######################### # 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 bmse011076 _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 bmse011076 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 bmse011076 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011076 1 2 bmse011076 1 3 bmse011076 1 4 bmse011076 1 5 bmse011076 1 6 bmse011076 1 7 bmse011076 1 8 bmse011076 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 3.3684 13_t_Q3 bmse011076 1 2 1 2.6029 DMSO bmse011076 1 3 1 3.4335 14_t bmse011076 1 4 1 4.6500 SUP bmse011076 1 5 1 1.8080 16_quint_Q1 bmse011076 1 6 1 6.8812 9,10_m bmse011076 1 7 1 7.0168 11,12_m bmse011076 1 8 1 1.9140 15_quint_Q2 bmse011076 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 7.0425 bmse011076 1 2 2 1 1.8156 bmse011076 1 3 3 1 6.9325 bmse011076 1 4 4 1 0.0000 bmse011076 1 5 5 1 6.9050 bmse011076 1 6 6 1 2.7070 bmse011076 1 7 7 1 4.4016 bmse011076 1 8 8 1 6.8499 bmse011076 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011076 1 2 bmse011076 1 3 bmse011076 1 4 bmse011076 1 5 bmse011076 1 6 bmse011076 1 7 bmse011076 1 8 bmse011076 1 9 bmse011076 1 10 bmse011076 1 11 bmse011076 1 12 bmse011076 1 13 bmse011076 1 14 bmse011076 1 15 bmse011076 1 16 bmse011076 1 17 bmse011076 1 18 bmse011076 1 19 bmse011076 1 20 bmse011076 1 21 bmse011076 1 22 bmse011076 1 23 bmse011076 1 24 bmse011076 1 25 bmse011076 1 26 bmse011076 1 27 bmse011076 1 28 bmse011076 1 29 bmse011076 1 30 bmse011076 1 31 bmse011076 1 32 bmse011076 1 33 bmse011076 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 3.3566 bmse011076 1 2 1 3.3684 bmse011076 1 3 1 3.3801 bmse011076 1 4 1 2.5968 bmse011076 1 5 1 2.5998 bmse011076 1 6 1 2.6029 bmse011076 1 7 1 2.6060 bmse011076 1 8 1 2.6089 bmse011076 1 9 1 3.4219 bmse011076 1 10 1 3.4335 bmse011076 1 11 1 3.4450 bmse011076 1 12 1 4.6500 bmse011076 1 13 1 1.7850 bmse011076 1 14 1 1.7964 bmse011076 1 15 1 1.8079 bmse011076 1 16 1 1.8195 bmse011076 1 17 1 1.8310 bmse011076 1 18 1 6.8925 bmse011076 1 19 1 6.8853 bmse011076 1 20 1 6.8811 bmse011076 1 21 1 6.8773 bmse011076 1 22 1 6.8740 bmse011076 1 23 1 6.8699 bmse011076 1 24 1 7.0315 bmse011076 1 25 1 7.0278 bmse011076 1 26 1 7.0166 bmse011076 1 27 1 7.0062 bmse011076 1 28 1 7.0021 bmse011076 1 29 1 1.8911 bmse011076 1 30 1 1.9025 bmse011076 1 31 1 1.9139 bmse011076 1 32 1 1.9252 bmse011076 1 33 1 1.9368 bmse011076 1 stop_ save_