######################### # 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 bmse011496 _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 bmse011496 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 bmse011496 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011496 1 2 bmse011496 1 3 bmse011496 1 4 bmse011496 1 5 bmse011496 1 6 bmse011496 1 7 bmse011496 1 8 bmse011496 1 9 bmse011496 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 4.6500 SUP bmse011496 1 2 1 1.2068 10,11_m_Q1 bmse011496 1 3 1 3.0160 15_d_Q3 bmse011496 1 4 1 3.3818 8,9_d bmse011496 1 5 1 1.7186 10,11_d bmse011496 1 6 1 2.3316 8,9,13_m bmse011496 1 7 1 2.6030 DMSO bmse011496 1 8 1 3.9604 7_s bmse011496 1 9 1 1.5074 12_m_Q2 bmse011496 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 0.0000 bmse011496 1 2 2 1 5.2681 bmse011496 1 3 3 1 11.8842 bmse011496 1 4 4 1 6.6024 bmse011496 1 5 5 1 14.0850 bmse011496 1 6 6 1 77.5083 bmse011496 1 7 7 1 1.8432 bmse011496 1 8 8 1 0.0000 bmse011496 1 9 9 1 3.0811 bmse011496 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011496 1 2 bmse011496 1 3 bmse011496 1 4 bmse011496 1 5 bmse011496 1 6 bmse011496 1 7 bmse011496 1 8 bmse011496 1 9 bmse011496 1 10 bmse011496 1 11 bmse011496 1 12 bmse011496 1 13 bmse011496 1 14 bmse011496 1 15 bmse011496 1 16 bmse011496 1 17 bmse011496 1 18 bmse011496 1 19 bmse011496 1 20 bmse011496 1 21 bmse011496 1 22 bmse011496 1 23 bmse011496 1 24 bmse011496 1 25 bmse011496 1 26 bmse011496 1 27 bmse011496 1 28 bmse011496 1 29 bmse011496 1 30 bmse011496 1 31 bmse011496 1 32 bmse011496 1 33 bmse011496 1 34 bmse011496 1 35 bmse011496 1 36 bmse011496 1 37 bmse011496 1 38 bmse011496 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 4.6500 bmse011496 1 2 1 1.2419 bmse011496 1 3 1 1.2353 bmse011496 1 4 1 1.2192 bmse011496 1 5 1 1.2188 bmse011496 1 6 1 1.2148 bmse011496 1 7 1 1.1986 bmse011496 1 8 1 1.1924 bmse011496 1 9 1 1.1783 bmse011496 1 10 1 1.1717 bmse011496 1 11 1 3.0061 bmse011496 1 12 1 3.0259 bmse011496 1 13 1 3.3763 bmse011496 1 14 1 3.3873 bmse011496 1 15 1 1.7069 bmse011496 1 16 1 1.7303 bmse011496 1 17 1 2.3962 bmse011496 1 18 1 2.2670 bmse011496 1 19 1 2.5968 bmse011496 1 20 1 2.5998 bmse011496 1 21 1 2.6029 bmse011496 1 22 1 2.6060 bmse011496 1 23 1 2.6091 bmse011496 1 24 1 3.9604 bmse011496 1 25 1 1.5408 bmse011496 1 26 1 1.5367 bmse011496 1 27 1 1.5358 bmse011496 1 28 1 1.5294 bmse011496 1 29 1 1.5213 bmse011496 1 30 1 1.5169 bmse011496 1 31 1 1.5105 bmse011496 1 32 1 1.5046 bmse011496 1 33 1 1.4997 bmse011496 1 34 1 1.4914 bmse011496 1 35 1 1.4863 bmse011496 1 36 1 1.4854 bmse011496 1 37 1 1.4801 bmse011496 1 38 1 1.4740 bmse011496 1 stop_ save_