######################### # 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 bmse011268 _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 bmse011268 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 bmse011268 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011268 1 2 bmse011268 1 4 bmse011268 1 6 bmse011268 1 7 bmse011268 1 9 bmse011268 1 10 bmse011268 1 12 bmse011268 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 bmse011268 1 2 1 6.7335 2_dd_Q3 bmse011268 1 3 1 6.7764 10_dd bmse011268 1 4 1 3.4236 8,9_q_Q2 bmse011268 1 5 1 6.8104 6_dd bmse011268 1 6 1 1.0200 11,12_t_Q1 bmse011268 1 7 1 7.3152 7_dd bmse011268 1 8 1 2.6032 DMSO bmse011268 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 bmse011268 1 2 2 1 2.2008 bmse011268 1 3 2 1 2.2008 bmse011268 1 4 3 1 8.2530 bmse011268 1 5 3 1 1.8707 bmse011268 1 6 4 1 7.2259 bmse011268 1 7 5 1 8.1429 bmse011268 1 8 5 1 1.8707 bmse011268 1 9 6 1 7.2076 bmse011268 1 10 7 1 8.1979 bmse011268 1 11 7 1 8.1979 bmse011268 1 12 8 1 1.9532 bmse011268 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011268 1 2 bmse011268 1 3 bmse011268 1 4 bmse011268 1 5 bmse011268 1 6 bmse011268 1 7 bmse011268 1 8 bmse011268 1 9 bmse011268 1 10 bmse011268 1 11 bmse011268 1 12 bmse011268 1 13 bmse011268 1 14 bmse011268 1 15 bmse011268 1 16 bmse011268 1 17 bmse011268 1 18 bmse011268 1 19 bmse011268 1 20 bmse011268 1 21 bmse011268 1 22 bmse011268 1 23 bmse011268 1 24 bmse011268 1 25 bmse011268 1 26 bmse011268 1 27 bmse011268 1 28 bmse011268 1 29 bmse011268 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 bmse011268 1 2 1 6.7372 bmse011268 1 3 1 6.7335 bmse011268 1 4 1 6.7335 bmse011268 1 5 1 6.7299 bmse011268 1 6 1 6.7849 bmse011268 1 7 1 6.7817 bmse011268 1 8 1 6.7711 bmse011268 1 9 1 6.7680 bmse011268 1 10 1 3.4056 bmse011268 1 11 1 3.4177 bmse011268 1 12 1 3.4296 bmse011268 1 13 1 3.4417 bmse011268 1 14 1 6.8188 bmse011268 1 15 1 6.8157 bmse011268 1 16 1 6.8052 bmse011268 1 17 1 6.8021 bmse011268 1 18 1 1.0080 bmse011268 1 19 1 1.0201 bmse011268 1 20 1 1.0320 bmse011268 1 21 1 7.3288 bmse011268 1 22 1 7.3151 bmse011268 1 23 1 7.3151 bmse011268 1 24 1 7.3015 bmse011268 1 25 1 2.5967 bmse011268 1 26 1 2.6001 bmse011268 1 27 1 2.6031 bmse011268 1 28 1 2.6060 bmse011268 1 29 1 2.6097 bmse011268 1 stop_ save_