######################### # 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 bmse011471 _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 bmse011471 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 bmse011471 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011471 1 2 bmse011471 1 3 bmse011471 1 4 bmse011471 1 5 bmse011471 1 6 bmse011471 1 7 bmse011471 1 8 bmse011471 1 9 bmse011471 1 10 bmse011471 1 11 bmse011471 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 2.6037 DMSO bmse011471 1 2 1 7.9838 s_1H bmse011471 1 3 1 4.6500 SUP bmse011471 1 4 1 2.7173 Imp2 bmse011471 1 5 1 2.9052 m_2H bmse011471 1 6 1 1.9291 d_2H bmse011471 1 7 1 7.7810 s_1H bmse011471 1 8 1 3.6345 m_2H bmse011471 1 9 1 3.3632 m_2H bmse011471 1 10 1 1.8261 m_4H bmse011471 1 11 1 1.4954 m_6H_Q1 bmse011471 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 1.8982 bmse011471 1 2 2 1 0.0000 bmse011471 1 3 3 1 0.0000 bmse011471 1 4 4 1 0.0000 bmse011471 1 5 5 1 5.7661 bmse011471 1 6 6 1 14.5252 bmse011471 1 7 7 1 0.0000 bmse011471 1 8 8 1 2.9222 bmse011471 1 9 9 1 7.3726 bmse011471 1 10 10 1 15.6806 bmse011471 1 11 11 1 5.0968 bmse011471 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011471 1 2 bmse011471 1 3 bmse011471 1 4 bmse011471 1 5 bmse011471 1 6 bmse011471 1 7 bmse011471 1 8 bmse011471 1 9 bmse011471 1 10 bmse011471 1 11 bmse011471 1 12 bmse011471 1 13 bmse011471 1 14 bmse011471 1 15 bmse011471 1 16 bmse011471 1 17 bmse011471 1 18 bmse011471 1 19 bmse011471 1 20 bmse011471 1 21 bmse011471 1 22 bmse011471 1 23 bmse011471 1 24 bmse011471 1 25 bmse011471 1 26 bmse011471 1 27 bmse011471 1 28 bmse011471 1 29 bmse011471 1 30 bmse011471 1 31 bmse011471 1 32 bmse011471 1 33 bmse011471 1 34 bmse011471 1 35 bmse011471 1 36 bmse011471 1 37 bmse011471 1 38 bmse011471 1 39 bmse011471 1 40 bmse011471 1 41 bmse011471 1 42 bmse011471 1 43 bmse011471 1 44 bmse011471 1 45 bmse011471 1 46 bmse011471 1 47 bmse011471 1 48 bmse011471 1 49 bmse011471 1 50 bmse011471 1 51 bmse011471 1 52 bmse011471 1 53 bmse011471 1 54 bmse011471 1 55 bmse011471 1 56 bmse011471 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 2.5974 bmse011471 1 2 1 2.6005 bmse011471 1 3 1 2.6036 bmse011471 1 4 1 2.6069 bmse011471 1 5 1 2.6100 bmse011471 1 6 1 7.9838 bmse011471 1 7 1 4.6500 bmse011471 1 8 1 2.7173 bmse011471 1 9 1 2.9293 bmse011471 1 10 1 2.9243 bmse011471 1 11 1 2.9078 bmse011471 1 12 1 2.9028 bmse011471 1 13 1 2.8862 bmse011471 1 14 1 2.8812 bmse011471 1 15 1 1.9170 bmse011471 1 16 1 1.9412 bmse011471 1 17 1 7.7810 bmse011471 1 18 1 3.6564 bmse011471 1 19 1 3.6493 bmse011471 1 20 1 3.6443 bmse011471 1 21 1 3.6372 bmse011471 1 22 1 3.6304 bmse011471 1 23 1 3.6251 bmse011471 1 24 1 3.6247 bmse011471 1 25 1 3.6179 bmse011471 1 26 1 3.6170 bmse011471 1 27 1 3.6126 bmse011471 1 28 1 3.3755 bmse011471 1 29 1 3.3537 bmse011471 1 30 1 3.3509 bmse011471 1 31 1 1.8523 bmse011471 1 32 1 1.8295 bmse011471 1 33 1 1.8000 bmse011471 1 34 1 1.5888 bmse011471 1 35 1 1.5822 bmse011471 1 36 1 1.5732 bmse011471 1 37 1 1.5672 bmse011471 1 38 1 1.5615 bmse011471 1 39 1 1.5501 bmse011471 1 40 1 1.5452 bmse011471 1 41 1 1.5395 bmse011471 1 42 1 1.5266 bmse011471 1 43 1 1.5219 bmse011471 1 44 1 1.5167 bmse011471 1 45 1 1.5059 bmse011471 1 46 1 1.5008 bmse011471 1 47 1 1.4958 bmse011471 1 48 1 1.4799 bmse011471 1 49 1 1.4757 bmse011471 1 50 1 1.4709 bmse011471 1 51 1 1.4645 bmse011471 1 52 1 1.4469 bmse011471 1 53 1 1.4280 bmse011471 1 54 1 1.4231 bmse011471 1 55 1 1.4078 bmse011471 1 56 1 1.4020 bmse011471 1 stop_ save_