######################### # 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 bmse011672 _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 bmse011672 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 bmse011672 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011672 1 2 bmse011672 1 3 bmse011672 1 4 bmse011672 1 5 bmse011672 1 6 bmse011672 1 7 bmse011672 1 8 bmse011672 1 9 bmse011672 1 10 bmse011672 1 12 bmse011672 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 1.2384 14_t_Q1 bmse011672 1 2 1 3.5591 1,8,9_m bmse011672 1 3 1 2.6026 DMSO bmse011672 1 4 1 1.6209 6,7_m bmse011672 1 5 1 2.9859 8,9_m bmse011672 1 6 1 3.1117 11_q_Q2 bmse011672 1 7 1 6.7791 13_m bmse011672 1 8 1 4.6500 SUP bmse011672 1 9 1 2.2415 6,7_d bmse011672 1 10 1 6.9197 15_dd_Q3 bmse011672 1 11 1 7.0320 12,16_m bmse011672 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 7.3726 bmse011672 1 2 2 1 131.9510 bmse011672 1 3 3 1 1.8432 bmse011672 1 4 4 1 8.6711 bmse011672 1 5 5 1 8.7298 bmse011672 1 6 6 1 7.3360 bmse011672 1 7 7 1 6.5657 bmse011672 1 8 8 1 0.0000 bmse011672 1 9 9 1 14.3051 bmse011672 1 10 10 1 8.0879 bmse011672 1 11 10 1 8.0879 bmse011672 1 12 11 1 45.2469 bmse011672 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011672 1 2 bmse011672 1 3 bmse011672 1 4 bmse011672 1 5 bmse011672 1 6 bmse011672 1 7 bmse011672 1 8 bmse011672 1 9 bmse011672 1 10 bmse011672 1 11 bmse011672 1 12 bmse011672 1 13 bmse011672 1 14 bmse011672 1 15 bmse011672 1 16 bmse011672 1 17 bmse011672 1 18 bmse011672 1 19 bmse011672 1 20 bmse011672 1 21 bmse011672 1 22 bmse011672 1 23 bmse011672 1 24 bmse011672 1 25 bmse011672 1 26 bmse011672 1 27 bmse011672 1 28 bmse011672 1 29 bmse011672 1 30 bmse011672 1 31 bmse011672 1 32 bmse011672 1 33 bmse011672 1 34 bmse011672 1 35 bmse011672 1 36 bmse011672 1 37 bmse011672 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 1.2261 bmse011672 1 2 1 1.2384 bmse011672 1 3 1 1.2507 bmse011672 1 4 1 3.6690 bmse011672 1 5 1 3.4492 bmse011672 1 6 1 2.5965 bmse011672 1 7 1 2.5996 bmse011672 1 8 1 2.6025 bmse011672 1 9 1 2.6056 bmse011672 1 10 1 2.6088 bmse011672 1 11 1 1.6570 bmse011672 1 12 1 1.6519 bmse011672 1 13 1 1.6324 bmse011672 1 14 1 1.6090 bmse011672 1 15 1 1.5901 bmse011672 1 16 1 1.5848 bmse011672 1 17 1 3.0077 bmse011672 1 18 1 2.9855 bmse011672 1 19 1 2.9841 bmse011672 1 20 1 2.9641 bmse011672 1 21 1 3.0933 bmse011672 1 22 1 3.1054 bmse011672 1 23 1 3.1177 bmse011672 1 24 1 3.1300 bmse011672 1 25 1 6.7955 bmse011672 1 26 1 6.7845 bmse011672 1 27 1 6.7746 bmse011672 1 28 1 6.7627 bmse011672 1 29 1 4.6500 bmse011672 1 30 1 2.2296 bmse011672 1 31 1 2.2534 bmse011672 1 32 1 6.9332 bmse011672 1 33 1 6.9198 bmse011672 1 34 1 6.9198 bmse011672 1 35 1 6.9062 bmse011672 1 36 1 7.0697 bmse011672 1 37 1 6.9944 bmse011672 1 stop_ save_