######################### # 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 bmse011246 _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 bmse011246 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 bmse011246 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011246 1 2 bmse011246 1 3 bmse011246 1 4 bmse011246 1 5 bmse011246 1 6 bmse011246 1 7 bmse011246 1 8 bmse011246 1 9 bmse011246 1 10 bmse011246 1 11 bmse011246 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 4.0810 1_s bmse011246 1 2 1 1.5840 15_m bmse011246 1 3 1 1.7515 11,12_m bmse011246 1 4 1 2.0359 11,12_d bmse011246 1 5 1 1.2543 13,14_m bmse011246 1 6 1 7.2660 7,8_m_Q3 bmse011246 1 7 1 1.0933 15_m bmse011246 1 8 1 3.0437 9_m_Q1 bmse011246 1 9 1 6.8553 5,6_m_Q2 bmse011246 1 10 1 4.6500 SUP bmse011246 1 11 1 2.6030 DMSO bmse011246 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 bmse011246 1 2 2 1 4.1815 bmse011246 1 3 3 1 8.3080 bmse011246 1 4 4 1 14.4152 bmse011246 1 5 5 1 117.1950 bmse011246 1 6 6 1 2.8610 bmse011246 1 7 7 1 3.4959 bmse011246 1 8 8 1 3.3745 bmse011246 1 9 9 1 3.8881 bmse011246 1 10 10 1 0.0000 bmse011246 1 11 11 1 1.8432 bmse011246 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011246 1 2 bmse011246 1 3 bmse011246 1 4 bmse011246 1 5 bmse011246 1 6 bmse011246 1 7 bmse011246 1 8 bmse011246 1 9 bmse011246 1 10 bmse011246 1 11 bmse011246 1 12 bmse011246 1 13 bmse011246 1 14 bmse011246 1 15 bmse011246 1 16 bmse011246 1 17 bmse011246 1 18 bmse011246 1 19 bmse011246 1 20 bmse011246 1 21 bmse011246 1 22 bmse011246 1 23 bmse011246 1 24 bmse011246 1 25 bmse011246 1 26 bmse011246 1 27 bmse011246 1 28 bmse011246 1 29 bmse011246 1 30 bmse011246 1 31 bmse011246 1 32 bmse011246 1 33 bmse011246 1 34 bmse011246 1 35 bmse011246 1 36 bmse011246 1 37 bmse011246 1 38 bmse011246 1 39 bmse011246 1 40 bmse011246 1 41 bmse011246 1 42 bmse011246 1 43 bmse011246 1 44 bmse011246 1 45 bmse011246 1 46 bmse011246 1 47 bmse011246 1 48 bmse011246 1 49 bmse011246 1 50 bmse011246 1 51 bmse011246 1 52 bmse011246 1 53 bmse011246 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 4.0810 bmse011246 1 2 1 1.5980 bmse011246 1 3 1 1.5925 bmse011246 1 4 1 1.5815 bmse011246 1 5 1 1.5756 bmse011246 1 6 1 1.5701 bmse011246 1 7 1 1.7654 bmse011246 1 8 1 1.7426 bmse011246 1 9 1 1.7377 bmse011246 1 10 1 2.0239 bmse011246 1 11 1 2.0479 bmse011246 1 12 1 1.3519 bmse011246 1 13 1 1.1566 bmse011246 1 14 1 7.2540 bmse011246 1 15 1 7.2588 bmse011246 1 16 1 7.2623 bmse011246 1 17 1 7.2694 bmse011246 1 18 1 7.2731 bmse011246 1 19 1 7.2779 bmse011246 1 20 1 1.1312 bmse011246 1 21 1 1.1249 bmse011246 1 22 1 1.1193 bmse011246 1 23 1 1.1189 bmse011246 1 24 1 1.1092 bmse011246 1 25 1 1.1044 bmse011246 1 26 1 1.0978 bmse011246 1 27 1 1.0928 bmse011246 1 28 1 1.0877 bmse011246 1 29 1 1.0811 bmse011246 1 30 1 1.0773 bmse011246 1 31 1 1.0675 bmse011246 1 32 1 1.0615 bmse011246 1 33 1 1.0554 bmse011246 1 34 1 3.0690 bmse011246 1 35 1 3.0629 bmse011246 1 36 1 3.0565 bmse011246 1 37 1 3.0506 bmse011246 1 38 1 3.0503 bmse011246 1 39 1 3.0438 bmse011246 1 40 1 3.0376 bmse011246 1 41 1 3.0316 bmse011246 1 42 1 3.0250 bmse011246 1 43 1 3.0184 bmse011246 1 44 1 6.8650 bmse011246 1 45 1 6.8619 bmse011246 1 46 1 6.8507 bmse011246 1 47 1 6.8455 bmse011246 1 48 1 4.6500 bmse011246 1 49 1 2.5968 bmse011246 1 50 1 2.5998 bmse011246 1 51 1 2.6029 bmse011246 1 52 1 2.6060 bmse011246 1 53 1 2.6091 bmse011246 1 stop_ save_