######################### # 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 bmse011499 _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 bmse011499 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 bmse011499 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011499 1 2 bmse011499 1 3 bmse011499 1 4 bmse011499 1 5 bmse011499 1 6 bmse011499 1 7 bmse011499 1 8 bmse011499 1 9 bmse011499 1 10 bmse011499 1 11 bmse011499 1 12 bmse011499 1 13 bmse011499 1 14 bmse011499 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 3.4610 m_1H bmse011499 1 2 1 7.4557 m_2H bmse011499 1 3 1 3.1154 d_1H bmse011499 1 4 1 2.6030 DMSO bmse011499 1 5 1 2.9816 m_3H bmse011499 1 6 1 3.9144 m_3H_Q1 bmse011499 1 7 1 4.6500 SUP bmse011499 1 8 1 2.4887 Imp1 bmse011499 1 9 1 7.2340 m_2H bmse011499 1 10 1 1.2005 m_2H bmse011499 1 11 1 2.7226 Imp2 bmse011499 1 12 1 3.2926 m_2H bmse011499 1 13 1 3.6594 m_2H bmse011499 1 14 1 1.3418 d_3H bmse011499 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 6.8444 bmse011499 1 2 2 1 3.6863 bmse011499 1 3 3 1 12.6545 bmse011499 1 4 4 1 1.8982 bmse011499 1 5 5 1 55.3498 bmse011499 1 6 6 1 5.5020 bmse011499 1 7 7 1 0.0000 bmse011499 1 8 8 1 0.0000 bmse011499 1 9 9 1 6.3364 bmse011499 1 10 10 1 5.8321 bmse011499 1 11 11 1 0.0000 bmse011499 1 12 12 1 3.5625 bmse011499 1 13 13 1 9.0452 bmse011499 1 14 14 1 6.6024 bmse011499 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011499 1 2 bmse011499 1 3 bmse011499 1 4 bmse011499 1 5 bmse011499 1 6 bmse011499 1 7 bmse011499 1 8 bmse011499 1 9 bmse011499 1 10 bmse011499 1 11 bmse011499 1 12 bmse011499 1 13 bmse011499 1 14 bmse011499 1 15 bmse011499 1 16 bmse011499 1 17 bmse011499 1 18 bmse011499 1 19 bmse011499 1 20 bmse011499 1 21 bmse011499 1 22 bmse011499 1 23 bmse011499 1 24 bmse011499 1 25 bmse011499 1 26 bmse011499 1 27 bmse011499 1 28 bmse011499 1 29 bmse011499 1 30 bmse011499 1 31 bmse011499 1 32 bmse011499 1 33 bmse011499 1 34 bmse011499 1 35 bmse011499 1 36 bmse011499 1 37 bmse011499 1 38 bmse011499 1 39 bmse011499 1 40 bmse011499 1 41 bmse011499 1 42 bmse011499 1 43 bmse011499 1 44 bmse011499 1 45 bmse011499 1 46 bmse011499 1 47 bmse011499 1 48 bmse011499 1 49 bmse011499 1 50 bmse011499 1 51 bmse011499 1 52 bmse011499 1 53 bmse011499 1 54 bmse011499 1 55 bmse011499 1 56 bmse011499 1 57 bmse011499 1 58 bmse011499 1 59 bmse011499 1 60 bmse011499 1 61 bmse011499 1 62 bmse011499 1 63 bmse011499 1 64 bmse011499 1 65 bmse011499 1 66 bmse011499 1 67 bmse011499 1 68 bmse011499 1 69 bmse011499 1 70 bmse011499 1 71 bmse011499 1 72 bmse011499 1 73 bmse011499 1 74 bmse011499 1 75 bmse011499 1 76 bmse011499 1 77 bmse011499 1 78 bmse011499 1 79 bmse011499 1 80 bmse011499 1 81 bmse011499 1 82 bmse011499 1 83 bmse011499 1 84 bmse011499 1 85 bmse011499 1 86 bmse011499 1 87 bmse011499 1 88 bmse011499 1 89 bmse011499 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 3.5180 bmse011499 1 2 1 3.5083 bmse011499 1 3 1 3.4923 bmse011499 1 4 1 3.4866 bmse011499 1 5 1 3.4709 bmse011499 1 6 1 3.4575 bmse011499 1 7 1 3.4540 bmse011499 1 8 1 3.4368 bmse011499 1 9 1 3.4263 bmse011499 1 10 1 3.4149 bmse011499 1 11 1 3.4039 bmse011499 1 12 1 7.5049 bmse011499 1 13 1 7.4950 bmse011499 1 14 1 7.4926 bmse011499 1 15 1 7.4823 bmse011499 1 16 1 7.4796 bmse011499 1 17 1 7.4720 bmse011499 1 18 1 7.4625 bmse011499 1 19 1 7.4599 bmse011499 1 20 1 7.4493 bmse011499 1 21 1 7.4462 bmse011499 1 22 1 7.4396 bmse011499 1 23 1 7.4348 bmse011499 1 24 1 7.4319 bmse011499 1 25 1 7.4218 bmse011499 1 26 1 7.4192 bmse011499 1 27 1 7.4092 bmse011499 1 28 1 7.4066 bmse011499 1 29 1 3.1049 bmse011499 1 30 1 3.1260 bmse011499 1 31 1 2.5967 bmse011499 1 32 1 2.6001 bmse011499 1 33 1 2.6033 bmse011499 1 34 1 2.6064 bmse011499 1 35 1 2.6093 bmse011499 1 36 1 3.0277 bmse011499 1 37 1 2.9355 bmse011499 1 38 1 3.9740 bmse011499 1 39 1 3.9626 bmse011499 1 40 1 3.9525 bmse011499 1 41 1 3.9283 bmse011499 1 42 1 3.9226 bmse011499 1 43 1 3.9063 bmse011499 1 44 1 3.9059 bmse011499 1 45 1 3.9006 bmse011499 1 46 1 3.8944 bmse011499 1 47 1 3.8885 bmse011499 1 48 1 3.8726 bmse011499 1 49 1 3.8673 bmse011499 1 50 1 3.8623 bmse011499 1 51 1 3.8548 bmse011499 1 52 1 4.6500 bmse011499 1 53 1 2.4887 bmse011499 1 54 1 7.2973 bmse011499 1 55 1 7.2848 bmse011499 1 56 1 7.2718 bmse011499 1 57 1 7.2546 bmse011499 1 58 1 7.2397 bmse011499 1 59 1 7.2381 bmse011499 1 60 1 7.2331 bmse011499 1 61 1 7.2205 bmse011499 1 62 1 7.2093 bmse011499 1 63 1 7.2077 bmse011499 1 64 1 7.2018 bmse011499 1 65 1 7.1857 bmse011499 1 66 1 7.1706 bmse011499 1 67 1 1.2199 bmse011499 1 68 1 1.2142 bmse011499 1 69 1 1.2091 bmse011499 1 70 1 1.2032 bmse011499 1 71 1 1.1810 bmse011499 1 72 1 2.7226 bmse011499 1 73 1 3.3163 bmse011499 1 74 1 3.3154 bmse011499 1 75 1 3.3086 bmse011499 1 76 1 3.3053 bmse011499 1 77 1 3.2998 bmse011499 1 78 1 3.2840 bmse011499 1 79 1 3.2791 bmse011499 1 80 1 3.2750 bmse011499 1 81 1 3.2688 bmse011499 1 82 1 3.6971 bmse011499 1 83 1 3.6612 bmse011499 1 84 1 3.6573 bmse011499 1 85 1 3.6397 bmse011499 1 86 1 3.6287 bmse011499 1 87 1 3.6218 bmse011499 1 88 1 1.3363 bmse011499 1 89 1 1.3473 bmse011499 1 stop_ save_