######################### # 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 bmse011525 _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 bmse011525 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 bmse011525 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011525 1 2 bmse011525 1 3 bmse011525 1 6 bmse011525 1 7 bmse011525 1 8 bmse011525 1 9 bmse011525 1 10 bmse011525 1 11 bmse011525 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 2.1274 9,10_m bmse011525 1 2 1 2.6028 DMSO bmse011525 1 3 1 1.5831 9,10_ddd_Q1 bmse011525 1 4 1 6.7856 6_d bmse011525 1 5 1 3.1262 7,8_m bmse011525 1 6 1 4.6500 SUP bmse011525 1 7 1 2.4586 14_s_Q2 bmse011525 1 8 1 7.9287 11_d bmse011525 1 9 1 3.5249 12_m_Q3 bmse011525 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 3.6038 bmse011525 1 2 2 1 1.8432 bmse011525 1 3 3 1 24.9239 bmse011525 1 4 3 1 12.7095 bmse011525 1 5 3 1 4.2915 bmse011525 1 6 4 1 7.4827 bmse011525 1 7 5 1 7.0425 bmse011525 1 8 6 1 0.0000 bmse011525 1 9 7 1 0.0000 bmse011525 1 10 8 1 7.3726 bmse011525 1 11 9 1 4.0027 bmse011525 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011525 1 2 bmse011525 1 3 bmse011525 1 4 bmse011525 1 5 bmse011525 1 6 bmse011525 1 7 bmse011525 1 8 bmse011525 1 9 bmse011525 1 10 bmse011525 1 11 bmse011525 1 12 bmse011525 1 13 bmse011525 1 14 bmse011525 1 15 bmse011525 1 16 bmse011525 1 17 bmse011525 1 18 bmse011525 1 19 bmse011525 1 20 bmse011525 1 21 bmse011525 1 22 bmse011525 1 23 bmse011525 1 24 bmse011525 1 25 bmse011525 1 26 bmse011525 1 27 bmse011525 1 28 bmse011525 1 29 bmse011525 1 30 bmse011525 1 31 bmse011525 1 32 bmse011525 1 33 bmse011525 1 34 bmse011525 1 35 bmse011525 1 36 bmse011525 1 37 bmse011525 1 38 bmse011525 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 2.1394 bmse011525 1 2 1 2.1365 bmse011525 1 3 1 2.1275 bmse011525 1 4 1 2.1183 bmse011525 1 5 1 2.1154 bmse011525 1 6 1 2.5967 bmse011525 1 7 1 2.5998 bmse011525 1 8 1 2.6029 bmse011525 1 9 1 2.6060 bmse011525 1 10 1 2.6089 bmse011525 1 11 1 1.6181 bmse011525 1 12 1 1.6108 bmse011525 1 13 1 1.5967 bmse011525 1 14 1 1.5897 bmse011525 1 15 1 1.5763 bmse011525 1 16 1 1.5694 bmse011525 1 17 1 1.5554 bmse011525 1 18 1 1.5481 bmse011525 1 19 1 6.7794 bmse011525 1 20 1 6.7918 bmse011525 1 21 1 3.1496 bmse011525 1 22 1 3.1463 bmse011525 1 23 1 3.1262 bmse011525 1 24 1 3.1064 bmse011525 1 25 1 3.1027 bmse011525 1 26 1 4.6500 bmse011525 1 27 1 2.4586 bmse011525 1 28 1 7.9225 bmse011525 1 29 1 7.9348 bmse011525 1 30 1 3.5515 bmse011525 1 31 1 3.5444 bmse011525 1 32 1 3.5370 bmse011525 1 33 1 3.5321 bmse011525 1 34 1 3.5249 bmse011525 1 35 1 3.5178 bmse011525 1 36 1 3.5127 bmse011525 1 37 1 3.5055 bmse011525 1 38 1 3.4982 bmse011525 1 stop_ save_