Content for NMR-STAR saveframe, "assigned_chem_shift_list_5"

    save_assigned_chem_shift_list_5
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_5
   _Assigned_chem_shift_list.Entry_ID                      16873
   _Assigned_chem_shift_list.ID                            5
   _Assigned_chem_shift_list.Sample_condition_list_ID      5
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_5
   _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

      19 '2D 13C-13C'              . . . 16873 5 
      20 '2D 13C-13C SPC5'         . . . 16873 5 
      21 '2D 15N-(13CO)-13CX'      . . . 16873 5 
      22 '2D 15N-(13CA)-13CX'      . . . 16873 5 
      23 '2D 13C-(15N-13CO)-13CX'  . . . 16873 5 
      24 '3D 15N-13CA-13CX'        . . . 16873 5 
      25 '3D 13CA-15N-(13CO)-13CX' . . . 16873 5 
      26 '3D 15N-13CO-13CX'        . . . 16873 5 

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      2 $SPARKY . . 16873 5 

   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 MET C   C 13 171.269 0.085 . 1 . . . .  1 M C   . 16873 5 
        2 . 1 1  1  1 MET CA  C 13  54.346 0.019 . 1 . . . .  1 M CA  . 16873 5 
        3 . 1 1  1  1 MET CB  C 13  32.452 0.021 . 1 . . . .  1 M CB  . 16873 5 
        4 . 1 1  1  1 MET CG  C 13  30.221 0.027 . 1 . . . .  1 M CG  . 16873 5 
        5 . 1 1  1  1 MET N   N 15  40.32  0.008 . 1 . . . .  1 M N*  . 16873 5 
        6 . 1 1  2  2 GLN C   C 13 175.078 0.087 . 1 . . . .  2 Q C   . 16873 5 
        7 . 1 1  2  2 GLN CA  C 13  55.841 0.086 . 1 . . . .  2 Q CA  . 16873 5 
        8 . 1 1  2  2 GLN CB  C 13  30.489 0.072 . 1 . . . .  2 Q CB  . 16873 5 
        9 . 1 1  2  2 GLN CD  C 13 180.335 0.099 . 1 . . . .  2 Q CD  . 16873 5 
       10 . 1 1  2  2 GLN CG  C 13  35.324 0.102 . 1 . . . .  2 Q CG  . 16873 5 
       11 . 1 1  2  2 GLN N   N 15 125.301 0.043 . 1 . . . .  2 Q N   . 16873 5 
       12 . 1 1  2  2 GLN NE2 N 15 113.156 0.065 . 1 . . . .  2 Q NE  . 16873 5 
       13 . 1 1  3  3 TYR C   C 13 175.097 0.088 . 1 . . . .  3 Y C   . 16873 5 
       14 . 1 1  3  3 TYR CA  C 13  57.067 0.076 . 1 . . . .  3 Y CA  . 16873 5 
       15 . 1 1  3  3 TYR N   N 15 123.654 0.064 . 1 . . . .  3 Y N   . 16873 5 
       16 . 1 1  4  4 LYS C   C 13 173.497 0.000 . 1 . . . .  4 K C   . 16873 5 
       17 . 1 1  4  4 LYS CA  C 13  54.880 0.058 . 1 . . . .  4 K CA  . 16873 5 
       18 . 1 1  4  4 LYS CB  C 13  36.234 0.085 . 1 . . . .  4 K CB  . 16873 5 
       19 . 1 1  4  4 LYS CD  C 13  29.015 0.050 . 1 . . . .  4 K CD  . 16873 5 
       20 . 1 1  4  4 LYS CE  C 13  42.291 0.000 . 1 . . . .  4 K CE  . 16873 5 
       21 . 1 1  4  4 LYS CG  C 13  25.588 0.044 . 1 . . . .  4 K CG  . 16873 5 
       22 . 1 1  4  4 LYS N   N 15 122.526 0.079 . 1 . . . .  4 K N   . 16873 5 
       23 . 1 1  4  4 LYS NZ  N 15  33.24  0.014 . 1 . . . .  4 K NZ* . 16873 5 
       24 . 1 1  5  5 LEU C   C 13 174.876 0.041 . 1 . . . .  5 L C   . 16873 5 
       25 . 1 1  5  5 LEU CA  C 13  52.971 0.053 . 1 . . . .  5 L CA  . 16873 5 
       26 . 1 1  5  5 LEU CB  C 13  42.442 0.048 . 1 . . . .  5 L CB  . 16873 5 
       27 . 1 1  5  5 LEU CD1 C 13  25.840 0.000 . 2 . . . .  5 L CD1 . 16873 5 
       28 . 1 1  5  5 LEU CD2 C 13  25.062 0.000 . 2 . . . .  5 L CD2 . 16873 5 
       29 . 1 1  5  5 LEU CG  C 13  27.359 0.000 . 1 . . . .  5 L CG  . 16873 5 
       30 . 1 1  5  5 LEU N   N 15 126.465 0.024 . 1 . . . .  5 L N   . 16873 5 
       31 . 1 1  6  6 ILE C   C 13 175.186 0.000 . 1 . . . .  6 I C   . 16873 5 
       32 . 1 1  6  6 ILE CA  C 13  60.067 0.054 . 1 . . . .  6 I CA  . 16873 5 
       33 . 1 1  6  6 ILE CB  C 13  37.843 0.055 . 1 . . . .  6 I CB  . 16873 5 
       34 . 1 1  6  6 ILE CD1 C 13  12.696 0.000 . 1 . . . .  6 I CD1 . 16873 5 
       35 . 1 1  6  6 ILE CG1 C 13  27.471 0.000 . 1 . . . .  6 I CG1 . 16873 5 
       36 . 1 1  6  6 ILE CG2 C 13  17.699 0.000 . 1 . . . .  6 I CG2 . 16873 5 
       37 . 1 1  6  6 ILE N   N 15 126.219 0.014 . 1 . . . .  6 I N   . 16873 5 
       38 . 1 1  7  7 LEU C   C 13 175.067 0.085 . 1 . . . .  7 L C   . 16873 5 
       39 . 1 1  7  7 LEU CA  C 13  54.605 0.055 . 1 . . . .  7 L CA  . 16873 5 
       40 . 1 1  7  7 LEU CB  C 13  42.999 0.060 . 1 . . . .  7 L CB  . 16873 5 
       41 . 1 1  7  7 LEU CD1 C 13  27.117 0.000 . 2 . . . .  7 L CD1 . 16873 5 
       42 . 1 1  7  7 LEU CD2 C 13  25.169 0.000 . 2 . . . .  7 L CD2 . 16873 5 
       43 . 1 1  7  7 LEU N   N 15 127.106 0.115 . 1 . . . .  7 L N   . 16873 5 
       44 . 1 1  8  8 ASN C   C 13 176.447 0.117 . 1 . . . .  8 N C   . 16873 5 
       45 . 1 1  8  8 ASN CA  C 13  50.677 0.075 . 1 . . . .  8 N CA  . 16873 5 
       46 . 1 1  8  8 ASN CB  C 13  38.331 0.074 . 1 . . . .  8 N CB  . 16873 5 
       47 . 1 1  8  8 ASN CG  C 13 176.645 0.068 . 1 . . . .  8 N CG  . 16873 5 
       48 . 1 1  8  8 ASN N   N 15 125.055 0.088 . 1 . . . .  8 N N   . 16873 5 
       49 . 1 1  8  8 ASN ND2 N 15 110.690 0.038 . 1 . . . .  8 N ND  . 16873 5 
       50 . 1 1  9  9 GLY C   C 13 173.314 0.051 . 1 . . . .  9 G C   . 16873 5 
       51 . 1 1  9  9 GLY CA  C 13  44.551 0.059 . 1 . . . .  9 G CA  . 16873 5 
       52 . 1 1  9  9 GLY N   N 15 109.527 0.063 . 1 . . . .  9 G N   . 16873 5 
       53 . 1 1 10 10 LYS C   C 13 179.261 0.063 . 1 . . . . 10 K C   . 16873 5 
       54 . 1 1 10 10 LYS CA  C 13  59.176 0.117 . 1 . . . . 10 K CA  . 16873 5 
       55 . 1 1 10 10 LYS CB  C 13  32.818 0.010 . 1 . . . . 10 K CB  . 16873 5 
       56 . 1 1 10 10 LYS CE  C 13  43.296 1.433 . 1 . . . . 10 K CE  . 16873 5 
       57 . 1 1 10 10 LYS CG  C 13  25.799 0.015 . 1 . . . . 10 K CG  . 16873 5 
       58 . 1 1 10 10 LYS NZ  N 15  33.45  0.055 . 1 . . . . 10 K N*  . 16873 5 
       59 . 1 1 10 10 LYS N   N 15 120.845 0.055 . 1 . . . . 10 K N   . 16873 5 
       60 . 1 1 11 11 THR C   C 13 173.377 0.020 . 1 . . . . 11 T C   . 16873 5 
       61 . 1 1 11 11 THR CA  C 13  61.954 0.043 . 1 . . . . 11 T CA  . 16873 5 
       62 . 1 1 11 11 THR CB  C 13  69.498 0.073 . 1 . . . . 11 T CB  . 16873 5 
       63 . 1 1 11 11 THR CG2 C 13  22.695 0.047 . 1 . . . . 11 T CG2 . 16873 5 
       64 . 1 1 11 11 THR N   N 15 106.485 0.182 . 1 . . . . 11 T N   . 16873 5 
       65 . 1 1 12 12 LEU C   C 13 173.895 0.009 . 1 . . . . 12 L C   . 16873 5 
       66 . 1 1 12 12 LEU CA  C 13  54.458 0.077 . 1 . . . . 12 L CA  . 16873 5 
       67 . 1 1 12 12 LEU CB  C 13  43.260 0.065 . 1 . . . . 12 L CB  . 16873 5 
       68 . 1 1 12 12 LEU CD1 C 13  26.119 0.032 . 2 . . . . 12 L CD1 . 16873 5 
       69 . 1 1 12 12 LEU CD2 C 13  23.084 0.023 . 2 . . . . 12 L CD2 . 16873 5 
       70 . 1 1 12 12 LEU CG  C 13  27.946 0.011 . 1 . . . . 12 L CG  . 16873 5 
       71 . 1 1 12 12 LEU N   N 15 127.476 0.113 . 1 . . . . 12 L N   . 16873 5 
       72 . 1 1 13 13 LYS C   C 13 175.831 0.043 . 1 . . . . 13 K C   . 16873 5 
       73 . 1 1 13 13 LYS CA  C 13  53.389 0.039 . 1 . . . . 13 K CA  . 16873 5 
       74 . 1 1 13 13 LYS CB  C 13  38.905 0.023 . 1 . . . . 13 K CB  . 16873 5 
       75 . 1 1 13 13 LYS CD  C 13  29.777 0.000 . 1 . . . . 13 K CD  . 16873 5 
       76 . 1 1 13 13 LYS CE  C 13  42.924 0.000 . 1 . . . . 13 K CE  . 16873 5 
       77 . 1 1 13 13 LYS CG  C 13  26.151 0.011 . 1 . . . . 13 K CG  . 16873 5 
       78 . 1 1 13 13 LYS N   N 15 123.080 0.036 . 1 . . . . 13 K N   . 16873 5 
       79 . 1 1 13 13 LYS NZ  N 15  31.54  0.036 . 1 . . . . 13 K NZ* . 16873 5 
       80 . 1 1 14 14 GLY C   C 13 171.434 0.113 . 1 . . . . 14 G C   . 16873 5 
       81 . 1 1 14 14 GLY CA  C 13  44.962 0.071 . 1 . . . . 14 G CA  . 16873 5 
       82 . 1 1 14 14 GLY N   N 15 105.508 0.053 . 1 . . . . 14 G N   . 16873 5 
       83 . 1 1 15 15 GLU C   C 13 174.041 0.078 . 1 . . . . 15 E C   . 16873 5 
       84 . 1 1 15 15 GLU CA  C 13  53.884 0.084 . 1 . . . . 15 E CA  . 16873 5 
       85 . 1 1 15 15 GLU CB  C 13  33.761 0.088 . 1 . . . . 15 E CB  . 16873 5 
       86 . 1 1 15 15 GLU CD  C 13 181.479 0.071 . 1 . . . . 15 E CD  . 16873 5 
       87 . 1 1 15 15 GLU CG  C 13  34.834 0.086 . 1 . . . . 15 E CG  . 16873 5 
       88 . 1 1 15 15 GLU N   N 15 121.191 0.066 . 1 . . . . 15 E N   . 16873 5 
       89 . 1 1 16 16 THR C   C 13 172.175 0.049 . 1 . . . . 16 T C   . 16873 5 
       90 . 1 1 16 16 THR CA  C 13  60.092 0.059 . 1 . . . . 16 T CA  . 16873 5 
       91 . 1 1 16 16 THR CB  C 13  70.459 0.032 . 1 . . . . 16 T CB  . 16873 5 
       92 . 1 1 16 16 THR CG2 C 13  20.123 0.014 . 1 . . . . 16 T CG2 . 16873 5 
       93 . 1 1 16 16 THR N   N 15 115.486 0.073 . 1 . . . . 16 T N   . 16873 5 
       94 . 1 1 17 17 THR C   C 13 174.180 0.044 . 1 . . . . 17 T C   . 16873 5 
       95 . 1 1 17 17 THR CA  C 13  60.200 0.137 . 1 . . . . 17 T CA  . 16873 5 
       96 . 1 1 17 17 THR CG2 C 13  20.137 0.000 . 1 . . . . 17 T CG2 . 16873 5 
       97 . 1 1 17 17 THR N   N 15 115.692 0.228 . 1 . . . . 17 T N   . 16873 5 
       98 . 1 1 18 18 THR C   C 13 171.390 0.092 . 1 . . . . 18 T C   . 16873 5 
       99 . 1 1 18 18 THR CA  C 13  61.422 0.060 . 1 . . . . 18 T CA  . 16873 5 
      100 . 1 1 18 18 THR CB  C 13  70.779 0.003 . 1 . . . . 18 T CB  . 16873 5 
      101 . 1 1 18 18 THR CG2 C 13  18.907 0.022 . 1 . . . . 18 T CG2 . 16873 5 
      102 . 1 1 18 18 THR N   N 15 115.932 0.040 . 1 . . . . 18 T N   . 16873 5 
      103 . 1 1 19 19 GLU C   C 13 175.927 0.040 . 1 . . . . 19 E C   . 16873 5 
      104 . 1 1 19 19 GLU CA  C 13  54.288 0.055 . 1 . . . . 19 E CA  . 16873 5 
      105 . 1 1 19 19 GLU CB  C 13  30.583 0.079 . 1 . . . . 19 E CB  . 16873 5 
      106 . 1 1 19 19 GLU CD  C 13 182.239 0.092 . 1 . . . . 19 E CD  . 16873 5 
      107 . 1 1 19 19 GLU CG  C 13  35.548 0.053 . 1 . . . . 19 E CG  . 16873 5 
      108 . 1 1 19 19 GLU N   N 15 125.198 0.057 . 1 . . . . 19 E N   . 16873 5 
      109 . 1 1 20 20 ALA C   C 13 177.780 0.043 . 1 . . . . 20 A C   . 16873 5 
      110 . 1 1 20 20 ALA CA  C 13  50.691 0.038 . 1 . . . . 20 A CA  . 16873 5 
      111 . 1 1 20 20 ALA CB  C 13  23.660 0.006 . 1 . . . . 20 A CB  . 16873 5 
      112 . 1 1 20 20 ALA N   N 15 125.436 0.091 . 1 . . . . 20 A N   . 16873 5 
      113 . 1 1 21 21 VAL C   C 13 174.983 0.076 . 1 . . . . 21 V C   . 16873 5 
      114 . 1 1 21 21 VAL CA  C 13  63.504 0.086 . 1 . . . . 21 V CA  . 16873 5 
      115 . 1 1 21 21 VAL CB  C 13  31.924 0.073 . 1 . . . . 21 V CB  . 16873 5 
      116 . 1 1 21 21 VAL CG2 C 13  20.927 0.011 . 2 . . . . 21 V CG2 . 16873 5 
      117 . 1 1 21 21 VAL N   N 15 116.501 0.020 . 1 . . . . 21 V N   . 16873 5 
      118 . 1 1 22 22 ASP C   C 13 175.085 0.057 . 1 . . . . 22 D C   . 16873 5 
      119 . 1 1 22 22 ASP CA  C 13  52.486 0.058 . 1 . . . . 22 D CA  . 16873 5 
      120 . 1 1 22 22 ASP CB  C 13  42.237 0.049 . 1 . . . . 22 D CB  . 16873 5 
      121 . 1 1 22 22 ASP CG  C 13 179.871 0.065 . 1 . . . . 22 D CG  . 16873 5 
      122 . 1 1 22 22 ASP N   N 15 115.526 0.047 . 1 . . . . 22 D N   . 16873 5 
      123 . 1 1 23 23 ALA C   C 13 179.812 0.023 . 1 . . . . 23 A C   . 16873 5 
      124 . 1 1 23 23 ALA CA  C 13  54.437 0.081 . 1 . . . . 23 A CA  . 16873 5 
      125 . 1 1 23 23 ALA CB  C 13  18.283 0.014 . 1 . . . . 23 A CB  . 16873 5 
      126 . 1 1 23 23 ALA N   N 15 122.747 0.053 . 1 . . . . 23 A N   . 16873 5 
      127 . 1 1 24 24 ALA C   C 13 181.541 0.061 . 1 . . . . 24 A C   . 16873 5 
      128 . 1 1 24 24 ALA CA  C 13  54.599 0.136 . 1 . . . . 24 A CA  . 16873 5 
      129 . 1 1 24 24 ALA CB  C 13  18.256 0.013 . 1 . . . . 24 A CB  . 16873 5 
      130 . 1 1 24 24 ALA N   N 15 120.654 0.055 . 1 . . . . 24 A N   . 16873 5 
      131 . 1 1 25 25 THR C   C 13 176.016 0.031 . 1 . . . . 25 T C   . 16873 5 
      132 . 1 1 25 25 THR CA  C 13  67.255 0.178 . 1 . . . . 25 T CA  . 16873 5 
      133 . 1 1 25 25 THR CB  C 13  67.820 0.051 . 1 . . . . 25 T CB  . 16873 5 
      134 . 1 1 25 25 THR CG2 C 13  21.444 0.012 . 1 . . . . 25 T CG2 . 16873 5 
      135 . 1 1 25 25 THR N   N 15 117.077 0.055 . 1 . . . . 25 T N   . 16873 5 
      136 . 1 1 26 26 ALA CA  C 13  55.067 0.019 . 1 . . . . 26 A CA  . 16873 5 
      137 . 1 1 26 26 ALA CB  C 13  17.552 0.010 . 1 . . . . 26 A CB  . 16873 5 
      138 . 1 1 26 26 ALA N   N 15 123.943 0.013 . 1 . . . . 26 A N   . 16873 5 
      139 . 1 1 27 27 GLU C   C 13 177.859 0.065 . 1 . . . . 27 E C   . 16873 5 
      140 . 1 1 27 27 GLU CA  C 13  59.086 0.055 . 1 . . . . 27 E CA  . 16873 5 
      141 . 1 1 27 27 GLU CB  C 13  29.025 0.042 . 1 . . . . 27 E CB  . 16873 5 
      142 . 1 1 27 27 GLU CD  C 13 181.688 0.086 . 1 . . . . 27 E CD  . 16873 5 
      143 . 1 1 27 27 GLU CG  C 13  35.502 0.035 . 1 . . . . 27 E CG  . 16873 5 
      144 . 1 1 27 27 GLU N   N 15 116.280 0.045 . 1 . . . . 27 E N   . 16873 5 
      145 . 1 1 28 28 LYS C   C 13 179.275 0.091 . 1 . . . . 28 K C   . 16873 5 
      146 . 1 1 28 28 LYS CA  C 13  60.265 0.066 . 1 . . . . 28 K CA  . 16873 5 
      147 . 1 1 28 28 LYS CB  C 13  32.826 0.033 . 1 . . . . 28 K CB  . 16873 5 
      148 . 1 1 28 28 LYS CD  C 13  30.137 0.013 . 1 . . . . 28 K CD  . 16873 5 
      149 . 1 1 28 28 LYS CE  C 13  42.234 0.000 . 1 . . . . 28 K CE  . 16873 5 
      150 . 1 1 28 28 LYS CG  C 13  26.541 0.014 . 1 . . . . 28 K CG  . 16873 5 
      151 . 1 1 28 28 LYS N   N 15 117.292 0.037 . 1 . . . . 28 K N   . 16873 5 
      152 . 1 1 28 28 LYS NZ  N 15  32.83  0.037 . 1 . . . . 28 K NZ* . 16873 5 
      153 . 1 1 29 29 VAL C   C 13 179.157 0.059 . 1 . . . . 29 V C   . 16873 5 
      154 . 1 1 29 29 VAL CA  C 13  66.298 0.047 . 1 . . . . 29 V CA  . 16873 5 
      155 . 1 1 29 29 VAL CB  C 13  31.980 0.047 . 1 . . . . 29 V CB  . 16873 5 
      156 . 1 1 29 29 VAL CG1 C 13  22.256 0.000 . 2 . . . . 29 V CG1 . 16873 5 
      157 . 1 1 29 29 VAL CG2 C 13  21.016 0.000 . 2 . . . . 29 V CG2 . 16873 5 
      158 . 1 1 29 29 VAL N   N 15 119.244 0.015 . 1 . . . . 29 V N   . 16873 5 
      159 . 1 1 30 30 PHE C   C 13 179.173 0.145 . 1 . . . . 30 F C   . 16873 5 
      160 . 1 1 30 30 PHE CA  C 13  57.531 0.091 . 1 . . . . 30 F CA  . 16873 5 
      161 . 1 1 30 30 PHE CB  C 13  37.459 0.105 . 1 . . . . 30 F CB  . 16873 5 
      162 . 1 1 30 30 PHE CD1 C 13 132.326 0.000 . 3 . . . . 30 F CD1 . 16873 5 
      163 . 1 1 30 30 PHE N   N 15 118.557 0.152 . 1 . . . . 30 F N   . 16873 5 
      164 . 1 1 31 31 LYS C   C 13 179.814 0.066 . 1 . . . . 31 K C   . 16873 5 
      165 . 1 1 31 31 LYS CA  C 13  60.099 0.048 . 1 . . . . 31 K CA  . 16873 5 
      166 . 1 1 31 31 LYS CB  C 13  31.680 0.023 . 1 . . . . 31 K CB  . 16873 5 
      167 . 1 1 31 31 LYS CD  C 13  29.370 0.040 . 1 . . . . 31 K CD  . 16873 5 
      168 . 1 1 31 31 LYS CE  C 13  41.206 0.000 . 1 . . . . 31 K CE  . 16873 5 
      169 . 1 1 31 31 LYS CG  C 13  27.300 0.015 . 1 . . . . 31 K CG  . 16873 5 
      170 . 1 1 31 31 LYS N   N 15 120.674 0.037 . 1 . . . . 31 K N   . 16873 5 
      171 . 1 1 31 31 LYS NZ  N 15  32.26  0.037 . 1 . . . . 31 K NZ* . 16873 5 
      172 . 1 1 32 32 GLN C   C 13 177.572 0.071 . 1 . . . . 32 Q C   . 16873 5 
      173 . 1 1 32 32 GLN CA  C 13  58.851 0.084 . 1 . . . . 32 Q CA  . 16873 5 
      174 . 1 1 32 32 GLN CB  C 13  28.940 0.041 . 1 . . . . 32 Q CB  . 16873 5 
      175 . 1 1 32 32 GLN CD  C 13 179.929 0.075 . 1 . . . . 32 Q CD  . 16873 5 
      176 . 1 1 32 32 GLN CG  C 13  34.145 0.055 . 1 . . . . 32 Q CG  . 16873 5 
      177 . 1 1 32 32 GLN N   N 15 121.156 0.092 . 1 . . . . 32 Q N   . 16873 5 
      178 . 1 1 32 32 GLN NE2 N 15 115.853 0.078 . 1 . . . . 32 Q NE  . 16873 5 
      179 . 1 1 33 33 TYR C   C 13 178.754 0.066 . 1 . . . . 33 Y C   . 16873 5 
      180 . 1 1 33 33 TYR CA  C 13  61.660 0.120 . 1 . . . . 33 Y CA  . 16873 5 
      181 . 1 1 33 33 TYR CB  C 13  36.728 0.074 . 1 . . . . 33 Y CB  . 16873 5 
      182 . 1 1 33 33 TYR CD1 C 13 132.680 0.000 . 3 . . . . 33 Y CD1 . 16873 5 
      183 . 1 1 33 33 TYR N   N 15 121.016 0.302 . 1 . . . . 33 Y N   . 16873 5 
      184 . 1 1 34 34 ALA C   C 13 179.621 0.087 . 1 . . . . 34 A C   . 16873 5 
      185 . 1 1 34 34 ALA CA  C 13  56.090 0.041 . 1 . . . . 34 A CA  . 16873 5 
      186 . 1 1 34 34 ALA CB  C 13  18.074 0.046 . 1 . . . . 34 A CB  . 16873 5 
      187 . 1 1 34 34 ALA N   N 15 122.608 0.047 . 1 . . . . 34 A N   . 16873 5 
      188 . 1 1 35 35 ASN C   C 13 179.683 0.088 . 1 . . . . 35 N C   . 16873 5 
      189 . 1 1 35 35 ASN CA  C 13  57.006 0.079 . 1 . . . . 35 N CA  . 16873 5 
      190 . 1 1 35 35 ASN CB  C 13  39.321 0.050 . 1 . . . . 35 N CB  . 16873 5 
      191 . 1 1 35 35 ASN CG  C 13 176.075 0.062 . 1 . . . . 35 N CG  . 16873 5 
      192 . 1 1 35 35 ASN N   N 15 118.168 0.021 . 1 . . . . 35 N N   . 16873 5 
      193 . 1 1 35 35 ASN ND2 N 15 113.343 0.024 . 1 . . . . 35 N ND  . 16873 5 
      194 . 1 1 36 36 ASP C   C 13 176.171 0.069 . 1 . . . . 36 D C   . 16873 5 
      195 . 1 1 36 36 ASP CA  C 13  55.937 0.051 . 1 . . . . 36 D CA  . 16873 5 
      196 . 1 1 36 36 ASP CB  C 13  38.321 0.040 . 1 . . . . 36 D CB  . 16873 5 
      197 . 1 1 36 36 ASP CG  C 13 177.767 0.053 . 1 . . . . 36 D CG  . 16873 5 
      198 . 1 1 36 36 ASP N   N 15 121.097 0.102 . 1 . . . . 36 D N   . 16873 5 
      199 . 1 1 37 37 ASN C   C 13 174.268 0.074 . 1 . . . . 37 N C   . 16873 5 
      200 . 1 1 37 37 ASN CA  C 13  53.535 0.038 . 1 . . . . 37 N CA  . 16873 5 
      201 . 1 1 37 37 ASN CB  C 13  40.328 0.075 . 1 . . . . 37 N CB  . 16873 5 
      202 . 1 1 37 37 ASN CG  C 13 176.824 0.076 . 1 . . . . 37 N CG  . 16873 5 
      203 . 1 1 37 37 ASN N   N 15 114.861 0.051 . 1 . . . . 37 N N   . 16873 5 
      204 . 1 1 37 37 ASN ND2 N 15 114.399 0.063 . 1 . . . . 37 N ND  . 16873 5 
      205 . 1 1 38 38 GLY C   C 13 174.015 0.066 . 1 . . . . 38 G C   . 16873 5 
      206 . 1 1 38 38 GLY CA  C 13  46.847 0.116 . 1 . . . . 38 G CA  . 16873 5 
      207 . 1 1 38 38 GLY N   N 15 108.442 0.039 . 1 . . . . 38 G N   . 16873 5 
      208 . 1 1 39 39 VAL C   C 13 175.225 0.179 . 1 . . . . 39 V C   . 16873 5 
      209 . 1 1 39 39 VAL CA  C 13  61.727 0.057 . 1 . . . . 39 V CA  . 16873 5 
      210 . 1 1 39 39 VAL CB  C 13  31.948 0.055 . 1 . . . . 39 V CB  . 16873 5 
      211 . 1 1 39 39 VAL CG1 C 13  21.997 0.054 . 2 . . . . 39 V CG1 . 16873 5 
      212 . 1 1 39 39 VAL N   N 15 121.661 0.029 . 1 . . . . 39 V N   . 16873 5 
      213 . 1 1 40 40 ASP C   C 13 174.997 0.083 . 1 . . . . 40 D C   . 16873 5 
      214 . 1 1 40 40 ASP CA  C 13  52.733 0.226 . 1 . . . . 40 D CA  . 16873 5 
      215 . 1 1 40 40 ASP CB  C 13  41.566 0.048 . 1 . . . . 40 D CB  . 16873 5 
      216 . 1 1 40 40 ASP CG  C 13 180.627 0.064 . 1 . . . . 40 D CG  . 16873 5 
      217 . 1 1 40 40 ASP N   N 15 130.938 0.071 . 1 . . . . 40 D N   . 16873 5 
      218 . 1 1 41 41 GLY C   C 13 172.840 0.008 . 1 . . . . 41 G C   . 16873 5 
      219 . 1 1 41 41 GLY CA  C 13  45.095 0.095 . 1 . . . . 41 G CA  . 16873 5 
      220 . 1 1 41 41 GLY N   N 15 108.134 0.061 . 1 . . . . 41 G N   . 16873 5 
      221 . 1 1 42 42 GLU C   C 13 177.926 0.072 . 1 . . . . 42 E C   . 16873 5 
      222 . 1 1 42 42 GLU CA  C 13  55.011 0.070 . 1 . . . . 42 E CA  . 16873 5 
      223 . 1 1 42 42 GLU CB  C 13  31.256 0.060 . 1 . . . . 42 E CB  . 16873 5 
      224 . 1 1 42 42 GLU CD  C 13 181.315 0.078 . 1 . . . . 42 E CD  . 16873 5 
      225 . 1 1 42 42 GLU CG  C 13  35.470 0.081 . 1 . . . . 42 E CG  . 16873 5 
      226 . 1 1 42 42 GLU N   N 15 118.753 0.009 . 1 . . . . 42 E N   . 16873 5 
      227 . 1 1 43 43 TRP C   C 13 177.521 0.010 . 1 . . . . 43 W C   . 16873 5 
      228 . 1 1 43 43 TRP CA  C 13  57.474 0.067 . 1 . . . . 43 W CA  . 16873 5 
      229 . 1 1 43 43 TRP CB  C 13  33.892 0.056 . 1 . . . . 43 W CB  . 16873 5 
      230 . 1 1 43 43 TRP N   N 15 124.909 0.044 . 1 . . . . 43 W N   . 16873 5 
      231 . 1 1 44 44 THR C   C 13 173.979 0.000 . 1 . . . . 44 T C   . 16873 5 
      232 . 1 1 44 44 THR CA  C 13  60.974 0.042 . 1 . . . . 44 T CA  . 16873 5 
      233 . 1 1 44 44 THR CB  C 13  73.048 0.029 . 1 . . . . 44 T CB  . 16873 5 
      234 . 1 1 44 44 THR CG2 C 13  21.031 0.021 . 1 . . . . 44 T CG2 . 16873 5 
      235 . 1 1 44 44 THR N   N 15 109.266 0.008 . 1 . . . . 44 T N   . 16873 5 
      236 . 1 1 45 45 TYR C   C 13 171.892 0.066 . 1 . . . . 45 Y C   . 16873 5 
      237 . 1 1 45 45 TYR CA  C 13  57.895 0.052 . 1 . . . . 45 Y CA  . 16873 5 
      238 . 1 1 45 45 TYR CB  C 13  43.086 0.228 . 1 . . . . 45 Y CB  . 16873 5 
      239 . 1 1 45 45 TYR N   N 15 118.680 0.113 . 1 . . . . 45 Y N   . 16873 5 
      240 . 1 1 46 46 ASP C   C 13 176.195 0.087 . 1 . . . . 46 D C   . 16873 5 
      241 . 1 1 46 46 ASP CA  C 13  50.843 0.070 . 1 . . . . 46 D CA  . 16873 5 
      242 . 1 1 46 46 ASP CB  C 13  42.301 0.133 . 1 . . . . 46 D CB  . 16873 5 
      243 . 1 1 46 46 ASP CG  C 13 180.122 0.089 . 1 . . . . 46 D CG  . 16873 5 
      244 . 1 1 46 46 ASP N   N 15 126.332 0.059 . 1 . . . . 46 D N   . 16873 5 
      245 . 1 1 47 47 ASP C   C 13 177.390 0.066 . 1 . . . . 47 D C   . 16873 5 
      246 . 1 1 47 47 ASP CA  C 13  54.705 0.108 . 1 . . . . 47 D CA  . 16873 5 
      247 . 1 1 47 47 ASP CB  C 13  43.022 0.043 . 1 . . . . 47 D CB  . 16873 5 
      248 . 1 1 47 47 ASP CG  C 13 179.772 0.032 . 1 . . . . 47 D CG  . 16873 5 
      249 . 1 1 47 47 ASP N   N 15 123.325 0.068 . 1 . . . . 47 D N   . 16873 5 
      250 . 1 1 48 48 ALA C   C 13 179.693 0.089 . 1 . . . . 48 A C   . 16873 5 
      251 . 1 1 48 48 ALA CA  C 13  54.042 0.059 . 1 . . . . 48 A CA  . 16873 5 
      252 . 1 1 48 48 ALA CB  C 13  19.035 0.014 . 1 . . . . 48 A CB  . 16873 5 
      253 . 1 1 48 48 ALA N   N 15 118.830 0.055 . 1 . . . . 48 A N   . 16873 5 
      254 . 1 1 49 49 THR C   C 13 175.849 0.060 . 1 . . . . 49 T C   . 16873 5 
      255 . 1 1 49 49 THR CA  C 13  60.252 0.029 . 1 . . . . 49 T CA  . 16873 5 
      256 . 1 1 49 49 THR CB  C 13  69.877 0.029 . 1 . . . . 49 T CB  . 16873 5 
      257 . 1 1 49 49 THR CG2 C 13  21.619 0.010 . 1 . . . . 49 T CG2 . 16873 5 
      258 . 1 1 49 49 THR N   N 15 104.029 0.099 . 1 . . . . 49 T N   . 16873 5 
      259 . 1 1 50 50 LYS C   C 13 175.484 0.090 . 1 . . . . 50 K C   . 16873 5 
      260 . 1 1 50 50 LYS CA  C 13  55.536 0.051 . 1 . . . . 50 K CA  . 16873 5 
      261 . 1 1 50 50 LYS CB  C 13  28.121 0.094 . 1 . . . . 50 K CB  . 16873 5 
      262 . 1 1 50 50 LYS CE  C 13  43.291 0.038 . 1 . . . . 50 K CE  . 16873 5 
      263 . 1 1 50 50 LYS CG  C 13  24.360 0.043 . 1 . . . . 50 K CG  . 16873 5 
      264 . 1 1 50 50 LYS N   N 15 119.870 0.035 . 1 . . . . 50 K N   . 16873 5 
      265 . 1 1 50 50 LYS NZ  N 15  34.12  0.035 . 1 . . . . 50 K NZ* . 16873 5 
      266 . 1 1 51 51 THR C   C 13 174.479 0.032 . 1 . . . . 51 T C   . 16873 5 
      267 . 1 1 51 51 THR CA  C 13  62.508 0.055 . 1 . . . . 51 T CA  . 16873 5 
      268 . 1 1 51 51 THR CB  C 13  71.648 0.033 . 1 . . . . 51 T CB  . 16873 5 
      269 . 1 1 51 51 THR CG2 C 13  21.381 0.089 . 1 . . . . 51 T CG2 . 16873 5 
      270 . 1 1 51 51 THR N   N 15 111.947 0.044 . 1 . . . . 51 T N   . 16873 5 
      271 . 1 1 52 52 PHE C   C 13 175.700 0.082 . 1 . . . . 52 F C   . 16873 5 
      272 . 1 1 52 52 PHE CA  C 13  56.573 0.043 . 1 . . . . 52 F CA  . 16873 5 
      273 . 1 1 52 52 PHE CB  C 13  42.714 0.067 . 1 . . . . 52 F CB  . 16873 5 
      274 . 1 1 52 52 PHE N   N 15 130.299 0.047 . 1 . . . . 52 F N   . 16873 5 
      275 . 1 1 53 53 THR C   C 13 172.268 0.084 . 1 . . . . 53 T C   . 16873 5 
      276 . 1 1 53 53 THR CA  C 13  60.221 0.082 . 1 . . . . 53 T CA  . 16873 5 
      277 . 1 1 53 53 THR CB  C 13  71.900 0.214 . 1 . . . . 53 T CB  . 16873 5 
      278 . 1 1 53 53 THR CG2 C 13  21.118 0.055 . 1 . . . . 53 T CG2 . 16873 5 
      279 . 1 1 53 53 THR N   N 15 112.055 0.055 . 1 . . . . 53 T N   . 16873 5 
      280 . 1 1 54 54 VAL C   C 13 172.716 0.127 . 1 . . . . 54 V C   . 16873 5 
      281 . 1 1 54 54 VAL CA  C 13  58.437 0.076 . 1 . . . . 54 V CA  . 16873 5 
      282 . 1 1 54 54 VAL CB  C 13  32.718 0.070 . 1 . . . . 54 V CB  . 16873 5 
      283 . 1 1 54 54 VAL CG1 C 13  21.834 0.001 . 2 . . . . 54 V CG1 . 16873 5 
      284 . 1 1 54 54 VAL CG2 C 13  19.716 0.018 . 2 . . . . 54 V CG2 . 16873 5 
      285 . 1 1 54 54 VAL N   N 15 118.355 0.068 . 1 . . . . 54 V N   . 16873 5 
      286 . 1 1 55 55 THR C   C 13 174.331 0.049 . 1 . . . . 55 T C   . 16873 5 
      287 . 1 1 55 55 THR CA  C 13  61.253 0.114 . 1 . . . . 55 T CA  . 16873 5 
      288 . 1 1 55 55 THR CB  C 13  71.987 0.087 . 1 . . . . 55 T CB  . 16873 5 
      289 . 1 1 55 55 THR CG2 C 13  21.480 0.050 . 1 . . . . 55 T CG2 . 16873 5 
      290 . 1 1 55 55 THR N   N 15 123.998 0.045 . 1 . . . . 55 T N   . 16873 5 
      291 . 1 1 56 56 GLU C   C 13 180.478 0.138 . 1 . . . . 56 E C   . 16873 5 
      292 . 1 1 56 56 GLU CA  C 13  57.576 0.079 . 1 . . . . 56 E CA  . 16873 5 
      293 . 1 1 56 56 GLU CB  C 13  33.215 0.017 . 1 . . . . 56 E CB  . 16873 5 
      294 . 1 1 56 56 GLU CD  C 13 183.197 0.024 . 1 . . . . 56 E CD  . 16873 5 
      295 . 1 1 56 56 GLU CG  C 13  38.688 0.054 . 1 . . . . 56 E CG  . 16873 5 
      296 . 1 1 56 56 GLU N   N 15 131.198 0.098 . 1 . . . . 56 E N   . 16873 5 

   stop_

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