######################### # 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 bmse011155 _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 bmse011155 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 bmse011155 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011155 1 2 bmse011155 1 3 bmse011155 1 4 bmse011155 1 5 bmse011155 1 6 bmse011155 1 7 bmse011155 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 1.9619 m_3H bmse011155 1 2 1 4.6500 SUP bmse011155 1 3 1 3.9083 m_1H bmse011155 1 4 1 3.3725 m_2H_Q1 bmse011155 1 5 1 1.4871 m_2H bmse011155 1 6 1 2.6029 DMSO bmse011155 1 7 1 1.3272 m_2H bmse011155 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 bmse011155 1 2 2 1 0.0000 bmse011155 1 3 3 1 5.3369 bmse011155 1 4 4 1 7.8568 bmse011155 1 5 5 1 11.0590 bmse011155 1 6 6 1 0.0000 bmse011155 1 7 7 1 4.2215 bmse011155 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011155 1 2 bmse011155 1 3 bmse011155 1 4 bmse011155 1 5 bmse011155 1 6 bmse011155 1 7 bmse011155 1 8 bmse011155 1 9 bmse011155 1 10 bmse011155 1 11 bmse011155 1 12 bmse011155 1 13 bmse011155 1 14 bmse011155 1 15 bmse011155 1 16 bmse011155 1 17 bmse011155 1 18 bmse011155 1 19 bmse011155 1 20 bmse011155 1 21 bmse011155 1 22 bmse011155 1 23 bmse011155 1 24 bmse011155 1 25 bmse011155 1 26 bmse011155 1 27 bmse011155 1 28 bmse011155 1 29 bmse011155 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 1.9619 bmse011155 1 2 1 4.6500 bmse011155 1 3 1 3.9261 bmse011155 1 4 1 3.9180 bmse011155 1 5 1 3.9089 bmse011155 1 6 1 3.8990 bmse011155 1 7 1 3.8905 bmse011155 1 8 1 3.4052 bmse011155 1 9 1 3.4025 bmse011155 1 10 1 3.3827 bmse011155 1 11 1 3.3621 bmse011155 1 12 1 3.3425 bmse011155 1 13 1 3.3398 bmse011155 1 14 1 1.5056 bmse011155 1 15 1 1.4852 bmse011155 1 16 1 1.4687 bmse011155 1 17 1 2.6029 bmse011155 1 18 1 1.3659 bmse011155 1 19 1 1.3585 bmse011155 1 20 1 1.3516 bmse011155 1 21 1 1.3448 bmse011155 1 22 1 1.3378 bmse011155 1 23 1 1.3308 bmse011155 1 24 1 1.3239 bmse011155 1 25 1 1.3167 bmse011155 1 26 1 1.3097 bmse011155 1 27 1 1.3022 bmse011155 1 28 1 1.2951 bmse011155 1 29 1 1.2885 bmse011155 1 stop_ save_