######################### # 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 bmse011671 _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 bmse011671 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 bmse011671 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011671 1 2 bmse011671 1 3 bmse011671 1 4 bmse011671 1 5 bmse011671 1 6 bmse011671 1 7 bmse011671 1 9 bmse011671 1 10 bmse011671 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 1.6400 m_3H bmse011671 1 2 1 3.1236 q_3H bmse011671 1 3 1 3.3730 m_1H bmse011671 1 4 1 4.6500 SUP bmse011671 1 5 1 1.5156 m_1H bmse011671 1 6 1 2.6030 DMSO bmse011671 1 7 1 1.7371 dd_3H bmse011671 1 8 1 6.1919 d_1H_Q1 bmse011671 1 9 1 1.2371 m_9H bmse011671 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 4.0715 bmse011671 1 2 2 1 7.3360 bmse011671 1 3 3 1 3.8184 bmse011671 1 4 4 1 0.0000 bmse011671 1 5 5 1 3.9614 bmse011671 1 6 6 1 1.8982 bmse011671 1 7 7 1 12.6545 bmse011671 1 8 7 1 2.7510 bmse011671 1 9 8 1 7.4827 bmse011671 1 10 9 1 7.3726 bmse011671 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011671 1 2 bmse011671 1 3 bmse011671 1 4 bmse011671 1 5 bmse011671 1 6 bmse011671 1 7 bmse011671 1 8 bmse011671 1 9 bmse011671 1 10 bmse011671 1 11 bmse011671 1 12 bmse011671 1 13 bmse011671 1 14 bmse011671 1 15 bmse011671 1 16 bmse011671 1 17 bmse011671 1 18 bmse011671 1 19 bmse011671 1 20 bmse011671 1 21 bmse011671 1 22 bmse011671 1 23 bmse011671 1 24 bmse011671 1 25 bmse011671 1 26 bmse011671 1 27 bmse011671 1 28 bmse011671 1 29 bmse011671 1 30 bmse011671 1 31 bmse011671 1 32 bmse011671 1 33 bmse011671 1 34 bmse011671 1 35 bmse011671 1 36 bmse011671 1 37 bmse011671 1 38 bmse011671 1 39 bmse011671 1 40 bmse011671 1 41 bmse011671 1 42 bmse011671 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 1.6570 bmse011671 1 2 1 1.6513 bmse011671 1 3 1 1.6462 bmse011671 1 4 1 1.6335 bmse011671 1 5 1 1.6282 bmse011671 1 6 1 1.6231 bmse011671 1 7 1 3.1053 bmse011671 1 8 1 3.1174 bmse011671 1 9 1 3.1297 bmse011671 1 10 1 3.1419 bmse011671 1 11 1 3.4049 bmse011671 1 12 1 3.3983 bmse011671 1 13 1 3.3915 bmse011671 1 14 1 3.3856 bmse011671 1 15 1 3.3794 bmse011671 1 16 1 3.3730 bmse011671 1 17 1 3.3667 bmse011671 1 18 1 3.3603 bmse011671 1 19 1 3.3544 bmse011671 1 20 1 3.3478 bmse011671 1 21 1 3.3412 bmse011671 1 22 1 4.6500 bmse011671 1 23 1 1.5321 bmse011671 1 24 1 1.5268 bmse011671 1 25 1 1.5211 bmse011671 1 26 1 1.5105 bmse011671 1 27 1 1.5048 bmse011671 1 28 1 1.4991 bmse011671 1 29 1 2.5967 bmse011671 1 30 1 2.5998 bmse011671 1 31 1 2.6029 bmse011671 1 32 1 2.6060 bmse011671 1 33 1 2.6093 bmse011671 1 34 1 1.7500 bmse011671 1 35 1 1.7454 bmse011671 1 36 1 1.7289 bmse011671 1 37 1 1.7243 bmse011671 1 38 1 6.1857 bmse011671 1 39 1 6.1981 bmse011671 1 40 1 1.2494 bmse011671 1 41 1 1.2371 bmse011671 1 42 1 1.2249 bmse011671 1 stop_ save_