######################### # 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 bmse001297 _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 . . . . . . bmse001297 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 . . bmse001297 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 . . . bmse001297 1 2 . . . bmse001297 1 3 . . . bmse001297 1 4 . . . bmse001297 1 5 . . . bmse001297 1 6 . . . bmse001297 1 7 . . . bmse001297 1 8 . . . bmse001297 1 9 . . . bmse001297 1 10 . . . bmse001297 1 11 . . . bmse001297 1 12 . . . bmse001297 1 13 . . . bmse001297 1 14 . . . bmse001297 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 . 4.366925 . 'relative height' bmse001297 1 2 . 4.374299 . 'relative height' bmse001297 1 3 . 1.705824 . 'relative height' bmse001297 1 4 . 1.457243 . 'relative height' bmse001297 1 5 . 1.472525 . 'relative height' bmse001297 1 6 . 1.295182 . 'relative height' bmse001297 1 7 . 1.539005 . 'relative height' bmse001297 1 8 . 1.501327 . 'relative height' bmse001297 1 9 . 2.413875 . 'relative height' bmse001297 1 10 . 2.3555 . 'relative height' bmse001297 1 11 . 2.460069 . 'relative height' bmse001297 1 12 . 2.342836 . 'relative height' bmse001297 1 13 . 15.0 . 'relative height' bmse001297 1 14 . 8.096205 . 'relative height' bmse001297 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 12.027074 . . . . . . . . . . . bmse001297 1 2 . 1 11.949127 . . . . . . . . . . . bmse001297 1 3 . 1 11.375447 . . . . . . . . . . . bmse001297 1 4 . 1 7.399206 . . . . . . . . . . . bmse001297 1 5 . 1 7.397003 . . . . . . . . . . . bmse001297 1 6 . 1 7.09358 . . . . . . . . . . . bmse001297 1 7 . 1 7.091981 . . . . . . . . . . . bmse001297 1 8 . 1 7.090765 . . . . . . . . . . . bmse001297 1 9 . 1 7.052213 . . . . . . . . . . . bmse001297 1 10 . 1 7.04746 . . . . . . . . . . . bmse001297 1 11 . 1 6.548112 . . . . . . . . . . . bmse001297 1 12 . 1 6.543311 . . . . . . . . . . . bmse001297 1 13 . 1 3.377238 . . . . . . . . . . . bmse001297 1 14 . 1 2.37624 . . . . . . . . . . . bmse001297 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 bmse001297 _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 . . . . . . bmse001297 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 . . bmse001297 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 . . . bmse001297 2 2 . . . bmse001297 2 3 . . . bmse001297 2 4 . . . bmse001297 2 5 . . . bmse001297 2 6 . . . bmse001297 2 7 . . . bmse001297 2 8 . . . bmse001297 2 9 . . . bmse001297 2 10 . . . bmse001297 2 11 . . . bmse001297 2 12 . . . bmse001297 2 13 . . . bmse001297 2 14 . . . bmse001297 2 15 . . . bmse001297 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 . 0.3882126 . 'relative height' bmse001297 2 2 . 0.3756935 . 'relative height' bmse001297 2 3 . 0.4710087 . 'relative height' bmse001297 2 4 . 0.5826387 . 'relative height' bmse001297 2 5 . 0.5032717 . 'relative height' bmse001297 2 6 . 0.4006559 . 'relative height' bmse001297 2 7 . 0.41548 . 'relative height' bmse001297 2 8 . 0.4322026 . 'relative height' bmse001297 2 9 . 0.5708012 . 'relative height' bmse001297 2 10 . 0.6161246 . 'relative height' bmse001297 2 11 . 0.4259237 . 'relative height' bmse001297 2 12 . 0.4068223 . 'relative height' bmse001297 2 13 . 0.6474308 . 'relative height' bmse001297 2 14 . 0.5923457 . 'relative height' bmse001297 2 15 . 0.8156003 . 'relative height' bmse001297 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 . 1 189.608688 . . . . . . . . . . . bmse001297 2 2 . 1 181.18779 . . . . . . . . . . . bmse001297 2 3 . 1 165.540726 . . . . . . . . . . . bmse001297 2 4 . 1 164.419601 . . . . . . . . . . . bmse001297 2 5 . 1 161.379608 . . . . . . . . . . . bmse001297 2 6 . 1 148.194443 . . . . . . . . . . . bmse001297 2 7 . 1 134.965088 . . . . . . . . . . . bmse001297 2 8 . 1 132.665466 . . . . . . . . . . . bmse001297 2 9 . 1 124.067154 . . . . . . . . . . . bmse001297 2 10 . 1 120.419762 . . . . . . . . . . . bmse001297 2 11 . 1 113.225319 . . . . . . . . . . . bmse001297 2 12 . 1 108.840004 . . . . . . . . . . . bmse001297 2 13 . 1 108.739128 . . . . . . . . . . . bmse001297 2 14 . 1 107.869133 . . . . . . . . . . . bmse001297 2 15 . 1 21.517323 . . . . . . . . . . . bmse001297 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 . . . . 15 189.608688 1 . 1 1 1 BMET001297 C15 . . . bmse001297 2 2 1 . . . . 14 181.18779 1 . 1 1 1 BMET001297 C14 . . . bmse001297 2 3 1 . . . . 7 165.540726 1 . 1 1 1 BMET001297 C7 . . . bmse001297 2 4 1 . . . . 11 164.419601 1 . 1 1 1 BMET001297 C11 . . . bmse001297 2 5 1 . . . . 10 161.379608 1 . 1 1 1 BMET001297 C10 . . . bmse001297 2 6 1 . . . . 6 148.194443 1 . 1 1 1 BMET001297 C6 . . . bmse001297 2 7 1 . . . . 9 134.965088 1 . 1 1 1 BMET001297 C9 . . . bmse001297 2 8 1 . . . . 8 132.665466 1 . 1 1 1 BMET001297 C8 . . . bmse001297 2 9 1 . . . . 3 124.067154 1 . 1 1 1 BMET001297 C3 . . . bmse001297 2 10 1 . . . . 2 120.419762 1 . 1 1 1 BMET001297 C2 . . . bmse001297 2 11 1 . . . . 12 113.225319 1 . 1 1 1 BMET001297 C12 . . . bmse001297 2 12 1 . . . . 4 108.840004 1 . 1 1 1 BMET001297 C4 . . . bmse001297 2 13 1 . . . . 13 108.739128 1 . 1 1 1 BMET001297 C13 . . . bmse001297 2 14 1 . . . . 5 107.869133 1 . 1 1 1 BMET001297 C5 . . . bmse001297 2 15 1 . . . . 1 21.517323 1 . 1 1 1 BMET001297 C1 . . . bmse001297 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 bmse001297 _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 . . . . . . bmse001297 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 . . bmse001297 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 . . . bmse001297 3 2 . . . bmse001297 3 3 . . . bmse001297 3 4 . . . bmse001297 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 . 13.49769 . 'relative height' bmse001297 3 2 . 13.75029 . 'relative height' bmse001297 3 3 . 15.0 . 'relative height' bmse001297 3 4 . 13.66313 . 'relative height' bmse001297 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 . 1 124.061066 . . . . . . . . . . . bmse001297 3 2 . 1 120.415062 . . . . . . . . . . . bmse001297 3 3 . 1 108.731308 . . . . . . . . . . . bmse001297 3 4 . 1 107.862953 . . . . . . . . . . . bmse001297 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 bmse001297 _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 . . . . . . bmse001297 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 . . bmse001297 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 . . . bmse001297 4 2 . . . bmse001297 4 3 . . . bmse001297 4 4 . . . bmse001297 4 5 . . . bmse001297 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 . 4.542625 . 'relative height' bmse001297 4 2 . 4.587444 . 'relative height' bmse001297 4 3 . 6.402901 . 'relative height' bmse001297 4 4 . 4.634029 . 'relative height' bmse001297 4 5 . 15.0 . 'relative height' bmse001297 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 . 1 124.058922 . . . . . . . . . . . bmse001297 4 2 . 1 120.413589 . . . . . . . . . . . bmse001297 4 3 . 1 108.730728 . . . . . . . . . . . bmse001297 4 4 . 1 107.862717 . . . . . . . . . . . bmse001297 4 5 . 1 21.507177 . . . . . . . . . . . bmse001297 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 bmse001297 _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' . . 165.00 ppm . . . . . . bmse001297 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001297 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 . . bmse001297 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 . . . bmse001297 5 2 . . . bmse001297 5 3 . . . bmse001297 5 4 . . . bmse001297 5 5 . . . bmse001297 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 . 390144.3125 . 'relative height' bmse001297 5 2 . 380113.78125 . 'relative height' bmse001297 5 3 . 303716.3203125 . 'relative height' bmse001297 5 4 . 407709.833984375 . 'relative height' bmse001297 5 5 . 414089.244140625 . 'relative height' bmse001297 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 . 1 124.07608202862656 . . . . . . . . . . . bmse001297 5 1 . 2 7.096500677562199 . . . . . . . . . . . bmse001297 5 2 . 1 120.43358754223165 . . . . . . . . . . . bmse001297 5 2 . 2 7.404910094231568 . . . . . . . . . . . bmse001297 5 3 . 1 108.81229560944789 . . . . . . . . . . . bmse001297 5 3 . 2 7.053323359228487 . . . . . . . . . . . bmse001297 5 4 . 1 107.9450350174491 . . . . . . . . . . . bmse001297 5 4 . 2 6.553700104224108 . . . . . . . . . . . bmse001297 5 5 . 1 21.47638881647085 . . . . . . . . . . . bmse001297 5 5 . 2 2.382583425716535 . . . . . . . . . . . bmse001297 5 stop_ save_