######################### # 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 bmse011223 _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 bmse011223 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 bmse011223 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011223 1 2 bmse011223 1 3 bmse011223 1 4 bmse011223 1 5 bmse011223 1 6 bmse011223 1 9 bmse011223 1 10 bmse011223 1 11 bmse011223 1 12 bmse011223 1 14 bmse011223 1 15 bmse011223 1 16 bmse011223 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 3.7838 m_2H bmse011223 1 2 1 1.8590 m_3H bmse011223 1 3 1 3.7064 m_2H bmse011223 1 4 1 4.0970 m_1H bmse011223 1 5 1 2.7164 Imp2 bmse011223 1 6 1 1.5836 ddd_2H bmse011223 1 7 1 4.6500 SUP bmse011223 1 8 1 1.9900 m_2H bmse011223 1 9 1 6.1708 s_1H bmse011223 1 10 1 3.3617 dd_2H_Q1 bmse011223 1 11 1 3.2638 m_2H bmse011223 1 12 1 2.0873 s_6H bmse011223 1 13 1 2.6030 DMSO bmse011223 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 7.3360 bmse011223 1 2 2 1 5.1888 bmse011223 1 3 3 1 7.2993 bmse011223 1 4 4 1 3.5841 bmse011223 1 5 5 1 0.0000 bmse011223 1 6 6 1 15.2680 bmse011223 1 7 6 1 12.7371 bmse011223 1 8 6 1 7.2351 bmse011223 1 9 7 1 0.0000 bmse011223 1 10 8 1 3.3452 bmse011223 1 11 9 1 0.0000 bmse011223 1 12 10 1 13.7549 bmse011223 1 13 10 1 3.9614 bmse011223 1 14 11 1 7.0058 bmse011223 1 15 12 1 0.0000 bmse011223 1 16 13 1 1.9532 bmse011223 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011223 1 2 bmse011223 1 3 bmse011223 1 4 bmse011223 1 5 bmse011223 1 6 bmse011223 1 7 bmse011223 1 8 bmse011223 1 9 bmse011223 1 10 bmse011223 1 11 bmse011223 1 12 bmse011223 1 13 bmse011223 1 14 bmse011223 1 15 bmse011223 1 16 bmse011223 1 17 bmse011223 1 18 bmse011223 1 19 bmse011223 1 20 bmse011223 1 21 bmse011223 1 22 bmse011223 1 23 bmse011223 1 24 bmse011223 1 25 bmse011223 1 26 bmse011223 1 27 bmse011223 1 28 bmse011223 1 29 bmse011223 1 30 bmse011223 1 31 bmse011223 1 32 bmse011223 1 33 bmse011223 1 34 bmse011223 1 35 bmse011223 1 36 bmse011223 1 37 bmse011223 1 38 bmse011223 1 39 bmse011223 1 40 bmse011223 1 41 bmse011223 1 42 bmse011223 1 43 bmse011223 1 44 bmse011223 1 45 bmse011223 1 46 bmse011223 1 47 bmse011223 1 48 bmse011223 1 49 bmse011223 1 50 bmse011223 1 51 bmse011223 1 52 bmse011223 1 53 bmse011223 1 54 bmse011223 1 55 bmse011223 1 56 bmse011223 1 57 bmse011223 1 58 bmse011223 1 59 bmse011223 1 60 bmse011223 1 61 bmse011223 1 62 bmse011223 1 63 bmse011223 1 64 bmse011223 1 65 bmse011223 1 66 bmse011223 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 3.8022 bmse011223 1 2 1 3.7902 bmse011223 1 3 1 3.7772 bmse011223 1 4 1 3.7655 bmse011223 1 5 1 1.9152 bmse011223 1 6 1 1.9045 bmse011223 1 7 1 1.8946 bmse011223 1 8 1 1.8838 bmse011223 1 9 1 1.8823 bmse011223 1 10 1 1.8724 bmse011223 1 11 1 1.8607 bmse011223 1 12 1 1.8490 bmse011223 1 13 1 1.8402 bmse011223 1 14 1 1.8360 bmse011223 1 15 1 1.8279 bmse011223 1 16 1 1.8235 bmse011223 1 17 1 1.8151 bmse011223 1 18 1 1.8028 bmse011223 1 19 1 3.7246 bmse011223 1 20 1 3.7120 bmse011223 1 21 1 3.7015 bmse011223 1 22 1 3.6881 bmse011223 1 23 1 4.1179 bmse011223 1 24 1 4.1113 bmse011223 1 25 1 4.1062 bmse011223 1 26 1 4.0997 bmse011223 1 27 1 4.0944 bmse011223 1 28 1 4.0878 bmse011223 1 29 1 4.0827 bmse011223 1 30 1 4.0761 bmse011223 1 31 1 2.7164 bmse011223 1 32 1 1.6130 bmse011223 1 33 1 1.6009 bmse011223 1 34 1 1.5914 bmse011223 1 35 1 1.5798 bmse011223 1 36 1 1.5875 bmse011223 1 37 1 1.5752 bmse011223 1 38 1 1.5664 bmse011223 1 39 1 1.5541 bmse011223 1 40 1 4.6500 bmse011223 1 41 1 2.0178 bmse011223 1 42 1 2.0089 bmse011223 1 43 1 2.0081 bmse011223 1 44 1 2.0050 bmse011223 1 45 1 1.9964 bmse011223 1 46 1 1.9925 bmse011223 1 47 1 1.9922 bmse011223 1 48 1 1.9876 bmse011223 1 49 1 1.9832 bmse011223 1 50 1 1.9742 bmse011223 1 51 1 1.9621 bmse011223 1 52 1 6.1708 bmse011223 1 53 1 3.3764 bmse011223 1 54 1 3.3698 bmse011223 1 55 1 3.3535 bmse011223 1 56 1 3.3469 bmse011223 1 57 1 3.2813 bmse011223 1 58 1 3.2695 bmse011223 1 59 1 3.2582 bmse011223 1 60 1 3.2463 bmse011223 1 61 1 2.0873 bmse011223 1 62 1 2.5965 bmse011223 1 63 1 2.6001 bmse011223 1 64 1 2.6031 bmse011223 1 65 1 2.6058 bmse011223 1 66 1 2.6095 bmse011223 1 stop_ save_