######################### # 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 bmse011260 _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 bmse011260 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 bmse011260 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011260 1 2 bmse011260 1 3 bmse011260 1 4 bmse011260 1 6 bmse011260 1 7 bmse011260 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 7.3729 9,10,11,12,1 bmse011260 1 2 1 2.6032 DMSO bmse011260 1 3 1 3.5316 2_m_Q2 bmse011260 1 4 1 3.7274 2_dd_Q3 bmse011260 1 5 1 3.0503 7_s_Q1 bmse011260 1 6 1 4.6500 SUP bmse011260 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 78.8321 bmse011260 1 2 2 1 1.9532 bmse011260 1 3 3 1 10.2337 bmse011260 1 4 4 1 14.5252 bmse011260 1 5 4 1 9.6835 bmse011260 1 6 5 1 0.0000 bmse011260 1 7 6 1 0.0000 bmse011260 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011260 1 2 bmse011260 1 3 bmse011260 1 4 bmse011260 1 5 bmse011260 1 6 bmse011260 1 7 bmse011260 1 8 bmse011260 1 9 bmse011260 1 10 bmse011260 1 11 bmse011260 1 12 bmse011260 1 13 bmse011260 1 14 bmse011260 1 15 bmse011260 1 16 bmse011260 1 17 bmse011260 1 18 bmse011260 1 19 bmse011260 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 7.4386 bmse011260 1 2 1 7.3073 bmse011260 1 3 1 2.5967 bmse011260 1 4 1 2.6001 bmse011260 1 5 1 2.6031 bmse011260 1 6 1 2.6062 bmse011260 1 7 1 2.6097 bmse011260 1 8 1 3.5743 bmse011260 1 9 1 3.5625 bmse011260 1 10 1 3.5185 bmse011260 1 11 1 3.5134 bmse011260 1 12 1 3.4947 bmse011260 1 13 1 3.4890 bmse011260 1 14 1 3.7475 bmse011260 1 15 1 3.7314 bmse011260 1 16 1 3.7233 bmse011260 1 17 1 3.7072 bmse011260 1 18 1 3.0503 bmse011260 1 19 1 4.6500 bmse011260 1 stop_ save_