######################### # 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 bmse011311 _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 bmse011311 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 bmse011311 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011311 1 2 bmse011311 1 3 bmse011311 1 4 bmse011311 1 5 bmse011311 1 6 bmse011311 1 7 bmse011311 1 8 bmse011311 1 9 bmse011311 1 10 bmse011311 1 11 bmse011311 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 3.0943 8_m bmse011311 1 2 1 1.9287 12_d bmse011311 1 3 1 4.6500 SUP bmse011311 1 4 1 2.8962 7_m bmse011311 1 5 1 1.5529 11,12_m_Q1 bmse011311 1 6 1 3.6788 7_d_Q3 bmse011311 1 7 1 1.7237 11_d_Q2 bmse011311 1 8 1 2.2938 18_s bmse011311 1 9 1 2.5897 DMSO_5_m bmse011311 1 10 1 7.1510 9,17_m bmse011311 1 11 1 7.3006 15,16_m bmse011311 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 5.8101 bmse011311 1 2 2 1 13.4248 bmse011311 1 3 3 1 0.0000 bmse011311 1 4 4 1 5.7220 bmse011311 1 5 5 1 120.0164 bmse011311 1 6 6 1 13.8650 bmse011311 1 7 7 1 12.2144 bmse011311 1 8 8 1 0.0000 bmse011311 1 9 9 1 91.9388 bmse011311 1 10 10 1 75.8196 bmse011311 1 11 11 1 61.9437 bmse011311 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011311 1 2 bmse011311 1 3 bmse011311 1 4 bmse011311 1 5 bmse011311 1 6 bmse011311 1 7 bmse011311 1 8 bmse011311 1 9 bmse011311 1 10 bmse011311 1 11 bmse011311 1 12 bmse011311 1 13 bmse011311 1 14 bmse011311 1 15 bmse011311 1 16 bmse011311 1 17 bmse011311 1 18 bmse011311 1 19 bmse011311 1 20 bmse011311 1 21 bmse011311 1 22 bmse011311 1 23 bmse011311 1 24 bmse011311 1 25 bmse011311 1 26 bmse011311 1 27 bmse011311 1 28 bmse011311 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 3.1185 bmse011311 1 2 1 3.1139 bmse011311 1 3 1 3.0959 bmse011311 1 4 1 3.0924 bmse011311 1 5 1 3.0746 bmse011311 1 6 1 3.0701 bmse011311 1 7 1 1.9175 bmse011311 1 8 1 1.9399 bmse011311 1 9 1 4.6500 bmse011311 1 10 1 2.9201 bmse011311 1 11 1 2.9153 bmse011311 1 12 1 2.8986 bmse011311 1 13 1 2.8939 bmse011311 1 14 1 2.8772 bmse011311 1 15 1 2.8724 bmse011311 1 16 1 1.6528 bmse011311 1 17 1 1.4529 bmse011311 1 18 1 3.6672 bmse011311 1 19 1 3.6903 bmse011311 1 20 1 1.7135 bmse011311 1 21 1 1.7338 bmse011311 1 22 1 2.2938 bmse011311 1 23 1 2.6663 bmse011311 1 24 1 2.5131 bmse011311 1 25 1 7.2141 bmse011311 1 26 1 7.0878 bmse011311 1 27 1 7.3522 bmse011311 1 28 1 7.2490 bmse011311 1 stop_ save_