######################### # 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 bmse011481 _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 bmse011481 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 bmse011481 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011481 1 2 bmse011481 1 3 bmse011481 1 4 bmse011481 1 6 bmse011481 1 7 bmse011481 1 8 bmse011481 1 9 bmse011481 1 10 bmse011481 1 11 bmse011481 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 2.7168 Imp2 bmse011481 1 2 1 4.6500 SUP bmse011481 1 3 1 3.4376 m_1H bmse011481 1 4 1 3.5399 dd_1H bmse011481 1 5 1 2.6030 DMSO bmse011481 1 6 1 2.0265 m_1H bmse011481 1 7 1 3.0327 s_1H bmse011481 1 8 1 1.2309 m_4H bmse011481 1 9 1 3.2431 m_1H bmse011481 1 10 1 3.6852 m_1H_Q1 bmse011481 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 bmse011481 1 2 2 1 0.0000 bmse011481 1 3 3 1 4.6904 bmse011481 1 4 4 1 12.3794 bmse011481 1 5 4 1 7.9779 bmse011481 1 6 5 1 1.9532 bmse011481 1 7 6 1 5.5098 bmse011481 1 8 7 1 0.0000 bmse011481 1 9 8 1 0.0000 bmse011481 1 10 9 1 5.6120 bmse011481 1 11 10 1 5.4873 bmse011481 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011481 1 2 bmse011481 1 3 bmse011481 1 4 bmse011481 1 5 bmse011481 1 6 bmse011481 1 7 bmse011481 1 8 bmse011481 1 9 bmse011481 1 10 bmse011481 1 11 bmse011481 1 12 bmse011481 1 13 bmse011481 1 14 bmse011481 1 15 bmse011481 1 16 bmse011481 1 17 bmse011481 1 18 bmse011481 1 19 bmse011481 1 20 bmse011481 1 21 bmse011481 1 22 bmse011481 1 23 bmse011481 1 24 bmse011481 1 25 bmse011481 1 26 bmse011481 1 27 bmse011481 1 28 bmse011481 1 29 bmse011481 1 30 bmse011481 1 31 bmse011481 1 32 bmse011481 1 33 bmse011481 1 34 bmse011481 1 35 bmse011481 1 36 bmse011481 1 37 bmse011481 1 38 bmse011481 1 39 bmse011481 1 40 bmse011481 1 41 bmse011481 1 42 bmse011481 1 43 bmse011481 1 44 bmse011481 1 45 bmse011481 1 46 bmse011481 1 47 bmse011481 1 48 bmse011481 1 49 bmse011481 1 50 bmse011481 1 51 bmse011481 1 52 bmse011481 1 53 bmse011481 1 54 bmse011481 1 55 bmse011481 1 56 bmse011481 1 57 bmse011481 1 58 bmse011481 1 59 bmse011481 1 60 bmse011481 1 61 bmse011481 1 62 bmse011481 1 63 bmse011481 1 64 bmse011481 1 65 bmse011481 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 2.7168 bmse011481 1 2 1 4.6500 bmse011481 1 3 1 3.4688 bmse011481 1 4 1 3.4635 bmse011481 1 5 1 3.4492 bmse011481 1 6 1 3.4386 bmse011481 1 7 1 3.4338 bmse011481 1 8 1 3.4302 bmse011481 1 9 1 3.4250 bmse011481 1 10 1 3.4192 bmse011481 1 11 1 3.4063 bmse011481 1 12 1 3.5568 bmse011481 1 13 1 3.5435 bmse011481 1 14 1 3.5361 bmse011481 1 15 1 3.5229 bmse011481 1 16 1 2.5965 bmse011481 1 17 1 2.6000 bmse011481 1 18 1 2.6031 bmse011481 1 19 1 2.6060 bmse011481 1 20 1 2.6095 bmse011481 1 21 1 2.0908 bmse011481 1 22 1 2.0835 bmse011481 1 23 1 2.0745 bmse011481 1 24 1 2.0695 bmse011481 1 25 1 2.0600 bmse011481 1 26 1 2.0463 bmse011481 1 27 1 2.0373 bmse011481 1 28 1 2.0116 bmse011481 1 29 1 2.0030 bmse011481 1 30 1 1.9986 bmse011481 1 31 1 1.9883 bmse011481 1 32 1 1.9786 bmse011481 1 33 1 1.9749 bmse011481 1 34 1 1.9658 bmse011481 1 35 1 1.9623 bmse011481 1 36 1 3.0327 bmse011481 1 37 1 1.2309 bmse011481 1 38 1 3.2945 bmse011481 1 39 1 3.2860 bmse011481 1 40 1 3.2736 bmse011481 1 41 1 3.2657 bmse011481 1 42 1 3.2584 bmse011481 1 43 1 3.2490 bmse011481 1 44 1 3.2360 bmse011481 1 45 1 3.2232 bmse011481 1 46 1 3.2182 bmse011481 1 47 1 3.2103 bmse011481 1 48 1 3.2050 bmse011481 1 49 1 3.1916 bmse011481 1 50 1 3.7538 bmse011481 1 51 1 3.7415 bmse011481 1 52 1 3.7352 bmse011481 1 53 1 3.7224 bmse011481 1 54 1 3.7096 bmse011481 1 55 1 3.6999 bmse011481 1 56 1 3.6951 bmse011481 1 57 1 3.6861 bmse011481 1 58 1 3.6793 bmse011481 1 59 1 3.6714 bmse011481 1 60 1 3.6639 bmse011481 1 61 1 3.6505 bmse011481 1 62 1 3.6421 bmse011481 1 63 1 3.6289 bmse011481 1 64 1 3.6205 bmse011481 1 65 1 3.6166 bmse011481 1 stop_ save_