######################### # 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 bmse011300 _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 bmse011300 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 bmse011300 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011300 1 2 bmse011300 1 3 bmse011300 1 5 bmse011300 1 6 bmse011300 1 8 bmse011300 1 9 bmse011300 1 10 bmse011300 1 11 bmse011300 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 6.9243 6,10_m bmse011300 1 2 1 1.1298 15_d_Q1 bmse011300 1 3 1 3.0229 13_dd_Q2 bmse011300 1 4 1 4.6500 SUP bmse011300 1 5 1 2.8427 13_dd bmse011300 1 6 1 4.1071 8_s bmse011300 1 7 1 2.6031 DMSO bmse011300 1 8 1 6.8704 7_d bmse011300 1 9 1 5.9431 5_m_Q3 bmse011300 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 43.8983 bmse011300 1 2 2 1 6.4923 bmse011300 1 3 3 1 12.7646 bmse011300 1 4 3 1 2.9711 bmse011300 1 5 4 1 0.0000 bmse011300 1 6 5 1 12.7095 bmse011300 1 7 5 1 9.9586 bmse011300 1 8 6 1 0.0000 bmse011300 1 9 7 1 1.9807 bmse011300 1 10 8 1 7.8128 bmse011300 1 11 9 1 0.0000 bmse011300 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011300 1 2 bmse011300 1 3 bmse011300 1 4 bmse011300 1 5 bmse011300 1 6 bmse011300 1 7 bmse011300 1 8 bmse011300 1 9 bmse011300 1 10 bmse011300 1 11 bmse011300 1 12 bmse011300 1 13 bmse011300 1 14 bmse011300 1 15 bmse011300 1 16 bmse011300 1 17 bmse011300 1 18 bmse011300 1 19 bmse011300 1 20 bmse011300 1 21 bmse011300 1 22 bmse011300 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 6.9609 bmse011300 1 2 1 6.8877 bmse011300 1 3 1 1.1244 bmse011300 1 4 1 1.1352 bmse011300 1 5 1 3.0360 bmse011300 1 6 1 3.0310 bmse011300 1 7 1 3.0147 bmse011300 1 8 1 3.0097 bmse011300 1 9 1 4.6500 bmse011300 1 10 1 2.8616 bmse011300 1 11 1 2.8451 bmse011300 1 12 1 2.8405 bmse011300 1 13 1 2.8238 bmse011300 1 14 1 4.1071 bmse011300 1 15 1 2.5965 bmse011300 1 16 1 2.6000 bmse011300 1 17 1 2.6031 bmse011300 1 18 1 2.6062 bmse011300 1 19 1 2.6097 bmse011300 1 20 1 6.8639 bmse011300 1 21 1 6.8769 bmse011300 1 22 1 5.9431 bmse011300 1 stop_ save_