######################### # 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 bmse011580 _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 bmse011580 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 bmse011580 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011580 1 2 bmse011580 1 3 bmse011580 1 4 bmse011580 1 5 bmse011580 1 6 bmse011580 1 7 bmse011580 1 8 bmse011580 1 9 bmse011580 1 10 bmse011580 1 11 bmse011580 1 12 bmse011580 1 13 bmse011580 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 2.6028 DMSO bmse011580 1 2 1 6.9258 m_1H bmse011580 1 3 1 7.7216 s_1H bmse011580 1 4 1 2.7173 Imp2 bmse011580 1 5 1 1.5509 d_1H bmse011580 1 6 1 1.6356 d_6H bmse011580 1 7 1 2.9555 t_3H bmse011580 1 8 1 6.8345 d_1H_Q1 bmse011580 1 9 1 2.0672 m_1H bmse011580 1 10 1 3.3591 q_3H bmse011580 1 11 1 4.6500 SUP bmse011580 1 12 1 7.2072 d_1H bmse011580 1 13 1 1.1493 m_6H bmse011580 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 2.0082 bmse011580 1 2 2 1 4.2365 bmse011580 1 3 3 1 0.0000 bmse011580 1 4 4 1 0.0000 bmse011580 1 5 5 1 13.0947 bmse011580 1 6 6 1 12.1043 bmse011580 1 7 7 1 6.4923 bmse011580 1 8 8 1 3.1911 bmse011580 1 9 9 1 5.2819 bmse011580 1 10 10 1 6.3456 bmse011580 1 11 11 1 0.0000 bmse011580 1 12 12 1 4.9518 bmse011580 1 13 13 1 6.4082 bmse011580 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011580 1 2 bmse011580 1 3 bmse011580 1 4 bmse011580 1 5 bmse011580 1 6 bmse011580 1 7 bmse011580 1 8 bmse011580 1 9 bmse011580 1 10 bmse011580 1 11 bmse011580 1 12 bmse011580 1 13 bmse011580 1 14 bmse011580 1 15 bmse011580 1 16 bmse011580 1 17 bmse011580 1 18 bmse011580 1 19 bmse011580 1 20 bmse011580 1 21 bmse011580 1 22 bmse011580 1 23 bmse011580 1 24 bmse011580 1 25 bmse011580 1 26 bmse011580 1 27 bmse011580 1 28 bmse011580 1 29 bmse011580 1 30 bmse011580 1 31 bmse011580 1 32 bmse011580 1 33 bmse011580 1 34 bmse011580 1 35 bmse011580 1 36 bmse011580 1 37 bmse011580 1 38 bmse011580 1 39 bmse011580 1 40 bmse011580 1 41 bmse011580 1 42 bmse011580 1 43 bmse011580 1 44 bmse011580 1 45 bmse011580 1 46 bmse011580 1 47 bmse011580 1 48 bmse011580 1 49 bmse011580 1 50 bmse011580 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 2.5961 bmse011580 1 2 1 2.6001 bmse011580 1 3 1 2.6029 bmse011580 1 4 1 2.6055 bmse011580 1 5 1 2.6095 bmse011580 1 6 1 6.9328 bmse011580 1 7 1 6.9269 bmse011580 1 8 1 6.9187 bmse011580 1 9 1 7.7216 bmse011580 1 10 1 2.7173 bmse011580 1 11 1 1.5400 bmse011580 1 12 1 1.5619 bmse011580 1 13 1 1.6255 bmse011580 1 14 1 1.6456 bmse011580 1 15 1 2.9447 bmse011580 1 16 1 2.9555 bmse011580 1 17 1 2.9663 bmse011580 1 18 1 6.8318 bmse011580 1 19 1 6.8371 bmse011580 1 20 1 2.0892 bmse011580 1 21 1 2.0842 bmse011580 1 22 1 2.0697 bmse011580 1 23 1 2.0648 bmse011580 1 24 1 2.0501 bmse011580 1 25 1 2.0452 bmse011580 1 26 1 3.3432 bmse011580 1 27 1 3.3539 bmse011580 1 28 1 3.3643 bmse011580 1 29 1 3.3750 bmse011580 1 30 1 4.6500 bmse011580 1 31 1 7.2031 bmse011580 1 32 1 7.2113 bmse011580 1 33 1 1.2401 bmse011580 1 34 1 1.2331 bmse011580 1 35 1 1.2175 bmse011580 1 36 1 1.2122 bmse011580 1 37 1 1.1941 bmse011580 1 38 1 1.1761 bmse011580 1 39 1 1.1625 bmse011580 1 40 1 1.1601 bmse011580 1 41 1 1.1440 bmse011580 1 42 1 1.1387 bmse011580 1 43 1 1.1231 bmse011580 1 44 1 1.1189 bmse011580 1 45 1 1.1165 bmse011580 1 46 1 1.1000 bmse011580 1 47 1 1.0837 bmse011580 1 48 1 1.0789 bmse011580 1 49 1 1.0635 bmse011580 1 50 1 1.0586 bmse011580 1 stop_ save_