NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype item_count
572342 2m78 19176 cing 2-parsed STAR entry full 164


data_2m78_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m78 
    _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_2m78   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m78 
    _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   2m78   "Master copy"    parsed_2m78   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m78 
    _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   2m78.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2m78   1   
        1   2m78.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             108   parsed_2m78   1   
        1   2m78.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     40   parsed_2m78   1   
        1   2m78.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple              16   parsed_2m78   1   
        1   2m78.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2m78   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_2m78 
    _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    CELL ADHESION                           19-APR-13   2M78              
*TITLE     [ASP11]RTD-1                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: [ASP11]RTD-1;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, INTEGRIN-     
*KEYWDS   2 BINDING, CELL ADHESION                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.CONIBEAR, A.BOCHEN, K.ROSENGREN, H.KESSLER, D.J.CRAIK             
*REVDAT   1   05-FEB-14 2M78    0                                                


;

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2m78 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

          1   1   .   .   .   parsed_2m78   1   
          2   1   .   .   .   parsed_2m78   1   
          3   1   .   .   .   parsed_2m78   1   
          4   1   .   .   .   parsed_2m78   1   
          5   1   .   .   .   parsed_2m78   1   
          6   1   .   .   .   parsed_2m78   1   
          7   1   .   .   .   parsed_2m78   1   
          8   1   .   .   .   parsed_2m78   1   
          9   1   .   .   .   parsed_2m78   1   
         10   1   .   .   .   parsed_2m78   1   
         11   1   .   .   .   parsed_2m78   1   
         12   1   .   .   .   parsed_2m78   1   
         13   1   .   .   .   parsed_2m78   1   
         14   1   .   .   .   parsed_2m78   1   
         15   1   .   .   .   parsed_2m78   1   
         16   1   .   .   .   parsed_2m78   1   
         17   1   .   .   .   parsed_2m78   1   
         18   1   .   .   .   parsed_2m78   1   
         19   1   .   .   .   parsed_2m78   1   
         20   1   .   .   .   parsed_2m78   1   
         21   1   .   .   .   parsed_2m78   1   
         22   1   .   .   .   parsed_2m78   1   
         23   1   .   .   .   parsed_2m78   1   
         24   1   .   .   .   parsed_2m78   1   
         25   1   .   .   .   parsed_2m78   1   
         26   1   .   .   .   parsed_2m78   1   
         27   1   .   .   .   parsed_2m78   1   
         28   1   .   .   .   parsed_2m78   1   
         29   1   .   .   .   parsed_2m78   1   
         30   1   .   .   .   parsed_2m78   1   
         31   1   .   .   .   parsed_2m78   1   
         32   1   .   .   .   parsed_2m78   1   
         33   1   .   .   .   parsed_2m78   1   
         34   1   .   .   .   parsed_2m78   1   
         35   1   .   .   .   parsed_2m78   1   
         36   1   .   .   .   parsed_2m78   1   
         37   1   .   .   .   parsed_2m78   1   
         38   1   .   .   .   parsed_2m78   1   
         39   1   .   .   .   parsed_2m78   1   
         40   1   .   .   .   parsed_2m78   1   
         41   1   .   .   .   parsed_2m78   1   
         42   1   .   .   .   parsed_2m78   1   
         43   1   .   .   .   parsed_2m78   1   
         44   1   .   .   .   parsed_2m78   1   
         45   1   .   .   .   parsed_2m78   1   
         46   1   .   .   .   parsed_2m78   1   
         47   1   .   .   .   parsed_2m78   1   
         48   1   .   .   .   parsed_2m78   1   
         49   1   .   .   .   parsed_2m78   1   
         50   1   .   .   .   parsed_2m78   1   
         51   1   .   .   .   parsed_2m78   1   
         52   1   .   .   .   parsed_2m78   1   
         53   1   .   .   .   parsed_2m78   1   
         54   1   .   .   .   parsed_2m78   1   
         55   1   .   .   .   parsed_2m78   1   
         56   1   .   .   .   parsed_2m78   1   
         57   1   .   .   .   parsed_2m78   1   
         58   1   .   .   .   parsed_2m78   1   
         59   1   .   .   .   parsed_2m78   1   
         60   1   .   .   .   parsed_2m78   1   
         61   1   .   .   .   parsed_2m78   1   
         62   1   .   .   .   parsed_2m78   1   
         63   1   .   .   .   parsed_2m78   1   
         64   1   .   .   .   parsed_2m78   1   
         65   1   .   .   .   parsed_2m78   1   
         66   1   .   .   .   parsed_2m78   1   
         67   1   .   .   .   parsed_2m78   1   
         68   1   .   .   .   parsed_2m78   1   
         69   1   .   .   .   parsed_2m78   1   
         70   1   .   .   .   parsed_2m78   1   
         71   1   .   .   .   parsed_2m78   1   
         72   1   .   .   .   parsed_2m78   1   
         73   1   .   .   .   parsed_2m78   1   
         74   1   .   .   .   parsed_2m78   1   
         75   1   .   .   .   parsed_2m78   1   
         76   1   .   .   .   parsed_2m78   1   
         77   1   .   .   .   parsed_2m78   1   
         78   1   .   .   .   parsed_2m78   1   
         79   1   .   .   .   parsed_2m78   1   
         80   1   .   .   .   parsed_2m78   1   
         81   1   .   .   .   parsed_2m78   1   
         82   1   .   .   .   parsed_2m78   1   
         83   1   .   .   .   parsed_2m78   1   
         84   1   .   .   .   parsed_2m78   1   
         85   1   .   .   .   parsed_2m78   1   
         86   1   .   .   .   parsed_2m78   1   
         87   1   .   .   .   parsed_2m78   1   
         88   1   .   .   .   parsed_2m78   1   
         89   1   .   .   .   parsed_2m78   1   
         90   1   .   .   .   parsed_2m78   1   
         91   1   .   .   .   parsed_2m78   1   
         92   1   .   .   .   parsed_2m78   1   
         93   1   .   .   .   parsed_2m78   1   
         94   1   .   .   .   parsed_2m78   1   
         95   1   .   .   .   parsed_2m78   1   
         96   1   .   .   .   parsed_2m78   1   
         97   1   .   .   .   parsed_2m78   1   
         98   1   .   .   .   parsed_2m78   1   
         99   1   .   .   .   parsed_2m78   1   
        100   1   .   .   .   parsed_2m78   1   
        101   1   .   .   .   parsed_2m78   1   
        102   1   .   .   .   parsed_2m78   1   
        103   1   .   .   .   parsed_2m78   1   
        104   1   .   .   .   parsed_2m78   1   
        105   1   .   .   .   parsed_2m78   1   
        106   1   .   .   .   parsed_2m78   1   
        107   1   .   .   .   parsed_2m78   1   
        108   1   .   .   .   parsed_2m78   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   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_2m78   1   
          1   1   2   .   .   .   .   .   .   .   .   .   17   .   HB     parsed_2m78   1   
          2   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
          2   1   2   .   .   .   .   .   .   .   .   .   18   .   HA     parsed_2m78   1   
          3   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
          3   1   2   .   .   .   .   .   .   .   .   .   18   .   HB1    parsed_2m78   1   
          4   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
          4   1   2   .   .   .   .   .   .   .   .   .   18   .   HB2    parsed_2m78   1   
          5   1   1   .   .   .   .   .   .   .   .   .    2   .   HN     parsed_2m78   1   
          5   1   2   .   .   .   .   .   .   .   .   .    2   .   HB1    parsed_2m78   1   
          6   1   1   .   .   .   .   .   .   .   .   .    2   .   HN     parsed_2m78   1   
          6   1   2   .   .   .   .   .   .   .   .   .    2   .   HB2    parsed_2m78   1   
          7   1   1   .   .   .   .   .   .   .   .   .    3   .   HN     parsed_2m78   1   
          7   1   2   .   .   .   .   .   .   .   .   .    3   .   HB1    parsed_2m78   1   
          8   1   1   .   .   .   .   .   .   .   .   .    3   .   HN     parsed_2m78   1   
          8   1   2   .   .   .   .   .   .   .   .   .    3   .   HB2    parsed_2m78   1   
          9   1   1   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_2m78   1   
          9   1   2   .   .   .   .   .   .   .   .   .    5   .   HB2    parsed_2m78   1   
         10   1   1   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_2m78   1   
         10   1   2   .   .   .   .   .   .   .   .   .    5   .   HB1    parsed_2m78   1   
         11   1   1   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_2m78   1   
         11   1   2   .   .   .   .   .   .   .   .   .    7   .   HB1    parsed_2m78   1   
         12   1   1   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_2m78   1   
         12   1   2   .   .   .   .   .   .   .   .   .    7   .   HB2    parsed_2m78   1   
         13   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         13   1   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_2m78   1   
         14   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         14   1   2   .   .   .   .   .   .   .   .   .    9   .   HB2    parsed_2m78   1   
         15   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         15   1   2   .   .   .   .   .   .   .   .   .    9   .   HB1    parsed_2m78   1   
         16   1   1   .   .   .   .   .   .   .   .   .   11   .   HN     parsed_2m78   1   
         16   1   2   .   .   .   .   .   .   .   .   .   11   .   HB1    parsed_2m78   1   
         17   1   1   .   .   .   .   .   .   .   .   .   11   .   HN     parsed_2m78   1   
         17   1   2   .   .   .   .   .   .   .   .   .   11   .   HB2    parsed_2m78   1   
         18   1   1   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_2m78   1   
         18   1   2   .   .   .   .   .   .   .   .   .   12   .   HB2    parsed_2m78   1   
         19   1   1   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_2m78   1   
         19   1   2   .   .   .   .   .   .   .   .   .   12   .   HB1    parsed_2m78   1   
         20   1   1   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_2m78   1   
         20   1   2   .   .   .   .   .   .   .   .   .   14   .   HB2    parsed_2m78   1   
         21   1   1   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_2m78   1   
         21   1   2   .   .   .   .   .   .   .   .   .   14   .   HB1    parsed_2m78   1   
         22   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         22   1   2   .   .   .   .   .   .   .   .   .   15   .   HB     parsed_2m78   1   
         23   1   1   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_2m78   1   
         23   1   2   .   .   .   .   .   .   .   .   .   16   .   HB2    parsed_2m78   1   
         24   1   1   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_2m78   1   
         24   1   2   .   .   .   .   .   .   .   .   .   16   .   HB1    parsed_2m78   1   
         25   1   1   .   .   .   .   .   .   .   .   .    1   .   HN     parsed_2m78   1   
         25   1   2   .   .   .   .   .   .   .   .   .    2   .   HN     parsed_2m78   1   
         26   1   1   .   .   .   .   .   .   .   .   .    1   .   HN     parsed_2m78   1   
         26   1   2   .   .   .   .   .   .   .   .   .   18   .   HA     parsed_2m78   1   
         27   1   1   .   .   .   .   .   .   .   .   .    2   .   HN     parsed_2m78   1   
         27   1   2   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_2m78   1   
         28   1   1   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2m78   1   
         28   1   2   .   .   .   .   .   .   .   .   .    3   .   HN     parsed_2m78   1   
         29   1   1   .   .   .   .   .   .   .   .   .    2   .   HB1    parsed_2m78   1   
         29   1   2   .   .   .   .   .   .   .   .   .    3   .   HN     parsed_2m78   1   
         30   1   1   .   .   .   .   .   .   .   .   .    2   .   HB2    parsed_2m78   1   
         30   1   2   .   .   .   .   .   .   .   .   .    3   .   HN     parsed_2m78   1   
         31   1   1   .   .   .   .   .   .   .   .   .    3   .   HA     parsed_2m78   1   
         31   1   2   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_2m78   1   
         32   1   1   .   .   .   .   .   .   .   .   .    3   .   HA     parsed_2m78   1   
         32   1   2   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         33   1   1   .   .   .   .   .   .   .   .   .    3   .   HA     parsed_2m78   1   
         33   1   2   .   .   .   .   .   .   .   .   .   16   .   HA     parsed_2m78   1   
         34   1   1   .   .   .   .   .   .   .   .   .    3   .   HB1    parsed_2m78   1   
         34   1   2   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         35   1   1   .   .   .   .   .   .   .   .   .    3   .   HB2    parsed_2m78   1   
         35   1   2   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         36   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         36   1   2   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         37   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         37   1   2   .   .   .   .   .   .   .   .   .   16   .   HA     parsed_2m78   1   
         38   1   1   .   .   .   .   .   .   .   .   .    4   .   HA     parsed_2m78   1   
         38   1   2   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_2m78   1   
         39   1   1   .   .   .   .   .   .   .   .   .    4   .   HB#    parsed_2m78   1   
         39   1   2   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_2m78   1   
         40   1   1   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_2m78   1   
         40   1   2   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_2m78   1   
         41   1   1   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_2m78   1   
         41   1   2   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         42   1   1   .   .   .   .   .   .   .   .   .    5   .   HB2    parsed_2m78   1   
         42   1   2   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_2m78   1   
         43   1   1   .   .   .   .   .   .   .   .   .    5   .   HB1    parsed_2m78   1   
         43   1   2   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_2m78   1   
         44   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_2m78   1   
         44   1   2   .   .   .   .   .   .   .   .   .   14   .   HA     parsed_2m78   1   
         45   1   1   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_2m78   1   
         45   1   2   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_2m78   1   
         46   1   1   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_2m78   1   
         46   1   2   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_2m78   1   
         47   1   1   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_2m78   1   
         47   1   2   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_2m78   1   
         48   1   1   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_2m78   1   
         48   1   2   .   .   .   .   .   .   .   .   .   12   .   HA     parsed_2m78   1   
         49   1   1   .   .   .   .   .   .   .   .   .    7   .   HB1    parsed_2m78   1   
         49   1   2   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_2m78   1   
         50   1   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_2m78   1   
         50   1   2   .   .   .   .   .   .   .   .   .   11   .   HN     parsed_2m78   1   
         51   1   1   .   .   .   .   .   .   .   .   .    8   .   HB#    parsed_2m78   1   
         51   1   2   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         52   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         52   1   2   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_2m78   1   
         53   1   1   .   .   .   .   .   .   .   .   .    8   .   HA     parsed_2m78   1   
         53   1   2   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         54   1   1   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_2m78   1   
         54   1   2   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_2m78   1   
         55   1   1   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_2m78   1   
         55   1   2   .   .   .   .   .   .   .   .   .   11   .   HN     parsed_2m78   1   
         56   1   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_2m78   1   
         56   1   2   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_2m78   1   
         57   1   1   .   .   .   .   .   .   .   .   .   12   .   HB2    parsed_2m78   1   
         57   1   2   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_2m78   1   
         58   1   1   .   .   .   .   .   .   .   .   .   12   .   HB1    parsed_2m78   1   
         58   1   2   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_2m78   1   
         59   1   1   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_2m78   1   
         59   1   2   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_2m78   1   
         60   1   1   .   .   .   .   .   .   .   .   .   13   .   HB#    parsed_2m78   1   
         60   1   2   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_2m78   1   
         61   1   1   .   .   .   .   .   .   .   .   .   14   .   HA     parsed_2m78   1   
         61   1   2   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         62   1   1   .   .   .   .   .   .   .   .   .   14   .   HB2    parsed_2m78   1   
         62   1   2   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         63   1   1   .   .   .   .   .   .   .   .   .   14   .   HB1    parsed_2m78   1   
         63   1   2   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         64   1   1   .   .   .   .   .   .   .   .   .   15   .   HA     parsed_2m78   1   
         64   1   2   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_2m78   1   
         65   1   1   .   .   .   .   .   .   .   .   .   16   .   HA     parsed_2m78   1   
         65   1   2   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_2m78   1   
         66   1   1   .   .   .   .   .   .   .   .   .   16   .   HB2    parsed_2m78   1   
         66   1   2   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_2m78   1   
         67   1   1   .   .   .   .   .   .   .   .   .   16   .   HB1    parsed_2m78   1   
         67   1   2   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_2m78   1   
         68   1   1   .   .   .   .   .   .   .   .   .   17   .   HA     parsed_2m78   1   
         68   1   2   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
         69   1   1   .   .   .   .   .   .   .   .   .   17   .   HB     parsed_2m78   1   
         69   1   2   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
         70   1   1   .   .   .   .   .   .   .   .   .    1   .   HN     parsed_2m78   1   
         70   1   2   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
         71   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
         71   1   2   .   .   .   .   .   .   .   .   .   18   .   HD#    parsed_2m78   1   
         72   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
         72   1   2   .   .   .   .   .   .   .   .   .   18   .   HG1    parsed_2m78   1   
         73   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
         73   1   2   .   .   .   .   .   .   .   .   .   18   .   HG2    parsed_2m78   1   
         74   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         74   1   2   .   .   .   .   .   .   .   .   .    4   .   HD#    parsed_2m78   1   
         75   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         75   1   2   .   .   .   .   .   .   .   .   .    4   .   HG#    parsed_2m78   1   
         76   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_2m78   1   
         76   1   2   .   .   .   .   .   .   .   .   .    6   .   HG     parsed_2m78   1   
         77   1   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_2m78   1   
         77   1   2   .   .   .   .   .   .   .   .   .    8   .   HD#    parsed_2m78   1   
         78   1   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_2m78   1   
         78   1   2   .   .   .   .   .   .   .   .   .    8   .   HG1    parsed_2m78   1   
         79   1   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_2m78   1   
         79   1   2   .   .   .   .   .   .   .   .   .    8   .   HG2    parsed_2m78   1   
         80   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         80   1   2   .   .   .   .   .   .   .   .   .    9   .   HD#    parsed_2m78   1   
         81   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_2m78   1   
         81   1   2   .   .   .   .   .   .   .   .   .    9   .   HG#    parsed_2m78   1   
         82   1   1   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_2m78   1   
         82   1   2   .   .   .   .   .   .   .   .   .   13   .   HD#    parsed_2m78   1   
         83   1   1   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_2m78   1   
         83   1   2   .   .   .   .   .   .   .   .   .   13   .   HG#    parsed_2m78   1   
         84   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         84   1   2   .   .   .   .   .   .   .   .   .   15   .   HG11   parsed_2m78   1   
         85   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         85   1   2   .   .   .   .   .   .   .   .   .   15   .   HG12   parsed_2m78   1   
         86   1   1   .   .   .   .   .   .   .   .   .    1   .   HN     parsed_2m78   1   
         86   1   2   .   .   .   .   .   .   .   .   .   18   .   HB2    parsed_2m78   1   
         87   1   1   .   .   .   .   .   .   .   .   .    1   .   HN     parsed_2m78   1   
         87   1   2   .   .   .   .   .   .   .   .   .   18   .   HB1    parsed_2m78   1   
         88   1   1   .   .   .   .   .   .   .   .   .    2   .   HN     parsed_2m78   1   
         88   1   2   .   .   .   .   .   .   .   .   .   18   .   HB1    parsed_2m78   1   
         89   1   1   .   .   .   .   .   .   .   .   .    4   .   HD#    parsed_2m78   1   
         89   1   2   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_2m78   1   
         90   1   1   .   .   .   .   .   .   .   .   .    4   .   HG#    parsed_2m78   1   
         90   1   2   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_2m78   1   
         91   1   1   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_2m78   1   
         91   1   2   .   .   .   .   .   .   .   .   .    9   .   HD#    parsed_2m78   1   
         92   1   1   .   .   .   .   .   .   .   .   .   13   .   HG#    parsed_2m78   1   
         92   1   2   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_2m78   1   
         93   1   1   .   .   .   .   .   .   .   .   .   18   .   HA     parsed_2m78   1   
         93   1   2   .   .   .   .   .   .   .   .   .   18   .   HD#    parsed_2m78   1   
         94   1   1   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_2m78   1   
         94   1   2   .   .   .   .   .   .   .   .   .   17   .   HG2#   parsed_2m78   1   
         95   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_2m78   1   
         95   1   2   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_2m78   1   
         96   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         96   1   2   .   .   .   .   .   .   .   .   .   15   .   HG2#   parsed_2m78   1   
         97   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
         97   1   2   .   .   .   .   .   .   .   .   .   15   .   HD1#   parsed_2m78   1   
         98   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_2m78   1   
         98   1   2   .   .   .   .   .   .   .   .   .   15   .   HG2#   parsed_2m78   1   
         99   1   1   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_2m78   1   
         99   1   2   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_2m78   1   
        100   1   1   .   .   .   .   .   .   .   .   .   15   .   HG2#   parsed_2m78   1   
        100   1   2   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_2m78   1   
        101   1   1   .   .   .   .   .   .   .   .   .   15   .   HD1#   parsed_2m78   1   
        101   1   2   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_2m78   1   
        102   1   1   .   .   .   .   .   .   .   .   .   15   .   HA     parsed_2m78   1   
        102   1   2   .   .   .   .   .   .   .   .   .   15   .   HD1#   parsed_2m78   1   
        103   1   1   .   .   .   .   .   .   .   .   .   17   .   HG2#   parsed_2m78   1   
        103   1   2   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_2m78   1   
        104   1   1   .   .   .   .   .   .   .   .   .    2   .   HB#    parsed_2m78   1   
        104   1   2   .   .   .   .   .   .   .   .   .    3   .   HN     parsed_2m78   1   
        105   1   1   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_2m78   1   
        105   1   2   .   .   .   .   .   .   .   .   .   10   .   HA#    parsed_2m78   1   
        106   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_2m78   1   
        106   1   2   .   .   .   .   .   .   .   .   .   15   .   HG1#   parsed_2m78   1   
        107   1   1   .   .   .   .   .   .   .   .   .   18   .   HA     parsed_2m78   1   
        107   1   2   .   .   .   .   .   .   .   .   .   18   .   HG#    parsed_2m78   1   
        108   1   1   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_2m78   1   
        108   1   2   .   .   .   .   .   .   .   .   .   14   .   HA     parsed_2m78   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   .   .   .   .   .   2.675   1.800     3.550   parsed_2m78   1   
          2   1   .   .   .   .   .   2.255   1.800     2.710   parsed_2m78   1   
          3   1   .   .   .   .   .   2.860   1.800     3.920   parsed_2m78   1   
          4   1   .   .   .   .   .   2.970   1.800     4.140   parsed_2m78   1   
          5   1   .   .   .   .   .   2.520   1.800     3.240   parsed_2m78   1   
          6   1   .   .   .   .   .   2.520   1.800     3.240   parsed_2m78   1   
          7   1   .   .   .   .   .   2.905   1.800     4.010   parsed_2m78   1   
          8   1   .   .   .   .   .   2.550   1.800     3.300   parsed_2m78   1   
          9   1   .   .   .   .   .   2.270   1.800     2.740   parsed_2m78   1   
         10   1   .   .   .   .   .   2.735   1.800     3.670   parsed_2m78   1   
         11   1   .   .   .   .   .   2.815   1.800     3.830   parsed_2m78   1   
         12   1   .   .   .   .   .   2.270   1.800     2.740   parsed_2m78   1   
         13   1   .   .   .   .   .   2.255   1.800     2.710   parsed_2m78   1   
         14   1   .   .   .   .   .   2.955   1.800     4.110   parsed_2m78   1   
         15   1   .   .   .   .   .   2.845   1.800     3.890   parsed_2m78   1   
         16   1   .   .   .   .   .   2.565   1.800     3.330   parsed_2m78   1   
         17   1   .   .   .   .   .   2.565   1.800     3.330   parsed_2m78   1   
         18   1   .   .   .   .   .   2.535   1.800     3.270   parsed_2m78   1   
         19   1   .   .   .   .   .   2.845   1.800     3.890   parsed_2m78   1   
         20   1   .   .   .   .   .   2.285   1.800     2.770   parsed_2m78   1   
         21   1   .   .   .   .   .   2.780   1.800     3.760   parsed_2m78   1   
         22   1   .   .   .   .   .   2.455   1.800     3.110   parsed_2m78   1   
         23   1   .   .   .   .   .   2.535   1.800     3.270   parsed_2m78   1   
         24   1   .   .   .   .   .   2.875   1.800     3.950   parsed_2m78   1   
         25   1   .   .   .   .   .   2.535   1.800     3.270   parsed_2m78   1   
         26   1   .   .   .   .   .   2.455   1.800     3.110   parsed_2m78   1   
         27   1   .   .   .   .   .   2.610   1.800     3.420   parsed_2m78   1   
         28   1   .   .   .   .   .   2.285   1.800     2.770   parsed_2m78   1   
         29   1   .   .   .   .   .   2.985   1.800     4.170   parsed_2m78   1   
         30   1   .   .   .   .   .   2.985   1.800     4.170   parsed_2m78   1   
         31   1   .   .   .   .   .   2.625   1.800     3.450   parsed_2m78   1   
         32   1   .   .   .   .   .   2.130   1.800     2.460   parsed_2m78   1   
         33   1   .   .   .   .   .   2.240   2.050     2.680   parsed_2m78   1   
         34   1   .   .   .   .   .   2.565   1.800     3.330   parsed_2m78   1   
         35   1   .   .   .   .   .   2.890   1.800     3.980   parsed_2m78   1   
         36   1   .   .   .   .   .   2.690   1.800     3.580   parsed_2m78   1   
         37   1   .   .   .   .   .   2.625   1.800     3.450   parsed_2m78   1   
         38   1   .   .   .   .   .   2.240   1.800     2.680   parsed_2m78   1   
         39   1   .   .   .   .   .   3.315   1.800     4.830   parsed_2m78   1   
         40   1   .   .   .   .   .   2.130   1.800     2.460   parsed_2m78   1   
         41   1   .   .   .   .   .   2.240   1.800     2.680   parsed_2m78   1   
         42   1   .   .   .   .   .   2.765   1.800     3.730   parsed_2m78   1   
         43   1   .   .   .   .   .   2.580   1.800     3.360   parsed_2m78   1   
         44   1   .   .   .   .   .   2.315   1.800     2.830   parsed_2m78   1   
         45   1   .   .   .   .   .   2.100   1.800     2.400   parsed_2m78   1   
         46   1   .   .   .   .   .   2.180   1.800     2.560   parsed_2m78   1   
         47   1   .   .   .   .   .   2.535   1.800     3.270   parsed_2m78   1   
         48   1   .   .   .   .   .   2.300   2.050     2.800   parsed_2m78   1   
         49   1   .   .   .   .   .   2.640   1.800     3.480   parsed_2m78   1   
         50   1   .   .   .   .   .   2.625   1.800     3.450   parsed_2m78   1   
         51   1   .   .   .   .   .   3.470   1.800     5.140   parsed_2m78   1   
         52   1   .   .   .   .   .   2.625   1.800     3.450   parsed_2m78   1   
         53   1   .   .   .   .   .   2.225   1.800     2.650   parsed_2m78   1   
         54   1   .   .   .   .   .   2.425   1.800     3.050   parsed_2m78   1   
         55   1   .   .   .   .   .   2.550   1.800     3.300   parsed_2m78   1   
         56   1   .   .   .   .   .   2.300   1.800     2.800   parsed_2m78   1   
         57   1   .   .   .   .   .   2.815   1.800     3.830   parsed_2m78   1   
         58   1   .   .   .   .   .   2.595   1.800     3.390   parsed_2m78   1   
         59   1   .   .   .   .   .   2.145   1.800     2.490   parsed_2m78   1   
         60   1   .   .   .   .   .   3.315   1.800     4.830   parsed_2m78   1   
         61   1   .   .   .   .   .   2.195   1.800     2.590   parsed_2m78   1   
         62   1   .   .   .   .   .   2.815   1.800     3.830   parsed_2m78   1   
         63   1   .   .   .   .   .   2.595   1.800     3.390   parsed_2m78   1   
         64   1   .   .   .   .   .   2.210   1.800     2.620   parsed_2m78   1   
         65   1   .   .   .   .   .   2.145   1.800     2.490   parsed_2m78   1   
         66   1   .   .   .   .   .   2.830   1.800     3.860   parsed_2m78   1   
         67   1   .   .   .   .   .   2.675   1.800     3.550   parsed_2m78   1   
         68   1   .   .   .   .   .   2.225   1.800     2.650   parsed_2m78   1   
         69   1   .   .   .   .   .   2.815   1.800     3.830   parsed_2m78   1   
         70   1   .   .   .   .   .   2.625   1.800     3.450   parsed_2m78   1   
         71   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         72   1   .   .   .   .   .   3.230   1.800     4.660   parsed_2m78   1   
         73   1   .   .   .   .   .   3.230   1.800     4.660   parsed_2m78   1   
         74   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         75   1   .   .   .   .   .   3.920   1.800     6.040   parsed_2m78   1   
         76   1   .   .   .   .   .   3.650   1.800     5.500   parsed_2m78   1   
         77   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         78   1   .   .   .   .   .   3.650   1.800     5.500   parsed_2m78   1   
         79   1   .   .   .   .   .   3.650   1.800     5.500   parsed_2m78   1   
         80   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         81   1   .   .   .   .   .   3.690   1.800     5.580   parsed_2m78   1   
         82   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         83   1   .   .   .   .   .   4.015   1.800     6.230   parsed_2m78   1   
         84   1   .   .   .   .   .   3.650   1.800     5.500   parsed_2m78   1   
         85   1   .   .   .   .   .   3.650   1.800     5.500   parsed_2m78   1   
         86   1   .   .   .   .   .   3.385   1.800     4.970   parsed_2m78   1   
         87   1   .   .   .   .   .   3.590   1.800     5.380   parsed_2m78   1   
         88   1   .   .   .   .   .   3.650   1.800     5.500   parsed_2m78   1   
         89   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         90   1   .   .   .   .   .   3.810   1.800     5.820   parsed_2m78   1   
         91   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         92   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         93   1   .   .   .   .   .   4.090   1.800     6.380   parsed_2m78   1   
         94   1   .   .   .   .   .   3.740   1.800     5.680   parsed_2m78   1   
         95   1   .   .   .   .   .   4.700   1.800     7.600   parsed_2m78   1   
         96   1   .   .   .   .   .   3.630   1.800     5.460   parsed_2m78   1   
         97   1   .   .   .   .   .   3.635   1.800     5.470   parsed_2m78   1   
         98   1   .   .   .   .   .   4.115   1.800     6.430   parsed_2m78   1   
         99   1   .   .   .   .   .   4.700   1.800     7.600   parsed_2m78   1   
        100   1   .   .   .   .   .   3.570   1.800     5.340   parsed_2m78   1   
        101   1   .   .   .   .   .   3.635   1.800     5.470   parsed_2m78   1   
        102   1   .   .   .   .   .   3.620   1.800     5.440   parsed_2m78   1   
        103   1   .   .   .   .   .   3.880   1.800     5.960   parsed_2m78   1   
        104   1   .   .   .   .   .   2.705   1.800     3.610   parsed_2m78   1   
        105   1   .   .   .   .   .   2.180   1.800     2.560   parsed_2m78   1   
        106   1   .   .   .   .   .   3.265   1.800     4.730   parsed_2m78   1   
        107   1   .   .   .   .   .   2.675   1.800     3.550   parsed_2m78   1   
        108   1   .   .   .   .   .   2.300   2.050   102.300   parsed_2m78   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   "H proton - H proton"    1   1   1   22   parsed_2m78   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2m78 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -177.9   -83.7   .   .    1   .   C   .    2   .   N    .    2   .   CA   .    2   .   C    parsed_2m78   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.8   182.8   .   .    2   .   N   .    2   .   CA   .    2   .   C    .    3   .   N    parsed_2m78   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -177.3   -84.3   .   .    2   .   C   .    3   .   N    .    3   .   CA   .    3   .   C    parsed_2m78   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.1   168.5   .   .    3   .   N   .    3   .   CA   .    3   .   C    .    4   .   N    parsed_2m78   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    3   .   N   .    3   .   CA   .    3   .   CB   .    3   .   SG   parsed_2m78   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -172.8   -87.6   .   .    3   .   C   .    4   .   N    .    4   .   CA   .    4   .   C    parsed_2m78   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.7   167.1   .   .    4   .   N   .    4   .   CA   .    4   .   C    .    5   .   N    parsed_2m78   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.1   -89.7   .   .    4   .   C   .    5   .   N    .    5   .   CA   .    5   .   C    parsed_2m78   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.4   160.4   .   .    5   .   N   .    5   .   CA   .    5   .   C    .    6   .   N    parsed_2m78   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    5   .   N   .    5   .   CA   .    5   .   CB   .    5   .   SG   parsed_2m78   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159.6   -97.8   .   .    5   .   C   .    6   .   N    .    6   .   CA   .    6   .   C    parsed_2m78   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     96.0   162.2   .   .    6   .   N   .    6   .   CA   .    6   .   C    .    7   .   N    parsed_2m78   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.9   -82.9   .   .    6   .   C   .    7   .   N    .    7   .   CA   .    7   .   C    parsed_2m78   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.9   166.1   .   .    7   .   N   .    7   .   CA   .    7   .   C    .    8   .   N    parsed_2m78   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    7   .   N   .    7   .   CA   .    7   .   CB   .    7   .   SG   parsed_2m78   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.8   -34.8   .   .    7   .   C   .    8   .   N    .    8   .   CA   .    8   .   C    parsed_2m78   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.5   184.9   .   .    8   .   N   .    8   .   CA   .    8   .   C    .    9   .   N    parsed_2m78   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .    9   .   N   .    9   .   CA   .    9   .   CB   .    9   .   CG   parsed_2m78   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     10.0    90.0   .   .    8   .   C   .    9   .   N    .    9   .   CA   .    9   .   C    parsed_2m78   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     56.5   111.7   .   .    9   .   C   .   10   .   N    .   10   .   CA   .   10   .   C    parsed_2m78   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -34.5    27.3   .   .   10   .   N   .   10   .   CA   .   10   .   C    .   11   .   N    parsed_2m78   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.3   -61.3   .   .   10   .   C   .   11   .   N    .   11   .   CA   .   11   .   C    parsed_2m78   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     75.9   212.7   .   .   11   .   N   .   11   .   CA   .   11   .   C    .   12   .   N    parsed_2m78   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -185.5   -85.3   .   .   11   .   C   .   12   .   N    .   12   .   CA   .   12   .   C    parsed_2m78   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.0   186.6   .   .   12   .   N   .   12   .   CA   .   12   .   C    .   13   .   N    parsed_2m78   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   12   .   N   .   12   .   CA   .   12   .   CB   .   12   .   SG   parsed_2m78   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -172.8   -87.6   .   .   12   .   C   .   13   .   N    .   13   .   CA   .   13   .   C    parsed_2m78   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.7   167.1   .   .   13   .   N   .   13   .   CA   .   13   .   C    .   14   .   N    parsed_2m78   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -174.0   -95.4   .   .   13   .   C   .   14   .   N    .   14   .   CA   .   14   .   C    parsed_2m78   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.2   170.4   .   .   14   .   N   .   14   .   CA   .   14   .   C    .   15   .   N    parsed_2m78   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   14   .   N   .   14   .   CA   .   14   .   CB   .   14   .   SG   parsed_2m78   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.6   -99.0   .   .   14   .   C   .   15   .   N    .   15   .   CA   .   15   .   C    parsed_2m78   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102.3   153.1   .   .   15   .   N   .   15   .   CA   .   15   .   C    .   16   .   N    parsed_2m78   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.5   -97.7   .   .   15   .   C   .   16   .   N    .   16   .   CA   .   16   .   C    parsed_2m78   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.7   159.3   .   .   16   .   N   .   16   .   CA   .   16   .   C    .   17   .   N    parsed_2m78   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   16   .   N   .   16   .   CA   .   16   .   CB   .   16   .   SG   parsed_2m78   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -168.0   -74.8   .   .   16   .   C   .   17   .   N    .   17   .   CA   .   17   .   C    parsed_2m78   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.6   157.2   .   .   17   .   N   .   17   .   CA   .   17   .   C    .   18   .   N    parsed_2m78   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   18   .   N   .   18   .   CA   .   18   .   CB   .   18   .   CG   parsed_2m78   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     10.0    90.0   .   .   17   .   C   .   18   .   N    .   18   .   CA   .   18   .   C    parsed_2m78   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

        1   "Dihedral angles"    1   1   1   17   parsed_2m78   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2m78 
    _Distance_constraint_list.ID                  2 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _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_2m78   2   
         2   1   .   .   .   parsed_2m78   2   
         3   1   .   .   .   parsed_2m78   2   
         4   1   .   .   .   parsed_2m78   2   
         5   1   .   .   .   parsed_2m78   2   
         6   1   .   .   .   parsed_2m78   2   
         7   1   .   .   .   parsed_2m78   2   
         8   1   .   .   .   parsed_2m78   2   
         9   1   .   .   .   parsed_2m78   2   
        10   1   .   .   .   parsed_2m78   2   
        11   1   .   .   .   parsed_2m78   2   
        12   1   .   .   .   parsed_2m78   2   
        13   1   .   .   .   parsed_2m78   2   
        14   1   .   .   .   parsed_2m78   2   
        15   1   .   .   .   parsed_2m78   2   
        16   1   .   .   .   parsed_2m78   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   .   .   .   .   .   .   .   .   .    2   .   HN   parsed_2m78   2   
         1   1   2   .   .   .   .   .   .   .   .   .   17   .   O    parsed_2m78   2   
         2   1   1   .   .   .   .   .   .   .   .   .    2   .   N    parsed_2m78   2   
         2   1   2   .   .   .   .   .   .   .   .   .   17   .   O    parsed_2m78   2   
         3   1   1   .   .   .   .   .   .   .   .   .    2   .   O    parsed_2m78   2   
         3   1   2   .   .   .   .   .   .   .   .   .   17   .   HN   parsed_2m78   2   
         4   1   1   .   .   .   .   .   .   .   .   .    2   .   O    parsed_2m78   2   
         4   1   2   .   .   .   .   .   .   .   .   .   17   .   N    parsed_2m78   2   
         5   1   1   .   .   .   .   .   .   .   .   .    4   .   HN   parsed_2m78   2   
         5   1   2   .   .   .   .   .   .   .   .   .   15   .   O    parsed_2m78   2   
         6   1   1   .   .   .   .   .   .   .   .   .    4   .   N    parsed_2m78   2   
         6   1   2   .   .   .   .   .   .   .   .   .   15   .   O    parsed_2m78   2   
         7   1   1   .   .   .   .   .   .   .   .   .    4   .   O    parsed_2m78   2   
         7   1   2   .   .   .   .   .   .   .   .   .   15   .   HN   parsed_2m78   2   
         8   1   1   .   .   .   .   .   .   .   .   .    4   .   O    parsed_2m78   2   
         8   1   2   .   .   .   .   .   .   .   .   .   15   .   N    parsed_2m78   2   
         9   1   1   .   .   .   .   .   .   .   .   .    6   .   HN   parsed_2m78   2   
         9   1   2   .   .   .   .   .   .   .   .   .   13   .   O    parsed_2m78   2   
        10   1   1   .   .   .   .   .   .   .   .   .    6   .   N    parsed_2m78   2   
        10   1   2   .   .   .   .   .   .   .   .   .   13   .   O    parsed_2m78   2   
        11   1   1   .   .   .   .   .   .   .   .   .    6   .   O    parsed_2m78   2   
        11   1   2   .   .   .   .   .   .   .   .   .   13   .   HN   parsed_2m78   2   
        12   1   1   .   .   .   .   .   .   .   .   .    6   .   O    parsed_2m78   2   
        12   1   2   .   .   .   .   .   .   .   .   .   13   .   N    parsed_2m78   2   
        13   1   1   .   .   .   .   .   .   .   .   .    8   .   HN   parsed_2m78   2   
        13   1   2   .   .   .   .   .   .   .   .   .   11   .   O    parsed_2m78   2   
        14   1   1   .   .   .   .   .   .   .   .   .    8   .   N    parsed_2m78   2   
        14   1   2   .   .   .   .   .   .   .   .   .   11   .   O    parsed_2m78   2   
        15   1   1   .   .   .   .   .   .   .   .   .    8   .   O    parsed_2m78   2   
        15   1   2   .   .   .   .   .   .   .   .   .   11   .   HN   parsed_2m78   2   
        16   1   1   .   .   .   .   .   .   .   .   .    8   .   O    parsed_2m78   2   
        16   1   2   .   .   .   .   .   .   .   .   .   11   .   N    parsed_2m78   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   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
         2   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
         3   1   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
         4   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
         5   1   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
         6   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
         7   1   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
         8   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
         9   1   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
        10   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
        11   1   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
        12   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
        13   1   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
        14   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
        15   1   .   .   .   .   .   1.900   1.800   2.000   parsed_2m78   2   
        16   1   .   .   .   .   .   2.400   1.800   3.000   parsed_2m78   2   
    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   Hbonds   1   1   1   8   parsed_2m78   2   
    stop_

save_





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