######################### # 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 bmse011512 _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 bmse011512 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 bmse011512 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011512 1 2 bmse011512 1 3 bmse011512 1 4 bmse011512 1 5 bmse011512 1 6 bmse011512 1 8 bmse011512 1 9 bmse011512 1 10 bmse011512 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 3.6301 m_3H_Q1 bmse011512 1 2 1 2.2644 s_4H bmse011512 1 3 1 4.6500 SUP bmse011512 1 4 1 2.6028 DMSO bmse011512 1 5 1 1.0875 d_1H bmse011512 1 6 1 1.2761 dd_6H bmse011512 1 7 1 3.9076 m_2H bmse011512 1 8 1 1.1380 d_1H bmse011512 1 9 1 3.3681 dd_1H bmse011512 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 4.4401 bmse011512 1 2 2 1 0.0000 bmse011512 1 3 3 1 0.0000 bmse011512 1 4 4 1 1.9532 bmse011512 1 5 5 1 6.6024 bmse011512 1 6 6 1 17.7163 bmse011512 1 7 6 1 6.8224 bmse011512 1 8 7 1 4.4896 bmse011512 1 9 8 1 6.9325 bmse011512 1 10 9 1 13.0947 bmse011512 1 11 9 1 3.7413 bmse011512 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011512 1 2 bmse011512 1 3 bmse011512 1 4 bmse011512 1 5 bmse011512 1 6 bmse011512 1 7 bmse011512 1 8 bmse011512 1 9 bmse011512 1 10 bmse011512 1 11 bmse011512 1 12 bmse011512 1 13 bmse011512 1 14 bmse011512 1 15 bmse011512 1 16 bmse011512 1 17 bmse011512 1 18 bmse011512 1 19 bmse011512 1 20 bmse011512 1 21 bmse011512 1 22 bmse011512 1 23 bmse011512 1 24 bmse011512 1 25 bmse011512 1 26 bmse011512 1 27 bmse011512 1 28 bmse011512 1 29 bmse011512 1 30 bmse011512 1 31 bmse011512 1 32 bmse011512 1 33 bmse011512 1 34 bmse011512 1 35 bmse011512 1 36 bmse011512 1 37 bmse011512 1 38 bmse011512 1 39 bmse011512 1 40 bmse011512 1 41 bmse011512 1 42 bmse011512 1 43 bmse011512 1 44 bmse011512 1 45 bmse011512 1 46 bmse011512 1 47 bmse011512 1 48 bmse011512 1 49 bmse011512 1 50 bmse011512 1 51 bmse011512 1 52 bmse011512 1 53 bmse011512 1 54 bmse011512 1 55 bmse011512 1 56 bmse011512 1 57 bmse011512 1 58 bmse011512 1 59 bmse011512 1 60 bmse011512 1 61 bmse011512 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 3.7041 bmse011512 1 2 1 3.6984 bmse011512 1 3 1 3.6843 bmse011512 1 4 1 3.6782 bmse011512 1 5 1 3.6724 bmse011512 1 6 1 3.6645 bmse011512 1 7 1 3.6586 bmse011512 1 8 1 3.6533 bmse011512 1 9 1 3.6522 bmse011512 1 10 1 3.6513 bmse011512 1 11 1 3.6447 bmse011512 1 12 1 3.6342 bmse011512 1 13 1 3.6229 bmse011512 1 14 1 3.6113 bmse011512 1 15 1 3.6102 bmse011512 1 16 1 3.6060 bmse011512 1 17 1 3.5983 bmse011512 1 18 1 3.5845 bmse011512 1 19 1 3.5766 bmse011512 1 20 1 3.5636 bmse011512 1 21 1 3.5561 bmse011512 1 22 1 2.2644 bmse011512 1 23 1 4.6500 bmse011512 1 24 1 2.5963 bmse011512 1 25 1 2.5998 bmse011512 1 26 1 2.6029 bmse011512 1 27 1 2.6058 bmse011512 1 28 1 2.6093 bmse011512 1 29 1 1.0820 bmse011512 1 30 1 1.0930 bmse011512 1 31 1 1.2965 bmse011512 1 32 1 1.2850 bmse011512 1 33 1 1.2668 bmse011512 1 34 1 1.2557 bmse011512 1 35 1 3.9824 bmse011512 1 36 1 3.9758 bmse011512 1 37 1 3.9624 bmse011512 1 38 1 3.9560 bmse011512 1 39 1 3.9424 bmse011512 1 40 1 3.9356 bmse011512 1 41 1 3.9265 bmse011512 1 42 1 3.9151 bmse011512 1 43 1 3.9074 bmse011512 1 44 1 3.8913 bmse011512 1 45 1 3.8893 bmse011512 1 46 1 3.8801 bmse011512 1 47 1 3.8788 bmse011512 1 48 1 3.8695 bmse011512 1 49 1 3.8674 bmse011512 1 50 1 3.8590 bmse011512 1 51 1 3.8553 bmse011512 1 52 1 3.8487 bmse011512 1 53 1 3.8436 bmse011512 1 54 1 3.8377 bmse011512 1 55 1 3.8328 bmse011512 1 56 1 1.1323 bmse011512 1 57 1 1.1438 bmse011512 1 58 1 3.3821 bmse011512 1 59 1 3.3761 bmse011512 1 60 1 3.3605 bmse011512 1 61 1 3.3541 bmse011512 1 stop_ save_