######################### # 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 bmse011666 _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 bmse011666 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 bmse011666 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011666 1 2 bmse011666 1 3 bmse011666 1 4 bmse011666 1 5 bmse011666 1 6 bmse011666 1 7 bmse011666 1 10 bmse011666 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 8.2530 11,12_d bmse011666 1 2 1 2.9189 5,6_m_Q3 bmse011666 1 3 1 3.3931 5,6,13_m bmse011666 1 4 1 6.6130 10_t bmse011666 1 5 1 2.6026 DMSO bmse011666 1 6 1 4.6500 SUP bmse011666 1 7 1 1.0937 7,8_ddd_Q1 bmse011666 1 8 1 1.7455 7,8,9_m_Q2 bmse011666 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 4.9518 bmse011666 1 2 2 1 5.6560 bmse011666 1 3 3 1 29.9579 bmse011666 1 4 4 1 4.8968 bmse011666 1 5 5 1 1.9532 bmse011666 1 6 6 1 0.0000 bmse011666 1 7 7 1 24.5938 bmse011666 1 8 7 1 12.5445 bmse011666 1 9 7 1 4.0164 bmse011666 1 10 8 1 130.7408 bmse011666 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011666 1 2 bmse011666 1 3 bmse011666 1 4 bmse011666 1 5 bmse011666 1 6 bmse011666 1 7 bmse011666 1 8 bmse011666 1 9 bmse011666 1 10 bmse011666 1 11 bmse011666 1 12 bmse011666 1 13 bmse011666 1 14 bmse011666 1 15 bmse011666 1 16 bmse011666 1 17 bmse011666 1 18 bmse011666 1 19 bmse011666 1 20 bmse011666 1 21 bmse011666 1 22 bmse011666 1 23 bmse011666 1 24 bmse011666 1 25 bmse011666 1 26 bmse011666 1 27 bmse011666 1 28 bmse011666 1 29 bmse011666 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 8.2489 bmse011666 1 2 1 8.2571 bmse011666 1 3 1 2.9425 bmse011666 1 4 1 2.9382 bmse011666 1 5 1 2.9206 bmse011666 1 6 1 2.9172 bmse011666 1 7 1 2.8994 bmse011666 1 8 1 2.8953 bmse011666 1 9 1 3.4180 bmse011666 1 10 1 3.3681 bmse011666 1 11 1 6.6048 bmse011666 1 12 1 6.6131 bmse011666 1 13 1 6.6211 bmse011666 1 14 1 2.5961 bmse011666 1 15 1 2.6000 bmse011666 1 16 1 2.6027 bmse011666 1 17 1 2.6058 bmse011666 1 18 1 2.6091 bmse011666 1 19 1 4.6500 bmse011666 1 20 1 1.1281 bmse011666 1 21 1 1.1213 bmse011666 1 22 1 1.1070 bmse011666 1 23 1 1.1007 bmse011666 1 24 1 1.0872 bmse011666 1 25 1 1.0804 bmse011666 1 26 1 1.0663 bmse011666 1 27 1 1.0593 bmse011666 1 28 1 1.8545 bmse011666 1 29 1 1.6366 bmse011666 1 stop_ save_