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                      17810
   _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                      
;
For details of chemical shift assignment, please see: 
 
W. Trent Franks, Donghua H. Zhou, Benjamin J. Wylie, Brian G. Money, Daniel T. Graesser, Heather L. Frericks, Gurmukh Sahota, and Chad M. Rienstra; J. Am. Chem. Soc. 2005, 127, 12291-12305.
;
   _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 '3D-NCA-{13C CST}' . . . 17810 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 MET C   C 13 171.36  0.09 . 1 . . . A  1 MET C   . 17810 1 
        2 . 1 1  1  1 MET CA  C 13  54.33  0.08 . 1 . . . A  1 MET CA  . 17810 1 
        3 . 1 1  1  1 MET CB  C 13  32.50  0.03 . 1 . . . A  1 MET CB  . 17810 1 
        4 . 1 1  1  1 MET CG  C 13  30.25  0.07 . 1 . . . A  1 MET CG  . 17810 1 
        5 . 1 1  1  1 MET CE  C 13  15.87  0.02 . 1 . . . A  1 MET CE  . 17810 1 
        6 . 1 1  1  1 MET N   N 15  39.95  0.03 . 1 . . . A  1 MET N   . 17810 1 
        7 . 1 1  2  2 GLN C   C 13 175.08  0.10 . 1 . . . A  2 GLN C   . 17810 1 
        8 . 1 1  2  2 GLN CA  C 13  55.88  0.05 . 1 . . . A  2 GLN CA  . 17810 1 
        9 . 1 1  2  2 GLN CB  C 13  30.45  0.05 . 1 . . . A  2 GLN CB  . 17810 1 
       10 . 1 1  2  2 GLN CG  C 13  35.34  0.06 . 1 . . . A  2 GLN CG  . 17810 1 
       11 . 1 1  2  2 GLN CD  C 13 180.44  0.07 . 1 . . . A  2 GLN CD  . 17810 1 
       12 . 1 1  2  2 GLN N   N 15 125.24  0.07 . 1 . . . A  2 GLN N   . 17810 1 
       13 . 1 1  2  2 GLN NE2 N 15 113.22  0.03 . 1 . . . A  2 GLN NE2 . 17810 1 
       14 . 1 1  3  3 TYR C   C 13 174.98  0.08 . 1 . . . A  3 TYR C   . 17810 1 
       15 . 1 1  3  3 TYR CA  C 13  57.01  0.04 . 1 . . . A  3 TYR CA  . 17810 1 
       16 . 1 1  3  3 TYR CB  C 13  43.67  0.10 . 1 . . . A  3 TYR CB  . 17810 1 
       17 . 1 1  3  3 TYR CG  C 13 128.52  0.16 . 1 . . . A  3 TYR CG  . 17810 1 
       18 . 1 1  3  3 TYR CD1 C 13 131.97  0.11 . 3 . . . A  3 TYR CD1 . 17810 1 
       19 . 1 1  3  3 TYR CD2 C 13 134.72  0.11 . 3 . . . A  3 TYR CD2 . 17810 1 
       20 . 1 1  3  3 TYR CE1 C 13 118.34  0.07 . 3 . . . A  3 TYR CE1 . 17810 1 
       21 . 1 1  3  3 TYR CE2 C 13 118.34  0.07 . 3 . . . A  3 TYR CE2 . 17810 1 
       22 . 1 1  3  3 TYR CZ  C 13 158.33  0.19 . 1 . . . A  3 TYR CZ  . 17810 1 
       23 . 1 1  3  3 TYR N   N 15 123.34  0.08 . 1 . . . A  3 TYR N   . 17810 1 
       24 . 1 1  4  4 LYS C   C 13 173.31  0.09 . 1 . . . A  4 LYS C   . 17810 1 
       25 . 1 1  4  4 LYS CA  C 13  54.88  0.08 . 1 . . . A  4 LYS CA  . 17810 1 
       26 . 1 1  4  4 LYS CB  C 13  36.25  0.09 . 1 . . . A  4 LYS CB  . 17810 1 
       27 . 1 1  4  4 LYS CG  C 13  25.65  0.08 . 1 . . . A  4 LYS CG  . 17810 1 
       28 . 1 1  4  4 LYS CD  C 13  29.08  0.06 . 1 . . . A  4 LYS CD  . 17810 1 
       29 . 1 1  4  4 LYS CE  C 13  42.37  0.04 . 1 . . . A  4 LYS CE  . 17810 1 
       30 . 1 1  4  4 LYS N   N 15 122.67  0.06 . 1 . . . A  4 LYS N   . 17810 1 
       31 . 1 1  4  4 LYS NZ  N 15  33.14  0.10 . 1 . . . A  4 LYS NZ  . 17810 1 
       32 . 1 1  5  5 LEU C   C 13 174.80  0.07 . 1 . . . A  5 LEU C   . 17810 1 
       33 . 1 1  5  5 LEU CA  C 13  52.97  0.05 . 1 . . . A  5 LEU CA  . 17810 1 
       34 . 1 1  5  5 LEU CB  C 13  42.54  0.08 . 1 . . . A  5 LEU CB  . 17810 1 
       35 . 1 1  5  5 LEU CG  C 13  27.44  0.05 . 1 . . . A  5 LEU CG  . 17810 1 
       36 . 1 1  5  5 LEU CD1 C 13  25.95  0.08 . 2 . . . A  5 LEU CD1 . 17810 1 
       37 . 1 1  5  5 LEU CD2 C 13  25.05  0.05 . 2 . . . A  5 LEU CD2 . 17810 1 
       38 . 1 1  5  5 LEU N   N 15 126.98  0.05 . 1 . . . A  5 LEU N   . 17810 1 
       39 . 1 1  6  6 ILE C   C 13 175.31  0.08 . 1 . . . A  6 ILE C   . 17810 1 
       40 . 1 1  6  6 ILE CA  C 13  59.97  0.07 . 1 . . . A  6 ILE CA  . 17810 1 
       41 . 1 1  6  6 ILE CB  C 13  37.85  0.07 . 1 . . . A  6 ILE CB  . 17810 1 
       42 . 1 1  6  6 ILE CG1 C 13  27.47  0.07 . 1 . . . A  6 ILE CG1 . 17810 1 
       43 . 1 1  6  6 ILE CG2 C 13  17.59  0.05 . 1 . . . A  6 ILE CG2 . 17810 1 
       44 . 1 1  6  6 ILE CD1 C 13  12.77  0.04 . 1 . . . A  6 ILE CD1 . 17810 1 
       45 . 1 1  6  6 ILE N   N 15 126.26  0.07 . 1 . . . A  6 ILE N   . 17810 1 
       46 . 1 1  7  7 LEU C   C 13 175.12  0.04 . 1 . . . A  7 LEU C   . 17810 1 
       47 . 1 1  7  7 LEU CA  C 13  54.66  0.10 . 1 . . . A  7 LEU CA  . 17810 1 
       48 . 1 1  7  7 LEU CB  C 13  42.90  0.07 . 1 . . . A  7 LEU CB  . 17810 1 
       49 . 1 1  7  7 LEU CG  C 13  27.18  0.09 . 1 . . . A  7 LEU CG  . 17810 1 
       50 . 1 1  7  7 LEU CD1 C 13  26.94  0.09 . 2 . . . A  7 LEU CD1 . 17810 1 
       51 . 1 1  7  7 LEU CD2 C 13  25.11  0.03 . 2 . . . A  7 LEU CD2 . 17810 1 
       52 . 1 1  7  7 LEU N   N 15 127.08  0.05 . 1 . . . A  7 LEU N   . 17810 1 
       53 . 1 1  8  8 ASN C   C 13 176.43  0.05 . 1 . . . A  8 ASN C   . 17810 1 
       54 . 1 1  8  8 ASN CA  C 13  50.72  0.07 . 1 . . . A  8 ASN CA  . 17810 1 
       55 . 1 1  8  8 ASN CB  C 13  38.37  0.10 . 1 . . . A  8 ASN CB  . 17810 1 
       56 . 1 1  8  8 ASN CG  C 13 176.55  0.04 . 1 . . . A  8 ASN CG  . 17810 1 
       57 . 1 1  8  8 ASN N   N 15 125.11  0.07 . 1 . . . A  8 ASN N   . 17810 1 
       58 . 1 1  8  8 ASN ND2 N 15 110.85  0.08 . 1 . . . A  8 ASN ND2 . 17810 1 
       59 . 1 1  9  9 GLY C   C 13 173.22  0.08 . 1 . . . A  9 GLY C   . 17810 1 
       60 . 1 1  9  9 GLY CA  C 13  44.58  0.05 . 1 . . . A  9 GLY CA  . 17810 1 
       61 . 1 1  9  9 GLY N   N 15 109.62  0.03 . 1 . . . A  9 GLY N   . 17810 1 
       62 . 1 1 10 10 LYS C   C 13 179.17  0.07 . 1 . . . A 10 LYS C   . 17810 1 
       63 . 1 1 10 10 LYS CA  C 13  59.27  0.05 . 1 . . . A 10 LYS CA  . 17810 1 
       64 . 1 1 10 10 LYS CB  C 13  32.85  0.07 . 1 . . . A 10 LYS CB  . 17810 1 
       65 . 1 1 10 10 LYS CG  C 13  25.83  0.06 . 1 . . . A 10 LYS CG  . 17810 1 
       66 . 1 1 10 10 LYS CD  C 13  29.15  0.09 . 1 . . . A 10 LYS CD  . 17810 1 
       67 . 1 1 10 10 LYS CE  C 13  42.07  0.07 . 1 . . . A 10 LYS CE  . 17810 1 
       68 . 1 1 10 10 LYS N   N 15 121.07  0.08 . 1 . . . A 10 LYS N   . 17810 1 
       69 . 1 1 10 10 LYS NZ  N 15  33.13  0.06 . 1 . . . A 10 LYS NZ  . 17810 1 
       70 . 1 1 11 11 THR C   C 13 173.42  0.09 . 1 . . . A 11 THR C   . 17810 1 
       71 . 1 1 11 11 THR CA  C 13  61.91  0.05 . 1 . . . A 11 THR CA  . 17810 1 
       72 . 1 1 11 11 THR CB  C 13  69.49  0.05 . 1 . . . A 11 THR CB  . 17810 1 
       73 . 1 1 11 11 THR CG2 C 13  22.63  0.07 . 1 . . . A 11 THR CG2 . 17810 1 
       74 . 1 1 11 11 THR N   N 15 106.40  0.05 . 1 . . . A 11 THR N   . 17810 1 
       75 . 1 1 12 12 LEU C   C 13 173.85  0.07 . 1 . . . A 12 LEU C   . 17810 1 
       76 . 1 1 12 12 LEU CA  C 13  54.43  0.07 . 1 . . . A 12 LEU CA  . 17810 1 
       77 . 1 1 12 12 LEU CB  C 13  43.07  0.07 . 1 . . . A 12 LEU CB  . 17810 1 
       78 . 1 1 12 12 LEU CG  C 13  27.93  0.08 . 1 . . . A 12 LEU CG  . 17810 1 
       79 . 1 1 12 12 LEU CD1 C 13  26.09  0.07 . 2 . . . A 12 LEU CD1 . 17810 1 
       80 . 1 1 12 12 LEU CD2 C 13  23.01  0.05 . 2 . . . A 12 LEU CD2 . 17810 1 
       81 . 1 1 12 12 LEU N   N 15 127.76  0.06 . 1 . . . A 12 LEU N   . 17810 1 
       82 . 1 1 13 13 LYS C   C 13 175.83  0.06 . 1 . . . A 13 LYS C   . 17810 1 
       83 . 1 1 13 13 LYS CA  C 13  53.34  0.06 . 1 . . . A 13 LYS CA  . 17810 1 
       84 . 1 1 13 13 LYS CB  C 13  38.83  0.09 . 1 . . . A 13 LYS CB  . 17810 1 
       85 . 1 1 13 13 LYS CG  C 13  26.12  0.08 . 1 . . . A 13 LYS CG  . 17810 1 
       86 . 1 1 13 13 LYS CD  C 13  29.76  0.02 . 1 . . . A 13 LYS CD  . 17810 1 
       87 . 1 1 13 13 LYS CE  C 13  43.00  0.10 . 1 . . . A 13 LYS CE  . 17810 1 
       88 . 1 1 13 13 LYS N   N 15 123.25  0.06 . 1 . . . A 13 LYS N   . 17810 1 
       89 . 1 1 13 13 LYS NZ  N 15  31.33  0.10 . 1 . . . A 13 LYS NZ  . 17810 1 
       90 . 1 1 14 14 GLY C   C 13 171.37  0.10 . 1 . . . A 14 GLY C   . 17810 1 
       91 . 1 1 14 14 GLY CA  C 13  44.89  0.08 . 1 . . . A 14 GLY CA  . 17810 1 
       92 . 1 1 14 14 GLY N   N 15 105.61  0.07 . 1 . . . A 14 GLY N   . 17810 1 
       93 . 1 1 15 15 GLU C   C 13 174.11  0.09 . 1 . . . A 15 GLU C   . 17810 1 
       94 . 1 1 15 15 GLU CA  C 13  53.89  0.06 . 1 . . . A 15 GLU CA  . 17810 1 
       95 . 1 1 15 15 GLU CB  C 13  34.16  0.08 . 1 . . . A 15 GLU CB  . 17810 1 
       96 . 1 1 15 15 GLU CG  C 13  35.14  0.10 . 1 . . . A 15 GLU CG  . 17810 1 
       97 . 1 1 15 15 GLU CD  C 13 181.88  0.10 . 1 . . . A 15 GLU CD  . 17810 1 
       98 . 1 1 15 15 GLU N   N 15 121.07  0.05 . 1 . . . A 15 GLU N   . 17810 1 
       99 . 1 1 16 16 THR C   C 13 172.04  0.09 . 1 . . . A 16 THR C   . 17810 1 
      100 . 1 1 16 16 THR CA  C 13  60.12  0.06 . 1 . . . A 16 THR CA  . 17810 1 
      101 . 1 1 16 16 THR CB  C 13  70.51  0.06 . 1 . . . A 16 THR CB  . 17810 1 
      102 . 1 1 16 16 THR CG2 C 13  20.07  0.08 . 1 . . . A 16 THR CG2 . 17810 1 
      103 . 1 1 16 16 THR N   N 15 115.18  0.08 . 1 . . . A 16 THR N   . 17810 1 
      104 . 1 1 17 17 THR C   C 13 174.25  0.07 . 1 . . . A 17 THR C   . 17810 1 
      105 . 1 1 17 17 THR CA  C 13  60.32  0.10 . 1 . . . A 17 THR CA  . 17810 1 
      106 . 1 1 17 17 THR CB  C 13  72.64  0.07 . 1 . . . A 17 THR CB  . 17810 1 
      107 . 1 1 17 17 THR CG2 C 13  21.79  0.10 . 1 . . . A 17 THR CG2 . 17810 1 
      108 . 1 1 17 17 THR N   N 15 116.05  0.07 . 1 . . . A 17 THR N   . 17810 1 
      109 . 1 1 18 18 THR C   C 13 171.27  0.06 . 1 . . . A 18 THR C   . 17810 1 
      110 . 1 1 18 18 THR CA  C 13  61.31  0.08 . 1 . . . A 18 THR CA  . 17810 1 
      111 . 1 1 18 18 THR CB  C 13  70.84  0.04 . 1 . . . A 18 THR CB  . 17810 1 
      112 . 1 1 18 18 THR CG2 C 13  18.91  0.08 . 1 . . . A 18 THR CG2 . 17810 1 
      113 . 1 1 18 18 THR N   N 15 116.26  0.08 . 1 . . . A 18 THR N   . 17810 1 
      114 . 1 1 19 19 GLU C   C 13 175.90  0.08 . 1 . . . A 19 GLU C   . 17810 1 
      115 . 1 1 19 19 GLU CA  C 13  54.33  0.08 . 1 . . . A 19 GLU CA  . 17810 1 
      116 . 1 1 19 19 GLU CB  C 13  30.56  0.10 . 1 . . . A 19 GLU CB  . 17810 1 
      117 . 1 1 19 19 GLU CG  C 13  35.75  0.06 . 1 . . . A 19 GLU CG  . 17810 1 
      118 . 1 1 19 19 GLU CD  C 13 182.18  0.08 . 1 . . . A 19 GLU CD  . 17810 1 
      119 . 1 1 19 19 GLU N   N 15 125.35  0.10 . 1 . . . A 19 GLU N   . 17810 1 
      120 . 1 1 20 20 ALA C   C 13 177.79  0.09 . 1 . . . A 20 ALA C   . 17810 1 
      121 . 1 1 20 20 ALA CA  C 13  50.69  0.04 . 1 . . . A 20 ALA CA  . 17810 1 
      122 . 1 1 20 20 ALA CB  C 13  23.67  0.04 . 1 . . . A 20 ALA CB  . 17810 1 
      123 . 1 1 20 20 ALA N   N 15 125.88  0.04 . 1 . . . A 20 ALA N   . 17810 1 
      124 . 1 1 21 21 VAL C   C 13 175.10  0.10 . 1 . . . A 21 VAL C   . 17810 1 
      125 . 1 1 21 21 VAL CA  C 13  63.47  0.10 . 1 . . . A 21 VAL CA  . 17810 1 
      126 . 1 1 21 21 VAL CB  C 13  31.96  0.10 . 1 . . . A 21 VAL CB  . 17810 1 
      127 . 1 1 21 21 VAL CG1 C 13  20.20  0.10 . 2 . . . A 21 VAL CG1 . 17810 1 
      128 . 1 1 21 21 VAL CG2 C 13  21.22  0.10 . 2 . . . A 21 VAL CG2 . 17810 1 
      129 . 1 1 21 21 VAL N   N 15 116.28  0.09 . 1 . . . A 21 VAL N   . 17810 1 
      130 . 1 1 22 22 ASP C   C 13 175.08  0.09 . 1 . . . A 22 ASP C   . 17810 1 
      131 . 1 1 22 22 ASP CA  C 13  52.53  0.07 . 1 . . . A 22 ASP CA  . 17810 1 
      132 . 1 1 22 22 ASP CB  C 13  42.30  0.09 . 1 . . . A 22 ASP CB  . 17810 1 
      133 . 1 1 22 22 ASP CG  C 13 179.88  0.04 . 1 . . . A 22 ASP CG  . 17810 1 
      134 . 1 1 22 22 ASP N   N 15 115.52  0.07 . 1 . . . A 22 ASP N   . 17810 1 
      135 . 1 1 23 23 ALA C   C 13 179.73  0.04 . 1 . . . A 23 ALA C   . 17810 1 
      136 . 1 1 23 23 ALA CA  C 13  54.55  0.07 . 1 . . . A 23 ALA CA  . 17810 1 
      137 . 1 1 23 23 ALA CB  C 13  18.20  0.04 . 1 . . . A 23 ALA CB  . 17810 1 
      138 . 1 1 23 23 ALA N   N 15 122.82  0.05 . 1 . . . A 23 ALA N   . 17810 1 
      139 . 1 1 24 24 ALA C   C 13 181.53  0.09 . 1 . . . A 24 ALA C   . 17810 1 
      140 . 1 1 24 24 ALA CA  C 13  54.54  0.07 . 1 . . . A 24 ALA CA  . 17810 1 
      141 . 1 1 24 24 ALA CB  C 13  18.20  0.07 . 1 . . . A 24 ALA CB  . 17810 1 
      142 . 1 1 24 24 ALA N   N 15 120.75  0.04 . 1 . . . A 24 ALA N   . 17810 1 
      143 . 1 1 25 25 THR C   C 13 175.92  0.06 . 1 . . . A 25 THR C   . 17810 1 
      144 . 1 1 25 25 THR CA  C 13  67.23  0.12 . 1 . . . A 25 THR CA  . 17810 1 
      145 . 1 1 25 25 THR CB  C 13  67.82  0.11 . 1 . . . A 25 THR CB  . 17810 1 
      146 . 1 1 25 25 THR CG2 C 13  21.38  0.08 . 1 . . . A 25 THR CG2 . 17810 1 
      147 . 1 1 25 25 THR N   N 15 117.37  0.07 . 1 . . . A 25 THR N   . 17810 1 
      148 . 1 1 26 26 ALA C   C 13 177.28  0.07 . 1 . . . A 26 ALA C   . 17810 1 
      149 . 1 1 26 26 ALA CA  C 13  55.02  0.09 . 1 . . . A 26 ALA CA  . 17810 1 
      150 . 1 1 26 26 ALA CB  C 13  17.55  0.09 . 1 . . . A 26 ALA CB  . 17810 1 
      151 . 1 1 26 26 ALA N   N 15 123.99  0.08 . 1 . . . A 26 ALA N   . 17810 1 
      152 . 1 1 27 27 GLU C   C 13 177.82  0.07 . 1 . . . A 27 GLU C   . 17810 1 
      153 . 1 1 27 27 GLU CA  C 13  59.09  0.05 . 1 . . . A 27 GLU CA  . 17810 1 
      154 . 1 1 27 27 GLU CB  C 13  29.06  0.08 . 1 . . . A 27 GLU CB  . 17810 1 
      155 . 1 1 27 27 GLU CG  C 13  35.54  0.07 . 1 . . . A 27 GLU CG  . 17810 1 
      156 . 1 1 27 27 GLU CD  C 13 181.73  0.08 . 1 . . . A 27 GLU CD  . 17810 1 
      157 . 1 1 27 27 GLU N   N 15 116.35  0.04 . 1 . . . A 27 GLU N   . 17810 1 
      158 . 1 1 28 28 LYS C   C 13 179.24  0.04 . 1 . . . A 28 LYS C   . 17810 1 
      159 . 1 1 28 28 LYS CA  C 13  60.19  0.05 . 1 . . . A 28 LYS CA  . 17810 1 
      160 . 1 1 28 28 LYS CB  C 13  32.79  0.05 . 1 . . . A 28 LYS CB  . 17810 1 
      161 . 1 1 28 28 LYS CG  C 13  26.47  0.08 . 1 . . . A 28 LYS CG  . 17810 1 
      162 . 1 1 28 28 LYS CD  C 13  30.07  0.07 . 1 . . . A 28 LYS CD  . 17810 1 
      163 . 1 1 28 28 LYS CE  C 13  42.282 0.03 . 1 . . . A 28 LYS CE  . 17810 1 
      164 . 1 1 28 28 LYS N   N 15 117.38  0.06 . 1 . . . A 28 LYS N   . 17810 1 
      165 . 1 1 28 28 LYS NZ  N 15  32.57  0.10 . 1 . . . A 28 LYS NZ  . 17810 1 
      166 . 1 1 29 29 VAL C   C 13 178.98  0.09 . 1 . . . A 29 VAL C   . 17810 1 
      167 . 1 1 29 29 VAL CA  C 13  66.31  0.08 . 1 . . . A 29 VAL CA  . 17810 1 
      168 . 1 1 29 29 VAL CB  C 13  31.92  0.07 . 1 . . . A 29 VAL CB  . 17810 1 
      169 . 1 1 29 29 VAL CG1 C 13  22.19  0.06 . 2 . . . A 29 VAL CG1 . 17810 1 
      170 . 1 1 29 29 VAL CG2 C 13  20.99  0.04 . 2 . . . A 29 VAL CG2 . 17810 1 
      171 . 1 1 29 29 VAL N   N 15 119.34  0.05 . 1 . . . A 29 VAL N   . 17810 1 
      172 . 1 1 30 30 PHE C   C 13 179.09  0.20 . 1 . . . A 30 PHE C   . 17810 1 
      173 . 1 1 30 30 PHE CA  C 13  57.54  0.06 . 1 . . . A 30 PHE CA  . 17810 1 
      174 . 1 1 30 30 PHE CB  C 13  37.49  0.07 . 1 . . . A 30 PHE CB  . 17810 1 
      175 . 1 1 30 30 PHE CG  C 13 138.38  0.20 . 1 . . . A 30 PHE CG  . 17810 1 
      176 . 1 1 30 30 PHE CD1 C 13 132.33  0.23 . 3 . . . A 30 PHE CD1 . 17810 1 
      177 . 1 1 30 30 PHE CD2 C 13 132.33  0.23 . 3 . . . A 30 PHE CD2 . 17810 1 
      178 . 1 1 30 30 PHE CE1 C 13 130.90  0.35 . 3 . . . A 30 PHE CE1 . 17810 1 
      179 . 1 1 30 30 PHE CE2 C 13 130.90  0.35 . 3 . . . A 30 PHE CE2 . 17810 1 
      180 . 1 1 30 30 PHE CZ  C 13 130.90  0.35 . 1 . . . A 30 PHE CZ  . 17810 1 
      181 . 1 1 30 30 PHE N   N 15 118.68  0.07 . 1 . . . A 30 PHE N   . 17810 1 
      182 . 1 1 31 31 LYS C   C 13 179.57  0.09 . 1 . . . A 31 LYS C   . 17810 1 
      183 . 1 1 31 31 LYS CA  C 13  60.11  0.07 . 1 . . . A 31 LYS CA  . 17810 1 
      184 . 1 1 31 31 LYS CB  C 13  31.61  0.08 . 1 . . . A 31 LYS CB  . 17810 1 
      185 . 1 1 31 31 LYS CG  C 13  27.25  0.08 . 1 . . . A 31 LYS CG  . 17810 1 
      186 . 1 1 31 31 LYS CD  C 13  29.30  0.06 . 1 . . . A 31 LYS CD  . 17810 1 
      187 . 1 1 31 31 LYS CE  C 13  41.24  0.10 . 1 . . . A 31 LYS CE  . 17810 1 
      188 . 1 1 31 31 LYS N   N 15 120.76  0.05 . 1 . . . A 31 LYS N   . 17810 1 
      189 . 1 1 31 31 LYS NZ  N 15  32.20  0.08 . 1 . . . A 31 LYS NZ  . 17810 1 
      190 . 1 1 32 32 GLN C   C 13 177.58  0.08 . 1 . . . A 32 GLN C   . 17810 1 
      191 . 1 1 32 32 GLN CA  C 13  58.92  0.06 . 1 . . . A 32 GLN CA  . 17810 1 
      192 . 1 1 32 32 GLN CB  C 13  28.97  0.06 . 1 . . . A 32 GLN CB  . 17810 1 
      193 . 1 1 32 32 GLN CG  C 13  34.18  0.09 . 1 . . . A 32 GLN CG  . 17810 1 
      194 . 1 1 32 32 GLN CD  C 13 180.04  0.05 . 1 . . . A 32 GLN CD  . 17810 1 
      195 . 1 1 32 32 GLN N   N 15 121.29  0.03 . 1 . . . A 32 GLN N   . 17810 1 
      196 . 1 1 32 32 GLN NE2 N 15 115.61  0.06 . 1 . . . A 32 GLN NE2 . 17810 1 
      197 . 1 1 33 33 TYR C   C 13 178.82  0.07 . 1 . . . A 33 TYR C   . 17810 1 
      198 . 1 1 33 33 TYR CA  C 13  61.59  0.04 . 1 . . . A 33 TYR CA  . 17810 1 
      199 . 1 1 33 33 TYR CB  C 13  36.98  0.19 . 1 . . . A 33 TYR CB  . 17810 1 
      200 . 1 1 33 33 TYR CG  C 13 129.82  0.13 . 1 . . . A 33 TYR CG  . 17810 1 
      201 . 1 1 33 33 TYR CD1 C 13 132.53  0.10 . 3 . . . A 33 TYR CD1 . 17810 1 
      202 . 1 1 33 33 TYR CD2 C 13 132.53  0.10 . 3 . . . A 33 TYR CD2 . 17810 1 
      203 . 1 1 33 33 TYR CE1 C 13 118.69  0.19 . 3 . . . A 33 TYR CE1 . 17810 1 
      204 . 1 1 33 33 TYR CE2 C 13 118.69  0.19 . 3 . . . A 33 TYR CE2 . 17810 1 
      205 . 1 1 33 33 TYR CZ  C 13 159.36  0.09 . 1 . . . A 33 TYR CZ  . 17810 1 
      206 . 1 1 33 33 TYR N   N 15 120.99  0.04 . 1 . . . A 33 TYR N   . 17810 1 
      207 . 1 1 34 34 ALA C   C 13 179.62  0.08 . 1 . . . A 34 ALA C   . 17810 1 
      208 . 1 1 34 34 ALA CA  C 13  56.07  0.05 . 1 . . . A 34 ALA CA  . 17810 1 
      209 . 1 1 34 34 ALA CB  C 13  18.10  0.05 . 1 . . . A 34 ALA CB  . 17810 1 
      210 . 1 1 34 34 ALA N   N 15 122.68  0.04 . 1 . . . A 34 ALA N   . 17810 1 
      211 . 1 1 35 35 ASN C   C 13 179.56  0.10 . 1 . . . A 35 ASN C   . 17810 1 
      212 . 1 1 35 35 ASN CA  C 13  57.04  0.09 . 1 . . . A 35 ASN CA  . 17810 1 
      213 . 1 1 35 35 ASN CB  C 13  39.25  0.09 . 1 . . . A 35 ASN CB  . 17810 1 
      214 . 1 1 35 35 ASN CG  C 13 176.11  0.07 . 1 . . . A 35 ASN CG  . 17810 1 
      215 . 1 1 35 35 ASN N   N 15 118.20  0.06 . 1 . . . A 35 ASN N   . 17810 1 
      216 . 1 1 35 35 ASN ND2 N 15 113.20  0.08 . 1 . . . A 35 ASN ND2 . 17810 1 
      217 . 1 1 36 36 ASP C   C 13 176.18  0.04 . 1 . . . A 36 ASP C   . 17810 1 
      218 . 1 1 36 36 ASP CA  C 13  55.91  0.06 . 1 . . . A 36 ASP CA  . 17810 1 
      219 . 1 1 36 36 ASP CB  C 13  38.31  0.06 . 1 . . . A 36 ASP CB  . 17810 1 
      220 . 1 1 36 36 ASP CG  C 13 177.80  0.10 . 1 . . . A 36 ASP CG  . 17810 1 
      221 . 1 1 36 36 ASP N   N 15 121.08  0.05 . 1 . . . A 36 ASP N   . 17810 1 
      222 . 1 1 37 37 ASN C   C 13 174.28  0.08 . 1 . . . A 37 ASN C   . 17810 1 
      223 . 1 1 37 37 ASN CA  C 13  53.51  0.05 . 1 . . . A 37 ASN CA  . 17810 1 
      224 . 1 1 37 37 ASN CB  C 13  40.35  0.08 . 1 . . . A 37 ASN CB  . 17810 1 
      225 . 1 1 37 37 ASN CG  C 13 176.88  0.08 . 1 . . . A 37 ASN CG  . 17810 1 
      226 . 1 1 37 37 ASN N   N 15 115.04  0.07 . 1 . . . A 37 ASN N   . 17810 1 
      227 . 1 1 37 37 ASN ND2 N 15 114.59  0.08 . 1 . . . A 37 ASN ND2 . 17810 1 
      228 . 1 1 38 38 GLY C   C 13 174.03  0.08 . 1 . . . A 38 GLY C   . 17810 1 
      229 . 1 1 38 38 GLY CA  C 13  46.80  0.07 . 1 . . . A 38 GLY CA  . 17810 1 
      230 . 1 1 38 38 GLY N   N 15 108.35  0.05 . 1 . . . A 38 GLY N   . 17810 1 
      231 . 1 1 39 39 VAL C   C 13 175.20  0.10 . 1 . . . A 39 VAL C   . 17810 1 
      232 . 1 1 39 39 VAL CA  C 13  61.72  0.07 . 1 . . . A 39 VAL CA  . 17810 1 
      233 . 1 1 39 39 VAL CB  C 13  31.94  0.07 . 1 . . . A 39 VAL CB  . 17810 1 
      234 . 1 1 39 39 VAL CG1 C 13  21.94  0.04 . 1 . . . A 39 VAL CG1 . 17810 1 
      235 . 1 1 39 39 VAL CG2 C 13  18.20  0.04 . 1 . . . A 39 VAL CG2 . 17810 1 
      236 . 1 1 39 39 VAL N   N 15 121.79  0.05 . 1 . . . A 39 VAL N   . 17810 1 
      237 . 1 1 40 40 ASP C   C 13 174.89  0.08 . 1 . . . A 40 ASP C   . 17810 1 
      238 . 1 1 40 40 ASP CA  C 13  52.77  0.05 . 1 . . . A 40 ASP CA  . 17810 1 
      239 . 1 1 40 40 ASP CB  C 13  41.71  0.06 . 1 . . . A 40 ASP CB  . 17810 1 
      240 . 1 1 40 40 ASP CG  C 13 180.73  0.10 . 1 . . . A 40 ASP CG  . 17810 1 
      241 . 1 1 40 40 ASP N   N 15 131.05  0.04 . 1 . . . A 40 ASP N   . 17810 1 
      242 . 1 1 41 41 GLY C   C 13 172.81  0.08 . 1 . . . A 41 GLY C   . 17810 1 
      243 . 1 1 41 41 GLY CA  C 13  45.10  0.08 . 1 . . . A 41 GLY CA  . 17810 1 
      244 . 1 1 41 41 GLY N   N 15 108.10  0.03 . 1 . . . A 41 GLY N   . 17810 1 
      245 . 1 1 42 42 GLU C   C 13 177.94  0.08 . 1 . . . A 42 GLU C   . 17810 1 
      246 . 1 1 42 42 GLU CA  C 13  55.10  0.09 . 1 . . . A 42 GLU CA  . 17810 1 
      247 . 1 1 42 42 GLU CB  C 13  31.48  0.09 . 1 . . . A 42 GLU CB  . 17810 1 
      248 . 1 1 42 42 GLU CG  C 13  35.68  0.13 . 1 . . . A 42 GLU CG  . 17810 1 
      249 . 1 1 42 42 GLU CD  C 13 181.82  0.07 . 1 . . . A 42 GLU CD  . 17810 1 
      250 . 1 1 42 42 GLU N   N 15 119.02  0.05 . 1 . . . A 42 GLU N   . 17810 1 
      251 . 1 1 43 43 TRP C   C 13 177.42  0.08 . 1 . . . A 43 TRP C   . 17810 1 
      252 . 1 1 43 43 TRP CA  C 13  57.46  0.06 . 1 . . . A 43 TRP CA  . 17810 1 
      253 . 1 1 43 43 TRP CB  C 13  33.81  0.08 . 1 . . . A 43 TRP CB  . 17810 1 
      254 . 1 1 43 43 TRP CG  C 13 111.78  0.07 . 1 . . . A 43 TRP CG  . 17810 1 
      255 . 1 1 43 43 TRP CD1 C 13 127.17  0.08 . 1 . . . A 43 TRP CD1 . 17810 1 
      256 . 1 1 43 43 TRP CD2 C 13 129.71  0.05 . 1 . . . A 43 TRP CD2 . 17810 1 
      257 . 1 1 43 43 TRP CE2 C 13 138.49  0.05 . 1 . . . A 43 TRP CE2 . 17810 1 
      258 . 1 1 43 43 TRP CE3 C 13 119.87  0.09 . 1 . . . A 43 TRP CE3 . 17810 1 
      259 . 1 1 43 43 TRP CZ2 C 13 114.71  0.09 . 1 . . . A 43 TRP CZ2 . 17810 1 
      260 . 1 1 43 43 TRP CZ3 C 13 120.63  0.06 . 1 . . . A 43 TRP CZ3 . 17810 1 
      261 . 1 1 43 43 TRP CH2 C 13 123.17  0.06 . 1 . . . A 43 TRP CH2 . 17810 1 
      262 . 1 1 43 43 TRP N   N 15 124.95  0.06 . 1 . . . A 43 TRP N   . 17810 1 
      263 . 1 1 43 43 TRP NE1 N 15 131.65  0.12 . 1 . . . A 43 TRP NE1 . 17810 1 
      264 . 1 1 44 44 THR C   C 13 174.03  0.06 . 1 . . . A 44 THR C   . 17810 1 
      265 . 1 1 44 44 THR CA  C 13  60.94  0.10 . 1 . . . A 44 THR CA  . 17810 1 
      266 . 1 1 44 44 THR CB  C 13  73.09  0.06 . 1 . . . A 44 THR CB  . 17810 1 
      267 . 1 1 44 44 THR CG2 C 13  21.12  0.10 . 1 . . . A 44 THR CG2 . 17810 1 
      268 . 1 1 44 44 THR N   N 15 109.21  0.08 . 1 . . . A 44 THR N   . 17810 1 
      269 . 1 1 45 45 TYR C   C 13 171.91  0.09 . 1 . . . A 45 TYR C   . 17810 1 
      270 . 1 1 45 45 TYR CA  C 13  57.84  0.06 . 1 . . . A 45 TYR CA  . 17810 1 
      271 . 1 1 45 45 TYR CB  C 13  42.62  0.05 . 1 . . . A 45 TYR CB  . 17810 1 
      272 . 1 1 45 45 TYR CG  C 13 127.79  0.06 . 1 . . . A 45 TYR CG  . 17810 1 
      273 . 1 1 45 45 TYR CD1 C 13 132.51  0.06 . 3 . . . A 45 TYR CD1 . 17810 1 
      274 . 1 1 45 45 TYR CD2 C 13 132.19  0.16 . 3 . . . A 45 TYR CD2 . 17810 1 
      275 . 1 1 45 45 TYR CE1 C 13 118.79  0.08 . 3 . . . A 45 TYR CE1 . 17810 1 
      276 . 1 1 45 45 TYR CE2 C 13 116.22  0.06 . 3 . . . A 45 TYR CE2 . 17810 1 
      277 . 1 1 45 45 TYR CZ  C 13 157.53  0.10 . 1 . . . A 45 TYR CZ  . 17810 1 
      278 . 1 1 45 45 TYR N   N 15 118.61  0.08 . 1 . . . A 45 TYR N   . 17810 1 
      279 . 1 1 46 46 ASP C   C 13 176.30  0.06 . 1 . . . A 46 ASP C   . 17810 1 
      280 . 1 1 46 46 ASP CA  C 13  50.89  0.05 . 1 . . . A 46 ASP CA  . 17810 1 
      281 . 1 1 46 46 ASP CB  C 13  42.60  0.07 . 1 . . . A 46 ASP CB  . 17810 1 
      282 . 1 1 46 46 ASP CG  C 13 180.17  0.08 . 1 . . . A 46 ASP CG  . 17810 1 
      283 . 1 1 46 46 ASP N   N 15 126.34  0.06 . 1 . . . A 46 ASP N   . 17810 1 
      284 . 1 1 47 47 ASP C   C 13 177.51  0.09 . 1 . . . A 47 ASP C   . 17810 1 
      285 . 1 1 47 47 ASP CA  C 13  54.64  0.07 . 1 . . . A 47 ASP CA  . 17810 1 
      286 . 1 1 47 47 ASP CB  C 13  43.00  0.08 . 1 . . . A 47 ASP CB  . 17810 1 
      287 . 1 1 47 47 ASP CG  C 13 179.84  0.07 . 1 . . . A 47 ASP CG  . 17810 1 
      288 . 1 1 47 47 ASP N   N 15 123.39  0.03 . 1 . . . A 47 ASP N   . 17810 1 
      289 . 1 1 48 48 ALA C   C 13 179.70  0.05 . 1 . . . A 48 ALA C   . 17810 1 
      290 . 1 1 48 48 ALA CA  C 13  53.99  0.04 . 1 . . . A 48 ALA CA  . 17810 1 
      291 . 1 1 48 48 ALA CB  C 13  19.00  0.04 . 1 . . . A 48 ALA CB  . 17810 1 
      292 . 1 1 48 48 ALA N   N 15 118.98  0.06 . 1 . . . A 48 ALA N   . 17810 1 
      293 . 1 1 49 49 THR C   C 13 175.84  0.09 . 1 . . . A 49 THR C   . 17810 1 
      294 . 1 1 49 49 THR CA  C 13  60.27  0.08 . 1 . . . A 49 THR CA  . 17810 1 
      295 . 1 1 49 49 THR CB  C 13  69.90  0.06 . 1 . . . A 49 THR CB  . 17810 1 
      296 . 1 1 49 49 THR CG2 C 13  21.57  0.05 . 1 . . . A 49 THR CG2 . 17810 1 
      297 . 1 1 49 49 THR N   N 15 104.23  0.03 . 1 . . . A 49 THR N   . 17810 1 
      298 . 1 1 50 50 LYS C   C 13 175.47  0.10 . 1 . . . A 50 LYS C   . 17810 1 
      299 . 1 1 50 50 LYS CA  C 13  55.59  0.08 . 1 . . . A 50 LYS CA  . 17810 1 
      300 . 1 1 50 50 LYS CB  C 13  28.03  0.08 . 1 . . . A 50 LYS CB  . 17810 1 
      301 . 1 1 50 50 LYS CG  C 13  24.39  0.11 . 1 . . . A 50 LYS CG  . 17810 1 
      302 . 1 1 50 50 LYS CD  C 13  28.29  0.20 . 1 . . . A 50 LYS CD  . 17810 1 
      303 . 1 1 50 50 LYS CE  C 13  43.33  0.09 . 1 . . . A 50 LYS CE  . 17810 1 
      304 . 1 1 50 50 LYS N   N 15 119.71  0.06 . 1 . . . A 50 LYS N   . 17810 1 
      305 . 1 1 50 50 LYS NZ  N 15  33.86  0.03 . 1 . . . A 50 LYS NZ  . 17810 1 
      306 . 1 1 51 51 THR C   C 13 174.44  0.07 . 1 . . . A 51 THR C   . 17810 1 
      307 . 1 1 51 51 THR CA  C 13  62.47  0.08 . 1 . . . A 51 THR CA  . 17810 1 
      308 . 1 1 51 51 THR CB  C 13  71.71  0.08 . 1 . . . A 51 THR CB  . 17810 1 
      309 . 1 1 51 51 THR CG2 C 13  21.29  0.08 . 1 . . . A 51 THR CG2 . 17810 1 
      310 . 1 1 51 51 THR N   N 15 112.00  0.04 . 1 . . . A 51 THR N   . 17810 1 
      311 . 1 1 52 52 PHE C   C 13 175.81  0.10 . 1 . . . A 52 PHE C   . 17810 1 
      312 . 1 1 52 52 PHE CA  C 13  56.58  0.08 . 1 . . . A 52 PHE CA  . 17810 1 
      313 . 1 1 52 52 PHE CB  C 13  43.06  0.17 . 1 . . . A 52 PHE CB  . 17810 1 
      314 . 1 1 52 52 PHE CG  C 13 140.02  0.17 . 1 . . . A 52 PHE CG  . 17810 1 
      315 . 1 1 52 52 PHE CD1 C 13 131.62  0.30 . 3 . . . A 52 PHE CD1 . 17810 1 
      316 . 1 1 52 52 PHE CD2 C 13 131.62  0.30 . 3 . . . A 52 PHE CD2 . 17810 1 
      317 . 1 1 52 52 PHE CE1 C 13 130.46  0.30 . 3 . . . A 52 PHE CE1 . 17810 1 
      318 . 1 1 52 52 PHE CE2 C 13 130.46  0.30 . 3 . . . A 52 PHE CE2 . 17810 1 
      319 . 1 1 52 52 PHE CZ  C 13 130.46  0.30 . 1 . . . A 52 PHE CZ  . 17810 1 
      320 . 1 1 52 52 PHE N   N 15 130.28  0.04 . 1 . . . A 52 PHE N   . 17810 1 
      321 . 1 1 53 53 THR C   C 13 172.25  0.06 . 1 . . . A 53 THR C   . 17810 1 
      322 . 1 1 53 53 THR CA  C 13  60.39  0.07 . 1 . . . A 53 THR CA  . 17810 1 
      323 . 1 1 53 53 THR CB  C 13  71.89  0.10 . 1 . . . A 53 THR CB  . 17810 1 
      324 . 1 1 53 53 THR CG2 C 13  21.10  0.10 . 1 . . . A 53 THR CG2 . 17810 1 
      325 . 1 1 53 53 THR N   N 15 112.21  0.06 . 1 . . . A 53 THR N   . 17810 1 
      326 . 1 1 54 54 VAL C   C 13 172.62  0.04 . 1 . . . A 54 VAL C   . 17810 1 
      327 . 1 1 54 54 VAL CA  C 13  58.48  0.07 . 1 . . . A 54 VAL CA  . 17810 1 
      328 . 1 1 54 54 VAL CB  C 13  32.72  0.08 . 1 . . . A 54 VAL CB  . 17810 1 
      329 . 1 1 54 54 VAL CG1 C 13  21.86  0.10 . 2 . . . A 54 VAL CG1 . 17810 1 
      330 . 1 1 54 54 VAL CG2 C 13  19.75  0.06 . 2 . . . A 54 VAL CG2 . 17810 1 
      331 . 1 1 54 54 VAL N   N 15 118.43  0.09 . 1 . . . A 54 VAL N   . 17810 1 
      332 . 1 1 55 55 THR C   C 13 174.17  0.05 . 1 . . . A 55 THR C   . 17810 1 
      333 . 1 1 55 55 THR CA  C 13  61.32  0.09 . 1 . . . A 55 THR CA  . 17810 1 
      334 . 1 1 55 55 THR CB  C 13  72.09  0.05 . 1 . . . A 55 THR CB  . 17810 1 
      335 . 1 1 55 55 THR CG2 C 13  21.51  0.05 . 1 . . . A 55 THR CG2 . 17810 1 
      336 . 1 1 55 55 THR N   N 15 124.10  0.05 . 1 . . . A 55 THR N   . 17810 1 
      337 . 1 1 56 56 GLU C   C 13 180.50  0.08 . 1 . . . A 56 GLU C   . 17810 1 
      338 . 1 1 56 56 GLU CA  C 13  57.56  0.04 . 1 . . . A 56 GLU CA  . 17810 1 
      339 . 1 1 56 56 GLU CB  C 13  33.31  0.06 . 1 . . . A 56 GLU CB  . 17810 1 
      340 . 1 1 56 56 GLU CG  C 13  38.81  0.06 . 1 . . . A 56 GLU CG  . 17810 1 
      341 . 1 1 56 56 GLU CD  C 13 183.20  0.09 . 1 . . . A 56 GLU CD  . 17810 1 
      342 . 1 1 56 56 GLU N   N 15 131.08  0.08 . 1 . . . A 56 GLU N   . 17810 1 

   stop_

save_