######################### # 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 bmse011687 _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 bmse011687 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 bmse011687 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011687 1 2 bmse011687 1 3 bmse011687 1 4 bmse011687 1 5 bmse011687 1 6 bmse011687 1 7 bmse011687 1 8 bmse011687 1 9 bmse011687 1 10 bmse011687 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 7.4467 m_4H bmse011687 1 2 1 7.5790 d_1H bmse011687 1 3 1 4.6500 SUP bmse011687 1 4 1 2.6028 DMSO bmse011687 1 5 1 2.4938 Imp1 bmse011687 1 6 1 6.8802 m_2H_Q1 bmse011687 1 7 1 7.3053 m_1H bmse011687 1 8 1 3.0635 s_1H bmse011687 1 9 1 2.7197 Imp2 bmse011687 1 10 1 7.6519 m_1H bmse011687 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 10.0796 bmse011687 1 2 2 1 7.3726 bmse011687 1 3 3 1 0.0000 bmse011687 1 4 4 1 1.9532 bmse011687 1 5 5 1 0.0000 bmse011687 1 6 6 1 8.3630 bmse011687 1 7 7 1 5.6120 bmse011687 1 8 8 1 0.0000 bmse011687 1 9 9 1 0.0000 bmse011687 1 10 10 1 6.2172 bmse011687 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011687 1 2 bmse011687 1 3 bmse011687 1 4 bmse011687 1 5 bmse011687 1 6 bmse011687 1 7 bmse011687 1 8 bmse011687 1 9 bmse011687 1 10 bmse011687 1 11 bmse011687 1 12 bmse011687 1 13 bmse011687 1 14 bmse011687 1 15 bmse011687 1 16 bmse011687 1 17 bmse011687 1 18 bmse011687 1 19 bmse011687 1 20 bmse011687 1 21 bmse011687 1 22 bmse011687 1 23 bmse011687 1 24 bmse011687 1 25 bmse011687 1 26 bmse011687 1 27 bmse011687 1 28 bmse011687 1 29 bmse011687 1 30 bmse011687 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 7.4887 bmse011687 1 2 1 7.4748 bmse011687 1 3 1 7.4596 bmse011687 1 4 1 7.4304 bmse011687 1 5 1 7.4178 bmse011687 1 6 1 7.4048 bmse011687 1 7 1 7.5729 bmse011687 1 8 1 7.5852 bmse011687 1 9 1 4.6500 bmse011687 1 10 1 2.5963 bmse011687 1 11 1 2.6000 bmse011687 1 12 1 2.6029 bmse011687 1 13 1 2.6056 bmse011687 1 14 1 2.6093 bmse011687 1 15 1 2.4938 bmse011687 1 16 1 6.8732 bmse011687 1 17 1 6.8872 bmse011687 1 18 1 7.3287 bmse011687 1 19 1 7.3147 bmse011687 1 20 1 7.3061 bmse011687 1 21 1 7.2940 bmse011687 1 22 1 7.2839 bmse011687 1 23 1 7.2819 bmse011687 1 24 1 3.0635 bmse011687 1 25 1 2.7197 bmse011687 1 26 1 7.6726 bmse011687 1 27 1 7.6583 bmse011687 1 28 1 7.6537 bmse011687 1 29 1 7.6435 bmse011687 1 30 1 7.6312 bmse011687 1 stop_ save_