######################### # 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 bmse011608 _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 bmse011608 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 bmse011608 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011608 1 2 bmse011608 1 3 bmse011608 1 4 bmse011608 1 7 bmse011608 1 10 bmse011608 1 11 bmse011608 1 12 bmse011608 1 13 bmse011608 1 14 bmse011608 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 2.0671 8_m_Q1 bmse011608 1 2 1 3.9463 11_d bmse011608 1 3 1 4.6500 SUP bmse011608 1 4 1 3.2777 9_ddd_Q4 bmse011608 1 5 1 3.1290 9_ddd_Q3 bmse011608 1 6 1 3.8382 10_m bmse011608 1 7 1 1.9912 8_m_Q2 bmse011608 1 8 1 2.6031 DMSO bmse011608 1 9 1 3.5974 11,12,15_m bmse011608 1 10 1 2.7993 13,14_m bmse011608 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 6.7399 bmse011608 1 2 2 1 9.2433 bmse011608 1 3 3 1 0.0000 bmse011608 1 4 4 1 14.1401 bmse011608 1 5 4 1 6.9325 bmse011608 1 6 4 1 3.0261 bmse011608 1 7 5 1 14.1676 bmse011608 1 8 5 1 6.4098 bmse011608 1 9 5 1 3.0536 bmse011608 1 10 6 1 62.1784 bmse011608 1 11 7 1 6.9875 bmse011608 1 12 8 1 1.9807 bmse011608 1 13 9 1 99.5595 bmse011608 1 14 10 1 69.3086 bmse011608 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011608 1 2 bmse011608 1 3 bmse011608 1 4 bmse011608 1 5 bmse011608 1 6 bmse011608 1 7 bmse011608 1 8 bmse011608 1 9 bmse011608 1 10 bmse011608 1 11 bmse011608 1 12 bmse011608 1 13 bmse011608 1 14 bmse011608 1 15 bmse011608 1 16 bmse011608 1 17 bmse011608 1 18 bmse011608 1 19 bmse011608 1 20 bmse011608 1 21 bmse011608 1 22 bmse011608 1 23 bmse011608 1 24 bmse011608 1 25 bmse011608 1 26 bmse011608 1 27 bmse011608 1 28 bmse011608 1 29 bmse011608 1 30 bmse011608 1 31 bmse011608 1 32 bmse011608 1 33 bmse011608 1 34 bmse011608 1 35 bmse011608 1 36 bmse011608 1 37 bmse011608 1 38 bmse011608 1 39 bmse011608 1 40 bmse011608 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 2.0895 bmse011608 1 2 1 2.0774 bmse011608 1 3 1 2.0673 bmse011608 1 4 1 2.0562 bmse011608 1 5 1 2.0446 bmse011608 1 6 1 3.9386 bmse011608 1 7 1 3.9540 bmse011608 1 8 1 4.6500 bmse011608 1 9 1 3.2978 bmse011608 1 10 1 3.2926 bmse011608 1 11 1 3.2862 bmse011608 1 12 1 3.2811 bmse011608 1 13 1 3.2741 bmse011608 1 14 1 3.2692 bmse011608 1 15 1 3.2626 bmse011608 1 16 1 3.2576 bmse011608 1 17 1 3.1487 bmse011608 1 18 1 3.1438 bmse011608 1 19 1 3.1381 bmse011608 1 20 1 3.1331 bmse011608 1 21 1 3.1252 bmse011608 1 22 1 3.1201 bmse011608 1 23 1 3.1146 bmse011608 1 24 1 3.1093 bmse011608 1 25 1 3.8900 bmse011608 1 26 1 3.7864 bmse011608 1 27 1 2.0145 bmse011608 1 28 1 2.0026 bmse011608 1 29 1 1.9898 bmse011608 1 30 1 1.9815 bmse011608 1 31 1 1.9680 bmse011608 1 32 1 2.5965 bmse011608 1 33 1 2.6001 bmse011608 1 34 1 2.6031 bmse011608 1 35 1 2.6060 bmse011608 1 36 1 2.6097 bmse011608 1 37 1 3.6804 bmse011608 1 38 1 3.5145 bmse011608 1 39 1 2.8571 bmse011608 1 40 1 2.7416 bmse011608 1 stop_ save_