######################### # 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 bmse011150 _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 bmse011150 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 bmse011150 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011150 1 2 bmse011150 1 3 bmse011150 1 4 bmse011150 1 5 bmse011150 1 6 bmse011150 1 7 bmse011150 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 7.2821 15_m bmse011150 1 2 1 4.6500 SUP bmse011150 1 3 1 2.6106 DMSO_5_m bmse011150 1 4 1 3.4566 6_m_Q3 bmse011150 1 5 1 2.8405 12_s_Q2 bmse011150 1 6 1 6.7685 9,13,14_m bmse011150 1 7 1 1.9939 5_ddd_Q1 bmse011150 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 7.9228 bmse011150 1 2 2 1 0.0000 bmse011150 1 3 3 1 70.8969 bmse011150 1 4 4 1 80.3444 bmse011150 1 5 5 1 0.0000 bmse011150 1 6 6 1 103.6460 bmse011150 1 7 7 1 16.5609 bmse011150 1 8 7 1 13.4248 bmse011150 1 9 7 1 7.4277 bmse011150 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011150 1 2 bmse011150 1 3 bmse011150 1 4 bmse011150 1 5 bmse011150 1 6 bmse011150 1 7 bmse011150 1 8 bmse011150 1 9 bmse011150 1 10 bmse011150 1 11 bmse011150 1 12 bmse011150 1 13 bmse011150 1 14 bmse011150 1 15 bmse011150 1 16 bmse011150 1 17 bmse011150 1 18 bmse011150 1 19 bmse011150 1 20 bmse011150 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 7.3019 bmse011150 1 2 1 7.2887 bmse011150 1 3 1 7.2764 bmse011150 1 4 1 7.2623 bmse011150 1 5 1 4.6500 bmse011150 1 6 1 2.6697 bmse011150 1 7 1 2.5516 bmse011150 1 8 1 3.5235 bmse011150 1 9 1 3.3897 bmse011150 1 10 1 2.8405 bmse011150 1 11 1 6.8548 bmse011150 1 12 1 6.6821 bmse011150 1 13 1 2.0252 bmse011150 1 14 1 2.0127 bmse011150 1 15 1 2.0021 bmse011150 1 16 1 1.9903 bmse011150 1 17 1 1.9973 bmse011150 1 18 1 1.9846 bmse011150 1 19 1 1.9753 bmse011150 1 20 1 1.9626 bmse011150 1 stop_ save_