######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H _Spectral_peak_list.Entry_ID bmse011616 _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.Number_of_spectral_dimensions 1 _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Details 'F1: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011616 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse011616 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011616 1 4 bmse011616 1 6 bmse011616 1 7 bmse011616 1 8 bmse011616 1 9 bmse011616 1 10 bmse011616 1 11 bmse011616 1 12 bmse011616 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Details _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.3794 11_ddd bmse011616 1 2 1 3.5098 10_dd bmse011616 1 3 1 2.7627 7_d_Q2 bmse011616 1 4 1 4.6500 SUP bmse011616 1 5 1 6.8198 13_m bmse011616 1 6 1 1.0382 12_d_Q1 bmse011616 1 7 1 2.6115 DMSO_8_m bmse011616 1 8 1 3.6728 10_m_Q3 bmse011616 1 9 1 7.8257 9_d bmse011616 1 stop_ loop_ _Peak_coupling.ID _Peak_coupling.Peak_ID _Peak_coupling.Spectral_dim_ID _Peak_coupling.Coupling_val _Peak_coupling.Entry_ID _Peak_coupling.Spectral_peak_list_ID 1 1 1 13.4248 bmse011616 1 2 1 1 7.9228 bmse011616 1 3 1 1 1.3205 bmse011616 1 4 2 1 11.6092 bmse011616 1 5 2 1 5.0068 bmse011616 1 6 3 1 1.4305 bmse011616 1 7 4 1 0.0000 bmse011616 1 8 5 1 2.6960 bmse011616 1 9 6 1 6.8224 bmse011616 1 10 7 1 47.9231 bmse011616 1 11 8 1 4.5116 bmse011616 1 12 9 1 5.0618 bmse011616 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011616 1 2 bmse011616 1 3 bmse011616 1 4 bmse011616 1 5 bmse011616 1 6 bmse011616 1 7 bmse011616 1 8 bmse011616 1 9 bmse011616 1 10 bmse011616 1 11 bmse011616 1 12 bmse011616 1 13 bmse011616 1 14 bmse011616 1 15 bmse011616 1 16 bmse011616 1 17 bmse011616 1 18 bmse011616 1 19 bmse011616 1 20 bmse011616 1 21 bmse011616 1 22 bmse011616 1 23 bmse011616 1 24 bmse011616 1 25 bmse011616 1 26 bmse011616 1 27 bmse011616 1 28 bmse011616 1 29 bmse011616 1 30 bmse011616 1 31 bmse011616 1 32 bmse011616 1 33 bmse011616 1 34 bmse011616 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 7.3983 bmse011616 1 2 1 7.3961 bmse011616 1 3 1 7.3851 bmse011616 1 4 1 7.3829 bmse011616 1 5 1 7.3760 bmse011616 1 6 1 7.3738 bmse011616 1 7 1 7.3628 bmse011616 1 8 1 7.3606 bmse011616 1 9 1 3.5237 bmse011616 1 10 1 3.5152 bmse011616 1 11 1 3.5042 bmse011616 1 12 1 3.4960 bmse011616 1 13 1 2.7615 bmse011616 1 14 1 2.7639 bmse011616 1 15 1 4.6500 bmse011616 1 16 1 6.8333 bmse011616 1 17 1 6.8278 bmse011616 1 18 1 6.8250 bmse011616 1 19 1 6.8197 bmse011616 1 20 1 6.8146 bmse011616 1 21 1 6.8118 bmse011616 1 22 1 6.8063 bmse011616 1 23 1 1.0325 bmse011616 1 24 1 1.0439 bmse011616 1 25 1 2.6514 bmse011616 1 26 1 2.5716 bmse011616 1 27 1 3.6916 bmse011616 1 28 1 3.6889 bmse011616 1 29 1 3.6725 bmse011616 1 30 1 3.6696 bmse011616 1 31 1 3.6568 bmse011616 1 32 1 3.6540 bmse011616 1 33 1 7.8215 bmse011616 1 34 1 7.8299 bmse011616 1 stop_ save_