######################### # 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 bmse011304 _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 bmse011304 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 bmse011304 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011304 1 2 bmse011304 1 3 bmse011304 1 4 bmse011304 1 5 bmse011304 1 6 bmse011304 1 7 bmse011304 1 8 bmse011304 1 9 bmse011304 1 10 bmse011304 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 2.4117 14_s bmse011304 1 2 1 4.6500 SUP bmse011304 1 3 1 1.8926 15,16_m bmse011304 1 4 1 1.4465 17_m bmse011304 1 5 1 3.3777 11_q_Q3 bmse011304 1 6 1 2.6030 DMSO bmse011304 1 7 1 1.5265 18_m_Q1 bmse011304 1 8 1 2.2234 12_s bmse011304 1 9 1 2.1767 13_t_Q2 bmse011304 1 10 1 5.4842 10_s bmse011304 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 bmse011304 1 2 2 1 0.0000 bmse011304 1 3 3 1 92.0617 bmse011304 1 4 4 1 2.9160 bmse011304 1 5 5 1 6.2356 bmse011304 1 6 6 1 1.9532 bmse011304 1 7 7 1 2.9160 bmse011304 1 8 8 1 0.0000 bmse011304 1 9 9 1 6.4373 bmse011304 1 10 10 1 0.0000 bmse011304 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011304 1 2 bmse011304 1 3 bmse011304 1 4 bmse011304 1 5 bmse011304 1 6 bmse011304 1 7 bmse011304 1 8 bmse011304 1 9 bmse011304 1 10 bmse011304 1 11 bmse011304 1 12 bmse011304 1 13 bmse011304 1 14 bmse011304 1 15 bmse011304 1 16 bmse011304 1 17 bmse011304 1 18 bmse011304 1 19 bmse011304 1 20 bmse011304 1 21 bmse011304 1 22 bmse011304 1 23 bmse011304 1 24 bmse011304 1 25 bmse011304 1 26 bmse011304 1 27 bmse011304 1 28 bmse011304 1 29 bmse011304 1 30 bmse011304 1 31 bmse011304 1 32 bmse011304 1 33 bmse011304 1 34 bmse011304 1 35 bmse011304 1 36 bmse011304 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 2.4117 bmse011304 1 2 1 4.6500 bmse011304 1 3 1 1.9693 bmse011304 1 4 1 1.8159 bmse011304 1 5 1 1.4660 bmse011304 1 6 1 1.4623 bmse011304 1 7 1 1.4619 bmse011304 1 8 1 1.4561 bmse011304 1 9 1 1.4520 bmse011304 1 10 1 1.4465 bmse011304 1 11 1 1.4425 bmse011304 1 12 1 1.4372 bmse011304 1 13 1 1.4271 bmse011304 1 14 1 3.3621 bmse011304 1 15 1 3.3722 bmse011304 1 16 1 3.3832 bmse011304 1 17 1 3.3933 bmse011304 1 18 1 2.5965 bmse011304 1 19 1 2.6001 bmse011304 1 20 1 2.6031 bmse011304 1 21 1 2.6060 bmse011304 1 22 1 2.6095 bmse011304 1 23 1 1.5459 bmse011304 1 24 1 1.5358 bmse011304 1 25 1 1.5309 bmse011304 1 26 1 1.5305 bmse011304 1 27 1 1.5266 bmse011304 1 28 1 1.5210 bmse011304 1 29 1 1.5169 bmse011304 1 30 1 1.5111 bmse011304 1 31 1 1.5070 bmse011304 1 32 1 2.2234 bmse011304 1 33 1 2.1660 bmse011304 1 34 1 2.1768 bmse011304 1 35 1 2.1874 bmse011304 1 36 1 5.4842 bmse011304 1 stop_ save_