######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H_set01 _Spectral_peak_list.Entry_ID bmse001259 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 'Full H' . . 16.03 ppm . . . . . . bmse001259 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001259 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001259 1 2 . . . bmse001259 1 3 . . . bmse001259 1 4 . . . bmse001259 1 5 . . . bmse001259 1 6 . . . bmse001259 1 7 . . . bmse001259 1 8 . . . bmse001259 1 9 . . . bmse001259 1 10 . . . bmse001259 1 11 . . . bmse001259 1 12 . . . bmse001259 1 13 . . . bmse001259 1 14 . . . bmse001259 1 15 . . . bmse001259 1 16 . . . bmse001259 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 1607.02 . 'relative height' bmse001259 1 2 . 1773.36 . 'relative height' bmse001259 1 3 . 622.24 . 'relative height' bmse001259 1 4 . 757.20 . 'relative height' bmse001259 1 5 . 567.07 . 'relative height' bmse001259 1 6 . 859.11 . 'relative height' bmse001259 1 7 . 517.09 . 'relative height' bmse001259 1 8 . 978.48 . 'relative height' bmse001259 1 9 . 698.04 . 'relative height' bmse001259 1 10 . 713.90 . 'relative height' bmse001259 1 11 . 789.26 . 'relative height' bmse001259 1 12 . 966.97 . 'relative height' bmse001259 1 13 . 5815.97 . 'relative height' bmse001259 1 14 . 148.17 . 'relative height' bmse001259 1 15 . 356.89 . 'relative height' bmse001259 1 16 . 494.07 . 'relative height' bmse001259 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 12.1450 . . . . . . . . . . . bmse001259 1 2 . 1 12.0334 . . . . . . . . . . . bmse001259 1 3 . 1 7.8484 . . . . . . . . . . . bmse001259 1 4 . 1 7.8335 . . . . . . . . . . . bmse001259 1 5 . 1 7.7147 . . . . . . . . . . . bmse001259 1 6 . 1 7.6985 . . . . . . . . . . . bmse001259 1 7 . 1 7.6829 . . . . . . . . . . . bmse001259 1 8 . 1 7.6672 . . . . . . . . . . . bmse001259 1 9 . 1 7.3245 . . . . . . . . . . . bmse001259 1 10 . 1 7.3072 . . . . . . . . . . . bmse001259 1 11 . 1 7.3045 . . . . . . . . . . . bmse001259 1 12 . 1 7.1182 . . . . . . . . . . . bmse001259 1 13 . 1 2.4965 . . . . . . . . . . . bmse001259 1 14 . 1 2.4792 . . . . . . . . . . . bmse001259 1 15 . 1 1.6346 . . . . . . . . . . . bmse001259 1 16 . 1 1.2892 . . . . . . . . . . . bmse001259 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_13C_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_13C_set01 _Spectral_peak_list.Entry_ID bmse001259 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '1D 13C' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 248.61 ppm . . . . . . bmse001259 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001259 2 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001259 2 2 . . . bmse001259 2 3 . . . bmse001259 2 4 . . . bmse001259 2 5 . . . bmse001259 2 6 . . . bmse001259 2 7 . . . bmse001259 2 8 . . . bmse001259 2 9 . . . bmse001259 2 10 . . . bmse001259 2 11 . . . bmse001259 2 12 . . . bmse001259 2 13 . . . bmse001259 2 14 . . . bmse001259 2 15 . . . bmse001259 2 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 0.71 . 'relative height' bmse001259 2 2 . 0.66 . 'relative height' bmse001259 2 3 . 0.99 . 'relative height' bmse001259 2 4 . 0.94 . 'relative height' bmse001259 2 5 . 0.94 . 'relative height' bmse001259 2 6 . 1.95 . 'relative height' bmse001259 2 7 . 0.70 . 'relative height' bmse001259 2 8 . 0.71 . 'relative height' bmse001259 2 9 . 1.83 . 'relative height' bmse001259 2 10 . 1.96 . 'relative height' bmse001259 2 11 . 1.80 . 'relative height' bmse001259 2 12 . 1.91 . 'relative height' bmse001259 2 13 . 0.68 . 'relative height' bmse001259 2 14 . 0.62 . 'relative height' bmse001259 2 15 . 1.42 . 'relative height' bmse001259 2 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 192.4695 . . . . . . . . . . . bmse001259 2 2 . 1 181.9362 . . . . . . . . . . . bmse001259 2 3 . 1 162.6641 . . . . . . . . . . . bmse001259 2 4 . 1 162.3688 . . . . . . . . . . . bmse001259 2 5 . 1 149.3302 . . . . . . . . . . . bmse001259 2 6 . 1 136.9392 . . . . . . . . . . . bmse001259 2 7 . 1 133.5757 . . . . . . . . . . . bmse001259 2 8 . 1 133.2005 . . . . . . . . . . . bmse001259 2 9 . 1 124.5397 . . . . . . . . . . . bmse001259 2 10 . 1 124.3429 . . . . . . . . . . . bmse001259 2 11 . 1 121.3404 . . . . . . . . . . . bmse001259 2 12 . 1 119.9117 . . . . . . . . . . . bmse001259 2 13 . 1 115.8140 . . . . . . . . . . . bmse001259 2 14 . 1 113.6733 . . . . . . . . . . . bmse001259 2 15 . 1 22.2693 . . . . . . . . . . . bmse001259 2 stop_ loop_ _Assigned_spectral_transition.Spectral_transition_ID _Assigned_spectral_transition.Spectral_dim_ID _Assigned_spectral_transition.Contribution_fractional_val _Assigned_spectral_transition.Peak_ID _Assigned_spectral_transition.Set_ID _Assigned_spectral_transition.Magnetization_linkage_ID _Assigned_spectral_transition.Assembly_atom_ID _Assigned_spectral_transition.Val _Assigned_spectral_transition.Assigned_chem_shift_list_ID _Assigned_spectral_transition.Atom_chem_shift_ID _Assigned_spectral_transition.Entity_assembly_ID _Assigned_spectral_transition.Entity_ID _Assigned_spectral_transition.Comp_index_ID _Assigned_spectral_transition.Comp_ID _Assigned_spectral_transition.Atom_ID _Assigned_spectral_transition.Figure_of_merit _Assigned_spectral_transition.Resonance_ID _Assigned_spectral_transition.Details _Assigned_spectral_transition.Entry_ID _Assigned_spectral_transition.Spectral_peak_list_ID 1 1 . . . . 14 192.4695 1 . 1 1 1 BMET001259 C14 . . . bmse001259 2 2 1 . . . . 15 181.9362 1 . 1 1 1 BMET001259 C15 . . . bmse001259 2 3 1 . . . . 11 162.6641 1 . 1 1 1 BMET001259 C11 . . . bmse001259 2 4 1 . . . . 10 162.3688 1 . 1 1 1 BMET001259 C10 . . . bmse001259 2 5 1 . . . . 7 149.3302 1 . 1 1 1 BMET001259 C7 . . . bmse001259 2 6 1 . . . . 2 136.9392 1 . 1 1 1 BMET001259 C2 . . . bmse001259 2 7 1 . . . . 8 133.5757 1 . 1 1 1 BMET001259 C8 . . . bmse001259 2 8 1 . . . . 9 133.2005 1 . 1 1 1 BMET001259 C9 . . . bmse001259 2 9 1 . . . . 4 124.5397 1 . 1 1 1 BMET001259 C4 . . . bmse001259 2 10 1 . . . . 6 124.3429 1 . 1 1 1 BMET001259 C6 . . . bmse001259 2 11 1 . . . . 5 121.3404 1 . 1 1 1 BMET001259 C5 . . . bmse001259 2 12 1 . . . . 3 119.9117 1 . 1 1 1 BMET001259 C3 . . . bmse001259 2 13 1 . . . . 12 115.8140 1 . 1 1 1 BMET001259 C12 . . . bmse001259 2 14 1 . . . . 13 113.6733 1 . 1 1 1 BMET001259 C13 . . . bmse001259 2 15 1 . . . . 1 22.2693 1 . 1 1 1 BMET001259 C1 . . . bmse001259 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Entry_ID bmse001259 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '1D DEPT90' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001259 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001259 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001259 3 2 . . . bmse001259 3 3 . . . bmse001259 3 4 . . . bmse001259 3 5 . . . bmse001259 3 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 13.21 . 'relative height' bmse001259 3 2 . 13.25 . 'relative height' bmse001259 3 3 . 15.00 . 'relative height' bmse001259 3 4 . 13.85 . 'relative height' bmse001259 3 5 . 13.75 . 'relative height' bmse001259 3 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 136.9172 . . . . . . . . . . . bmse001259 3 2 . 1 124.5155 . . . . . . . . . . . bmse001259 3 3 . 1 124.3193 . . . . . . . . . . . bmse001259 3 4 . 1 121.3189 . . . . . . . . . . . bmse001259 3 5 . 1 119.8885 . . . . . . . . . . . bmse001259 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Entry_ID bmse001259 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '1D DEPT135' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001259 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001259 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001259 4 2 . . . bmse001259 4 3 . . . bmse001259 4 4 . . . bmse001259 4 5 . . . bmse001259 4 6 . . . bmse001259 4 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 12.06 . 'relative height' bmse001259 4 2 . 8.60 . 'relative height' bmse001259 4 3 . 8.00 . 'relative height' bmse001259 4 4 . 15.00 . 'relative height' bmse001259 4 5 . 14.87 . 'relative height' bmse001259 4 6 . 14.37 . 'relative height' bmse001259 4 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 136.9277 . . . . . . . . . . . bmse001259 4 2 . 1 124.5299 . . . . . . . . . . . bmse001259 4 3 . 1 124.3333 . . . . . . . . . . . bmse001259 4 4 . 1 121.3319 . . . . . . . . . . . bmse001259 4 5 . 1 119.9012 . . . . . . . . . . . bmse001259 4 6 . 1 22.2567 . . . . . . . . . . . bmse001259 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_2D_1H-13C_HSQC_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_2D_1H-13C_HSQC_set01 _Spectral_peak_list.Entry_ID bmse001259 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C, F2: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 165.64 ppm . . . . . . bmse001259 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001259 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001259 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001259 5 2 . . . bmse001259 5 3 . . . bmse001259 5 4 . . . bmse001259 5 5 . . . bmse001259 5 6 . . . bmse001259 5 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 84491.84 . 'relative height' bmse001259 5 2 . 169772.51 . 'relative height' bmse001259 5 3 . 148311.44 . 'relative height' bmse001259 5 4 . 127773.58 . 'relative height' bmse001259 5 5 . 125528.01 . 'relative height' bmse001259 5 6 . 522221.73 . 'relative height' bmse001259 5 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 136.7870 . . . . . . . . . . . bmse001259 5 1 . 2 7.6662 . . . . . . . . . . . bmse001259 5 2 . 1 124.6451 . . . . . . . . . . . bmse001259 5 2 . 2 7.2812 . . . . . . . . . . . bmse001259 5 3 . 1 124.4691 . . . . . . . . . . . bmse001259 5 3 . 2 7.0819 . . . . . . . . . . . bmse001259 5 4 . 1 121.3603 . . . . . . . . . . . bmse001259 5 4 . 2 7.6285 . . . . . . . . . . . bmse001259 5 5 . 1 120.0112 . . . . . . . . . . . bmse001259 5 5 . 2 7.8036 . . . . . . . . . . . bmse001259 5 6 . 1 22.3524 . . . . . . . . . . . bmse001259 5 6 . 2 2.4535 . . . . . . . . . . . bmse001259 5 stop_ save_