######################### # 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 bmse011453 _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 bmse011453 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 bmse011453 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011453 1 2 bmse011453 1 3 bmse011453 1 4 bmse011453 1 5 bmse011453 1 6 bmse011453 1 7 bmse011453 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 bmse011453 1 2 1 2.6033 DMSO bmse011453 1 3 1 3.5518 7_m bmse011453 1 4 1 3.0350 6,10,11_m bmse011453 1 5 1 3.3730 10,11_m_Q3 bmse011453 1 6 1 1.7080 8,9_m_Q1 bmse011453 1 7 1 2.1281 8,9_m_Q2 bmse011453 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 bmse011453 1 2 2 1 1.8156 bmse011453 1 3 3 1 3.1911 bmse011453 1 4 4 1 53.3395 bmse011453 1 5 5 1 4.3135 bmse011453 1 6 6 1 3.7013 bmse011453 1 7 7 1 4.5941 bmse011453 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011453 1 2 bmse011453 1 3 bmse011453 1 4 bmse011453 1 5 bmse011453 1 6 bmse011453 1 7 bmse011453 1 8 bmse011453 1 9 bmse011453 1 10 bmse011453 1 11 bmse011453 1 12 bmse011453 1 13 bmse011453 1 14 bmse011453 1 15 bmse011453 1 16 bmse011453 1 17 bmse011453 1 18 bmse011453 1 19 bmse011453 1 20 bmse011453 1 21 bmse011453 1 22 bmse011453 1 23 bmse011453 1 24 bmse011453 1 25 bmse011453 1 26 bmse011453 1 27 bmse011453 1 28 bmse011453 1 29 bmse011453 1 30 bmse011453 1 31 bmse011453 1 32 bmse011453 1 33 bmse011453 1 34 bmse011453 1 35 bmse011453 1 36 bmse011453 1 37 bmse011453 1 38 bmse011453 1 39 bmse011453 1 40 bmse011453 1 41 bmse011453 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 bmse011453 1 2 1 2.5972 bmse011453 1 3 1 2.6001 bmse011453 1 4 1 2.6033 bmse011453 1 5 1 2.6064 bmse011453 1 6 1 2.6093 bmse011453 1 7 1 3.5757 bmse011453 1 8 1 3.5689 bmse011453 1 9 1 3.5622 bmse011453 1 10 1 3.5618 bmse011453 1 11 1 3.5587 bmse011453 1 12 1 3.5517 bmse011453 1 13 1 3.5449 bmse011453 1 14 1 3.5416 bmse011453 1 15 1 3.5347 bmse011453 1 16 1 3.5279 bmse011453 1 17 1 3.0794 bmse011453 1 18 1 2.9905 bmse011453 1 19 1 3.3909 bmse011453 1 20 1 3.3843 bmse011453 1 21 1 3.3775 bmse011453 1 22 1 3.3682 bmse011453 1 23 1 3.3616 bmse011453 1 24 1 3.3550 bmse011453 1 25 1 1.7419 bmse011453 1 26 1 1.7351 bmse011453 1 27 1 1.7241 bmse011453 1 28 1 1.7236 bmse011453 1 29 1 1.7173 bmse011453 1 30 1 1.7109 bmse011453 1 31 1 1.7049 bmse011453 1 32 1 1.6986 bmse011453 1 33 1 1.6926 bmse011453 1 34 1 1.6915 bmse011453 1 35 1 1.6808 bmse011453 1 36 1 1.6741 bmse011453 1 37 1 2.1434 bmse011453 1 38 1 2.1376 bmse011453 1 39 1 2.1278 bmse011453 1 40 1 2.1187 bmse011453 1 41 1 2.1128 bmse011453 1 stop_ save_