######################### # 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 bmse011597 _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 bmse011597 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 bmse011597 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011597 1 2 bmse011597 1 3 bmse011597 1 4 bmse011597 1 5 bmse011597 1 6 bmse011597 1 7 bmse011597 1 8 bmse011597 1 9 bmse011597 1 10 bmse011597 1 11 bmse011597 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 1.2446 m_3H bmse011597 1 2 1 7.7059 d_1H bmse011597 1 3 1 3.4005 m_1H bmse011597 1 4 1 2.6028 DMSO bmse011597 1 5 1 2.4947 Imp1 bmse011597 1 6 1 7.4047 m_1H bmse011597 1 7 1 0.3971 m_1H bmse011597 1 8 1 7.8009 t_1H bmse011597 1 9 1 0.9891 m_1H_Q1 bmse011597 1 10 1 0.4847 m_1H bmse011597 1 11 1 0.2219 m_2H bmse011597 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 6.7124 bmse011597 1 2 2 1 7.5927 bmse011597 1 3 3 1 6.1182 bmse011597 1 4 4 1 1.9532 bmse011597 1 5 5 1 0.0000 bmse011597 1 6 6 1 7.8128 bmse011597 1 7 7 1 3.6496 bmse011597 1 8 8 1 7.7578 bmse011597 1 9 9 1 3.8636 bmse011597 1 10 10 1 3.6680 bmse011597 1 11 11 1 3.9736 bmse011597 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011597 1 2 bmse011597 1 3 bmse011597 1 4 bmse011597 1 5 bmse011597 1 6 bmse011597 1 7 bmse011597 1 8 bmse011597 1 9 bmse011597 1 10 bmse011597 1 11 bmse011597 1 12 bmse011597 1 13 bmse011597 1 14 bmse011597 1 15 bmse011597 1 16 bmse011597 1 17 bmse011597 1 18 bmse011597 1 19 bmse011597 1 20 bmse011597 1 21 bmse011597 1 22 bmse011597 1 23 bmse011597 1 24 bmse011597 1 25 bmse011597 1 26 bmse011597 1 27 bmse011597 1 28 bmse011597 1 29 bmse011597 1 30 bmse011597 1 31 bmse011597 1 32 bmse011597 1 33 bmse011597 1 34 bmse011597 1 35 bmse011597 1 36 bmse011597 1 37 bmse011597 1 38 bmse011597 1 39 bmse011597 1 40 bmse011597 1 41 bmse011597 1 42 bmse011597 1 43 bmse011597 1 44 bmse011597 1 45 bmse011597 1 46 bmse011597 1 47 bmse011597 1 48 bmse011597 1 49 bmse011597 1 50 bmse011597 1 51 bmse011597 1 52 bmse011597 1 53 bmse011597 1 54 bmse011597 1 55 bmse011597 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 1.2502 bmse011597 1 2 1 1.2390 bmse011597 1 3 1 7.6996 bmse011597 1 4 1 7.7122 bmse011597 1 5 1 3.4259 bmse011597 1 6 1 3.4146 bmse011597 1 7 1 3.4005 bmse011597 1 8 1 3.3893 bmse011597 1 9 1 3.3777 bmse011597 1 10 1 3.3750 bmse011597 1 11 1 2.5963 bmse011597 1 12 1 2.5998 bmse011597 1 13 1 2.6029 bmse011597 1 14 1 2.6058 bmse011597 1 15 1 2.6093 bmse011597 1 16 1 2.4947 bmse011597 1 17 1 7.3982 bmse011597 1 18 1 7.4112 bmse011597 1 19 1 0.4154 bmse011597 1 20 1 0.4090 bmse011597 1 21 1 0.4079 bmse011597 1 22 1 0.4016 bmse011597 1 23 1 0.3943 bmse011597 1 24 1 0.3882 bmse011597 1 25 1 0.3789 bmse011597 1 26 1 7.7879 bmse011597 1 27 1 7.8010 bmse011597 1 28 1 7.8138 bmse011597 1 29 1 1.0180 bmse011597 1 30 1 1.0098 bmse011597 1 31 1 1.0041 bmse011597 1 32 1 0.9960 bmse011597 1 33 1 0.9882 bmse011597 1 34 1 0.9876 bmse011597 1 35 1 0.9823 bmse011597 1 36 1 0.9740 bmse011597 1 37 1 0.9685 bmse011597 1 38 1 0.9601 bmse011597 1 39 1 0.5030 bmse011597 1 40 1 0.5008 bmse011597 1 41 1 0.4937 bmse011597 1 42 1 0.4871 bmse011597 1 43 1 0.4801 bmse011597 1 44 1 0.4722 bmse011597 1 45 1 0.4664 bmse011597 1 46 1 0.2517 bmse011597 1 47 1 0.2434 bmse011597 1 48 1 0.2359 bmse011597 1 49 1 0.2260 bmse011597 1 50 1 0.2214 bmse011597 1 51 1 0.2172 bmse011597 1 52 1 0.2131 bmse011597 1 53 1 0.2076 bmse011597 1 54 1 0.1999 bmse011597 1 55 1 0.1921 bmse011597 1 stop_ save_