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                     4362
  _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    $sample_1   .   4362    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.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    96.42     0.095    .   1    .   .   .   .   .   .   .   .   4362    2    
    2      .   3    2    1    1    1GL    H1      H    1     5.22      0.011    .   1    .   .   .   .   .   .   .   .   4362    2    
    3      .   3    2    1    1    1GL    C2      C    13    33.62     0.199    .   1    .   .   .   .   .   .   .   .   4362    2    
    4      .   3    2    1    1    1GL    H21     H    1     1.85      0.025    .   1    .   .   .   .   .   .   .   .   4362    2    
    5      .   3    2    1    1    1GL    H22     H    1     1.57      0.021    .   1    .   .   .   .   .   .   .   .   4362    2    
    6      .   3    2    1    1    1GL    C3      C    13    68.67     0.208    .   1    .   .   .   .   .   .   .   .   4362    2    
    7      .   3    2    1    1    1GL    H3      H    1     4.13      0.024    .   1    .   .   .   .   .   .   .   .   4362    2    
    8      .   3    2    1    1    1GL    C4      C    13    83.86     0.089    .   1    .   .   .   .   .   .   .   .   4362    2    
    9      .   3    2    1    1    1GL    H4      H    1     3.53      0.011    .   1    .   .   .   .   .   .   .   .   4362    2    
    10     .   3    2    1    1    1GL    CME     C    13    64.46     0.063    .   1    .   .   .   .   .   .   .   .   4362    2    
    11     .   3    2    1    1    1GL    HM41    H    1     3.61      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    12     .   3    2    1    1    1GL    HM42    H    1     3.61      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    13     .   3    2    1    1    1GL    HM43    H    1     3.61      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    14     .   3    2    1    1    1GL    C5      C    13    70.16     0.127    .   1    .   .   .   .   .   .   .   .   4362    2    
    15     .   3    2    1    1    1GL    H5      H    1     3.94      0.017    .   1    .   .   .   .   .   .   .   .   4362    2    
    16     .   3    2    1    1    1GL    C6      C    13    19.48     0.094    .   1    .   .   .   .   .   .   .   .   4362    2    
    17     .   3    2    1    1    1GL    H61     H    1     1.32      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    18     .   3    2    1    1    1GL    H62     H    1     1.32      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    19     .   3    2    1    1    1GL    H63     H    1     1.32      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    20     .   3    2    2    2    2GL    C1      C    13    100.21    0.127    .   1    .   .   .   .   .   .   .   .   4362    2    
    21     .   3    2    2    2    2GL    H1      H    1     5.69      0.019    .   1    .   .   .   .   .   .   .   .   4362    2    
    22     .   3    2    2    2    2GL    C2      C    13    36.26     0.199    .   1    .   .   .   .   .   .   .   .   4362    2    
    23     .   3    2    2    2    2GL    H21     H    1     2.13      0.028    .   1    .   .   .   .   .   .   .   .   4362    2    
    24     .   3    2    2    2    2GL    H22     H    1     2.43      0.020    .   1    .   .   .   .   .   .   .   .   4362    2    
    25     .   3    2    2    2    2GL    C3      C    13    70.79     0.197    .   1    .   .   .   .   .   .   .   .   4362    2    
    26     .   3    2    2    2    2GL    H3      H    1     4.39      0.023    .   1    .   .   .   .   .   .   .   .   4362    2    
    27     .   3    2    2    2    2GL    C4      C    13    70.98     0.092    .   1    .   .   .   .   .   .   .   .   4362    2    
    28     .   3    2    2    2    2GL    H4      H    1     5.33      0.011    .   1    .   .   .   .   .   .   .   .   4362    2    
    29     .   3    2    2    2    2GL    CME     C    13    23.43     0.055    .   1    .   .   .   .   .   .   .   .   4362    2    
    30     .   3    2    2    2    2GL    HM41    H    1     2.38      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    31     .   3    2    2    2    2GL    HM42    H    1     2.38      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    32     .   3    2    2    2    2GL    HM43    H    1     2.38      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    33     .   3    2    2    2    2GL    C5      C    13    70.87     0.099    .   1    .   .   .   .   .   .   .   .   4362    2    
    34     .   3    2    2    2    2GL    H5      H    1     4.15      0.017    .   1    .   .   .   .   .   .   .   .   4362    2    
    35     .   3    2    2    2    2GL    C6      C    13    19.61     0.097    .   1    .   .   .   .   .   .   .   .   4362    2    
    36     .   3    2    2    2    2GL    H61     H    1     1.42      0.014    .   1    .   .   .   .   .   .   .   .   4362    2    
    37     .   3    2    2    2    2GL    H62     H    1     1.42      0.014    .   1    .   .   .   .   .   .   .   .   4362    2    
    38     .   3    2    2    2    2GL    H63     H    1     1.42      0.014    .   1    .   .   .   .   .   .   .   .   4362    2    
    39     .   3    2    3    3    DXB    C2      C    13    80.82     0.160    .   1    .   .   .   .   .   .   .   .   4362    2    
    40     .   3    2    3    3    DXB    H21     H    1     4.59      0.022    .   1    .   .   .   .   .   .   .   .   4362    2    
    41     .   3    2    3    3    DXB    H22     H    1     4.59      0.022    .   1    .   .   .   .   .   .   .   .   4362    2    
    42     .   3    2    3    3    DXB    H3      H    1     2.77      0.027    .   1    .   .   .   .   .   .   .   .   4362    2    
    43     .   3    2    3    3    DXB    C4      C    13    30.63     0.153    .   1    .   .   .   .   .   .   .   .   4362    2    
    44     .   3    2    3    3    DXB    H4A     H    1     2.77      0.021    .   2    .   .   .   .   .   .   .   .   4362    2    
    45     .   3    2    3    3    DXB    H4E     H    1     2.57      0.025    .   2    .   .   .   .   .   .   .   .   4362    2    
    46     .   3    2    3    3    DXB    C5      C    13    102.55    0.096    .   1    .   .   .   .   .   .   .   .   4362    2    
    47     .   3    2    3    3    DXB    H5      H    1     6.91      0.012    .   1    .   .   .   .   .   .   .   .   4362    2    
    48     .   3    2    3    3    DXB    CC7     C    13    13.02     0.074    .   1    .   .   .   .   .   .   .   .   4362    2    
    49     .   3    2    3    3    DXB    HM71    H    1     2.60      0.012    .   1    .   .   .   .   .   .   .   .   4362    2    
    50     .   3    2    3    3    DXB    HM72    H    1     2.60      0.012    .   1    .   .   .   .   .   .   .   .   4362    2    
    51     .   3    2    3    3    DXB    HM73    H    1     2.60      0.012    .   1    .   .   .   .   .   .   .   .   4362    2    
    52     .   3    2    3    3    DXB    C10     C    13    114.94    0.083    .   1    .   .   .   .   .   .   .   .   4362    2    
    53     .   3    2    3    3    DXB    H10     H    1     6.61      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    54     .   3    2    3    3    DXB    C1S     C    13    85.15     0.094    .   1    .   .   .   .   .   .   .   .   4362    2    
    55     .   3    2    3    3    DXB    HS1     H    1     4.96      0.011    .   1    .   .   .   .   .   .   .   .   4362    2    
    56     .   3    2    3    3    DXB    CME     C    13    61.48     0.111    .   1    .   .   .   .   .   .   .   .   4362    2    
    57     .   3    2    3    3    DXB    HM11    H    1     3.41      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    58     .   3    2    3    3    DXB    HM12    H    1     3.41      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    59     .   3    2    3    3    DXB    HM13    H    1     3.41      0.010    .   1    .   .   .   .   .   .   .   .   4362    2    
    60     .   3    2    3    3    DXB    C3S     C    13    82.35     0.082    .   1    .   .   .   .   .   .   .   .   4362    2    
    61     .   3    2    3    3    DXB    HS3     H    1     4.19      0.021    .   1    .   .   .   .   .   .   .   .   4362    2    
    62     .   3    2    3    3    DXB    C4S     C    13    71.43     0.102    .   1    .   .   .   .   .   .   .   .   4362    2    
    63     .   3    2    3    3    DXB    HS4     H    1     4.27      0.014    .   1    .   .   .   .   .   .   .   .   4362    2    
    64     .   3    2    3    3    DXB    C5S     C    13    21.53     0.083    .   1    .   .   .   .   .   .   .   .   4362    2    
    65     .   3    2    3    3    DXB    HM51    H    1     1.33      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    66     .   3    2    3    3    DXB    HM52    H    1     1.33      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    67     .   3    2    3    3    DXB    HM53    H    1     1.33      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    68     .   3    2    4    4    1AR    C1      C    13    94.22     0.110    .   1    .   .   .   .   .   .   .   .   4362    2    
    69     .   3    2    4    4    1AR    H1      H    1     5.09      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    70     .   3    2    4    4    1AR    C2      C    13    46.46     0.099    .   1    .   .   .   .   .   .   .   .   4362    2    
    71     .   3    2    4    4    1AR    H21     H    1     2.50      0.027    .   1    .   .   .   .   .   .   .   .   4362    2    
    72     .   3    2    4    4    1AR    H22     H    1     2.16      0.024    .   1    .   .   .   .   .   .   .   .   4362    2    
    73     .   3    2    4    4    1AR    CC3     C    13    23.99     0.093    .   1    .   .   .   .   .   .   .   .   4362    2    
    74     .   3    2    4    4    1AR    HM31    H    1     1.55      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    75     .   3    2    4    4    1AR    HM32    H    1     1.55      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    76     .   3    2    4    4    1AR    HM33    H    1     1.55      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    77     .   3    2    4    4    1AR    C4      C    13    82.73     0.099    .   1    .   .   .   .   .   .   .   .   4362    2    
    78     .   3    2    4    4    1AR    H4      H    1     5.14      0.019    .   1    .   .   .   .   .   .   .   .   4362    2    
    79     .   3    2    4    4    1AR    CME     C    13    23.33     0.089    .   1    .   .   .   .   .   .   .   .   4362    2    
    80     .   3    2    4    4    1AR    HM41    H    1     2.30      0.009    .   1    .   .   .   .   .   .   .   .   4362    2    
    81     .   3    2    4    4    1AR    HM42    H    1     2.30      0.009    .   1    .   .   .   .   .   .   .   .   4362    2    
    82     .   3    2    4    4    1AR    HM43    H    1     2.30      0.009    .   1    .   .   .   .   .   .   .   .   4362    2    
    83     .   3    2    4    4    1AR    C5      C    13    68.94     0.110    .   1    .   .   .   .   .   .   .   .   4362    2    
    84     .   3    2    4    4    1AR    H5      H    1     4.32      0.020    .   1    .   .   .   .   .   .   .   .   4362    2    
    85     .   3    2    4    4    1AR    C6      C    13    21.00     0.123    .   1    .   .   .   .   .   .   .   .   4362    2    
    86     .   3    2    4    4    1AR    H61     H    1     1.70      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    87     .   3    2    4    4    1AR    H62     H    1     1.70      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    88     .   3    2    4    4    1AR    H63     H    1     1.70      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    89     .   3    2    5    5    DDA    C1      C    13    101.18    0.109    .   1    .   .   .   .   .   .   .   .   4362    2    
    90     .   3    2    5    5    DDA    H1      H    1     2.56      0.022    .   1    .   .   .   .   .   .   .   .   4362    2    
    91     .   3    2    5    5    DDA    C2      C    13    38.06     0.175    .   1    .   .   .   .   .   .   .   .   4362    2    
    92     .   3    2    5    5    DDA    H21     H    1     1.11      0.025    .   1    .   .   .   .   .   .   .   .   4362    2    
    93     .   3    2    5    5    DDA    H22     H    1     2.08      0.022    .   1    .   .   .   .   .   .   .   .   4362    2    
    94     .   3    2    5    5    DDA    C3      C    13    74.51     0.093    .   1    .   .   .   .   .   .   .   .   4362    2    
    95     .   3    2    5    5    DDA    H3      H    1     3.65      0.020    .   1    .   .   .   .   .   .   .   .   4362    2    
    96     .   3    2    5    5    DDA    C4      C    13    77.98     0.136    .   1    .   .   .   .   .   .   .   .   4362    2    
    97     .   3    2    5    5    DDA    H4      H    1     3.01      0.018    .   1    .   .   .   .   .   .   .   .   4362    2    
    98     .   3    2    5    5    DDA    HO4     H    1     3.82      0.020    .   1    .   .   .   .   .   .   .   .   4362    2    
    99     .   3    2    5    5    DDA    C5      C    13    73.56     0.135    .   1    .   .   .   .   .   .   .   .   4362    2    
    100    .   3    2    5    5    DDA    H5      H    1     3.25      0.023    .   1    .   .   .   .   .   .   .   .   4362    2    
    101    .   3    2    5    5    DDA    C6      C    13    20.01     0.100    .   1    .   .   .   .   .   .   .   .   4362    2    
    102    .   3    2    5    5    DDA    H61     H    1     1.26      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    103    .   3    2    5    5    DDA    H62     H    1     1.26      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    104    .   3    2    5    5    DDA    H63     H    1     1.26      0.015    .   1    .   .   .   .   .   .   .   .   4362    2    
    105    .   3    2    6    6    DDA    C1      C    13    104.44    0.171    .   1    .   .   .   .   .   .   .   .   4362    2    
    106    .   3    2    6    6    DDA    H1      H    1     4.86      0.019    .   1    .   .   .   .   .   .   .   .   4362    2    
    107    .   3    2    6    6    DDA    C2      C    13    40.13     0.133    .   1    .   .   .   .   .   .   .   .   4362    2    
    108    .   3    2    6    6    DDA    H21     H    1     1.78      0.029    .   1    .   .   .   .   .   .   .   .   4362    2    
    109    .   3    2    6    6    DDA    H22     H    1     2.40      0.022    .   1    .   .   .   .   .   .   .   .   4362    2    
    110    .   3    2    6    6    DDA    C3      C    13    85.15     0.098    .   1    .   .   .   .   .   .   .   .   4362    2    
    111    .   3    2    6    6    DDA    H3      H    1     2.25      0.024    .   1    .   .   .   .   .   .   .   .   4362    2    
    112    .   3    2    6    6    DDA    C4      C    13    77.68     0.112    .   1    .   .   .   .   .   .   .   .   4362    2    
    113    .   3    2    6    6    DDA    H4      H    1     2.95      0.019    .   1    .   .   .   .   .   .   .   .   4362    2    
    114    .   3    2    6    6    DDA    C5      C    13    74.34     0.162    .   1    .   .   .   .   .   .   .   .   4362    2    
    115    .   3    2    6    6    DDA    H5      H    1     2.88      0.023    .   1    .   .   .   .   .   .   .   .   4362    2    
    116    .   3    2    6    6    DDA    C6      C    13    20.01     0.100    .   1    .   .   .   .   .   .   .   .   4362    2    
    117    .   3    2    6    6    DDA    H61     H    1     1.26      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    118    .   3    2    6    6    DDA    H62     H    1     1.26      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
    119    .   3    2    6    6    DDA    H63     H    1     1.26      0.013    .   1    .   .   .   .   .   .   .   .   4362    2    
  stop_

save_