######################### # 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 bmse011045 _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 bmse011045 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 bmse011045 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011045 1 2 bmse011045 1 3 bmse011045 1 4 bmse011045 1 5 bmse011045 1 6 bmse011045 1 7 bmse011045 1 8 bmse011045 1 9 bmse011045 1 10 bmse011045 1 11 bmse011045 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 2.6030 DMSO bmse011045 1 2 1 2.4852 Imp1 bmse011045 1 3 1 2.3292 m_4H bmse011045 1 4 1 2.1993 s_4H bmse011045 1 5 1 6.3929 s_1H bmse011045 1 6 1 1.0928 t_2H bmse011045 1 7 1 6.8823 m_2H bmse011045 1 8 1 3.2697 m_2H_Q1 bmse011045 1 9 1 3.5681 q_1H bmse011045 1 10 1 7.1403 m_2H bmse011045 1 11 1 2.7164 Imp2 bmse011045 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 1.9532 bmse011045 1 2 2 1 0.0000 bmse011045 1 3 3 1 0.0000 bmse011045 1 4 4 1 0.0000 bmse011045 1 5 5 1 0.0000 bmse011045 1 6 6 1 7.0975 bmse011045 1 7 7 1 8.4730 bmse011045 1 8 8 1 0.0000 bmse011045 1 9 9 1 7.0792 bmse011045 1 10 10 1 8.2530 bmse011045 1 11 11 1 0.0000 bmse011045 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011045 1 2 bmse011045 1 3 bmse011045 1 4 bmse011045 1 5 bmse011045 1 6 bmse011045 1 7 bmse011045 1 8 bmse011045 1 9 bmse011045 1 10 bmse011045 1 11 bmse011045 1 12 bmse011045 1 13 bmse011045 1 14 bmse011045 1 15 bmse011045 1 16 bmse011045 1 17 bmse011045 1 18 bmse011045 1 19 bmse011045 1 20 bmse011045 1 21 bmse011045 1 22 bmse011045 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 2.5965 bmse011045 1 2 1 2.6000 bmse011045 1 3 1 2.6029 bmse011045 1 4 1 2.6060 bmse011045 1 5 1 2.6095 bmse011045 1 6 1 2.4852 bmse011045 1 7 1 2.3292 bmse011045 1 8 1 2.1993 bmse011045 1 9 1 6.3929 bmse011045 1 10 1 1.0809 bmse011045 1 11 1 1.0927 bmse011045 1 12 1 1.1046 bmse011045 1 13 1 6.8752 bmse011045 1 14 1 6.8894 bmse011045 1 15 1 3.2697 bmse011045 1 16 1 3.5504 bmse011045 1 17 1 3.5622 bmse011045 1 18 1 3.5741 bmse011045 1 19 1 3.5858 bmse011045 1 20 1 7.1334 bmse011045 1 21 1 7.1471 bmse011045 1 22 1 2.7164 bmse011045 1 stop_ save_