######################### # 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 bmse011128 _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 bmse011128 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 bmse011128 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011128 1 3 bmse011128 1 4 bmse011128 1 5 bmse011128 1 6 bmse011128 1 7 bmse011128 1 8 bmse011128 1 9 bmse011128 1 10 bmse011128 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 3.8998 dd_1H bmse011128 1 2 1 8.7094 s_1H_Q1 bmse011128 1 3 1 4.6500 SUP bmse011128 1 4 1 2.1167 m_1H bmse011128 1 5 1 2.6031 DMSO bmse011128 1 6 1 0.8148 d_3H bmse011128 1 7 1 1.1575 d_1H bmse011128 1 8 1 1.6462 m_1H bmse011128 1 9 1 2.7164 Imp2 bmse011128 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 14.7453 bmse011128 1 2 1 1 7.5927 bmse011128 1 3 2 1 0.0000 bmse011128 1 4 3 1 0.0000 bmse011128 1 5 4 1 7.2748 bmse011128 1 6 5 1 1.8707 bmse011128 1 7 6 1 7.1526 bmse011128 1 8 7 1 6.7124 bmse011128 1 9 8 1 3.9339 bmse011128 1 10 9 1 0.0000 bmse011128 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011128 1 2 bmse011128 1 3 bmse011128 1 4 bmse011128 1 5 bmse011128 1 6 bmse011128 1 7 bmse011128 1 8 bmse011128 1 9 bmse011128 1 10 bmse011128 1 11 bmse011128 1 12 bmse011128 1 13 bmse011128 1 14 bmse011128 1 15 bmse011128 1 16 bmse011128 1 17 bmse011128 1 18 bmse011128 1 19 bmse011128 1 20 bmse011128 1 21 bmse011128 1 22 bmse011128 1 23 bmse011128 1 24 bmse011128 1 25 bmse011128 1 26 bmse011128 1 27 bmse011128 1 28 bmse011128 1 29 bmse011128 1 30 bmse011128 1 31 bmse011128 1 32 bmse011128 1 33 bmse011128 1 34 bmse011128 1 35 bmse011128 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 3.9184 bmse011128 1 2 1 3.9058 bmse011128 1 3 1 3.8938 bmse011128 1 4 1 3.8812 bmse011128 1 5 1 8.7094 bmse011128 1 6 1 4.6500 bmse011128 1 7 1 2.1713 bmse011128 1 8 1 2.1601 bmse011128 1 9 1 2.1486 bmse011128 1 10 1 2.1392 bmse011128 1 11 1 2.1275 bmse011128 1 12 1 2.1161 bmse011128 1 13 1 2.0914 bmse011128 1 14 1 2.0826 bmse011128 1 15 1 2.0710 bmse011128 1 16 1 2.0622 bmse011128 1 17 1 2.5968 bmse011128 1 18 1 2.5998 bmse011128 1 19 1 2.6029 bmse011128 1 20 1 2.6060 bmse011128 1 21 1 2.6093 bmse011128 1 22 1 0.8088 bmse011128 1 23 1 0.8208 bmse011128 1 24 1 1.1519 bmse011128 1 25 1 1.1631 bmse011128 1 26 1 1.6724 bmse011128 1 27 1 1.6671 bmse011128 1 28 1 1.6616 bmse011128 1 29 1 1.6515 bmse011128 1 30 1 1.6464 bmse011128 1 31 1 1.6405 bmse011128 1 32 1 1.6330 bmse011128 1 33 1 1.6295 bmse011128 1 34 1 1.6200 bmse011128 1 35 1 2.7164 bmse011128 1 stop_ save_