######################### # 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 bmse011036 _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 bmse011036 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 bmse011036 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011036 1 2 bmse011036 1 3 bmse011036 1 4 bmse011036 1 5 bmse011036 1 7 bmse011036 1 8 bmse011036 1 9 bmse011036 1 10 bmse011036 1 11 bmse011036 1 12 bmse011036 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 7.0616 m_1H bmse011036 1 2 1 7.2566 s_1H bmse011036 1 3 1 3.2699 s_3H bmse011036 1 4 1 6.6704 s_1H bmse011036 1 5 1 7.6560 dd_2H bmse011036 1 6 1 2.6031 DMSO bmse011036 1 7 1 1.0907 m_4H_Q1 bmse011036 1 8 1 2.4885 Imp1 bmse011036 1 9 1 2.7199 Imp2 bmse011036 1 10 1 3.5681 q_2H bmse011036 1 11 1 6.8770 m_3H bmse011036 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 5.9788 bmse011036 1 2 2 1 0.0000 bmse011036 1 3 3 1 0.0000 bmse011036 1 4 4 1 0.0000 bmse011036 1 5 5 1 8.9682 bmse011036 1 6 5 1 1.7056 bmse011036 1 7 6 1 1.8156 bmse011036 1 8 7 1 4.0990 bmse011036 1 9 8 1 0.0000 bmse011036 1 10 9 1 0.0000 bmse011036 1 11 10 1 7.0792 bmse011036 1 12 11 1 5.3919 bmse011036 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011036 1 2 bmse011036 1 3 bmse011036 1 4 bmse011036 1 5 bmse011036 1 6 bmse011036 1 7 bmse011036 1 8 bmse011036 1 9 bmse011036 1 10 bmse011036 1 11 bmse011036 1 12 bmse011036 1 13 bmse011036 1 14 bmse011036 1 15 bmse011036 1 16 bmse011036 1 17 bmse011036 1 18 bmse011036 1 19 bmse011036 1 20 bmse011036 1 21 bmse011036 1 22 bmse011036 1 23 bmse011036 1 24 bmse011036 1 25 bmse011036 1 26 bmse011036 1 27 bmse011036 1 28 bmse011036 1 29 bmse011036 1 30 bmse011036 1 31 bmse011036 1 32 bmse011036 1 33 bmse011036 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 7.0766 bmse011036 1 2 1 7.0733 bmse011036 1 3 1 7.0615 bmse011036 1 4 1 7.0467 bmse011036 1 5 1 7.2566 bmse011036 1 6 1 3.2699 bmse011036 1 7 1 6.6704 bmse011036 1 8 1 7.6649 bmse011036 1 9 1 7.6620 bmse011036 1 10 1 7.6499 bmse011036 1 11 1 7.6471 bmse011036 1 12 1 2.5970 bmse011036 1 13 1 2.6000 bmse011036 1 14 1 2.6031 bmse011036 1 15 1 2.6062 bmse011036 1 16 1 2.6091 bmse011036 1 17 1 1.1044 bmse011036 1 18 1 1.0927 bmse011036 1 19 1 1.0875 bmse011036 1 20 1 1.0807 bmse011036 1 21 1 1.0771 bmse011036 1 22 1 2.4885 bmse011036 1 23 1 2.7199 bmse011036 1 24 1 3.5504 bmse011036 1 25 1 3.5623 bmse011036 1 26 1 3.5741 bmse011036 1 27 1 3.5858 bmse011036 1 28 1 6.8994 bmse011036 1 29 1 6.8952 bmse011036 1 30 1 6.8844 bmse011036 1 31 1 6.8806 bmse011036 1 32 1 6.8584 bmse011036 1 33 1 6.8545 bmse011036 1 stop_ save_