######################### # 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 bmse011345 _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 bmse011345 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 bmse011345 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011345 1 2 bmse011345 1 3 bmse011345 1 5 bmse011345 1 6 bmse011345 1 7 bmse011345 1 8 bmse011345 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 1.8108 m_1H bmse011345 1 2 1 3.1289 t_2H bmse011345 1 3 1 7.4457 dd_1H_Q1 bmse011345 1 4 1 0.8638 m_6H bmse011345 1 5 1 2.6029 DMSO bmse011345 1 6 1 3.8321 s_3H bmse011345 1 7 1 7.0635 m_1H bmse011345 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 6.7674 bmse011345 1 2 2 1 6.4923 bmse011345 1 3 3 1 8.8582 bmse011345 1 4 3 1 2.6960 bmse011345 1 5 4 1 6.7124 bmse011345 1 6 5 1 1.9807 bmse011345 1 7 6 1 0.0000 bmse011345 1 8 7 1 9.0232 bmse011345 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011345 1 2 bmse011345 1 3 bmse011345 1 4 bmse011345 1 5 bmse011345 1 6 bmse011345 1 7 bmse011345 1 8 bmse011345 1 9 bmse011345 1 10 bmse011345 1 11 bmse011345 1 12 bmse011345 1 13 bmse011345 1 14 bmse011345 1 15 bmse011345 1 16 bmse011345 1 17 bmse011345 1 18 bmse011345 1 19 bmse011345 1 20 bmse011345 1 21 bmse011345 1 22 bmse011345 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 1.8334 bmse011345 1 2 1 1.8222 bmse011345 1 3 1 1.8108 bmse011345 1 4 1 1.7997 bmse011345 1 5 1 1.7883 bmse011345 1 6 1 3.1181 bmse011345 1 7 1 3.1289 bmse011345 1 8 1 3.1397 bmse011345 1 9 1 7.4554 bmse011345 1 10 1 7.4508 bmse011345 1 11 1 7.4405 bmse011345 1 12 1 7.4361 bmse011345 1 13 1 0.8693 bmse011345 1 14 1 0.8582 bmse011345 1 15 1 2.5963 bmse011345 1 16 1 2.6000 bmse011345 1 17 1 2.6029 bmse011345 1 18 1 2.6060 bmse011345 1 19 1 2.6095 bmse011345 1 20 1 3.8321 bmse011345 1 21 1 7.0711 bmse011345 1 22 1 7.0560 bmse011345 1 stop_ save_