######################### # 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 bmse011086 _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 bmse011086 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 bmse011086 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011086 1 3 bmse011086 1 4 bmse011086 1 5 bmse011086 1 6 bmse011086 1 7 bmse011086 1 8 bmse011086 1 10 bmse011086 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 6.9601 dd_1H_Q1 bmse011086 1 2 1 2.4852 Imp1 bmse011086 1 3 1 1.2576 m_1H bmse011086 1 4 1 6.4158 m_1H bmse011086 1 5 1 2.3964 m_4H bmse011086 1 6 1 7.0312 m_1H bmse011086 1 7 1 7.3068 dd_1H bmse011086 1 8 1 2.6028 DMSO bmse011086 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 5.0618 bmse011086 1 2 1 1 3.5213 bmse011086 1 3 2 1 0.0000 bmse011086 1 4 3 1 3.2645 bmse011086 1 5 4 1 0.0000 bmse011086 1 6 5 1 0.0000 bmse011086 1 7 6 1 2.9711 bmse011086 1 8 7 1 5.0618 bmse011086 1 9 7 1 1.1004 bmse011086 1 10 8 1 1.8982 bmse011086 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011086 1 2 bmse011086 1 3 bmse011086 1 4 bmse011086 1 5 bmse011086 1 6 bmse011086 1 7 bmse011086 1 8 bmse011086 1 9 bmse011086 1 10 bmse011086 1 11 bmse011086 1 12 bmse011086 1 13 bmse011086 1 14 bmse011086 1 15 bmse011086 1 16 bmse011086 1 17 bmse011086 1 18 bmse011086 1 19 bmse011086 1 20 bmse011086 1 21 bmse011086 1 22 bmse011086 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 6.9673 bmse011086 1 2 1 6.9614 bmse011086 1 3 1 6.9589 bmse011086 1 4 1 6.9530 bmse011086 1 5 1 2.4852 bmse011086 1 6 1 1.2657 bmse011086 1 7 1 1.2604 bmse011086 1 8 1 1.2535 bmse011086 1 9 1 1.2494 bmse011086 1 10 1 6.4158 bmse011086 1 11 1 2.3964 bmse011086 1 12 1 7.0337 bmse011086 1 13 1 7.0287 bmse011086 1 14 1 7.3120 bmse011086 1 15 1 7.3101 bmse011086 1 16 1 7.3035 bmse011086 1 17 1 7.3017 bmse011086 1 18 1 2.5965 bmse011086 1 19 1 2.5998 bmse011086 1 20 1 2.6029 bmse011086 1 21 1 2.6060 bmse011086 1 22 1 2.6091 bmse011086 1 stop_ save_