######################### # 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 bmse011501 _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 bmse011501 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 bmse011501 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011501 1 2 bmse011501 1 3 bmse011501 1 4 bmse011501 1 5 bmse011501 1 6 bmse011501 1 7 bmse011501 1 8 bmse011501 1 9 bmse011501 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 0.6083 11,12_m_Q2 bmse011501 1 2 1 2.3172 15_s bmse011501 1 3 1 4.6500 SUP bmse011501 1 4 1 2.6030 DMSO bmse011501 1 5 1 2.4194 9_m bmse011501 1 6 1 6.4051 5_d bmse011501 1 7 1 0.3922 11,12_m_Q1 bmse011501 1 8 1 2.7776 14_s_Q3 bmse011501 1 9 1 6.0021 4_s bmse011501 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 3.7413 bmse011501 1 2 2 1 0.0000 bmse011501 1 3 3 1 0.0000 bmse011501 1 4 4 1 1.8432 bmse011501 1 5 5 1 1.7606 bmse011501 1 6 6 1 1.5406 bmse011501 1 7 7 1 3.0591 bmse011501 1 8 8 1 0.0000 bmse011501 1 9 9 1 0.0000 bmse011501 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011501 1 2 bmse011501 1 3 bmse011501 1 4 bmse011501 1 5 bmse011501 1 6 bmse011501 1 7 bmse011501 1 8 bmse011501 1 9 bmse011501 1 10 bmse011501 1 11 bmse011501 1 12 bmse011501 1 13 bmse011501 1 14 bmse011501 1 15 bmse011501 1 16 bmse011501 1 17 bmse011501 1 18 bmse011501 1 19 bmse011501 1 20 bmse011501 1 21 bmse011501 1 22 bmse011501 1 23 bmse011501 1 24 bmse011501 1 25 bmse011501 1 26 bmse011501 1 27 bmse011501 1 28 bmse011501 1 29 bmse011501 1 30 bmse011501 1 31 bmse011501 1 32 bmse011501 1 33 bmse011501 1 34 bmse011501 1 35 bmse011501 1 36 bmse011501 1 37 bmse011501 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 0.6238 bmse011501 1 2 1 0.6154 bmse011501 1 3 1 0.6123 bmse011501 1 4 1 0.6039 bmse011501 1 5 1 0.6007 bmse011501 1 6 1 0.5927 bmse011501 1 7 1 2.3172 bmse011501 1 8 1 4.6500 bmse011501 1 9 1 2.5968 bmse011501 1 10 1 2.6000 bmse011501 1 11 1 2.6031 bmse011501 1 12 1 2.6062 bmse011501 1 13 1 2.6091 bmse011501 1 14 1 2.4384 bmse011501 1 15 1 2.4351 bmse011501 1 16 1 2.4322 bmse011501 1 17 1 2.4291 bmse011501 1 18 1 2.4267 bmse011501 1 19 1 2.4236 bmse011501 1 20 1 2.4208 bmse011501 1 21 1 2.4177 bmse011501 1 22 1 2.4150 bmse011501 1 23 1 2.4120 bmse011501 1 24 1 2.4093 bmse011501 1 25 1 2.4063 bmse011501 1 26 1 2.4032 bmse011501 1 27 1 2.4003 bmse011501 1 28 1 6.4039 bmse011501 1 29 1 6.4064 bmse011501 1 30 1 0.4049 bmse011501 1 31 1 0.3972 bmse011501 1 32 1 0.3936 bmse011501 1 33 1 0.3910 bmse011501 1 34 1 0.3877 bmse011501 1 35 1 0.3794 bmse011501 1 36 1 2.7776 bmse011501 1 37 1 6.0021 bmse011501 1 stop_ save_