######################### # 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 bmse011215 _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 bmse011215 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 bmse011215 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011215 1 3 bmse011215 1 4 bmse011215 1 5 bmse011215 1 6 bmse011215 1 8 bmse011215 1 9 bmse011215 1 10 bmse011215 1 11 bmse011215 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 8.3321 12_dd_Q2 bmse011215 1 2 1 8.7865 10_d_Q3 bmse011215 1 3 1 4.6500 SUP bmse011215 1 4 1 9.2501 9_d bmse011215 1 5 1 8.7480 11_dd bmse011215 1 6 1 2.6031 DMSO bmse011215 1 7 1 7.9046 15_m bmse011215 1 8 1 7.9597 13_d bmse011215 1 9 1 7.2617 14_m_Q1 bmse011215 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 5.0068 bmse011215 1 2 1 1 0.9353 bmse011215 1 3 2 1 2.5309 bmse011215 1 4 3 1 0.0000 bmse011215 1 5 4 1 1.3205 bmse011215 1 6 5 1 1.9807 bmse011215 1 7 5 1 1.9807 bmse011215 1 8 6 1 1.8707 bmse011215 1 9 7 1 3.4993 bmse011215 1 10 8 1 8.2530 bmse011215 1 11 9 1 2.2008 bmse011215 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011215 1 2 bmse011215 1 3 bmse011215 1 4 bmse011215 1 5 bmse011215 1 6 bmse011215 1 7 bmse011215 1 8 bmse011215 1 9 bmse011215 1 10 bmse011215 1 11 bmse011215 1 12 bmse011215 1 13 bmse011215 1 14 bmse011215 1 15 bmse011215 1 16 bmse011215 1 17 bmse011215 1 18 bmse011215 1 19 bmse011215 1 20 bmse011215 1 21 bmse011215 1 22 bmse011215 1 23 bmse011215 1 24 bmse011215 1 25 bmse011215 1 26 bmse011215 1 27 bmse011215 1 28 bmse011215 1 29 bmse011215 1 30 bmse011215 1 31 bmse011215 1 32 bmse011215 1 33 bmse011215 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 8.3371 bmse011215 1 2 1 8.3356 bmse011215 1 3 1 8.3288 bmse011215 1 4 1 8.3272 bmse011215 1 5 1 8.7844 bmse011215 1 6 1 8.7887 bmse011215 1 7 1 4.6500 bmse011215 1 8 1 9.2490 bmse011215 1 9 1 9.2512 bmse011215 1 10 1 8.7513 bmse011215 1 11 1 8.7487 bmse011215 1 12 1 8.7487 bmse011215 1 13 1 8.7447 bmse011215 1 14 1 2.5968 bmse011215 1 15 1 2.6000 bmse011215 1 16 1 2.6031 bmse011215 1 17 1 2.6062 bmse011215 1 18 1 2.6093 bmse011215 1 19 1 7.9192 bmse011215 1 20 1 7.9163 bmse011215 1 21 1 7.9069 bmse011215 1 22 1 7.9038 bmse011215 1 23 1 7.8932 bmse011215 1 24 1 7.8901 bmse011215 1 25 1 7.9528 bmse011215 1 26 1 7.9665 bmse011215 1 27 1 7.2727 bmse011215 1 28 1 7.2713 bmse011215 1 29 1 7.2643 bmse011215 1 30 1 7.2628 bmse011215 1 31 1 7.2606 bmse011215 1 32 1 7.2522 bmse011215 1 33 1 7.2507 bmse011215 1 stop_ save_