######################### # 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 bmse011648 _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 bmse011648 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 bmse011648 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011648 1 2 bmse011648 1 3 bmse011648 1 4 bmse011648 1 5 bmse011648 1 6 bmse011648 1 9 bmse011648 1 10 bmse011648 1 11 bmse011648 1 12 bmse011648 1 13 bmse011648 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 2.0912 6,7,10_m bmse011648 1 2 1 3.3929 13_m bmse011648 1 3 1 4.6500 SUP bmse011648 1 4 1 3.3091 14_s bmse011648 1 5 1 2.6335 DMSO_3_m bmse011648 1 6 1 1.5566 6_ddd_Q2 bmse011648 1 7 1 3.1241 3_m_Q3 bmse011648 1 8 1 3.6463 12,13_m bmse011648 1 9 1 3.9752 9_m bmse011648 1 10 1 3.2204 4,12_m bmse011648 1 11 1 1.4341 7_ddd_Q1 bmse011648 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 1 128.7964 bmse011648 1 2 2 1 3.9394 bmse011648 1 3 3 1 0.0000 bmse011648 1 4 4 1 0.0000 bmse011648 1 5 5 1 129.6335 bmse011648 1 6 6 1 24.7864 bmse011648 1 7 6 1 12.5720 bmse011648 1 8 6 1 4.5391 bmse011648 1 9 7 1 7.4277 bmse011648 1 10 8 1 58.4011 bmse011648 1 11 9 1 3.6753 bmse011648 1 12 10 1 33.9120 bmse011648 1 13 11 1 24.8414 bmse011648 1 14 11 1 12.5170 bmse011648 1 15 11 1 4.4291 bmse011648 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011648 1 2 bmse011648 1 3 bmse011648 1 4 bmse011648 1 5 bmse011648 1 6 bmse011648 1 7 bmse011648 1 8 bmse011648 1 9 bmse011648 1 10 bmse011648 1 11 bmse011648 1 12 bmse011648 1 13 bmse011648 1 14 bmse011648 1 15 bmse011648 1 16 bmse011648 1 17 bmse011648 1 18 bmse011648 1 19 bmse011648 1 20 bmse011648 1 21 bmse011648 1 22 bmse011648 1 23 bmse011648 1 24 bmse011648 1 25 bmse011648 1 26 bmse011648 1 27 bmse011648 1 28 bmse011648 1 29 bmse011648 1 30 bmse011648 1 31 bmse011648 1 32 bmse011648 1 33 bmse011648 1 34 bmse011648 1 35 bmse011648 1 36 bmse011648 1 37 bmse011648 1 38 bmse011648 1 39 bmse011648 1 40 bmse011648 1 41 bmse011648 1 42 bmse011648 1 43 bmse011648 1 44 bmse011648 1 45 bmse011648 1 46 bmse011648 1 47 bmse011648 1 48 bmse011648 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 2.1985 bmse011648 1 2 1 1.9839 bmse011648 1 3 1 3.4258 bmse011648 1 4 1 3.4144 bmse011648 1 5 1 3.4137 bmse011648 1 6 1 3.4067 bmse011648 1 7 1 3.3997 bmse011648 1 8 1 3.3939 bmse011648 1 9 1 3.3869 bmse011648 1 10 1 3.3799 bmse011648 1 11 1 3.3742 bmse011648 1 12 1 3.3673 bmse011648 1 13 1 3.3601 bmse011648 1 14 1 4.6500 bmse011648 1 15 1 3.3091 bmse011648 1 16 1 2.7415 bmse011648 1 17 1 2.5255 bmse011648 1 18 1 1.5916 bmse011648 1 19 1 1.5839 bmse011648 1 20 1 1.5707 bmse011648 1 21 1 1.5630 bmse011648 1 22 1 1.5501 bmse011648 1 23 1 1.5428 bmse011648 1 24 1 1.5292 bmse011648 1 25 1 1.5217 bmse011648 1 26 1 3.1489 bmse011648 1 27 1 3.1445 bmse011648 1 28 1 3.1240 bmse011648 1 29 1 3.1038 bmse011648 1 30 1 3.0994 bmse011648 1 31 1 3.6949 bmse011648 1 32 1 3.5976 bmse011648 1 33 1 3.9905 bmse011648 1 34 1 3.9872 bmse011648 1 35 1 3.9837 bmse011648 1 36 1 3.9664 bmse011648 1 37 1 3.9628 bmse011648 1 38 1 3.9598 bmse011648 1 39 1 3.2487 bmse011648 1 40 1 3.1922 bmse011648 1 41 1 1.4689 bmse011648 1 42 1 1.4616 bmse011648 1 43 1 1.4480 bmse011648 1 44 1 1.4407 bmse011648 1 45 1 1.4275 bmse011648 1 46 1 1.4201 bmse011648 1 47 1 1.4067 bmse011648 1 48 1 1.3992 bmse011648 1 stop_ save_