######################### # 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 bmse011191 _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 bmse011191 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 bmse011191 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011191 1 2 bmse011191 1 3 bmse011191 1 4 bmse011191 1 5 bmse011191 1 6 bmse011191 1 7 bmse011191 1 8 bmse011191 1 9 bmse011191 1 10 bmse011191 1 11 bmse011191 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 1.6125 16,17_m bmse011191 1 2 1 8.3887 9,10_d bmse011191 1 3 1 4.6500 SUP bmse011191 1 4 1 3.1677 6_m bmse011191 1 5 1 3.3599 7_q_Q3 bmse011191 1 6 1 1.0125 14,15,18_m bmse011191 1 7 1 2.6029 DMSO bmse011191 1 8 1 1.1752 14,15_m bmse011191 1 9 1 1.4562 18_m_Q1 bmse011191 1 10 1 7.3907 12,13_d bmse011191 1 11 1 2.8156 11_t_Q2 bmse011191 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 1 132.5196 bmse011191 1 2 2 1 6.0522 bmse011191 1 3 3 1 0.0000 bmse011191 1 4 4 1 8.0329 bmse011191 1 5 5 1 6.3823 bmse011191 1 6 6 1 127.3436 bmse011191 1 7 7 1 1.9807 bmse011191 1 8 8 1 3.6496 bmse011191 1 9 9 1 4.0494 bmse011191 1 10 10 1 6.2722 bmse011191 1 11 11 1 6.4923 bmse011191 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011191 1 2 bmse011191 1 3 bmse011191 1 4 bmse011191 1 5 bmse011191 1 6 bmse011191 1 7 bmse011191 1 8 bmse011191 1 9 bmse011191 1 10 bmse011191 1 11 bmse011191 1 12 bmse011191 1 13 bmse011191 1 14 bmse011191 1 15 bmse011191 1 16 bmse011191 1 17 bmse011191 1 18 bmse011191 1 19 bmse011191 1 20 bmse011191 1 21 bmse011191 1 22 bmse011191 1 23 bmse011191 1 24 bmse011191 1 25 bmse011191 1 26 bmse011191 1 27 bmse011191 1 28 bmse011191 1 29 bmse011191 1 30 bmse011191 1 31 bmse011191 1 32 bmse011191 1 33 bmse011191 1 34 bmse011191 1 35 bmse011191 1 36 bmse011191 1 37 bmse011191 1 38 bmse011191 1 39 bmse011191 1 40 bmse011191 1 41 bmse011191 1 42 bmse011191 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 1.7229 bmse011191 1 2 1 1.5021 bmse011191 1 3 1 8.3836 bmse011191 1 4 1 8.3937 bmse011191 1 5 1 4.6500 bmse011191 1 6 1 3.1744 bmse011191 1 7 1 3.1610 bmse011191 1 8 1 3.3440 bmse011191 1 9 1 3.3546 bmse011191 1 10 1 3.3654 bmse011191 1 11 1 3.3759 bmse011191 1 12 1 1.1186 bmse011191 1 13 1 0.9064 bmse011191 1 14 1 2.5963 bmse011191 1 15 1 2.6000 bmse011191 1 16 1 2.6029 bmse011191 1 17 1 2.6058 bmse011191 1 18 1 2.6095 bmse011191 1 19 1 1.2117 bmse011191 1 20 1 1.2062 bmse011191 1 21 1 1.2003 bmse011191 1 22 1 1.1924 bmse011191 1 23 1 1.1917 bmse011191 1 24 1 1.1865 bmse011191 1 25 1 1.1801 bmse011191 1 26 1 1.1656 bmse011191 1 27 1 1.1592 bmse011191 1 28 1 1.1501 bmse011191 1 29 1 1.1497 bmse011191 1 30 1 1.1444 bmse011191 1 31 1 1.1387 bmse011191 1 32 1 1.4731 bmse011191 1 33 1 1.4669 bmse011191 1 34 1 1.4605 bmse011191 1 35 1 1.4515 bmse011191 1 36 1 1.4449 bmse011191 1 37 1 1.4394 bmse011191 1 38 1 7.3855 bmse011191 1 39 1 7.3960 bmse011191 1 40 1 2.8048 bmse011191 1 41 1 2.8156 bmse011191 1 42 1 2.8264 bmse011191 1 stop_ save_