######################### # 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 bmse011498 _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 bmse011498 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 bmse011498 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011498 1 2 bmse011498 1 3 bmse011498 1 4 bmse011498 1 5 bmse011498 1 6 bmse011498 1 7 bmse011498 1 8 bmse011498 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 2.6029 DMSO bmse011498 1 2 1 4.6500 SUP bmse011498 1 3 1 1.6710 9,10_m bmse011498 1 4 1 3.3136 5_m_Q3 bmse011498 1 5 1 2.7217 7,8_m_Q2 bmse011498 1 6 1 3.8209 3_s bmse011498 1 7 1 1.4275 11,12,13,14 bmse011498 1 8 1 1.9360 11,12_m_Q1 bmse011498 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 1.9807 bmse011498 1 2 2 1 0.0000 bmse011498 1 3 3 1 124.9849 bmse011498 1 4 4 1 3.5350 bmse011498 1 5 5 1 47.8036 bmse011498 1 6 6 1 0.0000 bmse011498 1 7 7 1 145.5441 bmse011498 1 8 8 1 4.1540 bmse011498 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011498 1 2 bmse011498 1 3 bmse011498 1 4 bmse011498 1 5 bmse011498 1 6 bmse011498 1 7 bmse011498 1 8 bmse011498 1 9 bmse011498 1 10 bmse011498 1 11 bmse011498 1 12 bmse011498 1 13 bmse011498 1 14 bmse011498 1 15 bmse011498 1 16 bmse011498 1 17 bmse011498 1 18 bmse011498 1 19 bmse011498 1 20 bmse011498 1 21 bmse011498 1 22 bmse011498 1 23 bmse011498 1 24 bmse011498 1 25 bmse011498 1 26 bmse011498 1 27 bmse011498 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 2.5963 bmse011498 1 2 1 2.6001 bmse011498 1 3 1 2.6029 bmse011498 1 4 1 2.6062 bmse011498 1 5 1 2.6095 bmse011498 1 6 1 4.6500 bmse011498 1 7 1 1.7752 bmse011498 1 8 1 1.5669 bmse011498 1 9 1 3.3372 bmse011498 1 10 1 3.3311 bmse011498 1 11 1 3.3245 bmse011498 1 12 1 3.3198 bmse011498 1 13 1 3.3135 bmse011498 1 14 1 3.3075 bmse011498 1 15 1 3.3025 bmse011498 1 16 1 3.2961 bmse011498 1 17 1 3.2901 bmse011498 1 18 1 2.7616 bmse011498 1 19 1 2.6819 bmse011498 1 20 1 3.8209 bmse011498 1 21 1 1.5488 bmse011498 1 22 1 1.3063 bmse011498 1 23 1 1.9498 bmse011498 1 24 1 1.9443 bmse011498 1 25 1 1.9381 bmse011498 1 26 1 1.9302 bmse011498 1 27 1 1.9221 bmse011498 1 stop_ save_