######################### # 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 bmse011622 _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 bmse011622 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 bmse011622 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011622 1 2 bmse011622 1 3 bmse011622 1 4 bmse011622 1 5 bmse011622 1 6 bmse011622 1 7 bmse011622 1 8 bmse011622 1 9 bmse011622 1 10 bmse011622 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 2.0161 13_m_Q2 bmse011622 1 2 1 2.6030 DMSO bmse011622 1 3 1 1.4411 13_m_Q1 bmse011622 1 4 1 4.6500 SUP bmse011622 1 5 1 2.1283 8,14_m bmse011622 1 6 1 1.2094 15_d bmse011622 1 7 1 3.9862 3,5_m_Q3 bmse011622 1 8 1 1.8929 8_m bmse011622 1 9 1 2.2401 14_m bmse011622 1 10 1 3.5035 10,11_m bmse011622 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 3.4112 bmse011622 1 2 2 1 1.9532 bmse011622 1 3 3 1 5.5491 bmse011622 1 4 4 1 0.0000 bmse011622 1 5 5 1 82.0651 bmse011622 1 6 6 1 6.2722 bmse011622 1 7 7 1 158.4023 bmse011622 1 8 8 1 3.4620 bmse011622 1 9 9 1 5.6533 bmse011622 1 10 10 1 104.6577 bmse011622 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011622 1 2 bmse011622 1 3 bmse011622 1 4 bmse011622 1 5 bmse011622 1 6 bmse011622 1 7 bmse011622 1 8 bmse011622 1 9 bmse011622 1 10 bmse011622 1 11 bmse011622 1 12 bmse011622 1 13 bmse011622 1 14 bmse011622 1 15 bmse011622 1 16 bmse011622 1 17 bmse011622 1 18 bmse011622 1 19 bmse011622 1 20 bmse011622 1 21 bmse011622 1 22 bmse011622 1 23 bmse011622 1 24 bmse011622 1 25 bmse011622 1 26 bmse011622 1 27 bmse011622 1 28 bmse011622 1 29 bmse011622 1 30 bmse011622 1 31 bmse011622 1 32 bmse011622 1 33 bmse011622 1 34 bmse011622 1 35 bmse011622 1 36 bmse011622 1 37 bmse011622 1 38 bmse011622 1 39 bmse011622 1 40 bmse011622 1 41 bmse011622 1 42 bmse011622 1 43 bmse011622 1 44 bmse011622 1 45 bmse011622 1 46 bmse011622 1 47 bmse011622 1 48 bmse011622 1 49 bmse011622 1 50 bmse011622 1 51 bmse011622 1 52 bmse011622 1 53 bmse011622 1 54 bmse011622 1 55 bmse011622 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 2.0417 bmse011622 1 2 1 2.0321 bmse011622 1 3 1 2.0252 bmse011622 1 4 1 2.0211 bmse011622 1 5 1 2.0186 bmse011622 1 6 1 2.0112 bmse011622 1 7 1 2.0041 bmse011622 1 8 1 2.0011 bmse011622 1 9 1 1.9982 bmse011622 1 10 1 1.9905 bmse011622 1 11 1 2.5965 bmse011622 1 12 1 2.6000 bmse011622 1 13 1 2.6029 bmse011622 1 14 1 2.6060 bmse011622 1 15 1 2.6095 bmse011622 1 16 1 1.4735 bmse011622 1 17 1 1.4586 bmse011622 1 18 1 1.4528 bmse011622 1 19 1 1.4440 bmse011622 1 20 1 1.4381 bmse011622 1 21 1 1.4293 bmse011622 1 22 1 1.4234 bmse011622 1 23 1 1.4088 bmse011622 1 24 1 4.6500 bmse011622 1 25 1 2.1967 bmse011622 1 26 1 2.0599 bmse011622 1 27 1 1.2041 bmse011622 1 28 1 1.2146 bmse011622 1 29 1 4.1182 bmse011622 1 30 1 3.8543 bmse011622 1 31 1 1.9304 bmse011622 1 32 1 1.9230 bmse011622 1 33 1 1.9212 bmse011622 1 34 1 1.9208 bmse011622 1 35 1 1.9150 bmse011622 1 36 1 1.9082 bmse011622 1 37 1 1.8996 bmse011622 1 38 1 1.8932 bmse011622 1 39 1 1.8871 bmse011622 1 40 1 1.8853 bmse011622 1 41 1 1.8779 bmse011622 1 42 1 1.8712 bmse011622 1 43 1 1.8640 bmse011622 1 44 1 1.8554 bmse011622 1 45 1 2.2778 bmse011622 1 46 1 2.2639 bmse011622 1 47 1 2.2566 bmse011622 1 48 1 2.2501 bmse011622 1 49 1 2.2430 bmse011622 1 50 1 2.2373 bmse011622 1 51 1 2.2290 bmse011622 1 52 1 2.2149 bmse011622 1 53 1 2.2025 bmse011622 1 54 1 3.5906 bmse011622 1 55 1 3.4163 bmse011622 1 stop_ save_