######################### # 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 bmse011317 _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 bmse011317 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 bmse011317 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011317 1 2 bmse011317 1 3 bmse011317 1 4 bmse011317 1 5 bmse011317 1 6 bmse011317 1 7 bmse011317 1 8 bmse011317 1 9 bmse011317 1 10 bmse011317 1 11 bmse011317 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 4.6500 SUP bmse011317 1 2 1 2.7146 Imp2 bmse011317 1 3 1 0.9558 d_3H bmse011317 1 4 1 7.1563 m_2H bmse011317 1 5 1 0.5479 m_1H bmse011317 1 6 1 2.6031 DMSO bmse011317 1 7 1 3.3495 m_2H bmse011317 1 8 1 1.1466 m_1H_Q1 bmse011317 1 9 1 0.8440 m_2H bmse011317 1 10 1 1.0508 m_1H bmse011317 1 11 1 7.2785 m_2H bmse011317 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 bmse011317 1 2 2 1 0.0000 bmse011317 1 3 3 1 6.0522 bmse011317 1 4 4 1 8.3630 bmse011317 1 5 5 1 3.1471 bmse011317 1 6 6 1 1.8707 bmse011317 1 7 7 1 6.8224 bmse011317 1 8 8 1 4.1815 bmse011317 1 9 9 1 4.3466 bmse011317 1 10 10 1 3.5090 bmse011317 1 11 11 1 3.5579 bmse011317 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011317 1 2 bmse011317 1 3 bmse011317 1 4 bmse011317 1 5 bmse011317 1 6 bmse011317 1 7 bmse011317 1 8 bmse011317 1 9 bmse011317 1 10 bmse011317 1 11 bmse011317 1 12 bmse011317 1 13 bmse011317 1 14 bmse011317 1 15 bmse011317 1 16 bmse011317 1 17 bmse011317 1 18 bmse011317 1 19 bmse011317 1 20 bmse011317 1 21 bmse011317 1 22 bmse011317 1 23 bmse011317 1 24 bmse011317 1 25 bmse011317 1 26 bmse011317 1 27 bmse011317 1 28 bmse011317 1 29 bmse011317 1 30 bmse011317 1 31 bmse011317 1 32 bmse011317 1 33 bmse011317 1 34 bmse011317 1 35 bmse011317 1 36 bmse011317 1 37 bmse011317 1 38 bmse011317 1 39 bmse011317 1 40 bmse011317 1 41 bmse011317 1 42 bmse011317 1 43 bmse011317 1 44 bmse011317 1 45 bmse011317 1 46 bmse011317 1 47 bmse011317 1 48 bmse011317 1 49 bmse011317 1 50 bmse011317 1 51 bmse011317 1 52 bmse011317 1 53 bmse011317 1 54 bmse011317 1 55 bmse011317 1 56 bmse011317 1 57 bmse011317 1 58 bmse011317 1 59 bmse011317 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 4.6500 bmse011317 1 2 1 2.7146 bmse011317 1 3 1 0.9508 bmse011317 1 4 1 0.9608 bmse011317 1 5 1 7.1633 bmse011317 1 6 1 7.1493 bmse011317 1 7 1 0.5742 bmse011317 1 8 1 0.5637 bmse011317 1 9 1 0.5531 bmse011317 1 10 1 0.5457 bmse011317 1 11 1 0.5421 bmse011317 1 12 1 0.5395 bmse011317 1 13 1 0.5391 bmse011317 1 14 1 0.5351 bmse011317 1 15 1 0.5324 bmse011317 1 16 1 0.5289 bmse011317 1 17 1 0.5217 bmse011317 1 18 1 2.5968 bmse011317 1 19 1 2.6000 bmse011317 1 20 1 2.6031 bmse011317 1 21 1 2.6062 bmse011317 1 22 1 2.6093 bmse011317 1 23 1 3.4063 bmse011317 1 24 1 3.3950 bmse011317 1 25 1 3.3830 bmse011317 1 26 1 3.3717 bmse011317 1 27 1 3.3605 bmse011317 1 28 1 3.3493 bmse011317 1 29 1 3.3365 bmse011317 1 30 1 3.3260 bmse011317 1 31 1 3.3148 bmse011317 1 32 1 3.3033 bmse011317 1 33 1 3.2926 bmse011317 1 34 1 1.1605 bmse011317 1 35 1 1.1532 bmse011317 1 36 1 1.1466 bmse011317 1 37 1 1.1398 bmse011317 1 38 1 1.1326 bmse011317 1 39 1 0.8657 bmse011317 1 40 1 0.8582 bmse011317 1 41 1 0.8508 bmse011317 1 42 1 0.8437 bmse011317 1 43 1 0.8362 bmse011317 1 44 1 0.8327 bmse011317 1 45 1 0.8222 bmse011317 1 46 1 1.0771 bmse011317 1 47 1 1.0657 bmse011317 1 48 1 1.0554 bmse011317 1 49 1 1.0510 bmse011317 1 50 1 1.0507 bmse011317 1 51 1 1.0448 bmse011317 1 52 1 1.0410 bmse011317 1 53 1 1.0344 bmse011317 1 54 1 1.0307 bmse011317 1 55 1 1.0245 bmse011317 1 56 1 7.2874 bmse011317 1 57 1 7.2841 bmse011317 1 58 1 7.2737 bmse011317 1 59 1 7.2696 bmse011317 1 stop_ save_