Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"

    save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      16275
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _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 '2D 1H-15N HSQC' . . . 16275 1 
      2 '2D 1H-13C HSQC' . . . 16275 1 
      3 '2D 1H-1H TOCSY' . . . 16275 1 
      4 '2D 1H-1H NOESY' . . . 16275 1 

   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 . 1 1  1  1 LYS HA   H  1   3.978 0.020 . 1 . . . .  1 K HA   . 16275 1 
        2 . 1 1  1  1 LYS HB2  H  1   1.829 0.020 . 2 . . . .  1 K HB   . 16275 1 
        3 . 1 1  1  1 LYS HB3  H  1   1.829 0.020 . 2 . . . .  1 K HB   . 16275 1 
        4 . 1 1  1  1 LYS HD2  H  1   1.667 0.020 . 2 . . . .  1 K HD   . 16275 1 
        5 . 1 1  1  1 LYS HD3  H  1   1.667 0.020 . 2 . . . .  1 K HD   . 16275 1 
        6 . 1 1  1  1 LYS HE2  H  1   2.968 0.020 . 2 . . . .  1 K HE   . 16275 1 
        7 . 1 1  1  1 LYS HE3  H  1   2.968 0.020 . 2 . . . .  1 K HE   . 16275 1 
        8 . 1 1  1  1 LYS HG2  H  1   1.371 0.020 . 2 . . . .  1 K HG   . 16275 1 
        9 . 1 1  1  1 LYS HG3  H  1   1.371 0.020 . 2 . . . .  1 K HG   . 16275 1 
       10 . 1 1  1  1 LYS CA   C 13  55.148 0.050 . 1 . . . .  1 K CA   . 16275 1 
       11 . 1 1  1  1 LYS CB   C 13  32.779 0.050 . 1 . . . .  1 K CB   . 16275 1 
       12 . 1 1  1  1 LYS CD   C 13  28.545 0.050 . 1 . . . .  1 K CD   . 16275 1 
       13 . 1 1  1  1 LYS CE   C 13  41.392 0.050 . 1 . . . .  1 K CE   . 16275 1 
       14 . 1 1  1  1 LYS CG   C 13  23.496 0.050 . 1 . . . .  1 K CG   . 16275 1 
       15 . 1 1  2  2 PHE H    H  1   8.328 0.020 . 1 . . . .  2 F HN   . 16275 1 
       16 . 1 1  2  2 PHE HA   H  1   4.621 0.020 . 1 . . . .  2 F HA   . 16275 1 
       17 . 1 1  2  2 PHE HB2  H  1   3.087 0.020 . 2 . . . .  2 F HB   . 16275 1 
       18 . 1 1  2  2 PHE HB3  H  1   3.087 0.020 . 2 . . . .  2 F HB   . 16275 1 
       19 . 1 1  2  2 PHE HD1  H  1   7.288 0.020 . 3 . . . .  2 F HD   . 16275 1 
       20 . 1 1  2  2 PHE HD2  H  1   7.288 0.020 . 3 . . . .  2 F HD   . 16275 1 
       21 . 1 1  2  2 PHE HE1  H  1   7.280 0.020 . 3 . . . .  2 F HE   . 16275 1 
       22 . 1 1  2  2 PHE HE2  H  1   7.280 0.020 . 3 . . . .  2 F HE   . 16275 1 
       23 . 1 1  2  2 PHE HZ   H  1   7.229 0.020 . 1 . . . .  2 F HZ   . 16275 1 
       24 . 1 1  2  2 PHE CA   C 13  58.187 0.050 . 1 . . . .  2 F CA   . 16275 1 
       25 . 1 1  2  2 PHE CB   C 13  39.070 0.050 . 1 . . . .  2 F CB   . 16275 1 
       26 . 1 1  2  2 PHE CD1  C 13 131.505 0.050 . 3 . . . .  2 F CD   . 16275 1 
       27 . 1 1  2  2 PHE CD2  C 13 131.505 0.050 . 3 . . . .  2 F CD   . 16275 1 
       28 . 1 1  2  2 PHE CE1  C 13 130.657 0.185 . 3 . . . .  2 F CE   . 16275 1 
       29 . 1 1  2  2 PHE CE2  C 13 130.657 0.185 . 3 . . . .  2 F CE   . 16275 1 
       30 . 1 1  2  2 PHE CZ   C 13 129.049 0.185 . 1 . . . .  2 F CZ   . 16275 1 
       31 . 1 1  2  2 PHE N    N 15 122.999 0.050 . 1 . . . .  2 F N    . 16275 1 
       32 . 1 1  3  3 ARG H    H  1   8.326 0.020 . 1 . . . .  3 R HN   . 16275 1 
       33 . 1 1  3  3 ARG HA   H  1   4.276 0.020 . 1 . . . .  3 R HA   . 16275 1 
       34 . 1 1  3  3 ARG HB2  H  1   1.767 0.020 . 2 . . . .  3 R HB2  . 16275 1 
       35 . 1 1  3  3 ARG HB3  H  1   1.690 0.020 . 2 . . . .  3 R HB3  . 16275 1 
       36 . 1 1  3  3 ARG HD2  H  1   3.153 0.020 . 2 . . . .  3 R HD   . 16275 1 
       37 . 1 1  3  3 ARG HD3  H  1   3.153 0.020 . 2 . . . .  3 R HD   . 16275 1 
       38 . 1 1  3  3 ARG HE   H  1   7.305 0.020 . 1 . . . .  3 R HE   . 16275 1 
       39 . 1 1  3  3 ARG HG2  H  1   1.584 0.020 . 2 . . . .  3 R HG2  . 16275 1 
       40 . 1 1  3  3 ARG HG3  H  1   1.534 0.020 . 2 . . . .  3 R HG3  . 16275 1 
       41 . 1 1  3  3 ARG CA   C 13  55.413 0.050 . 1 . . . .  3 R CA   . 16275 1 
       42 . 1 1  3  3 ARG CB   C 13  30.636 0.050 . 1 . . . .  3 R CB   . 16275 1 
       43 . 1 1  3  3 ARG CD   C 13  43.079 0.050 . 1 . . . .  3 R CD   . 16275 1 
       44 . 1 1  3  3 ARG CG   C 13  26.629 0.050 . 1 . . . .  3 R CG   . 16275 1 
       45 . 1 1  3  3 ARG N    N 15 122.999 0.050 . 1 . . . .  3 R N    . 16275 1 
       46 . 1 1  4  4 ARG H    H  1   8.234 0.020 . 1 . . . .  4 R HN   . 16275 1 
       47 . 1 1  4  4 ARG HA   H  1   4.212 0.020 . 1 . . . .  4 R HA   . 16275 1 
       48 . 1 1  4  4 ARG HB2  H  1   1.816 0.020 . 2 . . . .  4 R HB2  . 16275 1 
       49 . 1 1  4  4 ARG HB3  H  1   1.731 0.020 . 2 . . . .  4 R HB3  . 16275 1 
       50 . 1 1  4  4 ARG HD2  H  1   3.192 0.020 . 2 . . . .  4 R HD   . 16275 1 
       51 . 1 1  4  4 ARG HD3  H  1   3.192 0.020 . 2 . . . .  4 R HD   . 16275 1 
       52 . 1 1  4  4 ARG HE   H  1   7.430 0.020 . 1 . . . .  4 R HE   . 16275 1 
       53 . 1 1  4  4 ARG HG2  H  1   1.630 0.020 . 2 . . . .  4 R HG   . 16275 1 
       54 . 1 1  4  4 ARG HG3  H  1   1.630 0.020 . 2 . . . .  4 R HG   . 16275 1 
       55 . 1 1  4  4 ARG CA   C 13  55.644 0.050 . 1 . . . .  4 R CA   . 16275 1 
       56 . 1 1  4  4 ARG CB   C 13  30.511 0.050 . 1 . . . .  4 R CB   . 16275 1 
       57 . 1 1  4  4 ARG CD   C 13  42.986 0.050 . 1 . . . .  4 R CD   . 16275 1 
       58 . 1 1  4  4 ARG CG   C 13  26.868 0.050 . 1 . . . .  4 R CG   . 16275 1 
       59 . 1 1  4  4 ARG N    N 15 121.927 0.050 . 1 . . . .  4 R N    . 16275 1 
       60 . 1 1  5  5 GLN H    H  1   8.277 0.020 . 1 . . . .  5 Q HN   . 16275 1 
       61 . 1 1  5  5 GLN HA   H  1   4.351 0.020 . 1 . . . .  5 Q HA   . 16275 1 
       62 . 1 1  5  5 GLN HB2  H  1   2.032 0.020 . 2 . . . .  5 Q HB2  . 16275 1 
       63 . 1 1  5  5 GLN HB3  H  1   1.931 0.020 . 2 . . . .  5 Q HB3  . 16275 1 
       64 . 1 1  5  5 GLN HE21 H  1   7.528 0.020 . 2 . . . .  5 Q HE21 . 16275 1 
       65 . 1 1  5  5 GLN HE22 H  1   6.808 0.020 . 2 . . . .  5 Q HE22 . 16275 1 
       66 . 1 1  5  5 GLN HG2  H  1   2.313 0.020 . 2 . . . .  5 Q HG   . 16275 1 
       67 . 1 1  5  5 GLN HG3  H  1   2.313 0.020 . 2 . . . .  5 Q HG   . 16275 1 
       68 . 1 1  5  5 GLN CA   C 13  55.021 0.050 . 1 . . . .  5 Q CA   . 16275 1 
       69 . 1 1  5  5 GLN CB   C 13  29.563 0.050 . 1 . . . .  5 Q CB   . 16275 1 
       70 . 1 1  5  5 GLN CG   C 13  33.311 0.050 . 1 . . . .  5 Q CG   . 16275 1 
       71 . 1 1  5  5 GLN N    N 15 120.981 0.050 . 1 . . . .  5 Q N    . 16275 1 
       72 . 1 1  5  5 GLN NE2  N 15 112.132 0.031 . 1 . . . .  5 Q NE2  . 16275 1 
       73 . 1 1  6  6 ARG H    H  1   8.459 0.020 . 1 . . . .  6 R HN   . 16275 1 
       74 . 1 1  6  6 ARG HA   H  1   4.502 0.020 . 1 . . . .  6 R HA   . 16275 1 
       75 . 1 1  6  6 ARG HB2  H  1   1.830 0.020 . 2 . . . .  6 R HB2  . 16275 1 
       76 . 1 1  6  6 ARG HB3  H  1   1.747 0.020 . 2 . . . .  6 R HB3  . 16275 1 
       77 . 1 1  6  6 ARG HD2  H  1   3.162 0.020 . 2 . . . .  6 R HD   . 16275 1 
       78 . 1 1  6  6 ARG HD3  H  1   3.162 0.020 . 2 . . . .  6 R HD   . 16275 1 
       79 . 1 1  6  6 ARG HE   H  1   7.396 0.020 . 1 . . . .  6 R HE   . 16275 1 
       80 . 1 1  6  6 ARG HG2  H  1   1.668 0.020 . 2 . . . .  6 R HG   . 16275 1 
       81 . 1 1  6  6 ARG HG3  H  1   1.668 0.020 . 2 . . . .  6 R HG   . 16275 1 
       82 . 1 1  6  6 ARG CA   C 13  53.575 0.050 . 1 . . . .  6 R CA   . 16275 1 
       83 . 1 1  6  6 ARG CB   C 13  30.021 0.050 . 1 . . . .  6 R CB   . 16275 1 
       84 . 1 1  6  6 ARG CD   C 13  43.002 0.050 . 1 . . . .  6 R CD   . 16275 1 
       85 . 1 1  6  6 ARG CG   C 13  26.613 0.050 . 1 . . . .  6 R CG   . 16275 1 
       86 . 1 1  6  6 ARG N    N 15 123.450 0.050 . 1 . . . .  6 R N    . 16275 1 
       87 . 1 1  7  7 PRO HA   H  1   4.442 0.020 . 1 . . . .  7 P HA   . 16275 1 
       88 . 1 1  7  7 PRO HB2  H  1   2.278 0.020 . 2 . . . .  7 P HB2  . 16275 1 
       89 . 1 1  7  7 PRO HB3  H  1   1.833 0.020 . 2 . . . .  7 P HB3  . 16275 1 
       90 . 1 1  7  7 PRO HD2  H  1   3.811 0.020 . 2 . . . .  7 P HD2  . 16275 1 
       91 . 1 1  7  7 PRO HD3  H  1   3.583 0.020 . 2 . . . .  7 P HD3  . 16275 1 
       92 . 1 1  7  7 PRO HG2  H  1   1.978 0.020 . 2 . . . .  7 P HG   . 16275 1 
       93 . 1 1  7  7 PRO HG3  H  1   1.978 0.020 . 2 . . . .  7 P HG   . 16275 1 
       94 . 1 1  7  7 PRO CA   C 13  62.646 0.050 . 1 . . . .  7 P CA   . 16275 1 
       95 . 1 1  7  7 PRO CB   C 13  31.709 0.050 . 1 . . . .  7 P CB   . 16275 1 
       96 . 1 1  7  7 PRO CD   C 13  50.018 0.050 . 1 . . . .  7 P CD   . 16275 1 
       97 . 1 1  7  7 PRO CG   C 13  26.785 0.050 . 1 . . . .  7 P CG   . 16275 1 
       98 . 1 1  8  8 ARG H    H  1   8.425 0.020 . 1 . . . .  8 R HN   . 16275 1 
       99 . 1 1  8  8 ARG HA   H  1   4.330 0.020 . 1 . . . .  8 R HA   . 16275 1 
      100 . 1 1  8  8 ARG HB2  H  1   1.814 0.020 . 2 . . . .  8 R HB2  . 16275 1 
      101 . 1 1  8  8 ARG HB3  H  1   1.742 0.020 . 2 . . . .  8 R HB3  . 16275 1 
      102 . 1 1  8  8 ARG HD2  H  1   3.175 0.020 . 2 . . . .  8 R HD   . 16275 1 
      103 . 1 1  8  8 ARG HD3  H  1   3.175 0.020 . 2 . . . .  8 R HD   . 16275 1 
      104 . 1 1  8  8 ARG HE   H  1   7.257 0.020 . 1 . . . .  8 R HE   . 16275 1 
      105 . 1 1  8  8 ARG HG2  H  1   1.663 0.020 . 2 . . . .  8 R HG2  . 16275 1 
      106 . 1 1  8  8 ARG HG3  H  1   1.613 0.020 . 2 . . . .  8 R HG3  . 16275 1 
      107 . 1 1  8  8 ARG CA   C 13  55.580 0.050 . 1 . . . .  8 R CA   . 16275 1 
      108 . 1 1  8  8 ARG CB   C 13  30.439 0.050 . 1 . . . .  8 R CB   . 16275 1 
      109 . 1 1  8  8 ARG CD   C 13  43.003 0.050 . 1 . . . .  8 R CD   . 16275 1 
      110 . 1 1  8  8 ARG CG   C 13  26.766 0.023 . 1 . . . .  8 R CG   . 16275 1 
      111 . 1 1  8  8 ARG N    N 15 121.133 0.050 . 1 . . . .  8 R N    . 16275 1 
      112 . 1 1  9  9 LEU H    H  1   8.318 0.020 . 1 . . . .  9 L HN   . 16275 1 
      113 . 1 1  9  9 LEU HA   H  1   4.372 0.020 . 1 . . . .  9 L HA   . 16275 1 
      114 . 1 1  9  9 LEU HB2  H  1   1.618 0.020 . 2 . . . .  9 L HB   . 16275 1 
      115 . 1 1  9  9 LEU HB3  H  1   1.618 0.020 . 2 . . . .  9 L HB   . 16275 1 
      116 . 1 1  9  9 LEU HD11 H  1   0.908 0.020 . 1 . . . .  9 L HD11 . 16275 1 
      117 . 1 1  9  9 LEU HD12 H  1   0.908 0.020 . 1 . . . .  9 L HD12 . 16275 1 
      118 . 1 1  9  9 LEU HD13 H  1   0.908 0.020 . 1 . . . .  9 L HD13 . 16275 1 
      119 . 1 1  9  9 LEU HD21 H  1   0.855 0.020 . 1 . . . .  9 L HD11 . 16275 1 
      120 . 1 1  9  9 LEU HD22 H  1   0.855 0.020 . 1 . . . .  9 L HD12 . 16275 1 
      121 . 1 1  9  9 LEU HD23 H  1   0.855 0.020 . 1 . . . .  9 L HD13 . 16275 1 
      122 . 1 1  9  9 LEU HG   H  1   1.571 0.020 . 1 . . . .  9 L HG   . 16275 1 
      123 . 1 1  9  9 LEU CA   C 13  54.486 0.050 . 1 . . . .  9 L CA   . 16275 1 
      124 . 1 1  9  9 LEU CB   C 13  42.042 0.050 . 1 . . . .  9 L CB   . 16275 1 
      125 . 1 1  9  9 LEU CD1  C 13  24.706 0.050 . 1 . . . .  9 L CD1  . 16275 1 
      126 . 1 1  9  9 LEU CD2  C 13  23.187 0.050 . 1 . . . .  9 L CD2  . 16275 1 
      127 . 1 1  9  9 LEU CG   C 13  26.700 0.050 . 1 . . . .  9 L CG   . 16275 1 
      128 . 1 1  9  9 LEU N    N 15 123.195 0.050 . 1 . . . .  9 L N    . 16275 1 
      129 . 1 1 10 10 SER H    H  1   8.214 0.020 . 1 . . . . 10 S HN   . 16275 1 
      130 . 1 1 10 10 SER HA   H  1   4.409 0.020 . 1 . . . . 10 S HA   . 16275 1 
      131 . 1 1 10 10 SER HB2  H  1   3.824 0.020 . 2 . . . . 10 S HB2  . 16275 1 
      132 . 1 1 10 10 SER HB3  H  1   3.770 0.020 . 2 . . . . 10 S HB3  . 16275 1 
      133 . 1 1 10 10 SER CA   C 13  57.710 0.050 . 1 . . . . 10 S CA   . 16275 1 
      134 . 1 1 10 10 SER CB   C 13  63.529 0.050 . 1 . . . . 10 S CB   . 16275 1 
      135 . 1 1 10 10 SER N    N 15 115.753 0.050 . 1 . . . . 10 S N    . 16275 1 
      136 . 1 1 11 11 HIS H    H  1   8.478 0.020 . 1 . . . . 11 H HN   . 16275 1 
      137 . 1 1 11 11 HIS HB2  H  1   3.238 0.020 . 2 . . . . 11 H HB2  . 16275 1 
      138 . 1 1 11 11 HIS HB3  H  1   3.141 0.020 . 2 . . . . 11 H HB3  . 16275 1 
      139 . 1 1 11 11 HIS HD2  H  1   7.242 0.020 . 1 . . . . 11 H HD2  . 16275 1 
      140 . 1 1 11 11 HIS HE1  H  1   8.495 0.020 . 1 . . . . 11 H HE1  . 16275 1 
      141 . 1 1 11 11 HIS CB   C 13  28.845 0.016 . 1 . . . . 11 H CB   . 16275 1 
      142 . 1 1 11 11 HIS CD2  C 13 119.735 0.050 . 1 . . . . 11 H CD2  . 16275 1 
      143 . 1 1 11 11 HIS CE1  C 13 136.024 0.050 . 1 . . . . 11 H CE1  . 16275 1 
      144 . 1 1 12 12 LYS H    H  1   8.322 0.020 . 1 . . . . 12 K HN   . 16275 1 
      145 . 1 1 12 12 LYS HA   H  1   4.340 0.020 . 1 . . . . 12 K HA   . 16275 1 
      146 . 1 1 12 12 LYS HB2  H  1   1.806 0.020 . 2 . . . . 12 K HB2  . 16275 1 
      147 . 1 1 12 12 LYS HB3  H  1   1.688 0.020 . 2 . . . . 12 K HB3  . 16275 1 
      148 . 1 1 12 12 LYS HD2  H  1   1.643 0.020 . 2 . . . . 12 K HD   . 16275 1 
      149 . 1 1 12 12 LYS HD3  H  1   1.643 0.020 . 2 . . . . 12 K HD   . 16275 1 
      150 . 1 1 12 12 LYS HE2  H  1   2.956 0.020 . 2 . . . . 12 K HE   . 16275 1 
      151 . 1 1 12 12 LYS HE3  H  1   2.956 0.020 . 2 . . . . 12 K HE   . 16275 1 
      152 . 1 1 12 12 LYS HG2  H  1   1.377 0.020 . 2 . . . . 12 K HG   . 16275 1 
      153 . 1 1 12 12 LYS HG3  H  1   1.377 0.020 . 2 . . . . 12 K HG   . 16275 1 
      154 . 1 1 12 12 LYS CA   C 13  55.311 0.050 . 1 . . . . 12 K CA   . 16275 1 
      155 . 1 1 12 12 LYS CB   C 13  32.772 0.050 . 1 . . . . 12 K CB   . 16275 1 
      156 . 1 1 12 12 LYS CD   C 13  28.492 0.050 . 1 . . . . 12 K CD   . 16275 1 
      157 . 1 1 12 12 LYS CE   C 13  41.656 0.050 . 1 . . . . 12 K CE   . 16275 1 
      158 . 1 1 12 12 LYS CG   C 13  24.116 0.050 . 1 . . . . 12 K CG   . 16275 1 
      159 . 1 1 12 12 LYS N    N 15 123.375 0.050 . 1 . . . . 12 K N    . 16275 1 
      160 . 1 1 13 13 GLY H    H  1   8.177 0.020 . 1 . . . . 13 G HN   . 16275 1 
      161 . 1 1 13 13 GLY HA2  H  1   4.069 0.020 . 2 . . . . 13 G HA   . 16275 1 
      162 . 1 1 13 13 GLY HA3  H  1   4.069 0.020 . 2 . . . . 13 G HA   . 16275 1 
      163 . 1 1 13 13 GLY CA   C 13  43.979 0.050 . 1 . . . . 13 G CA   . 16275 1 
      164 . 1 1 13 13 GLY N    N 15 110.356 0.050 . 1 . . . . 13 G N    . 16275 1 
      165 . 1 1 14 14 PRO HA   H  1   4.434 0.020 . 1 . . . . 14 P HA   . 16275 1 
      166 . 1 1 14 14 PRO HB2  H  1   2.231 0.020 . 2 . . . . 14 P HB2  . 16275 1 
      167 . 1 1 14 14 PRO HB3  H  1   1.913 0.020 . 2 . . . . 14 P HB3  . 16275 1 
      168 . 1 1 14 14 PRO HD2  H  1   3.629 0.020 . 2 . . . . 14 P HD2  . 16275 1 
      169 . 1 1 14 14 PRO HD3  H  1   3.586 0.020 . 2 . . . . 14 P HD3  . 16275 1 
      170 . 1 1 14 14 PRO HG2  H  1   1.990 0.020 . 2 . . . . 14 P HG   . 16275 1 
      171 . 1 1 14 14 PRO HG3  H  1   1.990 0.020 . 2 . . . . 14 P HG   . 16275 1 
      172 . 1 1 14 14 PRO CA   C 13  62.741 0.050 . 1 . . . . 14 P CA   . 16275 1 
      173 . 1 1 14 14 PRO CB   C 13  31.692 0.050 . 1 . . . . 14 P CB   . 16275 1 
      174 . 1 1 14 14 PRO CD   C 13  49.233 0.020 . 1 . . . . 14 P CD   . 16275 1 
      175 . 1 1 14 14 PRO CG   C 13  26.741 0.050 . 1 . . . . 14 P CG   . 16275 1 
      176 . 1 1 15 15 MET H    H  1   8.284 0.020 . 1 . . . . 15 M HN   . 16275 1 
      177 . 1 1 15 15 MET HA   H  1   4.687 0.020 . 1 . . . . 15 M HA   . 16275 1 
      178 . 1 1 15 15 MET HB2  H  1   1.923 0.020 . 2 . . . . 15 M HB2  . 16275 1 
      179 . 1 1 15 15 MET HB3  H  1   1.863 0.020 . 2 . . . . 15 M HB3  . 16275 1 
      180 . 1 1 15 15 MET HE1  H  1   2.039 0.020 . 1 . . . . 15 M HE   . 16275 1 
      181 . 1 1 15 15 MET HE2  H  1   2.039 0.020 . 1 . . . . 15 M HE   . 16275 1 
      182 . 1 1 15 15 MET HE3  H  1   2.039 0.020 . 1 . . . . 15 M HE   . 16275 1 
      183 . 1 1 15 15 MET HG2  H  1   2.601 0.020 . 2 . . . . 15 M HG2  . 16275 1 
      184 . 1 1 15 15 MET HG3  H  1   2.497 0.020 . 2 . . . . 15 M HG3  . 16275 1 
      185 . 1 1 15 15 MET CB   C 13  32.253 0.050 . 1 . . . . 15 M CB   . 16275 1 
      186 . 1 1 15 15 MET CE   C 13  16.870 0.050 . 1 . . . . 15 M CE   . 16275 1 
      187 . 1 1 15 15 MET CG   C 13  32.051 0.050 . 1 . . . . 15 M CG   . 16275 1 
      188 . 1 1 15 15 MET N    N 15 120.981 0.050 . 1 . . . . 15 M N    . 16275 1 
      189 . 1 1 16 16 PRO HA   H  1   4.403 0.020 . 1 . . . . 16 P HA   . 16275 1 
      190 . 1 1 16 16 PRO HB2  H  1   2.104 0.020 . 2 . . . . 16 P HB2  . 16275 1 
      191 . 1 1 16 16 PRO HB3  H  1   1.754 0.020 . 2 . . . . 16 P HB3  . 16275 1 
      192 . 1 1 16 16 PRO HD2  H  1   3.698 0.020 . 2 . . . . 16 P HD2  . 16275 1 
      193 . 1 1 16 16 PRO HD3  H  1   3.484 0.020 . 2 . . . . 16 P HD3  . 16275 1 
      194 . 1 1 16 16 PRO HG2  H  1   1.911 0.020 . 2 . . . . 16 P HG   . 16275 1 
      195 . 1 1 16 16 PRO HG3  H  1   1.911 0.020 . 2 . . . . 16 P HG   . 16275 1 
      196 . 1 1 16 16 PRO CA   C 13  62.886 0.050 . 1 . . . . 16 P CA   . 16275 1 
      197 . 1 1 16 16 PRO CB   C 13  30.852 0.045 . 1 . . . . 16 P CB   . 16275 1 
      198 . 1 1 16 16 PRO CD   C 13  49.791 0.028 . 1 . . . . 16 P CD   . 16275 1 
      199 . 1 1 16 16 PRO CG   C 13  26.560 0.050 . 1 . . . . 16 P CG   . 16275 1 
      200 . 1 1 17 17 PHE H    H  1   7.244 0.020 . 1 . . . . 17 F HN   . 16275 1 
      201 . 1 1 17 17 PHE HA   H  1   4.401 0.020 . 1 . . . . 17 F HA   . 16275 1 
      202 . 1 1 17 17 PHE HB2  H  1   3.118 0.020 . 2 . . . . 17 F HB2  . 16275 1 
      203 . 1 1 17 17 PHE HB3  H  1   3.007 0.020 . 2 . . . . 17 F HB3  . 16275 1 
      204 . 1 1 17 17 PHE HD1  H  1   7.183 0.020 . 3 . . . . 17 F HD   . 16275 1 
      205 . 1 1 17 17 PHE HD2  H  1   7.183 0.020 . 3 . . . . 17 F HD   . 16275 1 
      206 . 1 1 17 17 PHE HE1  H  1   7.280 0.020 . 3 . . . . 17 F HE   . 16275 1 
      207 . 1 1 17 17 PHE HE2  H  1   7.280 0.020 . 3 . . . . 17 F HE   . 16275 1 
      208 . 1 1 17 17 PHE HZ   H  1   7.229 0.020 . 1 . . . . 17 F HZ   . 16275 1 
      209 . 1 1 17 17 PHE CA   C 13  57.807 0.050 . 1 . . . . 17 F CA   . 16275 1 
      210 . 1 1 17 17 PHE CB   C 13  39.687 0.050 . 1 . . . . 17 F CB   . 16275 1 
      211 . 1 1 17 17 PHE CD1  C 13 131.541 0.050 . 3 . . . . 17 F CD   . 16275 1 
      212 . 1 1 17 17 PHE CD2  C 13 131.541 0.050 . 3 . . . . 17 F CD   . 16275 1 
      213 . 1 1 17 17 PHE CE1  C 13 130.657 0.185 . 3 . . . . 17 F CE   . 16275 1 
      214 . 1 1 17 17 PHE CE2  C 13 130.657 0.185 . 3 . . . . 17 F CE   . 16275 1 
      215 . 1 1 17 17 PHE CZ   C 13 129.049 0.185 . 1 . . . . 17 F CZ   . 16275 1 
      216 . 1 1 17 17 PHE N    N 15 122.035 0.050 . 1 . . . . 17 F N    . 16275 1 

   stop_

save_