######################### # 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 bmse001204 _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 . . . . . . bmse001204 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 . . bmse001204 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 . . . bmse001204 1 2 . . . bmse001204 1 3 . . . bmse001204 1 4 . . . bmse001204 1 5 . . . bmse001204 1 6 . . . bmse001204 1 7 . . . bmse001204 1 8 . . . bmse001204 1 9 . . . bmse001204 1 10 . . . bmse001204 1 11 . . . bmse001204 1 12 . . . bmse001204 1 13 . . . bmse001204 1 14 . . . bmse001204 1 15 . . . bmse001204 1 16 . . . bmse001204 1 17 . . . bmse001204 1 18 . . . bmse001204 1 19 . . . bmse001204 1 20 . . . bmse001204 1 21 . . . bmse001204 1 22 . . . bmse001204 1 23 . . . bmse001204 1 24 . . . bmse001204 1 25 . . . bmse001204 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 . 0.56 . 'relative height' bmse001204 1 2 . 0.57 . 'relative height' bmse001204 1 3 . 0.83 . 'relative height' bmse001204 1 4 . 0.79 . 'relative height' bmse001204 1 5 . 0.81 . 'relative height' bmse001204 1 6 . 0.77 . 'relative height' bmse001204 1 7 . 0.46 . 'relative height' bmse001204 1 8 . 0.44 . 'relative height' bmse001204 1 9 . 0.79 . 'relative height' bmse001204 1 10 . 0.97 . 'relative height' bmse001204 1 11 . 0.83 . 'relative height' bmse001204 1 12 . 0.86 . 'relative height' bmse001204 1 13 . 0.93 . 'relative height' bmse001204 1 14 . 0.95 . 'relative height' bmse001204 1 15 . 0.85 . 'relative height' bmse001204 1 16 . 1.16 . 'relative height' bmse001204 1 17 . 15.00 . 'relative height' bmse001204 1 18 . 0.95 . 'relative height' bmse001204 1 19 . 1.85 . 'relative height' bmse001204 1 20 . 1.59 . 'relative height' bmse001204 1 21 . 0.83 . 'relative height' bmse001204 1 22 . 0.66 . 'relative height' bmse001204 1 23 . 0.40 . 'relative height' bmse001204 1 24 . 1.19 . 'relative height' bmse001204 1 25 . 1.14 . 'relative height' bmse001204 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 6.1774 . . . . . . . . . . . bmse001204 1 2 . 1 6.1715 . . . . . . . . . . . bmse001204 1 3 . 1 6.1661 . . . . . . . . . . . bmse001204 1 4 . 1 6.1602 . . . . . . . . . . . bmse001204 1 5 . 1 6.1326 . . . . . . . . . . . bmse001204 1 6 . 1 6.1270 . . . . . . . . . . . bmse001204 1 7 . 1 6.1214 . . . . . . . . . . . bmse001204 1 8 . 1 6.1157 . . . . . . . . . . . bmse001204 1 9 . 1 2.8388 . . . . . . . . . . . bmse001204 1 10 . 1 2.7895 . . . . . . . . . . . bmse001204 1 11 . 1 1.8961 . . . . . . . . . . . bmse001204 1 12 . 1 1.8907 . . . . . . . . . . . bmse001204 1 13 . 1 1.8721 . . . . . . . . . . . bmse001204 1 14 . 1 1.8667 . . . . . . . . . . . bmse001204 1 15 . 1 1.5777 . . . . . . . . . . . bmse001204 1 16 . 1 1.5602 . . . . . . . . . . . bmse001204 1 17 . 1 1.4791 . . . . . . . . . . . bmse001204 1 18 . 1 1.4702 . . . . . . . . . . . bmse001204 1 19 . 1 1.4660 . . . . . . . . . . . bmse001204 1 20 . 1 1.4588 . . . . . . . . . . . bmse001204 1 21 . 1 1.4563 . . . . . . . . . . . bmse001204 1 22 . 1 1.4505 . . . . . . . . . . . bmse001204 1 23 . 1 1.4470 . . . . . . . . . . . bmse001204 1 24 . 1 1.4418 . . . . . . . . . . . bmse001204 1 25 . 1 1.4347 . . . . . . . . . . . bmse001204 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 bmse001204 _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 . . . . . . bmse001204 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 . . bmse001204 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 . . . bmse001204 2 2 . . . bmse001204 2 3 . . . bmse001204 2 4 . . . bmse001204 2 5 . . . bmse001204 2 6 . . . bmse001204 2 7 . . . bmse001204 2 8 . . . bmse001204 2 9 . . . bmse001204 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 . 2.12 . 'relative height' bmse001204 2 2 . 4.18 . 'relative height' bmse001204 2 3 . 2.95 . 'relative height' bmse001204 2 4 . 4.84 . 'relative height' bmse001204 2 5 . 3.09 . 'relative height' bmse001204 2 6 . 5.59 . 'relative height' bmse001204 2 7 . 2.79 . 'relative height' bmse001204 2 8 . 6.01 . 'relative height' bmse001204 2 9 . 5.32 . 'relative height' bmse001204 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 . 1 183.8741 . . . . . . . . . . . bmse001204 2 2 . 1 137.9311 . . . . . . . . . . . bmse001204 2 3 . 1 135.4435 . . . . . . . . . . . bmse001204 2 4 . 1 50.7543 . . . . . . . . . . . bmse001204 2 5 . 1 49.9348 . . . . . . . . . . . bmse001204 2 6 . 1 46.8921 . . . . . . . . . . . bmse001204 2 7 . 1 42.5706 . . . . . . . . . . . bmse001204 2 8 . 1 37.6426 . . . . . . . . . . . bmse001204 2 9 . 1 26.4656 . . . . . . . . . . . bmse001204 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 . . . . 11 183.8741 1 . 1 1 1 BMET001204 C11 . . . bmse001204 2 2 1 . . . . 8 137.9311 1 . 1 1 1 BMET001204 C8 . . . bmse001204 2 3 1 . . . . 9 135.4435 1 . 1 1 1 BMET001204 C9 . . . bmse001204 2 4 1 . . . . 4 50.7543 1 . 1 1 1 BMET001204 C4 . . . bmse001204 2 5 1 . . . . 3 49.9348 1 . 1 1 1 BMET001204 C3 . . . bmse001204 2 6 1 . . . . 7 46.8921 1 . 1 1 1 BMET001204 C7 . . . bmse001204 2 7 1 . . . . 5 42.5706 1 . 1 1 1 BMET001204 C5 . . . bmse001204 2 8 1 . . . . 6 37.6426 1 . 1 1 1 BMET001204 C6 . . . bmse001204 2 9 1 . . . . 10 26.4656 1 . 1 1 1 BMET001204 C10 . . . bmse001204 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 bmse001204 _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 . . . . . . bmse001204 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 . . bmse001204 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 . . . bmse001204 3 2 . . . bmse001204 3 3 . . . bmse001204 3 4 . . . bmse001204 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 . 11.18 . 'relative height' bmse001204 3 2 . 11.67 . 'relative height' bmse001204 3 3 . 14.53 . 'relative height' bmse001204 3 4 . 15.00 . 'relative height' bmse001204 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 . 1 137.9221 . . . . . . . . . . . bmse001204 3 2 . 1 135.4362 . . . . . . . . . . . bmse001204 3 3 . 1 50.7415 . . . . . . . . . . . bmse001204 3 4 . 1 42.5612 . . . . . . . . . . . bmse001204 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 bmse001204 _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 . . . . . . bmse001204 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 . . bmse001204 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 . . . bmse001204 4 2 . . . bmse001204 4 3 . . . bmse001204 4 4 . . . bmse001204 4 5 . . . bmse001204 4 6 . . . bmse001204 4 7 . . . bmse001204 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 . 8.42 . 'relative height' bmse001204 4 2 . 8.39 . 'relative height' bmse001204 4 3 . 11.10 . 'relative height' bmse001204 4 4 . -13.47 . 'relative height' bmse001204 4 5 . 11.28 . 'relative height' bmse001204 4 6 . -15.00 . 'relative height' bmse001204 4 7 . 8.12 . 'relative height' bmse001204 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 . 1 137.9464 . . . . . . . . . . . bmse001204 4 2 . 1 135.4606 . . . . . . . . . . . bmse001204 4 3 . 1 50.7659 . . . . . . . . . . . bmse001204 4 4 . 1 46.9069 . . . . . . . . . . . bmse001204 4 5 . 1 42.5855 . . . . . . . . . . . bmse001204 4 6 . 1 37.6570 . . . . . . . . . . . bmse001204 4 7 . 1 26.4785 . . . . . . . . . . . bmse001204 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 bmse001204 _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 . . . . . . bmse001204 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001204 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 . . bmse001204 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 . . . bmse001204 5 2 . . . bmse001204 5 3 . . . bmse001204 5 4 . . . bmse001204 5 5 . . . bmse001204 5 6 . . . bmse001204 5 7 . . . bmse001204 5 8 . . . bmse001204 5 9 . . . bmse001204 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 . 90237.66 . 'relative height' bmse001204 5 2 . 124633.14 . 'relative height' bmse001204 5 3 . 181575.58 . 'relative height' bmse001204 5 4 . 154161.01 . 'relative height' bmse001204 5 5 . 162735.26 . 'relative height' bmse001204 5 6 . 169180.01 . 'relative height' bmse001204 5 7 . 119589.66 . 'relative height' bmse001204 5 8 . 121090.06 . 'relative height' bmse001204 5 9 . 343008.67 . 'relative height' bmse001204 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 . 1 137.9570 . . . . . . . . . . . bmse001204 5 1 . 2 6.1696 . . . . . . . . . . . bmse001204 5 2 . 1 135.2661 . . . . . . . . . . . bmse001204 5 2 . 2 6.1204 . . . . . . . . . . . bmse001204 5 3 . 1 50.6427 . . . . . . . . . . . bmse001204 5 3 . 2 2.7809 . . . . . . . . . . . bmse001204 5 4 . 1 42.4619 . . . . . . . . . . . bmse001204 5 4 . 2 2.8339 . . . . . . . . . . . bmse001204 5 5 . 1 46.8120 . . . . . . . . . . . bmse001204 5 5 . 2 1.4611 . . . . . . . . . . . bmse001204 5 6 . 1 46.8120 . . . . . . . . . . . bmse001204 5 6 . 2 1.5670 . . . . . . . . . . . bmse001204 5 7 . 1 37.5924 . . . . . . . . . . . bmse001204 5 7 . 2 1.4523 . . . . . . . . . . . bmse001204 5 8 . 1 37.5275 . . . . . . . . . . . bmse001204 5 8 . 2 1.8804 . . . . . . . . . . . bmse001204 5 9 . 1 26.5549 . . . . . . . . . . . bmse001204 5 9 . 2 1.4832 . . . . . . . . . . . bmse001204 5 stop_ save_