######################### # 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 bmse001276 _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 . . . . . . bmse001276 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 . . bmse001276 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 . . . bmse001276 1 2 . . . bmse001276 1 3 . . . bmse001276 1 4 . . . bmse001276 1 5 . . . bmse001276 1 6 . . . bmse001276 1 7 . . . bmse001276 1 8 . . . bmse001276 1 9 . . . bmse001276 1 10 . . . bmse001276 1 11 . . . bmse001276 1 12 . . . bmse001276 1 13 . . . bmse001276 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 . 3.90 . 'relative height' bmse001276 1 2 . 4.92 . 'relative height' bmse001276 1 3 . 3.84 . 'relative height' bmse001276 1 4 . 6.44 . 'relative height' bmse001276 1 5 . 10.38 . 'relative height' bmse001276 1 6 . 7.10 . 'relative height' bmse001276 1 7 . 7.71 . 'relative height' bmse001276 1 8 . 7.43 . 'relative height' bmse001276 1 9 . 15.00 . 'relative height' bmse001276 1 10 . 8.00 . 'relative height' bmse001276 1 11 . 8.31 . 'relative height' bmse001276 1 12 . 8.35 . 'relative height' bmse001276 1 13 . 8.22 . 'relative height' bmse001276 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 7.4332 . . . . . . . . . . . bmse001276 1 2 . 1 7.4288 . . . . . . . . . . . bmse001276 1 3 . 1 7.4166 . . . . . . . . . . . bmse001276 1 4 . 1 7.4122 . . . . . . . . . . . bmse001276 1 5 . 1 7.4033 . . . . . . . . . . . bmse001276 1 6 . 1 7.3991 . . . . . . . . . . . bmse001276 1 7 . 1 6.8994 . . . . . . . . . . . bmse001276 1 8 . 1 6.8829 . . . . . . . . . . . bmse001276 1 9 . 1 6.6781 . . . . . . . . . . . bmse001276 1 10 . 1 6.4457 . . . . . . . . . . . bmse001276 1 11 . 1 6.4418 . . . . . . . . . . . bmse001276 1 12 . 1 6.1899 . . . . . . . . . . . bmse001276 1 13 . 1 6.1861 . . . . . . . . . . . bmse001276 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 bmse001276 _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 . . . . . . bmse001276 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 . . bmse001276 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 . . . bmse001276 2 2 . . . bmse001276 2 3 . . . bmse001276 2 4 . . . bmse001276 2 5 . . . bmse001276 2 6 . . . bmse001276 2 7 . . . bmse001276 2 8 . . . bmse001276 2 9 . . . bmse001276 2 10 . . . bmse001276 2 11 . . . bmse001276 2 12 . . . bmse001276 2 13 . . . bmse001276 2 14 . . . bmse001276 2 15 . . . bmse001276 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 . 0.33 . 'relative height' bmse001276 2 2 . 0.32 . 'relative height' bmse001276 2 3 . 0.33 . 'relative height' bmse001276 2 4 . 0.37 . 'relative height' bmse001276 2 5 . 0.38 . 'relative height' bmse001276 2 6 . 0.41 . 'relative height' bmse001276 2 7 . 0.54 . 'relative height' bmse001276 2 8 . 0.44 . 'relative height' bmse001276 2 9 . 0.48 . 'relative height' bmse001276 2 10 . 0.51 . 'relative height' bmse001276 2 11 . 0.52 . 'relative height' bmse001276 2 12 . 0.36 . 'relative height' bmse001276 2 13 . 0.41 . 'relative height' bmse001276 2 14 . 0.34 . 'relative height' bmse001276 2 15 . 0.45 . 'relative height' bmse001276 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 . 1 181.6610 . . . . . . . . . . . bmse001276 2 2 . 1 164.3292 . . . . . . . . . . . bmse001276 2 3 . 1 163.8808 . . . . . . . . . . . bmse001276 2 4 . 1 161.4904 . . . . . . . . . . . bmse001276 2 5 . 1 157.3156 . . . . . . . . . . . bmse001276 2 6 . 1 149.7881 . . . . . . . . . . . bmse001276 2 7 . 1 145.7690 . . . . . . . . . . . bmse001276 2 8 . 1 121.4498 . . . . . . . . . . . bmse001276 2 9 . 1 119.0148 . . . . . . . . . . . bmse001276 2 10 . 1 116.0162 . . . . . . . . . . . bmse001276 2 11 . 1 113.3309 . . . . . . . . . . . bmse001276 2 12 . 1 103.6391 . . . . . . . . . . . bmse001276 2 13 . 1 102.8435 . . . . . . . . . . . bmse001276 2 14 . 1 98.8793 . . . . . . . . . . . bmse001276 2 15 . 1 93.8813 . . . . . . . . . . . bmse001276 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 . . . . 12 181.6610 1 . 1 1 1 BMET001276 C12 . . . bmse001276 2 2 1 . . . . 8 164.3292 1 . 1 1 1 BMET001276 C8 . . . bmse001276 2 3 1 . . . . 13 163.8808 1 . 1 1 1 BMET001276 C13 . . . bmse001276 2 4 1 . . . . 14 161.4904 1 . 1 1 1 BMET001276 C14 . . . bmse001276 2 5 1 . . . . 11 157.3156 1 . 1 1 1 BMET001276 C11 . . . bmse001276 2 6 1 . . . . 10 149.7881 1 . 1 1 1 BMET001276 C10 . . . bmse001276 2 7 1 . . . . 9 145.7690 1 . 1 1 1 BMET001276 C9 . . . bmse001276 2 8 1 . . . . 7 121.4498 1 . 1 1 1 BMET001276 C7 . . . bmse001276 2 9 1 . . . . 2 119.0148 1 . 1 1 1 BMET001276 C2 . . . bmse001276 2 10 1 . . . . 1 116.0162 1 . 1 1 1 BMET001276 C1 . . . bmse001276 2 11 1 . . . . 3 113.3309 1 . 1 1 1 BMET001276 C3 . . . bmse001276 2 12 1 . . . . 6 103.6391 1 . 1 1 1 BMET001276 C6 . . . bmse001276 2 13 1 . . . . 15 102.8435 1 . 1 1 1 BMET001276 C15 . . . bmse001276 2 14 1 . . . . 5 98.8793 1 . 1 1 1 BMET001276 C5 . . . bmse001276 2 15 1 . . . . 4 93.8813 1 . 1 1 1 BMET001276 C4 . . . bmse001276 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 bmse001276 _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 . . . . . . bmse001276 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 . . bmse001276 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 . . . bmse001276 3 2 . . . bmse001276 3 3 . . . bmse001276 3 4 . . . bmse001276 3 5 . . . bmse001276 3 6 . . . bmse001276 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 . 13.52 . 'relative height' bmse001276 3 2 . 14.73 . 'relative height' bmse001276 3 3 . 15.00 . 'relative height' bmse001276 3 4 . 11.67 . 'relative height' bmse001276 3 5 . 11.56 . 'relative height' bmse001276 3 6 . 12.25 . 'relative height' bmse001276 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 . 1 118.7680 . . . . . . . . . . . bmse001276 3 2 . 1 115.7688 . . . . . . . . . . . bmse001276 3 3 . 1 113.0829 . . . . . . . . . . . bmse001276 3 4 . 1 102.5954 . . . . . . . . . . . bmse001276 3 5 . 1 98.6308 . . . . . . . . . . . bmse001276 3 6 . 1 93.6329 . . . . . . . . . . . bmse001276 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 bmse001276 _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 . . . . . . bmse001276 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 . . bmse001276 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 . . . bmse001276 4 2 . . . bmse001276 4 3 . . . bmse001276 4 4 . . . bmse001276 4 5 . . . bmse001276 4 6 . . . bmse001276 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 . 12.82 . 'relative height' bmse001276 4 2 . 14.68 . 'relative height' bmse001276 4 3 . 15.00 . 'relative height' bmse001276 4 4 . 10.79 . 'relative height' bmse001276 4 5 . 10.22 . 'relative height' bmse001276 4 6 . 11.20 . 'relative height' bmse001276 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 . 1 118.7654 . . . . . . . . . . . bmse001276 4 2 . 1 115.7665 . . . . . . . . . . . bmse001276 4 3 . 1 113.0799 . . . . . . . . . . . bmse001276 4 4 . 1 102.5931 . . . . . . . . . . . bmse001276 4 5 . 1 98.6285 . . . . . . . . . . . bmse001276 4 6 . 1 93.6312 . . . . . . . . . . . bmse001276 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 bmse001276 _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 . . . . . . bmse001276 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001276 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 . . bmse001276 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 . . . bmse001276 5 2 . . . bmse001276 5 3 . . . bmse001276 5 4 . . . bmse001276 5 5 . . . bmse001276 5 6 . . . bmse001276 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 . 149093.44 . 'relative height' bmse001276 5 2 . 220236.21 . 'relative height' bmse001276 5 3 . 168092.75 . 'relative height' bmse001276 5 4 . 233624.19 . 'relative height' bmse001276 5 5 . 147344.54 . 'relative height' bmse001276 5 6 . 160414.55 . 'relative height' bmse001276 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 . 1 118.7726 . . . . . . . . . . . bmse001276 5 1 . 2 7.4258 . . . . . . . . . . . bmse001276 5 2 . 1 112.9802 . . . . . . . . . . . bmse001276 5 2 . 2 7.4073 . . . . . . . . . . . bmse001276 5 3 . 1 115.7301 . . . . . . . . . . . bmse001276 5 3 . 2 6.8991 . . . . . . . . . . . bmse001276 5 4 . 1 102.5072 . . . . . . . . . . . bmse001276 5 4 . 2 6.6840 . . . . . . . . . . . bmse001276 5 5 . 1 98.5286 . . . . . . . . . . . bmse001276 5 5 . 2 6.2018 . . . . . . . . . . . bmse001276 5 6 . 1 93.5554 . . . . . . . . . . . bmse001276 5 6 . 2 6.4540 . . . . . . . . . . . bmse001276 5 stop_ save_