######################### # 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 bmse011235 _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 bmse011235 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 bmse011235 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011235 1 2 bmse011235 1 3 bmse011235 1 4 bmse011235 1 5 bmse011235 1 7 bmse011235 1 8 bmse011235 1 9 bmse011235 1 10 bmse011235 1 11 bmse011235 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 1.8948 12_m_Q1 bmse011235 1 2 1 8.2292 7_m bmse011235 1 3 1 4.6500 SUP bmse011235 1 4 1 3.1253 6_quint bmse011235 1 5 1 7.7200 10_dd_Q3 bmse011235 1 6 1 2.6137 DMSO_13,14_m bmse011235 1 7 1 2.4691 15_s bmse011235 1 8 1 4.3153 8_m bmse011235 1 9 1 7.3369 11_d_Q2 bmse011235 1 10 1 2.0694 12,13,14_m bmse011235 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 7.8128 bmse011235 1 2 2 1 13.4798 bmse011235 1 3 3 1 0.0000 bmse011235 1 4 4 1 8.8307 bmse011235 1 5 5 1 8.1429 bmse011235 1 6 5 1 2.0907 bmse011235 1 7 6 1 67.9383 bmse011235 1 8 7 1 0.0000 bmse011235 1 9 8 1 6.0522 bmse011235 1 10 9 1 8.1429 bmse011235 1 11 10 1 68.1094 bmse011235 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011235 1 2 bmse011235 1 3 bmse011235 1 4 bmse011235 1 5 bmse011235 1 6 bmse011235 1 7 bmse011235 1 8 bmse011235 1 9 bmse011235 1 10 bmse011235 1 11 bmse011235 1 12 bmse011235 1 13 bmse011235 1 14 bmse011235 1 15 bmse011235 1 16 bmse011235 1 17 bmse011235 1 18 bmse011235 1 19 bmse011235 1 20 bmse011235 1 21 bmse011235 1 22 bmse011235 1 23 bmse011235 1 24 bmse011235 1 25 bmse011235 1 26 bmse011235 1 27 bmse011235 1 28 bmse011235 1 29 bmse011235 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 1.9339 bmse011235 1 2 1 1.9190 bmse011235 1 3 1 1.9159 bmse011235 1 4 1 1.9012 bmse011235 1 5 1 1.8864 bmse011235 1 6 1 1.8712 bmse011235 1 7 1 1.8558 bmse011235 1 8 1 8.2516 bmse011235 1 9 1 8.2489 bmse011235 1 10 1 8.2067 bmse011235 1 11 1 4.6500 bmse011235 1 12 1 3.0959 bmse011235 1 13 1 3.1108 bmse011235 1 14 1 3.1254 bmse011235 1 15 1 3.1401 bmse011235 1 16 1 3.1548 bmse011235 1 17 1 7.7285 bmse011235 1 18 1 7.7251 bmse011235 1 19 1 7.7150 bmse011235 1 20 1 7.7115 bmse011235 1 21 1 2.6703 bmse011235 1 22 1 2.5571 bmse011235 1 23 1 2.4691 bmse011235 1 24 1 4.3203 bmse011235 1 25 1 4.3102 bmse011235 1 26 1 7.3301 bmse011235 1 27 1 7.3437 bmse011235 1 28 1 2.1261 bmse011235 1 29 1 2.0127 bmse011235 1 stop_ save_