######################### # 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 bmse011494 _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 bmse011494 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 bmse011494 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011494 1 2 bmse011494 1 4 bmse011494 1 5 bmse011494 1 6 bmse011494 1 7 bmse011494 1 8 bmse011494 1 9 bmse011494 1 10 bmse011494 1 12 bmse011494 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 4.6500 SUP bmse011494 1 2 1 6.1359 8,9_dd bmse011494 1 3 1 2.2280 6,7_d bmse011494 1 4 1 2.6301 DMSO_12_m bmse011494 1 5 1 4.2747 3_s bmse011494 1 6 1 3.5310 10,11_m_Q2 bmse011494 1 7 1 7.4519 14,15,16,17, bmse011494 1 8 1 3.1388 10,11_m_Q1 bmse011494 1 9 1 6.8405 4,5_dd_Q3 bmse011494 1 10 1 2.0835 6,7_m bmse011494 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 bmse011494 1 2 2 1 2.0357 bmse011494 1 3 2 1 2.0357 bmse011494 1 4 3 1 13.7549 bmse011494 1 5 4 1 67.4574 bmse011494 1 6 5 1 0.0000 bmse011494 1 7 6 1 6.7124 bmse011494 1 8 7 1 108.5216 bmse011494 1 9 8 1 7.0425 bmse011494 1 10 9 1 2.0357 bmse011494 1 11 9 1 2.0357 bmse011494 1 12 10 1 8.7481 bmse011494 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011494 1 2 bmse011494 1 3 bmse011494 1 4 bmse011494 1 5 bmse011494 1 6 bmse011494 1 7 bmse011494 1 8 bmse011494 1 9 bmse011494 1 10 bmse011494 1 11 bmse011494 1 12 bmse011494 1 13 bmse011494 1 14 bmse011494 1 15 bmse011494 1 16 bmse011494 1 17 bmse011494 1 18 bmse011494 1 19 bmse011494 1 20 bmse011494 1 21 bmse011494 1 22 bmse011494 1 23 bmse011494 1 24 bmse011494 1 25 bmse011494 1 26 bmse011494 1 27 bmse011494 1 28 bmse011494 1 29 bmse011494 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 4.6500 bmse011494 1 2 1 6.1393 bmse011494 1 3 1 6.1360 bmse011494 1 4 1 6.1360 bmse011494 1 5 1 6.1325 bmse011494 1 6 1 2.2166 bmse011494 1 7 1 2.2395 bmse011494 1 8 1 2.6863 bmse011494 1 9 1 2.5739 bmse011494 1 10 1 4.2747 bmse011494 1 11 1 3.5422 bmse011494 1 12 1 3.5215 bmse011494 1 13 1 3.5198 bmse011494 1 14 1 7.5423 bmse011494 1 15 1 7.3615 bmse011494 1 16 1 3.1623 bmse011494 1 17 1 3.1397 bmse011494 1 18 1 3.1375 bmse011494 1 19 1 3.1181 bmse011494 1 20 1 3.1153 bmse011494 1 21 1 6.8439 bmse011494 1 22 1 6.8404 bmse011494 1 23 1 6.8404 bmse011494 1 24 1 6.8371 bmse011494 1 25 1 2.1126 bmse011494 1 26 1 2.1071 bmse011494 1 27 1 2.0877 bmse011494 1 28 1 2.0717 bmse011494 1 29 1 2.0543 bmse011494 1 stop_ save_