######################### # 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 bmse011689 _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 bmse011689 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 bmse011689 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011689 1 2 bmse011689 1 3 bmse011689 1 4 bmse011689 1 5 bmse011689 1 6 bmse011689 1 7 bmse011689 1 8 bmse011689 1 9 bmse011689 1 10 bmse011689 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 bmse011689 1 2 1 4.2378 s_1H bmse011689 1 3 1 2.6028 DMSO bmse011689 1 4 1 4.1617 s_1H bmse011689 1 5 1 7.4047 t_1H bmse011689 1 6 1 6.4361 m_1H bmse011689 1 7 1 7.5311 d_1H bmse011689 1 8 1 2.7162 Imp2 bmse011689 1 9 1 6.5504 d_1H_Q1 bmse011689 1 10 1 7.1659 m_4H bmse011689 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 bmse011689 1 2 2 1 0.0000 bmse011689 1 3 3 1 1.9532 bmse011689 1 4 4 1 0.0000 bmse011689 1 5 5 1 7.0975 bmse011689 1 6 6 1 2.5309 bmse011689 1 7 7 1 1.5406 bmse011689 1 8 8 1 0.0000 bmse011689 1 9 9 1 3.3012 bmse011689 1 10 10 1 9.1058 bmse011689 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011689 1 2 bmse011689 1 3 bmse011689 1 4 bmse011689 1 5 bmse011689 1 6 bmse011689 1 7 bmse011689 1 8 bmse011689 1 9 bmse011689 1 10 bmse011689 1 11 bmse011689 1 12 bmse011689 1 13 bmse011689 1 14 bmse011689 1 15 bmse011689 1 16 bmse011689 1 17 bmse011689 1 18 bmse011689 1 19 bmse011689 1 20 bmse011689 1 21 bmse011689 1 22 bmse011689 1 23 bmse011689 1 24 bmse011689 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 bmse011689 1 2 1 4.2378 bmse011689 1 3 1 2.5963 bmse011689 1 4 1 2.5998 bmse011689 1 5 1 2.6029 bmse011689 1 6 1 2.6058 bmse011689 1 7 1 2.6093 bmse011689 1 8 1 4.1617 bmse011689 1 9 1 7.3928 bmse011689 1 10 1 7.4049 bmse011689 1 11 1 7.4165 bmse011689 1 12 1 6.4403 bmse011689 1 13 1 6.4370 bmse011689 1 14 1 6.4319 bmse011689 1 15 1 7.5298 bmse011689 1 16 1 7.5324 bmse011689 1 17 1 2.7162 bmse011689 1 18 1 6.5476 bmse011689 1 19 1 6.5531 bmse011689 1 20 1 7.1963 bmse011689 1 21 1 7.1838 bmse011689 1 22 1 7.1633 bmse011689 1 23 1 7.1514 bmse011689 1 24 1 7.1356 bmse011689 1 stop_ save_