Content for NMR-STAR saveframe, "chemical_shift_set_2"

    save_chemical_shift_set_2
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_set_2
   _Assigned_chem_shift_list.Entry_ID                      5345
   _Assigned_chem_shift_list.ID                            2
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      . . 1 $sample_1 . 5345 2 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _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.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 2 1  3  3 PRO CA   C 13  63.400 0.005 . 1 . . . . . . . . 5345 2 
        2 . 2 1  3  3 PRO HA   H  1   4.500 0.005 . 1 . . . . . . . . 5345 2 
        3 . 2 1  3  3 PRO CB   C 13  32.300 0.005 . 1 . . . . . . . . 5345 2 
        4 . 2 1  3  3 PRO HB3  H  1   1.904 0.005 . 2 . . . . . . . . 5345 2 
        5 . 2 1  3  3 PRO HB2  H  1   2.378 0.005 . 2 . . . . . . . . 5345 2 
        6 . 2 1  3  3 PRO CG   C 13  27.600 0.005 . 1 . . . . . . . . 5345 2 
        7 . 2 1  3  3 PRO HG3  H  1   2.008 0.005 . 2 . . . . . . . . 5345 2 
        8 . 2 1  3  3 PRO HG2  H  1   2.121 0.005 . 2 . . . . . . . . 5345 2 
        9 . 2 1  3  3 PRO HD3  H  1   3.730 0.005 . 2 . . . . . . . . 5345 2 
       10 . 2 1  3  3 PRO HD2  H  1   3.885 0.005 . 2 . . . . . . . . 5345 2 
       11 . 2 1  4  4 VAL N    N 15 120.700 0.005 . 1 . . . . . . . . 5345 2 
       12 . 2 1  4  4 VAL H    H  1   8.010 0.005 . 1 . . . . . . . . 5345 2 
       13 . 2 1  4  4 VAL CA   C 13  62.800 0.005 . 1 . . . . . . . . 5345 2 
       14 . 2 1  4  4 VAL HA   H  1   4.390 0.005 . 1 . . . . . . . . 5345 2 
       15 . 2 1  4  4 VAL CB   C 13  33.350 0.005 . 1 . . . . . . . . 5345 2 
       16 . 2 1  4  4 VAL HB   H  1   2.220 0.005 . 1 . . . . . . . . 5345 2 
       17 . 2 1  4  4 VAL CG2  C 13  21.100 0.005 . 1 . . . . . . . . 5345 2 
       18 . 2 1  4  4 VAL HG21 H  1   1.190 0.005 . 2 . . . . . . . . 5345 2 
       19 . 2 1  4  4 VAL HG22 H  1   1.190 0.005 . 2 . . . . . . . . 5345 2 
       20 . 2 1  4  4 VAL HG23 H  1   1.190 0.005 . 2 . . . . . . . . 5345 2 
       21 . 2 1  4  4 VAL CG1  C 13  22.400 0.005 . 1 . . . . . . . . 5345 2 
       22 . 2 1  4  4 VAL HG11 H  1   1.163 0.005 . 2 . . . . . . . . 5345 2 
       23 . 2 1  4  4 VAL HG12 H  1   1.163 0.005 . 2 . . . . . . . . 5345 2 
       24 . 2 1  4  4 VAL HG13 H  1   1.163 0.005 . 2 . . . . . . . . 5345 2 
       25 . 2 1  4  4 VAL C    C 13 176.200 0.005 . 1 . . . . . . . . 5345 2 
       26 . 2 1  5  5 THR N    N 15 118.200 0.005 . 1 . . . . . . . . 5345 2 
       27 . 2 1  5  5 THR H    H  1   9.685 0.005 . 1 . . . . . . . . 5345 2 
       28 . 2 1  5  5 THR CA   C 13  60.368 0.005 . 1 . . . . . . . . 5345 2 
       29 . 2 1  5  5 THR HA   H  1   5.342 0.005 . 1 . . . . . . . . 5345 2 
       30 . 2 1  5  5 THR CB   C 13  73.830 0.005 . 1 . . . . . . . . 5345 2 
       31 . 2 1  5  5 THR HB   H  1   5.080 0.005 . 1 . . . . . . . . 5345 2 
       32 . 2 1  5  5 THR CG2  C 13  21.900 0.005 . 1 . . . . . . . . 5345 2 
       33 . 2 1  5  5 THR HG21 H  1   1.610 0.005 . 1 . . . . . . . . 5345 2 
       34 . 2 1  5  5 THR HG22 H  1   1.610 0.005 . 1 . . . . . . . . 5345 2 
       35 . 2 1  5  5 THR HG23 H  1   1.610 0.005 . 1 . . . . . . . . 5345 2 
       36 . 2 1  5  5 THR C    C 13 176.962 0.005 . 1 . . . . . . . . 5345 2 
       37 . 2 1  6  6 LEU N    N 15 121.950 0.005 . 1 . . . . . . . . 5345 2 
       38 . 2 1  6  6 LEU H    H  1  10.716 0.005 . 1 . . . . . . . . 5345 2 
       39 . 2 1  6  6 LEU CA   C 13  58.100 0.005 . 1 . . . . . . . . 5345 2 
       40 . 2 1  6  6 LEU HA   H  1   3.580 0.005 . 1 . . . . . . . . 5345 2 
       41 . 2 1  6  6 LEU CB   C 13  42.470 0.005 . 1 . . . . . . . . 5345 2 
       42 . 2 1  6  6 LEU HB3  H  1   1.829 0.005 . 1 . . . . . . . . 5345 2 
       43 . 2 1  6  6 LEU HB2  H  1   1.829 0.005 . 1 . . . . . . . . 5345 2 
       44 . 2 1  6  6 LEU CG   C 13  26.800 0.005 . 1 . . . . . . . . 5345 2 
       45 . 2 1  6  6 LEU HG   H  1   2.073 0.005 . 1 . . . . . . . . 5345 2 
       46 . 2 1  6  6 LEU CD1  C 13  21.900 0.005 . 1 . . . . . . . . 5345 2 
       47 . 2 1  6  6 LEU HD11 H  1   0.161 0.005 . 2 . . . . . . . . 5345 2 
       48 . 2 1  6  6 LEU HD12 H  1   0.161 0.005 . 2 . . . . . . . . 5345 2 
       49 . 2 1  6  6 LEU HD13 H  1   0.161 0.005 . 2 . . . . . . . . 5345 2 
       50 . 2 1  6  6 LEU CD2  C 13  26.800 0.005 . 1 . . . . . . . . 5345 2 
       51 . 2 1  6  6 LEU HD21 H  1   0.870 0.005 . 2 . . . . . . . . 5345 2 
       52 . 2 1  6  6 LEU HD22 H  1   0.870 0.005 . 2 . . . . . . . . 5345 2 
       53 . 2 1  6  6 LEU HD23 H  1   0.870 0.005 . 2 . . . . . . . . 5345 2 
       54 . 2 1  6  6 LEU C    C 13 179.793 0.005 . 1 . . . . . . . . 5345 2 
       55 . 2 1  7  7 TYR N    N 15 115.950 0.005 . 1 . . . . . . . . 5345 2 
       56 . 2 1  7  7 TYR H    H  1   7.674 0.005 . 1 . . . . . . . . 5345 2 
       57 . 2 1  7  7 TYR CA   C 13  62.228 0.005 . 1 . . . . . . . . 5345 2 
       58 . 2 1  7  7 TYR HA   H  1   4.220 0.005 . 1 . . . . . . . . 5345 2 
       59 . 2 1  7  7 TYR CB   C 13  37.640 0.005 . 1 . . . . . . . . 5345 2 
       60 . 2 1  7  7 TYR HB3  H  1   2.860 0.005 . 2 . . . . . . . . 5345 2 
       61 . 2 1  7  7 TYR HB2  H  1   3.160 0.005 . 2 . . . . . . . . 5345 2 
       62 . 2 1  7  7 TYR HD1  H  1   7.134 0.005 . 1 . . . . . . . . 5345 2 
       63 . 2 1  7  7 TYR HE1  H  1   6.310 0.005 . 1 . . . . . . . . 5345 2 
       64 . 2 1  7  7 TYR HE2  H  1   6.310 0.005 . 1 . . . . . . . . 5345 2 
       65 . 2 1  7  7 TYR HD2  H  1   7.134 0.005 . 1 . . . . . . . . 5345 2 
       66 . 2 1  7  7 TYR C    C 13 179.069 0.005 . 1 . . . . . . . . 5345 2 
       67 . 2 1  8  8 ASP N    N 15 121.391 0.005 . 1 . . . . . . . . 5345 2 
       68 . 2 1  8  8 ASP H    H  1   7.572 0.005 . 1 . . . . . . . . 5345 2 
       69 . 2 1  8  8 ASP CA   C 13  57.790 0.005 . 1 . . . . . . . . 5345 2 
       70 . 2 1  8  8 ASP HA   H  1   4.527 0.005 . 1 . . . . . . . . 5345 2 
       71 . 2 1  8  8 ASP CB   C 13  38.900 0.005 . 1 . . . . . . . . 5345 2 
       72 . 2 1  8  8 ASP HB3  H  1   2.810 0.005 . 2 . . . . . . . . 5345 2 
       73 . 2 1  8  8 ASP HB2  H  1   3.263 0.005 . 2 . . . . . . . . 5345 2 
       74 . 2 1  8  8 ASP C    C 13 179.614 0.005 . 1 . . . . . . . . 5345 2 
       75 . 2 1  9  9 VAL N    N 15 121.120 0.005 . 1 . . . . . . . . 5345 2 
       76 . 2 1  9  9 VAL H    H  1   8.004 0.005 . 1 . . . . . . . . 5345 2 
       77 . 2 1  9  9 VAL CA   C 13  66.746 0.005 . 1 . . . . . . . . 5345 2 
       78 . 2 1  9  9 VAL HA   H  1   3.285 0.005 . 1 . . . . . . . . 5345 2 
       79 . 2 1  9  9 VAL CB   C 13  31.300 0.005 . 1 . . . . . . . . 5345 2 
       80 . 2 1  9  9 VAL HB   H  1   1.710 0.005 . 1 . . . . . . . . 5345 2 
       81 . 2 1  9  9 VAL CG2  C 13  22.600 0.005 . 1 . . . . . . . . 5345 2 
       82 . 2 1  9  9 VAL HG21 H  1   0.640 0.005 . 2 . . . . . . . . 5345 2 
       83 . 2 1  9  9 VAL HG22 H  1   0.640 0.005 . 2 . . . . . . . . 5345 2 
       84 . 2 1  9  9 VAL HG23 H  1   0.640 0.005 . 2 . . . . . . . . 5345 2 
       85 . 2 1  9  9 VAL CG1  C 13  22.400 0.005 . 1 . . . . . . . . 5345 2 
       86 . 2 1  9  9 VAL HG11 H  1   0.725 0.005 . 2 . . . . . . . . 5345 2 
       87 . 2 1  9  9 VAL HG12 H  1   0.725 0.005 . 2 . . . . . . . . 5345 2 
       88 . 2 1  9  9 VAL HG13 H  1   0.725 0.005 . 2 . . . . . . . . 5345 2 
       89 . 2 1  9  9 VAL C    C 13 176.821 0.005 . 1 . . . . . . . . 5345 2 
       90 . 2 1 10 10 ALA N    N 15 121.620 0.005 . 1 . . . . . . . . 5345 2 
       91 . 2 1 10 10 ALA H    H  1   7.967 0.005 . 1 . . . . . . . . 5345 2 
       92 . 2 1 10 10 ALA CA   C 13  56.196 0.005 . 1 . . . . . . . . 5345 2 
       93 . 2 1 10 10 ALA HA   H  1   3.593 0.005 . 1 . . . . . . . . 5345 2 
       94 . 2 1 10 10 ALA CB   C 13  17.040 0.005 . 1 . . . . . . . . 5345 2 
       95 . 2 1 10 10 ALA HB1  H  1   1.540 0.005 . 1 . . . . . . . . 5345 2 
       96 . 2 1 10 10 ALA HB2  H  1   1.540 0.005 . 1 . . . . . . . . 5345 2 
       97 . 2 1 10 10 ALA HB3  H  1   1.540 0.005 . 1 . . . . . . . . 5345 2 
       98 . 2 1 10 10 ALA C    C 13 178.802 0.005 . 1 . . . . . . . . 5345 2 
       99 . 2 1 11 11 GLU N    N 15 116.750 0.005 . 1 . . . . . . . . 5345 2 
      100 . 2 1 11 11 GLU H    H  1   7.605 0.005 . 1 . . . . . . . . 5345 2 
      101 . 2 1 11 11 GLU CA   C 13  59.481 0.005 . 1 . . . . . . . . 5345 2 
      102 . 2 1 11 11 GLU HA   H  1   4.127 0.005 . 1 . . . . . . . . 5345 2 
      103 . 2 1 11 11 GLU CB   C 13  29.700 0.005 . 1 . . . . . . . . 5345 2 
      104 . 2 1 11 11 GLU HB3  H  1   2.210 0.005 . 2 . . . . . . . . 5345 2 
      105 . 2 1 11 11 GLU HB2  H  1   2.256 0.005 . 2 . . . . . . . . 5345 2 
      106 . 2 1 11 11 GLU CG   C 13  36.400 0.005 . 1 . . . . . . . . 5345 2 
      107 . 2 1 11 11 GLU HG3  H  1   2.330 0.005 . 2 . . . . . . . . 5345 2 
      108 . 2 1 11 11 GLU HG2  H  1   2.440 0.005 . 2 . . . . . . . . 5345 2 
      109 . 2 1 11 11 GLU C    C 13 179.408 0.005 . 1 . . . . . . . . 5345 2 
      110 . 2 1 12 12 TYR N    N 15 120.600 0.005 . 1 . . . . . . . . 5345 2 
      111 . 2 1 12 12 TYR H    H  1   8.162 0.005 . 1 . . . . . . . . 5345 2 
      112 . 2 1 12 12 TYR CA   C 13  61.376 0.005 . 1 . . . . . . . . 5345 2 
      113 . 2 1 12 12 TYR HA   H  1   4.160 0.005 . 1 . . . . . . . . 5345 2 
      114 . 2 1 12 12 TYR CB   C 13  40.000 0.005 . 1 . . . . . . . . 5345 2 
      115 . 2 1 12 12 TYR HB3  H  1   2.985 0.005 . 2 . . . . . . . . 5345 2 
      116 . 2 1 12 12 TYR HB2  H  1   3.240 0.005 . 2 . . . . . . . . 5345 2 
      117 . 2 1 12 12 TYR HD1  H  1   7.058 0.005 . 1 . . . . . . . . 5345 2 
      118 . 2 1 12 12 TYR HE1  H  1   6.830 0.005 . 1 . . . . . . . . 5345 2 
      119 . 2 1 12 12 TYR HE2  H  1   6.830 0.005 . 1 . . . . . . . . 5345 2 
      120 . 2 1 12 12 TYR HD2  H  1   7.058 0.005 . 1 . . . . . . . . 5345 2 
      121 . 2 1 12 12 TYR C    C 13 177.768 0.005 . 1 . . . . . . . . 5345 2 
      122 . 2 1 13 13 ALA N    N 15 118.080 0.005 . 1 . . . . . . . . 5345 2 
      123 . 2 1 13 13 ALA H    H  1   8.564 0.005 . 1 . . . . . . . . 5345 2 
      124 . 2 1 13 13 ALA CA   C 13  52.523 0.005 . 1 . . . . . . . . 5345 2 
      125 . 2 1 13 13 ALA HA   H  1   4.240 0.005 . 1 . . . . . . . . 5345 2 
      126 . 2 1 13 13 ALA CB   C 13  19.200 0.005 . 1 . . . . . . . . 5345 2 
      127 . 2 1 13 13 ALA HB1  H  1   1.335 0.005 . 1 . . . . . . . . 5345 2 
      128 . 2 1 13 13 ALA HB2  H  1   1.335 0.005 . 1 . . . . . . . . 5345 2 
      129 . 2 1 13 13 ALA HB3  H  1   1.335 0.005 . 1 . . . . . . . . 5345 2 
      130 . 2 1 13 13 ALA C    C 13 177.109 0.005 . 1 . . . . . . . . 5345 2 
      131 . 2 1 14 14 GLY N    N 15 107.700 0.005 . 1 . . . . . . . . 5345 2 
      132 . 2 1 14 14 GLY H    H  1   7.998 0.005 . 1 . . . . . . . . 5345 2 
      133 . 2 1 14 14 GLY CA   C 13  46.861 0.005 . 1 . . . . . . . . 5345 2 
      134 . 2 1 14 14 GLY HA3  H  1   3.970 0.005 . 1 . . . . . . . . 5345 2 
      135 . 2 1 14 14 GLY HA2  H  1   3.970 0.005 . 1 . . . . . . . . 5345 2 
      136 . 2 1 14 14 GLY C    C 13 175.242 0.005 . 1 . . . . . . . . 5345 2 
      137 . 2 1 15 15 VAL N    N 15 110.674 0.005 . 1 . . . . . . . . 5345 2 
      138 . 2 1 15 15 VAL H    H  1   7.800 0.005 . 1 . . . . . . . . 5345 2 
      139 . 2 1 15 15 VAL CA   C 13  58.270 0.005 . 1 . . . . . . . . 5345 2 
      140 . 2 1 15 15 VAL HA   H  1   5.066 0.005 . 1 . . . . . . . . 5345 2 
      141 . 2 1 15 15 VAL CB   C 13  34.850 0.005 . 1 . . . . . . . . 5345 2 
      142 . 2 1 15 15 VAL HB   H  1   2.414 0.005 . 1 . . . . . . . . 5345 2 
      143 . 2 1 15 15 VAL CG2  C 13  19.000 0.005 . 1 . . . . . . . . 5345 2 
      144 . 2 1 15 15 VAL HG21 H  1   0.670 0.005 . 2 . . . . . . . . 5345 2 
      145 . 2 1 15 15 VAL HG22 H  1   0.670 0.005 . 2 . . . . . . . . 5345 2 
      146 . 2 1 15 15 VAL HG23 H  1   0.670 0.005 . 2 . . . . . . . . 5345 2 
      147 . 2 1 15 15 VAL CG1  C 13  21.240 0.005 . 1 . . . . . . . . 5345 2 
      148 . 2 1 15 15 VAL HG11 H  1   0.860 0.005 . 2 . . . . . . . . 5345 2 
      149 . 2 1 15 15 VAL HG12 H  1   0.860 0.005 . 2 . . . . . . . . 5345 2 
      150 . 2 1 15 15 VAL HG13 H  1   0.860 0.005 . 2 . . . . . . . . 5345 2 
      151 . 2 1 15 15 VAL C    C 13 174.406 0.005 . 1 . . . . . . . . 5345 2 
      152 . 2 1 16 16 SER N    N 15 114.500 0.005 . 1 . . . . . . . . 5345 2 
      153 . 2 1 16 16 SER H    H  1   8.704 0.005 . 1 . . . . . . . . 5345 2 
      154 . 2 1 16 16 SER CA   C 13  58.628 0.005 . 1 . . . . . . . . 5345 2 
      155 . 2 1 16 16 SER HA   H  1   5.056 0.005 . 1 . . . . . . . . 5345 2 
      156 . 2 1 16 16 SER HB3  H  1   3.350 0.005 . 1 . . . . . . . . 5345 2 
      157 . 2 1 16 16 SER HB2  H  1   3.350 0.005 . 1 . . . . . . . . 5345 2 
      158 . 2 1 16 16 SER C    C 13 176.088 0.005 . 1 . . . . . . . . 5345 2 
      159 . 2 1 17 17 TYR N    N 15 123.200 0.005 . 1 . . . . . . . . 5345 2 
      160 . 2 1 17 17 TYR H    H  1   9.034 0.005 . 1 . . . . . . . . 5345 2 
      161 . 2 1 17 17 TYR CA   C 13  61.915 0.005 . 1 . . . . . . . . 5345 2 
      162 . 2 1 17 17 TYR HA   H  1   3.750 0.005 . 1 . . . . . . . . 5345 2 
      163 . 2 1 17 17 TYR CB   C 13  37.640 0.005 . 1 . . . . . . . . 5345 2 
      164 . 2 1 17 17 TYR HB3  H  1   2.990 0.005 . 1 . . . . . . . . 5345 2 
      165 . 2 1 17 17 TYR HB2  H  1   2.990 0.005 . 1 . . . . . . . . 5345 2 
      166 . 2 1 17 17 TYR HD1  H  1   7.160 0.005 . 1 . . . . . . . . 5345 2 
      167 . 2 1 17 17 TYR HE1  H  1   6.297 0.005 . 1 . . . . . . . . 5345 2 
      168 . 2 1 17 17 TYR HH   H  1   9.100 0.005 . 1 . . . . . . . . 5345 2 
      169 . 2 1 17 17 TYR HE2  H  1   6.297 0.005 . 1 . . . . . . . . 5345 2 
      170 . 2 1 17 17 TYR HD2  H  1   7.160 0.005 . 1 . . . . . . . . 5345 2 
      171 . 2 1 17 17 TYR C    C 13 176.633 0.005 . 1 . . . . . . . . 5345 2 
      172 . 2 1 18 18 GLN N    N 15 118.790 0.005 . 1 . . . . . . . . 5345 2 
      173 . 2 1 18 18 GLN H    H  1   8.107 0.005 . 1 . . . . . . . . 5345 2 
      174 . 2 1 18 18 GLN CA   C 13  59.104 0.005 . 1 . . . . . . . . 5345 2 
      175 . 2 1 18 18 GLN HA   H  1   4.265 0.005 . 1 . . . . . . . . 5345 2 
      176 . 2 1 18 18 GLN CB   C 13  28.630 0.005 . 1 . . . . . . . . 5345 2 
      177 . 2 1 18 18 GLN HB3  H  1   2.340 0.005 . 2 . . . . . . . . 5345 2 
      178 . 2 1 18 18 GLN HB2  H  1   2.014 0.005 . 2 . . . . . . . . 5345 2 
      179 . 2 1 18 18 GLN HG3  H  1   2.464 0.005 . 2 . . . . . . . . 5345 2 
      180 . 2 1 18 18 GLN HG2  H  1   2.240 0.005 . 2 . . . . . . . . 5345 2 
      181 . 2 1 18 18 GLN NE2  N 15 109.600 0.005 . 1 . . . . . . . . 5345 2 
      182 . 2 1 18 18 GLN HE21 H  1   7.120 0.005 . 2 . . . . . . . . 5345 2 
      183 . 2 1 18 18 GLN HE22 H  1   7.310 0.005 . 2 . . . . . . . . 5345 2 
      184 . 2 1 18 18 GLN C    C 13 177.675 0.005 . 1 . . . . . . . . 5345 2 
      185 . 2 1 19 19 THR N    N 15 117.400 0.005 . 1 . . . . . . . . 5345 2 
      186 . 2 1 19 19 THR H    H  1   7.626 0.005 . 1 . . . . . . . . 5345 2 
      187 . 2 1 19 19 THR CA   C 13  66.167 0.005 . 1 . . . . . . . . 5345 2 
      188 . 2 1 19 19 THR HA   H  1   3.970 0.005 . 1 . . . . . . . . 5345 2 
      189 . 2 1 19 19 THR CB   C 13  67.040 0.005 . 1 . . . . . . . . 5345 2 
      190 . 2 1 19 19 THR HB   H  1   4.330 0.005 . 1 . . . . . . . . 5345 2 
      191 . 2 1 19 19 THR CG2  C 13  23.900 0.005 . 1 . . . . . . . . 5345 2 
      192 . 2 1 19 19 THR HG21 H  1   1.018 0.005 . 1 . . . . . . . . 5345 2 
      193 . 2 1 19 19 THR HG22 H  1   1.018 0.005 . 1 . . . . . . . . 5345 2 
      194 . 2 1 19 19 THR HG23 H  1   1.018 0.005 . 1 . . . . . . . . 5345 2 
      195 . 2 1 19 19 THR C    C 13 175.582 0.005 . 1 . . . . . . . . 5345 2 
      196 . 2 1 20 20 VAL N    N 15 120.850 0.005 . 1 . . . . . . . . 5345 2 
      197 . 2 1 20 20 VAL H    H  1   7.352 0.005 . 1 . . . . . . . . 5345 2 
      198 . 2 1 20 20 VAL CA   C 13  67.821 0.005 . 1 . . . . . . . . 5345 2 
      199 . 2 1 20 20 VAL HA   H  1   3.275 0.005 . 1 . . . . . . . . 5345 2 
      200 . 2 1 20 20 VAL CB   C 13  30.000 0.005 . 1 . . . . . . . . 5345 2 
      201 . 2 1 20 20 VAL HB   H  1   1.935 0.005 . 1 . . . . . . . . 5345 2 
      202 . 2 1 20 20 VAL CG2  C 13  21.000 0.005 . 1 . . . . . . . . 5345 2 
      203 . 2 1 20 20 VAL HG21 H  1   0.760 0.005 . 2 . . . . . . . . 5345 2 
      204 . 2 1 20 20 VAL HG22 H  1   0.760 0.005 . 2 . . . . . . . . 5345 2 
      205 . 2 1 20 20 VAL HG23 H  1   0.760 0.005 . 2 . . . . . . . . 5345 2 
      206 . 2 1 20 20 VAL CG1  C 13  21.000 0.005 . 1 . . . . . . . . 5345 2 
      207 . 2 1 20 20 VAL HG11 H  1   0.906 0.005 . 2 . . . . . . . . 5345 2 
      208 . 2 1 20 20 VAL HG12 H  1   0.906 0.005 . 2 . . . . . . . . 5345 2 
      209 . 2 1 20 20 VAL HG13 H  1   0.906 0.005 . 2 . . . . . . . . 5345 2 
      210 . 2 1 20 20 VAL C    C 13 177.144 0.005 . 1 . . . . . . . . 5345 2 
      211 . 2 1 21 21 SER N    N 15 113.000 0.005 . 1 . . . . . . . . 5345 2 
      212 . 2 1 21 21 SER H    H  1   8.284 0.005 . 1 . . . . . . . . 5345 2 
      213 . 2 1 21 21 SER CA   C 13  61.895 0.005 . 1 . . . . . . . . 5345 2 
      214 . 2 1 21 21 SER HA   H  1   3.370 0.005 . 1 . . . . . . . . 5345 2 
      215 . 2 1 21 21 SER HB3  H  1   3.590 0.005 . 1 . . . . . . . . 5345 2 
      216 . 2 1 21 21 SER HB2  H  1   3.590 0.005 . 1 . . . . . . . . 5345 2 
      217 . 2 1 21 21 SER C    C 13 178.490 0.005 . 1 . . . . . . . . 5345 2 
      218 . 2 1 22 22 ARG N    N 15 119.700 0.005 . 1 . . . . . . . . 5345 2 
      219 . 2 1 22 22 ARG H    H  1   8.373 0.005 . 1 . . . . . . . . 5345 2 
      220 . 2 1 22 22 ARG CA   C 13  59.972 0.005 . 1 . . . . . . . . 5345 2 
      221 . 2 1 22 22 ARG HA   H  1   3.890 0.005 . 1 . . . . . . . . 5345 2 
      222 . 2 1 22 22 ARG CB   C 13  30.340 0.005 . 1 . . . . . . . . 5345 2 
      223 . 2 1 22 22 ARG HB3  H  1   1.843 0.005 . 1 . . . . . . . . 5345 2 
      224 . 2 1 22 22 ARG HB2  H  1   1.843 0.005 . 1 . . . . . . . . 5345 2 
      225 . 2 1 22 22 ARG HG3  H  1   1.473 0.005 . 1 . . . . . . . . 5345 2 
      226 . 2 1 22 22 ARG HG2  H  1   1.473 0.005 . 1 . . . . . . . . 5345 2 
      227 . 2 1 22 22 ARG HD3  H  1   3.240 0.005 . 1 . . . . . . . . 5345 2 
      228 . 2 1 22 22 ARG HD2  H  1   3.240 0.005 . 1 . . . . . . . . 5345 2 
      229 . 2 1 22 22 ARG NE   N 15  88.900 0.005 . 1 . . . . . . . . 5345 2 
      230 . 2 1 22 22 ARG HE   H  1   1.150 0.005 . 1 . . . . . . . . 5345 2 
      231 . 2 1 22 22 ARG C    C 13 178.898 0.005 . 1 . . . . . . . . 5345 2 
      232 . 2 1 23 23 VAL N    N 15 119.530 0.005 . 1 . . . . . . . . 5345 2 
      233 . 2 1 23 23 VAL H    H  1   8.006 0.005 . 1 . . . . . . . . 5345 2 
      234 . 2 1 23 23 VAL CA   C 13  67.329 0.005 . 1 . . . . . . . . 5345 2 
      235 . 2 1 23 23 VAL HA   H  1   3.560 0.005 . 1 . . . . . . . . 5345 2 
      236 . 2 1 23 23 VAL CB   C 13  29.810 0.005 . 1 . . . . . . . . 5345 2 
      237 . 2 1 23 23 VAL HB   H  1   2.360 0.005 . 1 . . . . . . . . 5345 2 
      238 . 2 1 23 23 VAL CG2  C 13  21.100 0.005 . 1 . . . . . . . . 5345 2 
      239 . 2 1 23 23 VAL HG21 H  1   0.904 0.005 . 2 . . . . . . . . 5345 2 
      240 . 2 1 23 23 VAL HG22 H  1   0.904 0.005 . 2 . . . . . . . . 5345 2 
      241 . 2 1 23 23 VAL HG23 H  1   0.904 0.005 . 2 . . . . . . . . 5345 2 
      242 . 2 1 23 23 VAL CG1  C 13  24.700 0.005 . 1 . . . . . . . . 5345 2 
      243 . 2 1 23 23 VAL HG11 H  1   1.014 0.005 . 2 . . . . . . . . 5345 2 
      244 . 2 1 23 23 VAL HG12 H  1   1.014 0.005 . 2 . . . . . . . . 5345 2 
      245 . 2 1 23 23 VAL HG13 H  1   1.014 0.005 . 2 . . . . . . . . 5345 2 
      246 . 2 1 23 23 VAL C    C 13 179.530 0.005 . 1 . . . . . . . . 5345 2 
      247 . 2 1 24 24 VAL N    N 15 117.900 0.005 . 1 . . . . . . . . 5345 2 
      248 . 2 1 24 24 VAL H    H  1   8.217 0.005 . 1 . . . . . . . . 5345 2 
      249 . 2 1 24 24 VAL CA   C 13  65.871 0.005 . 1 . . . . . . . . 5345 2 
      250 . 2 1 24 24 VAL HA   H  1   3.830 0.005 . 1 . . . . . . . . 5345 2 
      251 . 2 1 24 24 VAL CB   C 13  31.950 0.005 . 1 . . . . . . . . 5345 2 
      252 . 2 1 24 24 VAL HB   H  1   2.139 0.005 . 1 . . . . . . . . 5345 2 
      253 . 2 1 24 24 VAL CG2  C 13  21.800 0.005 . 1 . . . . . . . . 5345 2 
      254 . 2 1 24 24 VAL HG21 H  1   0.983 0.005 . 2 . . . . . . . . 5345 2 
      255 . 2 1 24 24 VAL HG22 H  1   0.983 0.005 . 2 . . . . . . . . 5345 2 
      256 . 2 1 24 24 VAL HG23 H  1   0.983 0.005 . 2 . . . . . . . . 5345 2 
      257 . 2 1 24 24 VAL CG1  C 13  21.800 0.005 . 1 . . . . . . . . 5345 2 
      258 . 2 1 24 24 VAL HG11 H  1   0.925 0.005 . 2 . . . . . . . . 5345 2 
      259 . 2 1 24 24 VAL HG12 H  1   0.925 0.005 . 2 . . . . . . . . 5345 2 
      260 . 2 1 24 24 VAL HG13 H  1   0.925 0.005 . 2 . . . . . . . . 5345 2 
      261 . 2 1 24 24 VAL C    C 13 177.758 0.005 . 1 . . . . . . . . 5345 2 
      262 . 2 1 25 25 ASN N    N 15 115.600 0.005 . 1 . . . . . . . . 5345 2 
      263 . 2 1 25 25 ASN H    H  1   8.180 0.005 . 1 . . . . . . . . 5345 2 
      264 . 2 1 25 25 ASN CA   C 13  55.090 0.005 . 1 . . . . . . . . 5345 2 
      265 . 2 1 25 25 ASN HA   H  1   4.770 0.005 . 1 . . . . . . . . 5345 2 
      266 . 2 1 25 25 ASN CB   C 13  39.700 0.005 . 1 . . . . . . . . 5345 2 
      267 . 2 1 25 25 ASN HB3  H  1   2.690 0.005 . 2 . . . . . . . . 5345 2 
      268 . 2 1 25 25 ASN HB2  H  1   2.811 0.005 . 2 . . . . . . . . 5345 2 
      269 . 2 1 25 25 ASN ND2  N 15 116.704 0.005 . 1 . . . . . . . . 5345 2 
      270 . 2 1 25 25 ASN HD21 H  1   7.385 0.005 . 2 . . . . . . . . 5345 2 
      271 . 2 1 25 25 ASN HD22 H  1   7.235 0.005 . 2 . . . . . . . . 5345 2 
      272 . 2 1 25 25 ASN C    C 13 174.090 0.005 . 1 . . . . . . . . 5345 2 
      273 . 2 1 26 26 GLN N    N 15 117.181 0.005 . 1 . . . . . . . . 5345 2 
      274 . 2 1 26 26 GLN H    H  1   7.885 0.005 . 1 . . . . . . . . 5345 2 
      275 . 2 1 26 26 GLN CA   C 13  56.634 0.005 . 1 . . . . . . . . 5345 2 
      276 . 2 1 26 26 GLN HA   H  1   4.044 0.005 . 1 . . . . . . . . 5345 2 
      277 . 2 1 26 26 GLN CB   C 13  26.370 0.005 . 1 . . . . . . . . 5345 2 
      278 . 2 1 26 26 GLN HB3  H  1   2.190 0.005 . 1 . . . . . . . . 5345 2 
      279 . 2 1 26 26 GLN HB2  H  1   2.190 0.005 . 1 . . . . . . . . 5345 2 
      280 . 2 1 26 26 GLN CG   C 13  34.100 0.005 . 1 . . . . . . . . 5345 2 
      281 . 2 1 26 26 GLN HG3  H  1   2.266 0.005 . 1 . . . . . . . . 5345 2 
      282 . 2 1 26 26 GLN HG2  H  1   2.266 0.005 . 1 . . . . . . . . 5345 2 
      283 . 2 1 26 26 GLN NE2  N 15 112.100 0.005 . 1 . . . . . . . . 5345 2 
      284 . 2 1 26 26 GLN HE21 H  1   6.675 0.005 . 2 . . . . . . . . 5345 2 
      285 . 2 1 26 26 GLN HE22 H  1   7.373 0.005 . 2 . . . . . . . . 5345 2 
      286 . 2 1 26 26 GLN C    C 13 175.356 0.005 . 1 . . . . . . . . 5345 2 
      287 . 2 1 27 27 ALA N    N 15 121.651 0.005 . 1 . . . . . . . . 5345 2 
      288 . 2 1 27 27 ALA H    H  1   8.452 0.005 . 1 . . . . . . . . 5345 2 
      289 . 2 1 27 27 ALA CA   C 13  52.657 0.005 . 1 . . . . . . . . 5345 2 
      290 . 2 1 27 27 ALA HA   H  1   4.285 0.005 . 1 . . . . . . . . 5345 2 
      291 . 2 1 27 27 ALA CB   C 13  19.900 0.005 . 1 . . . . . . . . 5345 2 
      292 . 2 1 27 27 ALA HB1  H  1   1.420 0.005 . 1 . . . . . . . . 5345 2 
      293 . 2 1 27 27 ALA HB2  H  1   1.420 0.005 . 1 . . . . . . . . 5345 2 
      294 . 2 1 27 27 ALA HB3  H  1   1.420 0.005 . 1 . . . . . . . . 5345 2 
      295 . 2 1 27 27 ALA C    C 13 178.156 0.005 . 1 . . . . . . . . 5345 2 
      296 . 2 1 28 28 SER N    N 15 112.889 0.005 . 1 . . . . . . . . 5345 2 
      297 . 2 1 28 28 SER H    H  1   8.068 0.005 . 1 . . . . . . . . 5345 2 
      298 . 2 1 28 28 SER CA   C 13  59.372 0.005 . 1 . . . . . . . . 5345 2 
      299 . 2 1 28 28 SER HA   H  1   4.200 0.005 . 1 . . . . . . . . 5345 2 
      300 . 2 1 28 28 SER CB   C 13  63.820 0.005 . 1 . . . . . . . . 5345 2 
      301 . 2 1 28 28 SER HB3  H  1   3.504 0.005 . 1 . . . . . . . . 5345 2 
      302 . 2 1 28 28 SER HB2  H  1   3.504 0.005 . 1 . . . . . . . . 5345 2 
      303 . 2 1 28 28 SER C    C 13 174.317 0.005 . 1 . . . . . . . . 5345 2 
      304 . 2 1 29 29 HIS N    N 15 113.780 0.005 . 1 . . . . . . . . 5345 2 
      305 . 2 1 29 29 HIS H    H  1   8.298 0.005 . 1 . . . . . . . . 5345 2 
      306 . 2 1 29 29 HIS CA   C 13  55.660 0.005 . 1 . . . . . . . . 5345 2 
      307 . 2 1 29 29 HIS HA   H  1   4.965 0.005 . 1 . . . . . . . . 5345 2 
      308 . 2 1 29 29 HIS HB3  H  1   2.650 0.005 . 2 . . . . . . . . 5345 2 
      309 . 2 1 29 29 HIS HB2  H  1   3.257 0.005 . 2 . . . . . . . . 5345 2 
      310 . 2 1 29 29 HIS HD2  H  1   7.430 0.005 . 1 . . . . . . . . 5345 2 
      311 . 2 1 29 29 HIS HE1  H  1   8.750 0.005 . 1 . . . . . . . . 5345 2 
      312 . 2 1 29 29 HIS C    C 13 173.690 0.005 . 1 . . . . . . . . 5345 2 
      313 . 2 1 30 30 VAL N    N 15 119.422 0.005 . 1 . . . . . . . . 5345 2 
      314 . 2 1 30 30 VAL H    H  1   7.652 0.005 . 1 . . . . . . . . 5345 2 
      315 . 2 1 30 30 VAL CA   C 13  60.780 0.005 . 1 . . . . . . . . 5345 2 
      316 . 2 1 30 30 VAL HA   H  1   4.960 0.005 . 1 . . . . . . . . 5345 2 
      317 . 2 1 30 30 VAL CB   C 13  33.600 0.005 . 1 . . . . . . . . 5345 2 
      318 . 2 1 30 30 VAL HB   H  1   1.776 0.005 . 1 . . . . . . . . 5345 2 
      319 . 2 1 30 30 VAL CG2  C 13  21.500 0.005 . 1 . . . . . . . . 5345 2 
      320 . 2 1 30 30 VAL HG21 H  1   0.750 0.005 . 2 . . . . . . . . 5345 2 
      321 . 2 1 30 30 VAL HG22 H  1   0.750 0.005 . 2 . . . . . . . . 5345 2 
      322 . 2 1 30 30 VAL HG23 H  1   0.750 0.005 . 2 . . . . . . . . 5345 2 
      323 . 2 1 30 30 VAL CG1  C 13  21.900 0.005 . 1 . . . . . . . . 5345 2 
      324 . 2 1 30 30 VAL HG11 H  1   0.970 0.005 . 2 . . . . . . . . 5345 2 
      325 . 2 1 30 30 VAL HG12 H  1   0.970 0.005 . 2 . . . . . . . . 5345 2 
      326 . 2 1 30 30 VAL HG13 H  1   0.970 0.005 . 2 . . . . . . . . 5345 2 
      327 . 2 1 30 30 VAL C    C 13 176.833 0.005 . 1 . . . . . . . . 5345 2 
      328 . 2 1 31 31 SER N    N 15 126.680 0.005 . 1 . . . . . . . . 5345 2 
      329 . 2 1 31 31 SER H    H  1   9.902 0.005 . 1 . . . . . . . . 5345 2 
      330 . 2 1 31 31 SER CA   C 13  58.897 0.005 . 1 . . . . . . . . 5345 2 
      331 . 2 1 31 31 SER HA   H  1   4.494 0.005 . 1 . . . . . . . . 5345 2 
      332 . 2 1 31 31 SER CB   C 13  64.790 0.005 . 1 . . . . . . . . 5345 2 
      333 . 2 1 31 31 SER HB3  H  1   3.990 0.005 . 2 . . . . . . . . 5345 2 
      334 . 2 1 31 31 SER HB2  H  1   4.260 0.005 . 2 . . . . . . . . 5345 2 
      335 . 2 1 31 31 SER C    C 13 174.521 0.005 . 1 . . . . . . . . 5345 2 
      336 . 2 1 32 32 ALA N    N 15 125.300 0.005 . 1 . . . . . . . . 5345 2 
      337 . 2 1 32 32 ALA H    H  1   8.874 0.005 . 1 . . . . . . . . 5345 2 
      338 . 2 1 32 32 ALA CA   C 13  55.943 0.005 . 1 . . . . . . . . 5345 2 
      339 . 2 1 32 32 ALA HA   H  1   4.045 0.005 . 1 . . . . . . . . 5345 2 
      340 . 2 1 32 32 ALA CB   C 13  18.110 0.005 . 1 . . . . . . . . 5345 2 
      341 . 2 1 32 32 ALA HB1  H  1   1.482 0.005 . 1 . . . . . . . . 5345 2 
      342 . 2 1 32 32 ALA HB2  H  1   1.482 0.005 . 1 . . . . . . . . 5345 2 
      343 . 2 1 32 32 ALA HB3  H  1   1.482 0.005 . 1 . . . . . . . . 5345 2 
      344 . 2 1 32 32 ALA C    C 13 180.510 0.005 . 1 . . . . . . . . 5345 2 
      345 . 2 1 33 33 LYS N    N 15 116.700 0.005 . 1 . . . . . . . . 5345 2 
      346 . 2 1 33 33 LYS H    H  1   8.308 0.005 . 1 . . . . . . . . 5345 2 
      347 . 2 1 33 33 LYS CA   C 13  59.141 0.005 . 1 . . . . . . . . 5345 2 
      348 . 2 1 33 33 LYS HA   H  1   4.115 0.005 . 1 . . . . . . . . 5345 2 
      349 . 2 1 33 33 LYS CB   C 13  31.900 0.005 . 1 . . . . . . . . 5345 2 
      350 . 2 1 33 33 LYS HB3  H  1   1.794 0.005 . 2 . . . . . . . . 5345 2 
      351 . 2 1 33 33 LYS HB2  H  1   1.883 0.005 . 2 . . . . . . . . 5345 2 
      352 . 2 1 33 33 LYS CG   C 13  24.700 0.005 . 1 . . . . . . . . 5345 2 
      353 . 2 1 33 33 LYS HG3  H  1   1.500 0.005 . 1 . . . . . . . . 5345 2 
      354 . 2 1 33 33 LYS HG2  H  1   1.500 0.005 . 1 . . . . . . . . 5345 2 
      355 . 2 1 33 33 LYS CD   C 13  28.900 0.005 . 1 . . . . . . . . 5345 2 
      356 . 2 1 33 33 LYS HD3  H  1   1.695 0.005 . 1 . . . . . . . . 5345 2 
      357 . 2 1 33 33 LYS HD2  H  1   1.695 0.005 . 1 . . . . . . . . 5345 2 
      358 . 2 1 33 33 LYS HE3  H  1   2.979 0.005 . 1 . . . . . . . . 5345 2 
      359 . 2 1 33 33 LYS HE2  H  1   2.979 0.005 . 1 . . . . . . . . 5345 2 
      360 . 2 1 33 33 LYS C    C 13 179.414 0.005 . 1 . . . . . . . . 5345 2 
      361 . 2 1 34 34 THR N    N 15 121.100 0.005 . 1 . . . . . . . . 5345 2 
      362 . 2 1 34 34 THR H    H  1   7.809 0.005 . 1 . . . . . . . . 5345 2 
      363 . 2 1 34 34 THR CA   C 13  66.806 0.005 . 1 . . . . . . . . 5345 2 
      364 . 2 1 34 34 THR HA   H  1   3.789 0.005 . 1 . . . . . . . . 5345 2 
      365 . 2 1 34 34 THR CB   C 13  67.300 0.005 . 1 . . . . . . . . 5345 2 
      366 . 2 1 34 34 THR HB   H  1   4.240 0.005 . 1 . . . . . . . . 5345 2 
      367 . 2 1 34 34 THR CG2  C 13  24.400 0.005 . 1 . . . . . . . . 5345 2 
      368 . 2 1 34 34 THR HG21 H  1   1.018 0.005 . 1 . . . . . . . . 5345 2 
      369 . 2 1 34 34 THR HG22 H  1   1.018 0.005 . 1 . . . . . . . . 5345 2 
      370 . 2 1 34 34 THR HG23 H  1   1.018 0.005 . 1 . . . . . . . . 5345 2 
      371 . 2 1 34 34 THR C    C 13 175.709 0.005 . 1 . . . . . . . . 5345 2 
      372 . 2 1 35 35 ARG N    N 15 123.200 0.005 . 1 . . . . . . . . 5345 2 
      373 . 2 1 35 35 ARG H    H  1   8.679 0.005 . 1 . . . . . . . . 5345 2 
      374 . 2 1 35 35 ARG CA   C 13  60.973 0.005 . 1 . . . . . . . . 5345 2 
      375 . 2 1 35 35 ARG HA   H  1   3.760 0.005 . 1 . . . . . . . . 5345 2 
      376 . 2 1 35 35 ARG CB   C 13  29.700 0.005 . 1 . . . . . . . . 5345 2 
      377 . 2 1 35 35 ARG HB3  H  1   1.854 0.005 . 1 . . . . . . . . 5345 2 
      378 . 2 1 35 35 ARG HB2  H  1   1.854 0.005 . 1 . . . . . . . . 5345 2 
      379 . 2 1 35 35 ARG CG   C 13  27.950 0.005 . 1 . . . . . . . . 5345 2 
      380 . 2 1 35 35 ARG HG3  H  1   1.510 0.005 . 1 . . . . . . . . 5345 2 
      381 . 2 1 35 35 ARG HG2  H  1   1.510 0.005 . 1 . . . . . . . . 5345 2 
      382 . 2 1 35 35 ARG CD   C 13  44.000 0.005 . 1 . . . . . . . . 5345 2 
      383 . 2 1 35 35 ARG HD3  H  1   3.240 0.005 . 1 . . . . . . . . 5345 2 
      384 . 2 1 35 35 ARG HD2  H  1   3.240 0.005 . 1 . . . . . . . . 5345 2 
      385 . 2 1 35 35 ARG NE   N 15  89.000 0.005 . 1 . . . . . . . . 5345 2 
      386 . 2 1 35 35 ARG HE   H  1   7.010 0.005 . 1 . . . . . . . . 5345 2 
      387 . 2 1 35 35 ARG C    C 13 178.003 0.005 . 1 . . . . . . . . 5345 2 
      388 . 2 1 36 36 GLU N    N 15 117.571 0.005 . 1 . . . . . . . . 5345 2 
      389 . 2 1 36 36 GLU H    H  1   8.179 0.005 . 1 . . . . . . . . 5345 2 
      390 . 2 1 36 36 GLU CA   C 13  59.829 0.005 . 1 . . . . . . . . 5345 2 
      391 . 2 1 36 36 GLU HA   H  1   4.010 0.005 . 1 . . . . . . . . 5345 2 
      392 . 2 1 36 36 GLU CB   C 13  29.700 0.005 . 1 . . . . . . . . 5345 2 
      393 . 2 1 36 36 GLU HB3  H  1   2.130 0.005 . 1 . . . . . . . . 5345 2 
      394 . 2 1 36 36 GLU HB2  H  1   2.130 0.005 . 1 . . . . . . . . 5345 2 
      395 . 2 1 36 36 GLU CG   C 13  36.400 0.005 . 1 . . . . . . . . 5345 2 
      396 . 2 1 36 36 GLU HG3  H  1   2.250 0.005 . 2 . . . . . . . . 5345 2 
      397 . 2 1 36 36 GLU HG2  H  1   2.461 0.005 . 2 . . . . . . . . 5345 2 
      398 . 2 1 36 36 GLU C    C 13 179.376 0.005 . 1 . . . . . . . . 5345 2 
      399 . 2 1 37 37 LYS N    N 15 120.062 0.005 . 1 . . . . . . . . 5345 2 
      400 . 2 1 37 37 LYS H    H  1   7.694 0.005 . 1 . . . . . . . . 5345 2 
      401 . 2 1 37 37 LYS CA   C 13  59.709 0.005 . 1 . . . . . . . . 5345 2 
      402 . 2 1 37 37 LYS HA   H  1   4.260 0.005 . 1 . . . . . . . . 5345 2 
      403 . 2 1 37 37 LYS CB   C 13  32.800 0.005 . 1 . . . . . . . . 5345 2 
      404 . 2 1 37 37 LYS HB3  H  1   1.980 0.005 . 2 . . . . . . . . 5345 2 
      405 . 2 1 37 37 LYS HB2  H  1   2.070 0.005 . 2 . . . . . . . . 5345 2 
      406 . 2 1 37 37 LYS CG   C 13  24.800 0.005 . 1 . . . . . . . . 5345 2 
      407 . 2 1 37 37 LYS HG3  H  1   1.510 0.005 . 2 . . . . . . . . 5345 2 
      408 . 2 1 37 37 LYS HG2  H  1   1.670 0.005 . 2 . . . . . . . . 5345 2 
      409 . 2 1 37 37 LYS CD   C 13  29.700 0.005 . 1 . . . . . . . . 5345 2 
      410 . 2 1 37 37 LYS HD3  H  1   1.792 0.005 . 1 . . . . . . . . 5345 2 
      411 . 2 1 37 37 LYS HD2  H  1   1.792 0.005 . 1 . . . . . . . . 5345 2 
      412 . 2 1 37 37 LYS HE3  H  1   2.970 0.005 . 1 . . . . . . . . 5345 2 
      413 . 2 1 37 37 LYS HE2  H  1   2.970 0.005 . 1 . . . . . . . . 5345 2 
      414 . 2 1 37 37 LYS C    C 13 179.752 0.005 . 1 . . . . . . . . 5345 2 
      415 . 2 1 38 38 VAL N    N 15 120.731 0.005 . 1 . . . . . . . . 5345 2 
      416 . 2 1 38 38 VAL H    H  1   8.162 0.005 . 1 . . . . . . . . 5345 2 
      417 . 2 1 38 38 VAL CA   C 13  67.442 0.005 . 1 . . . . . . . . 5345 2 
      418 . 2 1 38 38 VAL HA   H  1   3.443 0.005 . 1 . . . . . . . . 5345 2 
      419 . 2 1 38 38 VAL CB   C 13  31.850 0.005 . 1 . . . . . . . . 5345 2 
      420 . 2 1 38 38 VAL HB   H  1   2.170 0.005 . 1 . . . . . . . . 5345 2 
      421 . 2 1 38 38 VAL CG2  C 13  22.700 0.005 . 1 . . . . . . . . 5345 2 
      422 . 2 1 38 38 VAL HG21 H  1   0.872 0.005 . 2 . . . . . . . . 5345 2 
      423 . 2 1 38 38 VAL HG22 H  1   0.872 0.005 . 2 . . . . . . . . 5345 2 
      424 . 2 1 38 38 VAL HG23 H  1   0.872 0.005 . 2 . . . . . . . . 5345 2 
      425 . 2 1 38 38 VAL CG1  C 13  24.300 0.005 . 1 . . . . . . . . 5345 2 
      426 . 2 1 38 38 VAL HG11 H  1   0.895 0.005 . 2 . . . . . . . . 5345 2 
      427 . 2 1 38 38 VAL HG12 H  1   0.895 0.005 . 2 . . . . . . . . 5345 2 
      428 . 2 1 38 38 VAL HG13 H  1   0.895 0.005 . 2 . . . . . . . . 5345 2 
      429 . 2 1 38 38 VAL C    C 13 177.686 0.005 . 1 . . . . . . . . 5345 2 
      430 . 2 1 39 39 GLU N    N 15 120.326 0.005 . 1 . . . . . . . . 5345 2 
      431 . 2 1 39 39 GLU H    H  1   8.909 0.005 . 1 . . . . . . . . 5345 2 
      432 . 2 1 39 39 GLU CA   C 13  60.534 0.005 . 1 . . . . . . . . 5345 2 
      433 . 2 1 39 39 GLU HA   H  1   4.014 0.005 . 1 . . . . . . . . 5345 2 
      434 . 2 1 39 39 GLU CB   C 13  32.920 0.005 . 1 . . . . . . . . 5345 2 
      435 . 2 1 39 39 GLU HB3  H  1   2.099 0.005 . 2 . . . . . . . . 5345 2 
      436 . 2 1 39 39 GLU HB2  H  1   1.960 0.005 . 2 . . . . . . . . 5345 2 
      437 . 2 1 39 39 GLU CG   C 13  37.300 0.005 . 1 . . . . . . . . 5345 2 
      438 . 2 1 39 39 GLU HG3  H  1   2.090 0.005 . 2 . . . . . . . . 5345 2 
      439 . 2 1 39 39 GLU HG2  H  1   2.480 0.005 . 2 . . . . . . . . 5345 2 
      440 . 2 1 39 39 GLU CD   C 13   0.000 0.005 . 1 . . . . . . . . 5345 2 
      441 . 2 1 39 39 GLU C    C 13 180.347 0.005 . 1 . . . . . . . . 5345 2 
      442 . 2 1 40 40 ALA N    N 15 122.672 0.005 . 1 . . . . . . . . 5345 2 
      443 . 2 1 40 40 ALA H    H  1   8.372 0.005 . 1 . . . . . . . . 5345 2 
      444 . 2 1 40 40 ALA CA   C 13  55.400 0.005 . 1 . . . . . . . . 5345 2 
      445 . 2 1 40 40 ALA HA   H  1   4.300 0.005 . 1 . . . . . . . . 5345 2 
      446 . 2 1 40 40 ALA CB   C 13  17.900 0.005 . 1 . . . . . . . . 5345 2 
      447 . 2 1 40 40 ALA HB1  H  1   1.573 0.005 . 1 . . . . . . . . 5345 2 
      448 . 2 1 40 40 ALA HB2  H  1   1.573 0.005 . 1 . . . . . . . . 5345 2 
      449 . 2 1 40 40 ALA HB3  H  1   1.573 0.005 . 1 . . . . . . . . 5345 2 
      450 . 2 1 40 40 ALA C    C 13 179.721 0.005 . 1 . . . . . . . . 5345 2 
      451 . 2 1 41 41 ALA N    N 15 121.520 0.005 . 1 . . . . . . . . 5345 2 
      452 . 2 1 41 41 ALA H    H  1   7.714 0.005 . 1 . . . . . . . . 5345 2 
      453 . 2 1 41 41 ALA CA   C 13  55.431 0.005 . 1 . . . . . . . . 5345 2 
      454 . 2 1 41 41 ALA HA   H  1   4.136 0.005 . 1 . . . . . . . . 5345 2 
      455 . 2 1 41 41 ALA CB   C 13  20.000 0.005 . 1 . . . . . . . . 5345 2 
      456 . 2 1 41 41 ALA HB1  H  1   1.700 0.005 . 1 . . . . . . . . 5345 2 
      457 . 2 1 41 41 ALA HB2  H  1   1.700 0.005 . 1 . . . . . . . . 5345 2 
      458 . 2 1 41 41 ALA HB3  H  1   1.700 0.005 . 1 . . . . . . . . 5345 2 
      459 . 2 1 41 41 ALA C    C 13 179.200 0.005 . 1 . . . . . . . . 5345 2 
      460 . 2 1 42 42 MET N    N 15 115.799 0.005 . 1 . . . . . . . . 5345 2 
      461 . 2 1 42 42 MET H    H  1   8.320 0.005 . 1 . . . . . . . . 5345 2 
      462 . 2 1 42 42 MET CA   C 13  60.810 0.005 . 1 . . . . . . . . 5345 2 
      463 . 2 1 42 42 MET HA   H  1   3.670 0.005 . 1 . . . . . . . . 5345 2 
      464 . 2 1 42 42 MET CB   C 13  37.100 0.005 . 1 . . . . . . . . 5345 2 
      465 . 2 1 42 42 MET HB3  H  1   2.320 0.005 . 1 . . . . . . . . 5345 2 
      466 . 2 1 42 42 MET HB2  H  1   2.320 0.005 . 1 . . . . . . . . 5345 2 
      467 . 2 1 42 42 MET CG   C 13  31.800 0.005 . 1 . . . . . . . . 5345 2 
      468 . 2 1 42 42 MET HG3  H  1   2.790 0.005 . 1 . . . . . . . . 5345 2 
      469 . 2 1 42 42 MET HG2  H  1   2.790 0.005 . 1 . . . . . . . . 5345 2 
      470 . 2 1 42 42 MET CE   C 13  17.250 0.005 . 1 . . . . . . . . 5345 2 
      471 . 2 1 42 42 MET HE1  H  1   1.920 0.005 . 1 . . . . . . . . 5345 2 
      472 . 2 1 42 42 MET HE2  H  1   1.920 0.005 . 1 . . . . . . . . 5345 2 
      473 . 2 1 42 42 MET HE3  H  1   1.920 0.005 . 1 . . . . . . . . 5345 2 
      474 . 2 1 42 42 MET C    C 13 178.044 0.005 . 1 . . . . . . . . 5345 2 
      475 . 2 1 43 43 ALA N    N 15 120.341 0.005 . 1 . . . . . . . . 5345 2 
      476 . 2 1 43 43 ALA H    H  1   7.644 0.005 . 1 . . . . . . . . 5345 2 
      477 . 2 1 43 43 ALA CA   C 13  54.870 0.005 . 1 . . . . . . . . 5345 2 
      478 . 2 1 43 43 ALA HA   H  1   4.250 0.005 . 1 . . . . . . . . 5345 2 
      479 . 2 1 43 43 ALA CB   C 13  18.400 0.005 . 1 . . . . . . . . 5345 2 
      480 . 2 1 43 43 ALA HB1  H  1   1.550 0.005 . 1 . . . . . . . . 5345 2 
      481 . 2 1 43 43 ALA HB2  H  1   1.550 0.005 . 1 . . . . . . . . 5345 2 
      482 . 2 1 43 43 ALA HB3  H  1   1.550 0.005 . 1 . . . . . . . . 5345 2 
      483 . 2 1 43 43 ALA C    C 13 181.236 0.005 . 1 . . . . . . . . 5345 2 
      484 . 2 1 44 44 GLU N    N 15 120.376 0.005 . 1 . . . . . . . . 5345 2 
      485 . 2 1 44 44 GLU H    H  1   8.517 0.005 . 1 . . . . . . . . 5345 2 
      486 . 2 1 44 44 GLU CA   C 13  59.440 0.005 . 1 . . . . . . . . 5345 2 
      487 . 2 1 44 44 GLU HA   H  1   3.963 0.005 . 1 . . . . . . . . 5345 2 
      488 . 2 1 44 44 GLU CB   C 13  29.600 0.005 . 1 . . . . . . . . 5345 2 
      489 . 2 1 44 44 GLU HB3  H  1   1.948 0.005 . 2 . . . . . . . . 5345 2 
      490 . 2 1 44 44 GLU HB2  H  1   2.120 0.005 . 2 . . . . . . . . 5345 2 
      491 . 2 1 44 44 GLU CG   C 13  36.200 0.005 . 1 . . . . . . . . 5345 2 
      492 . 2 1 44 44 GLU HG3  H  1   2.340 0.005 . 2 . . . . . . . . 5345 2 
      493 . 2 1 44 44 GLU HG2  H  1   2.410 0.005 . 2 . . . . . . . . 5345 2 
      494 . 2 1 44 44 GLU C    C 13 178.692 0.005 . 1 . . . . . . . . 5345 2 
      495 . 2 1 45 45 LEU N    N 15 114.990 0.005 . 1 . . . . . . . . 5345 2 
      496 . 2 1 45 45 LEU H    H  1   7.728 0.005 . 1 . . . . . . . . 5345 2 
      497 . 2 1 45 45 LEU CA   C 13  54.545 0.005 . 1 . . . . . . . . 5345 2 
      498 . 2 1 45 45 LEU HA   H  1   4.126 0.005 . 1 . . . . . . . . 5345 2 
      499 . 2 1 45 45 LEU CB   C 13  42.470 0.005 . 1 . . . . . . . . 5345 2 
      500 . 2 1 45 45 LEU HB3  H  1   1.520 0.005 . 2 . . . . . . . . 5345 2 
      501 . 2 1 45 45 LEU HB2  H  1   1.670 0.005 . 2 . . . . . . . . 5345 2 
      502 . 2 1 45 45 LEU CG   C 13  26.700 0.005 . 1 . . . . . . . . 5345 2 
      503 . 2 1 45 45 LEU HG   H  1   1.215 0.005 . 1 . . . . . . . . 5345 2 
      504 . 2 1 45 45 LEU CD1  C 13  21.500 0.005 . 1 . . . . . . . . 5345 2 
      505 . 2 1 45 45 LEU HD11 H  1   0.407 0.005 . 2 . . . . . . . . 5345 2 
      506 . 2 1 45 45 LEU HD12 H  1   0.407 0.005 . 2 . . . . . . . . 5345 2 
      507 . 2 1 45 45 LEU HD13 H  1   0.407 0.005 . 2 . . . . . . . . 5345 2 
      508 . 2 1 45 45 LEU CD2  C 13  25.600 0.005 . 1 . . . . . . . . 5345 2 
      509 . 2 1 45 45 LEU HD21 H  1   0.450 0.005 . 2 . . . . . . . . 5345 2 
      510 . 2 1 45 45 LEU HD22 H  1   0.450 0.005 . 2 . . . . . . . . 5345 2 
      511 . 2 1 45 45 LEU HD23 H  1   0.450 0.005 . 2 . . . . . . . . 5345 2 
      512 . 2 1 45 45 LEU C    C 13 176.209 0.005 . 1 . . . . . . . . 5345 2 
      513 . 2 1 46 46 ASN N    N 15 116.657 0.005 . 1 . . . . . . . . 5345 2 
      514 . 2 1 46 46 ASN H    H  1   7.674 0.005 . 1 . . . . . . . . 5345 2 
      515 . 2 1 46 46 ASN CA   C 13  53.930 0.005 . 1 . . . . . . . . 5345 2 
      516 . 2 1 46 46 ASN HA   H  1   4.248 0.005 . 1 . . . . . . . . 5345 2 
      517 . 2 1 46 46 ASN CB   C 13  37.210 0.005 . 1 . . . . . . . . 5345 2 
      518 . 2 1 46 46 ASN HB3  H  1   2.620 0.005 . 2 . . . . . . . . 5345 2 
      519 . 2 1 46 46 ASN HB2  H  1   3.127 0.005 . 2 . . . . . . . . 5345 2 
      520 . 2 1 46 46 ASN ND2  N 15 111.500 0.005 . 1 . . . . . . . . 5345 2 
      521 . 2 1 46 46 ASN HD21 H  1   7.302 0.005 . 2 . . . . . . . . 5345 2 
      522 . 2 1 46 46 ASN HD22 H  1   6.615 0.005 . 2 . . . . . . . . 5345 2 
      523 . 2 1 46 46 ASN C    C 13 174.212 0.005 . 1 . . . . . . . . 5345 2 
      524 . 2 1 47 47 TYR N    N 15 116.500 0.005 . 1 . . . . . . . . 5345 2 
      525 . 2 1 47 47 TYR H    H  1   8.118 0.005 . 1 . . . . . . . . 5345 2 
      526 . 2 1 47 47 TYR CA   C 13  60.608 0.005 . 1 . . . . . . . . 5345 2 
      527 . 2 1 47 47 TYR HA   H  1   3.914 0.005 . 1 . . . . . . . . 5345 2 
      528 . 2 1 47 47 TYR CB   C 13  38.820 0.005 . 1 . . . . . . . . 5345 2 
      529 . 2 1 47 47 TYR HB3  H  1   2.570 0.005 . 1 . . . . . . . . 5345 2 
      530 . 2 1 47 47 TYR HB2  H  1   2.570 0.005 . 1 . . . . . . . . 5345 2 
      531 . 2 1 47 47 TYR HD1  H  1   6.750 0.005 . 1 . . . . . . . . 5345 2 
      532 . 2 1 47 47 TYR HE1  H  1   6.720 0.005 . 1 . . . . . . . . 5345 2 
      533 . 2 1 47 47 TYR HH   H  1  10.203 0.005 . 1 . . . . . . . . 5345 2 
      534 . 2 1 47 47 TYR HE2  H  1   6.720 0.005 . 1 . . . . . . . . 5345 2 
      535 . 2 1 47 47 TYR HD2  H  1   6.750 0.005 . 1 . . . . . . . . 5345 2 
      536 . 2 1 47 47 TYR C    C 13 174.580 0.005 . 1 . . . . . . . . 5345 2 
      537 . 2 1 48 48 ILE N    N 15 130.900 0.005 . 1 . . . . . . . . 5345 2 
      538 . 2 1 48 48 ILE H    H  1   7.520 0.005 . 1 . . . . . . . . 5345 2 
      539 . 2 1 48 48 ILE CA   C 13  57.605 0.005 . 1 . . . . . . . . 5345 2 
      540 . 2 1 48 48 ILE HA   H  1   3.950 0.005 . 1 . . . . . . . . 5345 2 
      541 . 2 1 48 48 ILE CB   C 13  41.100 0.005 . 1 . . . . . . . . 5345 2 
      542 . 2 1 48 48 ILE HB   H  1   1.475 0.005 . 1 . . . . . . . . 5345 2 
      543 . 2 1 48 48 ILE CG1  C 13  26.800 0.005 . 2 . . . . . . . . 5345 2 
      544 . 2 1 48 48 ILE HG13 H  1   0.932 0.005 . 1 . . . . . . . . 5345 2 
      545 . 2 1 48 48 ILE HG12 H  1   1.370 0.005 . 1 . . . . . . . . 5345 2 
      546 . 2 1 48 48 ILE CD1  C 13  12.700 0.005 . 1 . . . . . . . . 5345 2 
      547 . 2 1 48 48 ILE HD11 H  1   0.750 0.005 . 1 . . . . . . . . 5345 2 
      548 . 2 1 48 48 ILE HD12 H  1   0.750 0.005 . 1 . . . . . . . . 5345 2 
      549 . 2 1 48 48 ILE HD13 H  1   0.750 0.005 . 1 . . . . . . . . 5345 2 
      550 . 2 1 48 48 ILE CG2  C 13  16.600 0.005 . 1 . . . . . . . . 5345 2 
      551 . 2 1 48 48 ILE HG21 H  1   0.764 0.005 . 1 . . . . . . . . 5345 2 
      552 . 2 1 48 48 ILE HG22 H  1   0.764 0.005 . 1 . . . . . . . . 5345 2 
      553 . 2 1 48 48 ILE HG23 H  1   0.764 0.005 . 1 . . . . . . . . 5345 2 
      554 . 2 1 48 48 ILE C    C 13 174.526 0.005 . 1 . . . . . . . . 5345 2 
      555 . 2 1 49 49 PRO CA   C 13  62.900 0.005 . 1 . . . . . . . . 5345 2 
      556 . 2 1 49 49 PRO HA   H  1   4.100 0.005 . 1 . . . . . . . . 5345 2 
      557 . 2 1 49 49 PRO HB3  H  1   1.460 0.005 . 2 . . . . . . . . 5345 2 
      558 . 2 1 49 49 PRO HB2  H  1   2.040 0.005 . 2 . . . . . . . . 5345 2 
      559 . 2 1 49 49 PRO HG3  H  1   1.690 0.005 . 2 . . . . . . . . 5345 2 
      560 . 2 1 49 49 PRO HG2  H  1   1.730 0.005 . 2 . . . . . . . . 5345 2 
      561 . 2 1 49 49 PRO HD3  H  1   3.120 0.005 . 2 . . . . . . . . 5345 2 
      562 . 2 1 49 49 PRO HD2  H  1   3.240 0.005 . 2 . . . . . . . . 5345 2 
      563 . 2 1 49 49 PRO C    C 13 176.109 0.005 . 1 . . . . . . . . 5345 2 
      564 . 2 1 50 50 ASN N    N 15 120.900 0.005 . 1 . . . . . . . . 5345 2 
      565 . 2 1 50 50 ASN H    H  1   8.015 0.005 . 1 . . . . . . . . 5345 2 
      566 . 2 1 50 50 ASN CA   C 13  53.324 0.005 . 1 . . . . . . . . 5345 2 
      567 . 2 1 50 50 ASN HA   H  1   4.160 0.005 . 1 . . . . . . . . 5345 2 
      568 . 2 1 50 50 ASN CB   C 13  38.600 0.005 . 1 . . . . . . . . 5345 2 
      569 . 2 1 50 50 ASN HB3  H  1   2.665 0.005 . 2 . . . . . . . . 5345 2 
      570 . 2 1 50 50 ASN HB2  H  1   3.175 0.005 . 2 . . . . . . . . 5345 2 
      571 . 2 1 50 50 ASN ND2  N 15 114.135 0.005 . 1 . . . . . . . . 5345 2 
      572 . 2 1 50 50 ASN HD21 H  1   6.721 0.005 . 2 . . . . . . . . 5345 2 
      573 . 2 1 50 50 ASN HD22 H  1   8.110 0.005 . 2 . . . . . . . . 5345 2 
      574 . 2 1 50 50 ASN C    C 13 175.364 0.005 . 1 . . . . . . . . 5345 2 
      575 . 2 1 51 51 ARG N    N 15 127.655 0.005 . 1 . . . . . . . . 5345 2 
      576 . 2 1 51 51 ARG H    H  1   8.239 0.005 . 1 . . . . . . . . 5345 2 
      577 . 2 1 51 51 ARG CA   C 13  58.696 0.005 . 1 . . . . . . . . 5345 2 
      578 . 2 1 51 51 ARG HA   H  1   4.308 0.005 . 1 . . . . . . . . 5345 2 
      579 . 2 1 51 51 ARG CB   C 13  29.800 0.005 . 1 . . . . . . . . 5345 2 
      580 . 2 1 51 51 ARG HB3  H  1   1.850 0.005 . 1 . . . . . . . . 5345 2 
      581 . 2 1 51 51 ARG HB2  H  1   1.850 0.005 . 1 . . . . . . . . 5345 2 
      582 . 2 1 51 51 ARG CG   C 13  27.000 0.005 . 1 . . . . . . . . 5345 2 
      583 . 2 1 51 51 ARG HG3  H  1   1.710 0.005 . 1 . . . . . . . . 5345 2 
      584 . 2 1 51 51 ARG HG2  H  1   1.710 0.005 . 1 . . . . . . . . 5345 2 
      585 . 2 1 51 51 ARG CD   C 13  43.140 0.005 . 1 . . . . . . . . 5345 2 
      586 . 2 1 51 51 ARG HD3  H  1   3.184 0.005 . 1 . . . . . . . . 5345 2 
      587 . 2 1 51 51 ARG HD2  H  1   3.184 0.005 . 1 . . . . . . . . 5345 2 
      588 . 2 1 51 51 ARG NE   N 15  87.300 0.005 . 1 . . . . . . . . 5345 2 
      589 . 2 1 51 51 ARG HE   H  1   7.050 0.005 . 1 . . . . . . . . 5345 2 
      590 . 2 1 51 51 ARG C    C 13 179.737 0.005 . 1 . . . . . . . . 5345 2 
      591 . 2 1 52 52 CYS N    N 15 117.810 0.005 . 1 . . . . . . . . 5345 2 
      592 . 2 1 52 52 CYS H    H  1   8.331 0.005 . 1 . . . . . . . . 5345 2 
      593 . 2 1 52 52 CYS CA   C 13  55.027 0.005 . 1 . . . . . . . . 5345 2 
      594 . 2 1 52 52 CYS HA   H  1   4.750 0.005 . 1 . . . . . . . . 5345 2 
      595 . 2 1 52 52 CYS CB   C 13  31.406 0.005 . 1 . . . . . . . . 5345 2 
      596 . 2 1 52 52 CYS HB3  H  1   2.695 0.005 . 2 . . . . . . . . 5345 2 
      597 . 2 1 52 52 CYS HB2  H  1   3.000 0.005 . 2 . . . . . . . . 5345 2 
      598 . 2 1 52 52 CYS C    C 13 176.839 0.005 . 1 . . . . . . . . 5345 2 
      599 . 2 1 53 53 ALA N    N 15 124.000 0.005 . 1 . . . . . . . . 5345 2 
      600 . 2 1 53 53 ALA H    H  1   8.115 0.005 . 1 . . . . . . . . 5345 2 
      601 . 2 1 53 53 ALA CA   C 13  55.521 0.005 . 1 . . . . . . . . 5345 2 
      602 . 2 1 53 53 ALA HA   H  1   3.882 0.005 . 1 . . . . . . . . 5345 2 
      603 . 2 1 53 53 ALA CB   C 13  19.000 0.005 . 1 . . . . . . . . 5345 2 
      604 . 2 1 53 53 ALA HB1  H  1   1.862 0.005 . 1 . . . . . . . . 5345 2 
      605 . 2 1 53 53 ALA HB2  H  1   1.862 0.005 . 1 . . . . . . . . 5345 2 
      606 . 2 1 53 53 ALA HB3  H  1   1.862 0.005 . 1 . . . . . . . . 5345 2 
      607 . 2 1 53 53 ALA C    C 13 180.900 0.005 . 1 . . . . . . . . 5345 2 
      608 . 2 1 54 54 GLN N    N 15 114.647 0.005 . 1 . . . . . . . . 5345 2 
      609 . 2 1 54 54 GLN H    H  1   7.648 0.005 . 1 . . . . . . . . 5345 2 
      610 . 2 1 54 54 GLN CA   C 13  60.031 0.005 . 1 . . . . . . . . 5345 2 
      611 . 2 1 54 54 GLN HA   H  1   3.882 0.005 . 1 . . . . . . . . 5345 2 
      612 . 2 1 54 54 GLN CB   C 13  29.996 0.005 . 1 . . . . . . . . 5345 2 
      613 . 2 1 54 54 GLN HB3  H  1   1.965 0.005 . 2 . . . . . . . . 5345 2 
      614 . 2 1 54 54 GLN HB2  H  1   1.853 0.005 . 2 . . . . . . . . 5345 2 
      615 . 2 1 54 54 GLN CG   C 13  33.700 0.005 . 1 . . . . . . . . 5345 2 
      616 . 2 1 54 54 GLN HG3  H  1   2.460 0.005 . 2 . . . . . . . . 5345 2 
      617 . 2 1 54 54 GLN HG2  H  1   2.560 0.005 . 2 . . . . . . . . 5345 2 
      618 . 2 1 54 54 GLN NE2  N 15 113.125 0.005 . 1 . . . . . . . . 5345 2 
      619 . 2 1 54 54 GLN HE21 H  1   6.384 0.005 . 2 . . . . . . . . 5345 2 
      620 . 2 1 54 54 GLN HE22 H  1   8.027 0.005 . 2 . . . . . . . . 5345 2 
      621 . 2 1 54 54 GLN C    C 13 177.943 0.005 . 1 . . . . . . . . 5345 2 
      622 . 2 1 55 55 GLN N    N 15 119.180 0.005 . 1 . . . . . . . . 5345 2 
      623 . 2 1 55 55 GLN H    H  1   8.280 0.005 . 1 . . . . . . . . 5345 2 
      624 . 2 1 55 55 GLN CA   C 13  59.079 0.005 . 1 . . . . . . . . 5345 2 
      625 . 2 1 55 55 GLN HA   H  1   4.030 0.005 . 1 . . . . . . . . 5345 2 
      626 . 2 1 55 55 GLN CB   C 13  29.100 0.005 . 1 . . . . . . . . 5345 2 
      627 . 2 1 55 55 GLN HB3  H  1   2.130 0.005 . 2 . . . . . . . . 5345 2 
      628 . 2 1 55 55 GLN HB2  H  1   2.244 0.005 . 2 . . . . . . . . 5345 2 
      629 . 2 1 55 55 GLN CG   C 13  34.800 0.005 . 1 . . . . . . . . 5345 2 
      630 . 2 1 55 55 GLN HG3  H  1   2.256 0.005 . 2 . . . . . . . . 5345 2 
      631 . 2 1 55 55 GLN HG2  H  1   2.474 0.005 . 2 . . . . . . . . 5345 2 
      632 . 2 1 55 55 GLN NE2  N 15 111.800 0.005 . 1 . . . . . . . . 5345 2 
      633 . 2 1 55 55 GLN HE21 H  1   6.720 0.005 . 2 . . . . . . . . 5345 2 
      634 . 2 1 55 55 GLN HE22 H  1   7.258 0.005 . 2 . . . . . . . . 5345 2 
      635 . 2 1 55 55 GLN C    C 13 180.263 0.005 . 1 . . . . . . . . 5345 2 
      636 . 2 1 56 56 LEU N    N 15 122.280 0.005 . 1 . . . . . . . . 5345 2 
      637 . 2 1 56 56 LEU H    H  1   8.185 0.005 . 1 . . . . . . . . 5345 2 
      638 . 2 1 56 56 LEU CA   C 13  58.107 0.005 . 1 . . . . . . . . 5345 2 
      639 . 2 1 56 56 LEU HA   H  1   3.870 0.005 . 1 . . . . . . . . 5345 2 
      640 . 2 1 56 56 LEU CB   C 13  41.992 0.005 . 1 . . . . . . . . 5345 2 
      641 . 2 1 56 56 LEU HB3  H  1   1.140 0.005 . 2 . . . . . . . . 5345 2 
      642 . 2 1 56 56 LEU HB2  H  1   1.370 0.005 . 2 . . . . . . . . 5345 2 
      643 . 2 1 56 56 LEU CG   C 13  27.500 0.005 . 1 . . . . . . . . 5345 2 
      644 . 2 1 56 56 LEU HG   H  1   1.280 0.005 . 1 . . . . . . . . 5345 2 
      645 . 2 1 56 56 LEU CD1  C 13  24.300 0.005 . 1 . . . . . . . . 5345 2 
      646 . 2 1 56 56 LEU HD11 H  1   0.470 0.005 . 2 . . . . . . . . 5345 2 
      647 . 2 1 56 56 LEU HD12 H  1   0.470 0.005 . 2 . . . . . . . . 5345 2 
      648 . 2 1 56 56 LEU HD13 H  1   0.470 0.005 . 2 . . . . . . . . 5345 2 
      649 . 2 1 56 56 LEU CD2  C 13  23.600 0.005 . 1 . . . . . . . . 5345 2 
      650 . 2 1 56 56 LEU HD21 H  1   0.220 0.005 . 2 . . . . . . . . 5345 2 
      651 . 2 1 56 56 LEU HD22 H  1   0.220 0.005 . 2 . . . . . . . . 5345 2 
      652 . 2 1 56 56 LEU HD23 H  1   0.220 0.005 . 2 . . . . . . . . 5345 2 
      653 . 2 1 56 56 LEU C    C 13 177.994 0.005 . 1 . . . . . . . . 5345 2 
      654 . 2 1 57 57 ALA N    N 15 117.197 0.005 . 1 . . . . . . . . 5345 2 
      655 . 2 1 57 57 ALA H    H  1   7.039 0.005 . 1 . . . . . . . . 5345 2 
      656 . 2 1 57 57 ALA CA   C 13  52.982 0.005 . 1 . . . . . . . . 5345 2 
      657 . 2 1 57 57 ALA HA   H  1   4.160 0.005 . 1 . . . . . . . . 5345 2 
      658 . 2 1 57 57 ALA CB   C 13  20.000 0.005 . 1 . . . . . . . . 5345 2 
      659 . 2 1 57 57 ALA HB1  H  1   1.593 0.005 . 1 . . . . . . . . 5345 2 
      660 . 2 1 57 57 ALA HB2  H  1   1.593 0.005 . 1 . . . . . . . . 5345 2 
      661 . 2 1 57 57 ALA HB3  H  1   1.593 0.005 . 1 . . . . . . . . 5345 2 
      662 . 2 1 57 57 ALA C    C 13 178.202 0.005 . 1 . . . . . . . . 5345 2 
      663 . 2 1 58 58 GLY N    N 15 104.624 0.005 . 1 . . . . . . . . 5345 2 
      664 . 2 1 58 58 GLY H    H  1   7.547 0.005 . 1 . . . . . . . . 5345 2 
      665 . 2 1 58 58 GLY CA   C 13  45.698 0.005 . 1 . . . . . . . . 5345 2 
      666 . 2 1 58 58 GLY HA3  H  1   3.810 0.005 . 2 . . . . . . . . 5345 2 
      667 . 2 1 58 58 GLY HA2  H  1   4.112 0.005 . 2 . . . . . . . . 5345 2 
      668 . 2 1 58 58 GLY C    C 13 174.735 0.005 . 1 . . . . . . . . 5345 2 
      669 . 2 1 59 59 LYS N    N 15 121.341 0.005 . 1 . . . . . . . . 5345 2 
      670 . 2 1 59 59 LYS H    H  1   7.969 0.005 . 1 . . . . . . . . 5345 2 
      671 . 2 1 59 59 LYS CA   C 13  56.196 0.005 . 1 . . . . . . . . 5345 2 
      672 . 2 1 59 59 LYS HA   H  1   4.300 0.005 . 1 . . . . . . . . 5345 2 
      673 . 2 1 59 59 LYS CB   C 13  32.600 0.005 . 1 . . . . . . . . 5345 2 
      674 . 2 1 59 59 LYS HB3  H  1   1.578 0.005 . 2 . . . . . . . . 5345 2 
      675 . 2 1 59 59 LYS HB2  H  1   1.727 0.005 . 2 . . . . . . . . 5345 2 
      676 . 2 1 59 59 LYS CG   C 13  24.300 0.005 . 1 . . . . . . . . 5345 2 
      677 . 2 1 59 59 LYS HG3  H  1   1.403 0.005 . 1 . . . . . . . . 5345 2 
      678 . 2 1 59 59 LYS HG2  H  1   1.403 0.005 . 1 . . . . . . . . 5345 2 
      679 . 2 1 59 59 LYS CD   C 13  29.500 0.005 . 1 . . . . . . . . 5345 2 
      680 . 2 1 59 59 LYS HD3  H  1   1.590 0.005 . 1 . . . . . . . . 5345 2 
      681 . 2 1 59 59 LYS HD2  H  1   1.590 0.005 . 1 . . . . . . . . 5345 2 
      682 . 2 1 59 59 LYS CE   C 13  42.200 0.005 . 1 . . . . . . . . 5345 2 
      683 . 2 1 59 59 LYS HE3  H  1   2.947 0.005 . 1 . . . . . . . . 5345 2 
      684 . 2 1 59 59 LYS HE2  H  1   2.947 0.005 . 1 . . . . . . . . 5345 2 
      685 . 2 1 59 59 LYS C    C 13 176.326 0.005 . 1 . . . . . . . . 5345 2 
      686 . 2 1 60 60 GLN N    N 15 122.892 0.005 . 1 . . . . . . . . 5345 2 
      687 . 2 1 60 60 GLN H    H  1   8.365 0.005 . 1 . . . . . . . . 5345 2 
      688 . 2 1 60 60 GLN CA   C 13  55.800 0.005 . 1 . . . . . . . . 5345 2 
      689 . 2 1 60 60 GLN HA   H  1   4.350 0.005 . 1 . . . . . . . . 5345 2 
      690 . 2 1 60 60 GLN CB   C 13  29.800 0.005 . 1 . . . . . . . . 5345 2 
      691 . 2 1 60 60 GLN HB3  H  1   1.970 0.005 . 2 . . . . . . . . 5345 2 
      692 . 2 1 60 60 GLN HB2  H  1   2.050 0.005 . 2 . . . . . . . . 5345 2 
      693 . 2 1 60 60 GLN CG   C 13  33.600 0.005 . 1 . . . . . . . . 5345 2 
      694 . 2 1 60 60 GLN HG3  H  1   2.360 0.005 . 1 . . . . . . . . 5345 2 
      695 . 2 1 60 60 GLN HG2  H  1   2.360 0.005 . 1 . . . . . . . . 5345 2 
      696 . 2 1 60 60 GLN NE2  N 15 112.200 0.005 . 1 . . . . . . . . 5345 2 
      697 . 2 1 60 60 GLN HE21 H  1   6.700 0.005 . 2 . . . . . . . . 5345 2 
      698 . 2 1 60 60 GLN HE22 H  1   7.400 0.005 . 2 . . . . . . . . 5345 2 
      699 . 2 1 61 61 SER N    N 15 117.700 0.005 . 1 . . . . . . . . 5345 2 
      700 . 2 1 61 61 SER H    H  1   8.228 0.005 . 1 . . . . . . . . 5345 2 
      701 . 2 1 61 61 SER CA   C 13  55.400 0.005 . 1 . . . . . . . . 5345 2 
      702 . 2 1 61 61 SER HA   H  1   4.420 0.005 . 1 . . . . . . . . 5345 2 
      703 . 2 1 61 61 SER CB   C 13  63.700 0.005 . 1 . . . . . . . . 5345 2 
      704 . 2 1 61 61 SER HB3  H  1   3.750 0.005 . 1 . . . . . . . . 5345 2 
      705 . 2 1 61 61 SER HB2  H  1   3.750 0.005 . 1 . . . . . . . . 5345 2 
      706 . 2 1 62 62 LEU N    N 15 130.000 0.005 . 1 . . . . . . . . 5345 2 
      707 . 2 1 62 62 LEU H    H  1   7.774 0.005 . 1 . . . . . . . . 5345 2 
      708 . 2 1 62 62 LEU CA   C 13  56.500 0.005 . 1 . . . . . . . . 5345 2 
      709 . 2 1 62 62 LEU HA   H  1   4.130 0.005 . 1 . . . . . . . . 5345 2 
      710 . 2 1 62 62 LEU CB   C 13  43.500 0.005 . 1 . . . . . . . . 5345 2 
      711 . 2 1 62 62 LEU HB3  H  1   3.740 0.005 . 1 . . . . . . . . 5345 2 
      712 . 2 1 62 62 LEU HB2  H  1   3.740 0.005 . 1 . . . . . . . . 5345 2 
      713 . 2 1 62 62 LEU CG   C 13  27.200 0.005 . 1 . . . . . . . . 5345 2 
      714 . 2 1 62 62 LEU HG   H  1   1.400 0.005 . 1 . . . . . . . . 5345 2 
      715 . 2 1 62 62 LEU CD1  C 13  25.200 0.005 . 1 . . . . . . . . 5345 2 
      716 . 2 1 62 62 LEU HD11 H  1   0.870 0.005 . 2 . . . . . . . . 5345 2 
      717 . 2 1 62 62 LEU HD12 H  1   0.870 0.005 . 2 . . . . . . . . 5345 2 
      718 . 2 1 62 62 LEU HD13 H  1   0.870 0.005 . 2 . . . . . . . . 5345 2 
      719 . 2 1 62 62 LEU CD2  C 13  23.600 0.005 . 1 . . . . . . . . 5345 2 
      720 . 2 1 62 62 LEU HD21 H  1   0.830 0.005 . 2 . . . . . . . . 5345 2 
      721 . 2 1 62 62 LEU HD22 H  1   0.830 0.005 . 2 . . . . . . . . 5345 2 
      722 . 2 1 62 62 LEU HD23 H  1   0.830 0.005 . 2 . . . . . . . . 5345 2 

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