######################### # 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 bmse011338 _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 bmse011338 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 bmse011338 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011338 1 2 bmse011338 1 3 bmse011338 1 4 bmse011338 1 5 bmse011338 1 7 bmse011338 1 8 bmse011338 1 9 bmse011338 1 11 bmse011338 1 13 bmse011338 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 9.6980 5_m bmse011338 1 2 1 4.6500 SUP bmse011338 1 3 1 2.6033 DMSO bmse011338 1 4 1 1.1183 12_s_Q1 bmse011338 1 5 1 0.8331 1_dd bmse011338 1 6 1 1.0538 13_s bmse011338 1 7 1 7.3266 14,15,16,17 bmse011338 1 8 1 0.9870 3_dd bmse011338 1 9 1 1.6139 3_dd_Q2 bmse011338 1 10 1 2.0815 18_s_Q3 bmse011338 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 8.6381 bmse011338 1 2 2 1 0.0000 bmse011338 1 3 3 1 1.8156 bmse011338 1 4 4 1 0.0000 bmse011338 1 5 5 1 7.8678 bmse011338 1 6 5 1 4.5666 bmse011338 1 7 6 1 0.0000 bmse011338 1 8 7 1 78.5936 bmse011338 1 9 8 1 5.0068 bmse011338 1 10 8 1 5.0068 bmse011338 1 11 9 1 7.7578 bmse011338 1 12 9 1 5.6670 bmse011338 1 13 10 1 0.0000 bmse011338 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011338 1 2 bmse011338 1 3 bmse011338 1 4 bmse011338 1 5 bmse011338 1 6 bmse011338 1 7 bmse011338 1 8 bmse011338 1 9 bmse011338 1 10 bmse011338 1 11 bmse011338 1 12 bmse011338 1 13 bmse011338 1 14 bmse011338 1 15 bmse011338 1 16 bmse011338 1 17 bmse011338 1 18 bmse011338 1 19 bmse011338 1 20 bmse011338 1 21 bmse011338 1 22 bmse011338 1 23 bmse011338 1 24 bmse011338 1 25 bmse011338 1 26 bmse011338 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 9.7124 bmse011338 1 2 1 9.6856 bmse011338 1 3 1 9.6836 bmse011338 1 4 1 4.6500 bmse011338 1 5 1 2.5972 bmse011338 1 6 1 2.6001 bmse011338 1 7 1 2.6033 bmse011338 1 8 1 2.6064 bmse011338 1 9 1 2.6093 bmse011338 1 10 1 1.1183 bmse011338 1 11 1 0.8435 bmse011338 1 12 1 0.8358 bmse011338 1 13 1 0.8303 bmse011338 1 14 1 0.8228 bmse011338 1 15 1 1.0538 bmse011338 1 16 1 7.3921 bmse011338 1 17 1 7.2611 bmse011338 1 18 1 0.9953 bmse011338 1 19 1 0.9871 bmse011338 1 20 1 0.9871 bmse011338 1 21 1 0.9786 bmse011338 1 22 1 1.6251 bmse011338 1 23 1 1.6158 bmse011338 1 24 1 1.6123 bmse011338 1 25 1 1.6027 bmse011338 1 26 1 2.0815 bmse011338 1 stop_ save_