######################### # 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 bmse011457 _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 bmse011457 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 bmse011457 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011457 1 2 bmse011457 1 3 bmse011457 1 4 bmse011457 1 5 bmse011457 1 6 bmse011457 1 7 bmse011457 1 8 bmse011457 1 9 bmse011457 1 10 bmse011457 1 11 bmse011457 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 1.9274 12_m bmse011457 1 2 1 1.7669 13_m bmse011457 1 3 1 2.7219 Imp2_11_m bmse011457 1 4 1 3.6424 4_m_Q3 bmse011457 1 5 1 1.3821 13_m bmse011457 1 6 1 1.5067 12_m_Q1 bmse011457 1 7 1 2.9021 9_s_Q2 bmse011457 1 8 1 3.4919 11_m bmse011457 1 9 1 2.6034 DMSO bmse011457 1 10 1 4.6500 SUP bmse011457 1 11 1 2.3321 3_m bmse011457 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 3.5055 bmse011457 1 2 2 1 2.7620 bmse011457 1 3 3 1 70.7421 bmse011457 1 4 4 1 3.1471 bmse011457 1 5 5 1 5.8635 bmse011457 1 6 6 1 2.6798 bmse011457 1 7 7 1 0.0000 bmse011457 1 8 8 1 3.8514 bmse011457 1 9 9 1 1.8432 bmse011457 1 10 10 1 0.0000 bmse011457 1 11 11 1 3.3501 bmse011457 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011457 1 2 bmse011457 1 3 bmse011457 1 4 bmse011457 1 5 bmse011457 1 6 bmse011457 1 7 bmse011457 1 8 bmse011457 1 9 bmse011457 1 10 bmse011457 1 11 bmse011457 1 12 bmse011457 1 13 bmse011457 1 14 bmse011457 1 15 bmse011457 1 16 bmse011457 1 17 bmse011457 1 18 bmse011457 1 19 bmse011457 1 20 bmse011457 1 21 bmse011457 1 22 bmse011457 1 23 bmse011457 1 24 bmse011457 1 25 bmse011457 1 26 bmse011457 1 27 bmse011457 1 28 bmse011457 1 29 bmse011457 1 30 bmse011457 1 31 bmse011457 1 32 bmse011457 1 33 bmse011457 1 34 bmse011457 1 35 bmse011457 1 36 bmse011457 1 37 bmse011457 1 38 bmse011457 1 39 bmse011457 1 40 bmse011457 1 41 bmse011457 1 42 bmse011457 1 43 bmse011457 1 44 bmse011457 1 45 bmse011457 1 46 bmse011457 1 47 bmse011457 1 48 bmse011457 1 49 bmse011457 1 50 bmse011457 1 51 bmse011457 1 52 bmse011457 1 53 bmse011457 1 54 bmse011457 1 55 bmse011457 1 56 bmse011457 1 57 bmse011457 1 58 bmse011457 1 59 bmse011457 1 60 bmse011457 1 61 bmse011457 1 62 bmse011457 1 63 bmse011457 1 64 bmse011457 1 65 bmse011457 1 66 bmse011457 1 67 bmse011457 1 68 bmse011457 1 69 bmse011457 1 70 bmse011457 1 71 bmse011457 1 72 bmse011457 1 73 bmse011457 1 74 bmse011457 1 75 bmse011457 1 76 bmse011457 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 1.9478 bmse011457 1 2 1 1.9414 bmse011457 1 3 1 1.9351 bmse011457 1 4 1 1.9285 bmse011457 1 5 1 1.9271 bmse011457 1 6 1 1.9194 bmse011457 1 7 1 1.9130 bmse011457 1 8 1 1.9069 bmse011457 1 9 1 1.7899 bmse011457 1 10 1 1.7896 bmse011457 1 11 1 1.7841 bmse011457 1 12 1 1.7837 bmse011457 1 13 1 1.7782 bmse011457 1 14 1 1.7723 bmse011457 1 15 1 1.7670 bmse011457 1 16 1 1.7613 bmse011457 1 17 1 1.7555 bmse011457 1 18 1 1.7498 bmse011457 1 19 1 1.7439 bmse011457 1 20 1 2.7808 bmse011457 1 21 1 2.6630 bmse011457 1 22 1 3.6555 bmse011457 1 23 1 3.6524 bmse011457 1 24 1 3.6489 bmse011457 1 25 1 3.6361 bmse011457 1 26 1 3.6328 bmse011457 1 27 1 3.6293 bmse011457 1 28 1 1.4163 bmse011457 1 29 1 1.4097 bmse011457 1 30 1 1.3959 bmse011457 1 31 1 1.3899 bmse011457 1 32 1 1.3745 bmse011457 1 33 1 1.3679 bmse011457 1 34 1 1.3543 bmse011457 1 35 1 1.3479 bmse011457 1 36 1 1.5446 bmse011457 1 37 1 1.5378 bmse011457 1 38 1 1.5309 bmse011457 1 39 1 1.5244 bmse011457 1 40 1 1.5177 bmse011457 1 41 1 1.5109 bmse011457 1 42 1 1.5046 bmse011457 1 43 1 1.5021 bmse011457 1 44 1 1.5017 bmse011457 1 45 1 1.4979 bmse011457 1 46 1 1.4953 bmse011457 1 47 1 1.4914 bmse011457 1 48 1 1.4911 bmse011457 1 49 1 1.4887 bmse011457 1 50 1 1.4881 bmse011457 1 51 1 1.4821 bmse011457 1 52 1 1.4755 bmse011457 1 53 1 1.4687 bmse011457 1 54 1 2.9021 bmse011457 1 55 1 3.5079 bmse011457 1 56 1 3.5015 bmse011457 1 57 1 3.4956 bmse011457 1 58 1 3.4879 bmse011457 1 59 1 3.4817 bmse011457 1 60 1 3.4758 bmse011457 1 61 1 2.5972 bmse011457 1 62 1 2.6001 bmse011457 1 63 1 2.6033 bmse011457 1 64 1 2.6064 bmse011457 1 65 1 2.6095 bmse011457 1 66 1 4.6500 bmse011457 1 67 1 2.3572 bmse011457 1 68 1 2.3506 bmse011457 1 69 1 2.3442 bmse011457 1 70 1 2.3387 bmse011457 1 71 1 2.3378 bmse011457 1 72 1 2.3321 bmse011457 1 73 1 2.3257 bmse011457 1 74 1 2.3200 bmse011457 1 75 1 2.3136 bmse011457 1 76 1 2.3070 bmse011457 1 stop_ save_