######################### # 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 bmse001237 _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 . . . . . . bmse001237 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 . . bmse001237 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 . . . bmse001237 1 2 . . . bmse001237 1 3 . . . bmse001237 1 4 . . . bmse001237 1 5 . . . bmse001237 1 6 . . . bmse001237 1 7 . . . bmse001237 1 8 . . . bmse001237 1 9 . . . bmse001237 1 10 . . . bmse001237 1 11 . . . bmse001237 1 12 . . . bmse001237 1 13 . . . bmse001237 1 14 . . . bmse001237 1 15 . . . bmse001237 1 16 . . . bmse001237 1 17 . . . bmse001237 1 18 . . . bmse001237 1 19 . . . bmse001237 1 20 . . . bmse001237 1 21 . . . bmse001237 1 22 . . . bmse001237 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 . 5.36 . 'relative height' bmse001237 1 2 . 1.47 . 'relative height' bmse001237 1 3 . 2.49 . 'relative height' bmse001237 1 4 . 0.85 . 'relative height' bmse001237 1 5 . 2.55 . 'relative height' bmse001237 1 6 . 0.73 . 'relative height' bmse001237 1 7 . 2.72 . 'relative height' bmse001237 1 8 . 0.92 . 'relative height' bmse001237 1 9 . 2.60 . 'relative height' bmse001237 1 10 . 1.18 . 'relative height' bmse001237 1 11 . 1.04 . 'relative height' bmse001237 1 12 . 0.73 . 'relative height' bmse001237 1 13 . 0.36 . 'relative height' bmse001237 1 14 . 1.14 . 'relative height' bmse001237 1 15 . 3.42 . 'relative height' bmse001237 1 16 . 3.50 . 'relative height' bmse001237 1 17 . 1.22 . 'relative height' bmse001237 1 18 . 15.00 . 'relative height' bmse001237 1 19 . 3.55 . 'relative height' bmse001237 1 20 . 1.89 . 'relative height' bmse001237 1 21 . 7.68 . 'relative height' bmse001237 1 22 . 3.74 . 'relative height' bmse001237 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 8.5198 . . . . . . . . . . . bmse001237 1 2 . 1 8.5109 . . . . . . . . . . . bmse001237 1 3 . 1 8.3660 . . . . . . . . . . . bmse001237 1 4 . 1 8.3569 . . . . . . . . . . . bmse001237 1 5 . 1 8.3496 . . . . . . . . . . . bmse001237 1 6 . 1 8.3405 . . . . . . . . . . . bmse001237 1 7 . 1 7.2788 . . . . . . . . . . . bmse001237 1 8 . 1 7.2701 . . . . . . . . . . . bmse001237 1 9 . 1 7.2623 . . . . . . . . . . . bmse001237 1 10 . 1 4.8640 . . . . . . . . . . . bmse001237 1 11 . 1 4.8627 . . . . . . . . . . . bmse001237 1 12 . 1 4.8618 . . . . . . . . . . . bmse001237 1 13 . 1 4.8588 . . . . . . . . . . . bmse001237 1 14 . 1 4.4271 . . . . . . . . . . . bmse001237 1 15 . 1 4.4130 . . . . . . . . . . . bmse001237 1 16 . 1 4.3986 . . . . . . . . . . . bmse001237 1 17 . 1 4.3842 . . . . . . . . . . . bmse001237 1 18 . 1 2.5989 . . . . . . . . . . . bmse001237 1 19 . 1 1.4053 . . . . . . . . . . . bmse001237 1 20 . 1 1.3967 . . . . . . . . . . . bmse001237 1 21 . 1 1.3911 . . . . . . . . . . . bmse001237 1 22 . 1 1.3766 . . . . . . . . . . . bmse001237 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 bmse001237 _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 . . . . . . bmse001237 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 . . bmse001237 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 . . . bmse001237 2 2 . . . bmse001237 2 3 . . . bmse001237 2 4 . . . bmse001237 2 5 . . . bmse001237 2 6 . . . bmse001237 2 7 . . . bmse001237 2 8 . . . bmse001237 2 9 . . . bmse001237 2 10 . . . bmse001237 2 11 . . . bmse001237 2 12 . . . bmse001237 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 . 6.14 . 'relative height' bmse001237 2 2 . 6.44 . 'relative height' bmse001237 2 3 . 6.88 . 'relative height' bmse001237 2 4 . 6.01 . 'relative height' bmse001237 2 5 . 11.56 . 'relative height' bmse001237 2 6 . 11.03 . 'relative height' bmse001237 2 7 . 11.49 . 'relative height' bmse001237 2 8 . 6.22 . 'relative height' bmse001237 2 9 . 7.42 . 'relative height' bmse001237 2 10 . 9.19 . 'relative height' bmse001237 2 11 . 9.84 . 'relative height' bmse001237 2 12 . 15.00 . 'relative height' bmse001237 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 . 1 179.5176 . . . . . . . . . . . bmse001237 2 2 . 1 175.0495 . . . . . . . . . . . bmse001237 2 3 . 1 166.7200 . . . . . . . . . . . bmse001237 2 4 . 1 150.7287 . . . . . . . . . . . bmse001237 2 5 . 1 149.9042 . . . . . . . . . . . bmse001237 2 6 . 1 138.5734 . . . . . . . . . . . bmse001237 2 7 . 1 124.1482 . . . . . . . . . . . bmse001237 2 8 . 1 122.5572 . . . . . . . . . . . bmse001237 2 9 . 1 121.2743 . . . . . . . . . . . bmse001237 2 10 . 1 49.2583 . . . . . . . . . . . bmse001237 2 11 . 1 26.8943 . . . . . . . . . . . bmse001237 2 12 . 1 17.0692 . . . . . . . . . . . bmse001237 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 . . . . 10 179.5176 1 . 1 1 1 BMET001237 C10 . . . bmse001237 2 2 1 . . . . 12 175.0495 1 . 1 1 1 BMET001237 C12 . . . bmse001237 2 3 1 . . . . 7 166.7200 1 . 1 1 1 BMET001237 C7 . . . bmse001237 2 4 1 . . . . 6 150.7287 1 . 1 1 1 BMET001237 C6 . . . bmse001237 2 5 1 . . . . 11 149.9042 1 . 1 1 1 BMET001237 C11 . . . bmse001237 2 6 1 . . . . 5 138.5734 1 . 1 1 1 BMET001237 C5 . . . bmse001237 2 7 1 . . . . 4 124.1482 1 . 1 1 1 BMET001237 C4 . . . bmse001237 2 8 1 . . . . 8 122.5572 1 . 1 1 1 BMET001237 C8 . . . bmse001237 2 9 1 . . . . 9 121.2743 1 . 1 1 1 BMET001237 C9 . . . bmse001237 2 10 1 . . . . 3 49.2583 1 . 1 1 1 BMET001237 C3 . . . bmse001237 2 11 1 . . . . 2 26.8943 1 . 1 1 1 BMET001237 C2 . . . bmse001237 2 12 1 . . . . 1 17.0692 1 . 1 1 1 BMET001237 C1 . . . bmse001237 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 bmse001237 _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 . . . . . . bmse001237 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 . . bmse001237 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 . . . bmse001237 3 2 . . . bmse001237 3 3 . . . bmse001237 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 . 14.53 . 'relative height' bmse001237 3 2 . 14.55 . 'relative height' bmse001237 3 3 . 15.00 . 'relative height' bmse001237 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 . 1 150.1514 . . . . . . . . . . . bmse001237 3 2 . 1 138.8163 . . . . . . . . . . . bmse001237 3 3 . 1 124.3924 . . . . . . . . . . . bmse001237 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 bmse001237 _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 . . . . . . bmse001237 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 . . bmse001237 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 . . . bmse001237 4 2 . . . bmse001237 4 3 . . . bmse001237 4 4 . . . bmse001237 4 5 . . . bmse001237 4 6 . . . bmse001237 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 . 14.62 . 'relative height' bmse001237 4 2 . 14.61 . 'relative height' bmse001237 4 3 . 15.00 . 'relative height' bmse001237 4 4 . -4.92 . 'relative height' bmse001237 4 5 . 2.14 . 'relative height' bmse001237 4 6 . 5.81 . 'relative height' bmse001237 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 . 1 150.1052 . . . . . . . . . . . bmse001237 4 2 . 1 138.7692 . . . . . . . . . . . bmse001237 4 3 . 1 124.3458 . . . . . . . . . . . bmse001237 4 4 . 1 49.4556 . . . . . . . . . . . bmse001237 4 5 . 1 27.0954 . . . . . . . . . . . bmse001237 4 6 . 1 17.2674 . . . . . . . . . . . bmse001237 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 bmse001237 _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 . . . . . . bmse001237 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001237 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 . . bmse001237 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 . . . bmse001237 5 2 . . . bmse001237 5 3 . . . bmse001237 5 4 . . . bmse001237 5 5 . . . bmse001237 5 6 . . . bmse001237 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 . 122073.01 . 'relative height' bmse001237 5 2 . 88336.61 . 'relative height' bmse001237 5 3 . 63328.95 . 'relative height' bmse001237 5 4 . 293454.88 . 'relative height' bmse001237 5 5 . 193512.81 . 'relative height' bmse001237 5 6 . 157607.35 . 'relative height' bmse001237 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 . 1 150.1286 . . . . . . . . . . . bmse001237 5 1 . 2 8.5257 . . . . . . . . . . . bmse001237 5 2 . 1 138.5967 . . . . . . . . . . . bmse001237 5 2 . 2 8.3671 . . . . . . . . . . . bmse001237 5 3 . 1 124.2885 . . . . . . . . . . . bmse001237 5 3 . 2 7.2766 . . . . . . . . . . . bmse001237 5 4 . 1 49.2457 . . . . . . . . . . . bmse001237 5 4 . 2 4.4085 . . . . . . . . . . . bmse001237 5 5 . 1 26.8695 . . . . . . . . . . . bmse001237 5 5 . 2 2.6064 . . . . . . . . . . . bmse001237 5 6 . 1 17.0742 . . . . . . . . . . . bmse001237 5 6 . 2 1.3969 . . . . . . . . . . . bmse001237 5 stop_ save_