######################### # 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 bmse011460 _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 bmse011460 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 bmse011460 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011460 1 3 bmse011460 1 4 bmse011460 1 5 bmse011460 1 6 bmse011460 1 7 bmse011460 1 10 bmse011460 1 11 bmse011460 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 3.5115 9_dd_Q2 bmse011460 1 2 1 3.1184 7_m bmse011460 1 3 1 4.6500 SUP bmse011460 1 4 1 3.2442 4,8_m bmse011460 1 5 1 2.6032 DMSO bmse011460 1 6 1 3.8277 9_ddd_Q3 bmse011460 1 7 1 2.6994 10_d_Q1 bmse011460 1 8 1 3.0383 7_m bmse011460 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 13.2047 bmse011460 1 2 1 1 2.0907 bmse011460 1 3 2 1 5.7441 bmse011460 1 4 3 1 0.0000 bmse011460 1 5 4 1 46.8019 bmse011460 1 6 5 1 1.8432 bmse011460 1 7 6 1 13.5623 bmse011460 1 8 6 1 11.3065 bmse011460 1 9 6 1 2.1183 bmse011460 1 10 7 1 4.5116 bmse011460 1 11 8 1 8.0329 bmse011460 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011460 1 2 bmse011460 1 3 bmse011460 1 4 bmse011460 1 5 bmse011460 1 6 bmse011460 1 7 bmse011460 1 8 bmse011460 1 9 bmse011460 1 10 bmse011460 1 11 bmse011460 1 12 bmse011460 1 13 bmse011460 1 14 bmse011460 1 15 bmse011460 1 16 bmse011460 1 17 bmse011460 1 18 bmse011460 1 19 bmse011460 1 20 bmse011460 1 21 bmse011460 1 22 bmse011460 1 23 bmse011460 1 24 bmse011460 1 25 bmse011460 1 26 bmse011460 1 27 bmse011460 1 28 bmse011460 1 29 bmse011460 1 30 bmse011460 1 31 bmse011460 1 32 bmse011460 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 3.5242 bmse011460 1 2 1 3.5207 bmse011460 1 3 1 3.5022 bmse011460 1 4 1 3.4987 bmse011460 1 5 1 3.1423 bmse011460 1 6 1 3.1359 bmse011460 1 7 1 3.1227 bmse011460 1 8 1 3.1163 bmse011460 1 9 1 3.1010 bmse011460 1 10 1 3.0944 bmse011460 1 11 1 4.6500 bmse011460 1 12 1 3.2832 bmse011460 1 13 1 3.2053 bmse011460 1 14 1 2.5970 bmse011460 1 15 1 2.6000 bmse011460 1 16 1 2.6031 bmse011460 1 17 1 2.6062 bmse011460 1 18 1 2.6093 bmse011460 1 19 1 3.8506 bmse011460 1 20 1 3.8464 bmse011460 1 21 1 3.8311 bmse011460 1 22 1 3.8282 bmse011460 1 23 1 3.8273 bmse011460 1 24 1 3.8245 bmse011460 1 25 1 3.8091 bmse011460 1 26 1 3.8049 bmse011460 1 27 1 2.6957 bmse011460 1 28 1 2.7032 bmse011460 1 29 1 3.0583 bmse011460 1 30 1 3.0398 bmse011460 1 31 1 3.0367 bmse011460 1 32 1 3.0182 bmse011460 1 stop_ save_