######################### # 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 bmse011641 _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 bmse011641 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 bmse011641 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011641 1 2 bmse011641 1 3 bmse011641 1 4 bmse011641 1 5 bmse011641 1 6 bmse011641 1 7 bmse011641 1 8 bmse011641 1 10 bmse011641 1 11 bmse011641 1 12 bmse011641 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 1.4986 m_2H bmse011641 1 2 1 3.1282 m_1H bmse011641 1 3 1 4.6500 SUP bmse011641 1 4 1 3.7724 m_1H_Q1 bmse011641 1 5 1 2.0271 m_1H bmse011641 1 6 1 1.2804 m_1H bmse011641 1 7 1 1.8483 m_2H bmse011641 1 8 1 2.9624 dd_1H bmse011641 1 9 1 2.6025 DMSO bmse011641 1 10 1 0.7768 m_3H bmse011641 1 11 1 1.1304 m_2H bmse011641 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 6.4312 bmse011641 1 2 2 1 3.3350 bmse011641 1 3 3 1 0.0000 bmse011641 1 4 4 1 4.3328 bmse011641 1 5 5 1 4.7427 bmse011641 1 6 6 1 6.4423 bmse011641 1 7 7 1 6.2722 bmse011641 1 8 8 1 12.7646 bmse011641 1 9 8 1 9.6835 bmse011641 1 10 9 1 1.9257 bmse011641 1 11 10 1 4.8417 bmse011641 1 12 11 1 5.2819 bmse011641 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011641 1 2 bmse011641 1 3 bmse011641 1 4 bmse011641 1 5 bmse011641 1 6 bmse011641 1 7 bmse011641 1 8 bmse011641 1 9 bmse011641 1 10 bmse011641 1 11 bmse011641 1 12 bmse011641 1 13 bmse011641 1 14 bmse011641 1 15 bmse011641 1 16 bmse011641 1 17 bmse011641 1 18 bmse011641 1 19 bmse011641 1 20 bmse011641 1 21 bmse011641 1 22 bmse011641 1 23 bmse011641 1 24 bmse011641 1 25 bmse011641 1 26 bmse011641 1 27 bmse011641 1 28 bmse011641 1 29 bmse011641 1 30 bmse011641 1 31 bmse011641 1 32 bmse011641 1 33 bmse011641 1 34 bmse011641 1 35 bmse011641 1 36 bmse011641 1 37 bmse011641 1 38 bmse011641 1 39 bmse011641 1 40 bmse011641 1 41 bmse011641 1 42 bmse011641 1 43 bmse011641 1 44 bmse011641 1 45 bmse011641 1 46 bmse011641 1 47 bmse011641 1 48 bmse011641 1 49 bmse011641 1 50 bmse011641 1 51 bmse011641 1 52 bmse011641 1 53 bmse011641 1 54 bmse011641 1 55 bmse011641 1 56 bmse011641 1 57 bmse011641 1 58 bmse011641 1 59 bmse011641 1 60 bmse011641 1 61 bmse011641 1 62 bmse011641 1 63 bmse011641 1 64 bmse011641 1 65 bmse011641 1 66 bmse011641 1 67 bmse011641 1 68 bmse011641 1 69 bmse011641 1 70 bmse011641 1 71 bmse011641 1 72 bmse011641 1 73 bmse011641 1 74 bmse011641 1 75 bmse011641 1 76 bmse011641 1 77 bmse011641 1 78 bmse011641 1 79 bmse011641 1 80 bmse011641 1 81 bmse011641 1 82 bmse011641 1 83 bmse011641 1 84 bmse011641 1 85 bmse011641 1 86 bmse011641 1 87 bmse011641 1 88 bmse011641 1 89 bmse011641 1 90 bmse011641 1 91 bmse011641 1 92 bmse011641 1 93 bmse011641 1 94 bmse011641 1 95 bmse011641 1 96 bmse011641 1 97 bmse011641 1 98 bmse011641 1 99 bmse011641 1 100 bmse011641 1 101 bmse011641 1 102 bmse011641 1 103 bmse011641 1 104 bmse011641 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 1.5950 bmse011641 1 2 1 1.5839 bmse011641 1 3 1 1.5730 bmse011641 1 4 1 1.5620 bmse011641 1 5 1 1.5492 bmse011641 1 6 1 1.5461 bmse011641 1 7 1 1.5252 bmse011641 1 8 1 1.5164 bmse011641 1 9 1 1.4957 bmse011641 1 10 1 1.4935 bmse011641 1 11 1 1.4894 bmse011641 1 12 1 1.4782 bmse011641 1 13 1 1.4705 bmse011641 1 14 1 1.4614 bmse011641 1 15 1 1.4517 bmse011641 1 16 1 1.4386 bmse011641 1 17 1 1.4210 bmse011641 1 18 1 1.4137 bmse011641 1 19 1 1.4022 bmse011641 1 20 1 3.1643 bmse011641 1 21 1 3.1581 bmse011641 1 22 1 3.1511 bmse011641 1 23 1 3.1430 bmse011641 1 24 1 3.1370 bmse011641 1 25 1 3.1304 bmse011641 1 26 1 3.1258 bmse011641 1 27 1 3.1251 bmse011641 1 28 1 3.1183 bmse011641 1 29 1 3.1131 bmse011641 1 30 1 3.1095 bmse011641 1 31 1 3.1042 bmse011641 1 32 1 3.0972 bmse011641 1 33 1 3.0921 bmse011641 1 34 1 4.6500 bmse011641 1 35 1 3.8012 bmse011641 1 36 1 3.7895 bmse011641 1 37 1 3.7796 bmse011641 1 38 1 3.7792 bmse011641 1 39 1 3.7758 bmse011641 1 40 1 3.7655 bmse011641 1 41 1 3.7552 bmse011641 1 42 1 3.7486 bmse011641 1 43 1 3.7435 bmse011641 1 44 1 2.0666 bmse011641 1 45 1 2.0631 bmse011641 1 46 1 2.0541 bmse011641 1 47 1 2.0453 bmse011641 1 48 1 2.0406 bmse011641 1 49 1 2.0329 bmse011641 1 50 1 2.0186 bmse011641 1 51 1 2.0127 bmse011641 1 52 1 1.9975 bmse011641 1 53 1 1.9925 bmse011641 1 54 1 1.9876 bmse011641 1 55 1 1.3395 bmse011641 1 56 1 1.3339 bmse011641 1 57 1 1.3180 bmse011641 1 58 1 1.3125 bmse011641 1 59 1 1.2965 bmse011641 1 60 1 1.2914 bmse011641 1 61 1 1.2745 bmse011641 1 62 1 1.2705 bmse011641 1 63 1 1.2582 bmse011641 1 64 1 1.2461 bmse011641 1 65 1 1.2338 bmse011641 1 66 1 1.2214 bmse011641 1 67 1 1.9058 bmse011641 1 68 1 1.8959 bmse011641 1 69 1 1.8849 bmse011641 1 70 1 1.8834 bmse011641 1 71 1 1.8734 bmse011641 1 72 1 1.8662 bmse011641 1 73 1 1.8543 bmse011641 1 74 1 1.8422 bmse011641 1 75 1 1.8336 bmse011641 1 76 1 1.8193 bmse011641 1 77 1 1.8143 bmse011641 1 78 1 1.7909 bmse011641 1 79 1 2.9811 bmse011641 1 80 1 2.9650 bmse011641 1 81 1 2.9599 bmse011641 1 82 1 2.9437 bmse011641 1 83 1 2.5961 bmse011641 1 84 1 2.5996 bmse011641 1 85 1 2.6025 bmse011641 1 86 1 2.6055 bmse011641 1 87 1 2.6089 bmse011641 1 88 1 0.7929 bmse011641 1 89 1 0.7839 bmse011641 1 90 1 0.7806 bmse011641 1 91 1 0.7720 bmse011641 1 92 1 0.7606 bmse011641 1 93 1 1.1788 bmse011641 1 94 1 1.1779 bmse011641 1 95 1 1.1658 bmse011641 1 96 1 1.1612 bmse011641 1 97 1 1.1491 bmse011641 1 98 1 1.1374 bmse011641 1 99 1 1.1251 bmse011641 1 100 1 1.1189 bmse011641 1 101 1 1.1139 bmse011641 1 102 1 1.1064 bmse011641 1 103 1 1.0943 bmse011641 1 104 1 1.0820 bmse011641 1 stop_ save_