######################### # 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 bmse011563 _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 bmse011563 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 bmse011563 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011563 1 2 bmse011563 1 3 bmse011563 1 4 bmse011563 1 5 bmse011563 1 6 bmse011563 1 7 bmse011563 1 8 bmse011563 1 9 bmse011563 1 10 bmse011563 1 11 bmse011563 1 12 bmse011563 1 13 bmse011563 1 14 bmse011563 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 bmse011563 1 2 1 3.3495 m_3H_Q1 bmse011563 1 3 1 3.6509 m_1H bmse011563 1 4 1 0.8762 m_3H bmse011563 1 5 1 1.3129 m_2H bmse011563 1 6 1 8.9781 d_1H bmse011563 1 7 1 7.8126 t_1H bmse011563 1 8 1 1.8453 m_2H bmse011563 1 9 1 1.1419 m_2H bmse011563 1 10 1 3.7561 m_1H bmse011563 1 11 1 2.6030 DMSO bmse011563 1 12 1 0.8288 d_3H bmse011563 1 13 1 1.6151 m_9H bmse011563 1 14 1 3.5055 m_3H bmse011563 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 bmse011563 1 2 2 1 3.2085 bmse011563 1 3 3 1 4.7097 bmse011563 1 4 4 1 6.7124 bmse011563 1 5 5 1 4.9576 bmse011563 1 6 6 1 0.9904 bmse011563 1 7 7 1 2.3658 bmse011563 1 8 8 1 3.5213 bmse011563 1 9 9 1 4.1196 bmse011563 1 10 10 1 3.3955 bmse011563 1 11 11 1 1.8432 bmse011563 1 12 12 1 6.8224 bmse011563 1 13 13 1 3.7217 bmse011563 1 14 14 1 3.7193 bmse011563 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011563 1 2 bmse011563 1 3 bmse011563 1 4 bmse011563 1 5 bmse011563 1 6 bmse011563 1 7 bmse011563 1 8 bmse011563 1 9 bmse011563 1 10 bmse011563 1 11 bmse011563 1 12 bmse011563 1 13 bmse011563 1 14 bmse011563 1 15 bmse011563 1 16 bmse011563 1 17 bmse011563 1 18 bmse011563 1 19 bmse011563 1 20 bmse011563 1 21 bmse011563 1 22 bmse011563 1 23 bmse011563 1 24 bmse011563 1 25 bmse011563 1 26 bmse011563 1 27 bmse011563 1 28 bmse011563 1 29 bmse011563 1 30 bmse011563 1 31 bmse011563 1 32 bmse011563 1 33 bmse011563 1 34 bmse011563 1 35 bmse011563 1 36 bmse011563 1 37 bmse011563 1 38 bmse011563 1 39 bmse011563 1 40 bmse011563 1 41 bmse011563 1 42 bmse011563 1 43 bmse011563 1 44 bmse011563 1 45 bmse011563 1 46 bmse011563 1 47 bmse011563 1 48 bmse011563 1 49 bmse011563 1 50 bmse011563 1 51 bmse011563 1 52 bmse011563 1 53 bmse011563 1 54 bmse011563 1 55 bmse011563 1 56 bmse011563 1 57 bmse011563 1 58 bmse011563 1 59 bmse011563 1 60 bmse011563 1 61 bmse011563 1 62 bmse011563 1 63 bmse011563 1 64 bmse011563 1 65 bmse011563 1 66 bmse011563 1 67 bmse011563 1 68 bmse011563 1 69 bmse011563 1 70 bmse011563 1 71 bmse011563 1 72 bmse011563 1 73 bmse011563 1 74 bmse011563 1 75 bmse011563 1 76 bmse011563 1 77 bmse011563 1 78 bmse011563 1 79 bmse011563 1 80 bmse011563 1 81 bmse011563 1 82 bmse011563 1 83 bmse011563 1 84 bmse011563 1 85 bmse011563 1 86 bmse011563 1 87 bmse011563 1 88 bmse011563 1 89 bmse011563 1 90 bmse011563 1 91 bmse011563 1 92 bmse011563 1 93 bmse011563 1 94 bmse011563 1 95 bmse011563 1 96 bmse011563 1 97 bmse011563 1 98 bmse011563 1 99 bmse011563 1 100 bmse011563 1 101 bmse011563 1 102 bmse011563 1 103 bmse011563 1 104 bmse011563 1 105 bmse011563 1 106 bmse011563 1 107 bmse011563 1 108 bmse011563 1 109 bmse011563 1 110 bmse011563 1 111 bmse011563 1 112 bmse011563 1 113 bmse011563 1 114 bmse011563 1 115 bmse011563 1 116 bmse011563 1 117 bmse011563 1 118 bmse011563 1 119 bmse011563 1 120 bmse011563 1 121 bmse011563 1 122 bmse011563 1 123 bmse011563 1 124 bmse011563 1 125 bmse011563 1 126 bmse011563 1 127 bmse011563 1 128 bmse011563 1 129 bmse011563 1 130 bmse011563 1 131 bmse011563 1 132 bmse011563 1 133 bmse011563 1 134 bmse011563 1 135 bmse011563 1 136 bmse011563 1 137 bmse011563 1 138 bmse011563 1 139 bmse011563 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 bmse011563 1 2 1 3.4003 bmse011563 1 3 1 3.3948 bmse011563 1 4 1 3.3832 bmse011563 1 5 1 3.3774 bmse011563 1 6 1 3.3713 bmse011563 1 7 1 3.3596 bmse011563 1 8 1 3.3544 bmse011563 1 9 1 3.3504 bmse011563 1 10 1 3.3460 bmse011563 1 11 1 3.3421 bmse011563 1 12 1 3.3394 bmse011563 1 13 1 3.3341 bmse011563 1 14 1 3.3293 bmse011563 1 15 1 3.3271 bmse011563 1 16 1 3.3223 bmse011563 1 17 1 3.3190 bmse011563 1 18 1 3.3154 bmse011563 1 19 1 3.3106 bmse011563 1 20 1 3.3057 bmse011563 1 21 1 3.2987 bmse011563 1 22 1 3.6705 bmse011563 1 23 1 3.6625 bmse011563 1 24 1 3.6537 bmse011563 1 25 1 3.6478 bmse011563 1 26 1 3.6395 bmse011563 1 27 1 3.6313 bmse011563 1 28 1 0.8818 bmse011563 1 29 1 0.8706 bmse011563 1 30 1 1.3913 bmse011563 1 31 1 1.3849 bmse011563 1 32 1 1.3741 bmse011563 1 33 1 1.3675 bmse011563 1 34 1 1.3605 bmse011563 1 35 1 1.3572 bmse011563 1 36 1 1.3501 bmse011563 1 37 1 1.3437 bmse011563 1 38 1 1.3328 bmse011563 1 39 1 1.3264 bmse011563 1 40 1 1.2998 bmse011563 1 41 1 1.2920 bmse011563 1 42 1 1.2826 bmse011563 1 43 1 1.2753 bmse011563 1 44 1 1.2679 bmse011563 1 45 1 1.2657 bmse011563 1 46 1 1.2586 bmse011563 1 47 1 1.2513 bmse011563 1 48 1 1.2419 bmse011563 1 49 1 1.2344 bmse011563 1 50 1 8.9773 bmse011563 1 51 1 8.9790 bmse011563 1 52 1 7.8087 bmse011563 1 53 1 7.8127 bmse011563 1 54 1 7.8165 bmse011563 1 55 1 1.8805 bmse011563 1 56 1 1.8741 bmse011563 1 57 1 1.8653 bmse011563 1 58 1 1.8587 bmse011563 1 59 1 1.8528 bmse011563 1 60 1 1.8501 bmse011563 1 61 1 1.8433 bmse011563 1 62 1 1.8339 bmse011563 1 63 1 1.8253 bmse011563 1 64 1 1.8217 bmse011563 1 65 1 1.8195 bmse011563 1 66 1 1.8125 bmse011563 1 67 1 1.8101 bmse011563 1 68 1 1.1968 bmse011563 1 69 1 1.1787 bmse011563 1 70 1 1.1730 bmse011563 1 71 1 1.1677 bmse011563 1 72 1 1.1607 bmse011563 1 73 1 1.1550 bmse011563 1 74 1 1.1506 bmse011563 1 75 1 1.1471 bmse011563 1 76 1 1.1374 bmse011563 1 77 1 1.1332 bmse011563 1 78 1 1.1284 bmse011563 1 79 1 1.1235 bmse011563 1 80 1 1.1147 bmse011563 1 81 1 1.1092 bmse011563 1 82 1 1.1049 bmse011563 1 83 1 1.0903 bmse011563 1 84 1 1.0870 bmse011563 1 85 1 3.7759 bmse011563 1 86 1 3.7695 bmse011563 1 87 1 3.7660 bmse011563 1 88 1 3.7596 bmse011563 1 89 1 3.7527 bmse011563 1 90 1 3.7462 bmse011563 1 91 1 3.7426 bmse011563 1 92 1 3.7363 bmse011563 1 93 1 2.5968 bmse011563 1 94 1 2.5998 bmse011563 1 95 1 2.6029 bmse011563 1 96 1 2.6060 bmse011563 1 97 1 2.6091 bmse011563 1 98 1 0.8231 bmse011563 1 99 1 0.8345 bmse011563 1 100 1 1.7019 bmse011563 1 101 1 1.7005 bmse011563 1 102 1 1.6979 bmse011563 1 103 1 1.6937 bmse011563 1 104 1 1.6904 bmse011563 1 105 1 1.6845 bmse011563 1 106 1 1.6775 bmse011563 1 107 1 1.6706 bmse011563 1 108 1 1.6649 bmse011563 1 109 1 1.6579 bmse011563 1 110 1 1.6475 bmse011563 1 111 1 1.6409 bmse011563 1 112 1 1.6228 bmse011563 1 113 1 1.6189 bmse011563 1 114 1 1.6169 bmse011563 1 115 1 1.5949 bmse011563 1 116 1 1.5914 bmse011563 1 117 1 1.5883 bmse011563 1 118 1 1.5850 bmse011563 1 119 1 1.5809 bmse011563 1 120 1 1.5738 bmse011563 1 121 1 1.5685 bmse011563 1 122 1 1.5606 bmse011563 1 123 1 1.5558 bmse011563 1 124 1 1.5499 bmse011563 1 125 1 1.5448 bmse011563 1 126 1 1.5384 bmse011563 1 127 1 1.5331 bmse011563 1 128 1 1.5283 bmse011563 1 129 1 3.5365 bmse011563 1 130 1 3.5297 bmse011563 1 131 1 3.5237 bmse011563 1 132 1 3.5198 bmse011563 1 133 1 3.5136 bmse011563 1 134 1 3.5068 bmse011563 1 135 1 3.4996 bmse011563 1 136 1 3.4971 bmse011563 1 137 1 3.4912 bmse011563 1 138 1 3.4833 bmse011563 1 139 1 3.4745 bmse011563 1 stop_ save_