######################### # 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 bmse011135 _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 bmse011135 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 bmse011135 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011135 1 4 bmse011135 1 5 bmse011135 1 6 bmse011135 1 7 bmse011135 1 8 bmse011135 1 9 bmse011135 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 1.5483 7_ddd bmse011135 1 2 1 1.4289 6_m bmse011135 1 3 1 3.1407 4_m_Q1 bmse011135 1 4 1 4.6500 SUP bmse011135 1 5 1 2.6599 DMSO_4_m bmse011135 1 6 1 2.0415 6,7,10_m bmse011135 1 7 1 3.4015 3_m_Q2 bmse011135 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 24.7038 bmse011135 1 2 1 1 12.5445 bmse011135 1 3 1 1 4.5116 bmse011135 1 4 2 1 5.9736 bmse011135 1 5 3 1 7.4001 bmse011135 1 6 4 1 0.0000 bmse011135 1 7 5 1 104.7629 bmse011135 1 8 6 1 87.3492 bmse011135 1 9 7 1 3.9752 bmse011135 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011135 1 2 bmse011135 1 3 bmse011135 1 4 bmse011135 1 5 bmse011135 1 6 bmse011135 1 7 bmse011135 1 8 bmse011135 1 9 bmse011135 1 10 bmse011135 1 11 bmse011135 1 12 bmse011135 1 13 bmse011135 1 14 bmse011135 1 15 bmse011135 1 16 bmse011135 1 17 bmse011135 1 18 bmse011135 1 19 bmse011135 1 20 bmse011135 1 21 bmse011135 1 22 bmse011135 1 23 bmse011135 1 24 bmse011135 1 25 bmse011135 1 26 bmse011135 1 27 bmse011135 1 28 bmse011135 1 29 bmse011135 1 30 bmse011135 1 31 bmse011135 1 32 bmse011135 1 33 bmse011135 1 34 bmse011135 1 35 bmse011135 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 1.5831 bmse011135 1 2 1 1.5756 bmse011135 1 3 1 1.5622 bmse011135 1 4 1 1.5549 bmse011135 1 5 1 1.5420 bmse011135 1 6 1 1.5345 bmse011135 1 7 1 1.5211 bmse011135 1 8 1 1.5134 bmse011135 1 9 1 1.4638 bmse011135 1 10 1 1.4562 bmse011135 1 11 1 1.4429 bmse011135 1 12 1 1.4355 bmse011135 1 13 1 1.4225 bmse011135 1 14 1 1.4152 bmse011135 1 15 1 1.4018 bmse011135 1 16 1 1.3941 bmse011135 1 17 1 3.1654 bmse011135 1 18 1 3.1610 bmse011135 1 19 1 3.1408 bmse011135 1 20 1 3.1207 bmse011135 1 21 1 3.1161 bmse011135 1 22 1 4.6500 bmse011135 1 23 1 2.7471 bmse011135 1 24 1 2.5726 bmse011135 1 25 1 2.1143 bmse011135 1 26 1 1.9687 bmse011135 1 27 1 3.4280 bmse011135 1 28 1 3.4210 bmse011135 1 29 1 3.4138 bmse011135 1 30 1 3.4085 bmse011135 1 31 1 3.4014 bmse011135 1 32 1 3.3944 bmse011135 1 33 1 3.3891 bmse011135 1 34 1 3.3819 bmse011135 1 35 1 3.3750 bmse011135 1 stop_ save_