######################### # 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 bmse011073 _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 bmse011073 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 bmse011073 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011073 1 2 bmse011073 1 3 bmse011073 1 5 bmse011073 1 6 bmse011073 1 7 bmse011073 1 8 bmse011073 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 6.9333 11,12_m_Q2 bmse011073 1 2 1 1.4728 13_d_Q1 bmse011073 1 3 1 7.4280 16,17_dd bmse011073 1 4 1 4.6500 SUP bmse011073 1 5 1 7.5914 7,8,14,15_Q3 bmse011073 1 6 1 2.6026 DMSO bmse011073 1 7 1 7.3154 18_t bmse011073 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 2.9711 bmse011073 1 2 2 1 6.7124 bmse011073 1 3 3 1 7.7028 bmse011073 1 4 3 1 7.7028 bmse011073 1 5 4 1 0.0000 bmse011073 1 6 5 1 61.5885 bmse011073 1 7 6 1 1.9532 bmse011073 1 8 7 1 7.3176 bmse011073 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011073 1 2 bmse011073 1 3 bmse011073 1 4 bmse011073 1 5 bmse011073 1 6 bmse011073 1 7 bmse011073 1 8 bmse011073 1 9 bmse011073 1 10 bmse011073 1 11 bmse011073 1 12 bmse011073 1 13 bmse011073 1 14 bmse011073 1 15 bmse011073 1 16 bmse011073 1 17 bmse011073 1 18 bmse011073 1 19 bmse011073 1 20 bmse011073 1 21 bmse011073 1 22 bmse011073 1 23 bmse011073 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 6.9209 bmse011073 1 2 1 6.9260 bmse011073 1 3 1 6.9297 bmse011073 1 4 1 6.9368 bmse011073 1 5 1 6.9405 bmse011073 1 6 1 6.9457 bmse011073 1 7 1 1.4672 bmse011073 1 8 1 1.4784 bmse011073 1 9 1 7.4409 bmse011073 1 10 1 7.4282 bmse011073 1 11 1 7.4282 bmse011073 1 12 1 7.4152 bmse011073 1 13 1 4.6500 bmse011073 1 14 1 7.6427 bmse011073 1 15 1 7.5401 bmse011073 1 16 1 2.5961 bmse011073 1 17 1 2.5996 bmse011073 1 18 1 2.6025 bmse011073 1 19 1 2.6056 bmse011073 1 20 1 2.6091 bmse011073 1 21 1 7.3032 bmse011073 1 22 1 7.3153 bmse011073 1 23 1 7.3276 bmse011073 1 stop_ save_