######################### # 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 bmse011081 _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 bmse011081 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 bmse011081 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011081 1 2 bmse011081 1 3 bmse011081 1 4 bmse011081 1 5 bmse011081 1 6 bmse011081 1 7 bmse011081 1 8 bmse011081 1 9 bmse011081 1 10 bmse011081 1 11 bmse011081 1 12 bmse011081 1 13 bmse011081 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 1.0787 m_4H bmse011081 1 2 1 1.4138 m_2H bmse011081 1 3 1 2.3788 m_2H bmse011081 1 4 1 1.6187 m_3H bmse011081 1 5 1 1.7094 m_3H bmse011081 1 6 1 2.7158 Imp2 bmse011081 1 7 1 1.5052 m_4H bmse011081 1 8 1 7.5149 d_1H bmse011081 1 9 1 2.6028 DMSO bmse011081 1 10 1 7.4719 t_1H bmse011081 1 11 1 3.2694 s_1H bmse011081 1 12 1 7.8215 s_1H_Q1 bmse011081 1 13 1 7.6065 m_1H bmse011081 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 7.9503 bmse011081 1 2 2 1 4.5116 bmse011081 1 3 3 1 7.5377 bmse011081 1 4 4 1 7.1159 bmse011081 1 5 5 1 5.7771 bmse011081 1 6 6 1 0.0000 bmse011081 1 7 7 1 5.1939 bmse011081 1 8 8 1 7.2626 bmse011081 1 9 9 1 2.0082 bmse011081 1 10 10 1 7.9228 bmse011081 1 11 11 1 0.0000 bmse011081 1 12 12 1 0.0000 bmse011081 1 13 13 1 8.2530 bmse011081 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011081 1 2 bmse011081 1 3 bmse011081 1 4 bmse011081 1 5 bmse011081 1 6 bmse011081 1 7 bmse011081 1 8 bmse011081 1 9 bmse011081 1 10 bmse011081 1 11 bmse011081 1 12 bmse011081 1 13 bmse011081 1 14 bmse011081 1 15 bmse011081 1 16 bmse011081 1 17 bmse011081 1 18 bmse011081 1 19 bmse011081 1 20 bmse011081 1 21 bmse011081 1 22 bmse011081 1 23 bmse011081 1 24 bmse011081 1 25 bmse011081 1 26 bmse011081 1 27 bmse011081 1 28 bmse011081 1 29 bmse011081 1 30 bmse011081 1 31 bmse011081 1 32 bmse011081 1 33 bmse011081 1 34 bmse011081 1 35 bmse011081 1 36 bmse011081 1 37 bmse011081 1 38 bmse011081 1 39 bmse011081 1 40 bmse011081 1 41 bmse011081 1 42 bmse011081 1 43 bmse011081 1 44 bmse011081 1 45 bmse011081 1 46 bmse011081 1 47 bmse011081 1 48 bmse011081 1 49 bmse011081 1 50 bmse011081 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 1.1317 bmse011081 1 2 1 1.1040 bmse011081 1 3 1 1.0923 bmse011081 1 4 1 1.0804 bmse011081 1 5 1 1.0582 bmse011081 1 6 1 1.0476 bmse011081 1 7 1 1.0465 bmse011081 1 8 1 1.0430 bmse011081 1 9 1 1.0257 bmse011081 1 10 1 1.4326 bmse011081 1 11 1 1.4249 bmse011081 1 12 1 1.4209 bmse011081 1 13 1 1.4122 bmse011081 1 14 1 1.4007 bmse011081 1 15 1 1.3950 bmse011081 1 16 1 2.3913 bmse011081 1 17 1 2.3788 bmse011081 1 18 1 2.3662 bmse011081 1 19 1 1.6365 bmse011081 1 20 1 1.6242 bmse011081 1 21 1 1.6123 bmse011081 1 22 1 1.6009 bmse011081 1 23 1 1.7382 bmse011081 1 24 1 1.7269 bmse011081 1 25 1 1.7148 bmse011081 1 26 1 1.7078 bmse011081 1 27 1 1.7012 bmse011081 1 28 1 1.6997 bmse011081 1 29 1 1.6805 bmse011081 1 30 1 2.7158 bmse011081 1 31 1 1.5268 bmse011081 1 32 1 1.5155 bmse011081 1 33 1 1.5131 bmse011081 1 34 1 1.5046 bmse011081 1 35 1 1.4859 bmse011081 1 36 1 1.4836 bmse011081 1 37 1 7.5089 bmse011081 1 38 1 7.5210 bmse011081 1 39 1 2.5961 bmse011081 1 40 1 2.6000 bmse011081 1 41 1 2.6027 bmse011081 1 42 1 2.6055 bmse011081 1 43 1 2.6095 bmse011081 1 44 1 7.4587 bmse011081 1 45 1 7.4717 bmse011081 1 46 1 7.4851 bmse011081 1 47 1 3.2694 bmse011081 1 48 1 7.8215 bmse011081 1 49 1 7.5996 bmse011081 1 50 1 7.6134 bmse011081 1 stop_ save_