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                      15003
   _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 '3D HNHA'                 1 $sample isotropic 15003 1 
      2 '3D_13C- SEPARATED_NOESY' 1 $sample isotropic 15003 1 
      3 '3D_15N- SEPARATED_NOESY' 1 $sample isotropic 15003 1 
      4 '2D 1H-15N HSQC'          1 $sample isotropic 15003 1 
      5 '3D HNCACB'               1 $sample isotropic 15003 1 
      6 '3D HNCA'                 1 $sample isotropic 15003 1 
      7 '3D HN(COCA)CB'           1 $sample isotropic 15003 1 
      8 '3D HCCH-COSY'            1 $sample isotropic 15003 1 
      9 '3D HCCH-TOCSY'           1 $sample isotropic 15003 1 

   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

      1 $CYANA   . . 15003 1 
      2 $NMRPipe . . 15003 1 
      3 $SPARKY  . . 15003 1 
      4 $VNMR    . . 15003 1 
      5 $TALOS   . . 15003 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 SER H    H  1   8.750 0.020 . 1 . . . .  1 SER H   . 15003 1 
        2 . 1 1  1  1 SER HA   H  1   4.525 0.020 . 1 . . . .  1 SER HA  . 15003 1 
        3 . 1 1  1  1 SER HB2  H  1   3.867 0.020 . 1 . . . .  1 SER HB2 . 15003 1 
        4 . 1 1  1  1 SER HB3  H  1   3.867 0.020 . 1 . . . .  1 SER HB3 . 15003 1 
        5 . 1 1  1  1 SER CA   C 13  58.881 0.400 . 1 . . . .  1 SER CA  . 15003 1 
        6 . 1 1  1  1 SER CB   C 13  64.471 0.400 . 1 . . . .  1 SER CB  . 15003 1 
        7 . 1 1  1  1 SER N    N 15 115.758 0.400 . 1 . . . .  1 SER N   . 15003 1 
        8 . 1 1  2  2 MET H    H  1   8.686 0.020 . 1 . . . .  2 MET H   . 15003 1 
        9 . 1 1  2  2 MET HA   H  1   4.575 0.020 . 1 . . . .  2 MET HA  . 15003 1 
       10 . 1 1  2  2 MET HB2  H  1   2.042 0.020 . 2 . . . .  2 MET HB2 . 15003 1 
       11 . 1 1  2  2 MET HB3  H  1   2.123 0.020 . 2 . . . .  2 MET HB3 . 15003 1 
       12 . 1 1  2  2 MET HG2  H  1   2.576 0.020 . 2 . . . .  2 MET HG2 . 15003 1 
       13 . 1 1  2  2 MET HG3  H  1   2.634 0.020 . 2 . . . .  2 MET HG3 . 15003 1 
       14 . 1 1  2  2 MET CA   C 13  56.193 0.400 . 1 . . . .  2 MET CA  . 15003 1 
       15 . 1 1  2  2 MET N    N 15 123.057 0.400 . 1 . . . .  2 MET N   . 15003 1 
       16 . 1 1  3  3 VAL H    H  1   8.308 0.020 . 1 . . . .  3 VAL H   . 15003 1 
       17 . 1 1  3  3 VAL HA   H  1   4.152 0.020 . 1 . . . .  3 VAL HA  . 15003 1 
       18 . 1 1  3  3 VAL HB   H  1   2.075 0.020 . 1 . . . .  3 VAL HB  . 15003 1 
       19 . 1 1  3  3 VAL HG11 H  1   0.972 0.020 . 2 . . . .  3 VAL HG1 . 15003 1 
       20 . 1 1  3  3 VAL HG12 H  1   0.972 0.020 . 2 . . . .  3 VAL HG1 . 15003 1 
       21 . 1 1  3  3 VAL HG13 H  1   0.972 0.020 . 2 . . . .  3 VAL HG1 . 15003 1 
       22 . 1 1  3  3 VAL HG21 H  1   0.972 0.020 . 2 . . . .  3 VAL HG2 . 15003 1 
       23 . 1 1  3  3 VAL HG22 H  1   0.972 0.020 . 2 . . . .  3 VAL HG2 . 15003 1 
       24 . 1 1  3  3 VAL HG23 H  1   0.972 0.020 . 2 . . . .  3 VAL HG2 . 15003 1 
       25 . 1 1  3  3 VAL CA   C 13  62.752 0.400 . 1 . . . .  3 VAL CA  . 15003 1 
       26 . 1 1  3  3 VAL CB   C 13  33.493 0.400 . 1 . . . .  3 VAL CB  . 15003 1 
       27 . 1 1  3  3 VAL CG1  C 13  21.493 0.400 . 1 . . . .  3 VAL CG1 . 15003 1 
       28 . 1 1  3  3 VAL N    N 15 121.985 0.400 . 1 . . . .  3 VAL N   . 15003 1 
       29 . 1 1  4  4 ASN H    H  1   8.636 0.020 . 1 . . . .  4 ASN H   . 15003 1 
       30 . 1 1  4  4 ASN HA   H  1   4.810 0.020 . 1 . . . .  4 ASN HA  . 15003 1 
       31 . 1 1  4  4 ASN HB2  H  1   2.727 0.020 . 2 . . . .  4 ASN HB2 . 15003 1 
       32 . 1 1  4  4 ASN HB3  H  1   2.842 0.020 . 2 . . . .  4 ASN HB3 . 15003 1 
       33 . 1 1  4  4 ASN CA   C 13  53.369 0.400 . 1 . . . .  4 ASN CA  . 15003 1 
       34 . 1 1  4  4 ASN CB   C 13  39.400 0.400 . 1 . . . .  4 ASN CB  . 15003 1 
       35 . 1 1  4  4 ASN N    N 15 123.841 0.400 . 1 . . . .  4 ASN N   . 15003 1 
       36 . 1 1  5  5 THR H    H  1   8.183 0.020 . 1 . . . .  5 THR H   . 15003 1 
       37 . 1 1  5  5 THR HA   H  1   3.567 0.020 . 1 . . . .  5 THR HA  . 15003 1 
       38 . 1 1  5  5 THR HB   H  1   3.694 0.020 . 1 . . . .  5 THR HB  . 15003 1 
       39 . 1 1  5  5 THR HG21 H  1   0.391 0.020 . 1 . . . .  5 THR HG2 . 15003 1 
       40 . 1 1  5  5 THR HG22 H  1   0.391 0.020 . 1 . . . .  5 THR HG2 . 15003 1 
       41 . 1 1  5  5 THR HG23 H  1   0.391 0.020 . 1 . . . .  5 THR HG2 . 15003 1 
       42 . 1 1  5  5 THR CA   C 13  62.758 0.400 . 1 . . . .  5 THR CA  . 15003 1 
       43 . 1 1  5  5 THR CB   C 13  71.602 0.400 . 1 . . . .  5 THR CB  . 15003 1 
       44 . 1 1  5  5 THR CG2  C 13  20.820 0.400 . 1 . . . .  5 THR CG2 . 15003 1 
       45 . 1 1  5  5 THR N    N 15 112.104 0.400 . 1 . . . .  5 THR N   . 15003 1 
       46 . 1 1  6  6 GLY H    H  1   7.864 0.020 . 1 . . . .  6 GLY H   . 15003 1 
       47 . 1 1  6  6 GLY HA2  H  1   3.707 0.020 . 2 . . . .  6 GLY HA2 . 15003 1 
       48 . 1 1  6  6 GLY HA3  H  1   4.370 0.020 . 2 . . . .  6 GLY HA3 . 15003 1 
       49 . 1 1  6  6 GLY CA   C 13  45.750 0.400 . 1 . . . .  6 GLY CA  . 15003 1 
       50 . 1 1  6  6 GLY N    N 15 104.767 0.400 . 1 . . . .  6 GLY N   . 15003 1 
       51 . 1 1  7  7 LEU H    H  1   8.014 0.020 . 1 . . . .  7 LEU H   . 15003 1 
       52 . 1 1  7  7 LEU HA   H  1   4.351 0.020 . 1 . . . .  7 LEU HA  . 15003 1 
       53 . 1 1  7  7 LEU HB2  H  1   1.284 0.020 . 2 . . . .  7 LEU HB2 . 15003 1 
       54 . 1 1  7  7 LEU HB3  H  1   1.637 0.020 . 2 . . . .  7 LEU HB3 . 15003 1 
       55 . 1 1  7  7 LEU HG   H  1   1.497 0.020 . 1 . . . .  7 LEU HG  . 15003 1 
       56 . 1 1  7  7 LEU HD11 H  1   0.692 0.020 . 2 . . . .  7 LEU HD1 . 15003 1 
       57 . 1 1  7  7 LEU HD12 H  1   0.692 0.020 . 2 . . . .  7 LEU HD1 . 15003 1 
       58 . 1 1  7  7 LEU HD13 H  1   0.692 0.020 . 2 . . . .  7 LEU HD1 . 15003 1 
       59 . 1 1  7  7 LEU HD21 H  1   0.889 0.020 . 2 . . . .  7 LEU HD2 . 15003 1 
       60 . 1 1  7  7 LEU HD22 H  1   0.889 0.020 . 2 . . . .  7 LEU HD2 . 15003 1 
       61 . 1 1  7  7 LEU HD23 H  1   0.889 0.020 . 2 . . . .  7 LEU HD2 . 15003 1 
       62 . 1 1  7  7 LEU CA   C 13  54.126 0.400 . 1 . . . .  7 LEU CA  . 15003 1 
       63 . 1 1  7  7 LEU CB   C 13  41.678 0.400 . 1 . . . .  7 LEU CB  . 15003 1 
       64 . 1 1  7  7 LEU CG   C 13  27.600 0.400 . 1 . . . .  7 LEU CG  . 15003 1 
       65 . 1 1  7  7 LEU CD1  C 13  25.109 0.400 . 1 . . . .  7 LEU CD1 . 15003 1 
       66 . 1 1  7  7 LEU N    N 15 121.760 0.400 . 1 . . . .  7 LEU N   . 15003 1 
       67 . 1 1  8  8 PRO HA   H  1   4.540 0.020 . 1 . . . .  8 PRO HA  . 15003 1 
       68 . 1 1  8  8 PRO HB2  H  1   2.006 0.020 . 2 . . . .  8 PRO HB2 . 15003 1 
       69 . 1 1  8  8 PRO HB3  H  1   2.386 0.020 . 2 . . . .  8 PRO HB3 . 15003 1 
       70 . 1 1  8  8 PRO HG2  H  1   1.691 0.020 . 2 . . . .  8 PRO HG2 . 15003 1 
       71 . 1 1  8  8 PRO HG3  H  1   1.740 0.020 . 2 . . . .  8 PRO HG3 . 15003 1 
       72 . 1 1  8  8 PRO HD2  H  1   2.849 0.020 . 2 . . . .  8 PRO HD2 . 15003 1 
       73 . 1 1  8  8 PRO HD3  H  1   3.641 0.020 . 2 . . . .  8 PRO HD3 . 15003 1 
       74 . 1 1  8  8 PRO CA   C 13  62.738 0.400 . 1 . . . .  8 PRO CA  . 15003 1 
       75 . 1 1  8  8 PRO CB   C 13  32.451 0.400 . 1 . . . .  8 PRO CB  . 15003 1 
       76 . 1 1  8  8 PRO CG   C 13  28.353 0.400 . 1 . . . .  8 PRO CG  . 15003 1 
       77 . 1 1  8  8 PRO CD   C 13  50.789 0.400 . 1 . . . .  8 PRO CD  . 15003 1 
       78 . 1 1  9  9 ALA H    H  1   8.482 0.020 . 1 . . . .  9 ALA H   . 15003 1 
       79 . 1 1  9  9 ALA HA   H  1   4.111 0.020 . 1 . . . .  9 ALA HA  . 15003 1 
       80 . 1 1  9  9 ALA HB1  H  1   1.385 0.020 . 1 . . . .  9 ALA HB  . 15003 1 
       81 . 1 1  9  9 ALA HB2  H  1   1.385 0.020 . 1 . . . .  9 ALA HB  . 15003 1 
       82 . 1 1  9  9 ALA HB3  H  1   1.385 0.020 . 1 . . . .  9 ALA HB  . 15003 1 
       83 . 1 1  9  9 ALA CA   C 13  54.869 0.400 . 1 . . . .  9 ALA CA  . 15003 1 
       84 . 1 1  9  9 ALA CB   C 13  19.005 0.400 . 1 . . . .  9 ALA CB  . 15003 1 
       85 . 1 1  9  9 ALA N    N 15 122.450 0.400 . 1 . . . .  9 ALA N   . 15003 1 
       86 . 1 1 10 10 GLY H    H  1   8.715 0.020 . 1 . . . . 10 GLY H   . 15003 1 
       87 . 1 1 10 10 GLY HA2  H  1   3.534 0.020 . 2 . . . . 10 GLY HA2 . 15003 1 
       88 . 1 1 10 10 GLY HA3  H  1   4.191 0.020 . 2 . . . . 10 GLY HA3 . 15003 1 
       89 . 1 1 10 10 GLY CA   C 13  45.415 0.400 . 1 . . . . 10 GLY CA  . 15003 1 
       90 . 1 1 10 10 GLY N    N 15 110.710 0.400 . 1 . . . . 10 GLY N   . 15003 1 
       91 . 1 1 11 11 TRP H    H  1   7.608 0.020 . 1 . . . . 11 TRP H   . 15003 1 
       92 . 1 1 11 11 TRP HA   H  1   4.861 0.020 . 1 . . . . 11 TRP HA  . 15003 1 
       93 . 1 1 11 11 TRP HB2  H  1   2.989 0.020 . 2 . . . . 11 TRP HB2 . 15003 1 
       94 . 1 1 11 11 TRP HB3  H  1   3.227 0.020 . 2 . . . . 11 TRP HB3 . 15003 1 
       95 . 1 1 11 11 TRP HD1  H  1   7.014 0.020 . 1 . . . . 11 TRP HD1 . 15003 1 
       96 . 1 1 11 11 TRP HE3  H  1   6.996 0.020 . 1 . . . . 11 TRP HE3 . 15003 1 
       97 . 1 1 11 11 TRP HZ2  H  1   7.288 0.020 . 1 . . . . 11 TRP HZ2 . 15003 1 
       98 . 1 1 11 11 TRP HZ3  H  1   6.953 0.020 . 1 . . . . 11 TRP HZ3 . 15003 1 
       99 . 1 1 11 11 TRP HH2  H  1   7.991 0.020 . 1 . . . . 11 TRP HH2 . 15003 1 
      100 . 1 1 11 11 TRP CA   C 13  57.880 0.400 . 1 . . . . 11 TRP CA  . 15003 1 
      101 . 1 1 11 11 TRP CB   C 13  32.798 0.400 . 1 . . . . 11 TRP CB  . 15003 1 
      102 . 1 1 11 11 TRP CD1  C 13 127.132 0.400 . 1 . . . . 11 TRP CD1 . 15003 1 
      103 . 1 1 11 11 TRP CE3  C 13 124.188 0.400 . 1 . . . . 11 TRP CE3 . 15003 1 
      104 . 1 1 11 11 TRP CZ2  C 13 114.251 0.400 . 1 . . . . 11 TRP CZ2 . 15003 1 
      105 . 1 1 11 11 TRP CZ3  C 13 122.082 0.400 . 1 . . . . 11 TRP CZ3 . 15003 1 
      106 . 1 1 11 11 TRP CH2  C 13 121.593 0.400 . 1 . . . . 11 TRP CH2 . 15003 1 
      107 . 1 1 11 11 TRP N    N 15 117.455 0.400 . 1 . . . . 11 TRP N   . 15003 1 
      108 . 1 1 12 12 GLU H    H  1   9.513 0.020 . 1 . . . . 12 GLU H   . 15003 1 
      109 . 1 1 12 12 GLU HA   H  1   4.795 0.020 . 1 . . . . 12 GLU HA  . 15003 1 
      110 . 1 1 12 12 GLU HB2  H  1   2.020 0.020 . 2 . . . . 12 GLU HB2 . 15003 1 
      111 . 1 1 12 12 GLU HB3  H  1   2.144 0.020 . 2 . . . . 12 GLU HB3 . 15003 1 
      112 . 1 1 12 12 GLU CA   C 13  54.428 0.400 . 1 . . . . 12 GLU CA  . 15003 1 
      113 . 1 1 12 12 GLU CB   C 13  33.648 0.400 . 1 . . . . 12 GLU CB  . 15003 1 
      114 . 1 1 12 12 GLU N    N 15 119.257 0.400 . 1 . . . . 12 GLU N   . 15003 1 
      115 . 1 1 13 13 VAL H    H  1   8.689 0.020 . 1 . . . . 13 VAL H   . 15003 1 
      116 . 1 1 13 13 VAL HA   H  1   4.473 0.020 . 1 . . . . 13 VAL HA  . 15003 1 
      117 . 1 1 13 13 VAL HB   H  1   1.914 0.020 . 1 . . . . 13 VAL HB  . 15003 1 
      118 . 1 1 13 13 VAL HG11 H  1   0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1 
      119 . 1 1 13 13 VAL HG12 H  1   0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1 
      120 . 1 1 13 13 VAL HG13 H  1   0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1 
      121 . 1 1 13 13 VAL HG21 H  1   0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1 
      122 . 1 1 13 13 VAL HG22 H  1   0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1 
      123 . 1 1 13 13 VAL HG23 H  1   0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1 
      124 . 1 1 13 13 VAL CA   C 13  62.257 0.400 . 1 . . . . 13 VAL CA  . 15003 1 
      125 . 1 1 13 13 VAL CG1  C 13  21.931 0.400 . 1 . . . . 13 VAL CG1 . 15003 1 
      126 . 1 1 13 13 VAL CG2  C 13  23.097 0.400 . 1 . . . . 13 VAL CG2 . 15003 1 
      127 . 1 1 13 13 VAL N    N 15 121.032 0.400 . 1 . . . . 13 VAL N   . 15003 1 
      128 . 1 1 14 14 ARG H    H  1   8.607 0.020 . 1 . . . . 14 ARG H   . 15003 1 
      129 . 1 1 14 14 ARG HA   H  1   4.500 0.020 . 1 . . . . 14 ARG HA  . 15003 1 
      130 . 1 1 14 14 ARG HB2  H  1   0.010 0.020 . 2 . . . . 14 ARG HB2 . 15003 1 
      131 . 1 1 14 14 ARG HB3  H  1   1.312 0.020 . 2 . . . . 14 ARG HB3 . 15003 1 
      132 . 1 1 14 14 ARG HG2  H  1   1.148 0.020 . 2 . . . . 14 ARG HG2 . 15003 1 
      133 . 1 1 14 14 ARG HG3  H  1   1.317 0.020 . 2 . . . . 14 ARG HG3 . 15003 1 
      134 . 1 1 14 14 ARG HD2  H  1   2.654 0.020 . 2 . . . . 14 ARG HD2 . 15003 1 
      135 . 1 1 14 14 ARG HD3  H  1   2.932 0.020 . 2 . . . . 14 ARG HD3 . 15003 1 
      136 . 1 1 14 14 ARG CA   C 13  54.260 0.400 . 1 . . . . 14 ARG CA  . 15003 1 
      137 . 1 1 14 14 ARG CB   C 13  34.742 0.400 . 1 . . . . 14 ARG CB  . 15003 1 
      138 . 1 1 14 14 ARG CG   C 13  28.533 0.400 . 1 . . . . 14 ARG CG  . 15003 1 
      139 . 1 1 14 14 ARG CD   C 13  43.784 0.400 . 1 . . . . 14 ARG CD  . 15003 1 
      140 . 1 1 14 14 ARG N    N 15 127.340 0.400 . 1 . . . . 14 ARG N   . 15003 1 
      141 . 1 1 15 15 HIS H    H  1   8.623 0.020 . 1 . . . . 15 HIS H   . 15003 1 
      142 . 1 1 15 15 HIS HA   H  1   4.870 0.020 . 1 . . . . 15 HIS HA  . 15003 1 
      143 . 1 1 15 15 HIS HB2  H  1   3.024 0.020 . 2 . . . . 15 HIS HB2 . 15003 1 
      144 . 1 1 15 15 HIS HB3  H  1   3.131 0.020 . 2 . . . . 15 HIS HB3 . 15003 1 
      145 . 1 1 15 15 HIS HD2  H  1   7.226 0.020 . 1 . . . . 15 HIS HD2 . 15003 1 
      146 . 1 1 15 15 HIS HE1  H  1   8.470 0.020 . 1 . . . . 15 HIS HE1 . 15003 1 
      147 . 1 1 15 15 HIS CA   C 13  55.873 0.400 . 1 . . . . 15 HIS CA  . 15003 1 
      148 . 1 1 15 15 HIS CD2  C 13 119.851 0.400 . 1 . . . . 15 HIS CD2 . 15003 1 
      149 . 1 1 15 15 HIS CE1  C 13 135.990 0.400 . 1 . . . . 15 HIS CE1 . 15003 1 
      150 . 1 1 15 15 HIS N    N 15 116.340 0.400 . 1 . . . . 15 HIS N   . 15003 1 
      151 . 1 1 16 16 SER H    H  1   9.014 0.020 . 1 . . . . 16 SER H   . 15003 1 
      152 . 1 1 16 16 SER HA   H  1   4.739 0.020 . 1 . . . . 16 SER HA  . 15003 1 
      153 . 1 1 16 16 SER HB2  H  1   4.159 0.020 . 1 . . . . 16 SER HB2 . 15003 1 
      154 . 1 1 16 16 SER HB3  H  1   4.159 0.020 . 1 . . . . 16 SER HB3 . 15003 1 
      155 . 1 1 16 16 SER CA   C 13  57.666 0.400 . 1 . . . . 16 SER CA  . 15003 1 
      156 . 1 1 16 16 SER CB   C 13  64.930 0.400 . 1 . . . . 16 SER CB  . 15003 1 
      157 . 1 1 16 16 SER N    N 15 120.581 0.400 . 1 . . . . 16 SER N   . 15003 1 
      158 . 1 1 17 17 ASN H    H  1   9.098 0.020 . 1 . . . . 17 ASN H   . 15003 1 
      159 . 1 1 17 17 ASN HA   H  1   4.725 0.020 . 1 . . . . 17 ASN HA  . 15003 1 
      160 . 1 1 17 17 ASN HB2  H  1   2.920 0.020 . 1 . . . . 17 ASN HB2 . 15003 1 
      161 . 1 1 17 17 ASN HB3  H  1   2.920 0.020 . 1 . . . . 17 ASN HB3 . 15003 1 
      162 . 1 1 17 17 ASN CA   C 13  55.370 0.400 . 1 . . . . 17 ASN CA  . 15003 1 
      163 . 1 1 17 17 ASN CB   C 13  38.788 0.400 . 1 . . . . 17 ASN CB  . 15003 1 
      164 . 1 1 17 17 ASN N    N 15 125.328 0.400 . 1 . . . . 17 ASN N   . 15003 1 
      165 . 1 1 18 18 SER H    H  1   8.487 0.020 . 1 . . . . 18 SER H   . 15003 1 
      166 . 1 1 18 18 SER HA   H  1   4.376 0.020 . 1 . . . . 18 SER HA  . 15003 1 
      167 . 1 1 18 18 SER HB2  H  1   3.882 0.020 . 1 . . . . 18 SER HB2 . 15003 1 
      168 . 1 1 18 18 SER HB3  H  1   3.882 0.020 . 1 . . . . 18 SER HB3 . 15003 1 
      169 . 1 1 18 18 SER CA   C 13  60.120 0.400 . 1 . . . . 18 SER CA  . 15003 1 
      170 . 1 1 18 18 SER CB   C 13  63.360 0.400 . 1 . . . . 18 SER CB  . 15003 1 
      171 . 1 1 18 18 SER N    N 15 114.650 0.400 . 1 . . . . 18 SER N   . 15003 1 
      172 . 1 1 19 19 LYS H    H  1   7.957 0.020 . 1 . . . . 19 LYS H   . 15003 1 
      173 . 1 1 19 19 LYS HA   H  1   4.272 0.020 . 1 . . . . 19 LYS HA  . 15003 1 
      174 . 1 1 19 19 LYS HB2  H  1   1.654 0.020 . 2 . . . . 19 LYS HB2 . 15003 1 
      175 . 1 1 19 19 LYS HB3  H  1   1.817 0.020 . 2 . . . . 19 LYS HB3 . 15003 1 
      176 . 1 1 19 19 LYS HG2  H  1   1.325 0.020 . 2 . . . . 19 LYS HG2 . 15003 1 
      177 . 1 1 19 19 LYS HE2  H  1   1.598 0.020 . 2 . . . . 19 LYS HE2 . 15003 1 
      178 . 1 1 19 19 LYS HE3  H  1   1.784 0.020 . 2 . . . . 19 LYS HE3 . 15003 1 
      179 . 1 1 19 19 LYS CB   C 13  33.279 0.400 . 1 . . . . 19 LYS CB  . 15003 1 
      180 . 1 1 19 19 LYS CE   C 13  42.178 0.400 . 1 . . . . 19 LYS CE  . 15003 1 
      181 . 1 1 19 19 LYS N    N 15 118.980 0.400 . 1 . . . . 19 LYS N   . 15003 1 
      182 . 1 1 20 20 ASN H    H  1   8.040 0.020 . 1 . . . . 20 ASN H   . 15003 1 
      183 . 1 1 20 20 ASN HA   H  1   4.587 0.020 . 1 . . . . 20 ASN HA  . 15003 1 
      184 . 1 1 20 20 ASN HB2  H  1   2.642 0.020 . 2 . . . . 20 ASN HB2 . 15003 1 
      185 . 1 1 20 20 ASN HB3  H  1   3.248 0.020 . 2 . . . . 20 ASN HB3 . 15003 1 
      186 . 1 1 20 20 ASN CA   C 13  54.057 0.400 . 1 . . . . 20 ASN CA  . 15003 1 
      187 . 1 1 20 20 ASN CB   C 13  38.156 0.400 . 1 . . . . 20 ASN CB  . 15003 1 
      188 . 1 1 20 20 ASN N    N 15 117.020 0.400 . 1 . . . . 20 ASN N   . 15003 1 
      189 . 1 1 21 21 LEU H    H  1   7.500 0.020 . 1 . . . . 21 LEU H   . 15003 1 
      190 . 1 1 21 21 LEU HA   H  1   4.928 0.020 . 1 . . . . 21 LEU HA  . 15003 1 
      191 . 1 1 21 21 LEU HB2  H  1   1.656 0.020 . 2 . . . . 21 LEU HB2 . 15003 1 
      192 . 1 1 21 21 LEU HB3  H  1   1.789 0.020 . 2 . . . . 21 LEU HB3 . 15003 1 
      193 . 1 1 21 21 LEU HG   H  1   1.712 0.020 . 1 . . . . 21 LEU HG  . 15003 1 
      194 . 1 1 21 21 LEU HD11 H  1   0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1 
      195 . 1 1 21 21 LEU HD12 H  1   0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1 
      196 . 1 1 21 21 LEU HD13 H  1   0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1 
      197 . 1 1 21 21 LEU HD21 H  1   1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1 
      198 . 1 1 21 21 LEU HD22 H  1   1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1 
      199 . 1 1 21 21 LEU HD23 H  1   1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1 
      200 . 1 1 21 21 LEU CA   C 13  53.049 0.400 . 1 . . . . 21 LEU CA  . 15003 1 
      201 . 1 1 21 21 LEU CB   C 13  46.413 0.400 . 1 . . . . 21 LEU CB  . 15003 1 
      202 . 1 1 21 21 LEU CD1  C 13  26.056 0.400 . 1 . . . . 21 LEU CD1 . 15003 1 
      203 . 1 1 21 21 LEU N    N 15 119.126 0.400 . 1 . . . . 21 LEU N   . 15003 1 
      204 . 1 1 22 22 PRO HA   H  1   5.175 0.020 . 1 . . . . 22 PRO HA  . 15003 1 
      205 . 1 1 22 22 PRO HB2  H  1   1.524 0.020 . 2 . . . . 22 PRO HB2 . 15003 1 
      206 . 1 1 22 22 PRO HB3  H  1   1.967 0.020 . 2 . . . . 22 PRO HB3 . 15003 1 
      207 . 1 1 22 22 PRO HG2  H  1   2.032 0.020 . 2 . . . . 22 PRO HG2 . 15003 1 
      208 . 1 1 22 22 PRO HG3  H  1   2.121 0.020 . 2 . . . . 22 PRO HG3 . 15003 1 
      209 . 1 1 22 22 PRO HD2  H  1   3.837 0.020 . 2 . . . . 22 PRO HD2 . 15003 1 
      210 . 1 1 22 22 PRO HD3  H  1   3.931 0.020 . 2 . . . . 22 PRO HD3 . 15003 1 
      211 . 1 1 22 22 PRO CA   C 13  62.688 0.400 . 1 . . . . 22 PRO CA  . 15003 1 
      212 . 1 1 22 22 PRO CB   C 13  33.365 0.400 . 1 . . . . 22 PRO CB  . 15003 1 
      213 . 1 1 22 22 PRO CD   C 13  51.212 0.400 . 1 . . . . 22 PRO CD  . 15003 1 
      214 . 1 1 23 23 TYR H    H  1   8.401 0.020 . 1 . . . . 23 TYR H   . 15003 1 
      215 . 1 1 23 23 TYR HA   H  1   4.271 0.020 . 1 . . . . 23 TYR HA  . 15003 1 
      216 . 1 1 23 23 TYR HB2  H  1   2.317 0.020 . 1 . . . . 23 TYR HB2 . 15003 1 
      217 . 1 1 23 23 TYR HB3  H  1   2.317 0.020 . 1 . . . . 23 TYR HB3 . 15003 1 
      218 . 1 1 23 23 TYR HD1  H  1   6.650 0.020 . 1 . . . . 23 TYR HD1 . 15003 1 
      219 . 1 1 23 23 TYR HD2  H  1   6.650 0.020 . 1 . . . . 23 TYR HD2 . 15003 1 
      220 . 1 1 23 23 TYR HE1  H  1   6.268 0.020 . 1 . . . . 23 TYR HE1 . 15003 1 
      221 . 1 1 23 23 TYR HE2  H  1   6.268 0.020 . 1 . . . . 23 TYR HE2 . 15003 1 
      222 . 1 1 23 23 TYR CB   C 13  39.418 0.400 . 1 . . . . 23 TYR CB  . 15003 1 
      223 . 1 1 23 23 TYR CD1  C 13 133.823 0.400 . 1 . . . . 23 TYR CD1 . 15003 1 
      224 . 1 1 23 23 TYR CE1  C 13 117.023 0.400 . 1 . . . . 23 TYR CE1 . 15003 1 
      225 . 1 1 23 23 TYR N    N 15 115.563 0.400 . 1 . . . . 23 TYR N   . 15003 1 
      226 . 1 1 24 24 TYR H    H  1   8.763 0.020 . 1 . . . . 24 TYR H   . 15003 1 
      227 . 1 1 24 24 TYR HA   H  1   5.283 0.020 . 1 . . . . 24 TYR HA  . 15003 1 
      228 . 1 1 24 24 TYR HB2  H  1   2.664 0.020 . 2 . . . . 24 TYR HB2 . 15003 1 
      229 . 1 1 24 24 TYR HB3  H  1   2.888 0.020 . 2 . . . . 24 TYR HB3 . 15003 1 
      230 . 1 1 24 24 TYR HD1  H  1   6.726 0.020 . 1 . . . . 24 TYR HD1 . 15003 1 
      231 . 1 1 24 24 TYR HD2  H  1   6.726 0.020 . 1 . . . . 24 TYR HD2 . 15003 1 
      232 . 1 1 24 24 TYR HE1  H  1   6.667 0.020 . 1 . . . . 24 TYR HE1 . 15003 1 
      233 . 1 1 24 24 TYR HE2  H  1   6.667 0.020 . 1 . . . . 24 TYR HE2 . 15003 1 
      234 . 1 1 24 24 TYR CA   C 13  57.103 0.400 . 1 . . . . 24 TYR CA  . 15003 1 
      235 . 1 1 24 24 TYR CD1  C 13 133.517 0.400 . 1 . . . . 24 TYR CD1 . 15003 1 
      236 . 1 1 24 24 TYR CE1  C 13 117.227 0.400 . 1 . . . . 24 TYR CE1 . 15003 1 
      237 . 1 1 24 24 TYR N    N 15 118.388 0.400 . 1 . . . . 24 TYR N   . 15003 1 
      238 . 1 1 25 25 PHE H    H  1   9.507 0.020 . 1 . . . . 25 PHE H   . 15003 1 
      239 . 1 1 25 25 PHE HA   H  1   5.844 0.020 . 1 . . . . 25 PHE HA  . 15003 1 
      240 . 1 1 25 25 PHE HB2  H  1   2.436 0.020 . 2 . . . . 25 PHE HB2 . 15003 1 
      241 . 1 1 25 25 PHE HB3  H  1   2.827 0.020 . 2 . . . . 25 PHE HB3 . 15003 1 
      242 . 1 1 25 25 PHE HD1  H  1   7.116 0.020 . 1 . . . . 25 PHE HD1 . 15003 1 
      243 . 1 1 25 25 PHE HD2  H  1   7.116 0.020 . 1 . . . . 25 PHE HD2 . 15003 1 
      244 . 1 1 25 25 PHE HE1  H  1   6.766 0.020 . 1 . . . . 25 PHE HE1 . 15003 1 
      245 . 1 1 25 25 PHE HE2  H  1   6.766 0.020 . 1 . . . . 25 PHE HE2 . 15003 1 
      246 . 1 1 25 25 PHE HZ   H  1   8.555 0.020 . 1 . . . . 25 PHE HZ  . 15003 1 
      247 . 1 1 25 25 PHE CA   C 13  56.405 0.400 . 1 . . . . 25 PHE CA  . 15003 1 
      248 . 1 1 25 25 PHE CB   C 13  45.960 0.400 . 1 . . . . 25 PHE CB  . 15003 1 
      249 . 1 1 25 25 PHE CD1  C 13 131.366 0.400 . 1 . . . . 25 PHE CD1 . 15003 1 
      250 . 1 1 25 25 PHE CE1  C 13 117.895 0.400 . 1 . . . . 25 PHE CE1 . 15003 1 
      251 . 1 1 25 25 PHE CZ   C 13 135.707 0.400 . 1 . . . . 25 PHE CZ  . 15003 1 
      252 . 1 1 25 25 PHE N    N 15 124.942 0.400 . 1 . . . . 25 PHE N   . 15003 1 
      253 . 1 1 26 26 ASN H    H  1   7.519 0.020 . 1 . . . . 26 ASN H   . 15003 1 
      254 . 1 1 26 26 ASN HA   H  1   4.746 0.020 . 1 . . . . 26 ASN HA  . 15003 1 
      255 . 1 1 26 26 ASN HB2  H  1   2.111 0.020 . 2 . . . . 26 ASN HB2 . 15003 1 
      256 . 1 1 26 26 ASN HB3  H  1   2.324 0.020 . 2 . . . . 26 ASN HB3 . 15003 1 
      257 . 1 1 26 26 ASN CA   C 13  48.571 0.400 . 1 . . . . 26 ASN CA  . 15003 1 
      258 . 1 1 26 26 ASN CB   C 13  39.183 0.400 . 1 . . . . 26 ASN CB  . 15003 1 
      259 . 1 1 26 26 ASN N    N 15 127.659 0.400 . 1 . . . . 26 ASN N   . 15003 1 
      260 . 1 1 27 27 PRO HA   H  1   3.745 0.020 . 1 . . . . 27 PRO HA  . 15003 1 
      261 . 1 1 27 27 PRO HB2  H  1   1.868 0.020 . 2 . . . . 27 PRO HB2 . 15003 1 
      262 . 1 1 27 27 PRO HB3  H  1   2.288 0.020 . 2 . . . . 27 PRO HB3 . 15003 1 
      263 . 1 1 27 27 PRO HG2  H  1   1.844 0.020 . 2 . . . . 27 PRO HG2 . 15003 1 
      264 . 1 1 27 27 PRO HG3  H  1   1.958 0.020 . 2 . . . . 27 PRO HG3 . 15003 1 
      265 . 1 1 27 27 PRO HD2  H  1   3.426 0.020 . 2 . . . . 27 PRO HD2 . 15003 1 
      266 . 1 1 27 27 PRO HD3  H  1   3.880 0.020 . 2 . . . . 27 PRO HD3 . 15003 1 
      267 . 1 1 27 27 PRO CA   C 13  64.854 0.400 . 1 . . . . 27 PRO CA  . 15003 1 
      268 . 1 1 27 27 PRO CB   C 13  32.825 0.400 . 1 . . . . 27 PRO CB  . 15003 1 
      269 . 1 1 27 27 PRO CD   C 13  51.176 0.400 . 1 . . . . 27 PRO CD  . 15003 1 
      270 . 1 1 28 28 ALA H    H  1   7.872 0.020 . 1 . . . . 28 ALA H   . 15003 1 
      271 . 1 1 28 28 ALA HA   H  1   4.089 0.020 . 1 . . . . 28 ALA HA  . 15003 1 
      272 . 1 1 28 28 ALA HB1  H  1   1.342 0.020 . 1 . . . . 28 ALA HB  . 15003 1 
      273 . 1 1 28 28 ALA HB2  H  1   1.342 0.020 . 1 . . . . 28 ALA HB  . 15003 1 
      274 . 1 1 28 28 ALA HB3  H  1   1.342 0.020 . 1 . . . . 28 ALA HB  . 15003 1 
      275 . 1 1 28 28 ALA CA   C 13  55.136 0.400 . 1 . . . . 28 ALA CA  . 15003 1 
      276 . 1 1 28 28 ALA N    N 15 118.815 0.400 . 1 . . . . 28 ALA N   . 15003 1 
      277 . 1 1 29 29 THR H    H  1   7.164 0.020 . 1 . . . . 29 THR H   . 15003 1 
      278 . 1 1 29 29 THR HA   H  1   4.279 0.020 . 1 . . . . 29 THR HA  . 15003 1 
      279 . 1 1 29 29 THR HB   H  1   4.224 0.020 . 1 . . . . 29 THR HB  . 15003 1 
      280 . 1 1 29 29 THR HG21 H  1   0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1 
      281 . 1 1 29 29 THR HG22 H  1   0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1 
      282 . 1 1 29 29 THR HG23 H  1   0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1 
      283 . 1 1 29 29 THR CB   C 13  70.326 0.400 . 1 . . . . 29 THR CB  . 15003 1 
      284 . 1 1 29 29 THR N    N 15 106.145 0.400 . 1 . . . . 29 THR N   . 15003 1 
      285 . 1 1 30 30 ARG H    H  1   8.274 0.020 . 1 . . . . 30 ARG H   . 15003 1 
      286 . 1 1 30 30 ARG HA   H  1   3.320 0.020 . 1 . . . . 30 ARG HA  . 15003 1 
      287 . 1 1 30 30 ARG HB2  H  1   2.121 0.020 . 1 . . . . 30 ARG HB2 . 15003 1 
      288 . 1 1 30 30 ARG HB3  H  1   2.121 0.020 . 1 . . . . 30 ARG HB3 . 15003 1 
      289 . 1 1 30 30 ARG HG2  H  1   1.540 0.020 . 1 . . . . 30 ARG HG2 . 15003 1 
      290 . 1 1 30 30 ARG HG3  H  1   1.540 0.020 . 1 . . . . 30 ARG HG3 . 15003 1 
      291 . 1 1 30 30 ARG CA   C 13  58.285 0.400 . 1 . . . . 30 ARG CA  . 15003 1 
      292 . 1 1 30 30 ARG CB   C 13  26.890 0.400 . 1 . . . . 30 ARG CB  . 15003 1 
      293 . 1 1 30 30 ARG CG   C 13  28.597 0.400 . 1 . . . . 30 ARG CG  . 15003 1 
      294 . 1 1 30 30 ARG N    N 15 117.407 0.400 . 1 . . . . 30 ARG N   . 15003 1 
      295 . 1 1 31 31 GLU H    H  1   7.235 0.020 . 1 . . . . 31 GLU H   . 15003 1 
      296 . 1 1 31 31 GLU HA   H  1   4.311 0.020 . 1 . . . . 31 GLU HA  . 15003 1 
      297 . 1 1 31 31 GLU HB2  H  1   1.743 0.020 . 2 . . . . 31 GLU HB2 . 15003 1 
      298 . 1 1 31 31 GLU HB3  H  1   1.840 0.020 . 2 . . . . 31 GLU HB3 . 15003 1 
      299 . 1 1 31 31 GLU HG2  H  1   2.259 0.020 . 2 . . . . 31 GLU HG2 . 15003 1 
      300 . 1 1 31 31 GLU HG3  H  1   2.457 0.020 . 2 . . . . 31 GLU HG3 . 15003 1 
      301 . 1 1 31 31 GLU CA   C 13  57.170 0.400 . 1 . . . . 31 GLU CA  . 15003 1 
      302 . 1 1 31 31 GLU CB   C 13  31.860 0.400 . 1 . . . . 31 GLU CB  . 15003 1 
      303 . 1 1 31 31 GLU CG   C 13  36.731 0.400 . 1 . . . . 31 GLU CG  . 15003 1 
      304 . 1 1 31 31 GLU N    N 15 120.195 0.400 . 1 . . . . 31 GLU N   . 15003 1 
      305 . 1 1 32 32 SER H    H  1   8.539 0.020 . 1 . . . . 32 SER H   . 15003 1 
      306 . 1 1 32 32 SER HA   H  1   5.851 0.020 . 1 . . . . 32 SER HA  . 15003 1 
      307 . 1 1 32 32 SER HB2  H  1   3.659 0.020 . 1 . . . . 32 SER HB2 . 15003 1 
      308 . 1 1 32 32 SER HB3  H  1   3.659 0.020 . 1 . . . . 32 SER HB3 . 15003 1 
      309 . 1 1 32 32 SER CB   C 13  66.212 0.400 . 1 . . . . 32 SER CB  . 15003 1 
      310 . 1 1 32 32 SER N    N 15 118.014 0.400 . 1 . . . . 32 SER N   . 15003 1 
      311 . 1 1 33 33 ARG H    H  1   9.671 0.020 . 1 . . . . 33 ARG H   . 15003 1 
      312 . 1 1 33 33 ARG HA   H  1   4.809 0.020 . 1 . . . . 33 ARG HA  . 15003 1 
      313 . 1 1 33 33 ARG HB2  H  1   1.784 0.020 . 2 . . . . 33 ARG HB2 . 15003 1 
      314 . 1 1 33 33 ARG HB3  H  1   2.466 0.020 . 2 . . . . 33 ARG HB3 . 15003 1 
      315 . 1 1 33 33 ARG HG2  H  1   1.704 0.020 . 2 . . . . 33 ARG HG2 . 15003 1 
      316 . 1 1 33 33 ARG HG3  H  1   1.819 0.020 . 2 . . . . 33 ARG HG3 . 15003 1 
      317 . 1 1 33 33 ARG HD2  H  1   2.595 0.020 . 2 . . . . 33 ARG HD2 . 15003 1 
      318 . 1 1 33 33 ARG HD3  H  1   3.241 0.020 . 2 . . . . 33 ARG HD3 . 15003 1 
      319 . 1 1 33 33 ARG CA   C 13  55.070 0.400 . 1 . . . . 33 ARG CA  . 15003 1 
      320 . 1 1 33 33 ARG CB   C 13  36.918 0.400 . 1 . . . . 33 ARG CB  . 15003 1 
      321 . 1 1 33 33 ARG CG   C 13  27.724 0.400 . 1 . . . . 33 ARG CG  . 15003 1 
      322 . 1 1 33 33 ARG CD   C 13  45.328 0.400 . 1 . . . . 33 ARG CD  . 15003 1 
      323 . 1 1 33 33 ARG N    N 15 122.211 0.400 . 1 . . . . 33 ARG N   . 15003 1 
      324 . 1 1 34 34 TRP H    H  1   8.928 0.020 . 1 . . . . 34 TRP H   . 15003 1 
      325 . 1 1 34 34 TRP HA   H  1   4.929 0.020 . 1 . . . . 34 TRP HA  . 15003 1 
      326 . 1 1 34 34 TRP HB2  H  1   3.131 0.020 . 2 . . . . 34 TRP HB2 . 15003 1 
      327 . 1 1 34 34 TRP HB3  H  1   3.690 0.020 . 2 . . . . 34 TRP HB3 . 15003 1 
      328 . 1 1 34 34 TRP HD1  H  1   7.379 0.020 . 1 . . . . 34 TRP HD1 . 15003 1 
      329 . 1 1 34 34 TRP HE3  H  1   6.862 0.020 . 1 . . . . 34 TRP HE3 . 15003 1 
      330 . 1 1 34 34 TRP HZ2  H  1   7.488 0.020 . 1 . . . . 34 TRP HZ2 . 15003 1 
      331 . 1 1 34 34 TRP HZ3  H  1   6.867 0.020 . 1 . . . . 34 TRP HZ3 . 15003 1 
      332 . 1 1 34 34 TRP HH2  H  1   7.382 0.020 . 1 . . . . 34 TRP HH2 . 15003 1 
      333 . 1 1 34 34 TRP CA   C 13  58.666 0.400 . 1 . . . . 34 TRP CA  . 15003 1 
      334 . 1 1 34 34 TRP CD1  C 13 127.714 0.400 . 1 . . . . 34 TRP CD1 . 15003 1 
      335 . 1 1 34 34 TRP CE3  C 13 124.729 0.400 . 1 . . . . 34 TRP CE3 . 15003 1 
      336 . 1 1 34 34 TRP CZ2  C 13 114.873 0.400 . 1 . . . . 34 TRP CZ2 . 15003 1 
      337 . 1 1 34 34 TRP CZ3  C 13 122.048 0.400 . 1 . . . . 34 TRP CZ3 . 15003 1 
      338 . 1 1 34 34 TRP CH2  C 13 119.697 0.400 . 1 . . . . 34 TRP CH2 . 15003 1 
      339 . 1 1 34 34 TRP N    N 15 119.813 0.400 . 1 . . . . 34 TRP N   . 15003 1 
      340 . 1 1 35 35 GLU H    H  1   7.652 0.020 . 1 . . . . 35 GLU H   . 15003 1 
      341 . 1 1 35 35 GLU HA   H  1   5.061 0.020 . 1 . . . . 35 GLU HA  . 15003 1 
      342 . 1 1 35 35 GLU HB2  H  1   1.816 0.020 . 2 . . . . 35 GLU HB2 . 15003 1 
      343 . 1 1 35 35 GLU HB3  H  1   2.078 0.020 . 2 . . . . 35 GLU HB3 . 15003 1 
      344 . 1 1 35 35 GLU CA   C 13  53.038 0.400 . 1 . . . . 35 GLU CA  . 15003 1 
      345 . 1 1 35 35 GLU CB   C 13  29.941 0.400 . 1 . . . . 35 GLU CB  . 15003 1 
      346 . 1 1 35 35 GLU N    N 15 117.362 0.400 . 1 . . . . 35 GLU N   . 15003 1 
      347 . 1 1 37 37 PRO HA   H  1   3.890 0.020 . 1 . . . . 37 PRO HA  . 15003 1 
      348 . 1 1 37 37 PRO HB2  H  1   0.905 0.020 . 2 . . . . 37 PRO HB2 . 15003 1 
      349 . 1 1 37 37 PRO HB3  H  1   1.222 0.020 . 2 . . . . 37 PRO HB3 . 15003 1 
      350 . 1 1 37 37 PRO HG2  H  1  -0.268 0.020 . 2 . . . . 37 PRO HG2 . 15003 1 
      351 . 1 1 37 37 PRO HG3  H  1   0.430 0.020 . 2 . . . . 37 PRO HG3 . 15003 1 
      352 . 1 1 37 37 PRO HD2  H  1   2.229 0.020 . 2 . . . . 37 PRO HD2 . 15003 1 
      353 . 1 1 37 37 PRO HD3  H  1   2.665 0.020 . 2 . . . . 37 PRO HD3 . 15003 1 
      354 . 1 1 37 37 PRO CA   C 13  61.855 0.400 . 1 . . . . 37 PRO CA  . 15003 1 
      355 . 1 1 37 37 PRO CB   C 13  32.736 0.400 . 1 . . . . 37 PRO CB  . 15003 1 
      356 . 1 1 37 37 PRO CG   C 13  26.405 0.400 . 1 . . . . 37 PRO CG  . 15003 1 
      357 . 1 1 37 37 PRO CD   C 13  49.969 0.400 . 1 . . . . 37 PRO CD  . 15003 1 
      358 . 1 1 38 38 ALA H    H  1   8.559 0.020 . 1 . . . . 38 ALA H   . 15003 1 
      359 . 1 1 38 38 ALA HA   H  1   3.964 0.020 . 1 . . . . 38 ALA HA  . 15003 1 
      360 . 1 1 38 38 ALA HB1  H  1   1.272 0.020 . 1 . . . . 38 ALA HB  . 15003 1 
      361 . 1 1 38 38 ALA HB2  H  1   1.272 0.020 . 1 . . . . 38 ALA HB  . 15003 1 
      362 . 1 1 38 38 ALA HB3  H  1   1.272 0.020 . 1 . . . . 38 ALA HB  . 15003 1 
      363 . 1 1 38 38 ALA CA   C 13  54.060 0.400 . 1 . . . . 38 ALA CA  . 15003 1 
      364 . 1 1 38 38 ALA CB   C 13  18.867 0.400 . 1 . . . . 38 ALA CB  . 15003 1 
      365 . 1 1 38 38 ALA N    N 15 124.498 0.400 . 1 . . . . 38 ALA N   . 15003 1 
      366 . 1 1 39 39 ASP H    H  1   8.763 0.020 . 1 . . . . 39 ASP H   . 15003 1 
      367 . 1 1 39 39 ASP HA   H  1   4.280 0.020 . 1 . . . . 39 ASP HA  . 15003 1 
      368 . 1 1 39 39 ASP HB2  H  1   2.972 0.020 . 1 . . . . 39 ASP HB2 . 15003 1 
      369 . 1 1 39 39 ASP HB3  H  1   2.972 0.020 . 1 . . . . 39 ASP HB3 . 15003 1 
      370 . 1 1 39 39 ASP CA   C 13  54.975 0.400 . 1 . . . . 39 ASP CA  . 15003 1 
      371 . 1 1 39 39 ASP CB   C 13  37.499 0.400 . 1 . . . . 39 ASP CB  . 15003 1 
      372 . 1 1 39 39 ASP N    N 15 112.519 0.400 . 1 . . . . 39 ASP N   . 15003 1 
      373 . 1 1 40 40 THR H    H  1   7.368 0.020 . 1 . . . . 40 THR H   . 15003 1 
      374 . 1 1 40 40 THR HA   H  1   3.974 0.020 . 1 . . . . 40 THR HA  . 15003 1 
      375 . 1 1 40 40 THR HB   H  1   3.632 0.020 . 1 . . . . 40 THR HB  . 15003 1 
      376 . 1 1 40 40 THR HG21 H  1   0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1 
      377 . 1 1 40 40 THR HG22 H  1   0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1 
      378 . 1 1 40 40 THR HG23 H  1   0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1 
      379 . 1 1 40 40 THR CA   C 13  65.074 0.400 . 1 . . . . 40 THR CA  . 15003 1 
      380 . 1 1 40 40 THR CB   C 13  70.228 0.400 . 1 . . . . 40 THR CB  . 15003 1 
      381 . 1 1 40 40 THR CG2  C 13  23.489 0.400 . 1 . . . . 40 THR CG2 . 15003 1 
      382 . 1 1 40 40 THR N    N 15 117.334 0.400 . 1 . . . . 40 THR N   . 15003 1 
      383 . 1 1 41 41 ASP H    H  1   8.775 0.020 . 1 . . . . 41 ASP H   . 15003 1 
      384 . 1 1 41 41 ASP HA   H  1   4.680 0.020 . 1 . . . . 41 ASP HA  . 15003 1 
      385 . 1 1 41 41 ASP HB2  H  1   2.777 0.020 . 2 . . . . 41 ASP HB2 . 15003 1 
      386 . 1 1 41 41 ASP HB3  H  1   3.045 0.020 . 2 . . . . 41 ASP HB3 . 15003 1 
      387 . 1 1 41 41 ASP CA   C 13  53.106 0.400 . 1 . . . . 41 ASP CA  . 15003 1 
      388 . 1 1 41 41 ASP CB   C 13  38.956 0.400 . 1 . . . . 41 ASP CB  . 15003 1 
      389 . 1 1 41 41 ASP N    N 15 125.893 0.400 . 1 . . . . 41 ASP N   . 15003 1 
      390 . 1 1 42 42 MET H    H  1   8.573 0.020 . 1 . . . . 42 MET H   . 15003 1 
      391 . 1 1 42 42 MET HA   H  1   4.237 0.020 . 1 . . . . 42 MET HA  . 15003 1 
      392 . 1 1 42 42 MET HB2  H  1   2.040 0.020 . 1 . . . . 42 MET HB2 . 15003 1 
      393 . 1 1 42 42 MET HB3  H  1   2.040 0.020 . 1 . . . . 42 MET HB3 . 15003 1 
      394 . 1 1 42 42 MET HG2  H  1   2.529 0.020 . 2 . . . . 42 MET HG2 . 15003 1 
      395 . 1 1 42 42 MET HG3  H  1   2.739 0.020 . 2 . . . . 42 MET HG3 . 15003 1 
      396 . 1 1 42 42 MET CB   C 13  31.164 0.400 . 1 . . . . 42 MET CB  . 15003 1 
      397 . 1 1 42 42 MET N    N 15 125.770 0.400 . 1 . . . . 42 MET N   . 15003 1 
      398 . 1 1 43 43 GLU H    H  1   8.433 0.020 . 1 . . . . 43 GLU H   . 15003 1 
      399 . 1 1 43 43 GLU HA   H  1   4.146 0.020 . 1 . . . . 43 GLU HA  . 15003 1 
      400 . 1 1 43 43 GLU HB2  H  1   2.112 0.020 . 2 . . . . 43 GLU HB2 . 15003 1 
      401 . 1 1 43 43 GLU HB3  H  1   2.167 0.020 . 2 . . . . 43 GLU HB3 . 15003 1 
      402 . 1 1 43 43 GLU HG2  H  1   2.473 0.020 . 1 . . . . 43 GLU HG2 . 15003 1 
      403 . 1 1 43 43 GLU HG3  H  1   2.473 0.020 . 1 . . . . 43 GLU HG3 . 15003 1 
      404 . 1 1 43 43 GLU CA   C 13  59.786 0.400 . 1 . . . . 43 GLU CA  . 15003 1 
      405 . 1 1 43 43 GLU CG   C 13  34.358 0.400 . 1 . . . . 43 GLU CG  . 15003 1 
      406 . 1 1 43 43 GLU N    N 15 120.298 0.400 . 1 . . . . 43 GLU N   . 15003 1 
      407 . 1 1 44 44 THR H    H  1   7.428 0.020 . 1 . . . . 44 THR H   . 15003 1 
      408 . 1 1 44 44 THR HA   H  1   3.882 0.020 . 1 . . . . 44 THR HA  . 15003 1 
      409 . 1 1 44 44 THR HB   H  1   3.841 0.020 . 1 . . . . 44 THR HB  . 15003 1 
      410 . 1 1 44 44 THR HG21 H  1   1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1 
      411 . 1 1 44 44 THR HG22 H  1   1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1 
      412 . 1 1 44 44 THR HG23 H  1   1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1 
      413 . 1 1 44 44 THR CA   C 13  67.038 0.400 . 1 . . . . 44 THR CA  . 15003 1 
      414 . 1 1 44 44 THR CB   C 13  68.752 0.400 . 1 . . . . 44 THR CB  . 15003 1 
      415 . 1 1 44 44 THR N    N 15 118.140 0.400 . 1 . . . . 44 THR N   . 15003 1 
      416 . 1 1 45 45 LEU H    H  1   8.359 0.020 . 1 . . . . 45 LEU H   . 15003 1 
      417 . 1 1 45 45 LEU HA   H  1   4.665 0.020 . 1 . . . . 45 LEU HA  . 15003 1 
      418 . 1 1 45 45 LEU HB2  H  1   1.592 0.020 . 2 . . . . 45 LEU HB2 . 15003 1 
      419 . 1 1 45 45 LEU HB3  H  1   1.776 0.020 . 2 . . . . 45 LEU HB3 . 15003 1 
      420 . 1 1 45 45 LEU HG   H  1   1.718 0.020 . 1 . . . . 45 LEU HG  . 15003 1 
      421 . 1 1 45 45 LEU HD11 H  1   0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1 
      422 . 1 1 45 45 LEU HD12 H  1   0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1 
      423 . 1 1 45 45 LEU HD13 H  1   0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1 
      424 . 1 1 45 45 LEU HD21 H  1   1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1 
      425 . 1 1 45 45 LEU HD22 H  1   1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1 
      426 . 1 1 45 45 LEU HD23 H  1   1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1 
      427 . 1 1 45 45 LEU CA   C 13  58.897 0.400 . 1 . . . . 45 LEU CA  . 15003 1 
      428 . 1 1 45 45 LEU CB   C 13  41.982 0.400 . 1 . . . . 45 LEU CB  . 15003 1 
      429 . 1 1 45 45 LEU CG   C 13  27.909 0.400 . 1 . . . . 45 LEU CG  . 15003 1 
      430 . 1 1 45 45 LEU CD1  C 13  23.727 0.400 . 1 . . . . 45 LEU CD1 . 15003 1 
      431 . 1 1 45 45 LEU CD2  C 13  23.788 0.400 . 1 . . . . 45 LEU CD2 . 15003 1 
      432 . 1 1 45 45 LEU N    N 15 125.262 0.400 . 1 . . . . 45 LEU N   . 15003 1 
      433 . 1 1 46 46 LYS H    H  1   8.312 0.020 . 1 . . . . 46 LYS H   . 15003 1 
      434 . 1 1 46 46 LYS HA   H  1   3.976 0.020 . 1 . . . . 46 LYS HA  . 15003 1 
      435 . 1 1 46 46 LYS HB2  H  1   1.925 0.020 . 2 . . . . 46 LYS HB2 . 15003 1 
      436 . 1 1 46 46 LYS HB3  H  1   2.080 0.020 . 2 . . . . 46 LYS HB3 . 15003 1 
      437 . 1 1 46 46 LYS HG2  H  1   1.426 0.020 . 2 . . . . 46 LYS HG2 . 15003 1 
      438 . 1 1 46 46 LYS HG3  H  1   1.602 0.020 . 2 . . . . 46 LYS HG3 . 15003 1 
      439 . 1 1 46 46 LYS HD2  H  1   1.597 0.020 . 2 . . . . 46 LYS HD2 . 15003 1 
      440 . 1 1 46 46 LYS HD3  H  1   1.695 0.020 . 2 . . . . 46 LYS HD3 . 15003 1 
      441 . 1 1 46 46 LYS HE2  H  1   2.772 0.020 . 2 . . . . 46 LYS HE2 . 15003 1 
      442 . 1 1 46 46 LYS HE3  H  1   2.947 0.020 . 2 . . . . 46 LYS HE3 . 15003 1 
      443 . 1 1 46 46 LYS CA   C 13  60.661 0.400 . 1 . . . . 46 LYS CA  . 15003 1 
      444 . 1 1 46 46 LYS CB   C 13  33.508 0.400 . 1 . . . . 46 LYS CB  . 15003 1 
      445 . 1 1 46 46 LYS CG   C 13  26.026 0.400 . 1 . . . . 46 LYS CG  . 15003 1 
      446 . 1 1 46 46 LYS CD   C 13  30.111 0.400 . 1 . . . . 46 LYS CD  . 15003 1 
      447 . 1 1 46 46 LYS CE   C 13  42.516 0.400 . 1 . . . . 46 LYS CE  . 15003 1 
      448 . 1 1 46 46 LYS N    N 15 119.008 0.400 . 1 . . . . 46 LYS N   . 15003 1 
      449 . 1 1 47 47 MET H    H  1   7.505 0.020 . 1 . . . . 47 MET H   . 15003 1 
      450 . 1 1 47 47 MET HA   H  1   4.312 0.020 . 1 . . . . 47 MET HA  . 15003 1 
      451 . 1 1 47 47 MET HB2  H  1   2.265 0.020 . 1 . . . . 47 MET HB2 . 15003 1 
      452 . 1 1 47 47 MET HB3  H  1   2.265 0.020 . 1 . . . . 47 MET HB3 . 15003 1 
      453 . 1 1 47 47 MET HG2  H  1   2.649 0.020 . 2 . . . . 47 MET HG2 . 15003 1 
      454 . 1 1 47 47 MET HG3  H  1   2.781 0.020 . 2 . . . . 47 MET HG3 . 15003 1 
      455 . 1 1 47 47 MET CA   C 13  58.741 0.400 . 1 . . . . 47 MET CA  . 15003 1 
      456 . 1 1 47 47 MET CG   C 13  32.651 0.400 . 1 . . . . 47 MET CG  . 15003 1 
      457 . 1 1 47 47 MET N    N 15 118.060 0.400 . 1 . . . . 47 MET N   . 15003 1 
      458 . 1 1 48 48 TYR H    H  1   8.658 0.020 . 1 . . . . 48 TYR H   . 15003 1 
      459 . 1 1 48 48 TYR HA   H  1   4.217 0.020 . 1 . . . . 48 TYR HA  . 15003 1 
      460 . 1 1 48 48 TYR HB2  H  1   3.372 0.020 . 2 . . . . 48 TYR HB2 . 15003 1 
      461 . 1 1 48 48 TYR HB3  H  1   3.464 0.020 . 2 . . . . 48 TYR HB3 . 15003 1 
      462 . 1 1 48 48 TYR HD1  H  1   7.014 0.020 . 1 . . . . 48 TYR HD1 . 15003 1 
      463 . 1 1 48 48 TYR HD2  H  1   7.014 0.020 . 1 . . . . 48 TYR HD2 . 15003 1 
      464 . 1 1 48 48 TYR HE1  H  1   6.630 0.020 . 1 . . . . 48 TYR HE1 . 15003 1 
      465 . 1 1 48 48 TYR HE2  H  1   6.630 0.020 . 1 . . . . 48 TYR HE2 . 15003 1 
      466 . 1 1 48 48 TYR CA   C 13  62.487 0.400 . 1 . . . . 48 TYR CA  . 15003 1 
      467 . 1 1 48 48 TYR CB   C 13  39.019 0.400 . 1 . . . . 48 TYR CB  . 15003 1 
      468 . 1 1 48 48 TYR CD1  C 13 133.258 0.400 . 1 . . . . 48 TYR CD1 . 15003 1 
      469 . 1 1 48 48 TYR CE1  C 13 118.601 0.400 . 1 . . . . 48 TYR CE1 . 15003 1 
      470 . 1 1 48 48 TYR N    N 15 123.686 0.400 . 1 . . . . 48 TYR N   . 15003 1 
      471 . 1 1 49 49 MET H    H  1   9.170 0.020 . 1 . . . . 49 MET H   . 15003 1 
      472 . 1 1 49 49 MET HA   H  1   4.353 0.020 . 1 . . . . 49 MET HA  . 15003 1 
      473 . 1 1 49 49 MET HB2  H  1   2.204 0.020 . 1 . . . . 49 MET HB2 . 15003 1 
      474 . 1 1 49 49 MET HB3  H  1   2.204 0.020 . 1 . . . . 49 MET HB3 . 15003 1 
      475 . 1 1 49 49 MET HG2  H  1   2.941 0.020 . 1 . . . . 49 MET HG2 . 15003 1 
      476 . 1 1 49 49 MET HG3  H  1   2.941 0.020 . 1 . . . . 49 MET HG3 . 15003 1 
      477 . 1 1 49 49 MET CA   C 13  56.963 0.400 . 1 . . . . 49 MET CA  . 15003 1 
      478 . 1 1 49 49 MET CB   C 13  31.664 0.400 . 1 . . . . 49 MET CB  . 15003 1 
      479 . 1 1 49 49 MET CG   C 13  33.523 0.400 . 1 . . . . 49 MET CG  . 15003 1 
      480 . 1 1 49 49 MET N    N 15 117.211 0.400 . 1 . . . . 49 MET N   . 15003 1 
      481 . 1 1 50 50 ALA H    H  1   7.633 0.020 . 1 . . . . 50 ALA H   . 15003 1 
      482 . 1 1 50 50 ALA HA   H  1   4.271 0.020 . 1 . . . . 50 ALA HA  . 15003 1 
      483 . 1 1 50 50 ALA HB1  H  1   1.570 0.020 . 1 . . . . 50 ALA HB  . 15003 1 
      484 . 1 1 50 50 ALA HB2  H  1   1.570 0.020 . 1 . . . . 50 ALA HB  . 15003 1 
      485 . 1 1 50 50 ALA HB3  H  1   1.570 0.020 . 1 . . . . 50 ALA HB  . 15003 1 
      486 . 1 1 50 50 ALA CA   C 13  55.103 0.400 . 1 . . . . 50 ALA CA  . 15003 1 
      487 . 1 1 50 50 ALA CB   C 13  19.174 0.400 . 1 . . . . 50 ALA CB  . 15003 1 
      488 . 1 1 50 50 ALA N    N 15 121.006 0.400 . 1 . . . . 50 ALA N   . 15003 1 
      489 . 1 1 51 51 THR H    H  1   7.434 0.020 . 1 . . . . 51 THR H   . 15003 1 
      490 . 1 1 51 51 THR HA   H  1   4.223 0.020 . 1 . . . . 51 THR HA  . 15003 1 
      491 . 1 1 51 51 THR HB   H  1   4.292 0.020 . 1 . . . . 51 THR HB  . 15003 1 
      492 . 1 1 51 51 THR HG21 H  1   0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1 
      493 . 1 1 51 51 THR HG22 H  1   0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1 
      494 . 1 1 51 51 THR HG23 H  1   0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1 
      495 . 1 1 51 51 THR CA   C 13  62.451 0.400 . 1 . . . . 51 THR CA  . 15003 1 
      496 . 1 1 51 51 THR CB   C 13  62.538 0.400 . 1 . . . . 51 THR CB  . 15003 1 
      497 . 1 1 51 51 THR CG2  C 13  21.767 0.400 . 1 . . . . 51 THR CG2 . 15003 1 
      498 . 1 1 51 51 THR N    N 15 107.770 0.400 . 1 . . . . 51 THR N   . 15003 1 
      499 . 1 1 52 52 TYR H    H  1   7.584 0.020 . 1 . . . . 52 TYR H   . 15003 1 
      500 . 1 1 52 52 TYR HA   H  1   4.215 0.020 . 1 . . . . 52 TYR HA  . 15003 1 
      501 . 1 1 52 52 TYR HB2  H  1   2.565 0.020 . 2 . . . . 52 TYR HB2 . 15003 1 
      502 . 1 1 52 52 TYR HB3  H  1   2.833 0.020 . 2 . . . . 52 TYR HB3 . 15003 1 
      503 . 1 1 52 52 TYR HD1  H  1   6.913 0.020 . 1 . . . . 52 TYR HD1 . 15003 1 
      504 . 1 1 52 52 TYR HD2  H  1   6.913 0.020 . 1 . . . . 52 TYR HD2 . 15003 1 
      505 . 1 1 52 52 TYR HE1  H  1   6.583 0.020 . 1 . . . . 52 TYR HE1 . 15003 1 
      506 . 1 1 52 52 TYR HE2  H  1   6.583 0.020 . 1 . . . . 52 TYR HE2 . 15003 1 
      507 . 1 1 52 52 TYR CA   C 13  59.445 0.400 . 1 . . . . 52 TYR CA  . 15003 1 
      508 . 1 1 52 52 TYR CB   C 13  39.593 0.400 . 1 . . . . 52 TYR CB  . 15003 1 
      509 . 1 1 52 52 TYR CD1  C 13 133.275 0.400 . 1 . . . . 52 TYR CD1 . 15003 1 
      510 . 1 1 52 52 TYR CE1  C 13 117.625 0.400 . 1 . . . . 52 TYR CE1 . 15003 1 
      511 . 1 1 52 52 TYR N    N 15 123.408 0.400 . 1 . . . . 52 TYR N   . 15003 1 
      512 . 1 1 53 53 HIS H    H  1   7.600 0.020 . 1 . . . . 53 HIS H   . 15003 1 
      513 . 1 1 53 53 HIS HA   H  1   4.290 0.020 . 1 . . . . 53 HIS HA  . 15003 1 
      514 . 1 1 53 53 HIS HB2  H  1   3.016 0.020 . 2 . . . . 53 HIS HB2 . 15003 1 
      515 . 1 1 53 53 HIS HB3  H  1   3.193 0.020 . 2 . . . . 53 HIS HB3 . 15003 1 
      516 . 1 1 53 53 HIS HD1  H  1   7.633 0.020 . 1 . . . . 53 HIS HD1 . 15003 1 
      517 . 1 1 53 53 HIS HD2  H  1   7.105 0.020 . 1 . . . . 53 HIS HD2 . 15003 1 
      518 . 1 1 53 53 HIS HE1  H  1   8.515 0.020 . 1 . . . . 53 HIS HE1 . 15003 1 
      519 . 1 1 53 53 HIS CA   C 13  56.995 0.400 . 1 . . . . 53 HIS CA  . 15003 1 
      520 . 1 1 53 53 HIS CB   C 13  30.457 0.400 . 1 . . . . 53 HIS CB  . 15003 1 
      521 . 1 1 53 53 HIS CD2  C 13 119.490 0.400 . 1 . . . . 53 HIS CD2 . 15003 1 
      522 . 1 1 53 53 HIS CE1  C 13 135.637 0.400 . 1 . . . . 53 HIS CE1 . 15003 1 
      523 . 1 1 53 53 HIS N    N 15 125.608 0.400 . 1 . . . . 53 HIS N   . 15003 1 
      524 . 1 1 53 53 HIS ND1  N 15 119.824 0.400 . 1 . . . . 53 HIS ND1 . 15003 1 

   stop_

save_