NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
650826 6kha cing 2-parsed STAR distance NOE simple


data_6kha_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6kha 
    _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_6kha   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6kha 
    _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   6kha   "Master copy"    parsed_6kha   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6kha 
    _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   6kha.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_6kha   1   
        1   6kha.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_6kha   1   
        1   6kha.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple             0   parsed_6kha   1   
        1   6kha.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_6kha   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6kha 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_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: 38hrs.upl"    1   1   1   30   parsed_6kha   1   
    stop_


    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

          1   "1	GLY	A	QA	19	TYR	A	H	2	4.8"          2   1     2   76   parsed_6kha   1   
          2   "2	ILE	A	H	3	VAL	A	H	2	3"              3   1     3   74   parsed_6kha   1   
          3   "2	ILE	A	HA	3	VAL	A	H	2	3"             4   1     4   74   parsed_6kha   1   
          4   "2	ILE	A	HB	2	ILE	A	H	2	3"             5   1     5   74   parsed_6kha   1   
          5   "2	ILE	A	HB	19	TYR	A	QE	2	4.5"         6   1     6   76   parsed_6kha   1   
          6   "2	ILE	A	MD	2	ILE	A	H	2	3"             7   1     7   74   parsed_6kha   1   
          7   "2	ILE	A	MD	19	TYR	A	QE	2	4.5"         8   1     8   76   parsed_6kha   1   
          8   "2	ILE	A	MD	19	TYR	A	QD	2	4.5"         9   1     9   76   parsed_6kha   1   
          9   "2	ILE	A	QG	2	ILE	A	H	2	3.5"          10   1    10   76   parsed_6kha   1   
         10   "2	ILE	A	QG	19	TYR	A	QE	2	4.5"        11   1    11   76   parsed_6kha   1   
         11   "2	ILE	A	QG	19	TYR	A	QD	2	4.5"        12   1    12   76   parsed_6kha   1   
         12   "2	ILE	A	QG	26	TYR	B	QE	2	5"          13   1    13   74   parsed_6kha   1   
         13   "2	ILE	A	QG	3	VAL	A	H	2	3.5"          14   1    14   76   parsed_6kha   1   
         14   "3	VAL	A	H	3	VAL	A	H	2	3"             15   1    15   74   parsed_6kha   1   
         15   "3	VAL	A	H	4	LEU	A	H	2	3"             16   1    16   74   parsed_6kha   1   
         16   "3	VAL	A	HA	3	VAL	A	H	2	3"            17   1    17   74   parsed_6kha   1   
         17   "3	VAL	A	HA	4	LEU	A	H	2	3"            18   1    18   74   parsed_6kha   1   
         18   "3	VAL	A	HB	3	VAL	A	H	2	3"            19   1    19   74   parsed_6kha   1   
         19   "3	VAL	A	HB	4	LEU	A	H	2	3"            20   1    20   74   parsed_6kha   1   
         20   "4	GLU	A	H	4	LEU	A	H	2	3"             21   1    21   74   parsed_6kha   1   
         21   "4	GLU	A	HA	4	LEU	A	H	2	3"            22   1    22   74   parsed_6kha   1   
         22   "4	GLU	A	HA	5	GLN	A	H	2	3.5"          23   1    23   76   parsed_6kha   1   
         23   "4	GLU	A	QB	4	GLU	A	H	2	3.5"          24   1    24   76   parsed_6kha   1   
         24   "4	GLU	A	QB	5	GLN	A	H	2	3.5"          25   1    25   76   parsed_6kha   1   
         25   "4	GLU	A	QG	3	ASN	A	H	2	4"            26   1    26   74   parsed_6kha   1   
         26   "4	GLU	A	QG	4	GLU	A	H	2	3.5"          27   1    27   76   parsed_6kha   1   
         27   "4	GLU	A	QG	5	GLN	A	H	2	3.5"          28   1    28   76   parsed_6kha   1   
         28   "5	GLN	A	H	4	GLU	A	H	2	3"             29   1    29   74   parsed_6kha   1   
         29   "5	GLN	A	HA	5	GLN	A	H	2	3.8"          30   1    30   76   parsed_6kha   1   
         30   "5	GLN	A	QB	5	GLN	A	H	2	3.8"          31   1    31   76   parsed_6kha   1   
         31   "5	GLN	A	QB	6	CYS	A	H	2	3"            32   1    32   74   parsed_6kha   1   
         32   "5	GLN	A	QG	3	ASN	A	H	2	4.5"          33   1    33   76   parsed_6kha   1   
         33   "5	GLN	A	QG	5	GLN	A	H	2	3"            34   1    34   74   parsed_6kha   1   
         34   "6	CYS	A	HA	7	CYS	A	H	2	3.2"          35   1    35   76   parsed_6kha   1   
         35   "6	CYS	A	HB2	6	CYS	A	H	2	3"           36   1    36   74   parsed_6kha   1   
         36   "6	CYS	A	HB2	7	CYS	A	H	2	3.5"         37   1    37   76   parsed_6kha   1   
         37   
;
6	CYS	A	SG	11	CYS	A	SG	2	2.1
#6	CYS	A	CA	11	CYS	A	CA	2	4.8
#6	CYS	A	CB	11	CYS	A	CB	2	4.1
;
    38   1    40   76   parsed_6kha   1   
         38   "7	CYS	A	H	4	GLU	A	HA	2	3"            41   1    41   74   parsed_6kha   1   
         39   "7	CYS	A	HB2	4	GLU	A	HA	2	3"          42   1    42   74   parsed_6kha   1   
         40   "7	CYS	A	HB2	7	CYS	A	H	2	3.4"         43   1    43   76   parsed_6kha   1   
         41   "7	CYS	A	HB3	7	CYS	A	H	2	3"           44   1    44   74   parsed_6kha   1   
         42   
;
7	CYS	A	SG	7	CYS	B	SG	2	2.1
#7	CYS	A	CA	7	CYS	B	CA	2	4.6
#7	CYS	A	CB	7	CYS	B	CB	2	3.9
;
    45   1    47   76   parsed_6kha   1   
         43   "8	ALA	A	HA	9	SER	A	H	2	3.2"          48   1    48   76   parsed_6kha   1   
         44   "8	ALA	A	QB	8	ALA	A	H	2	2.8"          49   1    49   76   parsed_6kha   1   
         45   "9	SER	A	HA	10	VAL	A	H	2	3"           50   1    50   74   parsed_6kha   1   
         46   "9	SER	A	HB2	9	SER	A	H	2	3.5"         51   1    51   76   parsed_6kha   1   
         47   "9	SER	A	HB2	10	VAL	A	H	2	3.5"        52   1    52   76   parsed_6kha   1   
         48   "9	SER	A	HB3	9	SER	A	H	2	3.5"         53   1    53   76   parsed_6kha   1   
         49   "9	SER	A	HB3	10	VAL	A	H	2	3.5"        54   1    54   76   parsed_6kha   1   
         50   "10	VAL	A	H	10	VAL	A	H	2	4"           55   1    55   74   parsed_6kha   1   
         51   "10	VAL	A	HA	10	VAL	A	H	2	3.5"        56   1    56   76   parsed_6kha   1   
         52   "10	VAL	A	HB	10	VAL	A	H	2	3.2"        57   1    57   76   parsed_6kha   1   
         53   "10	VAL	A	QG1	10	VAL	A	H	2	3.2"       58   1    58   76   parsed_6kha   1   
         54   "10	VAL	A	QG2	5	HIS	B	HE	2	3.8"       59   1    59   76   parsed_6kha   1   
         55   "10	VAL	A	QG2	10	VAL	A	H	2	3.8"       60   1    60   76   parsed_6kha   1   
         56   "11	CYS	A	HA	12	SER	A	H	2	3.5"        61   1    61   76   parsed_6kha   1   
         57   "12	SER	A	H	13	LEU	A	H	2	3.5"         62   1    62   76   parsed_6kha   1   
         58   "12	SER	A	HA	13	LEU	A	H	2	3"          63   1    63   74   parsed_6kha   1   
         59   "12	SER	A	HA	15	GLN	A	H	2	5.2"        64   1    64   76   parsed_6kha   1   
         60   "12	SER	A	HB2	12	SER	A	H	2	3"         65   1    65   74   parsed_6kha   1   
         61   "12	SER	A	HB2	13	LEU	A	H	2	4"         66   1    66   74   parsed_6kha   1   
         62   "12	SER	A	HB3	12	SER	A	H	2	3"         67   1    67   74   parsed_6kha   1   
         63   "12	SER	A	HB3	13	LEU	A	H	2	4"         68   1    68   74   parsed_6kha   1   
         64   "13	LEU	A	HG	1	PHE	B	QD	2	5.2"        69   1    69   76   parsed_6kha   1   
         65   "13	LEU	A	HG	13	LEU	A	H	2	4"          70   1    70   74   parsed_6kha   1   
         66   "13	LEU	A	QB	13	LEU	A	H	2	3.8"        71   1    71   76   parsed_6kha   1   
         67   "13	LEU	A	QB	14	TYR	A	H	2	3.8"        72   1    72   76   parsed_6kha   1   
         68   "13	LEU	A	QD1	1	PHE	B	QD	2	5.2"       73   1    73   76   parsed_6kha   1   
         69   "13	LEU	A	QD1	13	LEU	A	H	2	4"         74   1    74   74   parsed_6kha   1   
         70   "13	LEU	A	QD2	1	PHE	B	QD	2	5.2"       75   1    75   76   parsed_6kha   1   
         71   "13	LEU	A	QD2	13	LEU	A	H	2	4"         76   1    76   74   parsed_6kha   1   
         72   "14	TYR	A	H	13	LEU	A	H	2	3.4"         77   1    77   76   parsed_6kha   1   
         73   "14	TYR	A	H	14	TYR	A	QE	2	4.5"        78   1    78   76   parsed_6kha   1   
         74   "14	TYR	A	HA	14	TYR	A	QD	2	4.2"       79   1    79   76   parsed_6kha   1   
         75   "14	TYR	A	HA	15	GLN	A	H	2	3.7"        80   1    80   76   parsed_6kha   1   
         76   "14	TYR	A	HA	18	ASN	A	H	2	3.5"        81   1    81   76   parsed_6kha   1   
         77   "14	TYR	A	HB2	14	TYR	A	QD	2	3.2"      82   1    82   76   parsed_6kha   1   
         78   "14	TYR	A	HB2	14	TYR	A	QE	2	3.5"      83   1    83   76   parsed_6kha   1   
         79   "14	TYR	A	HB2	14	TYR	A	H	2	3"         84   1    84   74   parsed_6kha   1   
         80   "14	TYR	A	HB3	14	TYR	A	H	2	3.6"       85   1    85   76   parsed_6kha   1   
         81   "14	TYR	A	HB2	15	GLN	A	H	2	3"         86   1    86   74   parsed_6kha   1   
         82   "14	TYR	A	HB3	14	TYR	A	QE	2	3.5"      87   1    87   76   parsed_6kha   1   
         83   "14	TYR	A	HB3	14	TYR	A	QD	2	3.5"      88   1    88   76   parsed_6kha   1   
         84   "14	TYR	A	HB3	14	TYR	A	H	2	3.2"       89   1    89   76   parsed_6kha   1   
         85   "14	TYR	A	HB3	15	GLN	A	H	2	3.2"       90   1    90   76   parsed_6kha   1   
         86   "15	GLN	A	H	14	TYR	A	HA	2	3.4"        91   1    91   76   parsed_6kha   1   
         87   "15	GLN	A	H	16	LEU	A	H	2	3.6"         92   1    92   76   parsed_6kha   1   
         88   
;
15	GLN	A	HA	16	LEU	A	H	2	3.2
#15	GLN	A	HA	18	GLN	A	QG	2	4.5
;
    93   1    94   76   parsed_6kha   1   
         89   "15	GLN	A	QB	15	GLN	A	H	2	3.5"        95   1    95   76   parsed_6kha   1   
         90   "15	GLN	A	QB	15	GLN	A	H	2	4"          96   1    96   74   parsed_6kha   1   
         91   "15	GLN	A	QB	15	GLN	A	QG	2	3.8"       97   1    97   76   parsed_6kha   1   
         92   "15	GLN	A	QB	15	GLN	A	QG	2	3.8"       98   1    98   76   parsed_6kha   1   
         93   "15	GLN	A	QB	16	LEU	A	H	2	4"          99   1    99   74   parsed_6kha   1   
         94   "15	GLN	A	QG	15	GLN	A	H	2	4"         100   1   100   74   parsed_6kha   1   
         95   "15	GLN	A	QG	15	GLN	A	QG	2	3.2"      101   1   101   76   parsed_6kha   1   
         96   "15	GLN	A	QG	15	GLN	A	QG	2	3.2"      102   1   102   76   parsed_6kha   1   
         97   "15	GLN	A	QG	16	LEU	A	H	2	4.2"       103   1   103   76   parsed_6kha   1   
         98   "16	LEU	A	H	14	TYR	A	HA	2	4"         104   1   104   74   parsed_6kha   1   
         99   "16	LEU	A	HA	17	GLU	A	H	2	4"         105   1   105   74   parsed_6kha   1   
        100   "16	LEU	A	HB2	16	LEU	A	H	2	3"        106   1   106   74   parsed_6kha   1   
        101   "16	LEU	A	HB3	13	LEU	A	HA	2	3"       107   1   107   74   parsed_6kha   1   
        102   "16	LEU	A	HB3	16	LEU	A	H	2	3"        108   1   108   74   parsed_6kha   1   
        103   "16	LEU	A	HG	16	LEU	A	H	2	4"         109   1   109   74   parsed_6kha   1   
        104   "16	LEU	A	QD1	16	LEU	A	H	2	4"        110   1   110   74   parsed_6kha   1   
        105   "16	LEU	A	QD2	16	LEU	A	H	2	3.2"      111   1   111   76   parsed_6kha   1   
        106   "17	GLU	A	H	13	LEU	A	HA	2	3.3"       112   1   112   76   parsed_6kha   1   
        107   "17	GLU	A	H	18	ASN	A	H	2	3"          113   1   113   74   parsed_6kha   1   
        108   "17	GLU	A	QG	17	GLU	A	H	2	3"         114   1   114   74   parsed_6kha   1   
        109   "17	GLU	A	QG	17	GLU	A	H	2	3"         115   1   115   74   parsed_6kha   1   
        110   "17	GLU	A	QG	18	ASN	A	H	2	4"         116   1   116   74   parsed_6kha   1   
        111   "17	GLU	A	QG	18	ASN	A	H	2	4"         117   1   117   74   parsed_6kha   1   
        112   "17	GLU	A	QB	14	TYR	A	HA	2	3.5"      118   1   118   76   parsed_6kha   1   
        113   "17	GLU	A	QB	17	GLU	A	H	2	3.5"       119   1   119   76   parsed_6kha   1   
        114   "17	GLU	A	QB	18	ASN	A	H	2	4"         120   1   120   74   parsed_6kha   1   
        115   "18	ASN	A	H	19	TYR	A	H	2	4"          121   1   121   74   parsed_6kha   1   
        116   "18	ASN	A	HA	18	ASN	A	QD2	2	3"       122   1   122   74   parsed_6kha   1   
        117   "18	ASN	A	HA	19	TYR	A	H	2	4"         123   1   123   74   parsed_6kha   1   
        118   "18	ASN	A	HB2	18	ASN	A	H	2	4"        124   1   124   74   parsed_6kha   1   
        119   "18	ASN	A	HB3	18	ASN	A	H	2	4"        125   1   125   74   parsed_6kha   1   
        120   "18	ASN	A	HB2	18	ASN	A	QD2	2	3.6"    126   1   126   76   parsed_6kha   1   
        121   "18	ASN	A	HB2	19	TYR	A	QE	2	5.2"     127   1   127   76   parsed_6kha   1   
        122   "18	ASN	A	HB2	19	TYR	A	QD	2	5.2"     128   1   128   76   parsed_6kha   1   
        123   "18	ASN	A	HB3	18	ASN	A	H	2	3.3"      129   1   129   76   parsed_6kha   1   
        124   "18	ASN	A	HB3	18	ASN	A	H	2	4.4"      130   1   130   76   parsed_6kha   1   
        125   "18	ASN	A	HB3	18	ASN	A	QD2	2	4.2"    131   1   131   76   parsed_6kha   1   
        126   "18	ASN	A	HB3	18	ASN	A	QD2	2	3.5"    132   1   132   76   parsed_6kha   1   
        127   "18	ASN	A	HB3	19	TYR	A	H	2	3.8"      133   1   133   76   parsed_6kha   1   
        128   "18	ASN	A	HB3	19	TYR	A	H	2	3.8"      134   1   134   76   parsed_6kha   1   
        129   "19	TYR	A	H	19	TYR	A	QE	2	4.5"       135   1   135   76   parsed_6kha   1   
        130   "19	TYR	A	H	19	TYR	A	QD	2	4.2"       136   1   136   76   parsed_6kha   1   
        131   "19	TYR	A	HA	19	TYR	A	QE	2	3.5"      137   1   137   76   parsed_6kha   1   
        132   "19	TYR	A	HA	19	TYR	A	QD	2	3.5"      138   1   138   76   parsed_6kha   1   
        133   "19	TYR	A	HA	20	CYS	A	H	2	3.5"       139   1   139   76   parsed_6kha   1   
        134   "19	TYR	A	HB2	19	TYR	A	QE	2	3"       140   1   140   74   parsed_6kha   1   
        135   "19	TYR	A	HB2	19	TYR	A	QD	2	3.2"     141   1   141   76   parsed_6kha   1   
        136   "19	TYR	A	HB2	19	TYR	A	H	2	3.2"      142   1   142   76   parsed_6kha   1   
        137   "19	TYR	A	HB2	20	CYS	A	H	2	4.5"      143   1   143   76   parsed_6kha   1   
        138   "19	TYR	A	HB3	20	CYS	A	H	2	4.2"      144   1   144   76   parsed_6kha   1   
        139   "19	TYR	A	HB3	19	TYR	A	QE	2	3.8"     145   1   145   76   parsed_6kha   1   
        140   "19	TYR	A	HB3	19	TYR	A	H	2	4"        146   1   146   74   parsed_6kha   1   
        141   "20	CYS	A	H	19	TYR	A	H	2	3.8"        147   1   147   76   parsed_6kha   1   
        142   "20	CYS	A	HB2	20	CYS	A	H	2	3.6"      148   1   148   76   parsed_6kha   1   
        143   "20	CYS	A	HB3	20	CYS	A	H	2	3.6"      149   1   149   76   parsed_6kha   1   
        144   "20	CYS	A	HA	25	PHE	B	H	2	5.2"       150   1   150   76   parsed_6kha   1   
        145   
;
20	CYS	A	SG	19	CYS	B	SG	2	2.1
#20	CYS	A	CA	19	CYS	B	CA	2	5.5
#20	CYS	A	CB	19	CYS	B	CB	2	3.8
;
   151   1   153   76   parsed_6kha   1   
        146   "21	ASN	A	HB2	21	ASN	A	H	2	3.5"      154   1   154   76   parsed_6kha   1   
        147   "21	ASN	A	HB3	21	ASN	A	H	2	3.8"      155   1   155   76   parsed_6kha   1   
        148   "1	PHE	B	HA	1	PHE	B	QE	2	3.2"        156   1   156   76   parsed_6kha   1   
        149   "1	PHE	B	HA	1	PHE	B	QD	2	3.2"        157   1   157   76   parsed_6kha   1   
        150   "1	PHE	B	QB	1	PHE	B	QE	2	3"          158   1   158   74   parsed_6kha   1   
        151   "1	PHE	B	QB	1	PHE	B	QD	2	4"          159   1   159   74   parsed_6kha   1   
        152   "1	PHE	B	QB	2	VAL	B	H	2	4"           160   1   160   74   parsed_6kha   1   
        153   "2	VAL	B	HA	3	ASN	B	H	2	4"           161   1   161   74   parsed_6kha   1   
        154   "2	VAL	B	HB	1	PHE	B	QD	2	4.5"        162   1   162   76   parsed_6kha   1   
        155   "2	VAL	B	HB	2	VAL	B	H	2	3.2"         163   1   163   76   parsed_6kha   1   
        156   "2	VAL	B	HB	3	ASN	B	H	2	3.6"         164   1   164   76   parsed_6kha   1   
        157   "2	VAL	B	QQG	2	VAL	B	H	2	4"          165   1   165   74   parsed_6kha   1   
        158   "2	VAL	B	QQG	3	ASN	B	H	2	3.5"        166   1   166   76   parsed_6kha   1   
        159   "2	VAL	B	QQG	4	GLN	B	QE2	2	5.2"      167   1   167   76   parsed_6kha   1   
        160   "3	ASN	B	H	2	VAL	B	H	2	4"            168   1   168   74   parsed_6kha   1   
        161   "3	ASN	B	H	3	ASN	B	HD21	2	3.5"       169   1   169   76   parsed_6kha   1   
        162   "3	ASN	B	H	3	ASN	B	HD22	2	3.5"       170   1   170   76   parsed_6kha   1   
        163   "3	ASN	B	HA	3	ASN	B	HD21	2	4"        171   1   171   74   parsed_6kha   1   
        164   "3	ASN	B	HA	4	GLN	B	H	2	4"           172   1   172   74   parsed_6kha   1   
        165   "3	ASN	B	QB	3	ASN	B	H	2	4"           173   1   173   74   parsed_6kha   1   
        166   "3	ASN	B	QB	3	ASN	B	HD21	2	3"        174   1   174   74   parsed_6kha   1   
        167   "3	ASN	B	QB	3	ASN	B	HD22	2	3"        175   1   175   74   parsed_6kha   1   
        168   "3	ASN	B	QB	4	GLN	B	H	2	3.5"         176   1   176   76   parsed_6kha   1   
        169   "4	GLN	B	H	5	HIS	B	H	2	4"            177   1   177   74   parsed_6kha   1   
        170   "4	GLN	B	HA	5	HIS	B	H	2	4"           178   1   178   74   parsed_6kha   1   
        171   "4	GLN	B	HB2	5	HIS	B	H	2	4"          179   1   179   74   parsed_6kha   1   
        172   "4	GLN	B	HB3	4	GLN	B	H	2	4.5"        180   1   180   76   parsed_6kha   1   
        173   "4	GLN	B	HB3	5	HIS	B	H	2	3.8"        181   1   181   76   parsed_6kha   1   
        174   "4	GLN	B	QG	5	HIS	B	H	2	4"           182   1   182   74   parsed_6kha   1   
        175   "5	HIS	B	H	5	HIS	B	HE	2	5"           183   1   183   74   parsed_6kha   1   
        176   "5	HIS	B	H	6	LEU	B	H	2	4"            184   1   184   74   parsed_6kha   1   
        177   "5	HIS	B	HA	5	HIS	B	HE	2	3"          185   1   185   74   parsed_6kha   1   
        178   "5	HIS	B	HA	6	LEU	B	H	2	3.8"         186   1   186   76   parsed_6kha   1   
        179   "5	HIS	B	HB2	5	HIS	B	HE	2	3.8"       187   1   187   76   parsed_6kha   1   
        180   "5	HIS	B	HB2	5	HIS	B	H	2	3.4"        188   1   188   76   parsed_6kha   1   
        181   "5	HIS	B	HB2	6	LEU	B	H	2	3.4"        189   1   189   76   parsed_6kha   1   
        182   "5	HIS	B	HB3	5	HIS	B	HE	2	3.4"       190   1   190   76   parsed_6kha   1   
        183   "5	HIS	B	HB3	5	HIS	B	H	2	4.7"        191   1   191   76   parsed_6kha   1   
        184   "6	LEU	B	HA	6	LEU	B	H	2	3.6"         192   1   192   76   parsed_6kha   1   
        185   "6	LEU	B	HA	7	CYS	B	H	2	4"           193   1   193   74   parsed_6kha   1   
        186   "6	LEU	B	QD2	7	CYS	B	H	2	5.2"        194   1   194   76   parsed_6kha   1   
        187   "6	LEU	B	QB	6	LEU	B	H	2	3"           195   1   195   74   parsed_6kha   1   
        188   "6	LEU	B	QB	7	CYS	B	H	2	4.5"         196   1   196   76   parsed_6kha   1   
        189   "6	LEU	B	QD1	7	CYS	B	H	2	5"          197   1   197   74   parsed_6kha   1   
        190   "7	CYS	B	HB2	7	CYS	B	H	2	3.5"        198   1   198   76   parsed_6kha   1   
        191   "7	CYS	B	HB3	7	CYS	B	H	2	3.5"        199   1   199   76   parsed_6kha   1   
        192   "8	GLY	B	HA2	9	SER	B	H	2	4"          200   1   200   74   parsed_6kha   1   
        193   "8	GLY	B	HA3	9	SER	B	H	2	4"          201   1   201   74   parsed_6kha   1   
        194   "9	SER	B	H	10	HIS	B	H	2	4"           202   1   202   74   parsed_6kha   1   
        195   "9	SER	B	HA	10	HIS	B	H	2	4"          203   1   203   74   parsed_6kha   1   
        196   "9	SER	B	HA	12	VAL	B	H	2	4.5"        204   1   204   76   parsed_6kha   1   
        197   "9	SER	B	QB	9	SER	B	H	2	3.5"         205   1   205   76   parsed_6kha   1   
        198   "9	SER	B	QB	10	HIS	B	H	2	4.2"        206   1   206   76   parsed_6kha   1   
        199   "10	HIS	B	H	10	HIS	B	HD	2	3.5"       207   1   207   76   parsed_6kha   1   
        200   "10	HIS	B	HA	10	HIS	B	HD	2	3.2"      208   1   208   76   parsed_6kha   1   
        201   "10	HIS	B	HA	11	LEU	B	H	2	3.5"       209   1   209   76   parsed_6kha   1   
        202   "10	HIS	B	HB2	10	HIS	B	H	2	3.5"      210   1   210   76   parsed_6kha   1   
        203   "10	HIS	B	HB3	10	HIS	B	H	2	3.5"      211   1   211   76   parsed_6kha   1   
        204   "10	HIS	B	HB2	10	HIS	B	H	2	3.5"      212   1   212   76   parsed_6kha   1   
        205   "10	HIS	B	HB3	10	HIS	B	H	2	3.5"      213   1   213   76   parsed_6kha   1   
        206   "10	HIS	B	HB2	11	LEU	B	H	2	4"        214   1   214   74   parsed_6kha   1   
        207   "10	HIS	B	HB3	11	LEU	B	H	2	4"        215   1   215   74   parsed_6kha   1   
        208   "11	LEU	B	H	10	HIS	B	H	2	4"          216   1   216   74   parsed_6kha   1   
        209   "11	LEU	B	H	10	HIS	B	HA	2	4"         217   1   217   74   parsed_6kha   1   
        210   "11	LEU	B	HA	12	VAL	B	H	2	4"         218   1   218   74   parsed_6kha   1   
        211   "11	LEU	B	QB	11	LEU	B	H	2	4"         219   1   219   74   parsed_6kha   1   
        212   "11	LEU	B	QD1	11	LEU	B	H	2	3.5"      220   1   220   76   parsed_6kha   1   
        213   "11	LEU	B	QD2	11	LEU	B	H	2	3.5"      221   1   221   76   parsed_6kha   1   
        214   "12	VAL	B	H	10	HIS	B	HA	2	3.8"       222   1   222   76   parsed_6kha   1   
        215   "12	VAL	B	H	11	LEU	B	HA	2	4.2"       223   1   223   76   parsed_6kha   1   
        216   "12	VAL	B	HA	13	GLU	B	H	2	4"         224   1   224   74   parsed_6kha   1   
        217   "12	VAL	B	HB	9	SER	B	HA	2	5"         225   1   225   74   parsed_6kha   1   
        218   "12	VAL	B	HB	12	VAL	B	H	2	3"         226   1   226   74   parsed_6kha   1   
        219   "12	VAL	B	HB	12	VAL	B	H	2	3"         227   1   227   74   parsed_6kha   1   
        220   "12	VAL	B	HB	13	GLU	B	H	2	4"         228   1   228   74   parsed_6kha   1   
        221   "12	VAL	B	HB	16	TYR	B	H	2	4"         229   1   229   74   parsed_6kha   1   
        222   "12	VAL	B	QG2	12	VAL	B	H	2	3.5"      230   1   230   76   parsed_6kha   1   
        223   "12	VAL	B	QG1	12	VAL	B	H	2	3.2"      231   1   231   76   parsed_6kha   1   
        224   "12	VAL	B	QG1	13	GLU	B	H	2	3"        232   1   232   74   parsed_6kha   1   
        225   "12	VAL	B	QG1	16	TYR	B	QE	2	3.2"     233   1   233   76   parsed_6kha   1   
        226   "12	VAL	B	QG2	12	VAL	B	H	2	3.4"      234   1   234   76   parsed_6kha   1   
        227   "12	VAL	B	QG2	26	TYR	B	QE	2	3.4"     235   1   235   76   parsed_6kha   1   
        228   "13	GLU	B	H	10	HIS	B	HA	2	5"         236   1   236   74   parsed_6kha   1   
        229   "13	GLU	B	H	11	LEU	B	HA	2	4.5"       237   1   237   76   parsed_6kha   1   
        230   "13	GLU	B	HA	14	ALA	B	H	2	4"         238   1   238   74   parsed_6kha   1   
        231   "13	GLU	B	QB	10	HIS	B	HA	2	4"        239   1   239   74   parsed_6kha   1   
        232   "13	GLU	B	QB	13	GLU	B	H	2	3"         240   1   240   74   parsed_6kha   1   
        233   "13	GLU	B	QB	14	ALA	B	H	2	3.5"       241   1   241   76   parsed_6kha   1   
        234   "13	GLU	B	QG	13	GLU	B	H	2	3.5"       242   1   242   76   parsed_6kha   1   
        235   "14	ALA	B	H	10	HIS	B	HA	2	3.6"       243   1   243   76   parsed_6kha   1   
        236   "14	ALA	B	H	11	LEU	B	HA	2	4"         244   1   244   74   parsed_6kha   1   
        237   "14	ALA	B	H	12	VAL	B	H	2	5"          245   1   245   74   parsed_6kha   1   
        238   "14	ALA	B	H	13	GLU	B	H	2	4"          246   1   246   74   parsed_6kha   1   
        239   "14	ALA	B	H	13	GLU	B	HA	2	4"         247   1   247   74   parsed_6kha   1   
        240   "14	ALA	B	QB	11	LEU	B	HA	2	4"        248   1   248   74   parsed_6kha   1   
        241   "14	ALA	B	QB	14	ALA	B	H	2	3"         249   1   249   74   parsed_6kha   1   
        242   "14	ALA	B	QB	15	LEU	B	H	2	3"         250   1   250   74   parsed_6kha   1   
        243   "14	ALA	B	HA	15	LEU	B	H	2	4"         251   1   251   74   parsed_6kha   1   
        244   "15	LEU	B	H	11	LEU	B	HA	2	4.2"       252   1   252   76   parsed_6kha   1   
        245   "15	LEU	B	H	12	VAL	B	HA	2	4.5"       253   1   253   76   parsed_6kha   1   
        246   "15	LEU	B	H	13	GLU	B	HA	2	4.5"       254   1   254   76   parsed_6kha   1   
        247   "15	LEU	B	H	14	ALA	B	H	2	3.5"        255   1   255   76   parsed_6kha   1   
        248   "15	LEU	B	HA	16	TYR	B	H	2	3.5"       256   1   256   76   parsed_6kha   1   
        249   "15	LEU	B	QB	12	VAL	B	HA	2	3.5"      257   1   257   76   parsed_6kha   1   
        250   "15	LEU	B	QB	15	LEU	B	H	2	4"         258   1   258   74   parsed_6kha   1   
        251   "15	LEU	B	QD1	15	LEU	B	H	2	4"        259   1   259   74   parsed_6kha   1   
        252   "15	LEU	B	QD1	16	TYR	B	H	2	4.5"      260   1   260   76   parsed_6kha   1   
        253   "15	LEU	B	QD1	24	PHE	B	QE	2	5"       261   1   261   74   parsed_6kha   1   
        254   "15	LEU	B	QD1	24	PHE	B	QD	2	5"       262   1   262   74   parsed_6kha   1   
        255   "15	LEU	B	QD2	15	LEU	B	H	2	4"        263   1   263   74   parsed_6kha   1   
        256   
;
15	LEU	B	QD2	16	TYR	B	H	2	4
#15	LEU	B	QD2	19	TYR	B	QD	2	3.8
;
   264   1   265   76   parsed_6kha   1   
        257   "15	LEU	B	QD2	24	PHE	B	QD	2	5"       266   1   266   74   parsed_6kha   1   
        258   "15	LEU	B	QD2	24	PHE	B	QD	2	5"       267   1   267   74   parsed_6kha   1   
        259   "15	LEU	B	QD2	24	PHE	B	QD	2	5"       268   1   268   74   parsed_6kha   1   
        260   "16	TYR	B	H	12	VAL	B	HA	2	4.5"       269   1   269   76   parsed_6kha   1   
        261   "16	TYR	B	H	13	GLU	B	HA	2	4"         270   1   270   74   parsed_6kha   1   
        262   "16	TYR	B	H	16	TYR	B	QE	2	3"         271   1   271   74   parsed_6kha   1   
        263   "16	TYR	B	HA	16	TYR	B	QE	2	3"        272   1   272   74   parsed_6kha   1   
        264   "16	TYR	B	HA	16	TYR	B	QD	2	3"        273   1   273   74   parsed_6kha   1   
        265   "16	TYR	B	HA	17	LEU	B	H	2	3"         274   1   274   74   parsed_6kha   1   
        266   "16	TYR	B	HB3	16	TYR	B	QD	2	3"       275   1   275   74   parsed_6kha   1   
        267   "16	TYR	B	HB2	16	TYR	B	QD	2	3.5"     276   1   276   76   parsed_6kha   1   
        268   "16	TYR	B	HB3	16	TYR	B	QE	2	3.5"     277   1   277   76   parsed_6kha   1   
        269   "16	TYR	B	HB2	16	TYR	B	QE	2	3.5"     278   1   278   76   parsed_6kha   1   
        270   "16	TYR	B	HB3	16	TYR	B	H	2	3.5"      279   1   279   76   parsed_6kha   1   
        271   "16	TYR	B	HB2	16	TYR	B	H	2	3.5"      280   1   280   76   parsed_6kha   1   
        272   "16	TYR	B	HB3	17	LEU	B	H	2	3.5"      281   1   281   76   parsed_6kha   1   
        273   "17	LEU	B	H	16	TYR	B	H	2	3.2"        282   1   282   76   parsed_6kha   1   
        274   "17	LEU	B	H	18	VAL	B	H	2	3.5"        283   1   283   76   parsed_6kha   1   
        275   "17	LEU	B	HA	18	VAL	B	H	2	3.6"       284   1   284   76   parsed_6kha   1   
        276   "17	LEU	B	HB2	14	ALA	B	HA	2	3.5"     285   1   285   76   parsed_6kha   1   
        277   "17	LEU	B	HB2	17	LEU	B	H	2	3.5"      286   1   286   76   parsed_6kha   1   
        278   "17	LEU	B	HB3	17	LEU	B	H	2	3.8"      287   1   287   76   parsed_6kha   1   
        279   "17	LEU	B	HG	17	LEU	B	H	2	4"         288   1   288   74   parsed_6kha   1   
        280   "17	LEU	B	QQD	17	LEU	B	H	2	3.8"      289   1   289   76   parsed_6kha   1   
        281   "18	VAL	B	H	17	LEU	B	H	2	3.5"        290   1   290   76   parsed_6kha   1   
        282   "18	VAL	B	H	19	CYS	B	H	2	4"          291   1   291   74   parsed_6kha   1   
        283   "18	VAL	B	HA	19	CYS	B	H	2	3.6"       292   1   292   76   parsed_6kha   1   
        284   "18	VAL	B	HB	18	VAL	B	H	2	3"         293   1   293   74   parsed_6kha   1   
        285   "18	VAL	B	HB	19	CYS	B	H	2	4"         294   1   294   74   parsed_6kha   1   
        286   "18	VAL	B	QG1	18	VAL	B	H	2	4"        295   1   295   74   parsed_6kha   1   
        287   "18	VAL	B	QG1	19	CYS	B	H	2	4"        296   1   296   74   parsed_6kha   1   
        288   "18	VAL	B	QG2	18	VAL	B	H	2	4"        297   1   297   74   parsed_6kha   1   
        289   "18	VAL	B	QG2	19	CYS	B	H	2	4"        298   1   298   74   parsed_6kha   1   
        290   "19	CYS	B	H	20	GLY	B	H	2	4.5"        299   1   299   76   parsed_6kha   1   
        291   "19	CYS	B	HB3	19	CYS	B	H	2	3"        300   1   300   74   parsed_6kha   1   
        292   "19	CYS	B	HB3	20	GLY	B	H	2	3.5"      301   1   301   76   parsed_6kha   1   
        293   "19	CYS	B	HB3	24	PHE	B	QD	2	4"       302   1   302   74   parsed_6kha   1   
        294   "19	CYS	B	HB2	19	CYS	B	H	2	3.5"      303   1   303   76   parsed_6kha   1   
        295   "20	GLY	B	QA	21	GLU	B	H	2	3"         304   1   304   74   parsed_6kha   1   
        296   "21	GLU	B	HA	22	ARG	B	H	2	3.5"       305   1   305   76   parsed_6kha   1   
        297   "21	GLU	B	HB2	21	GLU	B	H	2	3.5"      306   1   306   76   parsed_6kha   1   
        298   "21	GLU	B	HB2	22	ARG	B	H	2	3.5"      307   1   307   76   parsed_6kha   1   
        299   "21	GLU	B	HB3	21	GLU	B	H	2	4"        308   1   308   74   parsed_6kha   1   
        300   "21	GLU	B	HB3	22	ARG	B	H	2	4"        309   1   309   74   parsed_6kha   1   
        301   "21	GLU	B	QG	21	GLU	B	H	2	3.5"       310   1   310   76   parsed_6kha   1   
        302   "21	GLU	B	QG	22	ARG	B	H	2	3.5"       311   1   311   76   parsed_6kha   1   
        303   "22	ARG	B	HA	23	GLY	B	H	2	3.5"       312   1   312   76   parsed_6kha   1   
        304   "22	ARG	B	QB	22	ARG	B	H	2	3"         313   1   313   74   parsed_6kha   1   
        305   "22	ARG	B	QB	24	PHE	B	QE	2	3.8"      314   1   314   76   parsed_6kha   1   
        306   "22	ARG	B	QD	22	ARG	B	H	2	4"         315   1   315   74   parsed_6kha   1   
        307   "22	ARG	B	QG	22	ARG	B	H	2	4"         316   1   316   74   parsed_6kha   1   
        308   "23	GLY	B	H	24	PHE	B	H	2	4"          317   1   317   74   parsed_6kha   1   
        309   "23	GLY	B	HA2	24	PHE	B	QD	2	4.2"     318   1   318   76   parsed_6kha   1   
        310   "23	GLY	B	HA3	24	PHE	B	QD	2	4.2"     319   1   319   76   parsed_6kha   1   
        311   "23	GLY	B	HA2	24	PHE	B	H	2	3"        320   1   320   74   parsed_6kha   1   
        312   "24	PHE	B	H	24	PHE	B	QE	2	4"         321   1   321   74   parsed_6kha   1   
        313   "24	PHE	B	H	24	PHE	B	QD	2	4"         322   1   322   74   parsed_6kha   1   
        314   "24	PHE	B	HA	24	PHE	B	QE	2	4"        323   1   323   74   parsed_6kha   1   
        315   "24	PHE	B	HA	24	PHE	B	QD	2	4"        324   1   324   74   parsed_6kha   1   
        316   "24	PHE	B	HA	24	PHE	B	QD	2	4"        325   1   325   74   parsed_6kha   1   
        317   "24	PHE	B	HA	25	PHE	B	H	2	3"         326   1   326   74   parsed_6kha   1   
        318   "24	PHE	B	HB3	24	PHE	B	QE	2	4"       327   1   327   74   parsed_6kha   1   
        319   "24	PHE	B	HB3	24	PHE	B	QD	2	4"       328   1   328   74   parsed_6kha   1   
        320   "24	PHE	B	QB	16	TYR	B	QE	2	4"        329   1   329   74   parsed_6kha   1   
        321   "24	PHE	B	QB	24	PHE	B	QD	2	4"        330   1   330   74   parsed_6kha   1   
        322   "24	PHE	B	QB	24	PHE	B	H	2	3.5"       331   1   331   76   parsed_6kha   1   
        323   "25	PHE	B	H	25	PHE	B	H	2	4.5"        332   1   332   76   parsed_6kha   1   
        324   "25	PHE	B	H	25	PHE	B	QD	2	4"         333   1   333   74   parsed_6kha   1   
        325   "25	PHE	B	HA	25	PHE	B	H	2	4.5"       334   1   334   76   parsed_6kha   1   
        326   "25	PHE	B	HA	25	PHE	B	QE	2	4"        335   1   335   74   parsed_6kha   1   
        327   "25	PHE	B	HA	25	PHE	B	QD	2	4"        336   1   336   74   parsed_6kha   1   
        328   "25	PHE	B	HA	26	TYR	B	H	2	3.5"       337   1   337   76   parsed_6kha   1   
        329   "25	PHE	B	HB2	25	PHE	B	H	2	3"        338   1   338   74   parsed_6kha   1   
        330   "25	PHE	B	HB2	26	TYR	B	H	2	4"        339   1   339   74   parsed_6kha   1   
        331   "25	PHE	B	HB3	25	PHE	B	H	2	4.5"      340   1   340   76   parsed_6kha   1   
        332   "25	PHE	B	HB3	25	PHE	B	QE	2	4"       341   1   341   74   parsed_6kha   1   
        333   "25	PHE	B	HB3	25	PHE	B	QD	2	4"       342   1   342   74   parsed_6kha   1   
        334   "25	PHE	B	HB3	25	PHE	B	H	2	3.5"      343   1   343   76   parsed_6kha   1   
        335   "25	PHE	B	HB3	26	TYR	B	H	2	4"        344   1   344   74   parsed_6kha   1   
        336   "26	TYR	B	QE	26	TYR	B	QD	2	4"        345   1   345   74   parsed_6kha   1   
        337   "26	TYR	B	H	25	PHE	B	H	2	3.5"        346   1   346   76   parsed_6kha   1   
        338   "26	TYR	B	H	26	TYR	B	QE	2	4"         347   1   347   74   parsed_6kha   1   
        339   "26	TYR	B	HA	26	TYR	B	QE	2	4"        348   1   348   74   parsed_6kha   1   
        340   "26	TYR	B	HA	26	TYR	B	QD	2	4"        349   1   349   74   parsed_6kha   1   
        341   "26	TYR	B	HA	27	THR	B	H	2	3.5"       350   1   350   76   parsed_6kha   1   
        342   "26	TYR	B	QB	25	PHE	B	QD	2	3.5"      351   1   351   76   parsed_6kha   1   
        343   "26	TYR	B	QB	26	TYR	B	QE	2	4"        352   1   352   74   parsed_6kha   1   
        344   "26	TYR	B	QB	26	TYR	B	QD	2	4"        353   1   353   74   parsed_6kha   1   
        345   "26	TYR	B	QB	26	TYR	B	H	2	4"         354   1   354   74   parsed_6kha   1   
        346   "26	TYR	B	QB	27	THR	B	H	2	4"         355   1   355   74   parsed_6kha   1   
        347   "27	THR	B	H	26	TYR	B	QD	2	4"         356   1   356   74   parsed_6kha   1   
        348   
;
27	THR	B	HB	27	THR	B	H	2	3.2
#27	THR	B	QG	19	TYR	B	QE	2	4
#27	THR	B	QG	19	TYR	B	QD	2	4
;
   357   1   359   74   parsed_6kha   1   
        349   "27	THR	B	QG	25	PHE	B	QE	2	4"        360   1   360   74   parsed_6kha   1   
        350   "27	THR	B	QG	25	PHE	B	QD	2	4"        361   1   361   74   parsed_6kha   1   
        351   "27	THR	B	QG	27	THR	B	H	2	3.5"       362   1   362   76   parsed_6kha   1   
    stop_

save_





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