NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
30297 1ccf cing 2-parsed STAR entry full


data_1ccf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ccf 
    _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_1ccf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ccf 
    _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   1ccf   "Master copy"    parsed_1ccf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ccf 
    _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   1ccf.mr   .   .   "MR format"    1   comment    "Not applicable"    "Not applicable"    0   parsed_1ccf   1   
        1   1ccf.mr   .   .    DYANA/DIANA   2   distance    NOE                 simple             0   parsed_1ccf   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_1ccf 
    _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    COAGULATION FACTOR                      19-MAY-93   1CCF     
*COMPND    COAGULATION FACTOR X (THE CALCIUM FORM OF THE N-TERMINAL 
*COMPND   2 EGF-LIKE MODULE) (NMR, 15 STRUCTURES)                
*SOURCE    BOVINE (BOS TAURUS)                          
*AUTHOR    M.SELANDER-SUNNERHAGEN,M.ULLNER,M.PERSSON,O.TELEMAN,      
*AUTHOR   2 J.STENFLO,T.DRAKENBERG   
*REVDAT   2   31-MAR-09 1CCF    1       ADD MR DATA                         
*REVDAT   1   31-MAY-94 1CCF    0                                      
;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1ccf 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_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   "45     LYS  HA  "                       1   1     1   17   parsed_1ccf   1   
          2   "45     LYS  LB     3.9500  2.1350"      2   4     2   37   parsed_1ccf   1   
          3   "46     ASP  HA  "                       3   1     3   17   parsed_1ccf   1   
          4   "46     ASP  LB     3.4000  1.8000"      4   4     4   37   parsed_1ccf   1   
          5   "47     GLY  H      3.1000  2.1700"      5   4     5   37   parsed_1ccf   1   
          6   "47     GLY  LA     4.7900  2.7230"      6   4     6   37   parsed_1ccf   1   
          7   "46     ASP  1HB "                       7   1     7   17   parsed_1ccf   1   
          8   "47     GLY  H      1000.   2.8000"      8   4     8   37   parsed_1ccf   1   
          9   "46     ASP  LB  "                       9   1     9   17   parsed_1ccf   1   
         10   "47     GLY  H      5.3200  3.0940"     10   4    10   37   parsed_1ccf   1   
         11   "49     GLN  1HE2   5.7300  3.3810"     11   4    11   37   parsed_1ccf   1   
         12   "49     GLN  2HE2   1000.   3.8000"     12   4    12   37   parsed_1ccf   1   
         13   "66     GLY  H      4.8800  2.7860"     13   4    13   37   parsed_1ccf   1   
         14   "46     ASP  2HB "                      14   1    14   17   parsed_1ccf   1   
         15   "47     GLY  H      1000.   2.8000"     15   4    15   37   parsed_1ccf   1   
         16   "47     GLY  H   "                      16   1    16   17   parsed_1ccf   1   
         17   "47     GLY  LA     4.0200  2.1840"     17   4    17   37   parsed_1ccf   1   
         18   "49     GLN  1HE2   5.0000  3.0000"     18   4    18   37   parsed_1ccf   1   
         19   "47     GLY  1HA "                      19   1    19   17   parsed_1ccf   1   
         20   "48     ASP  H      3.0000  2.1000"     20   4    20   37   parsed_1ccf   1   
         21   "47     GLY  LA  "                      21   1    21   17   parsed_1ccf   1   
         22   "49     GLN  1HE2   5.4200  3.1640"     22   4    22   37   parsed_1ccf   1   
         23   "49     GLN  2HE2   1000.   3.8000"     23   4    23   37   parsed_1ccf   1   
         24   "48     ASP  H   "                      24   1    24   17   parsed_1ccf   1   
         25   "48     ASP  1HB    3.8700  2.3300"     25   4    25   37   parsed_1ccf   1   
         26   "48     ASP  2HB    3.8700  2.3300"     26   4    26   37   parsed_1ccf   1   
         27   "48     ASP  HA  "                      27   1    27   17   parsed_1ccf   1   
         28   "48     ASP  1HB    3.1700  1.8300"     28   4    28   37   parsed_1ccf   1   
         29   "48     ASP  2HB    3.1700  1.8300"     29   4    29   37   parsed_1ccf   1   
         30   "49     GLN  H      3.3200  2.3240"     30   4    30   37   parsed_1ccf   1   
         31   "48     ASP  LB  "                      31   1    31   17   parsed_1ccf   1   
         32   "49     GLN  H      5.6200  3.3040"     32   4    32   37   parsed_1ccf   1   
         33   "49     GLN  H   "                      33   1    33   17   parsed_1ccf   1   
         34   "49     GLN  2HB    3.5900  2.5130"     34   4    34   37   parsed_1ccf   1   
         35   "50     CYS  H      3.2800  2.2960"     35   4    35   37   parsed_1ccf   1   
         36   "63     HYA  HB     4.6500  3.0100"     36   4    36   37   parsed_1ccf   1   
         37   "49     GLN  HA  "                      37   1    37   17   parsed_1ccf   1   
         38   "49     GLN  2HB    2.8100  1.9670"     38   4    38   37   parsed_1ccf   1   
         39   "49     GLN  2HE2   4.4700  3.1290"     39   4    39   37   parsed_1ccf   1   
         40   "50     CYS  H      4.0700  2.4900"     40   4    40   37   parsed_1ccf   1   
         41   "51     GLU  H      4.4800  3.1360"     41   4    41   37   parsed_1ccf   1   
         42   "68     TYR  HD2    4.8400  3.3880"     42   4    42   37   parsed_1ccf   1   
         43   "49     GLN  1HB "                      43   1    43   17   parsed_1ccf   1   
         44   "49     GLN  2HE2   1000.   2.8000"     44   4    44   37   parsed_1ccf   1   
         45   "50     CYS  H      4.3700  3.0590"     45   4    45   37   parsed_1ccf   1   
         46   "68     TYR  1HB    3.7800  2.6460"     46   4    46   37   parsed_1ccf   1   
         47   "68     TYR  2HB    3.4100  2.3870"     47   4    47   37   parsed_1ccf   1   
         48   "49     GLN  2HB "                      48   1    48   17   parsed_1ccf   1   
         49   "49     GLN  2HE2   4.4300  3.1010"     49   4    49   37   parsed_1ccf   1   
         50   "50     CYS  H      4.4900  3.1430"     50   4    50   37   parsed_1ccf   1   
         51   "67     ASP  HA     4.5000  2.2500"     51   4    51   37   parsed_1ccf   1   
         52   "68     TYR  HA     4.4300  3.1010"     52   4    52   37   parsed_1ccf   1   
         53   "68     TYR  KE     5.5600  2.4920"     53   4    53   37   parsed_1ccf   1   
         54   "68     TYR  HD2    2.8600  2.0020"     54   4    54   37   parsed_1ccf   1   
         55   "49     GLN  LG  "                      55   1    55   17   parsed_1ccf   1   
         56   "49     GLN  1HE2   4.5500  2.5550"     56   4    56   37   parsed_1ccf   1   
         57   "49     GLN  2HE2   3.5300  1.8410"     57   4    57   37   parsed_1ccf   1   
         58   "67     ASP  HA     4.5300  2.5410"     58   4    58   37   parsed_1ccf   1   
         59   "49     GLN  1HE2"                      59   1    59   17   parsed_1ccf   1   
         60   "66     GLY  H      5.5000  3.3000"     60   4    60   37   parsed_1ccf   1   
         61   "66     GLY  2HA    4.1000  2.8700"     61   4    61   37   parsed_1ccf   1   
         62   "49     GLN  2HE2"                      62   1    62   17   parsed_1ccf   1   
         63   "66     GLY  2HA    5.0100  3.5070"     63   4    63   37   parsed_1ccf   1   
         64   "50     CYS  H   "                      64   1    64   17   parsed_1ccf   1   
         65   "50     CYS  LB     3.8500  2.0650"     65   4    65   37   parsed_1ccf   1   
         66   "51     GLU  H      3.2700  2.2890"     66   4    66   37   parsed_1ccf   1   
         67   "50     CYS  HA  "                      67   1    67   17   parsed_1ccf   1   
         68   "54     PRO  1HG    3.3300  2.3310"     68   4    68   37   parsed_1ccf   1   
         69   "54     PRO  2HG    3.1100  2.1770"     69   4    69   37   parsed_1ccf   1   
         70   "50     CYS  1HB "                      70   1    70   17   parsed_1ccf   1   
         71   "51     GLU  H      4.9600  3.2800"     71   4    71   37   parsed_1ccf   1   
         72   "50     CYS  LB  "                      72   1    72   17   parsed_1ccf   1   
         73   "63     HYA  HB     4.6200  2.7400"     73   4    73   37   parsed_1ccf   1   
         74   "50     CYS  2HB "                      74   1    74   17   parsed_1ccf   1   
         75   "51     GLU  H      4.9600  3.2800"     75   4    75   37   parsed_1ccf   1   
         76   "50     CYS  SG  "                      76   1    76   17   parsed_1ccf   1   
         77   "61     CYS  SG     2.5000  1.8000"     77   4    77   37   parsed_1ccf   1   
         78   "51     GLU  H   "                      78   1    78   17   parsed_1ccf   1   
         79   "51     GLU  HA     3.4500  2.4150"     79   4    79   37   parsed_1ccf   1   
         80   "51     GLU  1HB    3.3200  2.0300"     80   4    80   37   parsed_1ccf   1   
         81   "51     GLU  2HB    3.3200  2.0300"     81   4    81   37   parsed_1ccf   1   
         82   "51     GLU  LG     4.8000  2.7300"     82   4    82   37   parsed_1ccf   1   
         83   "52     GLY  H      3.2900  2.3030"     83   4    83   37   parsed_1ccf   1   
         84   "51     GLU  HA  "                      84   1    84   17   parsed_1ccf   1   
         85   "51     GLU  1HB    2.8200  1.9740"     85   4    85   37   parsed_1ccf   1   
         86   "51     GLU  2HB    2.8200  1.9740"     86   4    86   37   parsed_1ccf   1   
         87   "51     GLU  LG     4.2700  2.3590"     87   4    87   37   parsed_1ccf   1   
         88   "52     GLY  H      3.0800  2.1560"     88   4    88   37   parsed_1ccf   1   
         89   "53     HIS  H      3.9300  2.7510"     89   4    89   37   parsed_1ccf   1   
         90   "51     GLU  LB  "                      90   1    90   17   parsed_1ccf   1   
         91   "52     GLY  H      5.1600  2.9820"     91   4    91   37   parsed_1ccf   1   
         92   "52     GLY  H   "                      92   1    92   17   parsed_1ccf   1   
         93   "52     GLY  1HA    2.8100  1.9670"     93   4    93   37   parsed_1ccf   1   
         94   "52     GLY  2HA    3.1000  2.1700"     94   4    94   37   parsed_1ccf   1   
         95   "53     HIS  H      3.0600  2.1420"     95   4    95   37   parsed_1ccf   1   
         96   "52     GLY  1HA "                      96   1    96   17   parsed_1ccf   1   
         97   "53     HIS  H      3.9800  2.4900"     97   4    97   37   parsed_1ccf   1   
         98   "52     GLY  2HA "                      98   1    98   17   parsed_1ccf   1   
         99   "53     HIS  H      3.8900  2.4900"     99   4    99   37   parsed_1ccf   1   
        100   "53     HIS  H   "                     100   1   100   17   parsed_1ccf   1   
        101   "53     HIS  HA     2.5000  1.8000"    101   4   101   37   parsed_1ccf   1   
        102   "54     PRO  2HG    5.5000  3.3000"    102   4   102   37   parsed_1ccf   1   
        103   "54     PRO  HA  "                     103   1   103   17   parsed_1ccf   1   
        104   "54     PRO  2HB    2.5500  1.8000"    104   4   104   37   parsed_1ccf   1   
        105   "54     PRO  2HG    3.9200  2.7440"    105   4   105   37   parsed_1ccf   1   
        106   "54     PRO  1HD    3.8500  2.6950"    106   4   106   37   parsed_1ccf   1   
        107   "54     PRO  2HD    3.3700  2.3590"    107   4   107   37   parsed_1ccf   1   
        108   "55     CYS  H      4.1000  2.4900"    108   4   108   37   parsed_1ccf   1   
        109   "54     PRO  1HB "                     109   1   109   17   parsed_1ccf   1   
        110   "54     PRO  2HG    2.7500  1.9250"    110   4   110   37   parsed_1ccf   1   
        111   "54     PRO  1HD    3.8300  2.6810"    111   4   111   37   parsed_1ccf   1   
        112   "55     CYS  H      4.2800  2.9960"    112   4   112   37   parsed_1ccf   1   
        113   "68     TYR  HD1    4.4900  3.1430"    113   4   113   37   parsed_1ccf   1   
        114   "68     TYR  HE1    3.2300  2.2610"    114   4   114   37   parsed_1ccf   1   
        115   "54     PRO  2HB "                     115   1   115   17   parsed_1ccf   1   
        116   "54     PRO  2HG    2.8600  2.0020"    116   4   116   37   parsed_1ccf   1   
        117   "54     PRO  1HD    4.1700  2.9190"    117   4   117   37   parsed_1ccf   1   
        118   "68     TYR  HE1    4.1400  2.8980"    118   4   118   37   parsed_1ccf   1   
        119   "54     PRO  1HG "                     119   1   119   17   parsed_1ccf   1   
        120   "54     PRO  1HD    2.7300  1.9110"    120   4   120   37   parsed_1ccf   1   
        121   "54     PRO  2HD    3.3200  2.3240"    121   4   121   37   parsed_1ccf   1   
        122   "55     CYS  H      3.1200  2.1840"    122   4   122   37   parsed_1ccf   1   
        123   "68     TYR  HD1    3.8100  2.6670"    123   4   123   37   parsed_1ccf   1   
        124   "68     TYR  KE     5.3700  2.3590"    124   4   124   37   parsed_1ccf   1   
        125   "54     PRO  2HG "                     125   1   125   17   parsed_1ccf   1   
        126   "54     PRO  1HD    2.9900  2.0930"    126   4   126   37   parsed_1ccf   1   
        127   "54     PRO  2HD    2.7300  1.9110"    127   4   127   37   parsed_1ccf   1   
        128   "55     CYS  H      4.6000  3.2200"    128   4   128   37   parsed_1ccf   1   
        129   "68     TYR  KD     6.3000  3.0100"    129   4   129   37   parsed_1ccf   1   
        130   "68     TYR  KE     5.8000  2.6600"    130   4   130   37   parsed_1ccf   1   
        131   "55     CYS  H   "                     131   1   131   17   parsed_1ccf   1   
        132   "55     CYS  HA     3.1600  2.2000"    132   4   132   37   parsed_1ccf   1   
        133   "55     CYS  1HB    3.0500  2.1350"    133   4   133   37   parsed_1ccf   1   
        134   "55     CYS  2HB    3.7200  2.6040"    134   4   134   37   parsed_1ccf   1   
        135   "55     CYS  HA  "                     135   1   135   17   parsed_1ccf   1   
        136   "55     CYS  1HB    2.8700  2.0090"    136   4   136   37   parsed_1ccf   1   
        137   "55     CYS  2HB    2.7100  1.8970"    137   4   137   37   parsed_1ccf   1   
        138   "56     LEU  H      2.7000  1.8900"    138   4   138   37   parsed_1ccf   1   
        139   "56     LEU  HG     4.1900  2.9330"    139   4   139   37   parsed_1ccf   1   
        140   "80     ASN  HA     3.0400  2.1280"    140   4   140   37   parsed_1ccf   1   
        141   "80     ASN  2HB    2.8600  2.0020"    141   4   141   37   parsed_1ccf   1   
        142   "55     CYS  1HB "                     142   1   142   17   parsed_1ccf   1   
        143   "56     LEU  H      5.0400  3.2500"    143   4   143   37   parsed_1ccf   1   
        144   "59     GLY  1HA    3.0400  2.1280"    144   4   144   37   parsed_1ccf   1   
        145   "55     CYS  2HB "                     145   1   145   17   parsed_1ccf   1   
        146   "59     GLY  H      3.4500  2.4150"    146   4   146   37   parsed_1ccf   1   
        147   "59     GLY  1HA    2.8600  2.0020"    147   4   147   37   parsed_1ccf   1   
        148   "70     CYS  2HB    3.3700  2.3590"    148   4   148   37   parsed_1ccf   1   
        149   "55     CYS  SG  "                     149   1   149   17   parsed_1ccf   1   
        150   "70     CYS  SG     2.5000  1.8000"    150   4   150   37   parsed_1ccf   1   
        151   "56     LEU  H   "                     151   1   151   17   parsed_1ccf   1   
        152   "56     LEU  HA     3.4700  2.2800"    152   4   152   37   parsed_1ccf   1   
        153   "56     LEU  1HB    2.7300  1.9110"    153   4   153   37   parsed_1ccf   1   
        154   "56     LEU  2HB    3.6700  2.5690"    154   4   154   37   parsed_1ccf   1   
        155   "56     LEU  HG     2.8300  1.9810"    155   4   155   37   parsed_1ccf   1   
        156   "56     LEU  QD     6.7900  3.1430"    156   4   156   37   parsed_1ccf   1   
        157   "80     ASN  HA     4.6100  3.2270"    157   4   157   37   parsed_1ccf   1   
        158   "81     CYS  1HB    3.3300  2.3310"    158   4   158   37   parsed_1ccf   1   
        159   "81     CYS  2HB    4.7300  3.3110"    159   4   159   37   parsed_1ccf   1   
        160   "56     LEU  HA  "                     160   1   160   17   parsed_1ccf   1   
        161   "56     LEU  1HB    2.8500  1.9950"    161   4   161   37   parsed_1ccf   1   
        162   "56     LEU  2HB    2.5300  1.8000"    162   4   162   37   parsed_1ccf   1   
        163   "56     LEU  HG     3.2200  2.2540"    163   4   163   37   parsed_1ccf   1   
        164   "56     LEU  MD1    6.1200  3.3900"    164   4   164   37   parsed_1ccf   1   
        165   "56     LEU  MD2    4.1600  2.2500"    165   4   165   37   parsed_1ccf   1   
        166   "57     ASN  H      2.6000  1.8200"    166   4   166   37   parsed_1ccf   1   
        167   "58     GLN  H      4.0900  2.8630"    167   4   167   37   parsed_1ccf   1   
        168   "56     LEU  1HB "                     168   1   168   17   parsed_1ccf   1   
        169   "56     LEU  MD1    3.5800  1.9100"    169   4   169   37   parsed_1ccf   1   
        170   "56     LEU  MD2    4.7400  2.5900"    170   4   170   37   parsed_1ccf   1   
        171   "57     ASN  H      3.6100  2.5270"    171   4   171   37   parsed_1ccf   1   
        172   "57     ASN  1HD2   3.0500  2.1350"    172   4   172   37   parsed_1ccf   1   
        173   "57     ASN  2HD2   3.8900  2.7230"    173   4   173   37   parsed_1ccf   1   
        174   "80     ASN  1HB    3.1500  2.2050"    174   4   174   37   parsed_1ccf   1   
        175   "80     ASN  2HB    2.9800  2.0860"    175   4   175   37   parsed_1ccf   1   
        176   "80     ASN  1HD2   4.3600  3.0520"    176   4   176   37   parsed_1ccf   1   
        177   "56     LEU  2HB "                     177   1   177   17   parsed_1ccf   1   
        178   "56     LEU  MD1    4.0500  2.1800"    178   4   178   37   parsed_1ccf   1   
        179   "56     LEU  MD2    3.8700  2.0800"    179   4   179   37   parsed_1ccf   1   
        180   "57     ASN  H      2.6500  1.8550"    180   4   180   37   parsed_1ccf   1   
        181   "57     ASN  1HD2   4.1200  2.8840"    181   4   181   37   parsed_1ccf   1   
        182   "57     ASN  2HD2   3.8500  2.6950"    182   4   182   37   parsed_1ccf   1   
        183   "82     GLU  HA     3.9000  2.7300"    183   4   183   37   parsed_1ccf   1   
        184   "56     LEU  HG  "                     184   1   184   17   parsed_1ccf   1   
        185   "56     LEU  MD1    3.3900  1.8000"    185   4   185   37   parsed_1ccf   1   
        186   "56     LEU  MD2    3.8300  2.0600"    186   4   186   37   parsed_1ccf   1   
        187   "80     ASN  1HB    3.0900  2.1630"    187   4   187   37   parsed_1ccf   1   
        188   "80     ASN  2HB    2.9200  2.0440"    188   4   188   37   parsed_1ccf   1   
        189   "56     LEU  MD1 "                     189   1   189   17   parsed_1ccf   1   
        190   "57     ASN  1HD2   5.8400  3.2300"    190   4   190   37   parsed_1ccf   1   
        191   "57     ASN  2HD2   5.5500  3.0600"    191   4   191   37   parsed_1ccf   1   
        192   "80     ASN  1HB    4.9700  2.7790"    192   4   192   37   parsed_1ccf   1   
        193   "80     ASN  2HB    4.6800  2.5760"    193   4   193   37   parsed_1ccf   1   
        194   "82     GLU  HA     3.6900  1.9700"    194   4   194   37   parsed_1ccf   1   
        195   "56     LEU  MD2 "                     195   1   195   17   parsed_1ccf   1   
        196   "57     ASN  H      5.1000  2.8000"    196   4   196   37   parsed_1ccf   1   
        197   "57     ASN  H   "                     197   1   197   17   parsed_1ccf   1   
        198   "57     ASN  HA     2.4500  1.8000"    198   4   198   37   parsed_1ccf   1   
        199   "57     ASN  2HB    3.6100  2.5270"    199   4   199   37   parsed_1ccf   1   
        200   "57     ASN  2HD2   4.7100  3.2970"    200   4   200   37   parsed_1ccf   1   
        201   "58     GLN  H      3.3800  2.3660"    201   4   201   37   parsed_1ccf   1   
        202   "57     ASN  HA  "                     202   1   202   17   parsed_1ccf   1   
        203   "57     ASN  1HB    3.0900  2.1630"    203   4   203   37   parsed_1ccf   1   
        204   "57     ASN  2HB    2.7200  1.9040"    204   4   204   37   parsed_1ccf   1   
        205   "58     GLN  H      3.0700  2.1490"    205   4   205   37   parsed_1ccf   1   
        206   "58     GLN  LB     5.5000  3.2200"    206   4   206   37   parsed_1ccf   1   
        207   "57     ASN  1HB "                     207   1   207   17   parsed_1ccf   1   
        208   "57     ASN  1HD2   2.7300  1.9110"    208   4   208   37   parsed_1ccf   1   
        209   "57     ASN  2HD2   3.5000  2.4500"    209   4   209   37   parsed_1ccf   1   
        210   "76     PHE  HD2    4.1900  2.9330"    210   4   210   37   parsed_1ccf   1   
        211   "57     ASN  2HB "                     211   1   211   17   parsed_1ccf   1   
        212   "57     ASN  1HD2   3.6000  2.5200"    212   4   212   37   parsed_1ccf   1   
        213   "57     ASN  2HD2   4.1700  2.9190"    213   4   213   37   parsed_1ccf   1   
        214   "76     PHE  HD2    4.2800  2.9960"    214   4   214   37   parsed_1ccf   1   
        215   "76     PHE  HE2    3.4300  2.4010"    215   4   215   37   parsed_1ccf   1   
        216   "57     ASN  2HD2"                     216   1   216   17   parsed_1ccf   1   
        217   "82     GLU  HA     3.4900  2.4430"    217   4   217   37   parsed_1ccf   1   
        218   "58     GLN  H   "                     218   1   218   17   parsed_1ccf   1   
        219   "58     GLN  HA     2.4400  1.8000"    219   4   219   37   parsed_1ccf   1   
        220   "59     GLY  H      4.1500  2.9050"    220   4   220   37   parsed_1ccf   1   
        221   "58     GLN  HA  "                     221   1   221   17   parsed_1ccf   1   
        222   "58     GLN  LB     3.2300  1.8000"    222   4   222   37   parsed_1ccf   1   
        223   "58     GLN  LG     3.8500  2.0650"    223   4   223   37   parsed_1ccf   1   
        224   "59     GLY  H      3.5200  2.4640"    224   4   224   37   parsed_1ccf   1   
        225   "59     GLY  H   "                     225   1   225   17   parsed_1ccf   1   
        226   "59     GLY  1HA    2.8700  2.0000"    226   4   226   37   parsed_1ccf   1   
        227   "59     GLY  2HA    3.8200  2.0000"    227   4   227   37   parsed_1ccf   1   
        228   "59     GLY  1HA "                     228   1   228   17   parsed_1ccf   1   
        229   "60     HIS  H      3.4900  2.4430"    229   4   229   37   parsed_1ccf   1   
        230   "72     CYS  HA     3.5400  2.4780"    230   4   230   37   parsed_1ccf   1   
        231   "59     GLY  2HA "                     231   1   231   17   parsed_1ccf   1   
        232   "60     HIS  H      2.7900  1.9530"    232   4   232   37   parsed_1ccf   1   
        233   "72     CYS  HA     2.9100  2.0370"    233   4   233   37   parsed_1ccf   1   
        234   "73     ALA  H      3.8300  2.6810"    234   4   234   37   parsed_1ccf   1   
        235   "73     ALA  MB     4.8500  2.6950"    235   4   235   37   parsed_1ccf   1   
        236   "60     HIS  H   "                     236   1   236   17   parsed_1ccf   1   
        237   "60     HIS  1HB    3.0700  2.1490"    237   4   237   37   parsed_1ccf   1   
        238   "60     HIS  2HB    3.1800  2.2260"    238   4   238   37   parsed_1ccf   1   
        239   "71     THR  H      3.6100  2.5270"    239   4   239   37   parsed_1ccf   1   
        240   "71     THR  HB     4.1700  2.9190"    240   4   240   37   parsed_1ccf   1   
        241   "60     HIS  HA  "                     241   1   241   17   parsed_1ccf   1   
        242   "60     HIS  1HB    2.6400  1.8480"    242   4   242   37   parsed_1ccf   1   
        243   "60     HIS  2HB    2.9700  2.0790"    243   4   243   37   parsed_1ccf   1   
        244   "60     HIS  1HB "                     244   1   244   17   parsed_1ccf   1   
        245   "71     THR  HB     3.6500  2.5550"    245   4   245   37   parsed_1ccf   1   
        246   "60     HIS  2HB "                     246   1   246   17   parsed_1ccf   1   
        247   "71     THR  HB     2.8900  2.0230"    247   4   247   37   parsed_1ccf   1   
        248   "61     CYS  H   "                     248   1   248   17   parsed_1ccf   1   
        249   "61     CYS  LB     4.1800  2.2960"    249   4   249   37   parsed_1ccf   1   
        250   "61     CYS  HA  "                     250   1   250   17   parsed_1ccf   1   
        251   "70     CYS  HA     2.5500  1.8000"    251   4   251   37   parsed_1ccf   1   
        252   "62     LYS  H   "                     252   1   252   17   parsed_1ccf   1   
        253   "69     THR  H      3.6800  2.5760"    253   4   253   37   parsed_1ccf   1   
        254   "70     CYS  HA     3.5000  2.4500"    254   4   254   37   parsed_1ccf   1   
        255   "62     LYS  HA  "                     255   1   255   17   parsed_1ccf   1   
        256   "62     LYS  LB     3.2200  1.8000"    256   4   256   37   parsed_1ccf   1   
        257   "62     LYS  LD     4.0600  2.2120"    257   4   257   37   parsed_1ccf   1   
        258   "62     LYS  1HB "                     258   1   258   17   parsed_1ccf   1   
        259   "63     HYA  H      4.7300  3.1200"    259   4   259   37   parsed_1ccf   1   
        260   "62     LYS  LB  "                     260   1   260   17   parsed_1ccf   1   
        261   "62     LYS  LD     4.3300  2.4010"    261   4   261   37   parsed_1ccf   1   
        262   "69     THR  H      5.3400  3.1080"    262   4   262   37   parsed_1ccf   1   
        263   "62     LYS  2HB "                     263   1   263   17   parsed_1ccf   1   
        264   "63     HYA  H      4.7300  3.1200"    264   4   264   37   parsed_1ccf   1   
        265   "62     LYS  LD  "                     265   1   265   17   parsed_1ccf   1   
        266   "63     HYA  H      4.9200  2.8140"    266   4   266   37   parsed_1ccf   1   
        267   "63     HYA  H   "                     267   1   267   17   parsed_1ccf   1   
        268   "63     HYA  HB     3.8700  2.7090"    268   4   268   37   parsed_1ccf   1   
        269   "63     HYA  HA  "                     269   1   269   17   parsed_1ccf   1   
        270   "63     HYA  HB     2.7800  1.9460"    270   4   270   37   parsed_1ccf   1   
        271   "64     GLY  H      3.1000  2.1700"    271   4   271   37   parsed_1ccf   1   
        272   "68     TYR  HA     2.7000  1.8900"    272   4   272   37   parsed_1ccf   1   
        273   "68     TYR  1HB    3.7600  2.6320"    273   4   273   37   parsed_1ccf   1   
        274   "68     TYR  2HB    3.1500  2.2050"    274   4   274   37   parsed_1ccf   1   
        275   "63     HYA  HB  "                     275   1   275   17   parsed_1ccf   1   
        276   "64     GLY  H      4.5500  2.5000"    276   4   276   37   parsed_1ccf   1   
        277   "68     TYR  HA     4.4100  2.9500"    277   4   277   37   parsed_1ccf   1   
        278   "64     GLY  H   "                     278   1   278   17   parsed_1ccf   1   
        279   "64     GLY  1HA    3.0500  2.1350"    279   4   279   37   parsed_1ccf   1   
        280   "64     GLY  2HA    3.4300  2.4010"    280   4   280   37   parsed_1ccf   1   
        281   "67     ASP  H      5.0000  2.5000"    281   4   281   37   parsed_1ccf   1   
        282   "68     TYR  HA     3.1900  2.2330"    282   4   282   37   parsed_1ccf   1   
        283   "68     TYR  2HB    4.3600  3.0520"    283   4   283   37   parsed_1ccf   1   
        284   "64     GLY  1HA "                     284   1   284   17   parsed_1ccf   1   
        285   "65     ILE  H      2.9800  2.0860"    285   4   285   37   parsed_1ccf   1   
        286   "68     TYR  HA     4.0500  2.8350"    286   4   286   37   parsed_1ccf   1   
        287   "64     GLY  2HA "                     287   1   287   17   parsed_1ccf   1   
        288   "65     ILE  H      3.5000  2.4500"    288   4   288   37   parsed_1ccf   1   
        289   "65     ILE  H   "                     289   1   289   17   parsed_1ccf   1   
        290   "65     ILE  HB     2.8600  2.0020"    290   4   290   37   parsed_1ccf   1   
        291   "65     ILE  1HG1   3.7200  2.3200"    291   4   291   37   parsed_1ccf   1   
        292   "65     ILE  2HG1   3.7200  2.3200"    292   4   292   37   parsed_1ccf   1   
        293   "65     ILE  HA  "                     293   1   293   17   parsed_1ccf   1   
        294   "65     ILE  HB     3.1500  2.2050"    294   4   294   37   parsed_1ccf   1   
        295   "65     ILE  1HG1   3.4900  2.3200"    295   4   295   37   parsed_1ccf   1   
        296   "65     ILE  2HG1   3.4900  2.3200"    296   4   296   37   parsed_1ccf   1   
        297   "65     ILE  MG2    3.4500  1.8000"    297   4   297   37   parsed_1ccf   1   
        298   "66     GLY  H      2.8100  1.9670"    298   4   298   37   parsed_1ccf   1   
        299   "67     ASP  H      4.5500  3.1850"    299   4   299   37   parsed_1ccf   1   
        300   "65     ILE  HB  "                     300   1   300   17   parsed_1ccf   1   
        301   "65     ILE  LG1    3.7700  2.0090"    301   4   301   37   parsed_1ccf   1   
        302   "65     ILE  MG2 "                     302   1   302   17   parsed_1ccf   1   
        303   "66     GLY  H      5.0400  2.7600"    303   4   303   37   parsed_1ccf   1   
        304   "66     GLY  H   "                     304   1   304   17   parsed_1ccf   1   
        305   "66     GLY  1HA    3.5300  2.4710"    305   4   305   37   parsed_1ccf   1   
        306   "66     GLY  2HA    2.8900  2.0230"    306   4   306   37   parsed_1ccf   1   
        307   "67     ASP  H      3.8800  2.7160"    307   4   307   37   parsed_1ccf   1   
        308   "66     GLY  1HA "                     308   1   308   17   parsed_1ccf   1   
        309   "67     ASP  H      3.8700  2.7090"    309   4   309   37   parsed_1ccf   1   
        310   "66     GLY  2HA "                     310   1   310   17   parsed_1ccf   1   
        311   "67     ASP  H      3.7200  2.6040"    311   4   311   37   parsed_1ccf   1   
        312   "67     ASP  H   "                     312   1   312   17   parsed_1ccf   1   
        313   "67     ASP  1HB    3.8100  2.3600"    313   4   313   37   parsed_1ccf   1   
        314   "67     ASP  2HB    3.8100  2.3600"    314   4   314   37   parsed_1ccf   1   
        315   "67     ASP  HA  "                     315   1   315   17   parsed_1ccf   1   
        316   "68     TYR  H      3.1600  2.2120"    316   4   316   37   parsed_1ccf   1   
        317   "68     TYR  KE     5.9200  2.7440"    317   4   317   37   parsed_1ccf   1   
        318   "68     TYR  HD2    3.2000  2.2400"    318   4   318   37   parsed_1ccf   1   
        319   "67     ASP  1HB "                     319   1   319   17   parsed_1ccf   1   
        320   "68     TYR  H      3.7600  2.6320"    320   4   320   37   parsed_1ccf   1   
        321   "67     ASP  2HB "                     321   1   321   17   parsed_1ccf   1   
        322   "68     TYR  H      3.7600  2.6320"    322   4   322   37   parsed_1ccf   1   
        323   "68     TYR  H   "                     323   1   323   17   parsed_1ccf   1   
        324   "68     TYR  1HB    4.6300  3.2410"    324   4   324   37   parsed_1ccf   1   
        325   "68     TYR  2HB    3.9400  2.7580"    325   4   325   37   parsed_1ccf   1   
        326   "68     TYR  HD2    3.2600  2.2800"    326   4   326   37   parsed_1ccf   1   
        327   "68     TYR  HA  "                     327   1   327   17   parsed_1ccf   1   
        328   "68     TYR  2HB    2.6500  1.8550"    328   4   328   37   parsed_1ccf   1   
        329   "68     TYR  KD     5.3100  2.8770"    329   4   329   37   parsed_1ccf   1   
        330   "69     THR  H      2.8300  1.9810"    330   4   330   37   parsed_1ccf   1   
        331   "69     THR  MG2    6.3200  3.5100"    331   4   331   37   parsed_1ccf   1   
        332   "68     TYR  2HB "                     332   1   332   17   parsed_1ccf   1   
        333   "69     THR  H      3.9700  2.7790"    333   4   333   37   parsed_1ccf   1   
        334   "68     TYR  HD1 "                     334   1   334   17   parsed_1ccf   1   
        335   "69     THR  HA     3.8400  2.6880"    335   4   335   37   parsed_1ccf   1   
        336   "70     CYS  H      4.1000  2.8700"    336   4   336   37   parsed_1ccf   1   
        337   "70     CYS  HA     4.4200  3.0940"    337   4   337   37   parsed_1ccf   1   
        338   "68     TYR  KE  "                     338   1   338   17   parsed_1ccf   1   
        339   "69     THR  HA     5.9800  2.7860"    339   4   339   37   parsed_1ccf   1   
        340   "69     THR  H   "                     340   1   340   17   parsed_1ccf   1   
        341   "69     THR  HB     3.8900  2.7230"    341   4   341   37   parsed_1ccf   1   
        342   "69     THR  MG2    5.6100  3.0900"    342   4   342   37   parsed_1ccf   1   
        343   "70     CYS  H      4.5400  3.1780"    343   4   343   37   parsed_1ccf   1   
        344   "69     THR  HA  "                     344   1   344   17   parsed_1ccf   1   
        345   "69     THR  HB     2.8100  1.9670"    345   4   345   37   parsed_1ccf   1   
        346   "69     THR  MG2    3.6000  1.9300"    346   4   346   37   parsed_1ccf   1   
        347   "70     CYS  H      2.6500  1.8550"    347   4   347   37   parsed_1ccf   1   
        348   "70     CYS  HA     4.3700  3.0590"    348   4   348   37   parsed_1ccf   1   
        349   "69     THR  HB  "                     349   1   349   17   parsed_1ccf   1   
        350   "69     THR  MG2    3.5500  1.9000"    350   4   350   37   parsed_1ccf   1   
        351   "70     CYS  H      3.4200  2.3940"    351   4   351   37   parsed_1ccf   1   
        352   "69     THR  MG2 "                     352   1   352   17   parsed_1ccf   1   
        353   "70     CYS  H      4.9800  2.7300"    353   4   353   37   parsed_1ccf   1   
        354   "70     CYS  H   "                     354   1   354   17   parsed_1ccf   1   
        355   "70     CYS  1HB    2.9900  2.0930"    355   4   355   37   parsed_1ccf   1   
        356   "70     CYS  2HB    4.1600  2.9120"    356   4   356   37   parsed_1ccf   1   
        357   "70     CYS  HA  "                     357   1   357   17   parsed_1ccf   1   
        358   "70     CYS  1HB    2.8900  2.0230"    358   4   358   37   parsed_1ccf   1   
        359   "70     CYS  2HB    2.6500  1.8550"    359   4   359   37   parsed_1ccf   1   
        360   "71     THR  H      2.6000  1.8200"    360   4   360   37   parsed_1ccf   1   
        361   "70     CYS  2HB "                     361   1   361   17   parsed_1ccf   1   
        362   "71     THR  H      4.5700  3.1990"    362   4   362   37   parsed_1ccf   1   
        363   "71     THR  H   "                     363   1   363   17   parsed_1ccf   1   
        364   "71     THR  HB     3.4200  2.3940"    364   4   364   37   parsed_1ccf   1   
        365   "71     THR  MG2    5.8300  3.2300"    365   4   365   37   parsed_1ccf   1   
        366   "71     THR  HA  "                     366   1   366   17   parsed_1ccf   1   
        367   "71     THR  HB     2.7400  1.9180"    367   4   367   37   parsed_1ccf   1   
        368   "71     THR  MG2    3.4700  1.8500"    368   4   368   37   parsed_1ccf   1   
        369   "72     CYS  H      2.6400  1.8480"    369   4   369   37   parsed_1ccf   1   
        370   "71     THR  HB  "                     370   1   370   17   parsed_1ccf   1   
        371   "71     THR  MG2    3.2100  1.8000"    371   4   371   37   parsed_1ccf   1   
        372   "72     CYS  H      4.5100  3.1570"    372   4   372   37   parsed_1ccf   1   
        373   "71     THR  MG2 "                     373   1   373   17   parsed_1ccf   1   
        374   "72     CYS  H      4.4900  2.4400"    374   4   374   37   parsed_1ccf   1   
        375   "72     CYS  H   "                     375   1   375   17   parsed_1ccf   1   
        376   "72     CYS  1HB    2.8500  1.9950"    376   4   376   37   parsed_1ccf   1   
        377   "72     CYS  2HB    3.9000  2.7300"    377   4   377   37   parsed_1ccf   1   
        378   "72     CYS  HA  "                     378   1   378   17   parsed_1ccf   1   
        379   "72     CYS  1HB    2.9600  2.0720"    379   4   379   37   parsed_1ccf   1   
        380   "72     CYS  2HB    2.6300  1.8410"    380   4   380   37   parsed_1ccf   1   
        381   "73     ALA  H      3.5800  2.3000"    381   4   381   37   parsed_1ccf   1   
        382   "76     PHE  1HB    3.9800  2.7860"    382   4   382   37   parsed_1ccf   1   
        383   "81     CYS  2HB    3.6100  2.5270"    383   4   383   37   parsed_1ccf   1   
        384   "72     CYS  1HB "                     384   1   384   17   parsed_1ccf   1   
        385   "73     ALA  H      4.0400  2.8280"    385   4   385   37   parsed_1ccf   1   
        386   "77     GLU  HA     3.5500  2.4850"    386   4   386   37   parsed_1ccf   1   
        387   "81     CYS  HA     5.5000  3.5000"    387   4   387   37   parsed_1ccf   1   
        388   "81     CYS  2HB    5.0000  3.0000"    388   4   388   37   parsed_1ccf   1   
        389   "72     CYS  2HB "                     389   1   389   17   parsed_1ccf   1   
        390   "73     ALA  H      3.0900  2.1630"    390   4   390   37   parsed_1ccf   1   
        391   "76     PHE  1HB    2.6700  1.8690"    391   4   391   37   parsed_1ccf   1   
        392   "77     GLU  HA     3.7700  2.6390"    392   4   392   37   parsed_1ccf   1   
        393   "72     CYS  SG  "                     393   1   393   17   parsed_1ccf   1   
        394   "81     CYS  SG     2.5000  1.8000"    394   4   394   37   parsed_1ccf   1   
        395   "73     ALA  H   "                     395   1   395   17   parsed_1ccf   1   
        396   "73     ALA  MB     3.4900  1.8600"    396   4   396   37   parsed_1ccf   1   
        397   "76     PHE  1HB    4.3000  3.0100"    397   4   397   37   parsed_1ccf   1   
        398   "76     PHE  2HB    4.8100  3.3670"    398   4   398   37   parsed_1ccf   1   
        399   "76     PHE  HD1    4.2500  2.9750"    399   4   399   37   parsed_1ccf   1   
        400   "73     ALA  HA  "                     400   1   400   17   parsed_1ccf   1   
        401   "73     ALA  MB     3.0600  1.8000"    401   4   401   37   parsed_1ccf   1   
        402   "74     GLU  H      2.4300  1.8000"    402   4   402   37   parsed_1ccf   1   
        403   "73     ALA  MB  "                     403   1   403   17   parsed_1ccf   1   
        404   "74     GLU  H      3.8200  2.0500"    404   4   404   37   parsed_1ccf   1   
        405   "76     PHE  HD1    3.6000  1.9200"    405   4   405   37   parsed_1ccf   1   
        406   "76     PHE  HE1    4.7900  2.4400"    406   4   406   37   parsed_1ccf   1   
        407   "74     GLU  H   "                     407   1   407   17   parsed_1ccf   1   
        408   "74     GLU  1HB    2.8800  1.9200"    408   4   408   37   parsed_1ccf   1   
        409   "74     GLU  2HB    2.8800  1.9200"    409   4   409   37   parsed_1ccf   1   
        410   "74     GLU  LG     4.4900  2.5130"    410   4   410   37   parsed_1ccf   1   
        411   "74     GLU  HA  "                     411   1   411   17   parsed_1ccf   1   
        412   "74     GLU  1HB    3.0800  1.8700"    412   4   412   37   parsed_1ccf   1   
        413   "74     GLU  2HB    3.0800  1.8700"    413   4   413   37   parsed_1ccf   1   
        414   "74     GLU  LG     4.0300  2.1910"    414   4   414   37   parsed_1ccf   1   
        415   "75     GLY  H      2.3300  1.8000"    415   4   415   37   parsed_1ccf   1   
        416   "76     PHE  H      3.9500  2.7650"    416   4   416   37   parsed_1ccf   1   
        417   "74     GLU  LB  "                     417   1   417   17   parsed_1ccf   1   
        418   "75     GLY  H      5.4000  3.1500"    418   4   418   37   parsed_1ccf   1   
        419   "74     GLU  LG  "                     419   1   419   17   parsed_1ccf   1   
        420   "75     GLY  H      4.9400  2.8280"    420   4   420   37   parsed_1ccf   1   
        421   "75     GLY  H   "                     421   1   421   17   parsed_1ccf   1   
        422   "75     GLY  1HA    2.9000  2.0300"    422   4   422   37   parsed_1ccf   1   
        423   "75     GLY  2HA    2.7400  1.9180"    423   4   423   37   parsed_1ccf   1   
        424   "76     PHE  H      3.2700  2.2890"    424   4   424   37   parsed_1ccf   1   
        425   "75     GLY  1HA "                     425   1   425   17   parsed_1ccf   1   
        426   "76     PHE  HA     5.5000  3.3000"    426   4   426   37   parsed_1ccf   1   
        427   "76     PHE  HD1    3.7100  2.5970"    427   4   427   37   parsed_1ccf   1   
        428   "75     GLY  2HA "                     428   1   428   17   parsed_1ccf   1   
        429   "76     PHE  H      3.6500  2.5550"    429   4   429   37   parsed_1ccf   1   
        430   "85     THR  H      5.0000  3.0000"    430   4   430   37   parsed_1ccf   1   
        431   "76     PHE  H   "                     431   1   431   17   parsed_1ccf   1   
        432   "76     PHE  1HB    3.0100  2.1070"    432   4   432   37   parsed_1ccf   1   
        433   "76     PHE  2HB    3.6200  2.5340"    433   4   433   37   parsed_1ccf   1   
        434   "76     PHE  HD1    3.7400  2.6180"    434   4   434   37   parsed_1ccf   1   
        435   "76     PHE  HA  "                     435   1   435   17   parsed_1ccf   1   
        436   "76     PHE  1HB    2.8400  1.9880"    436   4   436   37   parsed_1ccf   1   
        437   "76     PHE  2HB    2.5500  1.8000"    437   4   437   37   parsed_1ccf   1   
        438   "76     PHE  KD     4.8800  2.5760"    438   4   438   37   parsed_1ccf   1   
        439   "77     GLU  H      2.6500  1.8550"    439   4   439   37   parsed_1ccf   1   
        440   "84     SER  HA     2.5100  1.8000"    440   4   440   37   parsed_1ccf   1   
        441   "84     SER  LB     5.0200  2.8840"    441   4   441   37   parsed_1ccf   1   
        442   "85     THR  H      3.5800  2.5060"    442   4   442   37   parsed_1ccf   1   
        443   "85     THR  MG2    4.4200  2.4000"    443   4   443   37   parsed_1ccf   1   
        444   "76     PHE  1HB "                     444   1   444   17   parsed_1ccf   1   
        445   "77     GLU  H      3.8900  2.7230"    445   4   445   37   parsed_1ccf   1   
        446   "76     PHE  2HB "                     446   1   446   17   parsed_1ccf   1   
        447   "77     GLU  H      3.2600  2.2820"    447   4   447   37   parsed_1ccf   1   
        448   "77     GLU  HA     4.2200  2.9540"    448   4   448   37   parsed_1ccf   1   
        449   "76     PHE  HD1 "                     449   1   449   17   parsed_1ccf   1   
        450   "77     GLU  H      4.2400  2.9680"    450   4   450   37   parsed_1ccf   1   
        451   "84     SER  HA     2.9000  2.0300"    451   4   451   37   parsed_1ccf   1   
        452   "84     SER  LB     4.3300  2.4010"    452   4   452   37   parsed_1ccf   1   
        453   "76     PHE  HE1 "                     453   1   453   17   parsed_1ccf   1   
        454   "84     SER  LB     4.1700  2.2890"    454   4   454   37   parsed_1ccf   1   
        455   "76     PHE  KE  "                     455   1   455   17   parsed_1ccf   1   
        456   "84     SER  HA     5.8400  2.6880"    456   4   456   37   parsed_1ccf   1   
        457   "77     GLU  H   "                     457   1   457   17   parsed_1ccf   1   
        458   "77     GLU  1HB    3.7300  2.2300"    458   4   458   37   parsed_1ccf   1   
        459   "77     GLU  2HB    3.7300  2.2300"    459   4   459   37   parsed_1ccf   1   
        460   "81     CYS  HA     3.2000  2.2400"    460   4   460   37   parsed_1ccf   1   
        461   "83     PHE  H      3.6300  2.5410"    461   4   461   37   parsed_1ccf   1   
        462   "83     PHE  1HB    4.3900  3.0730"    462   4   462   37   parsed_1ccf   1   
        463   "83     PHE  2HB    4.6000  3.2200"    463   4   463   37   parsed_1ccf   1   
        464   "85     THR  H      4.5200  3.1640"    464   4   464   37   parsed_1ccf   1   
        465   "85     THR  MG2    5.5000  3.0300"    465   4   465   37   parsed_1ccf   1   
        466   "77     GLU  HA  "                     466   1   466   17   parsed_1ccf   1   
        467   "77     GLU  LB     3.3200  1.8000"    467   4   467   37   parsed_1ccf   1   
        468   "78     GLY  H      3.5600  2.2000"    468   4   468   37   parsed_1ccf   1   
        469   "81     CYS  HA     3.6100  2.5270"    469   4   469   37   parsed_1ccf   1   
        470   "85     THR  MG2    5.8600  3.2400"    470   4   470   37   parsed_1ccf   1   
        471   "78     GLY  H   "                     471   1   471   17   parsed_1ccf   1   
        472   "78     GLY  1HA    3.4500  2.4150"    472   4   472   37   parsed_1ccf   1   
        473   "78     GLY  2HA    2.8300  1.9810"    473   4   473   37   parsed_1ccf   1   
        474   "79     LYS  H      4.9400  3.4580"    474   4   474   37   parsed_1ccf   1   
        475   "78     GLY  1HA "                     475   1   475   17   parsed_1ccf   1   
        476   "83     PHE  HD2    2.9400  2.0580"    476   4   476   37   parsed_1ccf   1   
        477   "83     PHE  HE2    4.6200  3.2340"    477   4   477   37   parsed_1ccf   1   
        478   "78     GLY  2HA "                     478   1   478   17   parsed_1ccf   1   
        479   "83     PHE  HD2    3.5600  2.4920"    479   4   479   37   parsed_1ccf   1   
        480   "83     PHE  HE2    4.3900  3.0730"    480   4   480   37   parsed_1ccf   1   
        481   "79     LYS  H   "                     481   1   481   17   parsed_1ccf   1   
        482   "79     LYS  HA     2.5700  1.8000"    482   4   482   37   parsed_1ccf   1   
        483   "79     LYS  1HB    2.7900  1.9530"    483   4   483   37   parsed_1ccf   1   
        484   "80     ASN  H      4.0600  2.8420"    484   4   484   37   parsed_1ccf   1   
        485   "79     LYS  HA  "                     485   1   485   17   parsed_1ccf   1   
        486   "79     LYS  1HB    2.6000  1.8200"    486   4   486   37   parsed_1ccf   1   
        487   "79     LYS  2HB    3.0200  2.1140"    487   4   487   37   parsed_1ccf   1   
        488   "79     LYS  LG     3.6700  1.9390"    488   4   488   37   parsed_1ccf   1   
        489   "80     ASN  H      3.6100  2.5270"    489   4   489   37   parsed_1ccf   1   
        490   "79     LYS  1HB "                     490   1   490   17   parsed_1ccf   1   
        491   "79     LYS  LG     3.4100  1.8000"    491   4   491   37   parsed_1ccf   1   
        492   "80     ASN  H      4.4200  3.0940"    492   4   492   37   parsed_1ccf   1   
        493   "79     LYS  2HB "                     493   1   493   17   parsed_1ccf   1   
        494   "79     LYS  LG     3.2700  1.8000"    494   4   494   37   parsed_1ccf   1   
        495   "80     ASN  H      3.3600  2.3520"    495   4   495   37   parsed_1ccf   1   
        496   "81     CYS  H      4.3600  3.0520"    496   4   496   37   parsed_1ccf   1   
        497   "79     LYS  LG  "                     497   1   497   17   parsed_1ccf   1   
        498   "79     LYS  HE1    4.2600  2.1600"    498   4   498   37   parsed_1ccf   1   
        499   "79     LYS  HE2    4.2600  2.1600"    499   4   499   37   parsed_1ccf   1   
        500   "80     ASN  H      5.3700  3.1290"    500   4   500   37   parsed_1ccf   1   
        501   "80     ASN  H   "                     501   1   501   17   parsed_1ccf   1   
        502   "80     ASN  1HB    3.0400  2.1280"    502   4   502   37   parsed_1ccf   1   
        503   "80     ASN  2HB    4.1200  2.8840"    503   4   503   37   parsed_1ccf   1   
        504   "80     ASN  1HD2   4.9300  3.4510"    504   4   504   37   parsed_1ccf   1   
        505   "81     CYS  H      2.9700  2.0790"    505   4   505   37   parsed_1ccf   1   
        506   "82     GLU  H      3.7100  2.5970"    506   4   506   37   parsed_1ccf   1   
        507   "80     ASN  HA  "                     507   1   507   17   parsed_1ccf   1   
        508   "80     ASN  1HB    2.7800  1.9460"    508   4   508   37   parsed_1ccf   1   
        509   "80     ASN  2HB    2.6400  1.8480"    509   4   509   37   parsed_1ccf   1   
        510   "80     ASN  1HD2   4.4100  3.0870"    510   4   510   37   parsed_1ccf   1   
        511   "80     ASN  2HD2   5.1200  3.5840"    511   4   511   37   parsed_1ccf   1   
        512   "81     CYS  H      3.5400  2.4780"    512   4   512   37   parsed_1ccf   1   
        513   "80     ASN  1HB "                     513   1   513   17   parsed_1ccf   1   
        514   "80     ASN  1HD2   3.0700  2.1490"    514   4   514   37   parsed_1ccf   1   
        515   "80     ASN  2HD2   3.6300  2.5410"    515   4   515   37   parsed_1ccf   1   
        516   "81     CYS  H      4.7100  3.2970"    516   4   516   37   parsed_1ccf   1   
        517   "80     ASN  2HB "                     517   1   517   17   parsed_1ccf   1   
        518   "80     ASN  1HD2   3.8300  2.6810"    518   4   518   37   parsed_1ccf   1   
        519   "80     ASN  2HD2   4.1700  2.9190"    519   4   519   37   parsed_1ccf   1   
        520   "81     CYS  H   "                     520   1   520   17   parsed_1ccf   1   
        521   "81     CYS  HA     2.3700  1.8000"    521   4   521   37   parsed_1ccf   1   
        522   "81     CYS  1HB    4.0200  2.8140"    522   4   522   37   parsed_1ccf   1   
        523   "81     CYS  2HB    4.5900  3.2130"    523   4   523   37   parsed_1ccf   1   
        524   "82     GLU  H      3.4200  2.3940"    524   4   524   37   parsed_1ccf   1   
        525   "81     CYS  HA  "                     525   1   525   17   parsed_1ccf   1   
        526   "81     CYS  2HB    2.6000  1.8200"    526   4   526   37   parsed_1ccf   1   
        527   "82     GLU  H   "                     527   1   527   17   parsed_1ccf   1   
        528   "82     GLU  1HB    4.1100  2.4700"    528   4   528   37   parsed_1ccf   1   
        529   "82     GLU  2HB    4.1100  2.4700"    529   4   529   37   parsed_1ccf   1   
        530   "82     GLU  LG     5.4800  3.2060"    530   4   530   37   parsed_1ccf   1   
        531   "83     PHE  H      3.4100  2.3870"    531   4   531   37   parsed_1ccf   1   
        532   "82     GLU  HA  "                     532   1   532   17   parsed_1ccf   1   
        533   "82     GLU  LB     3.5700  1.8690"    533   4   533   37   parsed_1ccf   1   
        534   "82     GLU  LG     4.6500  2.6250"    534   4   534   37   parsed_1ccf   1   
        535   "82     GLU  LB  "                     535   1   535   17   parsed_1ccf   1   
        536   "82     GLU  LG     3.8200  2.0440"    536   4   536   37   parsed_1ccf   1   
        537   "83     PHE  KD     7.5900  3.2830"    537   4   537   37   parsed_1ccf   1   
        538   "83     PHE  KE     6.9600  2.8420"    538   4   538   37   parsed_1ccf   1   
        539   "82     GLU  LG  "                     539   1   539   17   parsed_1ccf   1   
        540   "83     PHE  KD     6.8200  2.7440"    540   4   540   37   parsed_1ccf   1   
        541   "83     PHE  H   "                     541   1   541   17   parsed_1ccf   1   
        542   "83     PHE  1HB    3.2100  2.2470"    542   4   542   37   parsed_1ccf   1   
        543   "83     PHE  2HB    3.8500  2.6950"    543   4   543   37   parsed_1ccf   1   
        544   "83     PHE  KD     5.8100  2.6600"    544   4   544   37   parsed_1ccf   1   
        545   "83     PHE  HA  "                     545   1   545   17   parsed_1ccf   1   
        546   "83     PHE  1HB    2.9500  2.0650"    546   4   546   37   parsed_1ccf   1   
        547   "83     PHE  2HB    2.6600  1.8620"    547   4   547   37   parsed_1ccf   1   
        548   "83     PHE  HD1    2.9400  2.0580"    548   4   548   37   parsed_1ccf   1   
        549   "83     PHE  KE     5.6000  3.0800"    549   4   549   37   parsed_1ccf   1   
        550   "84     SER  H      2.5300  1.8000"    550   4   550   37   parsed_1ccf   1   
        551   "83     PHE  1HB "                     551   1   551   17   parsed_1ccf   1   
        552   "84     SER  H      4.4600  3.1220"    552   4   552   37   parsed_1ccf   1   
        553   "83     PHE  2HB "                     553   1   553   17   parsed_1ccf   1   
        554   "84     SER  H      3.5600  2.4920"    554   4   554   37   parsed_1ccf   1   
        555   "83     PHE  HD2 "                     555   1   555   17   parsed_1ccf   1   
        556   "84     SER  H      4.1400  2.8980"    556   4   556   37   parsed_1ccf   1   
        557   "84     SER  H   "                     557   1   557   17   parsed_1ccf   1   
        558   "84     SER  LB     3.7400  1.9880"    558   4   558   37   parsed_1ccf   1   
        559   "84     SER  HA  "                     559   1   559   17   parsed_1ccf   1   
        560   "84     SER  LB     3.6200  1.9040"    560   4   560   37   parsed_1ccf   1   
        561   "84     SER  LB  "                     561   1   561   17   parsed_1ccf   1   
        562   "85     THR  H      4.9500  2.8350"    562   4   562   37   parsed_1ccf   1   
        563   "86     ARG  H      5.4100  3.1570"    563   4   563   37   parsed_1ccf   1   
        564   "85     THR  H   "                     564   1   564   17   parsed_1ccf   1   
        565   "85     THR  HA     3.2300  2.2610"    565   4   565   37   parsed_1ccf   1   
        566   "85     THR  MG2    4.6000  2.5100"    566   4   566   37   parsed_1ccf   1   
        567   "86     ARG  H      3.1500  2.2050"    567   4   567   37   parsed_1ccf   1   
        568   "85     THR  HA  "                     568   1   568   17   parsed_1ccf   1   
        569   "85     THR  MG2    3.5700  1.9000"    569   4   569   37   parsed_1ccf   1   
        570   "86     ARG  H      3.0100  2.1070"    570   4   570   37   parsed_1ccf   1   
        571   "85     THR  HB  "                     571   1   571   17   parsed_1ccf   1   
        572   "85     THR  MG2    3.3900  1.8000"    572   4   572   37   parsed_1ccf   1   
        573   "85     THR  MG2 "                     573   1   573   17   parsed_1ccf   1   
        574   "86     ARG  H      5.7600  3.1800"    574   4   574   37   parsed_1ccf   1   
        575   "86     ARG  H   "                     575   1   575   17   parsed_1ccf   1   
        576   "86     ARG  1HB    3.7300  2.2500"    576   4   576   37   parsed_1ccf   1   
        577   "86     ARG  2HB    3.7300  2.2500"    577   4   577   37   parsed_1ccf   1   
        578   "86     ARG  LG     5.2600  3.0520"    578   4   578   37   parsed_1ccf   1   
    stop_

save_





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