######################### # 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 bmse011346 _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 bmse011346 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 bmse011346 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011346 1 2 bmse011346 1 3 bmse011346 1 4 bmse011346 1 5 bmse011346 1 6 bmse011346 1 7 bmse011346 1 8 bmse011346 1 9 bmse011346 1 10 bmse011346 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 2.0140 16_m_Q1 bmse011346 1 2 1 4.6500 SUP bmse011346 1 3 1 7.5282 13,14_d bmse011346 1 4 1 1.9093 16,17_m bmse011346 1 5 1 4.0113 15_m bmse011346 1 6 1 2.7906 5_s bmse011346 1 7 1 3.8977 15_m bmse011346 1 8 1 7.7706 10,11_d_Q3 bmse011346 1 9 1 2.6032 DMSO bmse011346 1 10 1 2.3198 17_ddd_Q2 bmse011346 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 5.4286 bmse011346 1 2 2 1 0.0000 bmse011346 1 3 3 1 8.4730 bmse011346 1 4 4 1 63.3706 bmse011346 1 5 5 1 7.1526 bmse011346 1 6 6 1 0.0000 bmse011346 1 7 7 1 7.2626 bmse011346 1 8 8 1 8.4730 bmse011346 1 9 9 1 1.9532 bmse011346 1 10 10 1 15.4055 bmse011346 1 11 10 1 12.7095 bmse011346 1 12 10 1 7.4827 bmse011346 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011346 1 2 bmse011346 1 3 bmse011346 1 4 bmse011346 1 5 bmse011346 1 6 bmse011346 1 7 bmse011346 1 8 bmse011346 1 9 bmse011346 1 10 bmse011346 1 11 bmse011346 1 12 bmse011346 1 13 bmse011346 1 14 bmse011346 1 15 bmse011346 1 16 bmse011346 1 17 bmse011346 1 18 bmse011346 1 19 bmse011346 1 20 bmse011346 1 21 bmse011346 1 22 bmse011346 1 23 bmse011346 1 24 bmse011346 1 25 bmse011346 1 26 bmse011346 1 27 bmse011346 1 28 bmse011346 1 29 bmse011346 1 30 bmse011346 1 31 bmse011346 1 32 bmse011346 1 33 bmse011346 1 34 bmse011346 1 35 bmse011346 1 36 bmse011346 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 2.0411 bmse011346 1 2 1 2.0307 bmse011346 1 3 1 2.0288 bmse011346 1 4 1 2.0182 bmse011346 1 5 1 2.0078 bmse011346 1 6 1 1.9969 bmse011346 1 7 1 1.9868 bmse011346 1 8 1 4.6500 bmse011346 1 9 1 7.5212 bmse011346 1 10 1 7.5353 bmse011346 1 11 1 1.9621 bmse011346 1 12 1 1.8565 bmse011346 1 13 1 4.0292 bmse011346 1 14 1 4.0178 bmse011346 1 15 1 4.0044 bmse011346 1 16 1 3.9934 bmse011346 1 17 1 2.7906 bmse011346 1 18 1 3.9158 bmse011346 1 19 1 3.9045 bmse011346 1 20 1 3.8911 bmse011346 1 21 1 3.8795 bmse011346 1 22 1 7.7636 bmse011346 1 23 1 7.7777 bmse011346 1 24 1 2.5967 bmse011346 1 25 1 2.6001 bmse011346 1 26 1 2.6033 bmse011346 1 27 1 2.6064 bmse011346 1 28 1 2.6097 bmse011346 1 29 1 2.3495 bmse011346 1 30 1 2.3369 bmse011346 1 31 1 2.3282 bmse011346 1 32 1 2.3158 bmse011346 1 33 1 2.3237 bmse011346 1 34 1 2.3114 bmse011346 1 35 1 2.3026 bmse011346 1 36 1 2.2901 bmse011346 1 stop_ save_