######################### # 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 bmse011478 _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 bmse011478 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 bmse011478 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011478 1 2 bmse011478 1 3 bmse011478 1 4 bmse011478 1 5 bmse011478 1 8 bmse011478 1 9 bmse011478 1 10 bmse011478 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 3.3775 5,7_m bmse011478 1 2 1 1.7416 11_m_Q1 bmse011478 1 3 1 2.6028 DMSO bmse011478 1 4 1 1.9164 10_m_Q2 bmse011478 1 5 1 2.1138 11_ddd bmse011478 1 6 1 3.0738 9_m_Q3 bmse011478 1 7 1 2.9569 6,9_m bmse011478 1 8 1 4.6500 SUP bmse011478 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 73.8043 bmse011478 1 2 2 1 2.6109 bmse011478 1 3 3 1 1.9532 bmse011478 1 4 4 1 3.9614 bmse011478 1 5 5 1 16.2308 bmse011478 1 6 5 1 13.4798 bmse011478 1 7 5 1 8.2530 bmse011478 1 8 6 1 5.8321 bmse011478 1 9 7 1 57.2824 bmse011478 1 10 8 1 0.0000 bmse011478 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011478 1 2 bmse011478 1 3 bmse011478 1 4 bmse011478 1 5 bmse011478 1 6 bmse011478 1 7 bmse011478 1 8 bmse011478 1 9 bmse011478 1 10 bmse011478 1 11 bmse011478 1 12 bmse011478 1 13 bmse011478 1 14 bmse011478 1 15 bmse011478 1 16 bmse011478 1 17 bmse011478 1 18 bmse011478 1 19 bmse011478 1 20 bmse011478 1 21 bmse011478 1 22 bmse011478 1 23 bmse011478 1 24 bmse011478 1 25 bmse011478 1 26 bmse011478 1 27 bmse011478 1 28 bmse011478 1 29 bmse011478 1 30 bmse011478 1 31 bmse011478 1 32 bmse011478 1 33 bmse011478 1 34 bmse011478 1 35 bmse011478 1 36 bmse011478 1 37 bmse011478 1 38 bmse011478 1 39 bmse011478 1 40 bmse011478 1 41 bmse011478 1 42 bmse011478 1 43 bmse011478 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 3.4390 bmse011478 1 2 1 3.3160 bmse011478 1 3 1 1.7655 bmse011478 1 4 1 1.7595 bmse011478 1 5 1 1.7589 bmse011478 1 6 1 1.7556 bmse011478 1 7 1 1.7494 bmse011478 1 8 1 1.7434 bmse011478 1 9 1 1.7368 bmse011478 1 10 1 1.7336 bmse011478 1 11 1 1.7278 bmse011478 1 12 1 1.7272 bmse011478 1 13 1 1.7237 bmse011478 1 14 1 1.7177 bmse011478 1 15 1 2.5963 bmse011478 1 16 1 2.6000 bmse011478 1 17 1 2.6029 bmse011478 1 18 1 2.6056 bmse011478 1 19 1 2.6093 bmse011478 1 20 1 1.9428 bmse011478 1 21 1 1.9397 bmse011478 1 22 1 1.9311 bmse011478 1 23 1 1.9282 bmse011478 1 24 1 1.9219 bmse011478 1 25 1 1.9164 bmse011478 1 26 1 1.9124 bmse011478 1 27 1 1.9016 bmse011478 1 28 1 1.8900 bmse011478 1 29 1 2.1454 bmse011478 1 30 1 2.1315 bmse011478 1 31 1 2.1229 bmse011478 1 32 1 2.1091 bmse011478 1 33 1 2.1183 bmse011478 1 34 1 2.1046 bmse011478 1 35 1 2.0958 bmse011478 1 36 1 2.0822 bmse011478 1 37 1 3.0884 bmse011478 1 38 1 3.0811 bmse011478 1 39 1 3.0666 bmse011478 1 40 1 3.0592 bmse011478 1 41 1 3.0046 bmse011478 1 42 1 2.9092 bmse011478 1 43 1 4.6500 bmse011478 1 stop_ save_