   
         56   1   2   .   .   .   .   .   .   .   .   .   13   .   HN    parsed_1abz   2   
         57   1   1   .   .   .   .   .   .   .   .   .   12   .   HB+   parsed_1abz   2   
         57   1   2   .   .   .   .   .   .   .   .   .   13   .   HN    parsed_1abz   2   
         58   1   1   .   .   .   .   .   .   .   .   .   13   .   HA    parsed_1abz   2   
         58   1   2   .   .   .   .   .   .   .   .   .   14   .   HN    parsed_1abz   2   
         59   1   1   .   .   .   .   .   .   .   .   .   13   .   HA    parsed_1abz   2   
         59   1   2   .   .   .   .   .   .   .   .   .   16   .   HB+   parsed_1abz   2   
         60   1   1   .   .   .   .   .   .   .   .   .   13   .   HB+   parsed_1abz   2   
         60   1   2   .   .   .   .   .   .   .   .   .   14   .   HN    parsed_1abz   2   
         61   1   1   .   .   .   .   .   .   .   .   .   14   .   HN    parsed_1abz   2   
         61   1   2   .   .   .   .   .   .   .   .   .   14   .   HB+   parsed_1abz   2   
         62   1   1   .   .   .   .   .   .   .   .   .   14   .   HA    parsed_1abz   2   
         62   1   2   .   .   .   .   .   .   .   .   .   17   .   HN    parsed_1abz   2   
         63   1   1   .   .   .   .   .   .   .   .   .   15   .   HB+   parsed_1abz   2   
         63   1   2   .   .   .   .   .   .   .   .   .   16   .   HN    parsed_1abz   2   
         64   1   1   .   .   .   .   .   .   .   .   .   17   .   HN    parsed_1abz   2   
         64   1   2   .   .   .   .   .   .   .   .   .   18   .   HN    parsed_1abz   2   
         65   1   1   .   .   .   .   .   .   .   .   .   17   .   HA    parsed_1abz   2   
         65   1   2   .   .   .   .   .   .   .   .   .   17   .   HB+   parsed_1abz   2   
         66   1   1   .   .   .   .   .   .   .   .   .   17   .   HA    parsed_1abz   2   
         66   1   2   .   .   .   .   .   .   .   .   .   17   .   HG+   parsed_1abz   2   
         67   1   1   .   .   .   .   .   .   .   .   .   18   .   HN    parsed_1abz   2   
         67   1   2   .   .   .   .   .   .   .   .   .   18   .   HA+   parsed_1abz   2   
         68   1   1   .   .   .   .   .   .   .   .   .   18   .   HA+   parsed_1abz   2   
         68   1   2   .   .   .   .   .   .   .   .   .   19   .   HN    parsed_1abz   2   
         69   1   1   .   .   .   .   .   .   .   .   .   19   .   HN    parsed_1abz   2   
         69   1   2   .   .   .   .   .   .   .   .   .   20   .   HN    parsed_1abz   2   
         70   1   1   .   .   .   .   .   .   .   .   .   19   .   HA    parsed_1abz   2   
         70   1   2   .   .   .   .   .   .   .   .   .   20   .   HN    parsed_1abz   2   
         71   1   1   .   .   .   .   .   .   .   .   .   20   .   HN    parsed_1abz   2   
         71   1   2   .   .   .   .   .   .   .   .   .   20   .   HA    parsed_1abz   2   
         72   1   1   .   .   .   .   .   .   .   .   .   20   .   HN    parsed_1abz   2   
         72   1   2   .   .   .   .   .   .   .   .   .   21   .   HN    parsed_1abz   2   
         73   1   1   .   .   .   .   .   .   .   .   .   21   .   HN    parsed_1abz   2   
         73   1   2   .   .   .   .   .   .   .   .   .   21   .   HB+   parsed_1abz   2   
         74   1   1   .   .   .   .   .   .   .   .   .   21   .   HA    parsed_1abz   2   
         74   1   2   .   .   .   .   .   .   .   .   .   24   .   HG+   parsed_1abz   2   
         75   1   1   .   .   .   .   .   .   .   .   .   21   .   HA    parsed_1abz   2   
         75   1   2   .   .   .   .   .   .   .   .   .   24   .   HB+   parsed_1abz   2   
         76   1   1   .   .   .   .   .   .   .   .   .   22   .   HN    parsed_1abz   2   
         76   1   2   .   .   .   .   .   .   .   .   .   22   .   HB+   parsed_1abz   2   
         77   1   1   .   .   .   .   .   .   .   .   .   22   .   HN    parsed_1abz   2   
         77   1   2   .   .   .   .   .   .   .   .   .   23   .   HN    parsed_1abz   2   
         78   1   1   .   .   .   .   .   .   .   .   .   22   .   HA    parsed_1abz   2   
         78   1   2   .   .   .   .   .   .   .   .   .   25   .   HG    parsed_1abz   2   
         79   1   1   .   .   .   .   .   .   .   .   .   22   .   HB+   parsed_1abz   2   
         79   1   2   .   .   .   .   .   .   .   .   .   23   .   HN    parsed_1abz   2   
         80   1   1   .   .   .   .   .   .   .   .   .   23   .   HB+   parsed_1abz   2   
         80   1   2   .   .   .   .   .   .   .   .   .   24   .   HN    parsed_1abz   2   
         81   1   1   .   .   .   .   .   .   .   .   .   24   .   HA    parsed_1abz   2   
         81   1   2   .   .   .   .   .   .   .   .   .   25   .   HN    parsed_1abz   2   
         82   1   1   .   .   .   .   .   .   .   .   .   25   .   HA    parsed_1abz   2   
         82   1   2   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1abz   2   
         83   1   1   .   .   .   .   .   .   .   .   .   25   .   HB+   parsed_1abz   2   
         83   1   2   .   .   .   .   .   .   .   .   .   26   .   HN    parsed_1abz   2   
         84   1   1   .   .   .   .   .   .   .   .   .   26   .   HN    parsed_1abz   2   
         84   1   2   .   .   .   .   .   .   .   .   .   26   .   HB+   parsed_1abz   2   
         85   1   1   .   .   .   .   .   .   .   .   .   26   .   HA    parsed_1abz   2   
         85   1   2   .   .   .   .   .   .   .   .   .   26   .   HG+   parsed_1abz   2   
         86   1   1   .   .   .   .   .   .   .   .   .   26   .   HA    parsed_1abz   2   
         86   1   2   .   .   .   .   .   .   .   .   .   26   .   HE    parsed_1abz   2   
         87   1   1   .   .   .   .   .   .   .   .   .   26   .   HA    parsed_1abz   2   
         87   1   2   .   .   .   .   .   .   .   .   .   27   .   HN    parsed_1abz   2   
         88   1   1   .   .   .   .   .   .   .   .   .   26   .   HA    parsed_1abz   2   
         88   1   2   .   .   .   .   .   .   .   .   .   29   .   HN    parsed_1abz   2   
         89   1   1   .   .   .   .   .   .   .   .   .   26   .   HB+   parsed_1abz   2   
         89   1   2   .   .   .   .   .   .   .   .   .   27   .   HN    parsed_1abz   2   
         90   1   1   .   .   .   .   .   .   .   .   .   27   .   HA    parsed_1abz   2   
         90   1   2   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1abz   2   
         91   1   1   .   .   .   .   .   .   .   .   .   27   .   HA    parsed_1abz   2   
         91   1   2   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1abz   2   
         92   1   1   .   .   .   .   .   .   .   .   .   27   .   HB+   parsed_1abz   2   
         92   1   2   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1abz   2   
         93   1   1   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1abz   2   
         93   1   2   .   .   .   .   .   .   .   .   .   28   .   HB+   parsed_1abz   2   
         94   1   1   .   .   .   .   .   .   .   .   .   28   .   HA    parsed_1abz   2   
         94   1   2   .   .   .   .   .   .   .   .   .   29   .   HN    parsed_1abz   2   
         95   1   1   .   .   .   .   .   .   .   .   .   28   .   HA    parsed_1abz   2   
         95   1   2   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1abz   2   
         96   1   1   .   .   .   .   .   .   .   .   .   28   .   HA    parsed_1abz   2   
         96   1   2   .   .   .   .   .   .   .   .   .   31   .   HB+   parsed_1abz   2   
         97   1   1   .   .   .   .   .   .   .   .   .   28   .   HB+   parsed_1abz   2   
         97   1   2   .   .   .   .   .   .   .   .   .   29   .   HN    parsed_1abz   2   
         98   1   1   .   .   .   .   .   .   .   .   .   29   .   HA    parsed_1abz   2   
         98   1   2   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1abz   2   
         99   1   1   .   .   .   .   .   .   .   .   .   29   .   HA    parsed_1abz   2   
         99   1   2   .   .   .   .   .   .   .   .   .   32   .   HN    parsed_1abz   2   
        100   1   1   .   .   .   .   .   .   .   .   .   30   .   HB+   parsed_1abz   2   
        100   1   2   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1abz   2   
        101   1   1   .   .   .   .   .   .   .   .   .   31   .   HA    parsed_1abz   2   
        101   1   2   .   .   .   .   .   .   .   .   .   32   .   HN    parsed_1abz   2   
        102   1   1   .   .   .   .   .   .   .   .   .   31   .   HA    parsed_1abz   2   
        102   1   2   .   .   .   .   .   .   .   .   .   34   .   HN    parsed_1abz   2   
        103   1   1   .   .   .   .   .   .   .   .   .   32   .   HN    parsed_1abz   2   
        103   1   2   .   .   .   .   .   .   .   .   .   32   .   HB+   parsed_1abz   2   
        104   1   1   .   .   .   .   .   .   .   .   .   32   .   HA    parsed_1abz   2   
        104   1   2   .   .   .   .   .   .   .   .   .   33   .   HN    parsed_1abz   2   
        105   1   1   .   .   .   .   .   .   .   .   .   32   .   HA    parsed_1abz   2   
        105   1   2   .   .   .   .   .   .   .   .   .   35   .   HN    parsed_1abz   2   
        106   1   1   .   .   .   .   .   .   .   .   .   33   .   HN    parsed_1abz   2   
        106   1   2   .   .   .   .   .   .   .   .   .   33   .   HB+   parsed_1abz   2   
        107   1   1   .   .   .   .   .   .   .   .   .   33   .   HA    parsed_1abz   2   
        107   1   2   .   .   .   .   .   .   .   .   .   33   .   HB+   parsed_1abz   2   
        108   1   1   .   .   .   .   .   .   .   .   .   33   .   HA    parsed_1abz   2   
        108   1   2   .   .   .   .   .   .   .   .   .   34   .   HN    parsed_1abz   2   
        109   1   1   .   .   .   .   .   .   .   .   .   33   .   HA    parsed_1abz   2   
        109   1   2   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1abz   2   
        110   1   1   .   .   .   .   .   .   .   .   .   33   .   HA    parsed_1abz   2   
        110   1   2   .   .   .   .   .   .   .   .   .   36   .   HB    parsed_1abz   2   
        111   1   1   .   .   .   .   .   .   .   .   .   33   .   HB+   parsed_1abz   2   
        111   1   2   .   .   .   .   .   .   .   .   .   34   .   HN    parsed_1abz   2   
        112   1   1   .   .   .   .   .   .   .   .   .   34   .   HA    parsed_1abz   2   
        112   1   2   .   .   .   .   .   .   .   .   .   35   .   HN    parsed_1abz   2   
        113   1   1   .   .   .   .   .   .   .   .   .   35   .   HA    parsed_1abz   2   
        113   1   2   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1abz   2   
        114   1   1   .   .   .   .   .   .   .   .   .   35   .   HB+   parsed_1abz   2   
        114   1   2   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1abz   2   
        115   1   1   .   .   .   .   .   .   .   .   .   36   .   HA    parsed_1abz   2   
        115   1   2   .   .   .   .   .   .   .   .   .   37   .   HN    parsed_1abz   2   
        116   1   1   .   .   .   .   .   .   .   .   .   36   .   HA    parsed_1abz   2   
        116   1   2   .   .   .   .   .   .   .   .   .   36   .   HG*   parsed_1abz   2   
        117   1   1   .   .   .   .   .   .   .   .   .   36   .   HB    parsed_1abz   2   
        117   1   2   .   .   .   .   .   .   .   .   .   36   .   HG*   parsed_1abz   2   
        118   1   1   .   .   .   .   .   .   .   .   .   36   .   HB    parsed_1abz   2   
        118   1   2   .   .   .   .   .   .   .   .   .   37   .   HN    parsed_1abz   2   
        119   1   1   .   .   .   .   .   .   .   .   .   37   .   HN    parsed_1abz   2   
        119   1   2   .   .   .   .   .   .   .   .   .   38   .   HN    parsed_1abz   2   
        120   1   1   .   .   .   .   .   .   .   .   .   37   .   HA    parsed_1abz   2   
        120   1   2   .   .   .   .   .   .   .   .   .   37   .   HB+   parsed_1abz   2   
        121   1   1   .   .   .   .   .   .   .   .   .   37   .   HA    parsed_1abz   2   
        121   1   2   .   .   .   .   .   .   .   .   .   37   .   HG+   parsed_1abz   2   
        122   1   1   .   .   .   .   .   .   .   .   .   37   .   HB+   parsed_1abz   2   
        122   1   2   .   .   .   .   .   .   .   .   .   38   .   HN    parsed_1abz   2   
        123   1   1   .   .   .   .   .   .   .   .   .   38   .   HN    parsed_1abz   2   
        123   1   2   .   .   .   .   .   .   .   .   .   38   .   HB+   parsed_1abz   2   
        124   1   1   .   .   .   .   .   .   .   .   .   38   .   HN    parsed_1abz   2   
        124   1   2   .   .   .   .   .   .   .   .   .   39   .   HN+   parsed_1abz   2   
        125   1   1   .   .   .   .   .   .   .   .   .   38   .   HA    parsed_1abz   2   
        125   1   2   .   .   .   .   .   .   .   .   .   39   .   HN+   parsed_1abz   2   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

          1   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
          2   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
          3   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
          4   1   .   .   .   .   .   2.70   2.00   3.40   parsed_1abz   2   
          5   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
          6   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
          7   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
          8   1   .   .   .   .   .   2.95   2.00   3.90   parsed_1abz   2   
          9   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         10   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         11   1   .   .   .   .   .   2.75   2.00   3.50   parsed_1abz   2   
         12   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         13   1   .   .   .   .   .   2.75   2.00   3.50   parsed_1abz   2   
         14   1   .   .   .   .   .   3.10   2.00   4.20   parsed_1abz   2   
         15   1   .   .   .   .   .   3.05   2.00   4.10   parsed_1abz   2   
         16   1   .   .   .   .   .   3.10   2.00   4.20   parsed_1abz   2   
         17   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
         18   1   .   .   .   .   .   2.60   2.00   3.20   parsed_1abz   2   
         19   1   .   .   .   .   .   2.75   2.00   3.50   parsed_1abz   2   
         20   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         21   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         22   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         23   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         24   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         25   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         26   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         27   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         28   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         29   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         30   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
         31   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         32   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         33   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         34   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         35   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         36   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         37   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
         38   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         39   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         40   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         41   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         42   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         43   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         44   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         45   1   .   .   .   .   .   3.10   2.00   4.20   parsed_1abz   2   
         46   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         47   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         48   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         49   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         50   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         51   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         52   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
         53   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
         54   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         55   1   .   .   .   .   .   2.95   2.00   3.90   parsed_1abz   2   
         56   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         57   1   .   .   .   .   .   3.10   2.00   4.20   parsed_1abz   2   
         58   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         59   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         60   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         61   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         62   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         63   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
         64   1   .   .   .   .   .   2.65   2.00   3.30   parsed_1abz   2   
         65   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         66   1   .   .   .   .   .   3.10   2.00   4.20   parsed_1abz   2   
         67   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         68   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
         69   1   .   .   .   .   .   2.70   2.00   3.40   parsed_1abz   2   
         70   1   .   .   .   .   .   2.60   2.00   3.20   parsed_1abz   2   
         71   1   .   .   .   .   .   2.60   2.00   3.20   parsed_1abz   2   
         72   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         73   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         74   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   2   
         75   1   .   .   .   .   .   3.40   2.00   4.80   parsed_1abz   2   
         76   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         77   1   .   .   .   .   .   2.60   2.00   3.20   parsed_1abz   2   
         78   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         79   1   .   .   .   .   .   3.10   2.00   4.20   parsed_1abz   2   
         80   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         81   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         82   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         83   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         84   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         85   1   .   .   .   .   .   3.15   2.00   4.30   parsed_1abz   2   
         86   1   .   .   .   .   .   3.15   2.00   4.15   parsed_1abz   2   
         87   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         88   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         89   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         90   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         91   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         92   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         93   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         94   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
         95   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
         96   1   .   .   .   .   .   3.30   2.00   4.60   parsed_1abz   2   
         97   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
         98   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
         99   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        100   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
        101   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        102   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
        103   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        104   1   .   .   .   .   .   2.85   2.00   3.70   parsed_1abz   2   
        105   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
        106   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
        107   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
        108   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        109   1   .   .   .   .   .   2.95   2.00   3.90   parsed_1abz   2   
        110   1   .   .   .   .   .   3.10   2.00   4.20   parsed_1abz   2   
        111   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
        112   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        113   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        114   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
        115   1   .   .   .   .   .   2.75   2.00   3.50   parsed_1abz   2   
        116   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
        117   1   .   .   .   .   .   3.25   2.00   4.50   parsed_1abz   2   
        118   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        119   1   .   .   .   .   .   2.60   2.00   3.20   parsed_1abz   2   
        120   1   .   .   .   .   .   2.90   2.00   3.80   parsed_1abz   2   
        121   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1abz   2   
        122   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
        123   1   .   .   .   .   .   2.80   2.00   3.60   parsed_1abz   2   
        124   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
        125   1   .   .   .   .   .   3.20   2.00   4.40   parsed_1abz   2   
    stop_

save_


save_MR_file_comment_6
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1abz 
    _Org_constr_file_comment.ID                  4 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            6 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
{ Beginning NOE class WEAK}
classification WEAK
;

save_


save_CNS/XPLOR_distance_constraints_7
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1abz 
    _Distance_constraint_list.ID                  3 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            7 
    _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_1abz   3   
         2   1   .   .   .   parsed_1abz   3   
         3   1   .   .   .   parsed_1abz   3   
         4   1   .   .   .   parsed_1abz   3   
         5   1   .   .   .   parsed_1abz   3   
         6   1   .   .   .   parsed_1abz   3   
         7   1   .   .   .   parsed_1abz   3   
         8   1   .   .   .   parsed_1abz   3   
         9   1   .   .   .   parsed_1abz   3   
        10   1   .   .   .   parsed_1abz   3   
        11   1   .   .   .   parsed_1abz   3   
        12   1   .   .   .   parsed_1abz   3   
        13   1   .   .   .   parsed_1abz   3   
        14   1   .   .   .   parsed_1abz   3   
        15   1   .   .   .   parsed_1abz   3   
        16   1   .   .   .   parsed_1abz   3   
        17   1   .   .   .   parsed_1abz   3   
        18   1   .   .   .   parsed_1abz   3   
        19   1   .   .   .   parsed_1abz   3   
        20   1   .   .   .   parsed_1abz   3   
        21   1   .   .   .   parsed_1abz   3   
        22   1   .   .   .   parsed_1abz   3   
        23   1   .   .   .   parsed_1abz   3   
        24   1   .   .   .   parsed_1abz   3   
        25   1   .   .   .   parsed_1abz   3   
        26   1   .   .   .   parsed_1abz   3   
        27   1   .   .   .   parsed_1abz   3   
        28   1   .   .   .   parsed_1abz   3   
        29   1   .   .   .   parsed_1abz   3   
        30   1   .   .   .   parsed_1abz   3   
        31   1   .   .   .   parsed_1abz   3   
        32   1   .   .   .   parsed_1abz   3   
        33   1   .   .   .   parsed_1abz   3   
        34   1   .   .   .   parsed_1abz   3   
        35   1   .   .   .   parsed_1abz   3   
        36   1   .   .   .   parsed_1abz   3   
        37   1   .   .   .   parsed_1abz   3   
        38   1   .   .   .   parsed_1abz   3   
        39   1   .   .   .   parsed_1abz   3   
        40   1   .   .   .   parsed_1abz   3   
        41   1   .   .   .   parsed_1abz   3   
        42   1   .   .   .   parsed_1abz   3   
        43   1   .   .   .   parsed_1abz   3   
        44   1   .   .   .   parsed_1abz   3   
        45   1   .   .   .   parsed_1abz   3   
        46   1   .   .   .   parsed_1abz   3   
        47   1   .   .   .   parsed_1abz   3   
        48   1   .   .   .   parsed_1abz   3   
        49   1   .   .   .   parsed_1abz   3   
        50   1   .   .   .   parsed_1abz   3   
        51   1   .   .   .   parsed_1abz   3   
    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   .   .   .   .   .   .   .   .   .    0   .   H3+   parsed_1abz   3   
         1   1   2   .   .   .   .   .   .   .   .   .    2   .   HN    parsed_1abz   3   
         2   1   1   .   .   .   .   .   .   .   .   .    0   .   H3+   parsed_1abz   3   
         2   1   2   .   .   .   .   .   .   .   .   .    2   .   HD1   parsed_1abz   3   
         3   1   1   .   .   .   .   .   .   .   .   .    0   .   H3+   parsed_1abz   3   
         3   1   2   .   .   .   .   .   .   .   .   .    3   .   HB+   parsed_1abz   3   
         4   1   1   .   .   .   .   .   .   .   .   .    0   .   H3+   parsed_1abz   3   
         4   1   2   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   3   
         5   1   1   .   .   .   .   .   .   .   .   .    1   .   HA    parsed_1abz   3   
         5   1   2   .   .   .   .   .   .   .   .   .    4   .   HD+   parsed_1abz   3   
         6   1   1   .   .   .   .   .   .   .   .   .    1   .   HA    parsed_1abz   3   
         6   1   2   .   .   .   .   .   .   .   .   .    4   .   HE+   parsed_1abz   3   
         7   1   1   .   .   .   .   .   .   .   .   .    1   .   HB+   parsed_1abz   3   
         7   1   2   .   .   .   .   .   .   .   .   .    2   .   HN    parsed_1abz   3   
         8   1   1   .   .   .   .   .   .   .   .   .    1   .   HX+   parsed_1abz   3   
         8   1   2   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   3   
         9   1   1   .   .   .   .   .   .   .   .   .    2   .   HZ2   parsed_1abz   3   
         9   1   2   .   .   .   .   .   .   .   .   .    6   .   HG+   parsed_1abz   3   
        10   1   1   .   .   .   .   .   .   .   .   .    2   .   HZ2   parsed_1abz   3   
        10   1   2   .   .   .   .   .   .   .   .   .    6   .   HD+   parsed_1abz   3   
        11   1   1   .   .   .   .   .   .   .   .   .    2   .   HH2   parsed_1abz   3   
        11   1   2   .   .   .   .   .   .   .   .   .    6   .   HG+   parsed_1abz   3   
        12   1   1   .   .   .   .   .   .   .   .   .    2   .   HE3   parsed_1abz   3   
        12   1   2   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   3   
        13   1   1   .   .   .   .   .   .   .   .   .    2   .   HZ3   parsed_1abz   3   
        13   1   2   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   3   
        14   1   1   .   .   .   .   .   .   .   .   .    3   .   HN    parsed_1abz   3   
        14   1   2   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   3   
        15   1   1   .   .   .   .   .   .   .   .   .    3   .   HG    parsed_1abz   3   
        15   1   2   .   .   .   .   .   .   .   .   .    7   .   HG*   parsed_1abz   3   
        16   1   1   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   3   
        16   1   2   .   .   .   .   .   .   .   .   .    7   .   HG*   parsed_1abz   3   
        17   1   1   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   3   
        17   1   2   .   .   .   .   .   .   .   .   .   36   .   HA    parsed_1abz   3   
        18   1   1   .   .   .   .   .   .   .   .   .    3   .   HD*   parsed_1abz   3   
        18   1   2   .   .   .   .   .   .   .   .   .   36   .   HG*   parsed_1abz   3   
        19   1   1   .   .   .   .   .   .   .   .   .    4   .   HN    parsed_1abz   3   
        19   1   2   .   .   .   .   .   .   .   .   .    4   .   HD+   parsed_1abz   3   
        20   1   1   .   .   .   .   .   .   .   .   .    4   .   HD+   parsed_1abz   3   
        20   1   2   .   .   .   .   .   .   .   .   .   36   .   HG*   parsed_1abz   3   
        21   1   1   .   .   .   .   .   .   .   .   .    4   .   HA    parsed_1abz   3   
        21   1   2   .   .   .   .   .   .   .   .   .    7   .   HG*   parsed_1abz   3   
        22   1   1   .   .   .   .   .   .   .   .   .    4   .   HB+   parsed_1abz   3   
        22   1   2   .   .   .   .   .   .   .   .   .    7   .   HG*   parsed_1abz   3   
        23   1   1   .   .   .   .   .   .   .   .   .    7   .   HA    parsed_1abz   3   
        23   1   2   .   .   .   .   .   .   .   .   .   10   .   HG+   parsed_1abz   3   
        24   1   1   .   .   .   .   .   .   .   .   .    7   .   HA    parsed_1abz   3   
        24   1   2   .   .   .   .   .   .   .   .   .   11   .   HD*   parsed_1abz   3   
        25   1   1   .   .   .   .   .   .   .   .   .    7   .   HG*   parsed_1abz   3   
        25   1   2   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   3   
        26   1   1   .   .   .   .   .   .   .   .   .    7   .   HG*   parsed_1abz   3   
        26   1   2   .   .   .   .   .   .   .   .   .   32   .   HA    parsed_1abz   3   
        27   1   1   .   .   .   .   .   .   .   .   .    7   .   HG*   parsed_1abz   3   
        27   1   2   .   .   .   .   .   .   .   .   .   32   .   HB+   parsed_1abz   3   
        28   1   1   .   .   .   .   .   .   .   .   .    9   .   HA    parsed_1abz   3   
        28   1   2   .   .   .   .   .   .   .   .   .   11   .   HN    parsed_1abz   3   
        29   1   1   .   .   .   .   .   .   .   .   .   11   .   HD*   parsed_1abz   3   
        29   1   2   .   .   .   .   .   .   .   .   .   28   .   HG+   parsed_1abz   3   
        30   1   1   .   .   .   .   .   .   .   .   .   12   .   HA    parsed_1abz   3   
        30   1   2   .   .   .   .   .   .   .   .   .   16   .   HN    parsed_1abz   3   
        31   1   1   .   .   .   .   .   .   .   .   .   15   .   HB+   parsed_1abz   3   
        31   1   2   .   .   .   .   .   .   .   .   .   25   .   HG    parsed_1abz   3   
        32   1   1   .   .   .   .   .   .   .   .   .   17   .   HA    parsed_1abz   3   
        32   1   2   .   .   .   .   .   .   .   .   .   17   .   HD+   parsed_1abz   3   
        33   1   1   .   .   .   .   .   .   .   .   .   19   .   HA    parsed_1abz   3   
        33   1   2   .   .   .   .   .   .   .   .   .   21   .   HN    parsed_1abz   3   
        34   1   1   .   .   .   .   .   .   .   .   .   19   .   HG+   parsed_1abz   3   
        34   1   2   .   .   .   .   .   .   .   .   .   21   .   HN    parsed_1abz   3   
        35   1   1   .   .   .   .   .   .   .   .   .   21   .   HA    parsed_1abz   3   
        35   1   2   .   .   .   .   .   .   .   .   .   25   .   HD*   parsed_1abz   3   
        36   1   1   .   .   .   .   .   .   .   .   .   22   .   HA    parsed_1abz   3   
        36   1   2   .   .   .   .   .   .   .   .   .   25   .   HB+   parsed_1abz   3   
        37   1   1   .   .   .   .   .   .   .   .   .   22   .   HA    parsed_1abz   3   
        37   1   2   .   .   .   .   .   .   .   .   .   25   .   HD*   parsed_1abz   3   
        38   1   1   .   .   .   .   .   .   .   .   .   22   .   HB+   parsed_1abz   3   
        38   1   2   .   .   .   .   .   .   .   .   .   25   .   HD*   parsed_1abz   3   
        39   1   1   .   .   .   .   .   .   .   .   .   22   .   HB+   parsed_1abz   3   
        39   1   2   .   .   .   .   .   .   .   .   .   25   .   HD*   parsed_1abz   3   
        40   1   1   .   .   .   .   .   .   .   .   .   25   .   HD*   parsed_1abz   3   
        40   1   2   .   .   .   .   .   .   .   .   .   26   .   HH*   parsed_1abz   3   
        41   1   1   .   .   .   .   .   .   .   .   .   28   .   HA    parsed_1abz   3   
        41   1   2   .   .   .   .   .   .   .   .   .   31   .   HD+   parsed_1abz   3   
        42   1   1   .   .   .   .   .   .   .   .   .   28   .   HA    parsed_1abz   3   
        42   1   2   .   .   .   .   .   .   .   .   .   32   .   HN    parsed_1abz   3   
        43   1   1   .   .   .   .   .   .   .   .   .   28   .   HG+   parsed_1abz   3   
        43   1   2   .   .   .   .   .   .   .   .   .   32   .   HD*   parsed_1abz   3   
        44   1   1   .   .   .   .   .   .   .   .   .   28   .   HG+   parsed_1abz   3   
        44   1   2   .   .   .   .   .   .   .   .   .   32   .   HB+   parsed_1abz   3   
        45   1   1   .   .   .   .   .   .   .   .   .   29   .   HA    parsed_1abz   3   
        45   1   2   .   .   .   .   .   .   .   .   .   32   .   HD*   parsed_1abz   3   
        46   1   1   .   .   .   .   .   .   .   .   .   29   .   HA    parsed_1abz   3   
        46   1   2   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1abz   3   
        47   1   1   .   .   .   .   .   .   .   .   .   32   .   HG    parsed_1abz   3   
        47   1   2   .   .   .   .   .   .   .   .   .   36   .   HG*   parsed_1abz   3   
        48   1   1   .   .   .   .   .   .   .   .   .   33   .   HA    parsed_1abz   3   
        48   1   2   .   .   .   .   .   .   .   .   .   36   .   HD*   parsed_1abz   3   
        49   1   1   .   .   .   .   .   .   .   .   .   33   .   HG+   parsed_1abz   3   
        49   1   2   .   .   .   .   .   .   .   .   .   36   .   HG*   parsed_1abz   3   
        50   1   1   .   .   .   .   .   .   .   .   .   34   .   HA    parsed_1abz   3   
        50   1   2   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1abz   3   
        51   1   1   .   .   .   .   .   .   .   .   .   36   .   HA    parsed_1abz   3   
        51   1   2   .   .   .   .   .   .   .   .   .   38   .   HN+   parsed_1abz   3   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   3   
         2   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   3   
         3   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
         4   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
         5   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   3   
         6   1   .   .   .   .   .   3.60   2.00   5.20   parsed_1abz   3   
         7   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   3   
         8   1   .   .   .   .   .   3.80   2.00   5.60   parsed_1abz   3   
         9   1   .   .   .   .   .   3.60   2.00   5.20   parsed_1abz   3   
        10   1   .   .   .   .   .   3.85   2.00   5.70   parsed_1abz   3   
        11   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        12   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        13   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        14   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        15   1   .   .   .   .   .   4.20   2.00   6.40   parsed_1abz   3   
        16   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
        17   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        18   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
        19   1   .   .   .   .   .   3.80   2.00   5.60   parsed_1abz   3   
        20   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
        21   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        22   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
        23   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   3   
        24   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        25   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        26   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        27   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
        28   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        29   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        30   1   .   .   .   .   .   3.60   2.00   5.20   parsed_1abz   3   
        31   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        32   1   .   .   .   .   .   3.60   2.00   5.20   parsed_1abz   3   
        33   1   .   .   .   .   .   3.40   2.00   4.80   parsed_1abz   3   
        34   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        35   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
        36   1   .   .   .   .   .   3.40   2.00   4.80   parsed_1abz   3   
        37   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   3   
        38   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        39   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        40   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        41   1   .   .   .   .   .   3.40   2.00   4.80   parsed_1abz   3   
        42   1   .   .   .   .   .   3.50   2.00   5.00   parsed_1abz   3   
        43   1   .   .   .   .   .   4.50   2.00   7.00   parsed_1abz   3   
        44   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        45   1   .   .   .   .   .   3.80   2.00   5.60   parsed_1abz   3   
        46   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        47   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        48   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        49   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        50   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1abz   3   
        51   1   .   .   .   .   .   3.40   2.00   4.80   parsed_1abz   3   
    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   "End of NOE restraints"    54   1   54   1   parsed_1abz   3   
    stop_

save_


save_MR_file_comment_8
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1abz 
    _Org_constr_file_comment.ID                  5 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            8 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;

! dihedral restraints for yf4
! phi angle restraints

restraints dihedral
;

save_


save_CNS/XPLOR_dihedral_9
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1abz 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            9 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .    1   .   C   .    2   .   N   .    2   .   CA   .    2   .   C   parsed_1abz   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .    2   .   C   .    3   .   N   .    3   .   CA   .    3   .   C   parsed_1abz   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .    3   .   C   .    4   .   N   .    4   .   CA   .    4   .   C   parsed_1abz   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .    5   .   C   .    6   .   N   .    6   .   CA   .    6   .   C   parsed_1abz   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .    6   .   C   .    7   .   N   .    7   .   CA   .    7   .   C   parsed_1abz   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .    8   .   C   .    9   .   N   .    9   .   CA   .    9   .   C   parsed_1abz   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   10   .   C   .   11   .   N   .   11   .   CA   .   11   .   C   parsed_1abz   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   11   .   C   .   12   .   N   .   12   .   CA   .   12   .   C   parsed_1abz   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   13   .   C   .   14   .   N   .   14   .   CA   .   14   .   C   parsed_1abz   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   15   .   C   .   16   .   N   .   16   .   CA   .   16   .   C   parsed_1abz   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   23   .   C   .   24   .   N   .   24   .   CA   .   24   .   C   parsed_1abz   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   24   .   C   .   25   .   N   .   25   .   CA   .   25   .   C   parsed_1abz   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   26   .   C   .   27   .   N   .   27   .   CA   .   27   .   C   parsed_1abz   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   27   .   C   .   28   .   N   .   28   .   CA   .   28   .   C   parsed_1abz   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   28   .   C   .   29   .   N   .   29   .   CA   .   29   .   C   parsed_1abz   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   29   .   C   .   30   .   N   .   30   .   CA   .   30   .   C   parsed_1abz   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   32   .   C   .   33   .   N   .   33   .   CA   .   33   .   C   parsed_1abz   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   33   .   C   .   34   .   N   .   34   .   CA   .   34   .   C   parsed_1abz   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   34   .   C   .   35   .   N   .   35   .   CA   .   35   .   C   parsed_1abz   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90   -40   .   .   36   .   C   .   37   .   N   .   37   .   CA   .   37   .   C   parsed_1abz   1   
    stop_

save_


save_MR_file_comment_10
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1abz 
    _Org_constr_file_comment.ID                  6 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            10 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
end

;

save_





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