NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
632886 6e5c 30495 cing 1-original 1 STAR chemical shift


# Restraints file 1: 3NIK__ac18evG.str
data_nef_csrosetta_test_1

#######################
#  Entry information  #
#######################

save_nef_nmr_meta_data
   _Entry.Sf_category                 entry_information
   _Entry.Sf_framecode                nef_nmr_meta_data
   _Entry.NMR_STAR_version            3.2.0.4
   _Entry.Source_data_format          nmr_exchange_format
   _Entry.Source_data_format_version  1.1
   _Entry.Generated_software_name     CS-Rosetta
   _Entry.Generated_software_version  3.4
   _Entry.Generated_date              2018-06-26
   _Entry.UUID                        CS-Rosetta_Tue_Jun_26_16:55:22_PDT_427a88c0-39c0-472b-899c-e9b719a58977
save_

#############################################
#  Molecular system (assembly) description  #
#############################################

save_nef_molecular_system
   _Assembly.Sf_category   assembly
   _Assembly.Sf_framecode  nef_molecular_system

   loop_
      _Chem_comp_assembly.Entity_assembly_ID
      _Chem_comp_assembly.Comp_index_ID
      _Chem_comp_assembly.Comp_ID
      _Chem_comp_assembly.Auth_asym_ID
      _Chem_comp_assembly.Auth_seq_ID
      _Chem_comp_assembly.Auth_comp_ID
      _Chem_comp_assembly.Auth_variant_ID
      _Chem_comp_assembly.Sequence_linking
      _Chem_comp_assembly.NEF_index

     1   1    THR   A   1    THR   .   start    1
     1   2    ARG   A   2    ARG   .   middle   2
     1   3    GLU   A   3    GLU   .   middle   3
     1   4    THR   A   4    THR   .   middle   4
     1   5    LYS   A   5    LYS   .   middle   5
     1   6    VAL   A   6    VAL   .   middle   6
     1   7    THR   A   7    THR   .   middle   7
     1   8    VAL   A   8    VAL   .   middle   8
     1   9    ASN   A   9    ASN   .   middle   9
     1   10   PRO   A   10   PRO   .   middle   10
     1   11   GLY   A   11   GLY   .   middle   11
     1   12   GLU   A   12   GLU   .   middle   12
     1   13   GLU   A   13   GLU   .   middle   13
     1   14   TYR   A   14   TYR   .   middle   14
     1   15   GLU   A   15   GLU   .   middle   15
     1   16   VAL   A   16   VAL   .   middle   16
     1   17   LYS   A   17   LYS   .   middle   17
     1   18   VAL   A   18   VAL   .   middle   18
     1   19   ASN   A   19   ASN   .   middle   19
     1   20   PRO   A   20   PRO   .   middle   20
     1   21   GLY   A   21   GLY   .   middle   21
     1   22   THR   A   22   THR   .   middle   22
     1   23   ARG   A   23   ARG   .   middle   23
     1   24   VAL   A   24   VAL   .   middle   24
     1   25   GLU   A   25   GLU   .   middle   25
     1   26   ILE   A   26   ILE   .   middle   26
     1   27   GLN   A   27   GLN   .   middle   27
     1   28   ALA   A   28   ALA   .   middle   28
     1   29   LYS   A   29   LYS   .   middle   29
     1   30   GLY   A   30   GLY   .   middle   30
     1   31   PRO   A   31   PRO   .   middle   31
     1   32   ALA   A   32   ALA   .   middle   32
     1   33   GLU   A   33   GLU   .   middle   33
     1   34   PHE   A   34   PHE   .   middle   34
     1   35   GLU   A   35   GLU   .   middle   35
     1   36   GLY   A   36   GLY   .   middle   36
     1   37   GLY   A   37   GLY   .   middle   37
     1   38   GLY   A   38   GLY   .   middle   38
     1   39   THR   A   39   THR   .   middle   39
     1   40   ARG   A   40   ARG   .   middle   40
     1   41   THR   A   41   THR   .   middle   41
     1   42   ARG   A   42   ARG   .   middle   42
     1   43   LEU   A   43   LEU   .   middle   43
     1   44   ASN   A   44   ASN   .   middle   44
     1   45   PRO   A   45   PRO   .   middle   45
     1   46   GLY   A   46   GLY   .   middle   46
     1   47   GLU   A   47   GLU   .   middle   47
     1   48   SER   A   48   SER   .   middle   48
     1   49   TYR   A   49   TYR   .   middle   49
     1   50   LYS   A   50   LYS   .   middle   50
     1   51   PHE   A   51   PHE   .   middle   51
     1   52   GLU   A   52   GLU   .   middle   52
     1   53   ASN   A   53   ASN   .   middle   53
     1   54   LEU   A   54   LEU   .   middle   54
     1   55   THR   A   55   THR   .   middle   55
     1   56   SER   A   56   SER   .   middle   56
     1   57   GLN   A   57   GLN   .   middle   57
     1   58   PRO   A   58   PRO   .   middle   58
     1   59   LEU   A   59   LEU   .   middle   59
     1   60   ARG   A   60   ARG   .   middle   60
     1   61   ILE   A   61   ILE   .   middle   61
     1   62   ARG   A   62   ARG   .   middle   62
     1   63   LEU   A   63   LEU   .   middle   63
     1   64   ARG   A   64   ARG   .   middle   64
     1   65   ASN   A   65   ASN   .   middle   65
     1   66   LEU   A   66   LEU   .   middle   66
     1   67   SER   A   67   SER   .   middle   67
     1   68   ASP   A   68   ASP   .   middle   68
     1   69   THR   A   69   THR   .   middle   69
     1   70   PRO   A   70   PRO   .   middle   70
     1   71   ILE   A   71   ILE   .   middle   71
     1   72   GLU   A   72   GLU   .   middle   72
     1   73   PHE   A   73   PHE   .   middle   73
     1   74   ARG   A   74   ARG   .   middle   74
     1   75   ILE   A   75   ILE   .   middle   75
     1   76   ARG   A   76   ARG   .   middle   76
     1   77   GLU   A   77   GLU   .   middle   77
     1   78   GLU   A   78   GLU   .   end      78
   stop_
save_

     ###################################
     #  Assigned chemical shift lists  #
     ###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################

save_nef_chemical_shift_list_1
   _Assigned_chem_shift_list.Sf_category   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode  nef_chemical_shift_list_1

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1     1     1     THR   CA    62.260   0.200 1     A     1     THR   CA    1
      2     1     1     THR   CB    70.239   0.039 1     A     1     THR   CB    1
      3     1     1     THR   CG2   21.833   0.038 1     A     1     THR   CG2   1
      4     1     1     THR   HA    4.587    0.020 1     A     1     THR   HA    1
      5     1     1     THR   HB    4.099    0.020 1     A     1     THR   HB    1
      6     1     1     THR   HG21  1.171    0.020 1     A     1     THR   HG21  1
      7     1     1     THR   HG22  1.171    0.020 1     A     1     THR   HG22  1
      8     1     1     THR   HG23  1.171    0.020 1     A     1     THR   HG23  1
      9     1     2     ARG   CB    32.622   0.060 1     A     2     ARG   CB    1
      10    1     2     ARG   H     8.589    0.006 1     A     2     ARG   H     1
      11    1     2     ARG   HB2   1.900    0.020 1     A     2     ARG   HB2   1
      12    1     2     ARG   HB3   1.786    0.020 1     A     2     ARG   HB3   1
      13    1     2     ARG   N     124.335  0.014 1     A     2     ARG   N     1
      14    1     4     THR   CB    3.970    0.200 1     A     4     THR   CB    1
      15    1     4     THR   CG2   21.238   0.056 1     A     4     THR   CG2   1
      16    1     4     THR   HB    71.587   0.020 1     A     4     THR   HB    1
      17    1     4     THR   HG21  1.168    0.003 1     A     4     THR   HG21  1
      18    1     4     THR   HG22  1.168    0.003 1     A     4     THR   HG22  1
      19    1     4     THR   HG23  1.168    0.003 1     A     4     THR   HG23  1
      20    1     5     LYS   CA    55.176   0.071 1     A     5     LYS   CA    1
      21    1     5     LYS   CB    34.637   0.038 1     A     5     LYS   CB    1
      22    1     5     LYS   CD    29.358   0.200 1     A     5     LYS   CD    1
      23    1     5     LYS   CG    25.114   0.056 1     A     5     LYS   CG    1
      24    1     5     LYS   HA    5.415    0.020 1     A     5     LYS   HA    1
      25    1     5     LYS   HG2   1.352    0.020 1     A     5     LYS   HG2   1
      26    1     5     LYS   HG3   1.218    0.020 1     A     5     LYS   HG3   1
      27    1     5     LYS   HB2   1.655    0.020 1     A     5     LYS   HB2   1
      28    1     5     LYS   HB3   1.655    0.020 1     A     5     LYS   HB3   1
      29    1     5     LYS   HD2   1.584    0.020 1     A     5     LYS   HD2   1
      30    1     5     LYS   HD3   1.584    0.020 1     A     5     LYS   HD3   1
      31    1     6     VAL   CA    59.880   0.023 1     A     6     VAL   CA    1
      32    1     6     VAL   CB    35.489   0.033 1     A     6     VAL   CB    1
      33    1     6     VAL   CG1   19.735   0.053 1     A     6     VAL   CG1   1
      34    1     6     VAL   CG2   19.645   0.048 1     A     6     VAL   CG2   1
      35    1     6     VAL   H     8.625    0.006 1     A     6     VAL   H     1
      36    1     6     VAL   HA    4.492    0.003 1     A     6     VAL   HA    1
      37    1     6     VAL   HB    1.512    0.003 1     A     6     VAL   HB    1
      38    1     6     VAL   N     121.073  0.028 1     A     6     VAL   N     1
      39    1     6     VAL   HG11  0.257    0.008 1     A     6     VAL   HG11  1
      40    1     6     VAL   HG12  0.257    0.008 1     A     6     VAL   HG12  1
      41    1     6     VAL   HG13  0.257    0.008 1     A     6     VAL   HG13  1
      42    1     6     VAL   HG21  0.335    0.005 1     A     6     VAL   HG21  1
      43    1     6     VAL   HG22  0.335    0.005 1     A     6     VAL   HG22  1
      44    1     6     VAL   HG23  0.335    0.005 1     A     6     VAL   HG23  1
      45    1     7     THR   CA    58.195   41.005 1     A     7     THR   CA    1
      46    1     7     THR   CB    69.529   0.042 1     A     7     THR   CB    1
      47    1     7     THR   CG2   21.907   0.048 1     A     7     THR   CG2   1
      48    1     7     THR   H     8.459    0.003 1     A     7     THR   H     1
      49    1     7     THR   HA    4.976    0.001 1     A     7     THR   HA    1
      50    1     7     THR   HB    3.852    0.004 1     A     7     THR   HB    1
      51    1     7     THR   N     122.614  0.013 1     A     7     THR   N     1
      52    1     7     THR   HG21  0.927    0.003 1     A     7     THR   HG21  1
      53    1     7     THR   HG22  0.927    0.003 1     A     7     THR   HG22  1
      54    1     7     THR   HG23  0.927    0.003 1     A     7     THR   HG23  1
      55    1     8     VAL   CA    60.824   0.041 1     A     8     VAL   CA    1
      56    1     8     VAL   CB    35.172   0.107 1     A     8     VAL   CB    1
      57    1     8     VAL   CG1   22.851   0.087 1     A     8     VAL   CG1   1
      58    1     8     VAL   CG2   21.735   0.055 1     A     8     VAL   CG2   1
      59    1     8     VAL   H     8.822    0.002 1     A     8     VAL   H     1
      60    1     8     VAL   HA    4.293    0.001 1     A     8     VAL   HA    1
      61    1     8     VAL   HB    1.861    0.020 1     A     8     VAL   HB    1
      62    1     8     VAL   N     127.228  0.008 1     A     8     VAL   N     1
      63    1     8     VAL   HG11  0.681    0.001 1     A     8     VAL   HG11  1
      64    1     8     VAL   HG12  0.681    0.001 1     A     8     VAL   HG12  1
      65    1     8     VAL   HG13  0.681    0.001 1     A     8     VAL   HG13  1
      66    1     8     VAL   HG21  1.022    0.008 1     A     8     VAL   HG21  1
      67    1     8     VAL   HG22  1.022    0.008 1     A     8     VAL   HG22  1
      68    1     8     VAL   HG23  1.022    0.008 1     A     8     VAL   HG23  1
      69    1     9     ASN   CA    52.977   0.200 1     A     9     ASN   CA    1
      70    1     9     ASN   CB    36.630   0.038 1     A     9     ASN   CB    1
      71    1     9     ASN   H     9.254    0.001 1     A     9     ASN   H     1
      72    1     9     ASN   HA    4.636    0.020 1     A     9     ASN   HA    1
      73    1     9     ASN   HB2   2.828    0.020 1     A     9     ASN   HB2   1
      74    1     9     ASN   HB3   2.581    0.020 1     A     9     ASN   HB3   1
      75    1     9     ASN   HD21  7.567    0.001 1     A     9     ASN   HD21  1
      76    1     9     ASN   HD22  6.792    0.020 1     A     9     ASN   HD22  1
      77    1     9     ASN   N     129.098  0.014 1     A     9     ASN   N     1
      78    1     9     ASN   ND2   111.866  0.013 1     A     9     ASN   ND2   1
      79    1     10    PRO   CA    64.873   0.062 1     A     10    PRO   CA    1
      80    1     10    PRO   CB    31.790   0.044 1     A     10    PRO   CB    1
      81    1     10    PRO   CD    50.416   0.037 1     A     10    PRO   CD    1
      82    1     10    PRO   CG    27.461   0.055 1     A     10    PRO   CG    1
      83    1     10    PRO   HA    4.000    0.020 1     A     10    PRO   HA    1
      84    1     10    PRO   HB2   2.291    0.020 1     A     10    PRO   HB2   1
      85    1     10    PRO   HB3   1.807    0.020 1     A     10    PRO   HB3   1
      86    1     10    PRO   HD2   3.565    0.020 1     A     10    PRO   HD2   1
      87    1     10    PRO   HD3   3.069    0.012 1     A     10    PRO   HD3   1
      88    1     10    PRO   HG2   1.941    0.020 1     A     10    PRO   HG2   1
      89    1     10    PRO   HG3   1.376    0.004 1     A     10    PRO   HG3   1
      90    1     11    GLY   CA    46.109   0.032 1     A     11    GLY   CA    1
      91    1     11    GLY   H     8.347    0.002 1     A     11    GLY   H     1
      92    1     11    GLY   HA2   4.103    0.020 1     A     11    GLY   HA2   1
      93    1     11    GLY   HA3   3.804    0.020 1     A     11    GLY   HA3   1
      94    1     11    GLY   N     112.666  0.013 1     A     11    GLY   N     1
      95    1     12    GLU   CA    55.560   0.200 1     A     12    GLU   CA    1
      96    1     12    GLU   CB    31.453   0.006 1     A     12    GLU   CB    1
      97    1     12    GLU   CG    37.040   0.005 1     A     12    GLU   CG    1
      98    1     12    GLU   H     7.747    0.001 1     A     12    GLU   H     1
      99    1     12    GLU   HA    4.558    0.020 1     A     12    GLU   HA    1
      100   1     12    GLU   HB2   2.226    0.002 1     A     12    GLU   HB2   1
      101   1     12    GLU   HB3   2.016    0.002 1     A     12    GLU   HB3   1
      102   1     12    GLU   N     119.737  0.012 1     A     12    GLU   N     1
      103   1     12    GLU   HG2   2.205    0.001 1     A     12    GLU   HG2   1
      104   1     12    GLU   HG3   2.205    0.001 1     A     12    GLU   HG3   1
      105   1     13    GLU   CA    53.973   0.200 1     A     13    GLU   CA    1
      106   1     13    GLU   CB    33.923   0.200 1     A     13    GLU   CB    1
      107   1     13    GLU   CG    36.293   0.200 1     A     13    GLU   CG    1
      108   1     13    GLU   H     8.159    0.001 1     A     13    GLU   H     1
      109   1     13    GLU   HA    5.413    0.020 1     A     13    GLU   HA    1
      110   1     13    GLU   N     116.955  0.008 1     A     13    GLU   N     1
      111   1     13    GLU   HB2   1.758    0.020 1     A     13    GLU   HB2   1
      112   1     13    GLU   HB3   1.758    0.020 1     A     13    GLU   HB3   1
      113   1     13    GLU   HG2   2.035    0.020 1     A     13    GLU   HG2   1
      114   1     13    GLU   HG3   2.035    0.020 1     A     13    GLU   HG3   1
      115   1     14    TYR   CA    57.405   0.200 1     A     14    TYR   CA    1
      116   1     14    TYR   CB    42.965   0.011 1     A     14    TYR   CB    1
      117   1     14    TYR   H     8.812    0.003 1     A     14    TYR   H     1
      118   1     14    TYR   HA    4.635    0.020 1     A     14    TYR   HA    1
      119   1     14    TYR   HB2   2.778    0.020 1     A     14    TYR   HB2   1
      120   1     14    TYR   HB3   2.340    0.020 1     A     14    TYR   HB3   1
      121   1     14    TYR   N     124.087  0.029 1     A     14    TYR   N     1
      122   1     15    GLU   CA    54.741   0.200 1     A     15    GLU   CA    1
      123   1     15    GLU   CB    32.786   0.200 1     A     15    GLU   CB    1
      124   1     15    GLU   CG    37.572   0.074 1     A     15    GLU   CG    1
      125   1     15    GLU   H     7.617    0.002 1     A     15    GLU   H     1
      126   1     15    GLU   HA    5.028    0.020 1     A     15    GLU   HA    1
      127   1     15    GLU   HG2   1.945    0.020 1     A     15    GLU   HG2   1
      128   1     15    GLU   HG3   1.711    0.020 1     A     15    GLU   HG3   1
      129   1     15    GLU   N     127.359  0.024 1     A     15    GLU   N     1
      130   1     15    GLU   HB2   1.654    0.020 1     A     15    GLU   HB2   1
      131   1     15    GLU   HB3   1.654    0.020 1     A     15    GLU   HB3   1
      132   1     16    VAL   CA    60.455   0.030 1     A     16    VAL   CA    1
      133   1     16    VAL   CB    34.768   0.120 1     A     16    VAL   CB    1
      134   1     16    VAL   CG1   21.624   0.047 1     A     16    VAL   CG1   1
      135   1     16    VAL   CG2   20.797   0.046 1     A     16    VAL   CG2   1
      136   1     16    VAL   H     8.661    0.002 1     A     16    VAL   H     1
      137   1     16    VAL   HA    4.098    0.020 1     A     16    VAL   HA    1
      138   1     16    VAL   HB    1.754    0.005 1     A     16    VAL   HB    1
      139   1     16    VAL   N     123.889  0.021 1     A     16    VAL   N     1
      140   1     16    VAL   HG11  0.868    0.003 1     A     16    VAL   HG11  1
      141   1     16    VAL   HG12  0.868    0.003 1     A     16    VAL   HG12  1
      142   1     16    VAL   HG13  0.868    0.003 1     A     16    VAL   HG13  1
      143   1     16    VAL   HG21  0.778    0.001 1     A     16    VAL   HG21  1
      144   1     16    VAL   HG22  0.778    0.001 1     A     16    VAL   HG22  1
      145   1     16    VAL   HG23  0.778    0.001 1     A     16    VAL   HG23  1
      146   1     17    LYS   CA    55.752   0.057 1     A     17    LYS   CA    1
      147   1     17    LYS   CB    33.104   0.037 1     A     17    LYS   CB    1
      148   1     17    LYS   CD    29.454   0.039 1     A     17    LYS   CD    1
      149   1     17    LYS   CE    41.687   0.200 1     A     17    LYS   CE    1
      150   1     17    LYS   CG    25.163   0.081 1     A     17    LYS   CG    1
      151   1     17    LYS   H     8.504    0.004 1     A     17    LYS   H     1
      152   1     17    LYS   HA    4.635    0.001 1     A     17    LYS   HA    1
      153   1     17    LYS   HB2   1.651    0.003 1     A     17    LYS   HB2   1
      154   1     17    LYS   HB3   1.573    0.014 1     A     17    LYS   HB3   1
      155   1     17    LYS   HG2   1.214    0.006 1     A     17    LYS   HG2   1
      156   1     17    LYS   HG3   1.073    0.003 1     A     17    LYS   HG3   1
      157   1     17    LYS   N     127.402  0.068 1     A     17    LYS   N     1
      158   1     17    LYS   HD2   1.603    0.020 1     A     17    LYS   HD2   1
      159   1     17    LYS   HD3   1.603    0.020 1     A     17    LYS   HD3   1
      160   1     17    LYS   HE2   2.886    0.020 1     A     17    LYS   HE2   1
      161   1     17    LYS   HE3   2.886    0.020 1     A     17    LYS   HE3   1
      162   1     18    VAL   CA    61.024   0.038 1     A     18    VAL   CA    1
      163   1     18    VAL   CB    32.705   0.102 1     A     18    VAL   CB    1
      164   1     18    VAL   CG1   22.689   0.118 1     A     18    VAL   CG1   1
      165   1     18    VAL   CG2   21.284   0.075 1     A     18    VAL   CG2   1
      166   1     18    VAL   H     9.165    0.004 1     A     18    VAL   H     1
      167   1     18    VAL   HA    4.290    0.005 1     A     18    VAL   HA    1
      168   1     18    VAL   HB    2.096    0.002 1     A     18    VAL   HB    1
      169   1     18    VAL   N     126.347  0.043 1     A     18    VAL   N     1
      170   1     18    VAL   HG11  1.022    0.020 1     A     18    VAL   HG11  1
      171   1     18    VAL   HG12  1.022    0.020 1     A     18    VAL   HG12  1
      172   1     18    VAL   HG13  1.022    0.020 1     A     18    VAL   HG13  1
      173   1     18    VAL   HG21  0.877    0.001 1     A     18    VAL   HG21  1
      174   1     18    VAL   HG22  0.877    0.001 1     A     18    VAL   HG22  1
      175   1     18    VAL   HG23  0.877    0.001 1     A     18    VAL   HG23  1
      176   1     19    ASN   CA    53.035   0.200 1     A     19    ASN   CA    1
      177   1     19    ASN   CB    37.029   0.080 1     A     19    ASN   CB    1
      178   1     19    ASN   H     9.171    0.002 1     A     19    ASN   H     1
      179   1     19    ASN   HA    4.729    0.020 1     A     19    ASN   HA    1
      180   1     19    ASN   HB2   2.767    0.020 1     A     19    ASN   HB2   1
      181   1     19    ASN   HB3   2.695    0.020 1     A     19    ASN   HB3   1
      182   1     19    ASN   HD21  7.623    0.001 1     A     19    ASN   HD21  1
      183   1     19    ASN   HD22  6.841    0.004 1     A     19    ASN   HD22  1
      184   1     19    ASN   N     129.793  0.015 1     A     19    ASN   N     1
      185   1     19    ASN   ND2   111.965  0.015 1     A     19    ASN   ND2   1
      186   1     20    PRO   CA    64.817   0.064 1     A     20    PRO   CA    1
      187   1     20    PRO   CB    31.982   0.131 1     A     20    PRO   CB    1
      188   1     20    PRO   CG    27.397   0.065 1     A     20    PRO   CG    1
      189   1     20    PRO   HA    4.000    0.020 1     A     20    PRO   HA    1
      190   1     20    PRO   HB2   2.388    0.020 1     A     20    PRO   HB2   1
      191   1     20    PRO   HB3   1.773    0.020 1     A     20    PRO   HB3   1
      192   1     20    PRO   HG2   1.948    0.003 1     A     20    PRO   HG2   1
      193   1     20    PRO   HG3   1.367    0.020 1     A     20    PRO   HG3   1
      194   1     21    GLY   CA    46.094   0.026 1     A     21    GLY   CA    1
      195   1     21    GLY   H     8.779    0.002 1     A     21    GLY   H     1
      196   1     21    GLY   HA2   4.139    0.020 1     A     21    GLY   HA2   1
      197   1     21    GLY   HA3   3.798    0.020 1     A     21    GLY   HA3   1
      198   1     21    GLY   N     113.481  0.008 1     A     21    GLY   N     1
      199   1     22    THR   CA    62.441   0.200 1     A     22    THR   CA    1
      200   1     22    THR   CB    70.993   0.200 1     A     22    THR   CB    1
      201   1     22    THR   CG2   21.971   0.200 1     A     22    THR   CG2   1
      202   1     22    THR   H     7.679    0.002 1     A     22    THR   H     1
      203   1     22    THR   HA    4.629    0.020 1     A     22    THR   HA    1
      204   1     22    THR   HB    4.291    0.020 1     A     22    THR   HB    1
      205   1     22    THR   N     114.153  0.008 1     A     22    THR   N     1
      206   1     22    THR   HG21  1.219    0.020 1     A     22    THR   HG21  1
      207   1     22    THR   HG22  1.219    0.020 1     A     22    THR   HG22  1
      208   1     22    THR   HG23  1.219    0.020 1     A     22    THR   HG23  1
      209   1     23    ARG   CA    54.609   0.064 1     A     23    ARG   CA    1
      210   1     23    ARG   CB    33.101   0.045 1     A     23    ARG   CB    1
      211   1     23    ARG   CD    43.664   0.029 1     A     23    ARG   CD    1
      212   1     23    ARG   CG    27.305   0.070 1     A     23    ARG   CG    1
      213   1     23    ARG   H     8.628    0.004 1     A     23    ARG   H     1
      214   1     23    ARG   HA    5.074    0.002 1     A     23    ARG   HA    1
      215   1     23    ARG   N     122.625  0.028 1     A     23    ARG   N     1
      216   1     23    ARG   HB2   1.730    0.010 1     A     23    ARG   HB2   1
      217   1     23    ARG   HB3   1.730    0.010 1     A     23    ARG   HB3   1
      218   1     23    ARG   HD2   3.075    0.020 1     A     23    ARG   HD2   1
      219   1     23    ARG   HD3   3.075    0.020 1     A     23    ARG   HD3   1
      220   1     23    ARG   HG2   1.490    0.006 1     A     23    ARG   HG2   1
      221   1     23    ARG   HG3   1.490    0.006 1     A     23    ARG   HG3   1
      222   1     24    VAL   CA    58.935   0.031 1     A     24    VAL   CA    1
      223   1     24    VAL   CB    35.827   0.098 1     A     24    VAL   CB    1
      224   1     24    VAL   CG1   22.414   0.023 1     A     24    VAL   CG1   1
      225   1     24    VAL   CG2   21.471   0.055 1     A     24    VAL   CG2   1
      226   1     24    VAL   H     9.084    0.004 1     A     24    VAL   H     1
      227   1     24    VAL   HA    5.471    0.003 1     A     24    VAL   HA    1
      228   1     24    VAL   HB    1.946    0.008 1     A     24    VAL   HB    1
      229   1     24    VAL   N     117.889  0.028 1     A     24    VAL   N     1
      230   1     24    VAL   HG11  0.970    0.020 1     A     24    VAL   HG11  1
      231   1     24    VAL   HG12  0.970    0.020 1     A     24    VAL   HG12  1
      232   1     24    VAL   HG13  0.970    0.020 1     A     24    VAL   HG13  1
      233   1     24    VAL   HG21  0.974    0.001 1     A     24    VAL   HG21  1
      234   1     24    VAL   HG22  0.974    0.001 1     A     24    VAL   HG22  1
      235   1     24    VAL   HG23  0.974    0.001 1     A     24    VAL   HG23  1
      236   1     25    GLU   CA    54.878   0.058 1     A     25    GLU   CA    1
      237   1     25    GLU   CB    33.008   0.085 1     A     25    GLU   CB    1
      238   1     25    GLU   CG    37.040   0.046 1     A     25    GLU   CG    1
      239   1     25    GLU   H     9.013    0.003 1     A     25    GLU   H     1
      240   1     25    GLU   HA    5.277    0.001 1     A     25    GLU   HA    1
      241   1     25    GLU   HB2   1.996    0.018 1     A     25    GLU   HB2   1
      242   1     25    GLU   HB3   1.860    0.004 1     A     25    GLU   HB3   1
      243   1     25    GLU   HG2   2.091    0.006 1     A     25    GLU   HG2   1
      244   1     25    GLU   HG3   1.998    0.020 1     A     25    GLU   HG3   1
      245   1     25    GLU   N     124.883  0.043 1     A     25    GLU   N     1
      246   1     26    ILE   CA    60.008   0.012 1     A     26    ILE   CA    1
      247   1     26    ILE   CB    41.733   0.107 1     A     26    ILE   CB    1
      248   1     26    ILE   CD1   14.782   0.042 1     A     26    ILE   CD1   1
      249   1     26    ILE   CG2   19.045   0.047 1     A     26    ILE   CG2   1
      250   1     26    ILE   H     9.521    0.004 1     A     26    ILE   H     1
      251   1     26    ILE   HA    5.267    0.006 1     A     26    ILE   HA    1
      252   1     26    ILE   HB    1.900    0.020 1     A     26    ILE   HB    1
      253   1     26    ILE   N     126.747  0.050 1     A     26    ILE   N     1
      254   1     26    ILE   HD11  0.875    0.020 1     A     26    ILE   HD11  1
      255   1     26    ILE   HD12  0.875    0.020 1     A     26    ILE   HD12  1
      256   1     26    ILE   HD13  0.875    0.020 1     A     26    ILE   HD13  1
      257   1     26    ILE   HG21  1.071    0.001 1     A     26    ILE   HG21  1
      258   1     26    ILE   HG22  1.071    0.001 1     A     26    ILE   HG22  1
      259   1     26    ILE   HG23  1.071    0.001 1     A     26    ILE   HG23  1
      260   1     27    GLN   CA    54.917   0.045 1     A     27    GLN   CA    1
      261   1     27    GLN   CB    33.111   0.033 1     A     27    GLN   CB    1
      262   1     27    GLN   CG    34.178   0.023 1     A     27    GLN   CG    1
      263   1     27    GLN   H     8.851    0.006 1     A     27    GLN   H     1
      264   1     27    GLN   HA    4.931    0.001 1     A     27    GLN   HA    1
      265   1     27    GLN   HB2   1.999    0.004 1     A     27    GLN   HB2   1
      266   1     27    GLN   HB3   1.902    0.004 1     A     27    GLN   HB3   1
      267   1     27    GLN   HE21  7.264    0.005 1     A     27    GLN   HE21  1
      268   1     27    GLN   HE22  6.620    0.020 1     A     27    GLN   HE22  1
      269   1     27    GLN   HG2   2.193    0.020 1     A     27    GLN   HG2   1
      270   1     27    GLN   HG3   2.051    0.005 1     A     27    GLN   HG3   1
      271   1     27    GLN   N     124.818  0.035 1     A     27    GLN   N     1
      272   1     27    GLN   NE2   110.593  0.022 1     A     27    GLN   NE2   1
      273   1     28    ALA   CA    50.633   0.200 1     A     28    ALA   CA    1
      274   1     28    ALA   CB    22.922   0.200 1     A     28    ALA   CB    1
      275   1     28    ALA   H     9.778    0.002 1     A     28    ALA   H     1
      276   1     28    ALA   HA    4.831    0.020 1     A     28    ALA   HA    1
      277   1     28    ALA   N     129.391  0.016 1     A     28    ALA   N     1
      278   1     28    ALA   HB1   1.071    0.020 1     A     28    ALA   HB1   1
      279   1     28    ALA   HB2   1.071    0.020 1     A     28    ALA   HB2   1
      280   1     28    ALA   HB3   1.071    0.020 1     A     28    ALA   HB3   1
      281   1     29    LYS   CA    55.550   0.001 1     A     29    LYS   CA    1
      282   1     29    LYS   CB    31.794   0.049 1     A     29    LYS   CB    1
      283   1     29    LYS   CD    28.945   0.200 1     A     29    LYS   CD    1
      284   1     29    LYS   CE    42.210   0.068 1     A     29    LYS   CE    1
      285   1     29    LYS   CG    25.473   0.006 1     A     29    LYS   CG    1
      286   1     29    LYS   H     7.795    0.002 1     A     29    LYS   H     1
      287   1     29    LYS   HA    4.434    0.020 1     A     29    LYS   HA    1
      288   1     29    LYS   HB2   2.087    0.005 1     A     29    LYS   HB2   1
      289   1     29    LYS   HB3   1.756    0.020 1     A     29    LYS   HB3   1
      290   1     29    LYS   HG2   1.508    0.020 1     A     29    LYS   HG2   1
      291   1     29    LYS   HG3   1.329    0.020 1     A     29    LYS   HG3   1
      292   1     29    LYS   N     119.698  0.013 1     A     29    LYS   N     1
      293   1     29    LYS   HD2   1.608    0.020 1     A     29    LYS   HD2   1
      294   1     29    LYS   HD3   1.608    0.020 1     A     29    LYS   HD3   1
      295   1     29    LYS   HE2   2.899    0.004 1     A     29    LYS   HE2   1
      296   1     29    LYS   HE3   2.899    0.004 1     A     29    LYS   HE3   1
      297   1     30    GLY   CA    44.560   0.016 1     A     30    GLY   CA    1
      298   1     30    GLY   H     7.121    0.004 1     A     30    GLY   H     1
      299   1     30    GLY   HA2   4.197    0.020 1     A     30    GLY   HA2   1
      300   1     30    GLY   HA3   3.761    0.020 1     A     30    GLY   HA3   1
      301   1     30    GLY   N     106.253  0.015 1     A     30    GLY   N     1
      302   1     31    PRO   CA    63.726   0.200 1     A     31    PRO   CA    1
      303   1     31    PRO   CB    31.818   0.012 1     A     31    PRO   CB    1
      304   1     31    PRO   CD    49.081   0.200 1     A     31    PRO   CD    1
      305   1     31    PRO   CG    27.306   0.200 1     A     31    PRO   CG    1
      306   1     31    PRO   HA    4.442    0.020 1     A     31    PRO   HA    1
      307   1     31    PRO   HB2   2.247    0.020 1     A     31    PRO   HB2   1
      308   1     31    PRO   HB3   1.853    0.020 1     A     31    PRO   HB3   1
      309   1     31    PRO   HD2   3.531    0.020 1     A     31    PRO   HD2   1
      310   1     31    PRO   HD3   3.531    0.020 1     A     31    PRO   HD3   1
      311   1     31    PRO   HG2   2.049    0.020 1     A     31    PRO   HG2   1
      312   1     31    PRO   HG3   2.049    0.020 1     A     31    PRO   HG3   1
      313   1     32    ALA   CA    51.166   0.200 1     A     32    ALA   CA    1
      314   1     32    ALA   CB    24.717   0.200 1     A     32    ALA   CB    1
      315   1     32    ALA   H     7.842    0.002 1     A     32    ALA   H     1
      316   1     32    ALA   HA    5.177    0.020 1     A     32    ALA   HA    1
      317   1     32    ALA   N     123.139  0.007 1     A     32    ALA   N     1
      318   1     32    ALA   HB1   1.364    0.020 1     A     32    ALA   HB1   1
      319   1     32    ALA   HB2   1.364    0.020 1     A     32    ALA   HB2   1
      320   1     32    ALA   HB3   1.364    0.020 1     A     32    ALA   HB3   1
      321   1     33    GLU   CA    54.678   0.028 1     A     33    GLU   CA    1
      322   1     33    GLU   CB    34.900   0.028 1     A     33    GLU   CB    1
      323   1     33    GLU   CG    37.732   0.038 1     A     33    GLU   CG    1
      324   1     33    GLU   H     8.508    0.003 1     A     33    GLU   H     1
      325   1     33    GLU   HA    5.123    0.020 1     A     33    GLU   HA    1
      326   1     33    GLU   N     118.662  0.007 1     A     33    GLU   N     1
      327   1     33    GLU   HB2   1.886    0.003 1     A     33    GLU   HB2   1
      328   1     33    GLU   HB3   1.886    0.003 1     A     33    GLU   HB3   1
      329   1     33    GLU   HG2   2.005    0.001 1     A     33    GLU   HG2   1
      330   1     33    GLU   HG3   2.005    0.001 1     A     33    GLU   HG3   1
      331   1     34    PHE   CA    55.794   0.061 1     A     34    PHE   CA    1
      332   1     34    PHE   CB    42.353   0.038 1     A     34    PHE   CB    1
      333   1     34    PHE   H     8.868    0.001 1     A     34    PHE   H     1
      334   1     34    PHE   HA    5.123    0.020 1     A     34    PHE   HA    1
      335   1     34    PHE   HB2   2.434    0.005 1     A     34    PHE   HB2   1
      336   1     34    PHE   HB3   2.336    0.016 1     A     34    PHE   HB3   1
      337   1     34    PHE   N     123.521  0.009 1     A     34    PHE   N     1
      338   1     35    GLU   CA    54.831   0.031 1     A     35    GLU   CA    1
      339   1     35    GLU   CB    32.950   0.074 1     A     35    GLU   CB    1
      340   1     35    GLU   CG    36.248   0.092 1     A     35    GLU   CG    1
      341   1     35    GLU   H     8.691    0.005 1     A     35    GLU   H     1
      342   1     35    GLU   HA    5.123    0.004 1     A     35    GLU   HA    1
      343   1     35    GLU   HB2   1.886    0.003 1     A     35    GLU   HB2   1
      344   1     35    GLU   HB3   1.683    0.009 1     A     35    GLU   HB3   1
      345   1     35    GLU   HG2   2.069    0.014 1     A     35    GLU   HG2   1
      346   1     35    GLU   HG3   1.986    0.001 1     A     35    GLU   HG3   1
      347   1     35    GLU   N     126.091  0.025 1     A     35    GLU   N     1
      348   1     36    GLY   CA    45.829   0.027 1     A     36    GLY   CA    1
      349   1     36    GLY   H     8.309    0.002 1     A     36    GLY   H     1
      350   1     36    GLY   HA2   4.147    0.020 1     A     36    GLY   HA2   1
      351   1     36    GLY   HA3   3.655    0.020 1     A     36    GLY   HA3   1
      352   1     36    GLY   N     113.344  0.216 1     A     36    GLY   N     1
      353   1     37    GLY   CA    47.160   0.050 1     A     37    GLY   CA    1
      354   1     37    GLY   H     9.428    0.002 1     A     37    GLY   H     1
      355   1     37    GLY   N     112.359  0.003 1     A     37    GLY   N     1
      356   1     37    GLY   HA2   4.036    0.020 1     A     37    GLY   HA2   1
      357   1     37    GLY   HA3   4.036    0.020 1     A     37    GLY   HA3   1
      358   1     38    GLY   CA    45.111   0.016 1     A     38    GLY   CA    1
      359   1     38    GLY   H     8.810    0.001 1     A     38    GLY   H     1
      360   1     38    GLY   HA2   4.299    0.020 1     A     38    GLY   HA2   1
      361   1     38    GLY   HA3   3.709    0.020 1     A     38    GLY   HA3   1
      362   1     38    GLY   N     107.353  0.200 1     A     38    GLY   N     1
      363   1     39    THR   CA    61.302   0.200 1     A     39    THR   CA    1
      364   1     39    THR   CB    71.521   0.200 1     A     39    THR   CB    1
      365   1     39    THR   CG2   21.279   0.200 1     A     39    THR   CG2   1
      366   1     39    THR   H     7.780    0.020 1     A     39    THR   H     1
      367   1     39    THR   HA    4.682    0.020 1     A     39    THR   HA    1
      368   1     39    THR   HB    4.246    0.020 1     A     39    THR   HB    1
      369   1     39    THR   N     115.713  0.007 1     A     39    THR   N     1
      370   1     39    THR   HG21  1.267    0.020 1     A     39    THR   HG21  1
      371   1     39    THR   HG22  1.267    0.020 1     A     39    THR   HG22  1
      372   1     39    THR   HG23  1.267    0.020 1     A     39    THR   HG23  1
      373   1     40    ARG   CA    55.342   0.019 1     A     40    ARG   CA    1
      374   1     40    ARG   CB    32.879   0.065 1     A     40    ARG   CB    1
      375   1     40    ARG   CD    43.585   0.014 1     A     40    ARG   CD    1
      376   1     40    ARG   CG    27.372   0.063 1     A     40    ARG   CG    1
      377   1     40    ARG   H     8.418    0.004 1     A     40    ARG   H     1
      378   1     40    ARG   HA    5.316    0.020 1     A     40    ARG   HA    1
      379   1     40    ARG   HG2   1.458    0.014 1     A     40    ARG   HG2   1
      380   1     40    ARG   HG3   1.367    0.014 1     A     40    ARG   HG3   1
      381   1     40    ARG   N     125.058  0.026 1     A     40    ARG   N     1
      382   1     40    ARG   HB2   1.683    0.020 1     A     40    ARG   HB2   1
      383   1     40    ARG   HB3   1.683    0.020 1     A     40    ARG   HB3   1
      384   1     40    ARG   HD2   3.091    0.030 1     A     40    ARG   HD2   1
      385   1     40    ARG   HD3   3.091    0.030 1     A     40    ARG   HD3   1
      386   1     41    THR   CA    61.314   0.028 1     A     41    THR   CA    1
      387   1     41    THR   CB    71.397   0.037 1     A     41    THR   CB    1
      388   1     41    THR   CG2   20.455   0.032 1     A     41    THR   CG2   1
      389   1     41    THR   H     9.003    0.003 1     A     41    THR   H     1
      390   1     41    THR   HA    4.635    0.020 1     A     41    THR   HA    1
      391   1     41    THR   HB    3.708    0.006 1     A     41    THR   HB    1
      392   1     41    THR   N     120.829  0.037 1     A     41    THR   N     1
      393   1     41    THR   HG21  0.973    0.020 1     A     41    THR   HG21  1
      394   1     41    THR   HG22  0.973    0.020 1     A     41    THR   HG22  1
      395   1     41    THR   HG23  0.973    0.020 1     A     41    THR   HG23  1
      396   1     42    ARG   CA    55.878   0.042 1     A     42    ARG   CA    1
      397   1     42    ARG   CB    31.203   0.027 1     A     42    ARG   CB    1
      398   1     42    ARG   CD    43.297   0.030 1     A     42    ARG   CD    1
      399   1     42    ARG   CG    27.974   0.040 1     A     42    ARG   CG    1
      400   1     42    ARG   H     8.513    0.003 1     A     42    ARG   H     1
      401   1     42    ARG   HA    4.868    0.002 1     A     42    ARG   HA    1
      402   1     42    ARG   HG2   1.704    0.020 1     A     42    ARG   HG2   1
      403   1     42    ARG   HG3   1.562    0.004 1     A     42    ARG   HG3   1
      404   1     42    ARG   N     127.149  0.009 1     A     42    ARG   N     1
      405   1     42    ARG   HB2   1.819    0.004 1     A     42    ARG   HB2   1
      406   1     42    ARG   HB3   1.819    0.004 1     A     42    ARG   HB3   1
      407   1     42    ARG   HD2   3.170    0.004 1     A     42    ARG   HD2   1
      408   1     42    ARG   HD3   3.170    0.004 1     A     42    ARG   HD3   1
      409   1     43    LEU   CA    53.644   0.055 1     A     43    LEU   CA    1
      410   1     43    LEU   CB    43.881   0.076 1     A     43    LEU   CB    1
      411   1     43    LEU   CD1   26.007   0.050 1     A     43    LEU   CD1   1
      412   1     43    LEU   CD2   23.451   0.051 1     A     43    LEU   CD2   1
      413   1     43    LEU   CG    27.222   0.090 1     A     43    LEU   CG    1
      414   1     43    LEU   H     8.693    0.003 1     A     43    LEU   H     1
      415   1     43    LEU   HA    4.657    0.017 1     A     43    LEU   HA    1
      416   1     43    LEU   HB2   1.698    0.013 1     A     43    LEU   HB2   1
      417   1     43    LEU   HB3   1.561    0.003 1     A     43    LEU   HB3   1
      418   1     43    LEU   HG    1.506    0.010 1     A     43    LEU   HG    1
      419   1     43    LEU   N     124.444  0.031 1     A     43    LEU   N     1
      420   1     43    LEU   HD11  0.778    0.001 1     A     43    LEU   HD11  1
      421   1     43    LEU   HD12  0.778    0.001 1     A     43    LEU   HD12  1
      422   1     43    LEU   HD13  0.778    0.001 1     A     43    LEU   HD13  1
      423   1     43    LEU   HD21  0.682    0.020 1     A     43    LEU   HD21  1
      424   1     43    LEU   HD22  0.682    0.020 1     A     43    LEU   HD22  1
      425   1     43    LEU   HD23  0.682    0.020 1     A     43    LEU   HD23  1
      426   1     44    ASN   CA    50.948   0.024 1     A     44    ASN   CA    1
      427   1     44    ASN   CB    38.342   0.024 1     A     44    ASN   CB    1
      428   1     44    ASN   H     8.928    0.003 1     A     44    ASN   H     1
      429   1     44    ASN   HA    5.026    0.020 1     A     44    ASN   HA    1
      430   1     44    ASN   HB2   2.777    0.020 1     A     44    ASN   HB2   1
      431   1     44    ASN   HB3   2.582    0.020 1     A     44    ASN   HB3   1
      432   1     44    ASN   HD21  7.824    0.001 1     A     44    ASN   HD21  1
      433   1     44    ASN   HD22  6.912    0.001 1     A     44    ASN   HD22  1
      434   1     44    ASN   N     122.079  0.039 1     A     44    ASN   N     1
      435   1     44    ASN   ND2   114.941  0.017 1     A     44    ASN   ND2   1
      436   1     45    PRO   CA    63.895   0.041 1     A     45    PRO   CA    1
      437   1     45    PRO   CB    31.377   0.039 1     A     45    PRO   CB    1
      438   1     45    PRO   CD    50.323   0.074 1     A     45    PRO   CD    1
      439   1     45    PRO   CG    27.796   0.038 1     A     45    PRO   CG    1
      440   1     45    PRO   HA    4.147    0.020 1     A     45    PRO   HA    1
      441   1     45    PRO   HD2   3.667    0.020 1     A     45    PRO   HD2   1
      442   1     45    PRO   HD3   3.562    0.020 1     A     45    PRO   HD3   1
      443   1     45    PRO   HG2   2.177    0.002 1     A     45    PRO   HG2   1
      444   1     45    PRO   HG3   1.537    0.004 1     A     45    PRO   HG3   1
      445   1     45    PRO   HB2   1.900    0.020 1     A     45    PRO   HB2   1
      446   1     45    PRO   HB3   1.900    0.020 1     A     45    PRO   HB3   1
      447   1     46    GLY   CA    45.603   0.013 1     A     46    GLY   CA    1
      448   1     46    GLY   H     8.825    0.002 1     A     46    GLY   H     1
      449   1     46    GLY   HA2   4.239    0.020 1     A     46    GLY   HA2   1
      450   1     46    GLY   HA3   3.600    0.020 1     A     46    GLY   HA3   1
      451   1     46    GLY   N     112.024  0.021 1     A     46    GLY   N     1
      452   1     47    GLU   CA    55.855   0.200 1     A     47    GLU   CA    1
      453   1     47    GLU   CB    31.709   0.200 1     A     47    GLU   CB    1
      454   1     47    GLU   CG    36.846   0.200 1     A     47    GLU   CG    1
      455   1     47    GLU   H     7.737    0.001 1     A     47    GLU   H     1
      456   1     47    GLU   HA    4.494    0.020 1     A     47    GLU   HA    1
      457   1     47    GLU   N     121.082  0.014 1     A     47    GLU   N     1
      458   1     47    GLU   HB2   2.142    0.020 1     A     47    GLU   HB2   1
      459   1     47    GLU   HB3   2.142    0.020 1     A     47    GLU   HB3   1
      460   1     47    GLU   HG2   2.201    0.020 1     A     47    GLU   HG2   1
      461   1     47    GLU   HG3   2.201    0.020 1     A     47    GLU   HG3   1
      462   1     48    SER   CA    58.128   0.017 1     A     48    SER   CA    1
      463   1     48    SER   CB    64.677   0.012 1     A     48    SER   CB    1
      464   1     48    SER   H     8.581    0.001 1     A     48    SER   H     1
      465   1     48    SER   HA    5.072    0.020 1     A     48    SER   HA    1
      466   1     48    SER   HB2   3.697    0.011 1     A     48    SER   HB2   1
      467   1     48    SER   HB3   3.614    0.003 1     A     48    SER   HB3   1
      468   1     48    SER   N     118.362  0.007 1     A     48    SER   N     1
      469   1     49    TYR   CA    57.621   0.200 1     A     49    TYR   CA    1
      470   1     49    TYR   CB    41.597   0.200 1     A     49    TYR   CB    1
      471   1     49    TYR   H     9.157    0.002 1     A     49    TYR   H     1
      472   1     49    TYR   HA    4.529    0.020 1     A     49    TYR   HA    1
      473   1     49    TYR   N     126.922  0.014 1     A     49    TYR   N     1
      474   1     49    TYR   HB2   2.483    0.020 1     A     49    TYR   HB2   1
      475   1     49    TYR   HB3   2.483    0.020 1     A     49    TYR   HB3   1
      476   1     50    LYS   CA    54.927   0.200 1     A     50    LYS   CA    1
      477   1     50    LYS   CB    34.692   0.001 1     A     50    LYS   CB    1
      478   1     50    LYS   CD    29.389   0.200 1     A     50    LYS   CD    1
      479   1     50    LYS   CE    41.933   0.009 1     A     50    LYS   CE    1
      480   1     50    LYS   CG    25.364   0.047 1     A     50    LYS   CG    1
      481   1     50    LYS   H     7.767    0.006 1     A     50    LYS   H     1
      482   1     50    LYS   HA    5.122    0.020 1     A     50    LYS   HA    1
      483   1     50    LYS   HB2   1.608    0.020 1     A     50    LYS   HB2   1
      484   1     50    LYS   HB3   1.510    0.020 1     A     50    LYS   HB3   1
      485   1     50    LYS   HG2   1.268    0.020 1     A     50    LYS   HG2   1
      486   1     50    LYS   HG3   1.176    0.020 1     A     50    LYS   HG3   1
      487   1     50    LYS   N     126.358  0.015 1     A     50    LYS   N     1
      488   1     50    LYS   HD2   1.519    0.020 1     A     50    LYS   HD2   1
      489   1     50    LYS   HD3   1.519    0.020 1     A     50    LYS   HD3   1
      490   1     50    LYS   HE2   2.832    0.003 1     A     50    LYS   HE2   1
      491   1     50    LYS   HE3   2.832    0.003 1     A     50    LYS   HE3   1
      492   1     51    PHE   CA    57.370   0.200 1     A     51    PHE   CA    1
      493   1     51    PHE   CB    43.050   0.040 1     A     51    PHE   CB    1
      494   1     51    PHE   H     8.704    0.006 1     A     51    PHE   H     1
      495   1     51    PHE   HA    4.550    0.020 1     A     51    PHE   HA    1
      496   1     51    PHE   HB2   2.775    0.020 1     A     51    PHE   HB2   1
      497   1     51    PHE   HB3   2.641    0.020 1     A     51    PHE   HB3   1
      498   1     51    PHE   N     122.624  0.037 1     A     51    PHE   N     1
      499   1     52    GLU   CA    54.100   0.014 1     A     52    GLU   CA    1
      500   1     52    GLU   CB    32.888   0.008 1     A     52    GLU   CB    1
      501   1     52    GLU   CG    35.817   0.010 1     A     52    GLU   CG    1
      502   1     52    GLU   H     7.719    0.002 1     A     52    GLU   H     1
      503   1     52    GLU   HA    4.826    0.001 1     A     52    GLU   HA    1
      504   1     52    GLU   N     125.804  0.019 1     A     52    GLU   N     1
      505   1     52    GLU   HB2   1.676    0.004 1     A     52    GLU   HB2   1
      506   1     52    GLU   HB3   1.676    0.004 1     A     52    GLU   HB3   1
      507   1     52    GLU   HG2   1.886    0.020 1     A     52    GLU   HG2   1
      508   1     52    GLU   HG3   1.886    0.020 1     A     52    GLU   HG3   1
      509   1     53    ASN   CA    51.074   0.200 1     A     53    ASN   CA    1
      510   1     53    ASN   CB    38.485   0.046 1     A     53    ASN   CB    1
      511   1     53    ASN   H     8.032    0.003 1     A     53    ASN   H     1
      512   1     53    ASN   HA    4.784    0.020 1     A     53    ASN   HA    1
      513   1     53    ASN   HB2   3.419    0.001 1     A     53    ASN   HB2   1
      514   1     53    ASN   HB3   2.297    0.020 1     A     53    ASN   HB3   1
      515   1     53    ASN   HD21  8.210    0.001 1     A     53    ASN   HD21  1
      516   1     53    ASN   HD22  6.805    0.020 1     A     53    ASN   HD22  1
      517   1     53    ASN   N     118.793  0.018 1     A     53    ASN   N     1
      518   1     53    ASN   ND2   111.753  0.013 1     A     53    ASN   ND2   1
      519   1     54    LEU   CA    54.097   0.027 1     A     54    LEU   CA    1
      520   1     54    LEU   CB    40.833   0.200 1     A     54    LEU   CB    1
      521   1     54    LEU   CD1   25.406   0.047 1     A     54    LEU   CD1   1
      522   1     54    LEU   CD2   22.345   0.054 1     A     54    LEU   CD2   1
      523   1     54    LEU   CG    27.079   0.006 1     A     54    LEU   CG    1
      524   1     54    LEU   H     8.733    0.002 1     A     54    LEU   H     1
      525   1     54    LEU   HA    4.634    0.020 1     A     54    LEU   HA    1
      526   1     54    LEU   HB2   1.746    0.020 1     A     54    LEU   HB2   1
      527   1     54    LEU   HB3   1.563    0.020 1     A     54    LEU   HB3   1
      528   1     54    LEU   HG    1.381    0.020 1     A     54    LEU   HG    1
      529   1     54    LEU   N     126.989  0.026 1     A     54    LEU   N     1
      530   1     54    LEU   HD11  0.829    0.020 1     A     54    LEU   HD11  1
      531   1     54    LEU   HD12  0.829    0.020 1     A     54    LEU   HD12  1
      532   1     54    LEU   HD13  0.829    0.020 1     A     54    LEU   HD13  1
      533   1     54    LEU   HD21  0.679    0.020 1     A     54    LEU   HD21  1
      534   1     54    LEU   HD22  0.679    0.020 1     A     54    LEU   HD22  1
      535   1     54    LEU   HD23  0.679    0.020 1     A     54    LEU   HD23  1
      536   1     55    THR   CA    60.924   0.011 1     A     55    THR   CA    1
      537   1     55    THR   CB    70.660   0.007 1     A     55    THR   CB    1
      538   1     55    THR   CG2   21.260   0.011 1     A     55    THR   CG2   1
      539   1     55    THR   H     8.206    0.001 1     A     55    THR   H     1
      540   1     55    THR   HA    4.812    0.005 1     A     55    THR   HA    1
      541   1     55    THR   HB    4.549    0.005 1     A     55    THR   HB    1
      542   1     55    THR   N     112.440  0.037 1     A     55    THR   N     1
      543   1     55    THR   HG21  1.318    0.020 1     A     55    THR   HG21  1
      544   1     55    THR   HG22  1.318    0.020 1     A     55    THR   HG22  1
      545   1     55    THR   HG23  1.318    0.020 1     A     55    THR   HG23  1
      546   1     56    SER   CA    58.328   0.016 1     A     56    SER   CA    1
      547   1     56    SER   CB    64.220   0.032 1     A     56    SER   CB    1
      548   1     56    SER   H     8.208    0.002 1     A     56    SER   H     1
      549   1     56    SER   HA    4.491    0.020 1     A     56    SER   HA    1
      550   1     56    SER   HB2   4.086    0.010 1     A     56    SER   HB2   1
      551   1     56    SER   HB3   3.929    0.029 1     A     56    SER   HB3   1
      552   1     56    SER   N     110.220  0.009 1     A     56    SER   N     1
      553   1     57    GLN   CA    52.857   0.200 1     A     57    GLN   CA    1
      554   1     57    GLN   CB    30.953   0.001 1     A     57    GLN   CB    1
      555   1     57    GLN   CG    33.257   0.010 1     A     57    GLN   CG    1
      556   1     57    GLN   H     8.157    0.003 1     A     57    GLN   H     1
      557   1     57    GLN   HA    4.977    0.020 1     A     57    GLN   HA    1
      558   1     57    GLN   HB2   2.101    0.020 1     A     57    GLN   HB2   1
      559   1     57    GLN   HB3   1.850    0.020 1     A     57    GLN   HB3   1
      560   1     57    GLN   HE21  7.360    0.020 1     A     57    GLN   HE21  1
      561   1     57    GLN   HE22  6.779    0.020 1     A     57    GLN   HE22  1
      562   1     57    GLN   N     120.286  0.008 1     A     57    GLN   N     1
      563   1     57    GLN   NE2   111.940  0.006 1     A     57    GLN   NE2   1
      564   1     57    GLN   HG2   2.343    0.003 1     A     57    GLN   HG2   1
      565   1     57    GLN   HG3   2.343    0.003 1     A     57    GLN   HG3   1
      566   1     58    PRO   CA    63.132   0.200 1     A     58    PRO   CA    1
      567   1     58    PRO   CB    31.963   0.010 1     A     58    PRO   CB    1
      568   1     58    PRO   CD    50.712   0.061 1     A     58    PRO   CD    1
      569   1     58    PRO   CG    27.871   0.018 1     A     58    PRO   CG    1
      570   1     58    PRO   HA    4.394    0.020 1     A     58    PRO   HA    1
      571   1     58    PRO   HB2   2.198    0.020 1     A     58    PRO   HB2   1
      572   1     58    PRO   HB3   1.708    0.020 1     A     58    PRO   HB3   1
      573   1     58    PRO   HD2   3.852    0.020 1     A     58    PRO   HD2   1
      574   1     58    PRO   HD3   3.212    0.020 1     A     58    PRO   HD3   1
      575   1     58    PRO   HG2   2.144    0.020 1     A     58    PRO   HG2   1
      576   1     58    PRO   HG3   2.008    0.020 1     A     58    PRO   HG3   1
      577   1     59    LEU   CA    53.310   0.200 1     A     59    LEU   CA    1
      578   1     59    LEU   CB    46.004   0.200 1     A     59    LEU   CB    1
      579   1     59    LEU   CD1   22.705   0.200 1     A     59    LEU   CD1   1
      580   1     59    LEU   CD2   21.285   0.200 1     A     59    LEU   CD2   1
      581   1     59    LEU   CG    26.183   0.200 1     A     59    LEU   CG    1
      582   1     59    LEU   H     8.123    0.006 1     A     59    LEU   H     1
      583   1     59    LEU   HA    4.737    0.020 1     A     59    LEU   HA    1
      584   1     59    LEU   HG    0.968    0.020 1     A     59    LEU   HG    1
      585   1     59    LEU   N     123.017  0.026 1     A     59    LEU   N     1
      586   1     59    LEU   HB2   1.560    0.020 1     A     59    LEU   HB2   1
      587   1     59    LEU   HB3   1.560    0.020 1     A     59    LEU   HB3   1
      588   1     59    LEU   HD11  1.025    0.020 1     A     59    LEU   HD11  1
      589   1     59    LEU   HD12  1.025    0.020 1     A     59    LEU   HD12  1
      590   1     59    LEU   HD13  1.025    0.020 1     A     59    LEU   HD13  1
      591   1     59    LEU   HD21  0.877    0.020 1     A     59    LEU   HD21  1
      592   1     59    LEU   HD22  0.877    0.020 1     A     59    LEU   HD22  1
      593   1     59    LEU   HD23  0.877    0.020 1     A     59    LEU   HD23  1
      594   1     60    ARG   CA    55.059   0.018 1     A     60    ARG   CA    1
      595   1     60    ARG   CB    31.645   0.040 1     A     60    ARG   CB    1
      596   1     60    ARG   CD    43.316   0.085 1     A     60    ARG   CD    1
      597   1     60    ARG   CG    27.647   0.066 1     A     60    ARG   CG    1
      598   1     60    ARG   H     8.454    0.003 1     A     60    ARG   H     1
      599   1     60    ARG   HA    4.973    0.020 1     A     60    ARG   HA    1
      600   1     60    ARG   HB2   1.549    0.008 1     A     60    ARG   HB2   1
      601   1     60    ARG   HB3   1.471    0.017 1     A     60    ARG   HB3   1
      602   1     60    ARG   HG2   1.461    0.020 1     A     60    ARG   HG2   1
      603   1     60    ARG   HG3   1.266    0.004 1     A     60    ARG   HG3   1
      604   1     60    ARG   N     121.517  0.014 1     A     60    ARG   N     1
      605   1     60    ARG   HD2   3.016    0.004 1     A     60    ARG   HD2   1
      606   1     60    ARG   HD3   3.016    0.004 1     A     60    ARG   HD3   1
      607   1     61    ILE   CA    58.653   0.047 1     A     61    ILE   CA    1
      608   1     61    ILE   CB    39.974   0.053 1     A     61    ILE   CB    1
      609   1     61    ILE   CD1   13.670   0.055 1     A     61    ILE   CD1   1
      610   1     61    ILE   CG2   18.328   0.066 1     A     61    ILE   CG2   1
      611   1     61    ILE   H     8.838    0.003 1     A     61    ILE   H     1
      612   1     61    ILE   HA    4.585    0.001 1     A     61    ILE   HA    1
      613   1     61    ILE   HB    1.425    0.005 1     A     61    ILE   HB    1
      614   1     61    ILE   N     122.543  0.023 1     A     61    ILE   N     1
      615   1     61    ILE   HD11  0.384    0.001 1     A     61    ILE   HD11  1
      616   1     61    ILE   HD12  0.384    0.001 1     A     61    ILE   HD12  1
      617   1     61    ILE   HD13  0.384    0.001 1     A     61    ILE   HD13  1
      618   1     61    ILE   HG21  0.293    0.001 1     A     61    ILE   HG21  1
      619   1     61    ILE   HG22  0.293    0.001 1     A     61    ILE   HG22  1
      620   1     61    ILE   HG23  0.293    0.001 1     A     61    ILE   HG23  1
      621   1     62    ARG   CA    54.883   0.042 1     A     62    ARG   CA    1
      622   1     62    ARG   CB    33.080   0.056 1     A     62    ARG   CB    1
      623   1     62    ARG   CD    43.344   0.034 1     A     62    ARG   CD    1
      624   1     62    ARG   CG    27.839   0.054 1     A     62    ARG   CG    1
      625   1     62    ARG   H     8.719    0.005 1     A     62    ARG   H     1
      626   1     62    ARG   HA    4.873    0.005 1     A     62    ARG   HA    1
      627   1     62    ARG   HG2   1.407    0.001 1     A     62    ARG   HG2   1
      628   1     62    ARG   HG3   1.318    0.005 1     A     62    ARG   HG3   1
      629   1     62    ARG   N     123.128  0.019 1     A     62    ARG   N     1
      630   1     62    ARG   HB2   1.515    0.016 1     A     62    ARG   HB2   1
      631   1     62    ARG   HB3   1.515    0.016 1     A     62    ARG   HB3   1
      632   1     62    ARG   HD2   2.977    0.020 1     A     62    ARG   HD2   1
      633   1     62    ARG   HD3   2.977    0.020 1     A     62    ARG   HD3   1
      634   1     63    LEU   CA    52.820   0.032 1     A     63    LEU   CA    1
      635   1     63    LEU   CB    42.840   0.044 1     A     63    LEU   CB    1
      636   1     63    LEU   CD1   24.840   0.028 1     A     63    LEU   CD1   1
      637   1     63    LEU   CD2   24.456   0.086 1     A     63    LEU   CD2   1
      638   1     63    LEU   CG    26.519   0.030 1     A     63    LEU   CG    1
      639   1     63    LEU   H     8.808    0.004 1     A     63    LEU   H     1
      640   1     63    LEU   HA    4.821    0.020 1     A     63    LEU   HA    1
      641   1     63    LEU   HB2   1.263    0.020 1     A     63    LEU   HB2   1
      642   1     63    LEU   HB3   0.536    0.020 1     A     63    LEU   HB3   1
      643   1     63    LEU   HG    1.412    0.020 1     A     63    LEU   HG    1
      644   1     63    LEU   N     123.495  0.026 1     A     63    LEU   N     1
      645   1     63    LEU   HD11  0.288    0.020 1     A     63    LEU   HD11  1
      646   1     63    LEU   HD12  0.288    0.020 1     A     63    LEU   HD12  1
      647   1     63    LEU   HD13  0.288    0.020 1     A     63    LEU   HD13  1
      648   1     63    LEU   HD21  0.583    0.020 1     A     63    LEU   HD21  1
      649   1     63    LEU   HD22  0.583    0.020 1     A     63    LEU   HD22  1
      650   1     63    LEU   HD23  0.583    0.020 1     A     63    LEU   HD23  1
      651   1     64    ARG   CA    54.816   0.200 1     A     64    ARG   CA    1
      652   1     64    ARG   CB    34.047   0.040 1     A     64    ARG   CB    1
      653   1     64    ARG   CD    43.160   0.200 1     A     64    ARG   CD    1
      654   1     64    ARG   CG    28.225   0.026 1     A     64    ARG   CG    1
      655   1     64    ARG   H     8.796    0.001 1     A     64    ARG   H     1
      656   1     64    ARG   HA    5.010    0.020 1     A     64    ARG   HA    1
      657   1     64    ARG   HB2   1.704    0.020 1     A     64    ARG   HB2   1
      658   1     64    ARG   HB3   1.561    0.020 1     A     64    ARG   HB3   1
      659   1     64    ARG   HG2   1.358    0.020 1     A     64    ARG   HG2   1
      660   1     64    ARG   HG3   1.272    0.020 1     A     64    ARG   HG3   1
      661   1     64    ARG   N     119.981  0.019 1     A     64    ARG   N     1
      662   1     64    ARG   HD2   3.096    0.020 1     A     64    ARG   HD2   1
      663   1     64    ARG   HD3   3.096    0.020 1     A     64    ARG   HD3   1
      664   1     65    ASN   CA    52.656   0.033 1     A     65    ASN   CA    1
      665   1     65    ASN   CB    39.299   0.028 1     A     65    ASN   CB    1
      666   1     65    ASN   H     7.999    0.002 1     A     65    ASN   H     1
      667   1     65    ASN   HA    4.736    0.020 1     A     65    ASN   HA    1
      668   1     65    ASN   HB2   3.319    0.003 1     A     65    ASN   HB2   1
      669   1     65    ASN   HB3   2.343    0.002 1     A     65    ASN   HB3   1
      670   1     65    ASN   HD21  7.850    0.020 1     A     65    ASN   HD21  1
      671   1     65    ASN   HD22  6.873    0.001 1     A     65    ASN   HD22  1
      672   1     65    ASN   N     121.376  0.012 1     A     65    ASN   N     1
      673   1     65    ASN   ND2   111.535  0.004 1     A     65    ASN   ND2   1
      674   1     66    LEU   CA    54.437   0.200 1     A     66    LEU   CA    1
      675   1     66    LEU   CB    41.808   0.008 1     A     66    LEU   CB    1
      676   1     66    LEU   CD1   25.726   0.200 1     A     66    LEU   CD1   1
      677   1     66    LEU   CD2   22.071   0.200 1     A     66    LEU   CD2   1
      678   1     66    LEU   CG    27.204   0.200 1     A     66    LEU   CG    1
      679   1     66    LEU   H     8.153    0.006 1     A     66    LEU   H     1
      680   1     66    LEU   HA    4.585    0.020 1     A     66    LEU   HA    1
      681   1     66    LEU   HB2   1.710    0.020 1     A     66    LEU   HB2   1
      682   1     66    LEU   HB3   1.224    0.020 1     A     66    LEU   HB3   1
      683   1     66    LEU   HG    1.425    0.020 1     A     66    LEU   HG    1
      684   1     66    LEU   N     127.357  0.040 1     A     66    LEU   N     1
      685   1     66    LEU   HD11  0.733    0.020 1     A     66    LEU   HD11  1
      686   1     66    LEU   HD12  0.733    0.020 1     A     66    LEU   HD12  1
      687   1     66    LEU   HD13  0.733    0.020 1     A     66    LEU   HD13  1
      688   1     66    LEU   HD21  0.686    0.020 1     A     66    LEU   HD21  1
      689   1     66    LEU   HD22  0.686    0.020 1     A     66    LEU   HD22  1
      690   1     66    LEU   HD23  0.686    0.020 1     A     66    LEU   HD23  1
      691   1     67    SER   CA    57.159   0.028 1     A     67    SER   CA    1
      692   1     67    SER   CB    65.632   0.026 1     A     67    SER   CB    1
      693   1     67    SER   H     8.881    0.001 1     A     67    SER   H     1
      694   1     67    SER   HA    4.640    0.001 1     A     67    SER   HA    1
      695   1     67    SER   HB2   4.194    0.001 1     A     67    SER   HB2   1
      696   1     67    SER   HB3   4.050    0.001 1     A     67    SER   HB3   1
      697   1     67    SER   N     118.483  0.022 1     A     67    SER   N     1
      698   1     68    ASP   CA    53.830   0.200 1     A     68    ASP   CA    1
      699   1     68    ASP   CB    40.942   0.018 1     A     68    ASP   CB    1
      700   1     68    ASP   H     8.323    0.002 1     A     68    ASP   H     1
      701   1     68    ASP   HA    4.641    0.020 1     A     68    ASP   HA    1
      702   1     68    ASP   HB2   2.828    0.020 1     A     68    ASP   HB2   1
      703   1     68    ASP   HB3   2.684    0.020 1     A     68    ASP   HB3   1
      704   1     68    ASP   N     116.914  0.007 1     A     68    ASP   N     1
      705   1     69    THR   CA    58.872   0.200 1     A     69    THR   CA    1
      706   1     69    THR   CB    70.749   0.200 1     A     69    THR   CB    1
      707   1     69    THR   CG2   20.958   0.200 1     A     69    THR   CG2   1
      708   1     69    THR   H     7.885    0.002 1     A     69    THR   H     1
      709   1     69    THR   HA    4.863    0.020 1     A     69    THR   HA    1
      710   1     69    THR   HB    4.239    0.020 1     A     69    THR   HB    1
      711   1     69    THR   N     112.909  0.012 1     A     69    THR   N     1
      712   1     69    THR   HG21  1.171    0.020 1     A     69    THR   HG21  1
      713   1     69    THR   HG22  1.171    0.020 1     A     69    THR   HG22  1
      714   1     69    THR   HG23  1.171    0.020 1     A     69    THR   HG23  1
      715   1     70    PRO   CA    63.906   0.200 1     A     70    PRO   CA    1
      716   1     70    PRO   CB    31.679   0.046 1     A     70    PRO   CB    1
      717   1     70    PRO   CD    51.051   0.042 1     A     70    PRO   CD    1
      718   1     70    PRO   CG    28.354   0.200 1     A     70    PRO   CG    1
      719   1     70    PRO   HA    4.398    0.020 1     A     70    PRO   HA    1
      720   1     70    PRO   HB2   2.193    0.020 1     A     70    PRO   HB2   1
      721   1     70    PRO   HB3   1.702    0.020 1     A     70    PRO   HB3   1
      722   1     70    PRO   HD2   3.819    0.001 1     A     70    PRO   HD2   1
      723   1     70    PRO   HD3   3.669    0.004 1     A     70    PRO   HD3   1
      724   1     70    PRO   HG2   2.118    0.020 1     A     70    PRO   HG2   1
      725   1     70    PRO   HG3   1.976    0.001 1     A     70    PRO   HG3   1
      726   1     71    ILE   CA    58.799   0.023 1     A     71    ILE   CA    1
      727   1     71    ILE   CB    43.145   0.200 1     A     71    ILE   CB    1
      728   1     71    ILE   CD1   14.318   0.200 1     A     71    ILE   CD1   1
      729   1     71    ILE   CG2   17.597   0.200 1     A     71    ILE   CG2   1
      730   1     71    ILE   H     7.841    0.003 1     A     71    ILE   H     1
      731   1     71    ILE   HA    4.737    0.004 1     A     71    ILE   HA    1
      732   1     71    ILE   HB    1.365    0.020 1     A     71    ILE   HB    1
      733   1     71    ILE   N     117.666  0.014 1     A     71    ILE   N     1
      734   1     71    ILE   HD11  0.389    0.020 1     A     71    ILE   HD11  1
      735   1     71    ILE   HD12  0.389    0.020 1     A     71    ILE   HD12  1
      736   1     71    ILE   HD13  0.389    0.020 1     A     71    ILE   HD13  1
      737   1     71    ILE   HG21  0.636    0.020 1     A     71    ILE   HG21  1
      738   1     71    ILE   HG22  0.636    0.020 1     A     71    ILE   HG22  1
      739   1     71    ILE   HG23  0.636    0.020 1     A     71    ILE   HG23  1
      740   1     72    GLU   CA    54.992   0.200 1     A     72    GLU   CA    1
      741   1     72    GLU   CB    32.877   0.200 1     A     72    GLU   CB    1
      742   1     72    GLU   CG    37.686   0.017 1     A     72    GLU   CG    1
      743   1     72    GLU   H     7.712    0.002 1     A     72    GLU   H     1
      744   1     72    GLU   HA    5.025    0.020 1     A     72    GLU   HA    1
      745   1     72    GLU   HG2   2.047    0.020 1     A     72    GLU   HG2   1
      746   1     72    GLU   HG3   1.856    0.020 1     A     72    GLU   HG3   1
      747   1     72    GLU   N     122.715  0.015 1     A     72    GLU   N     1
      748   1     72    GLU   HB2   1.785    0.020 1     A     72    GLU   HB2   1
      749   1     72    GLU   HB3   1.785    0.020 1     A     72    GLU   HB3   1
      750   1     73    PHE   CA    56.711   0.006 1     A     73    PHE   CA    1
      751   1     73    PHE   CB    41.985   0.055 1     A     73    PHE   CB    1
      752   1     73    PHE   H     9.251    0.003 1     A     73    PHE   H     1
      753   1     73    PHE   HA    5.127    0.001 1     A     73    PHE   HA    1
      754   1     73    PHE   HB2   2.733    0.002 1     A     73    PHE   HB2   1
      755   1     73    PHE   HB3   2.519    0.010 1     A     73    PHE   HB3   1
      756   1     73    PHE   N     122.799  0.035 1     A     73    PHE   N     1
      757   1     74    ARG   CA    55.025   0.048 1     A     74    ARG   CA    1
      758   1     74    ARG   CB    32.713   0.129 1     A     74    ARG   CB    1
      759   1     74    ARG   CD    43.618   0.049 1     A     74    ARG   CD    1
      760   1     74    ARG   CG    27.387   0.114 1     A     74    ARG   CG    1
      761   1     74    ARG   H     8.953    0.002 1     A     74    ARG   H     1
      762   1     74    ARG   HA    5.072    0.005 1     A     74    ARG   HA    1
      763   1     74    ARG   HB2   1.902    0.001 1     A     74    ARG   HB2   1
      764   1     74    ARG   HB3   1.744    0.009 1     A     74    ARG   HB3   1
      765   1     74    ARG   HG2   1.562    0.005 1     A     74    ARG   HG2   1
      766   1     74    ARG   HG3   1.365    0.001 1     A     74    ARG   HG3   1
      767   1     74    ARG   N     121.608  0.021 1     A     74    ARG   N     1
      768   1     74    ARG   HD2   3.104    0.020 1     A     74    ARG   HD2   1
      769   1     74    ARG   HD3   3.104    0.020 1     A     74    ARG   HD3   1
      770   1     75    ILE   CA    60.950   0.200 1     A     75    ILE   CA    1
      771   1     75    ILE   CB    40.523   0.015 1     A     75    ILE   CB    1
      772   1     75    ILE   CD1   15.281   0.050 1     A     75    ILE   CD1   1
      773   1     75    ILE   CG2   18.279   0.078 1     A     75    ILE   CG2   1
      774   1     75    ILE   H     9.243    0.008 1     A     75    ILE   H     1
      775   1     75    ILE   HA    4.825    0.020 1     A     75    ILE   HA    1
      776   1     75    ILE   HB    1.901    0.020 1     A     75    ILE   HB    1
      777   1     75    ILE   N     126.931  0.044 1     A     75    ILE   N     1
      778   1     75    ILE   HD11  0.729    0.020 1     A     75    ILE   HD11  1
      779   1     75    ILE   HD12  0.729    0.020 1     A     75    ILE   HD12  1
      780   1     75    ILE   HD13  0.729    0.020 1     A     75    ILE   HD13  1
      781   1     75    ILE   HG21  0.825    0.005 1     A     75    ILE   HG21  1
      782   1     75    ILE   HG22  0.825    0.005 1     A     75    ILE   HG22  1
      783   1     75    ILE   HG23  0.825    0.005 1     A     75    ILE   HG23  1
      784   1     76    ARG   CA    55.187   0.057 1     A     76    ARG   CA    1
      785   1     76    ARG   CB    33.276   0.024 1     A     76    ARG   CB    1
      786   1     76    ARG   CD    43.543   0.200 1     A     76    ARG   CD    1
      787   1     76    ARG   CG    28.364   0.219 1     A     76    ARG   CG    1
      788   1     76    ARG   H     9.339    0.005 1     A     76    ARG   H     1
      789   1     76    ARG   HA    5.314    0.004 1     A     76    ARG   HA    1
      790   1     76    ARG   HB2   1.896    0.020 1     A     76    ARG   HB2   1
      791   1     76    ARG   HB3   1.805    0.020 1     A     76    ARG   HB3   1
      792   1     76    ARG   HG2   1.610    0.020 1     A     76    ARG   HG2   1
      793   1     76    ARG   HG3   1.513    0.020 1     A     76    ARG   HG3   1
      794   1     76    ARG   N     129.118  0.031 1     A     76    ARG   N     1
      795   1     76    ARG   HD2   3.144    0.020 1     A     76    ARG   HD2   1
      796   1     76    ARG   HD3   3.144    0.020 1     A     76    ARG   HD3   1
      797   1     77    GLU   CA    55.382   0.083 1     A     77    GLU   CA    1
      798   1     77    GLU   CB    33.346   0.043 1     A     77    GLU   CB    1
      799   1     77    GLU   CG    37.060   0.143 1     A     77    GLU   CG    1
      800   1     77    GLU   H     8.877    0.012 1     A     77    GLU   H     1
      801   1     77    GLU   HA    5.121    0.005 1     A     77    GLU   HA    1
      802   1     77    GLU   HB2   2.144    0.020 1     A     77    GLU   HB2   1
      803   1     77    GLU   HB3   1.944    0.005 1     A     77    GLU   HB3   1
      804   1     77    GLU   N     125.236  0.023 1     A     77    GLU   N     1
      805   1     77    GLU   HG2   2.189    0.005 1     A     77    GLU   HG2   1
      806   1     77    GLU   HG3   2.189    0.005 1     A     77    GLU   HG3   1
      807   1     78    GLU   CA    57.947   0.005 1     A     78    GLU   CA    1
      808   1     78    GLU   CB    32.639   0.015 1     A     78    GLU   CB    1
      809   1     78    GLU   CG    36.821   0.023 1     A     78    GLU   CG    1
      810   1     78    GLU   H     8.682    0.003 1     A     78    GLU   H     1
      811   1     78    GLU   HA    4.390    0.020 1     A     78    GLU   HA    1
      812   1     78    GLU   HB2   2.090    0.020 1     A     78    GLU   HB2   1
      813   1     78    GLU   HB3   1.904    0.020 1     A     78    GLU   HB3   1
      814   1     78    GLU   N     127.995  0.010 1     A     78    GLU   N     1
      815   1     78    GLU   HG2   2.155    0.020 1     A     78    GLU   HG2   1
      816   1     78    GLU   HG3   2.155    0.020 1     A     78    GLU   HG3   1
   stop_
save_



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