######################### # 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 bmse011266 _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 bmse011266 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 bmse011266 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011266 1 2 bmse011266 1 3 bmse011266 1 4 bmse011266 1 5 bmse011266 1 6 bmse011266 1 7 bmse011266 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 7.0825 4,5_m_Q3 bmse011266 1 2 1 3.1309 11,12_m_Q2 bmse011266 1 3 1 7.3563 6,7_m bmse011266 1 4 1 4.6500 SUP bmse011266 1 5 1 1.5431 15_d_Q1 bmse011266 1 6 1 3.8292 13,14_m bmse011266 1 7 1 2.6033 DMSO bmse011266 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 2.8610 bmse011266 1 2 2 1 4.8417 bmse011266 1 3 3 1 2.9270 bmse011266 1 4 4 1 0.0000 bmse011266 1 5 5 1 6.8224 bmse011266 1 6 6 1 4.7867 bmse011266 1 7 7 1 1.8707 bmse011266 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011266 1 2 bmse011266 1 3 bmse011266 1 4 bmse011266 1 5 bmse011266 1 6 bmse011266 1 7 bmse011266 1 8 bmse011266 1 9 bmse011266 1 10 bmse011266 1 11 bmse011266 1 12 bmse011266 1 13 bmse011266 1 14 bmse011266 1 15 bmse011266 1 16 bmse011266 1 17 bmse011266 1 18 bmse011266 1 19 bmse011266 1 20 bmse011266 1 21 bmse011266 1 22 bmse011266 1 23 bmse011266 1 24 bmse011266 1 25 bmse011266 1 26 bmse011266 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 7.0705 bmse011266 1 2 1 7.0753 bmse011266 1 3 1 7.0788 bmse011266 1 4 1 7.0861 bmse011266 1 5 1 7.0898 bmse011266 1 6 1 7.0943 bmse011266 1 7 1 3.1390 bmse011266 1 8 1 3.1309 bmse011266 1 9 1 3.1229 bmse011266 1 10 1 7.3444 bmse011266 1 11 1 7.3492 bmse011266 1 12 1 7.3529 bmse011266 1 13 1 7.3598 bmse011266 1 14 1 7.3635 bmse011266 1 15 1 7.3688 bmse011266 1 16 1 4.6500 bmse011266 1 17 1 1.5375 bmse011266 1 18 1 1.5488 bmse011266 1 19 1 3.8372 bmse011266 1 20 1 3.8293 bmse011266 1 21 1 3.8212 bmse011266 1 22 1 2.5970 bmse011266 1 23 1 2.6000 bmse011266 1 24 1 2.6029 bmse011266 1 25 1 2.6060 bmse011266 1 26 1 2.6095 bmse011266 1 stop_ save_