######################### # 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 bmse011516 _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 bmse011516 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 bmse011516 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011516 1 2 bmse011516 1 3 bmse011516 1 4 bmse011516 1 6 bmse011516 1 7 bmse011516 1 8 bmse011516 1 9 bmse011516 1 11 bmse011516 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 1.0236 15_d_Q1 bmse011516 1 2 1 1.1600 14_m bmse011516 1 3 1 2.1362 9_m bmse011516 1 4 1 2.8183 13_dd_Q2 bmse011516 1 5 1 3.7636 9_m bmse011516 1 6 1 4.6500 SUP bmse011516 1 7 1 2.6072 DMSO_10_m bmse011516 1 8 1 3.2882 11_dd_Q3 bmse011516 1 9 1 3.6511 7_m bmse011516 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 6.2722 bmse011516 1 2 2 1 6.2722 bmse011516 1 3 3 1 11.2790 bmse011516 1 4 4 1 11.9943 bmse011516 1 5 4 1 1.8707 bmse011516 1 6 5 1 5.1718 bmse011516 1 7 6 1 0.0000 bmse011516 1 8 7 1 96.7514 bmse011516 1 9 8 1 11.3891 bmse011516 1 10 8 1 11.3891 bmse011516 1 11 9 1 3.8828 bmse011516 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011516 1 2 bmse011516 1 3 bmse011516 1 4 bmse011516 1 5 bmse011516 1 6 bmse011516 1 7 bmse011516 1 8 bmse011516 1 9 bmse011516 1 10 bmse011516 1 11 bmse011516 1 12 bmse011516 1 13 bmse011516 1 14 bmse011516 1 15 bmse011516 1 16 bmse011516 1 17 bmse011516 1 18 bmse011516 1 19 bmse011516 1 20 bmse011516 1 21 bmse011516 1 22 bmse011516 1 23 bmse011516 1 24 bmse011516 1 25 bmse011516 1 26 bmse011516 1 27 bmse011516 1 28 bmse011516 1 29 bmse011516 1 30 bmse011516 1 31 bmse011516 1 32 bmse011516 1 33 bmse011516 1 34 bmse011516 1 35 bmse011516 1 36 bmse011516 1 37 bmse011516 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 1.0184 bmse011516 1 2 1 1.0289 bmse011516 1 3 1 1.1653 bmse011516 1 4 1 1.1548 bmse011516 1 5 1 2.1550 bmse011516 1 6 1 2.1368 bmse011516 1 7 1 2.1174 bmse011516 1 8 1 2.8299 bmse011516 1 9 1 2.8268 bmse011516 1 10 1 2.8099 bmse011516 1 11 1 2.8068 bmse011516 1 12 1 3.7765 bmse011516 1 13 1 3.7708 bmse011516 1 14 1 3.7565 bmse011516 1 15 1 3.7506 bmse011516 1 16 1 4.6500 bmse011516 1 17 1 2.6878 bmse011516 1 18 1 2.5266 bmse011516 1 19 1 3.3071 bmse011516 1 20 1 3.2886 bmse011516 1 21 1 3.2886 bmse011516 1 22 1 3.2692 bmse011516 1 23 1 3.6964 bmse011516 1 24 1 3.6823 bmse011516 1 25 1 3.6799 bmse011516 1 26 1 3.6590 bmse011516 1 27 1 3.6544 bmse011516 1 28 1 3.6471 bmse011516 1 29 1 3.6439 bmse011516 1 30 1 3.6368 bmse011516 1 31 1 3.6331 bmse011516 1 32 1 3.6300 bmse011516 1 33 1 3.6265 bmse011516 1 34 1 3.6194 bmse011516 1 35 1 3.6161 bmse011516 1 36 1 3.6089 bmse011516 1 37 1 3.6058 bmse011516 1 stop_ save_