######################### # 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 bmse011569 _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 bmse011569 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 bmse011569 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011569 1 2 bmse011569 1 3 bmse011569 1 4 bmse011569 1 5 bmse011569 1 6 bmse011569 1 7 bmse011569 1 8 bmse011569 1 9 bmse011569 1 10 bmse011569 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 1.6115 m_6H_Q1 bmse011569 1 2 1 3.3513 m_1H bmse011569 1 3 1 4.6500 SUP bmse011569 1 4 1 2.6032 DMSO bmse011569 1 5 1 1.8000 s_3H bmse011569 1 6 1 1.9265 d_4H bmse011569 1 7 1 1.8827 d_1H bmse011569 1 8 1 3.5811 quint_1H bmse011569 1 9 1 3.4837 m_3H bmse011569 1 10 1 3.2199 t_2H bmse011569 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 5.5020 bmse011569 1 2 2 1 6.6757 bmse011569 1 3 3 1 0.0000 bmse011569 1 4 4 1 1.9532 bmse011569 1 5 5 1 0.0000 bmse011569 1 6 6 1 11.4441 bmse011569 1 7 7 1 12.1043 bmse011569 1 8 8 1 6.0522 bmse011569 1 9 9 1 6.8224 bmse011569 1 10 10 1 6.0522 bmse011569 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011569 1 2 bmse011569 1 3 bmse011569 1 4 bmse011569 1 5 bmse011569 1 6 bmse011569 1 7 bmse011569 1 8 bmse011569 1 9 bmse011569 1 10 bmse011569 1 11 bmse011569 1 12 bmse011569 1 13 bmse011569 1 14 bmse011569 1 15 bmse011569 1 16 bmse011569 1 17 bmse011569 1 18 bmse011569 1 19 bmse011569 1 20 bmse011569 1 21 bmse011569 1 22 bmse011569 1 23 bmse011569 1 24 bmse011569 1 25 bmse011569 1 26 bmse011569 1 27 bmse011569 1 28 bmse011569 1 29 bmse011569 1 30 bmse011569 1 31 bmse011569 1 32 bmse011569 1 33 bmse011569 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 1.6161 bmse011569 1 2 1 1.6070 bmse011569 1 3 1 3.3847 bmse011569 1 4 1 3.3737 bmse011569 1 5 1 3.3629 bmse011569 1 6 1 3.3537 bmse011569 1 7 1 3.3394 bmse011569 1 8 1 3.3315 bmse011569 1 9 1 3.3179 bmse011569 1 10 1 4.6500 bmse011569 1 11 1 2.5967 bmse011569 1 12 1 2.6001 bmse011569 1 13 1 2.6031 bmse011569 1 14 1 2.6058 bmse011569 1 15 1 2.6097 bmse011569 1 16 1 1.8000 bmse011569 1 17 1 1.9170 bmse011569 1 18 1 1.9361 bmse011569 1 19 1 1.8726 bmse011569 1 20 1 1.8928 bmse011569 1 21 1 3.5609 bmse011569 1 22 1 3.5699 bmse011569 1 23 1 3.5803 bmse011569 1 24 1 3.5910 bmse011569 1 25 1 3.6012 bmse011569 1 26 1 3.5064 bmse011569 1 27 1 3.4974 bmse011569 1 28 1 3.4875 bmse011569 1 29 1 3.4771 bmse011569 1 30 1 3.4610 bmse011569 1 31 1 3.2098 bmse011569 1 32 1 3.2197 bmse011569 1 33 1 3.2299 bmse011569 1 stop_ save_