######################### # 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 bmse011301 _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 bmse011301 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 bmse011301 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011301 1 2 bmse011301 1 3 bmse011301 1 5 bmse011301 1 6 bmse011301 1 7 bmse011301 1 8 bmse011301 1 9 bmse011301 1 10 bmse011301 1 12 bmse011301 1 13 bmse011301 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 2.1019 m_1H bmse011301 1 2 1 4.6500 SUP bmse011301 1 3 1 2.3350 dd_1H bmse011301 1 4 1 3.6278 s_1H bmse011301 1 5 1 3.7048 s_3H bmse011301 1 6 1 2.6031 DMSO bmse011301 1 7 1 7.6880 s_1H bmse011301 1 8 1 3.9588 d_1H_Q1 bmse011301 1 9 1 4.0478 dd_1H bmse011301 1 10 1 7.1443 m_1H bmse011301 1 11 1 6.5985 dd_1H bmse011301 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 4.4933 bmse011301 1 2 2 1 0.0000 bmse011301 1 3 3 1 13.4248 bmse011301 1 4 3 1 7.4827 bmse011301 1 5 4 1 0.0000 bmse011301 1 6 5 1 0.0000 bmse011301 1 7 6 1 0.0000 bmse011301 1 8 7 1 0.0000 bmse011301 1 9 8 1 12.2144 bmse011301 1 10 9 1 11.9393 bmse011301 1 11 9 1 3.7964 bmse011301 1 12 10 1 5.3186 bmse011301 1 13 11 1 3.4112 bmse011301 1 14 11 1 1.5406 bmse011301 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011301 1 2 bmse011301 1 3 bmse011301 1 4 bmse011301 1 5 bmse011301 1 6 bmse011301 1 7 bmse011301 1 8 bmse011301 1 9 bmse011301 1 10 bmse011301 1 11 bmse011301 1 12 bmse011301 1 13 bmse011301 1 14 bmse011301 1 15 bmse011301 1 16 bmse011301 1 17 bmse011301 1 18 bmse011301 1 19 bmse011301 1 20 bmse011301 1 21 bmse011301 1 22 bmse011301 1 23 bmse011301 1 24 bmse011301 1 25 bmse011301 1 26 bmse011301 1 27 bmse011301 1 28 bmse011301 1 29 bmse011301 1 30 bmse011301 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 2.1244 bmse011301 1 2 1 2.1174 bmse011301 1 3 1 2.1088 bmse011301 1 4 1 2.1018 bmse011301 1 5 1 2.0950 bmse011301 1 6 1 2.0866 bmse011301 1 7 1 2.0794 bmse011301 1 8 1 4.6500 bmse011301 1 9 1 2.3524 bmse011301 1 10 1 2.3400 bmse011301 1 11 1 2.3301 bmse011301 1 12 1 2.3176 bmse011301 1 13 1 3.6278 bmse011301 1 14 1 3.7048 bmse011301 1 15 1 2.6031 bmse011301 1 16 1 7.6880 bmse011301 1 17 1 3.9487 bmse011301 1 18 1 3.9690 bmse011301 1 19 1 4.0609 bmse011301 1 20 1 4.0546 bmse011301 1 21 1 4.0411 bmse011301 1 22 1 4.0347 bmse011301 1 23 1 7.1576 bmse011301 1 24 1 7.1515 bmse011301 1 25 1 7.1369 bmse011301 1 26 1 7.1310 bmse011301 1 27 1 6.6026 bmse011301 1 28 1 6.6000 bmse011301 1 29 1 6.5969 bmse011301 1 30 1 6.5944 bmse011301 1 stop_ save_