######################### # 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 bmse011735 _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 bmse011735 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 bmse011735 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011735 1 2 bmse011735 1 3 bmse011735 1 4 bmse011735 1 5 bmse011735 1 6 bmse011735 1 7 bmse011735 1 8 bmse011735 1 9 bmse011735 1 10 bmse011735 1 11 bmse011735 1 12 bmse011735 1 13 bmse011735 1 14 bmse011735 1 15 bmse011735 1 16 bmse011735 1 17 bmse011735 1 18 bmse011735 1 19 bmse011735 1 20 bmse011735 1 21 bmse011735 1 22 bmse011735 1 23 bmse011735 1 24 bmse011735 1 25 bmse011735 1 26 bmse011735 1 27 bmse011735 1 28 bmse011735 1 29 bmse011735 1 30 bmse011735 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 8.4861 m_12H bmse011735 1 2 1 2.9355 s_9H bmse011735 1 3 1 7.4396 d_15H bmse011735 1 4 1 8.1790 s_1H bmse011735 1 5 1 2.4854 Imp1 bmse011735 1 6 1 3.8812 s_1H bmse011735 1 7 1 4.2081 s_6H bmse011735 1 8 1 7.2284 s_6H bmse011735 1 9 1 7.3830 d_6H bmse011735 1 10 1 8.5359 m_18H bmse011735 1 11 1 3.7321 s_1H bmse011735 1 12 1 2.6953 s_24H bmse011735 1 13 1 2.8632 m_2H bmse011735 1 14 1 8.4274 m_6H bmse011735 1 15 1 7.2597 m_3H bmse011735 1 16 1 5.9860 s_1H bmse011735 1 17 1 3.8308 s_1H bmse011735 1 18 1 2.5142 s_1H bmse011735 1 19 1 2.6029 DMSO bmse011735 1 20 1 7.4934 m_9H bmse011735 1 21 1 7.6741 s_3H bmse011735 1 22 1 2.7168 Imp2 bmse011735 1 23 1 8.6208 m_9H bmse011735 1 24 1 7.8138 m_2H bmse011735 1 25 1 3.0526 s_6H bmse011735 1 26 1 3.5752 s_1H_Q1 bmse011735 1 27 1 8.7434 s_2H bmse011735 1 28 1 7.3516 m_4H bmse011735 1 29 1 2.3028 d_4H bmse011735 1 30 1 7.5641 m_2H bmse011735 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 3.4112 bmse011735 1 2 2 1 0.0000 bmse011735 1 3 3 1 6.1622 bmse011735 1 4 4 1 0.0000 bmse011735 1 5 5 1 0.0000 bmse011735 1 6 6 1 0.0000 bmse011735 1 7 7 1 0.0000 bmse011735 1 8 8 1 0.0000 bmse011735 1 9 9 1 6.0522 bmse011735 1 10 10 1 3.0261 bmse011735 1 11 11 1 0.0000 bmse011735 1 12 12 1 0.0000 bmse011735 1 13 13 1 4.1815 bmse011735 1 14 14 1 3.1361 bmse011735 1 15 15 1 2.1274 bmse011735 1 16 16 1 0.0000 bmse011735 1 17 17 1 0.0000 bmse011735 1 18 18 1 0.0000 bmse011735 1 19 19 1 1.9257 bmse011735 1 20 20 1 3.4387 bmse011735 1 21 21 1 0.0000 bmse011735 1 22 22 1 0.0000 bmse011735 1 23 23 1 2.6134 bmse011735 1 24 24 1 3.1911 bmse011735 1 25 25 1 0.0000 bmse011735 1 26 26 1 0.0000 bmse011735 1 27 27 1 0.0000 bmse011735 1 28 28 1 3.0811 bmse011735 1 29 29 1 2.6409 bmse011735 1 30 30 1 5.9421 bmse011735 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011735 1 2 bmse011735 1 3 bmse011735 1 4 bmse011735 1 5 bmse011735 1 6 bmse011735 1 7 bmse011735 1 8 bmse011735 1 9 bmse011735 1 10 bmse011735 1 11 bmse011735 1 12 bmse011735 1 13 bmse011735 1 14 bmse011735 1 15 bmse011735 1 16 bmse011735 1 17 bmse011735 1 18 bmse011735 1 19 bmse011735 1 20 bmse011735 1 21 bmse011735 1 22 bmse011735 1 23 bmse011735 1 24 bmse011735 1 25 bmse011735 1 26 bmse011735 1 27 bmse011735 1 28 bmse011735 1 29 bmse011735 1 30 bmse011735 1 31 bmse011735 1 32 bmse011735 1 33 bmse011735 1 34 bmse011735 1 35 bmse011735 1 36 bmse011735 1 37 bmse011735 1 38 bmse011735 1 39 bmse011735 1 40 bmse011735 1 41 bmse011735 1 42 bmse011735 1 43 bmse011735 1 44 bmse011735 1 45 bmse011735 1 46 bmse011735 1 47 bmse011735 1 48 bmse011735 1 49 bmse011735 1 50 bmse011735 1 51 bmse011735 1 52 bmse011735 1 53 bmse011735 1 54 bmse011735 1 55 bmse011735 1 56 bmse011735 1 57 bmse011735 1 58 bmse011735 1 59 bmse011735 1 60 bmse011735 1 61 bmse011735 1 62 bmse011735 1 63 bmse011735 1 64 bmse011735 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 8.5032 bmse011735 1 2 1 8.4991 bmse011735 1 3 1 8.4958 bmse011735 1 4 1 8.4924 bmse011735 1 5 1 8.4885 bmse011735 1 6 1 8.4793 bmse011735 1 7 1 8.4691 bmse011735 1 8 1 2.9355 bmse011735 1 9 1 7.4345 bmse011735 1 10 1 7.4447 bmse011735 1 11 1 8.1790 bmse011735 1 12 1 2.4854 bmse011735 1 13 1 3.8812 bmse011735 1 14 1 4.2081 bmse011735 1 15 1 7.2284 bmse011735 1 16 1 7.3780 bmse011735 1 17 1 7.3881 bmse011735 1 18 1 8.5410 bmse011735 1 19 1 8.5331 bmse011735 1 20 1 8.5309 bmse011735 1 21 1 3.7321 bmse011735 1 22 1 2.6953 bmse011735 1 23 1 2.8667 bmse011735 1 24 1 2.8598 bmse011735 1 25 1 8.4326 bmse011735 1 26 1 8.4249 bmse011735 1 27 1 8.4221 bmse011735 1 28 1 7.2650 bmse011735 1 29 1 7.2625 bmse011735 1 30 1 7.2573 bmse011735 1 31 1 7.2544 bmse011735 1 32 1 5.9860 bmse011735 1 33 1 3.8308 bmse011735 1 34 1 2.5142 bmse011735 1 35 1 2.5965 bmse011735 1 36 1 2.5998 bmse011735 1 37 1 2.6029 bmse011735 1 38 1 2.6060 bmse011735 1 39 1 2.6093 bmse011735 1 40 1 7.5049 bmse011735 1 41 1 7.4922 bmse011735 1 42 1 7.4898 bmse011735 1 43 1 7.4847 bmse011735 1 44 1 7.4819 bmse011735 1 45 1 7.6741 bmse011735 1 46 1 2.7168 bmse011735 1 47 1 8.6295 bmse011735 1 48 1 8.6224 bmse011735 1 49 1 8.6196 bmse011735 1 50 1 8.6148 bmse011735 1 51 1 8.6121 bmse011735 1 52 1 7.8191 bmse011735 1 53 1 7.8112 bmse011735 1 54 1 7.8085 bmse011735 1 55 1 3.0526 bmse011735 1 56 1 3.5752 bmse011735 1 57 1 8.7434 bmse011735 1 58 1 7.3567 bmse011735 1 59 1 7.3541 bmse011735 1 60 1 7.3464 bmse011735 1 61 1 2.3006 bmse011735 1 62 1 2.3050 bmse011735 1 63 1 7.5690 bmse011735 1 64 1 7.5591 bmse011735 1 stop_ save_