######################### # 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 bmse011667 _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 bmse011667 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 bmse011667 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011667 1 2 bmse011667 1 3 bmse011667 1 4 bmse011667 1 5 bmse011667 1 6 bmse011667 1 7 bmse011667 1 8 bmse011667 1 9 bmse011667 1 10 bmse011667 1 11 bmse011667 1 12 bmse011667 1 13 bmse011667 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 3.0669 m_6H bmse011667 1 2 1 6.7233 d_2H bmse011667 1 3 1 7.1025 m_1H bmse011667 1 4 1 3.7095 m_2H bmse011667 1 5 1 2.6026 DMSO bmse011667 1 6 1 7.7022 m_1H bmse011667 1 7 1 8.1722 m_1H bmse011667 1 8 1 3.8248 t_1H bmse011667 1 9 1 7.2765 m_3H bmse011667 1 10 1 7.1529 d_1H bmse011667 1 11 1 2.7953 m_3H bmse011667 1 12 1 7.3835 m_3H_Q1 bmse011667 1 13 1 2.8888 m_2H bmse011667 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 0.0000 bmse011667 1 2 2 1 7.3726 bmse011667 1 3 3 1 7.8128 bmse011667 1 4 4 1 6.1072 bmse011667 1 5 5 1 1.9532 bmse011667 1 6 6 1 3.4112 bmse011667 1 7 7 1 5.0618 bmse011667 1 8 8 1 6.5473 bmse011667 1 9 9 1 4.0915 bmse011667 1 10 10 1 6.9325 bmse011667 1 11 11 1 6.4923 bmse011667 1 12 12 1 3.5370 bmse011667 1 13 13 1 6.1072 bmse011667 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011667 1 2 bmse011667 1 3 bmse011667 1 4 bmse011667 1 5 bmse011667 1 6 bmse011667 1 7 bmse011667 1 8 bmse011667 1 9 bmse011667 1 10 bmse011667 1 11 bmse011667 1 12 bmse011667 1 13 bmse011667 1 14 bmse011667 1 15 bmse011667 1 16 bmse011667 1 17 bmse011667 1 18 bmse011667 1 19 bmse011667 1 20 bmse011667 1 21 bmse011667 1 22 bmse011667 1 23 bmse011667 1 24 bmse011667 1 25 bmse011667 1 26 bmse011667 1 27 bmse011667 1 28 bmse011667 1 29 bmse011667 1 30 bmse011667 1 31 bmse011667 1 32 bmse011667 1 33 bmse011667 1 34 bmse011667 1 35 bmse011667 1 36 bmse011667 1 37 bmse011667 1 38 bmse011667 1 39 bmse011667 1 40 bmse011667 1 41 bmse011667 1 42 bmse011667 1 43 bmse011667 1 44 bmse011667 1 45 bmse011667 1 46 bmse011667 1 47 bmse011667 1 48 bmse011667 1 49 bmse011667 1 50 bmse011667 1 51 bmse011667 1 52 bmse011667 1 53 bmse011667 1 54 bmse011667 1 55 bmse011667 1 56 bmse011667 1 57 bmse011667 1 58 bmse011667 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 3.0669 bmse011667 1 2 1 6.7172 bmse011667 1 3 1 6.7295 bmse011667 1 4 1 7.0960 bmse011667 1 5 1 7.1090 bmse011667 1 6 1 3.7197 bmse011667 1 7 1 3.7096 bmse011667 1 8 1 3.6993 bmse011667 1 9 1 2.5961 bmse011667 1 10 1 2.5996 bmse011667 1 11 1 2.6027 bmse011667 1 12 1 2.6056 bmse011667 1 13 1 2.6091 bmse011667 1 14 1 7.7164 bmse011667 1 15 1 7.7137 bmse011667 1 16 1 7.7036 bmse011667 1 17 1 7.7009 bmse011667 1 18 1 7.6908 bmse011667 1 19 1 7.6880 bmse011667 1 20 1 8.1765 bmse011667 1 21 1 8.1680 bmse011667 1 22 1 3.8139 bmse011667 1 23 1 3.8249 bmse011667 1 24 1 3.8357 bmse011667 1 25 1 7.3140 bmse011667 1 26 1 7.3043 bmse011667 1 27 1 7.3017 bmse011667 1 28 1 7.2907 bmse011667 1 29 1 7.2804 bmse011667 1 30 1 7.2775 bmse011667 1 31 1 7.2693 bmse011667 1 32 1 7.2649 bmse011667 1 33 1 7.2617 bmse011667 1 34 1 7.2518 bmse011667 1 35 1 7.2419 bmse011667 1 36 1 7.2390 bmse011667 1 37 1 7.1471 bmse011667 1 38 1 7.1587 bmse011667 1 39 1 2.8007 bmse011667 1 40 1 2.7899 bmse011667 1 41 1 7.4247 bmse011667 1 42 1 7.4141 bmse011667 1 43 1 7.4115 bmse011667 1 44 1 7.4049 bmse011667 1 45 1 7.4027 bmse011667 1 46 1 7.4000 bmse011667 1 47 1 7.3886 bmse011667 1 48 1 7.3787 bmse011667 1 49 1 7.3761 bmse011667 1 50 1 7.3673 bmse011667 1 51 1 7.3668 bmse011667 1 52 1 7.3648 bmse011667 1 53 1 7.3615 bmse011667 1 54 1 7.3549 bmse011667 1 55 1 7.3422 bmse011667 1 56 1 2.8990 bmse011667 1 57 1 2.8885 bmse011667 1 58 1 2.8786 bmse011667 1 stop_ save_