Content for NMR-STAR saveframe, "shift_set_2"

    save_shift_set_2
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  shift_set_2
   _Assigned_chem_shift_list.Entry_ID                      4361
   _Assigned_chem_shift_list.ID                            2
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

      1   NOESY   1   $sample_1   .   4361   2
      2   COSY    1   $sample_1   .   4361   2
      3   TOCSY   1   $sample_1   .   4361   2
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Ambiguity_set_ID
      _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     .   3   2   1   1   1GL   C1     C   13   99.75    0.084   .   1   .   .   .   .   .   .   .   .   .   4361   2
      2     .   3   2   1   1   1GL   H1     H   1    8.45     0.018   .   1   .   .   .   .   .   .   .   .   .   4361   2
      3     .   3   2   1   1   1GL   C2     C   13   36.31    0.114   .   1   .   .   .   .   .   .   .   .   .   4361   2
      4     .   3   2   1   1   1GL   H21    H   1    4.07     0.027   .   1   .   .   .   .   .   .   .   .   .   4361   2
      5     .   3   2   1   1   1GL   H22    H   1    4.42     0.022   .   1   .   .   .   .   .   .   .   .   .   4361   2
      6     .   3   2   1   1   1GL   C3     C   13   71.04    0.138   .   1   .   .   .   .   .   .   .   .   .   4361   2
      7     .   3   2   1   1   1GL   H3     H   1    7.11     0.025   .   1   .   .   .   .   .   .   .   .   .   4361   2
      8     .   3   2   1   1   1GL   C4     C   13   86.04    0.090   .   1   .   .   .   .   .   .   .   .   .   4361   2
      9     .   3   2   1   1   1GL   H4     H   1    5.43     0.019   .   1   .   .   .   .   .   .   .   .   .   4361   2
      10    .   3   2   1   1   1GL   CME    C   13   65.69    0.080   .   1   .   .   .   .   .   .   .   .   .   4361   2
      11    .   3   2   1   1   1GL   HM41   H   1    4.76     0.013   .   1   .   .   .   .   .   .   .   .   .   4361   2
      12    .   3   2   1   1   1GL   HM42   H   1    4.76     0.013   .   1   .   .   .   .   .   .   .   .   .   4361   2
      13    .   3   2   1   1   1GL   HM43   H   1    4.76     0.013   .   1   .   .   .   .   .   .   .   .   .   4361   2
      14    .   3   2   1   1   1GL   C5     C   13   72.84    0.144   .   1   .   .   .   .   .   .   .   .   .   4361   2
      15    .   3   2   1   1   1GL   H5     H   1    7.31     0.028   .   1   .   .   .   .   .   .   .   .   .   4361   2
      16    .   3   2   1   1   1GL   C6     C   13   21.50    0.107   .   1   .   .   .   .   .   .   .   .   .   4361   2
      17    .   3   2   1   1   1GL   H61    H   1    3.21     0.022   .   1   .   .   .   .   .   .   .   .   .   4361   2
      18    .   3   2   1   1   1GL   H62    H   1    3.21     0.022   .   1   .   .   .   .   .   .   .   .   .   4361   2
      19    .   3   2   1   1   1GL   H63    H   1    3.21     0.022   .   1   .   .   .   .   .   .   .   .   .   4361   2
      20    .   3   2   2   2   2GL   C1     C   13   112.40   0.181   .   1   .   .   .   .   .   .   .   .   .   4361   2
      21    .   3   2   2   2   2GL   H1     H   1    18.13    0.041   .   1   .   .   .   .   .   .   .   .   .   4361   2
      22    .   3   2   2   2   2GL   C2     C   13   44.61    0.134   .   1   .   .   .   .   .   .   .   .   .   4361   2
      23    .   3   2   2   2   2GL   H21    H   1    10.49    0.030   .   1   .   .   .   .   .   .   .   .   .   4361   2
      24    .   3   2   2   2   2GL   H22    H   1    10.64    0.042   .   1   .   .   .   .   .   .   .   .   .   4361   2
      25    .   3   2   2   2   2GL   C3     C   13   76.68    0.185   .   1   .   .   .   .   .   .   .   .   .   4361   2
      26    .   3   2   2   2   2GL   H3     H   1    9.77     0.033   .   1   .   .   .   .   .   .   .   .   .   4361   2
      27    .   3   2   2   2   2GL   C4     C   13   76.79    0.073   .   1   .   .   .   .   .   .   .   .   .   4361   2
      28    .   3   2   2   2   2GL   H4     H   1    9.90     0.018   .   1   .   .   .   .   .   .   .   .   .   4361   2
      29    .   3   2   2   2   2GL   CME    C   13   27.54    0.082   .   1   .   .   .   .   .   .   .   .   .   4361   2
      30    .   3   2   2   2   2GL   HM41   H   1    6.46     0.017   .   1   .   .   .   .   .   .   .   .   .   4361   2
      31    .   3   2   2   2   2GL   HM42   H   1    6.46     0.017   .   1   .   .   .   .   .   .   .   .   .   4361   2
      32    .   3   2   2   2   2GL   HM43   H   1    6.46     0.017   .   1   .   .   .   .   .   .   .   .   .   4361   2
      33    .   3   2   2   2   2GL   C5     C   13   80.49    0.129   .   1   .   .   .   .   .   .   .   .   .   4361   2
      34    .   3   2   2   2   2GL   H5     H   1    11.20    0.031   .   1   .   .   .   .   .   .   .   .   .   4361   2
      35    .   3   2   2   2   2GL   C6     C   13   25.97    0.106   .   1   .   .   .   .   .   .   .   .   .   4361   2
      36    .   3   2   2   2   2GL   H61    H   1    7.48     0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      37    .   3   2   2   2   2GL   H62    H   1    7.48     0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      38    .   3   2   2   2   2GL   H63    H   1    7.48     0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      39    .   3   2   3   3   DXB   H21    H   1    -59.28   0.375   .   1   .   .   .   .   .   .   .   .   .   4361   2
      40    .   3   2   3   3   DXB   H22    H   1    -59.28   0.375   .   1   .   .   .   .   .   .   .   .   .   4361   2
      41    .   3   2   3   3   DXB   H3     H   1    -19.06   0.135   .   1   .   .   .   .   .   .   .   .   .   4361   2
      42    .   3   2   3   3   DXB   H4A    H   1    -8.82    0.111   .   1   .   .   .   .   .   .   .   .   .   4361   2
      43    .   3   2   3   3   DXB   H4E    H   1    -1.41    0.066   .   1   .   .   .   .   .   .   .   .   .   4361   2
      44    .   3   2   3   3   DXB   H5     H   1    32.16    0.057   .   1   .   .   .   .   .   .   .   .   .   4361   2
      45    .   3   2   3   3   DXB   CC7    C   13   36.67    0.331   .   1   .   .   .   .   .   .   .   .   .   4361   2
      46    .   3   2   3   3   DXB   HM71   H   1    26.93    0.084   .   1   .   .   .   .   .   .   .   .   .   4361   2
      47    .   3   2   3   3   DXB   HM72   H   1    26.93    0.084   .   1   .   .   .   .   .   .   .   .   .   4361   2
      48    .   3   2   3   3   DXB   HM73   H   1    26.93    0.084   .   1   .   .   .   .   .   .   .   .   .   4361   2
      49    .   3   2   3   3   DXB   H10    H   1    15.25    0.074   .   1   .   .   .   .   .   .   .   .   .   4361   2
      50    .   3   2   3   3   DXB   C1S    C   13   118.15   0.227   .   1   .   .   .   .   .   .   .   .   .   4361   2
      51    .   3   2   3   3   DXB   HS1    H   1    -11.45   0.056   .   1   .   .   .   .   .   .   .   .   .   4361   2
      52    .   3   2   3   3   DXB   CME    C   13   51.55    0.111   .   1   .   .   .   .   .   .   .   .   .   4361   2
      53    .   3   2   3   3   DXB   HM11   H   1    -5.60    0.028   .   1   .   .   .   .   .   .   .   .   .   4361   2
      54    .   3   2   3   3   DXB   HM12   H   1    -5.60    0.028   .   1   .   .   .   .   .   .   .   .   .   4361   2
      55    .   3   2   3   3   DXB   HM13   H   1    -5.60    0.028   .   1   .   .   .   .   .   .   .   .   .   4361   2
      56    .   3   2   3   3   DXB   C3S    C   13   74.50    0.098   .   1   .   .   .   .   .   .   .   .   .   4361   2
      57    .   3   2   3   3   DXB   HS3    H   1    -3.21    0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      58    .   3   2   3   3   DXB   C4S    C   13   65.69    0.139   .   1   .   .   .   .   .   .   .   .   .   4361   2
      59    .   3   2   3   3   DXB   HS4    H   1    -1.69    0.033   .   1   .   .   .   .   .   .   .   .   .   4361   2
      60    .   3   2   3   3   DXB   C5S    C   13   16.72    0.107   .   1   .   .   .   .   .   .   .   .   .   4361   2
      61    .   3   2   3   3   DXB   HM51   H   1    -3.16    0.021   .   1   .   .   .   .   .   .   .   .   .   4361   2
      62    .   3   2   3   3   DXB   HM52   H   1    -3.16    0.021   .   1   .   .   .   .   .   .   .   .   .   4361   2
      63    .   3   2   3   3   DXB   HM53   H   1    -3.16    0.021   .   1   .   .   .   .   .   .   .   .   .   4361   2
      64    .   3   2   4   4   1AR   C1     C   13   102.98   0.125   .   1   .   .   .   .   .   .   .   .   .   4361   2
      65    .   3   2   4   4   1AR   H1     H   1    14.84    0.027   .   1   .   .   .   .   .   .   .   .   .   4361   2
      66    .   3   2   4   4   1AR   C2     C   13   51.90    0.097   .   1   .   .   .   .   .   .   .   .   .   4361   2
      67    .   3   2   4   4   1AR   H21    H   1    6.98     0.031   .   1   .   .   .   .   .   .   .   .   .   4361   2
      68    .   3   2   4   4   1AR   H22    H   1    6.90     0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      69    .   3   2   4   4   1AR   CC3    C   13   28.47    0.086   .   1   .   .   .   .   .   .   .   .   .   4361   2
      70    .   3   2   4   4   1AR   HM31   H   1    6.03     0.020   .   1   .   .   .   .   .   .   .   .   .   4361   2
      71    .   3   2   4   4   1AR   HM32   H   1    6.03     0.020   .   1   .   .   .   .   .   .   .   .   .   4361   2
      72    .   3   2   4   4   1AR   HM33   H   1    6.03     0.020   .   1   .   .   .   .   .   .   .   .   .   4361   2
      73    .   3   2   4   4   1AR   C4     C   13   87.58    0.124   .   1   .   .   .   .   .   .   .   .   .   4361   2
      74    .   3   2   4   4   1AR   H4     H   1    9.29     0.025   .   1   .   .   .   .   .   .   .   .   .   4361   2
      75    .   3   2   4   4   1AR   CME    C   13   25.89    0.102   .   1   .   .   .   .   .   .   .   .   .   4361   2
      76    .   3   2   4   4   1AR   HM41   H   1    4.78     0.009   .   1   .   .   .   .   .   .   .   .   .   4361   2
      77    .   3   2   4   4   1AR   HM42   H   1    4.78     0.009   .   1   .   .   .   .   .   .   .   .   .   4361   2
      78    .   3   2   4   4   1AR   HM43   H   1    4.78     0.009   .   1   .   .   .   .   .   .   .   .   .   4361   2
      79    .   3   2   4   4   1AR   C5     C   13   76.14    0.172   .   1   .   .   .   .   .   .   .   .   .   4361   2
      80    .   3   2   4   4   1AR   H5     H   1    12.05    0.032   .   1   .   .   .   .   .   .   .   .   .   4361   2
      81    .   3   2   4   4   1AR   C6     C   13   27.73    0.150   .   1   .   .   .   .   .   .   .   .   .   4361   2
      82    .   3   2   4   4   1AR   H61    H   1    8.31     0.025   .   1   .   .   .   .   .   .   .   .   .   4361   2
      83    .   3   2   4   4   1AR   H62    H   1    8.31     0.025   .   1   .   .   .   .   .   .   .   .   .   4361   2
      84    .   3   2   4   4   1AR   H63    H   1    8.31     0.025   .   1   .   .   .   .   .   .   .   .   .   4361   2
      85    .   3   2   5   5   DDA   H1     H   1    45.07    0.160   .   1   .   .   .   .   .   .   .   .   .   4361   2
      86    .   3   2   5   5   DDA   C2     C   13   56.80    0.195   .   1   .   .   .   .   .   .   .   .   .   4361   2
      87    .   3   2   5   5   DDA   H21    H   1    13.46    0.051   .   1   .   .   .   .   .   .   .   .   .   4361   2
      88    .   3   2   5   5   DDA   H22    H   1    23.17    0.516   .   1   .   .   .   .   .   .   .   .   .   4361   2
      89    .   3   2   5   5   DDA   C3     C   13   89.42    0.100   .   1   .   .   .   .   .   .   .   .   .   4361   2
      90    .   3   2   5   5   DDA   H3     H   1    21.82    0.055   .   1   .   .   .   .   .   .   .   .   .   4361   2
      91    .   3   2   5   5   DDA   C4     C   13   90.11    0.137   .   1   .   .   .   .   .   .   .   .   .   4361   2
      92    .   3   2   5   5   DDA   H4     H   1    12.13    0.036   .   1   .   .   .   .   .   .   .   .   .   4361   2
      93    .   3   2   5   5   DDA   HO4    H   1    14.63    0.045   .   1   .   .   .   .   .   .   .   .   .   4361   2
      94    .   3   2   5   5   DDA   C5     C   13   88.35    0.100   .   1   .   .   .   .   .   .   .   .   .   4361   2
      95    .   3   2   5   5   DDA   H5     H   1    22.68    0.058   .   1   .   .   .   .   .   .   .   .   .   4361   2
      96    .   3   2   5   5   DDA   C6     C   13   29.64    0.114   .   1   .   .   .   .   .   .   .   .   .   4361   2
      97    .   3   2   5   5   DDA   H61    H   1    9.64     0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      98    .   3   2   5   5   DDA   H62    H   1    9.64     0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      99    .   3   2   5   5   DDA   H63    H   1    9.64     0.024   .   1   .   .   .   .   .   .   .   .   .   4361   2
      100   .   3   2   6   6   DDA   C4     C   13   84.40    0.150   .   1   .   .   .   .   .   .   .   .   .   4361   2
      101   .   3   2   6   6   DDA   H4     H   1    5.96     0.048   .   1   .   .   .   .   .   .   .   .   .   4361   2
      102   .   3   2   6   6   DDA   C6     C   13   14.66    0.189   .   1   .   .   .   .   .   .   .   .   .   4361   2
      103   .   3   2   6   6   DDA   H61    H   1    -3.84    0.034   .   1   .   .   .   .   .   .   .   .   .   4361   2
      104   .   3   2   6   6   DDA   H62    H   1    -3.84    0.034   .   1   .   .   .   .   .   .   .   .   .   4361   2
      105   .   3   2   6   6   DDA   H63    H   1    -3.84    0.034   .   1   .   .   .   .   .   .   .   .   .   4361   2
   stop_
save_