######################### # 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 bmse011475 _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 bmse011475 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 bmse011475 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011475 1 2 bmse011475 1 3 bmse011475 1 4 bmse011475 1 6 bmse011475 1 7 bmse011475 1 8 bmse011475 1 9 bmse011475 1 10 bmse011475 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 bmse011475 1 2 1 1.9208 8_m bmse011475 1 3 1 2.0441 6_m bmse011475 1 4 1 3.6958 7_dd_Q3 bmse011475 1 5 1 1.7975 6_m_Q1 bmse011475 1 6 1 2.1644 8_m bmse011475 1 7 1 2.5977 DMSO_2,3_m bmse011475 1 8 1 2.8605 4_s_Q2 bmse011475 1 9 1 3.8524 7_dd bmse011475 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 bmse011475 1 2 2 1 5.1404 bmse011475 1 3 3 1 5.9107 bmse011475 1 4 4 1 12.7646 bmse011475 1 5 4 1 5.5020 bmse011475 1 6 5 1 4.1815 bmse011475 1 7 6 1 7.3286 bmse011475 1 8 7 1 52.2997 bmse011475 1 9 8 1 0.0000 bmse011475 1 10 9 1 12.5995 bmse011475 1 11 9 1 3.6863 bmse011475 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011475 1 2 bmse011475 1 3 bmse011475 1 4 bmse011475 1 5 bmse011475 1 6 bmse011475 1 7 bmse011475 1 8 bmse011475 1 9 bmse011475 1 10 bmse011475 1 11 bmse011475 1 12 bmse011475 1 13 bmse011475 1 14 bmse011475 1 15 bmse011475 1 16 bmse011475 1 17 bmse011475 1 18 bmse011475 1 19 bmse011475 1 20 bmse011475 1 21 bmse011475 1 22 bmse011475 1 23 bmse011475 1 24 bmse011475 1 25 bmse011475 1 26 bmse011475 1 27 bmse011475 1 28 bmse011475 1 29 bmse011475 1 30 bmse011475 1 31 bmse011475 1 32 bmse011475 1 33 bmse011475 1 34 bmse011475 1 35 bmse011475 1 36 bmse011475 1 37 bmse011475 1 38 bmse011475 1 39 bmse011475 1 40 bmse011475 1 41 bmse011475 1 42 bmse011475 1 43 bmse011475 1 44 bmse011475 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 bmse011475 1 2 1 1.9507 bmse011475 1 3 1 1.9449 bmse011475 1 4 1 1.9362 bmse011475 1 5 1 1.9236 bmse011475 1 6 1 1.9115 bmse011475 1 7 1 1.9043 bmse011475 1 8 1 1.9003 bmse011475 1 9 1 1.8908 bmse011475 1 10 1 2.0785 bmse011475 1 11 1 2.0675 bmse011475 1 12 1 2.0650 bmse011475 1 13 1 2.0558 bmse011475 1 14 1 2.0463 bmse011475 1 15 1 2.0327 bmse011475 1 16 1 2.0233 bmse011475 1 17 1 2.0096 bmse011475 1 18 1 3.7110 bmse011475 1 19 1 3.7019 bmse011475 1 20 1 3.6898 bmse011475 1 21 1 3.6806 bmse011475 1 22 1 1.8288 bmse011475 1 23 1 1.8180 bmse011475 1 24 1 1.8141 bmse011475 1 25 1 1.8059 bmse011475 1 26 1 1.8042 bmse011475 1 27 1 1.7984 bmse011475 1 28 1 1.7914 bmse011475 1 29 1 1.7809 bmse011475 1 30 1 1.7767 bmse011475 1 31 1 1.7661 bmse011475 1 32 1 2.1949 bmse011475 1 33 1 2.1808 bmse011475 1 34 1 2.1707 bmse011475 1 35 1 2.1579 bmse011475 1 36 1 2.1482 bmse011475 1 37 1 2.1339 bmse011475 1 38 1 2.6412 bmse011475 1 39 1 2.5541 bmse011475 1 40 1 2.8605 bmse011475 1 41 1 3.8660 bmse011475 1 42 1 3.8597 bmse011475 1 43 1 3.8449 bmse011475 1 44 1 3.8388 bmse011475 1 stop_ save_