######################### # 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 bmse011626 _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 bmse011626 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 bmse011626 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011626 1 2 bmse011626 1 3 bmse011626 1 4 bmse011626 1 5 bmse011626 1 7 bmse011626 1 8 bmse011626 1 9 bmse011626 1 10 bmse011626 1 11 bmse011626 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 1.3182 t_3H bmse011626 1 2 1 4.6500 SUP bmse011626 1 3 1 7.4929 m_2H bmse011626 1 4 1 4.0662 q_1H bmse011626 1 5 1 8.6020 dd_1H bmse011626 1 6 1 8.7828 d_1H bmse011626 1 7 1 2.7901 s_1H bmse011626 1 8 1 2.6027 DMSO bmse011626 1 9 1 8.0966 m_1H bmse011626 1 10 1 7.6176 s_1H_Q1 bmse011626 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 7.3726 bmse011626 1 2 2 1 0.0000 bmse011626 1 3 3 1 6.4923 bmse011626 1 4 4 1 7.3360 bmse011626 1 5 5 1 4.9518 bmse011626 1 6 5 1 1.2104 bmse011626 1 7 6 1 1.9807 bmse011626 1 8 7 1 0.0000 bmse011626 1 9 8 1 1.9807 bmse011626 1 10 9 1 2.3108 bmse011626 1 11 10 1 0.0000 bmse011626 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011626 1 2 bmse011626 1 3 bmse011626 1 4 bmse011626 1 5 bmse011626 1 6 bmse011626 1 7 bmse011626 1 8 bmse011626 1 9 bmse011626 1 10 bmse011626 1 11 bmse011626 1 12 bmse011626 1 13 bmse011626 1 14 bmse011626 1 15 bmse011626 1 16 bmse011626 1 17 bmse011626 1 18 bmse011626 1 19 bmse011626 1 20 bmse011626 1 21 bmse011626 1 22 bmse011626 1 23 bmse011626 1 24 bmse011626 1 25 bmse011626 1 26 bmse011626 1 27 bmse011626 1 28 bmse011626 1 29 bmse011626 1 30 bmse011626 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 1.3059 bmse011626 1 2 1 1.3182 bmse011626 1 3 1 1.3305 bmse011626 1 4 1 4.6500 bmse011626 1 5 1 7.5038 bmse011626 1 6 1 7.4909 bmse011626 1 7 1 7.4821 bmse011626 1 8 1 4.0479 bmse011626 1 9 1 4.0601 bmse011626 1 10 1 4.0722 bmse011626 1 11 1 4.0845 bmse011626 1 12 1 8.6071 bmse011626 1 13 1 8.6051 bmse011626 1 14 1 8.5989 bmse011626 1 15 1 8.5969 bmse011626 1 16 1 8.7811 bmse011626 1 17 1 8.7844 bmse011626 1 18 1 2.7901 bmse011626 1 19 1 2.5961 bmse011626 1 20 1 2.5998 bmse011626 1 21 1 2.6027 bmse011626 1 22 1 2.6055 bmse011626 1 23 1 2.6093 bmse011626 1 24 1 8.1062 bmse011626 1 25 1 8.1033 bmse011626 1 26 1 8.1004 bmse011626 1 27 1 8.0929 bmse011626 1 28 1 8.0899 bmse011626 1 29 1 8.0870 bmse011626 1 30 1 7.6176 bmse011626 1 stop_ save_