######################### # 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 bmse011355 _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 bmse011355 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 bmse011355 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011355 1 2 bmse011355 1 3 bmse011355 1 4 bmse011355 1 5 bmse011355 1 6 bmse011355 1 7 bmse011355 1 8 bmse011355 1 9 bmse011355 1 10 bmse011355 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 1.6885 m_2H_Q1 bmse011355 1 2 1 2.8669 s_6H bmse011355 1 3 1 1.2665 t_3H bmse011355 1 4 1 3.7752 s_3H bmse011355 1 5 1 4.0455 m_1H bmse011355 1 6 1 2.1564 sept_1H bmse011355 1 7 1 1.5055 m_4H bmse011355 1 8 1 2.9465 m_4H bmse011355 1 9 1 2.6032 DMSO bmse011355 1 10 1 1.1645 m_2H bmse011355 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 5.3002 bmse011355 1 2 2 1 0.0000 bmse011355 1 3 3 1 7.5927 bmse011355 1 4 4 1 0.0000 bmse011355 1 5 5 1 0.0000 bmse011355 1 6 6 1 7.7945 bmse011355 1 7 7 1 4.2732 bmse011355 1 8 8 1 6.6024 bmse011355 1 9 9 1 1.8432 bmse011355 1 10 10 1 6.5198 bmse011355 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011355 1 2 bmse011355 1 3 bmse011355 1 4 bmse011355 1 5 bmse011355 1 6 bmse011355 1 7 bmse011355 1 8 bmse011355 1 9 bmse011355 1 10 bmse011355 1 11 bmse011355 1 12 bmse011355 1 13 bmse011355 1 14 bmse011355 1 15 bmse011355 1 16 bmse011355 1 17 bmse011355 1 18 bmse011355 1 19 bmse011355 1 20 bmse011355 1 21 bmse011355 1 22 bmse011355 1 23 bmse011355 1 24 bmse011355 1 25 bmse011355 1 26 bmse011355 1 27 bmse011355 1 28 bmse011355 1 29 bmse011355 1 30 bmse011355 1 31 bmse011355 1 32 bmse011355 1 33 bmse011355 1 34 bmse011355 1 35 bmse011355 1 36 bmse011355 1 37 bmse011355 1 38 bmse011355 1 39 bmse011355 1 40 bmse011355 1 41 bmse011355 1 42 bmse011355 1 43 bmse011355 1 44 bmse011355 1 45 bmse011355 1 46 bmse011355 1 47 bmse011355 1 48 bmse011355 1 49 bmse011355 1 50 bmse011355 1 51 bmse011355 1 52 bmse011355 1 53 bmse011355 1 54 bmse011355 1 55 bmse011355 1 56 bmse011355 1 57 bmse011355 1 58 bmse011355 1 59 bmse011355 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 1.7149 bmse011355 1 2 1 1.7087 bmse011355 1 3 1 1.7028 bmse011355 1 4 1 1.6942 bmse011355 1 5 1 1.6819 bmse011355 1 6 1 1.6735 bmse011355 1 7 1 1.6620 bmse011355 1 8 1 2.8669 bmse011355 1 9 1 1.2538 bmse011355 1 10 1 1.2665 bmse011355 1 11 1 1.2791 bmse011355 1 12 1 3.7752 bmse011355 1 13 1 4.0455 bmse011355 1 14 1 2.1174 bmse011355 1 15 1 2.1304 bmse011355 1 16 1 2.1432 bmse011355 1 17 1 2.1563 bmse011355 1 18 1 2.1691 bmse011355 1 19 1 2.1819 bmse011355 1 20 1 2.1953 bmse011355 1 21 1 1.5696 bmse011355 1 22 1 1.5652 bmse011355 1 23 1 1.5569 bmse011355 1 24 1 1.5510 bmse011355 1 25 1 1.5439 bmse011355 1 26 1 1.5398 bmse011355 1 27 1 1.5354 bmse011355 1 28 1 1.5298 bmse011355 1 29 1 1.5221 bmse011355 1 30 1 1.4929 bmse011355 1 31 1 1.4885 bmse011355 1 32 1 1.4867 bmse011355 1 33 1 1.4792 bmse011355 1 34 1 1.4727 bmse011355 1 35 1 1.4658 bmse011355 1 36 1 1.4614 bmse011355 1 37 1 1.4535 bmse011355 1 38 1 1.4485 bmse011355 1 39 1 1.4414 bmse011355 1 40 1 2.9740 bmse011355 1 41 1 2.9612 bmse011355 1 42 1 2.9485 bmse011355 1 43 1 2.9357 bmse011355 1 44 1 2.9318 bmse011355 1 45 1 2.9190 bmse011355 1 46 1 2.5970 bmse011355 1 47 1 2.6001 bmse011355 1 48 1 2.6031 bmse011355 1 49 1 2.6062 bmse011355 1 50 1 2.6093 bmse011355 1 51 1 1.2080 bmse011355 1 52 1 1.1953 bmse011355 1 53 1 1.1873 bmse011355 1 54 1 1.1825 bmse011355 1 55 1 1.1686 bmse011355 1 56 1 1.1556 bmse011355 1 57 1 1.1479 bmse011355 1 58 1 1.1350 bmse011355 1 59 1 1.1211 bmse011355 1 stop_ save_