######################### # 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 bmse011495 _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 bmse011495 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 bmse011495 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011495 1 2 bmse011495 1 3 bmse011495 1 4 bmse011495 1 5 bmse011495 1 6 bmse011495 1 7 bmse011495 1 8 bmse011495 1 9 bmse011495 1 10 bmse011495 1 11 bmse011495 1 12 bmse011495 1 13 bmse011495 1 14 bmse011495 1 15 bmse011495 1 16 bmse011495 1 17 bmse011495 1 18 bmse011495 1 19 bmse011495 1 20 bmse011495 1 21 bmse011495 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 7.0888 t_1H bmse011495 1 2 1 6.9269 m_3H_Q1 bmse011495 1 3 1 6.8124 m_2H bmse011495 1 4 1 1.1086 m_6H bmse011495 1 5 1 3.0906 t_1H bmse011495 1 6 1 3.5368 m_9H bmse011495 1 7 1 7.5646 m_1H bmse011495 1 8 1 2.6031 DMSO bmse011495 1 9 1 1.2194 m_3H bmse011495 1 10 1 3.6350 m_4H bmse011495 1 11 1 2.7197 Imp2 bmse011495 1 12 1 3.0427 t_1H bmse011495 1 13 1 3.3816 m_12H bmse011495 1 14 1 2.4311 Imp1 bmse011495 1 15 1 1.0185 m_6H bmse011495 1 16 1 0.9563 m_1H bmse011495 1 17 1 3.7341 m_6H bmse011495 1 18 1 3.2728 s_2H bmse011495 1 19 1 7.2440 m_1H bmse011495 1 20 1 7.0518 s_1H bmse011495 1 21 1 1.0510 s_1H bmse011495 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 3.1361 bmse011495 1 2 2 1 5.5845 bmse011495 1 3 3 1 4.3466 bmse011495 1 4 4 1 7.0425 bmse011495 1 5 5 1 5.1718 bmse011495 1 6 6 1 5.3369 bmse011495 1 7 7 1 6.7124 bmse011495 1 8 8 1 0.0000 bmse011495 1 9 9 1 3.8514 bmse011495 1 10 10 1 3.5873 bmse011495 1 11 11 1 0.0000 bmse011495 1 12 12 1 7.4277 bmse011495 1 13 13 1 6.8224 bmse011495 1 14 14 1 0.0000 bmse011495 1 15 15 1 3.0673 bmse011495 1 16 16 1 7.0425 bmse011495 1 17 17 1 5.2504 bmse011495 1 18 18 1 0.0000 bmse011495 1 19 19 1 3.2187 bmse011495 1 20 20 1 0.0000 bmse011495 1 21 21 1 0.0000 bmse011495 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011495 1 2 bmse011495 1 3 bmse011495 1 4 bmse011495 1 5 bmse011495 1 6 bmse011495 1 7 bmse011495 1 8 bmse011495 1 9 bmse011495 1 10 bmse011495 1 11 bmse011495 1 12 bmse011495 1 13 bmse011495 1 14 bmse011495 1 15 bmse011495 1 16 bmse011495 1 17 bmse011495 1 18 bmse011495 1 19 bmse011495 1 20 bmse011495 1 21 bmse011495 1 22 bmse011495 1 23 bmse011495 1 24 bmse011495 1 25 bmse011495 1 26 bmse011495 1 27 bmse011495 1 28 bmse011495 1 29 bmse011495 1 30 bmse011495 1 31 bmse011495 1 32 bmse011495 1 33 bmse011495 1 34 bmse011495 1 35 bmse011495 1 36 bmse011495 1 37 bmse011495 1 38 bmse011495 1 39 bmse011495 1 40 bmse011495 1 41 bmse011495 1 42 bmse011495 1 43 bmse011495 1 44 bmse011495 1 45 bmse011495 1 46 bmse011495 1 47 bmse011495 1 48 bmse011495 1 49 bmse011495 1 50 bmse011495 1 51 bmse011495 1 52 bmse011495 1 53 bmse011495 1 54 bmse011495 1 55 bmse011495 1 56 bmse011495 1 57 bmse011495 1 58 bmse011495 1 59 bmse011495 1 60 bmse011495 1 61 bmse011495 1 62 bmse011495 1 63 bmse011495 1 64 bmse011495 1 65 bmse011495 1 66 bmse011495 1 67 bmse011495 1 68 bmse011495 1 69 bmse011495 1 70 bmse011495 1 71 bmse011495 1 72 bmse011495 1 73 bmse011495 1 74 bmse011495 1 75 bmse011495 1 76 bmse011495 1 77 bmse011495 1 78 bmse011495 1 79 bmse011495 1 80 bmse011495 1 81 bmse011495 1 82 bmse011495 1 83 bmse011495 1 84 bmse011495 1 85 bmse011495 1 86 bmse011495 1 87 bmse011495 1 88 bmse011495 1 89 bmse011495 1 90 bmse011495 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 7.0835 bmse011495 1 2 1 7.0890 bmse011495 1 3 1 7.0940 bmse011495 1 4 1 6.9455 bmse011495 1 5 1 6.9301 bmse011495 1 6 1 6.9235 bmse011495 1 7 1 6.9123 bmse011495 1 8 1 6.9082 bmse011495 1 9 1 6.8197 bmse011495 1 10 1 6.8107 bmse011495 1 11 1 6.8052 bmse011495 1 12 1 1.1380 bmse011495 1 13 1 1.1189 bmse011495 1 14 1 1.1160 bmse011495 1 15 1 1.1029 bmse011495 1 16 1 1.0910 bmse011495 1 17 1 1.0793 bmse011495 1 18 1 3.0820 bmse011495 1 19 1 3.0902 bmse011495 1 20 1 3.0992 bmse011495 1 21 1 3.5812 bmse011495 1 22 1 3.5699 bmse011495 1 23 1 3.5645 bmse011495 1 24 1 3.5622 bmse011495 1 25 1 3.5574 bmse011495 1 26 1 3.5512 bmse011495 1 27 1 3.5451 bmse011495 1 28 1 3.5136 bmse011495 1 29 1 3.5022 bmse011495 1 30 1 3.4998 bmse011495 1 31 1 3.4923 bmse011495 1 32 1 7.5758 bmse011495 1 33 1 7.5617 bmse011495 1 34 1 7.5534 bmse011495 1 35 1 2.6031 bmse011495 1 36 1 1.2355 bmse011495 1 37 1 1.2276 bmse011495 1 38 1 1.2236 bmse011495 1 39 1 1.2155 bmse011495 1 40 1 1.2115 bmse011495 1 41 1 1.2034 bmse011495 1 42 1 3.6500 bmse011495 1 43 1 3.6443 bmse011495 1 44 1 3.6427 bmse011495 1 45 1 3.6366 bmse011495 1 46 1 3.6260 bmse011495 1 47 1 3.6201 bmse011495 1 48 1 2.7197 bmse011495 1 49 1 3.0303 bmse011495 1 50 1 3.0426 bmse011495 1 51 1 3.0550 bmse011495 1 52 1 3.4384 bmse011495 1 53 1 3.4248 bmse011495 1 54 1 3.4155 bmse011495 1 55 1 3.4014 bmse011495 1 56 1 3.3909 bmse011495 1 57 1 3.3834 bmse011495 1 58 1 3.3807 bmse011495 1 59 1 3.3599 bmse011495 1 60 1 3.3486 bmse011495 1 61 1 3.3365 bmse011495 1 62 1 3.3247 bmse011495 1 63 1 2.4311 bmse011495 1 64 1 1.0389 bmse011495 1 65 1 1.0329 bmse011495 1 66 1 1.0261 bmse011495 1 67 1 1.0215 bmse011495 1 68 1 1.0144 bmse011495 1 69 1 1.0098 bmse011495 1 70 1 1.0091 bmse011495 1 71 1 1.0030 bmse011495 1 72 1 0.9981 bmse011495 1 73 1 0.9621 bmse011495 1 74 1 0.9504 bmse011495 1 75 1 3.7648 bmse011495 1 76 1 3.7561 bmse011495 1 77 1 3.7470 bmse011495 1 78 1 3.7417 bmse011495 1 79 1 3.7330 bmse011495 1 80 1 3.7231 bmse011495 1 81 1 3.7131 bmse011495 1 82 1 3.7035 bmse011495 1 83 1 3.2728 bmse011495 1 84 1 7.2548 bmse011495 1 85 1 7.2511 bmse011495 1 86 1 7.2452 bmse011495 1 87 1 7.2405 bmse011495 1 88 1 7.2333 bmse011495 1 89 1 7.0518 bmse011495 1 90 1 1.0510 bmse011495 1 stop_ save_