NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype item_count
633919 5yzk cing 2-parsed STAR entry full 112


data_5yzk_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5yzk 
    _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_5yzk   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5yzk 
    _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   5yzk   "Master copy"    parsed_5yzk   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5yzk 
    _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   5yzk.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_5yzk   1   
        1   5yzk.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"      "Not applicable"    24   parsed_5yzk   1   
        1   5yzk.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple             10   parsed_5yzk   1   
        1   5yzk.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"        simple             34   parsed_5yzk   1   
        1   5yzk.mr   .   .    DYANA/DIANA   5    distance                 "general distance"     simple             10   parsed_5yzk   1   
        1   5yzk.mr   .   .    DYANA/DIANA   6    distance                 "hydrogen bond"        simple             34   parsed_5yzk   1   
        1   5yzk.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_5yzk   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_5yzk 
    _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    HYDROLASE                               15-DEC-17   5YZK              
*TITLE     SOLUTION STRUCTURE OF LYSM DOMAIN FROM A CHITINASE DERIVED FROM VOLVOX
*TITLE    2 CARTERI                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHITINASE, LYSOZYME;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: LYSM;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VOLVOX CARTERI F. NAGARIENSIS;                  
*SOURCE   3 ORGANISM_TAXID: 3068;                                                
*SOURCE   4 GENE: CHI4, VOLCADRAFT_127242;                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    LYSIN MOTIF, CHITIN-SPECIFIC, CBM50, SUGAR BINDING PROTEIN, HYDROLASE 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.KITAOKU,S.NISHIMURA,T.FUKAMIZO,T.OHNUMA                             
*REVDAT   1   19-DEC-18 5YZK    0                                                
;

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5yzk 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

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

         1   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164.197   -111.999   .   .    85   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    134.966    166.7     .   .    85   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.971   -123.583   .   .    86   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.253    168.599   .   .    86   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.264   -106.378   .   .    87   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.347    136.575   .   .    87   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127.481    -89.117   .   .    88   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.531    141.241   .   .    88   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.593    -91.037   .   .    89   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.633    137.309   .   .    89   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.471    -63.957   .   .   110   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -25.283     10.227   .   .   110   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.218    -85.72    .   .   121   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89.031    180.333   .   .   121   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.5      -97.776   .   .   122   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.277    153.457   .   .   122   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.198    -42.3     .   .   123   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.716    164.64    .   .   123   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.112    -95.142   .   .   125   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.038    128.176   .   .   125   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.575    -84.473   .   .   126   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.001    146.203   .   .   126   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.65    -123.534   .   .   127   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    138.619    175.885   .   .   127   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_5yzk   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   "Restraints file 1: talos.aco"      1   1    1   30   parsed_5yzk   1   
         2   "Talos contraints =10 only"         2   1    2   26   parsed_5yzk   1   
         3   "84	GLY	PHI	119.922		231.452"       3   1    3   47   parsed_5yzk   1   
         4   "84	GLY	PSI	-227.234		-126.72"      4   1    4   55   parsed_5yzk   1   
         5   "90	GLN	PHI	-135.658		-71.9"       15   1   15   53   parsed_5yzk   1   
         6   "90	GLN	PSI	87.913		153.325"       16   1   16   47   parsed_5yzk   1   
         7   "91	PRO	PSI	132.84		150.57"        17   1   17   46   parsed_5yzk   1   
         8   "92	GLY	PHI	-154.32		-94.19"       18   1   18   46   parsed_5yzk   1   
         9   "92	GLY	PSI	129.168		173.764"      19   1   19   47   parsed_5yzk   1   
        10   "94	THR	PHI	-164.161		-129.317"    20   1   20   56   parsed_5yzk   1   
        11   "94	THR	PSI	144.095		177.669"      21   1   21   47   parsed_5yzk   1   
        12   "96	TRP	PHI	45.098		63.622"        22   1   22   46   parsed_5yzk   1   
        13   "96	TRP	PSI	32.666		49.798"        23   1   23   46   parsed_5yzk   1   
        14   "98	ILE	PHI	-103.913		-82.899"     24   1   24   55   parsed_5yzk   1   
        15   "98	ILE	PSI	0.581		23.817"         25   1   25   46   parsed_5yzk   1   
        16   "99	ALA	PHI	51.516		66.956"        26   1   26   46   parsed_5yzk   1   
        17   "99	ALA	PSI	22.789		36.651"        27   1   27   46   parsed_5yzk   1   
        18   "100	GLN	PHI	37.397		92.017"       28   1   28   46   parsed_5yzk   1   
        19   "100	GLN	PSI	-2.362		57.662"       29   1   29   46   parsed_5yzk   1   
        20   "102	ARG	PHI	-108.709		-91.799"    30   1   30   55   parsed_5yzk   1   
        21   "102	ARG	PSI	0.45		24.854"         31   1   31   46   parsed_5yzk   1   
        22   "104	THR	PHI	-164.241		-72.555"    32   1   32   55   parsed_5yzk   1   
        23   "104	THR	PSI	88.976		174.02"       33   1   33   46   parsed_5yzk   1   
        24   "106	VAL	PHI	-84.556		-54.488"     34   1   34   47   parsed_5yzk   1   
        25   "106	VAL	PSI	-43.852		3.42"        35   1   35   44   parsed_5yzk   1   
        26   "107	ASP	PHI	53.667		107.521"      36   1   36   47   parsed_5yzk   1   
        27   "107	ASP	PSI	-1.907		37.529"       37   1   37   46   parsed_5yzk   1   
        28   "108	VAL	PHI	-72.499		-55.973"     38   1   38   47   parsed_5yzk   1   
        29   "108	VAL	PSI	-40.535		-8.923"      39   1   39   46   parsed_5yzk   1   
        30   "109	ILE	PHI	-71.604		-58.572"     40   1   40   47   parsed_5yzk   1   
        31   "109	ILE	PSI	-45.358		-19.252"     41   1   41   47   parsed_5yzk   1   
        32   "111	SER	PHI	46.551		80.609"       44   1   44   46   parsed_5yzk   1   
        33   "111	SER	PSI	27.1		52.554"         45   1   45   46   parsed_5yzk   1   
        34   "113	ASN	PHI	-142.173		-80.191"    46   1   46   55   parsed_5yzk   1   
        35   "113	ASN	PSI	76.467		151.815"      47   1   47   47   parsed_5yzk   1   
        36   "116	VAL	PHI	-124.59		-85.836"     48   1   48   47   parsed_5yzk   1   
        37   "116	VAL	PSI	112.601		133.199"     49   1   49   47   parsed_5yzk   1   
        38   "117	ASN	PHI	-117.11		-64.268"     50   1   50   47   parsed_5yzk   1   
        39   "117	ASN	PSI	98.403		155.333"      51   1   51   47   parsed_5yzk   1   
        40   "118	PRO	PSI	-31.465		0.093"       52   1   52   45   parsed_5yzk   1   
        41   "120	ARG	PHI	-142.444		-78.846"    53   1   53   55   parsed_5yzk   1   
        42   "120	ARG	PSI	72.342		186.498"      54   1   54   47   parsed_5yzk   1   
        43   "124	GLY	PHI	-143.788		-72.69"     61   1   61   54   parsed_5yzk   1   
        44   "124	GLY	PSI	95.144		188.01"       62   1   62   46   parsed_5yzk   1   
        45   "129	VAL	PHI	-148.452		-98.754"    69   1   69   55   parsed_5yzk   1   
        46   "129	VAL	PSI	75.659		166.945"      70   1   70   47   parsed_5yzk   1   
        47   "130	PRO	PSI	135.81		156.274"      71   1   71   47   parsed_5yzk   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5yzk 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _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_5yzk   1   
         2   1   .   .   .   parsed_5yzk   1   
         3   1   .   .   .   parsed_5yzk   1   
         4   1   .   .   .   parsed_5yzk   1   
         5   1   .   .   .   parsed_5yzk   1   
         6   1   .   .   .   parsed_5yzk   1   
         7   1   .   .   .   parsed_5yzk   1   
         8   1   .   .   .   parsed_5yzk   1   
         9   1   .   .   .   parsed_5yzk   1   
        10   1   .   .   .   parsed_5yzk   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   .   .   .   .   .   .   .   .   .    85   CYSS   SG    parsed_5yzk   1   
         1   1   2   .   .   .   .   .   .   .   .   .   131   CYSS   SG    parsed_5yzk   1   
         2   1   1   .   .   .   .   .   .   .   .   .    85   CYSS   CB    parsed_5yzk   1   
         2   1   2   .   .   .   .   .   .   .   .   .   131   CYSS   SG    parsed_5yzk   1   
         3   1   1   .   .   .   .   .   .   .   .   .    85   CYSS   SG    parsed_5yzk   1   
         3   1   2   .   .   .   .   .   .   .   .   .   131   CYSS   CB    parsed_5yzk   1   
         4   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   1   
         4   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   1   
         5   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   1   
         5   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CB    parsed_5yzk   1   
         6   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   1   
         6   1   2   .   .   .   .   .   .   .   .   .    91   PROO   HG2   parsed_5yzk   1   
         7   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   1   
         7   1   2   .   .   .   .   .   .   .   .   .    91   PROO   HG3   parsed_5yzk   1   
         8   1   1   .   .   .   .   .   .   .   .   .    91   PROO   N     parsed_5yzk   1   
         8   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   1   
         9   1   1   .   .   .   .   .   .   .   .   .    91   PROO   HD2   parsed_5yzk   1   
         9   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   1   
        10   1   1   .   .   .   .   .   .   .   .   .    91   PROO   HD3   parsed_5yzk   1   
        10   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   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   .   .   .   .   .   .   .   2.1    parsed_5yzk   1   
         2   1   .   .   .   .   .   .   .   3.1    parsed_5yzk   1   
         3   1   .   .   .   .   .   .   .   3.1    parsed_5yzk   1   
         4   1   .   .   .   .   .   .   .   1.51   parsed_5yzk   1   
         5   1   .   .   .   .   .   .   .   2.40   parsed_5yzk   1   
         6   1   .   .   .   .   .   .   .   2.13   parsed_5yzk   1   
         7   1   .   .   .   .   .   .   .   2.13   parsed_5yzk   1   
         8   1   .   .   .   .   .   .   .   2.34   parsed_5yzk   1   
         9   1   .   .   .   .   .   .   .   2.13   parsed_5yzk   1   
        10   1   .   .   .   .   .   .   .   2.13   parsed_5yzk   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   "Restraints file 2: hbond.upl"    1   1   1   30   parsed_5yzk   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5yzk 
    _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_5yzk   2   
         2   1   .   .   .   parsed_5yzk   2   
         3   1   .   .   .   parsed_5yzk   2   
         4   1   .   .   .   parsed_5yzk   2   
         5   1   .   .   .   parsed_5yzk   2   
         6   1   .   .   .   parsed_5yzk   2   
         7   1   .   .   .   parsed_5yzk   2   
         8   1   .   .   .   parsed_5yzk   2   
         9   1   .   .   .   parsed_5yzk   2   
        10   1   .   .   .   parsed_5yzk   2   
        11   1   .   .   .   parsed_5yzk   2   
        12   1   .   .   .   parsed_5yzk   2   
        13   1   .   .   .   parsed_5yzk   2   
        14   1   .   .   .   parsed_5yzk   2   
        15   1   .   .   .   parsed_5yzk   2   
        16   1   .   .   .   parsed_5yzk   2   
        17   1   .   .   .   parsed_5yzk   2   
        18   1   .   .   .   parsed_5yzk   2   
        19   1   .   .   .   parsed_5yzk   2   
        20   1   .   .   .   parsed_5yzk   2   
        21   1   .   .   .   parsed_5yzk   2   
        22   1   .   .   .   parsed_5yzk   2   
        23   1   .   .   .   parsed_5yzk   2   
        24   1   .   .   .   parsed_5yzk   2   
        25   1   .   .   .   parsed_5yzk   2   
        26   1   .   .   .   parsed_5yzk   2   
        27   1   .   .   .   parsed_5yzk   2   
        28   1   .   .   .   parsed_5yzk   2   
        29   1   .   .   .   parsed_5yzk   2   
        30   1   .   .   .   parsed_5yzk   2   
        31   1   .   .   .   parsed_5yzk   2   
        32   1   .   .   .   parsed_5yzk   2   
        33   1   .   .   .   parsed_5yzk   2   
        34   1   .   .   .   parsed_5yzk   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   .   .   .   .   .   .   .   .   .    85   CYSS   O     parsed_5yzk   2   
         1   1   2   .   .   .   .   .   .   .   .   .   129   VAL    H     parsed_5yzk   2   
         2   1   1   .   .   .   .   .   .   .   .   .    85   CYSS   O     parsed_5yzk   2   
         2   1   2   .   .   .   .   .   .   .   .   .   129   VAL    N     parsed_5yzk   2   
         3   1   1   .   .   .   .   .   .   .   .   .    87   TYR    O     parsed_5yzk   2   
         3   1   2   .   .   .   .   .   .   .   .   .   127   ILE    H     parsed_5yzk   2   
         4   1   1   .   .   .   .   .   .   .   .   .    87   TYR    O     parsed_5yzk   2   
         4   1   2   .   .   .   .   .   .   .   .   .   127   ILE    N     parsed_5yzk   2   
         5   1   1   .   .   .   .   .   .   .   .   .    89   ILE    O     parsed_5yzk   2   
         5   1   2   .   .   .   .   .   .   .   .   .   125   GLN    H     parsed_5yzk   2   
         6   1   1   .   .   .   .   .   .   .   .   .    89   ILE    O     parsed_5yzk   2   
         6   1   2   .   .   .   .   .   .   .   .   .   125   GLN    N     parsed_5yzk   2   
         7   1   1   .   .   .   .   .   .   .   .   .    94   THR    O     parsed_5yzk   2   
         7   1   2   .   .   .   .   .   .   .   .   .    98   ILE    H     parsed_5yzk   2   
         8   1   1   .   .   .   .   .   .   .   .   .    94   THR    O     parsed_5yzk   2   
         8   1   2   .   .   .   .   .   .   .   .   .    98   ILE    N     parsed_5yzk   2   
         9   1   1   .   .   .   .   .   .   .   .   .    95   PHE    O     parsed_5yzk   2   
         9   1   2   .   .   .   .   .   .   .   .   .    99   ALA    H     parsed_5yzk   2   
        10   1   1   .   .   .   .   .   .   .   .   .    95   PHE    O     parsed_5yzk   2   
        10   1   2   .   .   .   .   .   .   .   .   .    99   ALA    N     parsed_5yzk   2   
        11   1   1   .   .   .   .   .   .   .   .   .    96   TRP    O     parsed_5yzk   2   
        11   1   2   .   .   .   .   .   .   .   .   .   100   GLN    H     parsed_5yzk   2   
        12   1   1   .   .   .   .   .   .   .   .   .    96   TRP    O     parsed_5yzk   2   
        12   1   2   .   .   .   .   .   .   .   .   .   100   GLN    N     parsed_5yzk   2   
        13   1   1   .   .   .   .   .   .   .   .   .   105   THR    O     parsed_5yzk   2   
        13   1   2   .   .   .   .   .   .   .   .   .   109   ILE    H     parsed_5yzk   2   
        14   1   1   .   .   .   .   .   .   .   .   .   105   THR    O     parsed_5yzk   2   
        14   1   2   .   .   .   .   .   .   .   .   .   109   ILE    N     parsed_5yzk   2   
        15   1   1   .   .   .   .   .   .   .   .   .   106   VAL    O     parsed_5yzk   2   
        15   1   2   .   .   .   .   .   .   .   .   .   110   GLN    H     parsed_5yzk   2   
        16   1   1   .   .   .   .   .   .   .   .   .   106   VAL    O     parsed_5yzk   2   
        16   1   2   .   .   .   .   .   .   .   .   .   110   GLN    N     parsed_5yzk   2   
        17   1   1   .   .   .   .   .   .   .   .   .   108   VAL    O     parsed_5yzk   2   
        17   1   2   .   .   .   .   .   .   .   .   .   112   LEU    H     parsed_5yzk   2   
        18   1   1   .   .   .   .   .   .   .   .   .   108   VAL    O     parsed_5yzk   2   
        18   1   2   .   .   .   .   .   .   .   .   .   112   LEU    N     parsed_5yzk   2   
        19   1   1   .   .   .   .   .   .   .   .   .   109   ILE    O     parsed_5yzk   2   
        19   1   2   .   .   .   .   .   .   .   .   .   113   ASN    H     parsed_5yzk   2   
        20   1   1   .   .   .   .   .   .   .   .   .   109   ILE    O     parsed_5yzk   2   
        20   1   2   .   .   .   .   .   .   .   .   .   113   ASN    N     parsed_5yzk   2   
        21   1   1   .   .   .   .   .   .   .   .   .    89   ILE    H     parsed_5yzk   2   
        21   1   2   .   .   .   .   .   .   .   .   .   125   GLN    O     parsed_5yzk   2   
        22   1   1   .   .   .   .   .   .   .   .   .    89   ILE    N     parsed_5yzk   2   
        22   1   2   .   .   .   .   .   .   .   .   .   125   GLN    O     parsed_5yzk   2   
        23   1   1   .   .   .   .   .   .   .   .   .    87   TYR    H     parsed_5yzk   2   
        23   1   2   .   .   .   .   .   .   .   .   .   127   ILE    O     parsed_5yzk   2   
        24   1   1   .   .   .   .   .   .   .   .   .    87   TYR    N     parsed_5yzk   2   
        24   1   2   .   .   .   .   .   .   .   .   .   127   ILE    O     parsed_5yzk   2   
        25   1   1   .   .   .   .   .   .   .   .   .    90   GLN    O     parsed_5yzk   2   
        25   1   2   .   .   .   .   .   .   .   .   .    93   ASP    H     parsed_5yzk   2   
        26   1   1   .   .   .   .   .   .   .   .   .    90   GLN    O     parsed_5yzk   2   
        26   1   2   .   .   .   .   .   .   .   .   .    93   ASP    N     parsed_5yzk   2   
        27   1   1   .   .   .   .   .   .   .   .   .    93   ASP    OD1   parsed_5yzk   2   
        27   1   2   .   .   .   .   .   .   .   .   .    90   GLN    H     parsed_5yzk   2   
        28   1   1   .   .   .   .   .   .   .   .   .    93   ASP    OD1   parsed_5yzk   2   
        28   1   2   .   .   .   .   .   .   .   .   .    90   GLN    N     parsed_5yzk   2   
        29   1   1   .   .   .   .   .   .   .   .   .    99   ALA    O     parsed_5yzk   2   
        29   1   2   .   .   .   .   .   .   .   .   .   104   THR    H     parsed_5yzk   2   
        30   1   1   .   .   .   .   .   .   .   .   .    99   ALA    O     parsed_5yzk   2   
        30   1   2   .   .   .   .   .   .   .   .   .   104   THR    N     parsed_5yzk   2   
        31   1   1   .   .   .   .   .   .   .   .   .   113   ASN    OD1   parsed_5yzk   2   
        31   1   2   .   .   .   .   .   .   .   .   .   128   ASN    H     parsed_5yzk   2   
        32   1   1   .   .   .   .   .   .   .   .   .   113   ASN    OD1   parsed_5yzk   2   
        32   1   2   .   .   .   .   .   .   .   .   .   128   ASN    N     parsed_5yzk   2   
        33   1   1   .   .   .   .   .   .   .   .   .   109   ILE    O     parsed_5yzk   2   
        33   1   2   .   .   .   .   .   .   .   .   .   113   ASN    ND2   parsed_5yzk   2   
        34   1   1   .   .   .   .   .   .   .   .   .   128   ASN    O     parsed_5yzk   2   
        34   1   2   .   .   .   .   .   .   .   .   .   113   ASN    ND2   parsed_5yzk   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   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
         2   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
         3   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
         4   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
         5   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
         6   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
         7   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
         8   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
         9   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        10   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        11   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        12   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        13   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        14   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        15   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        16   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        17   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        18   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        19   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        20   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        21   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        22   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        23   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        24   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        25   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        26   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        27   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        28   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        29   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        30   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        31   1   .   .   .   .   .   .   .   2.00   parsed_5yzk   2   
        32   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        33   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   2   
        34   1   .   .   .   .   .   .   .   3.00   parsed_5yzk   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   "109 ILE  O   113 ASN  HD21      2.00"    36   1   36   38   parsed_5yzk   2   
        2   "128 ASN  O   113 ASN  HD22      2.00"    38   1   38   38   parsed_5yzk   2   
    stop_

save_


save_DYANA/DIANA_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5yzk 
    _Distance_constraint_list.ID                  3 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _Distance_constraint_list.Details            "Generated by Wattos" 

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

         1   1   .   .   .   parsed_5yzk   3   
         2   1   .   .   .   parsed_5yzk   3   
         3   1   .   .   .   parsed_5yzk   3   
         4   1   .   .   .   parsed_5yzk   3   
         5   1   .   .   .   parsed_5yzk   3   
         6   1   .   .   .   parsed_5yzk   3   
         7   1   .   .   .   parsed_5yzk   3   
         8   1   .   .   .   parsed_5yzk   3   
         9   1   .   .   .   parsed_5yzk   3   
        10   1   .   .   .   parsed_5yzk   3   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .    85   CYSS   SG    parsed_5yzk   3   
         1   1   2   .   .   .   .   .   .   .   .   .   131   CYSS   SG    parsed_5yzk   3   
         2   1   1   .   .   .   .   .   .   .   .   .    85   CYSS   CB    parsed_5yzk   3   
         2   1   2   .   .   .   .   .   .   .   .   .   131   CYSS   SG    parsed_5yzk   3   
         3   1   1   .   .   .   .   .   .   .   .   .    85   CYSS   SG    parsed_5yzk   3   
         3   1   2   .   .   .   .   .   .   .   .   .   131   CYSS   CB    parsed_5yzk   3   
         4   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   3   
         4   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   3   
         5   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   3   
         5   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CB    parsed_5yzk   3   
         6   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   3   
         6   1   2   .   .   .   .   .   .   .   .   .    91   PROO   HG2   parsed_5yzk   3   
         7   1   1   .   .   .   .   .   .   .   .   .    91   PROO   CD    parsed_5yzk   3   
         7   1   2   .   .   .   .   .   .   .   .   .    91   PROO   HG3   parsed_5yzk   3   
         8   1   1   .   .   .   .   .   .   .   .   .    91   PROO   N     parsed_5yzk   3   
         8   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   3   
         9   1   1   .   .   .   .   .   .   .   .   .    91   PROO   HD2   parsed_5yzk   3   
         9   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   3   
        10   1   1   .   .   .   .   .   .   .   .   .    91   PROO   HD3   parsed_5yzk   3   
        10   1   2   .   .   .   .   .   .   .   .   .    91   PROO   CG    parsed_5yzk   3   
    stop_


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

         1   1   .   .   .   .   .   .   .   2.0    parsed_5yzk   3   
         2   1   .   .   .   .   .   .   .   3.0    parsed_5yzk   3   
         3   1   .   .   .   .   .   .   .   3.0    parsed_5yzk   3   
         4   1   .   .   .   .   .   .   .   1.49   parsed_5yzk   3   
         5   1   .   .   .   .   .   .   .   2.39   parsed_5yzk   3   
         6   1   .   .   .   .   .   .   .   2.12   parsed_5yzk   3   
         7   1   .   .   .   .   .   .   .   2.12   parsed_5yzk   3   
         8   1   .   .   .   .   .   .   .   2.33   parsed_5yzk   3   
         9   1   .   .   .   .   .   .   .   2.12   parsed_5yzk   3   
        10   1   .   .   .   .   .   .   .   2.12   parsed_5yzk   3   
    stop_


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

        1   "Restraints file 3: hbond.lol"    1   1   1   30   parsed_5yzk   3   
    stop_

save_


save_DYANA/DIANA_distance_constraints_6
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5yzk 
    _Distance_constraint_list.ID                  4 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            6 
    _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_5yzk   4   
         2   1   .   .   .   parsed_5yzk   4   
         3   1   .   .   .   parsed_5yzk   4   
         4   1   .   .   .   parsed_5yzk   4   
         5   1   .   .   .   parsed_5yzk   4   
         6   1   .   .   .   parsed_5yzk   4   
         7   1   .   .   .   parsed_5yzk   4   
         8   1   .   .   .   parsed_5yzk   4   
         9   1   .   .   .   parsed_5yzk   4   
        10   1   .   .   .   parsed_5yzk   4   
        11   1   .   .   .   parsed_5yzk   4   
        12   1   .   .   .   parsed_5yzk   4   
        13   1   .   .   .   parsed_5yzk   4   
        14   1   .   .   .   parsed_5yzk   4   
        15   1   .   .   .   parsed_5yzk   4   
        16   1   .   .   .   parsed_5yzk   4   
        17   1   .   .   .   parsed_5yzk   4   
        18   1   .   .   .   parsed_5yzk   4   
        19   1   .   .   .   parsed_5yzk   4   
        20   1   .   .   .   parsed_5yzk   4   
        21   1   .   .   .   parsed_5yzk   4   
        22   1   .   .   .   parsed_5yzk   4   
        23   1   .   .   .   parsed_5yzk   4   
        24   1   .   .   .   parsed_5yzk   4   
        25   1   .   .   .   parsed_5yzk   4   
        26   1   .   .   .   parsed_5yzk   4   
        27   1   .   .   .   parsed_5yzk   4   
        28   1   .   .   .   parsed_5yzk   4   
        29   1   .   .   .   parsed_5yzk   4   
        30   1   .   .   .   parsed_5yzk   4   
        31   1   .   .   .   parsed_5yzk   4   
        32   1   .   .   .   parsed_5yzk   4   
        33   1   .   .   .   parsed_5yzk   4   
        34   1   .   .   .   parsed_5yzk   4   
    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   .   .   .   .   .   .   .   .   .    85   CYSS   O      parsed_5yzk   4   
         1   1   2   .   .   .   .   .   .   .   .   .   129   VAL    H      parsed_5yzk   4   
         2   1   1   .   .   .   .   .   .   .   .   .    85   CYSS   O      parsed_5yzk   4   
         2   1   2   .   .   .   .   .   .   .   .   .   129   VAL    N      parsed_5yzk   4   
         3   1   1   .   .   .   .   .   .   .   .   .    87   TYR    O      parsed_5yzk   4   
         3   1   2   .   .   .   .   .   .   .   .   .   127   ILE    H      parsed_5yzk   4   
         4   1   1   .   .   .   .   .   .   .   .   .    87   TYR    O      parsed_5yzk   4   
         4   1   2   .   .   .   .   .   .   .   .   .   127   ILE    N      parsed_5yzk   4   
         5   1   1   .   .   .   .   .   .   .   .   .    89   ILE    O      parsed_5yzk   4   
         5   1   2   .   .   .   .   .   .   .   .   .   125   GLN    H      parsed_5yzk   4   
         6   1   1   .   .   .   .   .   .   .   .   .    89   ILE    O      parsed_5yzk   4   
         6   1   2   .   .   .   .   .   .   .   .   .   125   GLN    N      parsed_5yzk   4   
         7   1   1   .   .   .   .   .   .   .   .   .    94   THR    O      parsed_5yzk   4   
         7   1   2   .   .   .   .   .   .   .   .   .    98   ILE    H      parsed_5yzk   4   
         8   1   1   .   .   .   .   .   .   .   .   .    94   THR    O      parsed_5yzk   4   
         8   1   2   .   .   .   .   .   .   .   .   .    98   ILE    N      parsed_5yzk   4   
         9   1   1   .   .   .   .   .   .   .   .   .    95   PHE    O      parsed_5yzk   4   
         9   1   2   .   .   .   .   .   .   .   .   .    99   ALA    H      parsed_5yzk   4   
        10   1   1   .   .   .   .   .   .   .   .   .    95   PHE    O      parsed_5yzk   4   
        10   1   2   .   .   .   .   .   .   .   .   .    99   ALA    N      parsed_5yzk   4   
        11   1   1   .   .   .   .   .   .   .   .   .    96   TRP    O      parsed_5yzk   4   
        11   1   2   .   .   .   .   .   .   .   .   .   100   GLN    H      parsed_5yzk   4   
        12   1   1   .   .   .   .   .   .   .   .   .    96   TRP    O      parsed_5yzk   4   
        12   1   2   .   .   .   .   .   .   .   .   .   100   GLN    N      parsed_5yzk   4   
        13   1   1   .   .   .   .   .   .   .   .   .   105   THR    O      parsed_5yzk   4   
        13   1   2   .   .   .   .   .   .   .   .   .   109   ILE    H      parsed_5yzk   4   
        14   1   1   .   .   .   .   .   .   .   .   .   105   THR    O      parsed_5yzk   4   
        14   1   2   .   .   .   .   .   .   .   .   .   109   ILE    N      parsed_5yzk   4   
        15   1   1   .   .   .   .   .   .   .   .   .   106   VAL    O      parsed_5yzk   4   
        15   1   2   .   .   .   .   .   .   .   .   .   110   GLN    H      parsed_5yzk   4   
        16   1   1   .   .   .   .   .   .   .   .   .   106   VAL    O      parsed_5yzk   4   
        16   1   2   .   .   .   .   .   .   .   .   .   110   GLN    N      parsed_5yzk   4   
        17   1   1   .   .   .   .   .   .   .   .   .   108   VAL    O      parsed_5yzk   4   
        17   1   2   .   .   .   .   .   .   .   .   .   112   LEU    H      parsed_5yzk   4   
        18   1   1   .   .   .   .   .   .   .   .   .   108   VAL    O      parsed_5yzk   4   
        18   1   2   .   .   .   .   .   .   .   .   .   112   LEU    N      parsed_5yzk   4   
        19   1   1   .   .   .   .   .   .   .   .   .   109   ILE    O      parsed_5yzk   4   
        19   1   2   .   .   .   .   .   .   .   .   .   113   ASN    H      parsed_5yzk   4   
        20   1   1   .   .   .   .   .   .   .   .   .   109   ILE    O      parsed_5yzk   4   
        20   1   2   .   .   .   .   .   .   .   .   .   113   ASN    N      parsed_5yzk   4   
        21   1   1   .   .   .   .   .   .   .   .   .    89   ILE    H      parsed_5yzk   4   
        21   1   2   .   .   .   .   .   .   .   .   .   125   GLN    O      parsed_5yzk   4   
        22   1   1   .   .   .   .   .   .   .   .   .    89   ILE    N      parsed_5yzk   4   
        22   1   2   .   .   .   .   .   .   .   .   .   125   GLN    O      parsed_5yzk   4   
        23   1   1   .   .   .   .   .   .   .   .   .    87   TYR    H      parsed_5yzk   4   
        23   1   2   .   .   .   .   .   .   .   .   .   127   ILE    O      parsed_5yzk   4   
        24   1   1   .   .   .   .   .   .   .   .   .    87   TYR    N      parsed_5yzk   4   
        24   1   2   .   .   .   .   .   .   .   .   .   127   ILE    O      parsed_5yzk   4   
        25   1   1   .   .   .   .   .   .   .   .   .    90   GLN    O      parsed_5yzk   4   
        25   1   2   .   .   .   .   .   .   .   .   .    93   ASP    H      parsed_5yzk   4   
        26   1   1   .   .   .   .   .   .   .   .   .    90   GLN    O      parsed_5yzk   4   
        26   1   2   .   .   .   .   .   .   .   .   .    93   ASP    N      parsed_5yzk   4   
        27   1   1   .   .   .   .   .   .   .   .   .    93   ASP    OD1    parsed_5yzk   4   
        27   1   2   .   .   .   .   .   .   .   .   .    90   GLN    H      parsed_5yzk   4   
        28   1   1   .   .   .   .   .   .   .   .   .    93   ASP    OD1    parsed_5yzk   4   
        28   1   2   .   .   .   .   .   .   .   .   .    90   GLN    N      parsed_5yzk   4   
        29   1   1   .   .   .   .   .   .   .   .   .    99   ALA    O      parsed_5yzk   4   
        29   1   2   .   .   .   .   .   .   .   .   .   104   THR    H      parsed_5yzk   4   
        30   1   1   .   .   .   .   .   .   .   .   .    99   ALA    O      parsed_5yzk   4   
        30   1   2   .   .   .   .   .   .   .   .   .   104   THR    N      parsed_5yzk   4   
        31   1   1   .   .   .   .   .   .   .   .   .   113   ASN    OD1    parsed_5yzk   4   
        31   1   2   .   .   .   .   .   .   .   .   .   128   ASN    H      parsed_5yzk   4   
        32   1   1   .   .   .   .   .   .   .   .   .   113   ASN    OD1    parsed_5yzk   4   
        32   1   2   .   .   .   .   .   .   .   .   .   128   ASN    N      parsed_5yzk   4   
        33   1   1   .   .   .   .   .   .   .   .   .   109   ILE    O      parsed_5yzk   4   
        33   1   2   .   .   .   .   .   .   .   .   .   113   ASN    ND2    parsed_5yzk   4   
        34   1   1   .   .   .   .   .   .   .   .   .   109   ILE    O      parsed_5yzk   4   
        34   1   2   .   .   .   .   .   .   .   .   .   113   ASN    HD21   parsed_5yzk   4   
    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   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
         2   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
         3   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
         4   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
         5   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
         6   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
         7   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
         8   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
         9   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        10   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        11   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        12   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        13   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        14   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        15   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        16   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        17   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        18   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        19   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        20   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        21   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        22   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        23   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        24   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        25   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        26   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        27   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        28   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        29   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        30   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        31   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
        32   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        33   1   .   .   .   .   .   .   .   2.70   parsed_5yzk   4   
        34   1   .   .   .   .   .   .   .   1.80   parsed_5yzk   4   
    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   "128 ASN  O   113 ASN  ND2       2.70"    37   1   37   40   parsed_5yzk   4   
        2   "128 ASN  O   113 ASN  HD22      1.80"    38   1   38   40   parsed_5yzk   4   
    stop_

save_





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