######################### # 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 bmse011541 _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 bmse011541 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 bmse011541 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011541 1 2 bmse011541 1 3 bmse011541 1 4 bmse011541 1 5 bmse011541 1 6 bmse011541 1 9 bmse011541 1 10 bmse011541 1 11 bmse011541 1 12 bmse011541 1 13 bmse011541 1 14 bmse011541 1 15 bmse011541 1 16 bmse011541 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 2.7166 Imp2 bmse011541 1 2 1 3.4228 m_2H bmse011541 1 3 1 4.1168 m_1H bmse011541 1 4 1 6.7962 d_4H bmse011541 1 5 1 7.7524 s_1H bmse011541 1 6 1 1.6024 ddd_2H bmse011541 1 7 1 2.6029 DMSO bmse011541 1 8 1 1.8639 m_4H bmse011541 1 9 1 3.7394 m_4H bmse011541 1 10 1 3.3408 m_2H bmse011541 1 11 1 7.8994 m_2H bmse011541 1 12 1 4.6500 SUP bmse011541 1 13 1 2.4852 Imp1 bmse011541 1 14 1 2.0147 m_2H_Q1 bmse011541 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 bmse011541 1 2 2 1 3.9247 bmse011541 1 3 3 1 3.5841 bmse011541 1 4 4 1 5.2819 bmse011541 1 5 5 1 0.0000 bmse011541 1 6 6 1 15.3505 bmse011541 1 7 6 1 12.7646 bmse011541 1 8 6 1 7.2626 bmse011541 1 9 7 1 1.9807 bmse011541 1 10 8 1 3.9549 bmse011541 1 11 9 1 7.9916 bmse011541 1 12 10 1 7.0150 bmse011541 1 13 11 1 15.0754 bmse011541 1 14 12 1 0.0000 bmse011541 1 15 13 1 0.0000 bmse011541 1 16 14 1 3.3452 bmse011541 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011541 1 2 bmse011541 1 3 bmse011541 1 4 bmse011541 1 5 bmse011541 1 6 bmse011541 1 7 bmse011541 1 8 bmse011541 1 9 bmse011541 1 10 bmse011541 1 11 bmse011541 1 12 bmse011541 1 13 bmse011541 1 14 bmse011541 1 15 bmse011541 1 16 bmse011541 1 17 bmse011541 1 18 bmse011541 1 19 bmse011541 1 20 bmse011541 1 21 bmse011541 1 22 bmse011541 1 23 bmse011541 1 24 bmse011541 1 25 bmse011541 1 26 bmse011541 1 27 bmse011541 1 28 bmse011541 1 29 bmse011541 1 30 bmse011541 1 31 bmse011541 1 32 bmse011541 1 33 bmse011541 1 34 bmse011541 1 35 bmse011541 1 36 bmse011541 1 37 bmse011541 1 38 bmse011541 1 39 bmse011541 1 40 bmse011541 1 41 bmse011541 1 42 bmse011541 1 43 bmse011541 1 44 bmse011541 1 45 bmse011541 1 46 bmse011541 1 47 bmse011541 1 48 bmse011541 1 49 bmse011541 1 50 bmse011541 1 51 bmse011541 1 52 bmse011541 1 53 bmse011541 1 54 bmse011541 1 55 bmse011541 1 56 bmse011541 1 57 bmse011541 1 58 bmse011541 1 59 bmse011541 1 60 bmse011541 1 61 bmse011541 1 62 bmse011541 1 63 bmse011541 1 64 bmse011541 1 65 bmse011541 1 66 bmse011541 1 67 bmse011541 1 68 bmse011541 1 69 bmse011541 1 70 bmse011541 1 71 bmse011541 1 72 bmse011541 1 73 bmse011541 1 74 bmse011541 1 75 bmse011541 1 76 bmse011541 1 77 bmse011541 1 78 bmse011541 1 79 bmse011541 1 80 bmse011541 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 2.7166 bmse011541 1 2 1 3.4424 bmse011541 1 3 1 3.4351 bmse011541 1 4 1 3.4338 bmse011541 1 5 1 3.4270 bmse011541 1 6 1 3.4188 bmse011541 1 7 1 3.4116 bmse011541 1 8 1 3.4032 bmse011541 1 9 1 4.1377 bmse011541 1 10 1 4.1315 bmse011541 1 11 1 4.1258 bmse011541 1 12 1 4.1195 bmse011541 1 13 1 4.1139 bmse011541 1 14 1 4.1076 bmse011541 1 15 1 4.1021 bmse011541 1 16 1 4.0959 bmse011541 1 17 1 6.7918 bmse011541 1 18 1 6.8006 bmse011541 1 19 1 7.7524 bmse011541 1 20 1 1.6319 bmse011541 1 21 1 1.6198 bmse011541 1 22 1 1.6103 bmse011541 1 23 1 1.5985 bmse011541 1 24 1 1.6062 bmse011541 1 25 1 1.5939 bmse011541 1 26 1 1.5851 bmse011541 1 27 1 1.5729 bmse011541 1 28 1 2.5963 bmse011541 1 29 1 2.6000 bmse011541 1 30 1 2.6029 bmse011541 1 31 1 2.6060 bmse011541 1 32 1 2.6095 bmse011541 1 33 1 1.9199 bmse011541 1 34 1 1.9093 bmse011541 1 35 1 1.9062 bmse011541 1 36 1 1.8994 bmse011541 1 37 1 1.8897 bmse011541 1 38 1 1.8862 bmse011541 1 39 1 1.8856 bmse011541 1 40 1 1.8776 bmse011541 1 41 1 1.8754 bmse011541 1 42 1 1.8657 bmse011541 1 43 1 1.8541 bmse011541 1 44 1 1.8451 bmse011541 1 45 1 1.8413 bmse011541 1 46 1 1.8327 bmse011541 1 47 1 1.8288 bmse011541 1 48 1 1.8283 bmse011541 1 49 1 1.8204 bmse011541 1 50 1 1.8079 bmse011541 1 51 1 3.7926 bmse011541 1 52 1 3.7807 bmse011541 1 53 1 3.7675 bmse011541 1 54 1 3.7558 bmse011541 1 55 1 3.7224 bmse011541 1 56 1 3.7098 bmse011541 1 57 1 3.6995 bmse011541 1 58 1 3.6960 bmse011541 1 59 1 3.6861 bmse011541 1 60 1 3.3642 bmse011541 1 61 1 3.3528 bmse011541 1 62 1 3.3410 bmse011541 1 63 1 3.3291 bmse011541 1 64 1 3.3174 bmse011541 1 65 1 7.9245 bmse011541 1 66 1 7.8778 bmse011541 1 67 1 7.8743 bmse011541 1 68 1 4.6500 bmse011541 1 69 1 2.4852 bmse011541 1 70 1 2.0426 bmse011541 1 71 1 2.0334 bmse011541 1 72 1 2.0331 bmse011541 1 73 1 2.0298 bmse011541 1 74 1 2.0211 bmse011541 1 75 1 2.0175 bmse011541 1 76 1 2.0167 bmse011541 1 77 1 2.0123 bmse011541 1 78 1 2.0081 bmse011541 1 79 1 1.9988 bmse011541 1 80 1 1.9868 bmse011541 1 stop_ save_