######################### # 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 bmse011701 _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 bmse011701 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 bmse011701 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011701 1 2 bmse011701 1 3 bmse011701 1 4 bmse011701 1 5 bmse011701 1 7 bmse011701 1 8 bmse011701 1 9 bmse011701 1 10 bmse011701 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 7.0001 15_t bmse011701 1 2 1 2.6030 DMSO bmse011701 1 3 1 6.9117 9,10_d bmse011701 1 4 1 1.9208 12_quint_Q2 bmse011701 1 5 1 7.3013 13,14_dd bmse011701 1 6 1 3.3730 8_t_Q3 bmse011701 1 7 1 3.4547 7_t bmse011701 1 8 1 1.8121 11_quint_Q1 bmse011701 1 9 1 4.6500 SUP bmse011701 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 7.2626 bmse011701 1 2 2 1 1.9532 bmse011701 1 3 3 1 8.3630 bmse011701 1 4 4 1 6.8499 bmse011701 1 5 5 1 7.9779 bmse011701 1 6 5 1 7.9779 bmse011701 1 7 6 1 7.0975 bmse011701 1 8 7 1 6.9325 bmse011701 1 9 8 1 6.9325 bmse011701 1 10 9 1 0.0000 bmse011701 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011701 1 2 bmse011701 1 3 bmse011701 1 4 bmse011701 1 5 bmse011701 1 6 bmse011701 1 7 bmse011701 1 8 bmse011701 1 9 bmse011701 1 10 bmse011701 1 11 bmse011701 1 12 bmse011701 1 13 bmse011701 1 14 bmse011701 1 15 bmse011701 1 16 bmse011701 1 17 bmse011701 1 18 bmse011701 1 19 bmse011701 1 20 bmse011701 1 21 bmse011701 1 22 bmse011701 1 23 bmse011701 1 24 bmse011701 1 25 bmse011701 1 26 bmse011701 1 27 bmse011701 1 28 bmse011701 1 29 bmse011701 1 30 bmse011701 1 31 bmse011701 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 6.9880 bmse011701 1 2 1 7.0001 bmse011701 1 3 1 7.0122 bmse011701 1 4 1 2.5965 bmse011701 1 5 1 2.6000 bmse011701 1 6 1 2.6029 bmse011701 1 7 1 2.6060 bmse011701 1 8 1 2.6095 bmse011701 1 9 1 6.9048 bmse011701 1 10 1 6.9187 bmse011701 1 11 1 1.8979 bmse011701 1 12 1 1.9093 bmse011701 1 13 1 1.9207 bmse011701 1 14 1 1.9322 bmse011701 1 15 1 1.9436 bmse011701 1 16 1 7.3145 bmse011701 1 17 1 7.3019 bmse011701 1 18 1 7.3019 bmse011701 1 19 1 7.2880 bmse011701 1 20 1 3.3612 bmse011701 1 21 1 3.3731 bmse011701 1 22 1 3.3849 bmse011701 1 23 1 3.4432 bmse011701 1 24 1 3.4547 bmse011701 1 25 1 3.4663 bmse011701 1 26 1 1.7890 bmse011701 1 27 1 1.8006 bmse011701 1 28 1 1.8121 bmse011701 1 29 1 1.8237 bmse011701 1 30 1 1.8352 bmse011701 1 31 1 4.6500 bmse011701 1 stop_ save_