######################### # 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 bmse011682 _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 bmse011682 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 bmse011682 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011682 1 2 bmse011682 1 3 bmse011682 1 4 bmse011682 1 5 bmse011682 1 6 bmse011682 1 7 bmse011682 1 8 bmse011682 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 1.4218 12_m bmse011682 1 2 1 2.4201 8_m bmse011682 1 3 1 4.6500 SUP bmse011682 1 4 1 1.2146 14,15,16_Q1 bmse011682 1 5 1 2.7621 6,7_m_Q2 bmse011682 1 6 1 2.6029 DMSO bmse011682 1 7 1 3.8602 6,7_m_Q3 bmse011682 1 8 1 1.7499 11_m bmse011682 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 6.0050 bmse011682 1 2 2 1 3.9339 bmse011682 1 3 3 1 0.0000 bmse011682 1 4 4 1 0.0000 bmse011682 1 5 5 1 110.5296 bmse011682 1 6 6 1 1.9807 bmse011682 1 7 7 1 88.1926 bmse011682 1 8 8 1 6.4373 bmse011682 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011682 1 2 bmse011682 1 3 bmse011682 1 4 bmse011682 1 5 bmse011682 1 6 bmse011682 1 7 bmse011682 1 8 bmse011682 1 9 bmse011682 1 10 bmse011682 1 11 bmse011682 1 12 bmse011682 1 13 bmse011682 1 14 bmse011682 1 15 bmse011682 1 16 bmse011682 1 17 bmse011682 1 18 bmse011682 1 19 bmse011682 1 20 bmse011682 1 21 bmse011682 1 22 bmse011682 1 23 bmse011682 1 24 bmse011682 1 25 bmse011682 1 26 bmse011682 1 27 bmse011682 1 28 bmse011682 1 29 bmse011682 1 30 bmse011682 1 31 bmse011682 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 1.4568 bmse011682 1 2 1 1.4500 bmse011682 1 3 1 1.4357 bmse011682 1 4 1 1.4291 bmse011682 1 5 1 1.4148 bmse011682 1 6 1 1.4082 bmse011682 1 7 1 1.3935 bmse011682 1 8 1 1.3868 bmse011682 1 9 1 2.4463 bmse011682 1 10 1 2.4401 bmse011682 1 11 1 2.4338 bmse011682 1 12 1 2.4263 bmse011682 1 13 1 2.4201 bmse011682 1 14 1 2.4140 bmse011682 1 15 1 2.4063 bmse011682 1 16 1 2.4001 bmse011682 1 17 1 2.3939 bmse011682 1 18 1 4.6500 bmse011682 1 19 1 1.2146 bmse011682 1 20 1 2.8542 bmse011682 1 21 1 2.6701 bmse011682 1 22 1 2.5963 bmse011682 1 23 1 2.6000 bmse011682 1 24 1 2.6029 bmse011682 1 25 1 2.6056 bmse011682 1 26 1 2.6095 bmse011682 1 27 1 3.9337 bmse011682 1 28 1 3.7867 bmse011682 1 29 1 1.7606 bmse011682 1 30 1 1.7584 bmse011682 1 31 1 1.7391 bmse011682 1 stop_ save_