Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"

    save_assigned_chem_shift_list_2
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list_2
  _Assigned_chem_shift_list.Entry_ID                     15629
  _Assigned_chem_shift_list.ID                           2
  _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            0.02
  _Assigned_chem_shift_list.Chem_shift_13C_err           0.25
  _Assigned_chem_shift_list.Chem_shift_15N_err           0.1
  _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 conformer B PvdI-Ga(III).'
  _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     '2D 1H-15N HSQC'       .   .   .   15629    2    
    3     'Off-resonance ROESY'  .   .   .   15629    2    
    7     '3D HNCO'              .   .   .   15629    2    
    9     '3D HCCH-COSY'         .   .   .   15629    2    
    10    '3D HCCH-TOCSY'        .   .   .   15629    2    
    13    '2D 1H-1H NOESY'       .   .   .   15629    2    
    17    '2D 1H-1H TOCSY'       .   .   .   15629    2    
  stop_

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

    2    $XEASY   .   .   15629    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      .   2    1    1    1    CHR    H       H    1     9.72      0.02    .   .    .   .   .   .   0    SUC    H       .   15629    2    
    2      .   2    1    1    1    CHR    HA      H    1     2.81      0.02    .   .    .   .   .   .   0    SUC    HA      .   15629    2    
    3      .   2    1    1    1    CHR    HB      H    1     2.81      0.02    .   .    .   .   .   .   0    SUC    HB      .   15629    2    
    4      .   2    1    1    1    CHR    CA      C    13    31.40     0.25    .   .    .   .   .   .   0    SUC    CA      .   15629    2    
    5      .   2    1    1    1    CHR    CB      C    13    30.30     0.25    .   .    .   .   .   .   0    SUC    CB      .   15629    2    
    6      .   2    1    1    1    CHR    C       C    13    179.30    0.25    .   .    .   .   .   .   0    SUC    C       .   15629    2    
    7      .   2    1    1    1    CHR    N       N    15    117.95    0.10    .   .    .   .   .   .   0    SUC    N       .   15629    2    
    8      .   2    1    1    1    CHR    H4      H    1     6.70      0.02    .   .    .   .   .   .   0    CHR    H4      .   15629    2    
    9      .   2    1    1    1    CHR    H5      H    1     7.72      0.02    .   .    .   .   .   .   0    CHR    H5      .   15629    2    
    10     .   2    1    1    1    CHR    H8      H    1     6.99      0.02    .   .    .   .   .   .   0    CHR    H8      .   15629    2    
    11     .   2    1    1    1    CHR    H11     H    1     5.83      0.02    .   .    .   .   .   .   0    CHR    H11     .   15629    2    
    12     .   2    1    1    1    CHR    H121    H    1     2.63      0.02    .   .    .   .   .   .   0    CHR    H121    .   15629    2    
    13     .   2    1    1    1    CHR    H122    H    1     2.43      0.02    .   .    .   .   .   .   0    CHR    H122    .   15629    2    
    14     .   2    1    1    1    CHR    H131    H    1     3.68      0.02    .   .    .   .   .   .   0    CHR    H131    .   15629    2    
    15     .   2    1    1    1    CHR    H132    H    1     3.44      0.02    .   .    .   .   .   .   0    CHR    H132    .   15629    2    
    16     .   2    1    1    1    CHR    C11     C    13    57.40     0.25    .   .    .   .   .   .   0    CHR    C11     .   15629    2    
    17     .   2    1    1    1    CHR    C12     C    13    23.10     0.25    .   .    .   .   .   .   0    CHR    C12     .   15629    2    
    18     .   2    1    1    1    CHR    C13     C    13    36.20     0.25    .   .    .   .   .   .   0    CHR    C13     .   15629    2    
    19     .   2    1    2    2    SER    H       H    1     9.91      0.02    .   1    .   .   .   .   1    SER    H       .   15629    2    
    20     .   2    1    2    2    SER    HA      H    1     4.22      0.02    .   1    .   .   .   .   1    SER    HA      .   15629    2    
    21     .   2    1    2    2    SER    HB2     H    1     4.06      0.02    .   2    .   .   .   .   1    SER    HB2     .   15629    2    
    22     .   2    1    2    2    SER    HB3     H    1     4.06      0.02    .   2    .   .   .   .   1    SER    HB3     .   15629    2    
    23     .   2    1    2    2    SER    CA      C    13    60.20     0.25    .   1    .   .   .   .   1    SER    CA      .   15629    2    
    24     .   2    1    2    2    SER    CB      C    13    61.90     0.25    .   1    .   .   .   .   1    SER    CB      .   15629    2    
    25     .   2    1    2    2    SER    C       C    13    175.70    0.25    .   1    .   .   .   .   1    SER    C       .   15629    2    
    26     .   2    1    2    2    SER    N       N    15    118.61    0.10    .   1    .   .   .   .   1    SER    N       .   15629    2    
    27     .   2    1    3    3    ARG    H       H    1     8.18      0.02    .   1    .   .   .   .   2    ARG    H       .   15629    2    
    28     .   2    1    3    3    ARG    HA      H    1     4.26      0.02    .   1    .   .   .   .   2    ARG    HA      .   15629    2    
    29     .   2    1    3    3    ARG    HB2     H    1     1.81      0.02    .   2    .   .   .   .   2    ARG    HB2     .   15629    2    
    30     .   2    1    3    3    ARG    HB3     H    1     1.81      0.02    .   2    .   .   .   .   2    ARG    HB3     .   15629    2    
    31     .   2    1    3    3    ARG    HG2     H    1     0.92      0.02    .   2    .   .   .   .   2    ARG    HG2     .   15629    2    
    32     .   2    1    3    3    ARG    HG3     H    1     0.66      0.02    .   2    .   .   .   .   2    ARG    HG3     .   15629    2    
    33     .   2    1    3    3    ARG    HD2     H    1     2.58      0.02    .   2    .   .   .   .   2    ARG    HD2     .   15629    2    
    34     .   2    1    3    3    ARG    HD3     H    1     2.19      0.02    .   2    .   .   .   .   2    ARG    HD3     .   15629    2    
    35     .   2    1    3    3    ARG    HE      H    1     6.55      0.02    .   1    .   .   .   .   2    ARG    HE      .   15629    2    
    36     .   2    1    3    3    ARG    CA      C    13    55.70     0.25    .   1    .   .   .   .   2    ARG    CA      .   15629    2    
    37     .   2    1    3    3    ARG    CB      C    13    29.80     0.25    .   1    .   .   .   .   2    ARG    CB      .   15629    2    
    38     .   2    1    3    3    ARG    CG      C    13    26.50     0.25    .   1    .   .   .   .   2    ARG    CG      .   15629    2    
    39     .   2    1    3    3    ARG    CD      C    13    41.70     0.25    .   1    .   .   .   .   2    ARG    CD      .   15629    2    
    40     .   2    1    3    3    ARG    CZ      C    13    180.80    0.25    .   1    .   .   .   .   2    ARG    CZ      .   15629    2    
    41     .   2    1    3    3    ARG    C       C    13    177.60    0.25    .   1    .   .   .   .   2    ARG    C       .   15629    2    
    42     .   2    1    3    3    ARG    N       N    15    117.63    0.10    .   1    .   .   .   .   2    ARG    N       .   15629    2    
    43     .   2    1    3    3    ARG    NE      N    15    83.93     0.10    .   1    .   .   .   .   2    ARG    NE      .   15629    2    
    44     .   2    1    4    4    SER    H       H    1     8.12      0.02    .   1    .   .   .   .   3    SER    H       .   15629    2    
    45     .   2    1    4    4    SER    HA      H    1     4.05      0.02    .   1    .   .   .   .   3    SER    HA      .   15629    2    
    46     .   2    1    4    4    SER    HB2     H    1     3.91      0.02    .   2    .   .   .   .   3    SER    HB2     .   15629    2    
    47     .   2    1    4    4    SER    HB3     H    1     3.91      0.02    .   2    .   .   .   .   3    SER    HB3     .   15629    2    
    48     .   2    1    4    4    SER    CA      C    13    59.60     0.25    .   1    .   .   .   .   3    SER    CA      .   15629    2    
    49     .   2    1    4    4    SER    CB      C    13    61.50     0.25    .   1    .   .   .   .   3    SER    CB      .   15629    2    
    50     .   2    1    4    4    SER    C       C    13    175.20    0.25    .   1    .   .   .   .   3    SER    C       .   15629    2    
    51     .   2    1    4    4    SER    N       N    15    114.04    0.10    .   1    .   .   .   .   3    SER    N       .   15629    2    
    52     .   2    1    5    5    OHO    H       H    1     7.61      0.02    .   .    .   .   .   .   4    OHO    H       .   15629    2    
    53     .   2    1    5    5    OHO    HA      H    1     4.30      0.02    .   .    .   .   .   .   4    OHO    HA      .   15629    2    
    54     .   2    1    5    5    OHO    HB2     H    1     1.77      0.02    .   .    .   .   .   .   4    OHO    HB2     .   15629    2    
    55     .   2    1    5    5    OHO    HB3     H    1     1.77      0.02    .   .    .   .   .   .   4    OHO    HB3     .   15629    2    
    56     .   2    1    5    5    OHO    HG2     H    1     2.00      0.02    .   .    .   .   .   .   4    OHO    HG2     .   15629    2    
    57     .   2    1    5    5    OHO    HG3     H    1     1.42      0.02    .   .    .   .   .   .   4    OHO    HG3     .   15629    2    
    58     .   2    1    5    5    OHO    HD2     H    1     3.68      0.02    .   .    .   .   .   .   4    OHO    HD2     .   15629    2    
    59     .   2    1    5    5    OHO    HD3     H    1     3.62      0.02    .   .    .   .   .   .   4    OHO    HD3     .   15629    2    
    60     .   2    1    5    5    OHO    HZ      H    1     7.90      0.02    .   .    .   .   .   .   4    OHO    HZ      .   15629    2    
    61     .   2    1    5    5    OHO    CA      C    13    55.20     0.25    .   .    .   .   .   .   4    OHO    CA      .   15629    2    
    62     .   2    1    5    5    OHO    CB      C    13    28.20     0.25    .   .    .   .   .   .   4    OHO    CB      .   15629    2    
    63     .   2    1    5    5    OHO    CG      C    13    23.80     0.25    .   .    .   .   .   .   4    OHO    CG      .   15629    2    
    64     .   2    1    5    5    OHO    CD      C    13    51.30     0.25    .   .    .   .   .   .   4    OHO    CD      .   15629    2    
    65     .   2    1    5    5    OHO    C       C    13    177.40    0.25    .   .    .   .   .   .   4    OHO    C       .   15629    2    
    66     .   2    1    5    5    OHO    N       N    15    117.64    0.10    .   .    .   .   .   .   4    OHO    N       .   15629    2    
    67     .   2    1    6    6    LYS    H       H    1     8.73      0.02    .   1    .   .   .   .   5    LYS    H       .   15629    2    
    68     .   2    1    6    6    LYS    HA      H    1     4.09      0.02    .   1    .   .   .   .   5    LYS    HA      .   15629    2    
    69     .   2    1    6    6    LYS    HB2     H    1     1.89      0.02    .   2    .   .   .   .   5    LYS    HB2     .   15629    2    
    70     .   2    1    6    6    LYS    HB3     H    1     1.81      0.02    .   2    .   .   .   .   5    LYS    HB3     .   15629    2    
    71     .   2    1    6    6    LYS    HG2     H    1     1.30      0.02    .   2    .   .   .   .   5    LYS    HG2     .   15629    2    
    72     .   2    1    6    6    LYS    HG3     H    1     1.30      0.02    .   2    .   .   .   .   5    LYS    HG3     .   15629    2    
    73     .   2    1    6    6    LYS    HD2     H    1     1.65      0.02    .   2    .   .   .   .   5    LYS    HD2     .   15629    2    
    74     .   2    1    6    6    LYS    HD3     H    1     1.59      0.02    .   2    .   .   .   .   5    LYS    HD3     .   15629    2    
    75     .   2    1    6    6    LYS    HE2     H    1     3.48      0.02    .   2    .   .   .   .   5    LYS    HE2     .   15629    2    
    76     .   2    1    6    6    LYS    HE3     H    1     3.03      0.02    .   2    .   .   .   .   5    LYS    HE3     .   15629    2    
    77     .   2    1    6    6    LYS    HZ1     H    1     7.59      0.02    .   1    .   .   .   .   5    LYS    HZ      .   15629    2    
    78     .   2    1    6    6    LYS    HZ2     H    1     7.59      0.02    .   1    .   .   .   .   5    LYS    HZ      .   15629    2    
    79     .   2    1    6    6    LYS    HZ3     H    1     7.59      0.02    .   1    .   .   .   .   5    LYS    HZ      .   15629    2    
    80     .   2    1    6    6    LYS    CA      C    13    55.90     0.25    .   1    .   .   .   .   5    LYS    CA      .   15629    2    
    81     .   2    1    6    6    LYS    CB      C    13    31.10     0.25    .   1    .   .   .   .   5    LYS    CB      .   15629    2    
    82     .   2    1    6    6    LYS    CG      C    13    23.30     0.25    .   1    .   .   .   .   5    LYS    CG      .   15629    2    
    83     .   2    1    6    6    LYS    CD      C    13    28.20     0.25    .   1    .   .   .   .   5    LYS    CD      .   15629    2    
    84     .   2    1    6    6    LYS    CE      C    13    40.60     0.25    .   1    .   .   .   .   5    LYS    CE      .   15629    2    
    85     .   2    1    6    6    LYS    N       N    15    123.26    0.10    .   1    .   .   .   .   5    LYS    N       .   15629    2    
    86     .   2    1    6    6    LYS    NZ      N    15    118.45    0.10    .   1    .   .   .   .   5    LYS    NZ      .   15629    2    
    87     .   2    1    7    7    OHO    H       H    1     8.61      0.02    .   .    .   .   .   .   6    OHO    H       .   15629    2    
    88     .   2    1    7    7    OHO    HA      H    1     4.29      0.02    .   .    .   .   .   .   6    OHO    HA      .   15629    2    
    89     .   2    1    7    7    OHO    HB2     H    1     1.92      0.02    .   .    .   .   .   .   6    OHO    HB2     .   15629    2    
    90     .   2    1    7    7    OHO    HB3     H    1     1.92      0.02    .   .    .   .   .   .   6    OHO    HB3     .   15629    2    
    91     .   2    1    7    7    OHO    HG2     H    1     1.40      0.02    .   .    .   .   .   .   6    OHO    HG2     .   15629    2    
    92     .   2    1    7    7    OHO    HG3     H    1     1.40      0.02    .   .    .   .   .   .   6    OHO    HG3     .   15629    2    
    93     .   2    1    7    7    OHO    HD2     H    1     3.67      0.02    .   .    .   .   .   .   6    OHO    HD2     .   15629    2    
    94     .   2    1    7    7    OHO    HD3     H    1     3.62      0.02    .   .    .   .   .   .   6    OHO    HD3     .   15629    2    
    95     .   2    1    7    7    OHO    HZ      H    1     7.88      0.02    .   .    .   .   .   .   6    OHO    HZ      .   15629    2    
    96     .   2    1    7    7    OHO    CA      C    13    55.30     0.25    .   .    .   .   .   .   6    OHO    CA      .   15629    2    
    97     .   2    1    7    7    OHO    CB      C    13    28.20     0.25    .   .    .   .   .   .   6    OHO    CB      .   15629    2    
    98     .   2    1    7    7    OHO    CG      C    13    26.10     0.25    .   .    .   .   .   .   6    OHO    CG      .   15629    2    
    99     .   2    1    7    7    OHO    CD      C    13    52.30     0.25    .   .    .   .   .   .   6    OHO    CD      .   15629    2    
    100    .   2    1    7    7    OHO    C       C    13    177.50    0.25    .   .    .   .   .   .   6    OHO    C       .   15629    2    
    101    .   2    1    8    8    THR    H       H    1     7.75      0.02    .   1    .   .   .   .   7    THR    H       .   15629    2    
    102    .   2    1    8    8    THR    HA      H    1     4.40      0.02    .   1    .   .   .   .   7    THR    HA      .   15629    2    
    103    .   2    1    8    8    THR    HB      H    1     4.55      0.02    .   1    .   .   .   .   7    THR    HB      .   15629    2    
    104    .   2    1    8    8    THR    HG1     H    1     6.17      0.02    .   1    .   .   .   .   7    THR    HG1     .   15629    2    
    105    .   2    1    8    8    THR    HG21    H    1     1.30      0.02    .   .    .   .   .   .   7    THR    HG2     .   15629    2    
    106    .   2    1    8    8    THR    HG22    H    1     1.30      0.02    .   .    .   .   .   .   7    THR    HG2     .   15629    2    
    107    .   2    1    8    8    THR    HG23    H    1     1.30      0.02    .   .    .   .   .   .   7    THR    HG2     .   15629    2    
    108    .   2    1    8    8    THR    CA      C    13    61.30     0.25    .   1    .   .   .   .   7    THR    CA      .   15629    2    
    109    .   2    1    8    8    THR    CB      C    13    67.80     0.25    .   1    .   .   .   .   7    THR    CB      .   15629    2    
    110    .   2    1    8    8    THR    CG2     C    13    20.80     0.25    .   1    .   .   .   .   7    THR    CG2     .   15629    2    
    111    .   2    1    8    8    THR    C       C    13    175.20    0.25    .   1    .   .   .   .   7    THR    C       .   15629    2    
    112    .   2    1    8    8    THR    N       N    15    109.73    0.10    .   1    .   .   .   .   7    THR    N       .   15629    2    
    113    .   2    1    9    9    THR    H       H    1     7.87      0.02    .   1    .   .   .   .   8    THR    H       .   15629    2    
    114    .   2    1    9    9    THR    HA      H    1     4.36      0.02    .   1    .   .   .   .   8    THR    HA      .   15629    2    
    115    .   2    1    9    9    THR    HB      H    1     4.46      0.02    .   1    .   .   .   .   8    THR    HB      .   15629    2    
    116    .   2    1    9    9    THR    HG1     H    1     5.85      0.02    .   1    .   .   .   .   8    THR    HG1     .   15629    2    
    117    .   2    1    9    9    THR    HG21    H    1     1.25      0.02    .   .    .   .   .   .   8    THR    HG2     .   15629    2    
    118    .   2    1    9    9    THR    HG22    H    1     1.25      0.02    .   .    .   .   .   .   8    THR    HG2     .   15629    2    
    119    .   2    1    9    9    THR    HG23    H    1     1.25      0.02    .   .    .   .   .   .   8    THR    HG2     .   15629    2    
    120    .   2    1    9    9    THR    CA      C    13    60.10     0.25    .   1    .   .   .   .   8    THR    CA      .   15629    2    
    121    .   2    1    9    9    THR    CB      C    13    67.50     0.25    .   1    .   .   .   .   8    THR    CB      .   15629    2    
    122    .   2    1    9    9    THR    CG2     C    13    20.60     0.25    .   1    .   .   .   .   8    THR    CG2     .   15629    2    
    123    .   2    1    9    9    THR    C       C    13    174.70    0.25    .   1    .   .   .   .   8    THR    C       .   15629    2    
    124    .   2    1    9    9    THR    N       N    15    110.59    0.10    .   1    .   .   .   .   8    THR    N       .   15629    2    
  stop_

save_