######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H_set01 _Spectral_peak_list.Entry_ID bmse001335 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_TMS _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 'Full H' . . 16.03 ppm . . . . . . bmse001335 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001335 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001335 1 2 . . . bmse001335 1 3 . . . bmse001335 1 4 . . . bmse001335 1 5 . . . bmse001335 1 6 . . . bmse001335 1 7 . . . bmse001335 1 8 . . . bmse001335 1 9 . . . bmse001335 1 10 . . . bmse001335 1 11 . . . bmse001335 1 12 . . . bmse001335 1 13 . . . bmse001335 1 14 . . . bmse001335 1 15 . . . bmse001335 1 16 . . . bmse001335 1 17 . . . bmse001335 1 18 . . . bmse001335 1 19 . . . bmse001335 1 20 . . . bmse001335 1 21 . . . bmse001335 1 22 . . . bmse001335 1 23 . . . bmse001335 1 24 . . . bmse001335 1 25 . . . bmse001335 1 26 . . . bmse001335 1 27 . . . bmse001335 1 28 . . . bmse001335 1 29 . . . bmse001335 1 30 . . . bmse001335 1 31 . . . bmse001335 1 32 . . . bmse001335 1 33 . . . bmse001335 1 34 . . . bmse001335 1 35 . . . bmse001335 1 36 . . . bmse001335 1 37 . . . bmse001335 1 38 . . . bmse001335 1 39 . . . bmse001335 1 40 . . . bmse001335 1 41 . . . bmse001335 1 42 . . . bmse001335 1 43 . . . bmse001335 1 44 . . . bmse001335 1 45 . . . bmse001335 1 46 . . . bmse001335 1 47 . . . bmse001335 1 48 . . . bmse001335 1 49 . . . bmse001335 1 50 . . . bmse001335 1 51 . . . bmse001335 1 52 . . . bmse001335 1 53 . . . bmse001335 1 54 . . . bmse001335 1 55 . . . bmse001335 1 56 . . . bmse001335 1 57 . . . bmse001335 1 58 . . . bmse001335 1 59 . . . bmse001335 1 60 . . . bmse001335 1 61 . . . bmse001335 1 62 . . . bmse001335 1 63 . . . bmse001335 1 64 . . . bmse001335 1 65 . . . bmse001335 1 66 . . . bmse001335 1 67 . . . bmse001335 1 68 . . . bmse001335 1 69 . . . bmse001335 1 70 . . . bmse001335 1 71 . . . bmse001335 1 72 . . . bmse001335 1 73 . . . bmse001335 1 74 . . . bmse001335 1 75 . . . bmse001335 1 76 . . . bmse001335 1 77 . . . bmse001335 1 78 . . . bmse001335 1 79 . . . bmse001335 1 80 . . . bmse001335 1 81 . . . bmse001335 1 82 . . . bmse001335 1 83 . . . bmse001335 1 84 . . . bmse001335 1 85 . . . bmse001335 1 86 . . . bmse001335 1 87 . . . bmse001335 1 88 . . . bmse001335 1 89 . . . bmse001335 1 90 . . . bmse001335 1 91 . . . bmse001335 1 92 . . . bmse001335 1 93 . . . bmse001335 1 94 . . . bmse001335 1 95 . . . bmse001335 1 96 . . . bmse001335 1 97 . . . bmse001335 1 98 . . . bmse001335 1 99 . . . bmse001335 1 100 . . . bmse001335 1 101 . . . bmse001335 1 102 . . . bmse001335 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 0.5729345 . 'relative height' bmse001335 1 2 . 0.7004208 . 'relative height' bmse001335 1 3 . 0.3462647 . 'relative height' bmse001335 1 4 . 0.3587099 . 'relative height' bmse001335 1 5 . 0.2883371 . 'relative height' bmse001335 1 6 . 0.2749819 . 'relative height' bmse001335 1 7 . 0.4691191 . 'relative height' bmse001335 1 8 . 0.4543052 . 'relative height' bmse001335 1 9 . 0.4290165 . 'relative height' bmse001335 1 10 . 0.8704095 . 'relative height' bmse001335 1 11 . 0.8440265 . 'relative height' bmse001335 1 12 . 0.1125513 . 'relative height' bmse001335 1 13 . 0.1297996 . 'relative height' bmse001335 1 14 . 0.1826541 . 'relative height' bmse001335 1 15 . 0.1694245 . 'relative height' bmse001335 1 16 . 0.1247559 . 'relative height' bmse001335 1 17 . 0.1111699 . 'relative height' bmse001335 1 18 . 0.2298137 . 'relative height' bmse001335 1 19 . 0.3828827 . 'relative height' bmse001335 1 20 . 0.3763076 . 'relative height' bmse001335 1 21 . 0.2092177 . 'relative height' bmse001335 1 22 . 0.4126555 . 'relative height' bmse001335 1 23 . 0.4234814 . 'relative height' bmse001335 1 24 . 0.5561303 . 'relative height' bmse001335 1 25 . 0.5154621 . 'relative height' bmse001335 1 26 . 0.1164453 . 'relative height' bmse001335 1 27 . 0.22207 . 'relative height' bmse001335 1 28 . 0.2845381 . 'relative height' bmse001335 1 29 . 0.1955107 . 'relative height' bmse001335 1 30 . 0.4945702 . 'relative height' bmse001335 1 31 . 0.5387609 . 'relative height' bmse001335 1 32 . 0.5391288 . 'relative height' bmse001335 1 33 . 0.485626 . 'relative height' bmse001335 1 34 . 0.4413435 . 'relative height' bmse001335 1 35 . 0.4343773 . 'relative height' bmse001335 1 36 . 0.412719 . 'relative height' bmse001335 1 37 . 0.4504425 . 'relative height' bmse001335 1 38 . 0.2623844 . 'relative height' bmse001335 1 39 . 0.4785219 . 'relative height' bmse001335 1 40 . 0.5108168 . 'relative height' bmse001335 1 41 . 0.6583164 . 'relative height' bmse001335 1 42 . 0.2693438 . 'relative height' bmse001335 1 43 . 0.06285348 . 'relative height' bmse001335 1 44 . 0.1401556 . 'relative height' bmse001335 1 45 . 0.1517501 . 'relative height' bmse001335 1 46 . 0.1465153 . 'relative height' bmse001335 1 47 . 0.1603384 . 'relative height' bmse001335 1 48 . 0.2623483 . 'relative height' bmse001335 1 49 . 0.2440245 . 'relative height' bmse001335 1 50 . 0.2291542 . 'relative height' bmse001335 1 51 . 0.2113306 . 'relative height' bmse001335 1 52 . 0.3133667 . 'relative height' bmse001335 1 53 . 0.3210575 . 'relative height' bmse001335 1 54 . 0.2056228 . 'relative height' bmse001335 1 55 . 0.1921131 . 'relative height' bmse001335 1 56 . 0.1964053 . 'relative height' bmse001335 1 57 . 0.1271545 . 'relative height' bmse001335 1 58 . 0.1814228 . 'relative height' bmse001335 1 59 . 0.2920664 . 'relative height' bmse001335 1 60 . 0.09556967 . 'relative height' bmse001335 1 61 . 0.2213499 . 'relative height' bmse001335 1 62 . 0.1962139 . 'relative height' bmse001335 1 63 . 0.1075863 . 'relative height' bmse001335 1 64 . 0.2391391 . 'relative height' bmse001335 1 65 . 0.2446184 . 'relative height' bmse001335 1 66 . 0.4821237 . 'relative height' bmse001335 1 67 . 0.2812177 . 'relative height' bmse001335 1 68 . 0.3854796 . 'relative height' bmse001335 1 69 . 0.3507571 . 'relative height' bmse001335 1 70 . 0.330355 . 'relative height' bmse001335 1 71 . 0.3766034 . 'relative height' bmse001335 1 72 . 0.3433493 . 'relative height' bmse001335 1 73 . 0.2900968 . 'relative height' bmse001335 1 74 . 0.4620523 . 'relative height' bmse001335 1 75 . 0.2904932 . 'relative height' bmse001335 1 76 . 0.07350634 . 'relative height' bmse001335 1 77 . 0.06850595 . 'relative height' bmse001335 1 78 . 0.2422396 . 'relative height' bmse001335 1 79 . 0.3228806 . 'relative height' bmse001335 1 80 . 0.2955382 . 'relative height' bmse001335 1 81 . 0.4453594 . 'relative height' bmse001335 1 82 . 0.3556444 . 'relative height' bmse001335 1 83 . 0.2758762 . 'relative height' bmse001335 1 84 . 0.2360331 . 'relative height' bmse001335 1 85 . 0.2270714 . 'relative height' bmse001335 1 86 . 0.2362603 . 'relative height' bmse001335 1 87 . 0.2142393 . 'relative height' bmse001335 1 88 . 0.2577609 . 'relative height' bmse001335 1 89 . 0.3316675 . 'relative height' bmse001335 1 90 . 0.1700331 . 'relative height' bmse001335 1 91 . 0.2259678 . 'relative height' bmse001335 1 92 . 0.2350647 . 'relative height' bmse001335 1 93 . 0.1014354 . 'relative height' bmse001335 1 94 . 3.684708 . 'relative height' bmse001335 1 95 . 2.49445 . 'relative height' bmse001335 1 96 . 3.707298 . 'relative height' bmse001335 1 97 . 2.26764 . 'relative height' bmse001335 1 98 . 2.191832 . 'relative height' bmse001335 1 99 . 2.148181 . 'relative height' bmse001335 1 100 . 2.375404 . 'relative height' bmse001335 1 101 . 3.304496 . 'relative height' bmse001335 1 102 . 1.396485 . 'relative height' bmse001335 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 5.96613 . . . . . . . . . . . bmse001335 1 2 . 1 5.946791 . . . . . . . . . . . bmse001335 1 3 . 1 5.797401 . . . . . . . . . . . bmse001335 1 4 . 1 5.785295 . . . . . . . . . . . bmse001335 1 5 . 1 5.778319 . . . . . . . . . . . bmse001335 1 6 . 1 5.76618 . . . . . . . . . . . bmse001335 1 7 . 1 5.502678 . . . . . . . . . . . bmse001335 1 8 . 1 5.231381 . . . . . . . . . . . bmse001335 1 9 . 1 5.22608 . . . . . . . . . . . bmse001335 1 10 . 1 5.198478 . . . . . . . . . . . bmse001335 1 11 . 1 5.192017 . . . . . . . . . . . bmse001335 1 12 . 1 4.479985 . . . . . . . . . . . bmse001335 1 13 . 1 4.472474 . . . . . . . . . . . bmse001335 1 14 . 1 4.464912 . . . . . . . . . . . bmse001335 1 15 . 1 4.45745 . . . . . . . . . . . bmse001335 1 16 . 1 4.449673 . . . . . . . . . . . bmse001335 1 17 . 1 4.442005 . . . . . . . . . . . bmse001335 1 18 . 1 4.105571 . . . . . . . . . . . bmse001335 1 19 . 1 4.098355 . . . . . . . . . . . bmse001335 1 20 . 1 4.091299 . . . . . . . . . . . bmse001335 1 21 . 1 4.083962 . . . . . . . . . . . bmse001335 1 22 . 1 2.645026 . . . . . . . . . . . bmse001335 1 23 . 1 2.63599 . . . . . . . . . . . bmse001335 1 24 . 1 2.610429 . . . . . . . . . . . bmse001335 1 25 . 1 2.601415 . . . . . . . . . . . bmse001335 1 26 . 1 2.510995 . . . . . . . . . . . bmse001335 1 27 . 1 2.507468 . . . . . . . . . . . bmse001335 1 28 . 1 2.503837 . . . . . . . . . . . bmse001335 1 29 . 1 2.500233 . . . . . . . . . . . bmse001335 1 30 . 1 2.400131 . . . . . . . . . . . bmse001335 1 31 . 1 2.396819 . . . . . . . . . . . bmse001335 1 32 . 1 2.393578 . . . . . . . . . . . bmse001335 1 33 . 1 2.390205 . . . . . . . . . . . bmse001335 1 34 . 1 2.36554 . . . . . . . . . . . bmse001335 1 35 . 1 2.362345 . . . . . . . . . . . bmse001335 1 36 . 1 2.358839 . . . . . . . . . . . bmse001335 1 37 . 1 2.35535 . . . . . . . . . . . bmse001335 1 38 . 1 2.341345 . . . . . . . . . . . bmse001335 1 39 . 1 2.319394 . . . . . . . . . . . bmse001335 1 40 . 1 2.305995 . . . . . . . . . . . bmse001335 1 41 . 1 2.29261 . . . . . . . . . . . bmse001335 1 42 . 1 2.27856 . . . . . . . . . . . bmse001335 1 43 . 1 2.264691 . . . . . . . . . . . bmse001335 1 44 . 1 1.959629 . . . . . . . . . . . bmse001335 1 45 . 1 1.955358 . . . . . . . . . . . bmse001335 1 46 . 1 1.943601 . . . . . . . . . . . bmse001335 1 47 . 1 1.939166 . . . . . . . . . . . bmse001335 1 48 . 1 1.929835 . . . . . . . . . . . bmse001335 1 49 . 1 1.925699 . . . . . . . . . . . bmse001335 1 50 . 1 1.913839 . . . . . . . . . . . bmse001335 1 51 . 1 1.909854 . . . . . . . . . . . bmse001335 1 52 . 1 1.843458 . . . . . . . . . . . bmse001335 1 53 . 1 1.83635 . . . . . . . . . . . bmse001335 1 54 . 1 1.813745 . . . . . . . . . . . bmse001335 1 55 . 1 1.806704 . . . . . . . . . . . bmse001335 1 56 . 1 1.770772 . . . . . . . . . . . bmse001335 1 57 . 1 1.763296 . . . . . . . . . . . bmse001335 1 58 . 1 1.752777 . . . . . . . . . . . bmse001335 1 59 . 1 1.745761 . . . . . . . . . . . bmse001335 1 60 . 1 1.720197 . . . . . . . . . . . bmse001335 1 61 . 1 1.70383 . . . . . . . . . . . bmse001335 1 62 . 1 1.680837 . . . . . . . . . . . bmse001335 1 63 . 1 1.664379 . . . . . . . . . . . bmse001335 1 64 . 1 1.6481 . . . . . . . . . . . bmse001335 1 65 . 1 1.642249 . . . . . . . . . . . bmse001335 1 66 . 1 1.619806 . . . . . . . . . . . bmse001335 1 67 . 1 1.614283 . . . . . . . . . . . bmse001335 1 68 . 1 1.597545 . . . . . . . . . . . bmse001335 1 69 . 1 1.591337 . . . . . . . . . . . bmse001335 1 70 . 1 1.576691 . . . . . . . . . . . bmse001335 1 71 . 1 1.561909 . . . . . . . . . . . bmse001335 1 72 . 1 1.549773 . . . . . . . . . . . bmse001335 1 73 . 1 1.54714 . . . . . . . . . . . bmse001335 1 74 . 1 1.534957 . . . . . . . . . . . bmse001335 1 75 . 1 1.520125 . . . . . . . . . . . bmse001335 1 76 . 1 1.505339 . . . . . . . . . . . bmse001335 1 77 . 1 1.432446 . . . . . . . . . . . bmse001335 1 78 . 1 1.417554 . . . . . . . . . . . bmse001335 1 79 . 1 1.404891 . . . . . . . . . . . bmse001335 1 80 . 1 1.402826 . . . . . . . . . . . bmse001335 1 81 . 1 1.390259 . . . . . . . . . . . bmse001335 1 82 . 1 1.375674 . . . . . . . . . . . bmse001335 1 83 . 1 1.363037 . . . . . . . . . . . bmse001335 1 84 . 1 1.348973 . . . . . . . . . . . bmse001335 1 85 . 1 1.330534 . . . . . . . . . . . bmse001335 1 86 . 1 1.310083 . . . . . . . . . . . bmse001335 1 87 . 1 1.302649 . . . . . . . . . . . bmse001335 1 88 . 1 1.279732 . . . . . . . . . . . bmse001335 1 89 . 1 1.262425 . . . . . . . . . . . bmse001335 1 90 . 1 1.2538 . . . . . . . . . . . bmse001335 1 91 . 1 1.245303 . . . . . . . . . . . bmse001335 1 92 . 1 1.23376 . . . . . . . . . . . bmse001335 1 93 . 1 1.22258 . . . . . . . . . . . bmse001335 1 94 . 1 1.029202 . . . . . . . . . . . bmse001335 1 95 . 1 1.022498 . . . . . . . . . . . bmse001335 1 96 . 1 1.015381 . . . . . . . . . . . bmse001335 1 97 . 1 1.007738 . . . . . . . . . . . bmse001335 1 98 . 1 0.843069 . . . . . . . . . . . bmse001335 1 99 . 1 0.832121 . . . . . . . . . . . bmse001335 1 100 . 1 0.829204 . . . . . . . . . . . bmse001335 1 101 . 1 0.817488 . . . . . . . . . . . bmse001335 1 102 . 1 0.802592 . . . . . . . . . . . bmse001335 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_13C_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_13C_set01 _Spectral_peak_list.Entry_ID bmse001335 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_TMS _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '1D 13C' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 248.61 ppm . . . . . . bmse001335 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001335 2 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001335 2 2 . . . bmse001335 2 3 . . . bmse001335 2 4 . . . bmse001335 2 5 . . . bmse001335 2 6 . . . bmse001335 2 7 . . . bmse001335 2 8 . . . bmse001335 2 9 . . . bmse001335 2 10 . . . bmse001335 2 11 . . . bmse001335 2 12 . . . bmse001335 2 13 . . . bmse001335 2 14 . . . bmse001335 2 15 . . . bmse001335 2 16 . . . bmse001335 2 17 . . . bmse001335 2 18 . . . bmse001335 2 19 . . . bmse001335 2 20 . . . bmse001335 2 21 . . . bmse001335 2 22 . . . bmse001335 2 23 . . . bmse001335 2 24 . . . bmse001335 2 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 0.4567738 . 'relative height' bmse001335 2 2 . 0.4562048 . 'relative height' bmse001335 2 3 . 0.5577917 . 'relative height' bmse001335 2 4 . 0.4495762 . 'relative height' bmse001335 2 5 . 0.5109048 . 'relative height' bmse001335 2 6 . 0.4965872 . 'relative height' bmse001335 2 7 . 0.7095663 . 'relative height' bmse001335 2 8 . 0.5759986 . 'relative height' bmse001335 2 9 . 0.7613518 . 'relative height' bmse001335 2 10 . 0.8395827 . 'relative height' bmse001335 2 11 . 0.7245398 . 'relative height' bmse001335 2 12 . 0.6812143 . 'relative height' bmse001335 2 13 . 0.6509099 . 'relative height' bmse001335 2 14 . 0.625685 . 'relative height' bmse001335 2 15 . 0.5357851 . 'relative height' bmse001335 2 16 . 0.5289604 . 'relative height' bmse001335 2 17 . 0.6316013 . 'relative height' bmse001335 2 18 . 0.6426769 . 'relative height' bmse001335 2 19 . 0.8241707 . 'relative height' bmse001335 2 20 . 0.5179863 . 'relative height' bmse001335 2 21 . 0.8172138 . 'relative height' bmse001335 2 22 . 0.9798808 . 'relative height' bmse001335 2 23 . 0.8339192 . 'relative height' bmse001335 2 24 . 1.030128 . 'relative height' bmse001335 2 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 175.547668 . . . . . . . . . . . bmse001335 2 2 . 1 170.198349 . . . . . . . . . . . bmse001335 2 3 . 1 133.06337 . . . . . . . . . . . bmse001335 2 4 . 1 131.545166 . . . . . . . . . . . bmse001335 2 5 . 1 129.169067 . . . . . . . . . . . bmse001335 2 6 . 1 128.249557 . . . . . . . . . . . bmse001335 2 7 . 1 75.784592 . . . . . . . . . . . bmse001335 2 8 . 1 67.407585 . . . . . . . . . . . bmse001335 2 9 . 1 61.251831 . . . . . . . . . . . bmse001335 2 10 . 1 40.697693 . . . . . . . . . . . bmse001335 2 11 . 1 38.526909 . . . . . . . . . . . bmse001335 2 12 . 1 36.364441 . . . . . . . . . . . bmse001335 2 13 . 1 36.009846 . . . . . . . . . . . bmse001335 2 14 . 1 35.332512 . . . . . . . . . . . bmse001335 2 15 . 1 32.376274 . . . . . . . . . . . bmse001335 2 16 . 1 31.904509 . . . . . . . . . . . bmse001335 2 17 . 1 30.125654 . . . . . . . . . . . bmse001335 2 18 . 1 26.897289 . . . . . . . . . . . bmse001335 2 19 . 1 26.333199 . . . . . . . . . . . bmse001335 2 20 . 1 23.648785 . . . . . . . . . . . bmse001335 2 21 . 1 22.594463 . . . . . . . . . . . bmse001335 2 22 . 1 16.059916 . . . . . . . . . . . bmse001335 2 23 . 1 13.640379 . . . . . . . . . . . bmse001335 2 24 . 1 11.363204 . . . . . . . . . . . bmse001335 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Entry_ID bmse001335 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_TMS _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '1D DEPT90' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001335 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001335 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001335 3 2 . . . bmse001335 3 3 . . . bmse001335 3 4 . . . bmse001335 3 5 . . . bmse001335 3 6 . . . bmse001335 3 7 . . . bmse001335 3 8 . . . bmse001335 3 9 . . . bmse001335 3 10 . . . bmse001335 3 11 . . . bmse001335 3 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 10.70077 . 'relative height' bmse001335 3 2 . 11.08203 . 'relative height' bmse001335 3 3 . 10.48024 . 'relative height' bmse001335 3 4 . 13.05966 . 'relative height' bmse001335 3 5 . 11.76244 . 'relative height' bmse001335 3 6 . 15.0 . 'relative height' bmse001335 3 7 . 14.32295 . 'relative height' bmse001335 3 8 . 12.13723 . 'relative height' bmse001335 3 9 . 11.47905 . 'relative height' bmse001335 3 10 . 11.62661 . 'relative height' bmse001335 3 11 . 12.12426 . 'relative height' bmse001335 3 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 132.80629 . . . . . . . . . . . bmse001335 3 2 . 1 128.912064 . . . . . . . . . . . bmse001335 3 3 . 1 127.99321 . . . . . . . . . . . bmse001335 3 4 . 1 75.52845 . . . . . . . . . . . bmse001335 3 5 . 1 67.151764 . . . . . . . . . . . bmse001335 3 6 . 1 60.995159 . . . . . . . . . . . bmse001335 3 7 . 1 40.442059 . . . . . . . . . . . bmse001335 3 8 . 1 36.107544 . . . . . . . . . . . bmse001335 3 9 . 1 35.753841 . . . . . . . . . . . bmse001335 3 10 . 1 29.869446 . . . . . . . . . . . bmse001335 3 11 . 1 26.641407 . . . . . . . . . . . bmse001335 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Entry_ID bmse001335 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_TMS _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '1D DEPT135' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001335 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001335 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001335 4 2 . . . bmse001335 4 3 . . . bmse001335 4 4 . . . bmse001335 4 5 . . . bmse001335 4 6 . . . bmse001335 4 7 . . . bmse001335 4 8 . . . bmse001335 4 9 . . . bmse001335 4 10 . . . bmse001335 4 11 . . . bmse001335 4 12 . . . bmse001335 4 13 . . . bmse001335 4 14 . . . bmse001335 4 15 . . . bmse001335 4 16 . . . bmse001335 4 17 . . . bmse001335 4 18 . . . bmse001335 4 19 . . . bmse001335 4 20 . . . bmse001335 4 21 . . . bmse001335 4 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 6.742543 . 'relative height' bmse001335 4 2 . 6.662707 . 'relative height' bmse001335 4 3 . 6.540066 . 'relative height' bmse001335 4 4 . 8.916677 . 'relative height' bmse001335 4 5 . 7.599362 . 'relative height' bmse001335 4 6 . 10.95622 . 'relative height' bmse001335 4 7 . 10.39449 . 'relative height' bmse001335 4 8 . -11.49308 . 'relative height' bmse001335 4 9 . 8.399149 . 'relative height' bmse001335 4 10 . 7.684752 . 'relative height' bmse001335 4 11 . -9.779137 . 'relative height' bmse001335 4 12 . -6.847546 . 'relative height' bmse001335 4 13 . -7.941077 . 'relative height' bmse001335 4 14 . 7.427889 . 'relative height' bmse001335 4 15 . 8.152222 . 'relative height' bmse001335 4 16 . -13.53142 . 'relative height' bmse001335 4 17 . -6.026878 . 'relative height' bmse001335 4 18 . 13.67761 . 'relative height' bmse001335 4 19 . 15.0 . 'relative height' bmse001335 4 20 . 13.23438 . 'relative height' bmse001335 4 21 . 13.48492 . 'relative height' bmse001335 4 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 132.806442 . . . . . . . . . . . bmse001335 4 2 . 1 128.912094 . . . . . . . . . . . bmse001335 4 3 . 1 127.993378 . . . . . . . . . . . bmse001335 4 4 . 1 75.528587 . . . . . . . . . . . bmse001335 4 5 . 1 67.15229 . . . . . . . . . . . bmse001335 4 6 . 1 60.995605 . . . . . . . . . . . bmse001335 4 7 . 1 40.442814 . . . . . . . . . . . bmse001335 4 8 . 1 38.269657 . . . . . . . . . . . bmse001335 4 9 . 1 36.107796 . . . . . . . . . . . bmse001335 4 10 . 1 35.753994 . . . . . . . . . . . bmse001335 4 11 . 1 35.075253 . . . . . . . . . . . bmse001335 4 12 . 1 32.119759 . . . . . . . . . . . bmse001335 4 13 . 1 31.648781 . . . . . . . . . . . bmse001335 4 14 . 1 29.870119 . . . . . . . . . . . bmse001335 4 15 . 1 26.641457 . . . . . . . . . . . bmse001335 4 16 . 1 26.077143 . . . . . . . . . . . bmse001335 4 17 . 1 23.393318 . . . . . . . . . . . bmse001335 4 18 . 1 22.339987 . . . . . . . . . . . bmse001335 4 19 . 1 15.803371 . . . . . . . . . . . bmse001335 4 20 . 1 13.385828 . . . . . . . . . . . bmse001335 4 21 . 1 11.107211 . . . . . . . . . . . bmse001335 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_2D_1H-13C_HSQC_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_2D_1H-13C_HSQC_set01 _Spectral_peak_list.Entry_ID bmse001335 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_TMS _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C, F2: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 165.00 ppm . . . . . . bmse001335 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001335 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001335 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001335 5 2 . . . bmse001335 5 3 . . . bmse001335 5 4 . . . bmse001335 5 5 . . . bmse001335 5 6 . . . bmse001335 5 7 . . . bmse001335 5 8 . . . bmse001335 5 9 . . . bmse001335 5 10 . . . bmse001335 5 11 . . . bmse001335 5 12 . . . bmse001335 5 13 . . . bmse001335 5 14 . . . bmse001335 5 15 . . . bmse001335 5 16 . . . bmse001335 5 17 . . . bmse001335 5 18 . . . bmse001335 5 19 . . . bmse001335 5 20 . . . bmse001335 5 21 . . . bmse001335 5 22 . . . bmse001335 5 23 . . . bmse001335 5 24 . . . bmse001335 5 25 . . . bmse001335 5 26 . . . bmse001335 5 27 . . . bmse001335 5 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 178560.779296875 . 'relative height' bmse001335 5 2 . 235916.595703125 . 'relative height' bmse001335 5 3 . 199767.478515625 . 'relative height' bmse001335 5 4 . 232726.19921875 . 'relative height' bmse001335 5 5 . 355268.79296875 . 'relative height' bmse001335 5 6 . 293601.591796875 . 'relative height' bmse001335 5 7 . 208378.890625 . 'relative height' bmse001335 5 8 . 115222.736328125 . 'relative height' bmse001335 5 9 . 135499.685546875 . 'relative height' bmse001335 5 10 . 150626.17578125 . 'relative height' bmse001335 5 11 . 59624.521484375 . 'relative height' bmse001335 5 12 . 187923.326171875 . 'relative height' bmse001335 5 13 . 153949.583984375 . 'relative height' bmse001335 5 14 . 109782.015625 . 'relative height' bmse001335 5 15 . 128056.169921875 . 'relative height' bmse001335 5 16 . 172964.44140625 . 'relative height' bmse001335 5 17 . 166166.337890625 . 'relative height' bmse001335 5 18 . 155358.8828125 . 'relative height' bmse001335 5 19 . 145127.771484375 . 'relative height' bmse001335 5 20 . 130987.71484375 . 'relative height' bmse001335 5 21 . 132553.69140625 . 'relative height' bmse001335 5 22 . 130952.873046875 . 'relative height' bmse001335 5 23 . 89609.291015625 . 'relative height' bmse001335 5 24 . 378594.451171875 . 'relative height' bmse001335 5 25 . 516167.947265625 . 'relative height' bmse001335 5 26 . 550081.99609375 . 'relative height' bmse001335 5 27 . 370224.818359375 . 'relative height' bmse001335 5 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 132.80043356330813 . . . . . . . . . . . bmse001335 5 1 . 2 5.782659075862361 . . . . . . . . . . . bmse001335 5 2 . 1 128.97393011687822 . . . . . . . . . . . bmse001335 5 2 . 2 5.506410834805121 . . . . . . . . . . . bmse001335 5 3 . 1 128.0247199596243 . . . . . . . . . . . bmse001335 5 3 . 2 5.95376806099483 . . . . . . . . . . . bmse001335 5 4 . 1 75.43304744389074 . . . . . . . . . . . bmse001335 5 4 . 2 4.459952486860863 . . . . . . . . . . . bmse001335 5 5 . 1 67.15561310648144 . . . . . . . . . . . bmse001335 5 5 . 2 5.229486674391245 . . . . . . . . . . . bmse001335 5 6 . 1 61.04607823839361 . . . . . . . . . . . bmse001335 5 6 . 2 4.098605998803119 . . . . . . . . . . . bmse001335 5 7 . 1 40.42011838917276 . . . . . . . . . . . bmse001335 5 7 . 2 2.2901265250159946 . . . . . . . . . . . bmse001335 5 8 . 1 38.28315311367961 . . . . . . . . . . . bmse001335 5 8 . 2 2.3756453137775035 . . . . . . . . . . . bmse001335 5 9 . 1 38.29971873597025 . . . . . . . . . . . bmse001335 5 9 . 2 2.619984710238958 . . . . . . . . . . . bmse001335 5 10 . 1 36.17931908276775 . . . . . . . . . . . bmse001335 5 10 . 2 2.2990115939782294 . . . . . . . . . . . bmse001335 5 11 . 1 35.97245060991471 . . . . . . . . . . . bmse001335 5 11 . 2 1.5973664195706405 . . . . . . . . . . . bmse001335 5 12 . 1 35.02936832904201 . . . . . . . . . . . bmse001335 5 12 . 2 1.7550195401108735 . . . . . . . . . . . bmse001335 5 13 . 1 35.02936832904201 . . . . . . . . . . . bmse001335 5 13 . 2 1.6239145150431682 . . . . . . . . . . . bmse001335 5 14 . 1 32.115160375617506 . . . . . . . . . . . bmse001335 5 14 . 2 1.260396036446349 . . . . . . . . . . . bmse001335 5 15 . 1 32.115160375617506 . . . . . . . . . . . bmse001335 5 15 . 2 1.6894670275770207 . . . . . . . . . . . bmse001335 5 16 . 1 31.58530438408578 . . . . . . . . . . . bmse001335 5 16 . 2 1.8265313719659855 . . . . . . . . . . . bmse001335 5 17 . 1 31.555867940111796 . . . . . . . . . . . bmse001335 5 17 . 2 1.9308194600880237 . . . . . . . . . . . bmse001335 5 18 . 1 29.819117745646686 . . . . . . . . . . . bmse001335 5 18 . 2 2.3479718125761773 . . . . . . . . . . . bmse001335 5 19 . 1 26.610545352482333 . . . . . . . . . . . bmse001335 5 19 . 2 2.3926667074856223 . . . . . . . . . . . bmse001335 5 20 . 1 26.051252916976622 . . . . . . . . . . . bmse001335 5 20 . 2 1.3974603808353134 . . . . . . . . . . . bmse001335 5 21 . 1 26.080689360950608 . . . . . . . . . . . bmse001335 5 21 . 2 1.546443363866797 . . . . . . . . . . . bmse001335 5 22 . 1 23.431409403291966 . . . . . . . . . . . bmse001335 5 22 . 2 1.34084684728335 . . . . . . . . . . . bmse001335 5 23 . 1 23.431409403291966 . . . . . . . . . . . bmse001335 5 23 . 2 1.2752943347494972 . . . . . . . . . . . bmse001335 5 24 . 1 22.31282453228054 . . . . . . . . . . . bmse001335 5 24 . 2 1.0220232635959756 . . . . . . . . . . . bmse001335 5 25 . 1 15.861060403096984 . . . . . . . . . . . bmse001335 5 25 . 2 1.0219900672340247 . . . . . . . . . . . bmse001335 5 26 . 1 13.471946702212081 . . . . . . . . . . . bmse001335 5 26 . 2 0.8374640828723259 . . . . . . . . . . . bmse001335 5 27 . 1 11.149197270796206 . . . . . . . . . . . bmse001335 5 27 . 2 0.8138069053900567 . . . . . . . . . . . bmse001335 5 stop_ save_