######################### # 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 bmse011407 _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 bmse011407 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 bmse011407 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011407 1 2 bmse011407 1 4 bmse011407 1 5 bmse011407 1 7 bmse011407 1 9 bmse011407 1 10 bmse011407 1 11 bmse011407 1 13 bmse011407 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 1.8827 11_s bmse011407 1 2 1 3.2274 7_dd_Q3 bmse011407 1 3 1 2.6517 DMSO_9_m bmse011407 1 4 1 2.9641 6_dd_Q1 bmse011407 1 5 1 3.0718 6_dd_Q2 bmse011407 1 6 1 6.6385 12_d bmse011407 1 7 1 7.0087 10,14_m bmse011407 1 8 1 6.7040 13_dd bmse011407 1 9 1 4.6500 SUP bmse011407 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 0.0000 bmse011407 1 2 2 1 11.3341 bmse011407 1 3 2 1 2.5309 bmse011407 1 4 3 1 97.3878 bmse011407 1 5 4 1 16.2308 bmse011407 1 6 4 1 5.1168 bmse011407 1 7 5 1 11.0039 bmse011407 1 8 5 1 6.9325 bmse011407 1 9 6 1 8.0329 bmse011407 1 10 7 1 67.6510 bmse011407 1 11 8 1 7.2626 bmse011407 1 12 8 1 7.2626 bmse011407 1 13 9 1 0.0000 bmse011407 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011407 1 2 bmse011407 1 3 bmse011407 1 4 bmse011407 1 5 bmse011407 1 6 bmse011407 1 7 bmse011407 1 8 bmse011407 1 9 bmse011407 1 10 bmse011407 1 11 bmse011407 1 12 bmse011407 1 13 bmse011407 1 14 bmse011407 1 15 bmse011407 1 16 bmse011407 1 17 bmse011407 1 18 bmse011407 1 19 bmse011407 1 20 bmse011407 1 21 bmse011407 1 22 bmse011407 1 23 bmse011407 1 24 bmse011407 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 1.8827 bmse011407 1 2 1 3.2389 bmse011407 1 3 1 3.2349 bmse011407 1 4 1 3.2202 bmse011407 1 5 1 3.2158 bmse011407 1 6 1 2.7329 bmse011407 1 7 1 2.5706 bmse011407 1 8 1 2.9819 bmse011407 1 9 1 2.9733 bmse011407 1 10 1 2.9547 bmse011407 1 11 1 2.9463 bmse011407 1 12 1 3.0867 bmse011407 1 13 1 3.0746 bmse011407 1 14 1 3.0679 bmse011407 1 15 1 3.0569 bmse011407 1 16 1 6.6318 bmse011407 1 17 1 6.6451 bmse011407 1 18 1 7.0651 bmse011407 1 19 1 6.9524 bmse011407 1 20 1 6.7161 bmse011407 1 21 1 6.7038 bmse011407 1 22 1 6.7038 bmse011407 1 23 1 6.6919 bmse011407 1 24 1 4.6500 bmse011407 1 stop_ save_