######################### # 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 bmse011132 _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 bmse011132 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 bmse011132 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011132 1 2 bmse011132 1 3 bmse011132 1 4 bmse011132 1 5 bmse011132 1 7 bmse011132 1 8 bmse011132 1 11 bmse011132 1 12 bmse011132 1 13 bmse011132 1 14 bmse011132 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 2.1434 8_m bmse011132 1 2 1 4.6500 SUP bmse011132 1 3 1 7.8214 12,13_d bmse011132 1 4 1 3.1535 3_m_Q2 bmse011132 1 5 1 7.6202 14,15_dd bmse011132 1 6 1 2.6027 DMSO bmse011132 1 7 1 3.4745 3_ddd_Q3 bmse011132 1 8 1 1.9201 8_m_Q1 bmse011132 1 9 1 7.7143 16_t bmse011132 1 10 1 3.3599 7_m bmse011132 1 11 1 3.8034 9_m bmse011132 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 3.6313 bmse011132 1 2 2 1 0.0000 bmse011132 1 3 3 1 7.3726 bmse011132 1 4 4 1 5.1058 bmse011132 1 5 5 1 7.8128 bmse011132 1 6 5 1 7.8128 bmse011132 1 7 6 1 1.8707 bmse011132 1 8 7 1 10.1786 bmse011132 1 9 7 1 8.3080 bmse011132 1 10 7 1 6.1622 bmse011132 1 11 8 1 3.2572 bmse011132 1 12 9 1 7.4277 bmse011132 1 13 10 1 60.0568 bmse011132 1 14 11 1 3.5396 bmse011132 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011132 1 2 bmse011132 1 3 bmse011132 1 4 bmse011132 1 5 bmse011132 1 6 bmse011132 1 7 bmse011132 1 8 bmse011132 1 9 bmse011132 1 10 bmse011132 1 11 bmse011132 1 12 bmse011132 1 13 bmse011132 1 14 bmse011132 1 15 bmse011132 1 16 bmse011132 1 17 bmse011132 1 18 bmse011132 1 19 bmse011132 1 20 bmse011132 1 21 bmse011132 1 22 bmse011132 1 23 bmse011132 1 24 bmse011132 1 25 bmse011132 1 26 bmse011132 1 27 bmse011132 1 28 bmse011132 1 29 bmse011132 1 30 bmse011132 1 31 bmse011132 1 32 bmse011132 1 33 bmse011132 1 34 bmse011132 1 35 bmse011132 1 36 bmse011132 1 37 bmse011132 1 38 bmse011132 1 39 bmse011132 1 40 bmse011132 1 41 bmse011132 1 42 bmse011132 1 43 bmse011132 1 44 bmse011132 1 45 bmse011132 1 46 bmse011132 1 47 bmse011132 1 48 bmse011132 1 49 bmse011132 1 50 bmse011132 1 51 bmse011132 1 52 bmse011132 1 53 bmse011132 1 54 bmse011132 1 55 bmse011132 1 56 bmse011132 1 57 bmse011132 1 58 bmse011132 1 59 bmse011132 1 60 bmse011132 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 2.1737 bmse011132 1 2 1 2.1623 bmse011132 1 3 1 2.1585 bmse011132 1 4 1 2.1506 bmse011132 1 5 1 2.1475 bmse011132 1 6 1 2.1467 bmse011132 1 7 1 2.1394 bmse011132 1 8 1 2.1359 bmse011132 1 9 1 2.1282 bmse011132 1 10 1 2.1242 bmse011132 1 11 1 2.1132 bmse011132 1 12 1 4.6500 bmse011132 1 13 1 7.8153 bmse011132 1 14 1 7.8275 bmse011132 1 15 1 3.1748 bmse011132 1 16 1 3.1645 bmse011132 1 17 1 3.1590 bmse011132 1 18 1 3.1485 bmse011132 1 19 1 3.1425 bmse011132 1 20 1 3.1322 bmse011132 1 21 1 7.6332 bmse011132 1 22 1 7.6200 bmse011132 1 23 1 7.6200 bmse011132 1 24 1 7.6072 bmse011132 1 25 1 2.5965 bmse011132 1 26 1 2.5998 bmse011132 1 27 1 2.6029 bmse011132 1 28 1 2.6060 bmse011132 1 29 1 2.6089 bmse011132 1 30 1 3.4951 bmse011132 1 31 1 3.4848 bmse011132 1 32 1 3.4811 bmse011132 1 33 1 3.4709 bmse011132 1 34 1 3.4780 bmse011132 1 35 1 3.4677 bmse011132 1 36 1 3.4643 bmse011132 1 37 1 3.4540 bmse011132 1 38 1 1.9472 bmse011132 1 39 1 1.9379 bmse011132 1 40 1 1.9368 bmse011132 1 41 1 1.9333 bmse011132 1 42 1 1.9300 bmse011132 1 43 1 1.9241 bmse011132 1 44 1 1.9161 bmse011132 1 45 1 1.9106 bmse011132 1 46 1 1.9069 bmse011132 1 47 1 1.9023 bmse011132 1 48 1 1.8930 bmse011132 1 49 1 7.7020 bmse011132 1 50 1 7.7144 bmse011132 1 51 1 7.7267 bmse011132 1 52 1 3.4100 bmse011132 1 53 1 3.3099 bmse011132 1 54 1 3.8211 bmse011132 1 55 1 3.8145 bmse011132 1 56 1 3.8090 bmse011132 1 57 1 3.8035 bmse011132 1 58 1 3.7979 bmse011132 1 59 1 3.7924 bmse011132 1 60 1 3.7857 bmse011132 1 stop_ save_