######################### # 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 bmse011465 _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 bmse011465 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 bmse011465 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011465 1 2 bmse011465 1 3 bmse011465 1 4 bmse011465 1 5 bmse011465 1 6 bmse011465 1 7 bmse011465 1 8 bmse011465 1 9 bmse011465 1 10 bmse011465 1 13 bmse011465 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 2.6030 DMSO bmse011465 1 2 1 3.6760 5,14_m_Q3 bmse011465 1 3 1 4.6500 SUP bmse011465 1 4 1 2.2388 15_s_Q2 bmse011465 1 5 1 7.1371 10,11,12,13 bmse011465 1 6 1 3.2095 5,8_m bmse011465 1 7 1 1.7695 16,17_m bmse011465 1 8 1 3.9318 14_m bmse011465 1 9 1 1.8803 17_m_Q1 bmse011465 1 10 1 1.4330 16_ddd bmse011465 1 11 1 3.4822 7_m bmse011465 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 1.9532 bmse011465 1 2 2 1 67.6190 bmse011465 1 3 3 1 0.0000 bmse011465 1 4 4 1 0.0000 bmse011465 1 5 5 1 71.0902 bmse011465 1 6 6 1 68.5253 bmse011465 1 7 7 1 63.0994 bmse011465 1 8 8 1 6.2172 bmse011465 1 9 9 1 6.6464 bmse011465 1 10 10 1 15.1579 bmse011465 1 11 10 1 12.6820 bmse011465 1 12 10 1 7.5652 bmse011465 1 13 11 1 0.0000 bmse011465 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011465 1 2 bmse011465 1 3 bmse011465 1 4 bmse011465 1 5 bmse011465 1 6 bmse011465 1 7 bmse011465 1 8 bmse011465 1 9 bmse011465 1 10 bmse011465 1 11 bmse011465 1 12 bmse011465 1 13 bmse011465 1 14 bmse011465 1 15 bmse011465 1 16 bmse011465 1 17 bmse011465 1 18 bmse011465 1 19 bmse011465 1 20 bmse011465 1 21 bmse011465 1 22 bmse011465 1 23 bmse011465 1 24 bmse011465 1 25 bmse011465 1 26 bmse011465 1 27 bmse011465 1 28 bmse011465 1 29 bmse011465 1 30 bmse011465 1 31 bmse011465 1 32 bmse011465 1 33 bmse011465 1 34 bmse011465 1 35 bmse011465 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 2.5965 bmse011465 1 2 1 2.6000 bmse011465 1 3 1 2.6029 bmse011465 1 4 1 2.6058 bmse011465 1 5 1 2.6095 bmse011465 1 6 1 3.7324 bmse011465 1 7 1 3.6197 bmse011465 1 8 1 4.6500 bmse011465 1 9 1 2.2388 bmse011465 1 10 1 7.1964 bmse011465 1 11 1 7.0779 bmse011465 1 12 1 3.2666 bmse011465 1 13 1 3.1524 bmse011465 1 14 1 1.8221 bmse011465 1 15 1 1.7169 bmse011465 1 16 1 3.9525 bmse011465 1 17 1 3.9411 bmse011465 1 18 1 3.9323 bmse011465 1 19 1 3.9224 bmse011465 1 20 1 3.9111 bmse011465 1 21 1 1.9080 bmse011465 1 22 1 1.8965 bmse011465 1 23 1 1.8855 bmse011465 1 24 1 1.8741 bmse011465 1 25 1 1.8642 bmse011465 1 26 1 1.8526 bmse011465 1 27 1 1.4625 bmse011465 1 28 1 1.4500 bmse011465 1 29 1 1.4412 bmse011465 1 30 1 1.4287 bmse011465 1 31 1 1.4372 bmse011465 1 32 1 1.4245 bmse011465 1 33 1 1.4163 bmse011465 1 34 1 1.4034 bmse011465 1 35 1 3.4822 bmse011465 1 stop_ save_