######################### # 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 bmse011636 _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 bmse011636 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 bmse011636 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011636 1 2 bmse011636 1 3 bmse011636 1 4 bmse011636 1 5 bmse011636 1 8 bmse011636 1 11 bmse011636 1 12 bmse011636 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 3.1868 9,10_m bmse011636 1 2 1 3.3094 7,9,10_m bmse011636 1 3 1 3.6935 8,11,12,13_m bmse011636 1 4 1 4.6500 SUP bmse011636 1 5 1 1.5002 14_ddd_Q1 bmse011636 1 6 1 3.9316 13_ddd_Q3 bmse011636 1 7 1 1.8635 14,15_m_Q2 bmse011636 1 8 1 2.6025 DMSO bmse011636 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 1 100.7753 bmse011636 1 2 2 1 43.4589 bmse011636 1 3 3 1 118.2817 bmse011636 1 4 4 1 0.0000 bmse011636 1 5 5 1 15.1854 bmse011636 1 6 5 1 12.4895 bmse011636 1 7 5 1 7.4827 bmse011636 1 8 6 1 13.8374 bmse011636 1 9 6 1 6.9600 bmse011636 1 10 6 1 4.4841 bmse011636 1 11 7 1 125.1062 bmse011636 1 12 8 1 0.0000 bmse011636 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011636 1 2 bmse011636 1 3 bmse011636 1 4 bmse011636 1 5 bmse011636 1 6 bmse011636 1 7 bmse011636 1 8 bmse011636 1 9 bmse011636 1 10 bmse011636 1 11 bmse011636 1 12 bmse011636 1 13 bmse011636 1 14 bmse011636 1 15 bmse011636 1 16 bmse011636 1 17 bmse011636 1 18 bmse011636 1 19 bmse011636 1 20 bmse011636 1 21 bmse011636 1 22 bmse011636 1 23 bmse011636 1 24 bmse011636 1 25 bmse011636 1 26 bmse011636 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 3.2708 bmse011636 1 2 1 3.1029 bmse011636 1 3 1 3.3456 bmse011636 1 4 1 3.2732 bmse011636 1 5 1 3.7921 bmse011636 1 6 1 3.5950 bmse011636 1 7 1 4.6500 bmse011636 1 8 1 1.5294 bmse011636 1 9 1 1.5173 bmse011636 1 10 1 1.5085 bmse011636 1 11 1 1.4962 bmse011636 1 12 1 1.5045 bmse011636 1 13 1 1.4913 bmse011636 1 14 1 1.4834 bmse011636 1 15 1 1.4711 bmse011636 1 16 1 3.9527 bmse011636 1 17 1 3.9452 bmse011636 1 18 1 3.9410 bmse011636 1 19 1 3.9334 bmse011636 1 20 1 3.9294 bmse011636 1 21 1 3.9221 bmse011636 1 22 1 3.9180 bmse011636 1 23 1 3.9105 bmse011636 1 24 1 1.9678 bmse011636 1 25 1 1.7593 bmse011636 1 26 1 2.6025 bmse011636 1 stop_ save_