######################### # 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 bmse011229 _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 bmse011229 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 bmse011229 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011229 1 2 bmse011229 1 3 bmse011229 1 4 bmse011229 1 5 bmse011229 1 6 bmse011229 1 7 bmse011229 1 8 bmse011229 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 bmse011229 1 2 1 1.1125 12,13_m bmse011229 1 3 1 1.7247 12,13_m_Q1 bmse011229 1 4 1 2.4384 9_d bmse011229 1 5 1 2.2452 11_s_Q3 bmse011229 1 6 1 2.6032 DMSO bmse011229 1 7 1 1.5159 14,15_m bmse011229 1 8 1 2.1638 10_m_Q2 bmse011229 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 bmse011229 1 2 2 1 2.8170 bmse011229 1 3 3 1 3.3745 bmse011229 1 4 4 1 7.4827 bmse011229 1 5 5 1 0.0000 bmse011229 1 6 6 1 1.8432 bmse011229 1 7 7 1 136.4158 bmse011229 1 8 8 1 7.8128 bmse011229 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011229 1 2 bmse011229 1 3 bmse011229 1 4 bmse011229 1 5 bmse011229 1 6 bmse011229 1 7 bmse011229 1 8 bmse011229 1 9 bmse011229 1 10 bmse011229 1 11 bmse011229 1 12 bmse011229 1 13 bmse011229 1 14 bmse011229 1 15 bmse011229 1 16 bmse011229 1 17 bmse011229 1 18 bmse011229 1 19 bmse011229 1 20 bmse011229 1 21 bmse011229 1 22 bmse011229 1 23 bmse011229 1 24 bmse011229 1 25 bmse011229 1 26 bmse011229 1 27 bmse011229 1 28 bmse011229 1 29 bmse011229 1 30 bmse011229 1 31 bmse011229 1 32 bmse011229 1 33 bmse011229 1 34 bmse011229 1 35 bmse011229 1 36 bmse011229 1 37 bmse011229 1 38 bmse011229 1 39 bmse011229 1 40 bmse011229 1 41 bmse011229 1 42 bmse011229 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 bmse011229 1 2 1 1.1477 bmse011229 1 3 1 1.1387 bmse011229 1 4 1 1.1339 bmse011229 1 5 1 1.1270 bmse011229 1 6 1 1.1246 bmse011229 1 7 1 1.1242 bmse011229 1 8 1 1.1205 bmse011229 1 9 1 1.1134 bmse011229 1 10 1 1.1103 bmse011229 1 11 1 1.1071 bmse011229 1 12 1 1.1046 bmse011229 1 13 1 1.1002 bmse011229 1 14 1 1.0928 bmse011229 1 15 1 1.0873 bmse011229 1 16 1 1.0809 bmse011229 1 17 1 1.0773 bmse011229 1 18 1 1.7500 bmse011229 1 19 1 1.7452 bmse011229 1 20 1 1.7395 bmse011229 1 21 1 1.7309 bmse011229 1 22 1 1.7285 bmse011229 1 23 1 1.7236 bmse011229 1 24 1 1.7188 bmse011229 1 25 1 1.7113 bmse011229 1 26 1 1.7049 bmse011229 1 27 1 1.6994 bmse011229 1 28 1 2.4322 bmse011229 1 29 1 2.4447 bmse011229 1 30 1 2.2452 bmse011229 1 31 1 2.5970 bmse011229 1 32 1 2.6000 bmse011229 1 33 1 2.6031 bmse011229 1 34 1 2.6062 bmse011229 1 35 1 2.6093 bmse011229 1 36 1 1.6296 bmse011229 1 37 1 1.4023 bmse011229 1 38 1 2.1898 bmse011229 1 39 1 2.1766 bmse011229 1 40 1 2.1638 bmse011229 1 41 1 2.1509 bmse011229 1 42 1 2.1377 bmse011229 1 stop_ save_