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
598072 2mx6 25394 cing 2-parsed STAR entry full 49


data_2mx6_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mx6 
    _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_2mx6   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mx6 
    _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   2mx6   "Master copy"    parsed_2mx6   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mx6 
    _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   2mx6.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2mx6   1   
        1   2mx6.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             44   parsed_2mx6   1   
        1   2mx6.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              5   parsed_2mx6   1   
        1   2mx6.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2mx6   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_2mx6 
    _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    PEPTIDE BINDING PROTEIN                 15-DEC-14   2MX6              
*TITLE     COMPLEX STRUCTURE OF DVL PDZ DOMAIN WITH LIGAND                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SEGMENT POLARITY PROTEIN DISHEVELLED HOMOLOG DVL-1;        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 248-337;                                      
*COMPND   5 SYNONYM: DISHEVELLED-1, DSH HOMOLOG 1;                               
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: (PHQ)WV PEPTIDE;                                           
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: DVL1, DVL;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET28A;                                   
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE  13 ORGANISM_TAXID: 32630                                                
*KEYWDS    PDZ, DVL, PEPTIDE BINDING PROTEIN                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.ZHANG, J.J.ZHENG                                                    
*REVDAT   1   30-DEC-15 2MX6    0                                                


;

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mx6 
    _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_2mx6   1   
         2   1   .   .   .   parsed_2mx6   1   
         3   1   .   .   .   parsed_2mx6   1   
         4   1   .   .   .   parsed_2mx6   1   
         5   1   .   .   .   parsed_2mx6   1   
         6   1   .   .   .   parsed_2mx6   1   
         7   1   .   .   .   parsed_2mx6   1   
         8   1   .   .   .   parsed_2mx6   1   
         9   1   .   .   .   parsed_2mx6   1   
        10   1   .   .   .   parsed_2mx6   1   
        11   1   .   .   .   parsed_2mx6   1   
        12   1   .   .   .   parsed_2mx6   1   
        13   1   .   .   .   parsed_2mx6   1   
        14   1   .   .   .   parsed_2mx6   1   
        15   1   .   .   .   parsed_2mx6   1   
        16   1   .   .   .   parsed_2mx6   1   
        17   1   .   .   .   parsed_2mx6   1   
        18   1   .   .   .   parsed_2mx6   1   
        19   1   .   .   .   parsed_2mx6   1   
        20   1   .   .   .   parsed_2mx6   1   
        21   1   .   .   .   parsed_2mx6   1   
        22   1   .   .   .   parsed_2mx6   1   
        23   1   .   .   .   parsed_2mx6   1   
        24   1   .   .   .   parsed_2mx6   1   
        25   1   .   .   .   parsed_2mx6   1   
        26   1   .   .   .   parsed_2mx6   1   
        27   1   .   .   .   parsed_2mx6   1   
        28   1   .   .   .   parsed_2mx6   1   
        29   1   .   .   .   parsed_2mx6   1   
        30   1   .   .   .   parsed_2mx6   1   
        31   1   .   .   .   parsed_2mx6   1   
        32   1   .   .   .   parsed_2mx6   1   
        33   1   .   .   .   parsed_2mx6   1   
        34   1   .   .   .   parsed_2mx6   1   
        35   1   .   .   .   parsed_2mx6   1   
        36   1   .   .   .   parsed_2mx6   1   
        37   1   .   .   .   parsed_2mx6   1   
        38   1   .   .   .   parsed_2mx6   1   
        39   1   .   .   .   parsed_2mx6   1   
        40   1   .   .   .   parsed_2mx6   1   
        41   1   .   .   .   parsed_2mx6   1   
        42   1   .   .   .   parsed_2mx6   1   
        43   1   .   .   .   parsed_2mx6   1   
        44   1   .   .   .   parsed_2mx6   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   .   .   .   .   .   .   .   .   A   266   .    HD1#    parsed_2mx6   1   
         1   1   2   .   .   .   .   .   .   .   .   B     1   .   "#HB"    parsed_2mx6   1   
         2   1   1   .   .   .   .   .   .   .   .   A   278   .    HG2#    parsed_2mx6   1   
         2   1   2   .   .   .   .   .   .   .   .   B     1   .   "#HD"    parsed_2mx6   1   
         3   1   1   .   .   .   .   .   .   .   .   A   278   .    HG2#    parsed_2mx6   1   
         3   1   2   .   .   .   .   .   .   .   .   B     1   .   "#HE"    parsed_2mx6   1   
         4   1   1   .   .   .   .   .   .   .   .   A   318   .    HG1#    parsed_2mx6   1   
         4   1   2   .   .   .   .   .   .   .   .   B     1   .   "#HD"    parsed_2mx6   1   
         5   1   1   .   .   .   .   .   .   .   .   A   318   .    HG1#    parsed_2mx6   1   
         5   1   2   .   .   .   .   .   .   .   .   B     1   .   "#HE"    parsed_2mx6   1   
         6   1   1   .   .   .   .   .   .   .   .   A   318   .    HG2#    parsed_2mx6   1   
         6   1   2   .   .   .   .   .   .   .   .   B     1   .   "#HE"    parsed_2mx6   1   
         7   1   1   .   .   .   .   .   .   .   .   A   318   .    HG2#    parsed_2mx6   1   
         7   1   2   .   .   .   .   .   .   .   .   B     1   .   "#HE"    parsed_2mx6   1   
         8   1   1   .   .   .   .   .   .   .   .   A   284   .    HB1     parsed_2mx6   1   
         8   1   2   .   .   .   .   .   .   .   .   B     2   .    HE3     parsed_2mx6   1   
         9   1   1   .   .   .   .   .   .   .   .   A   284   .    HB2     parsed_2mx6   1   
         9   1   2   .   .   .   .   .   .   .   .   B     2   .    HE3     parsed_2mx6   1   
        10   1   1   .   .   .   .   .   .   .   .   A   284   .    HE1     parsed_2mx6   1   
        10   1   2   .   .   .   .   .   .   .   .   B     2   .    HE3     parsed_2mx6   1   
        11   1   1   .   .   .   .   .   .   .   .   A   284   .    HB1     parsed_2mx6   1   
        11   1   2   .   .   .   .   .   .   .   .   B     2   .    HH2     parsed_2mx6   1   
        12   1   1   .   .   .   .   .   .   .   .   A   284   .    HB2     parsed_2mx6   1   
        12   1   2   .   .   .   .   .   .   .   .   B     2   .    HH2     parsed_2mx6   1   
        13   1   1   .   .   .   .   .   .   .   .   A   284   .    HE1     parsed_2mx6   1   
        13   1   2   .   .   .   .   .   .   .   .   B     2   .    HH2     parsed_2mx6   1   
        14   1   1   .   .   .   .   .   .   .   .   A   284   .    HB1     parsed_2mx6   1   
        14   1   2   .   .   .   .   .   .   .   .   B     2   .    HZ3     parsed_2mx6   1   
        15   1   1   .   .   .   .   .   .   .   .   A   284   .    HB2     parsed_2mx6   1   
        15   1   2   .   .   .   .   .   .   .   .   B     2   .    HZ3     parsed_2mx6   1   
        16   1   1   .   .   .   .   .   .   .   .   A   284   .    HE1     parsed_2mx6   1   
        16   1   2   .   .   .   .   .   .   .   .   B     2   .    HZ3     parsed_2mx6   1   
        17   1   1   .   .   .   .   .   .   .   .   A   318   .    HG1#    parsed_2mx6   1   
        17   1   2   .   .   .   .   .   .   .   .   B     2   .    HB1     parsed_2mx6   1   
        18   1   1   .   .   .   .   .   .   .   .   A   318   .    HG1#    parsed_2mx6   1   
        18   1   2   .   .   .   .   .   .   .   .   B     2   .    HB2     parsed_2mx6   1   
        19   1   1   .   .   .   .   .   .   .   .   A   318   .    HB      parsed_2mx6   1   
        19   1   2   .   .   .   .   .   .   .   .   B     2   .    HN      parsed_2mx6   1   
        20   1   1   .   .   .   .   .   .   .   .   A   262   .    HB2     parsed_2mx6   1   
        20   1   2   .   .   .   .   .   .   .   .   B     3   .    HB      parsed_2mx6   1   
        21   1   1   .   .   .   .   .   .   .   .   A   262   .    HB1     parsed_2mx6   1   
        21   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        22   1   1   .   .   .   .   .   .   .   .   A   262   .    HB2     parsed_2mx6   1   
        22   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        23   1   1   .   .   .   .   .   .   .   .   A   264   .    HD1#    parsed_2mx6   1   
        23   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        24   1   1   .   .   .   .   .   .   .   .   A   266   .    HD1#    parsed_2mx6   1   
        24   1   2   .   .   .   .   .   .   .   .   B     3   .    HB      parsed_2mx6   1   
        25   1   1   .   .   .   .   .   .   .   .   A   266   .    HD1#    parsed_2mx6   1   
        25   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        26   1   1   .   .   .   .   .   .   .   .   A   266   .    HG11    parsed_2mx6   1   
        26   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        27   1   1   .   .   .   .   .   .   .   .   A   266   .    HG12    parsed_2mx6   1   
        27   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        28   1   1   .   .   .   .   .   .   .   .   A   266   .    HG2#    parsed_2mx6   1   
        28   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        29   1   1   .   .   .   .   .   .   .   .   A   266   .    HD1#    parsed_2mx6   1   
        29   1   2   .   .   .   .   .   .   .   .   B     3   .    HN      parsed_2mx6   1   
        30   1   1   .   .   .   .   .   .   .   .   A   266   .    HG12    parsed_2mx6   1   
        30   1   2   .   .   .   .   .   .   .   .   B     3   .    HN      parsed_2mx6   1   
        31   1   1   .   .   .   .   .   .   .   .   A   318   .    HG1#    parsed_2mx6   1   
        31   1   2   .   .   .   .   .   .   .   .   B     3   .    HB      parsed_2mx6   1   
        32   1   1   .   .   .   .   .   .   .   .   A   318   .    HB      parsed_2mx6   1   
        32   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        33   1   1   .   .   .   .   .   .   .   .   A   318   .    HG1#    parsed_2mx6   1   
        33   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        34   1   1   .   .   .   .   .   .   .   .   A   318   .    HG2#    parsed_2mx6   1   
        34   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        35   1   1   .   .   .   .   .   .   .   .   A   321   .    HG      parsed_2mx6   1   
        35   1   2   .   .   .   .   .   .   .   .   B     3   .    HG1#    parsed_2mx6   1   
        36   1   1   .   .   .   .   .   .   .   .   A   321   .    HB1     parsed_2mx6   1   
        36   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        37   1   1   .   .   .   .   .   .   .   .   A   321   .    HB2     parsed_2mx6   1   
        37   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        38   1   1   .   .   .   .   .   .   .   .   A   322   .    HB2     parsed_2mx6   1   
        38   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        39   1   1   .   .   .   .   .   .   .   .   A   322   .    HD1     parsed_2mx6   1   
        39   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        40   1   1   .   .   .   .   .   .   .   .   A   322   .    HD2     parsed_2mx6   1   
        40   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        41   1   1   .   .   .   .   .   .   .   .   A   322   .    HG1     parsed_2mx6   1   
        41   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        42   1   1   .   .   .   .   .   .   .   .   A   322   .    HG2     parsed_2mx6   1   
        42   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        43   1   1   .   .   .   .   .   .   .   .   A   325   .    HB      parsed_2mx6   1   
        43   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
        44   1   1   .   .   .   .   .   .   .   .   A   325   .    HG2#    parsed_2mx6   1   
        44   1   2   .   .   .   .   .   .   .   .   B     3   .    HG2#    parsed_2mx6   1   
    stop_


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

         1   1   .   .   .   .   .   4.000   1.800   4.000   parsed_2mx6   1   
         2   1   .   .   .   .   .   5.500   1.800   5.500   parsed_2mx6   1   
         3   1   .   .   .   .   .   5.500   1.800   5.500   parsed_2mx6   1   
         4   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
         5   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
         6   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
         7   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
         8   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
         9   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        10   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        11   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        12   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        13   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        14   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        15   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        16   1   .   .   .   .   .   3.600   1.800   3.600   parsed_2mx6   1   
        17   1   .   .   .   .   .   6.500   1.800   6.500   parsed_2mx6   1   
        18   1   .   .   .   .   .   6.500   1.800   6.500   parsed_2mx6   1   
        19   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        20   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        21   1   .   .   .   .   .   3.500   1.800   3.500   parsed_2mx6   1   
        22   1   .   .   .   .   .   3.500   1.800   3.500   parsed_2mx6   1   
        23   1   .   .   .   .   .   3.600   1.800   3.600   parsed_2mx6   1   
        24   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        25   1   .   .   .   .   .   2.800   1.800   2.800   parsed_2mx6   1   
        26   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        27   1   .   .   .   .   .   2.800   1.800   2.800   parsed_2mx6   1   
        28   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        29   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        30   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        31   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        32   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        33   1   .   .   .   .   .   3.600   1.800   3.600   parsed_2mx6   1   
        34   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        35   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        36   1   .   .   .   .   .   3.600   1.800   3.600   parsed_2mx6   1   
        37   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        38   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        39   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        40   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        41   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   1   
        42   1   .   .   .   .   .   2.800   1.800   2.800   parsed_2mx6   1   
        43   1   .   .   .   .   .   3.600   1.800   3.600   parsed_2mx6   1   
        44   1   .   .   .   .   .   6.000   1.800   6.000   parsed_2mx6   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   zwv_hfnoe.48    1   97    1   111   parsed_2mx6   1   
         2   zwv_hfnoe.64    2   97    2   111   parsed_2mx6   1   
         3   zwv_hfnoe.65    3   97    3   111   parsed_2mx6   1   
         4   zwv_hfnoe.22    4   97    4   111   parsed_2mx6   1   
         5   zwv_hfnoe.41    5   97    5   111   parsed_2mx6   1   
         6   zwv_hfnoe.88    6   97    6   111   parsed_2mx6   1   
         7   zwv_hfnoe.89    7   97    7   111   parsed_2mx6   1   
         8   zwv_hfnoe.82    8   96    8   110   parsed_2mx6   1   
         9   zwv_hfnoe.81    9   96    9   110   parsed_2mx6   1   
        10   zwv_hfnoe.23   10   96   10   110   parsed_2mx6   1   
        11   zwv_hfnoe.68   11   96   11   110   parsed_2mx6   1   
        12   zwv_hfnoe.80   12   96   12   110   parsed_2mx6   1   
        13   zwv_hfnoe.83   13   96   13   110   parsed_2mx6   1   
        14   zwv_hfnoe.69   14   96   14   110   parsed_2mx6   1   
        15   zwv_hfnoe.59   15   96   15   110   parsed_2mx6   1   
        16   zwv_hfnoe.26   16   96   16   110   parsed_2mx6   1   
        17   zwv_hfnoe.42   17   97   17   111   parsed_2mx6   1   
        18   zwv_hfnoe.86   18   97   18   111   parsed_2mx6   1   
        19   zwv_hfnoe.21   19   94   19   108   parsed_2mx6   1   
        20   zwv_hfnoe.91   20   95   20   109   parsed_2mx6   1   
        21   zwv_hfnoe.0    21   97   21   110   parsed_2mx6   1   
        22   zwv_hfnoe.1    22   97   22   110   parsed_2mx6   1   
        23   zwv_hfnoe.78   23   98   23   112   parsed_2mx6   1   
        24   zwv_hfnoe.47   24   96   24   110   parsed_2mx6   1   
        25   zwv_hfnoe.29   25   98   25   112   parsed_2mx6   1   
        26   zwv_hfnoe.66   26   98   26   112   parsed_2mx6   1   
        27   zwv_hfnoe.12   27   98   27   112   parsed_2mx6   1   
        28   zwv_hfnoe.79   28   98   28   112   parsed_2mx6   1   
        29   zwv_hfnoe.50   29   96   29   110   parsed_2mx6   1   
        30   zwv_hfnoe.72   30   96   30   110   parsed_2mx6   1   
        31   zwv_hfnoe.43   31   96   31   110   parsed_2mx6   1   
        32   zwv_hfnoe.37   32   96   32   110   parsed_2mx6   1   
        33   zwv_hfnoe.15   33   98   33   112   parsed_2mx6   1   
        34   zwv_hfnoe.13   34   98   34   112   parsed_2mx6   1   
        35   zwv_hfnoe.84   35   96   35   110   parsed_2mx6   1   
        36   zwv_hfnoe.3    36   97   36   110   parsed_2mx6   1   
        37   zwv_hfnoe.2    37   97   37   110   parsed_2mx6   1   
        38   zwv_hfnoe.5    38   97   38   110   parsed_2mx6   1   
        39   zwv_hfnoe.74   39   97   39   111   parsed_2mx6   1   
        40   zwv_hfnoe.73   40   97   40   111   parsed_2mx6   1   
        41   zwv_hfnoe.57   41   97   41   111   parsed_2mx6   1   
        42   zwv_hfnoe.9    42   97   42   110   parsed_2mx6   1   
        43   zwv_hfnoe.4    43   96   43   109   parsed_2mx6   1   
        44   zwv_hfnoe.56   44   98   44   112   parsed_2mx6   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mx6 
    _Distance_constraint_list.ID                  2 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

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

        1   1   .   .   .   parsed_2mx6   2   
        2   1   .   .   .   parsed_2mx6   2   
        3   1   .   .   .   parsed_2mx6   2   
        4   1   .   .   .   parsed_2mx6   2   
        5   1   .   .   .   parsed_2mx6   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   .   .   .   .   .   .   .   .   A   262   .   HN    parsed_2mx6   2   
        1   1   2   .   .   .   .   .   .   .   .   B     3   .   O     parsed_2mx6   2   
        2   1   1   .   .   .   .   .   .   .   .   A   263   .   HN    parsed_2mx6   2   
        2   1   2   .   .   .   .   .   .   .   .   B     3   .   OXT   parsed_2mx6   2   
        3   1   1   .   .   .   .   .   .   .   .   A   264   .   HN    parsed_2mx6   2   
        3   1   2   .   .   .   .   .   .   .   .   B     3   .   OXT   parsed_2mx6   2   
        4   1   1   .   .   .   .   .   .   .   .   A   264   .   O     parsed_2mx6   2   
        4   1   2   .   .   .   .   .   .   .   .   B     3   .   HN    parsed_2mx6   2   
        5   1   1   .   .   .   .   .   .   .   .   A   266   .   HN    parsed_2mx6   2   
        5   1   2   .   .   .   .   .   .   .   .   B     1   .   O     parsed_2mx6   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   .   .   .   .   .   2.0   1.8   2.2   parsed_2mx6   2   
        2   1   .   .   .   .   .   2.0   1.8   2.2   parsed_2mx6   2   
        3   1   .   .   .   .   .   2.0   1.8   2.2   parsed_2mx6   2   
        4   1   .   .   .   .   .   2.0   1.8   2.2   parsed_2mx6   2   
        5   1   .   .   .   .   .   2.0   1.8   2.2   parsed_2mx6   2   
    stop_

save_





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