######################### # 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 bmse011354 _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 bmse011354 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 bmse011354 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011354 1 2 bmse011354 1 3 bmse011354 1 4 bmse011354 1 5 bmse011354 1 6 bmse011354 1 7 bmse011354 1 8 bmse011354 1 9 bmse011354 1 10 bmse011354 1 13 bmse011354 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 4.6500 SUP bmse011354 1 2 1 2.7695 Imp2_11,12_m bmse011354 1 3 1 2.8957 16_s_Q3 bmse011354 1 4 1 0.4256 8,9_m bmse011354 1 5 1 2.5043 10_m bmse011354 1 6 1 0.6656 8,9_m bmse011354 1 7 1 2.6029 DMSO bmse011354 1 8 1 3.6353 11,12_d bmse011354 1 9 1 1.8163 14,15_d_Q2 bmse011354 1 10 1 1.5935 14,15_ddd_Q1 bmse011354 1 11 1 2.2712 5_m bmse011354 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 0.0000 bmse011354 1 2 2 1 91.0633 bmse011354 1 3 3 1 0.0000 bmse011354 1 4 4 1 3.1471 bmse011354 1 5 5 1 3.0949 bmse011354 1 6 6 1 4.7592 bmse011354 1 7 7 1 1.9807 bmse011354 1 8 8 1 12.3244 bmse011354 1 9 9 1 11.0039 bmse011354 1 10 10 1 25.0890 bmse011354 1 11 10 1 12.5995 bmse011354 1 12 10 1 4.1265 bmse011354 1 13 11 1 3.4968 bmse011354 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011354 1 2 bmse011354 1 3 bmse011354 1 4 bmse011354 1 5 bmse011354 1 6 bmse011354 1 7 bmse011354 1 8 bmse011354 1 9 bmse011354 1 10 bmse011354 1 11 bmse011354 1 12 bmse011354 1 13 bmse011354 1 14 bmse011354 1 15 bmse011354 1 16 bmse011354 1 17 bmse011354 1 18 bmse011354 1 19 bmse011354 1 20 bmse011354 1 21 bmse011354 1 22 bmse011354 1 23 bmse011354 1 24 bmse011354 1 25 bmse011354 1 26 bmse011354 1 27 bmse011354 1 28 bmse011354 1 29 bmse011354 1 30 bmse011354 1 31 bmse011354 1 32 bmse011354 1 33 bmse011354 1 34 bmse011354 1 35 bmse011354 1 36 bmse011354 1 37 bmse011354 1 38 bmse011354 1 39 bmse011354 1 40 bmse011354 1 41 bmse011354 1 42 bmse011354 1 43 bmse011354 1 44 bmse011354 1 45 bmse011354 1 46 bmse011354 1 47 bmse011354 1 48 bmse011354 1 49 bmse011354 1 50 bmse011354 1 51 bmse011354 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 4.6500 bmse011354 1 2 1 2.8454 bmse011354 1 3 1 2.6937 bmse011354 1 4 1 2.8957 bmse011354 1 5 1 0.4387 bmse011354 1 6 1 0.4310 bmse011354 1 7 1 0.4269 bmse011354 1 8 1 0.4242 bmse011354 1 9 1 0.4211 bmse011354 1 10 1 0.4124 bmse011354 1 11 1 2.5250 bmse011354 1 12 1 2.5191 bmse011354 1 13 1 2.5132 bmse011354 1 14 1 2.5129 bmse011354 1 15 1 2.5072 bmse011354 1 16 1 2.5015 bmse011354 1 17 1 2.4955 bmse011354 1 18 1 2.4896 bmse011354 1 19 1 2.4837 bmse011354 1 20 1 0.6814 bmse011354 1 21 1 0.6699 bmse011354 1 22 1 0.6609 bmse011354 1 23 1 0.6579 bmse011354 1 24 1 0.6497 bmse011354 1 25 1 2.5963 bmse011354 1 26 1 2.6003 bmse011354 1 27 1 2.6031 bmse011354 1 28 1 2.6062 bmse011354 1 29 1 2.6095 bmse011354 1 30 1 3.6251 bmse011354 1 31 1 3.6456 bmse011354 1 32 1 1.8072 bmse011354 1 33 1 1.8255 bmse011354 1 34 1 1.6284 bmse011354 1 35 1 1.6214 bmse011354 1 36 1 1.6075 bmse011354 1 37 1 1.6007 bmse011354 1 38 1 1.5866 bmse011354 1 39 1 1.5800 bmse011354 1 40 1 1.5657 bmse011354 1 41 1 1.5585 bmse011354 1 42 1 2.2974 bmse011354 1 43 1 2.2910 bmse011354 1 44 1 2.2848 bmse011354 1 45 1 2.2773 bmse011354 1 46 1 2.2712 bmse011354 1 47 1 2.2650 bmse011354 1 48 1 2.2644 bmse011354 1 49 1 2.2573 bmse011354 1 50 1 2.2511 bmse011354 1 51 1 2.2450 bmse011354 1 stop_ save_