######################### # 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 bmse001325 _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.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 . . . . . . bmse001325 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 . . bmse001325 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 . . . bmse001325 1 2 . . . bmse001325 1 3 . . . bmse001325 1 4 . . . bmse001325 1 5 . . . bmse001325 1 6 . . . bmse001325 1 7 . . . bmse001325 1 8 . . . bmse001325 1 9 . . . bmse001325 1 10 . . . bmse001325 1 11 . . . bmse001325 1 12 . . . bmse001325 1 13 . . . bmse001325 1 14 . . . bmse001325 1 15 . . . bmse001325 1 16 . . . bmse001325 1 17 . . . bmse001325 1 18 . . . bmse001325 1 19 . . . bmse001325 1 20 . . . bmse001325 1 21 . . . bmse001325 1 22 . . . bmse001325 1 23 . . . bmse001325 1 24 . . . bmse001325 1 25 . . . bmse001325 1 26 . . . bmse001325 1 27 . . . bmse001325 1 28 . . . bmse001325 1 29 . . . bmse001325 1 30 . . . bmse001325 1 31 . . . bmse001325 1 32 . . . bmse001325 1 33 . . . bmse001325 1 34 . . . bmse001325 1 35 . . . bmse001325 1 36 . . . bmse001325 1 37 . . . bmse001325 1 38 . . . bmse001325 1 39 . . . bmse001325 1 40 . . . bmse001325 1 41 . . . bmse001325 1 42 . . . bmse001325 1 43 . . . bmse001325 1 44 . . . bmse001325 1 45 . . . bmse001325 1 46 . . . bmse001325 1 47 . . . bmse001325 1 48 . . . bmse001325 1 49 . . . bmse001325 1 50 . . . bmse001325 1 51 . . . bmse001325 1 52 . . . bmse001325 1 53 . . . bmse001325 1 54 . . . bmse001325 1 55 . . . bmse001325 1 56 . . . bmse001325 1 57 . . . bmse001325 1 58 . . . bmse001325 1 59 . . . bmse001325 1 60 . . . bmse001325 1 61 . . . bmse001325 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 . 0.08580403 . 'relative height' bmse001325 1 2 . 0.237635 . 'relative height' bmse001325 1 3 . 0.4317148 . 'relative height' bmse001325 1 4 . 0.2041934 . 'relative height' bmse001325 1 5 . 0.1753795 . 'relative height' bmse001325 1 6 . 0.1527134 . 'relative height' bmse001325 1 7 . 0.2005988 . 'relative height' bmse001325 1 8 . 0.3089453 . 'relative height' bmse001325 1 9 . 0.364175 . 'relative height' bmse001325 1 10 . 0.2271603 . 'relative height' bmse001325 1 11 . 0.4781313 . 'relative height' bmse001325 1 12 . 0.6504054 . 'relative height' bmse001325 1 13 . 0.4575989 . 'relative height' bmse001325 1 14 . 0.2053489 . 'relative height' bmse001325 1 15 . 0.08890033 . 'relative height' bmse001325 1 16 . 0.1741454 . 'relative height' bmse001325 1 17 . 0.1779935 . 'relative height' bmse001325 1 18 . 0.1296863 . 'relative height' bmse001325 1 19 . 0.179309 . 'relative height' bmse001325 1 20 . 0.1831066 . 'relative height' bmse001325 1 21 . 0.3595528 . 'relative height' bmse001325 1 22 . 0.3517851 . 'relative height' bmse001325 1 23 . 0.2010288 . 'relative height' bmse001325 1 24 . 0.2262733 . 'relative height' bmse001325 1 25 . 0.2376427 . 'relative height' bmse001325 1 26 . 0.2094843 . 'relative height' bmse001325 1 27 . 0.1105449 . 'relative height' bmse001325 1 28 . 0.2719027 . 'relative height' bmse001325 1 29 . 0.2825945 . 'relative height' bmse001325 1 30 . 0.4787848 . 'relative height' bmse001325 1 31 . 0.2798976 . 'relative height' bmse001325 1 32 . 0.2103554 . 'relative height' bmse001325 1 33 . 0.2471518 . 'relative height' bmse001325 1 34 . 0.1944689 . 'relative height' bmse001325 1 35 . 0.3051755 . 'relative height' bmse001325 1 36 . 0.3805879 . 'relative height' bmse001325 1 37 . 0.3748372 . 'relative height' bmse001325 1 38 . 0.3555028 . 'relative height' bmse001325 1 39 . 0.1732606 . 'relative height' bmse001325 1 40 . 0.1626218 . 'relative height' bmse001325 1 41 . 0.2139744 . 'relative height' bmse001325 1 42 . 0.2495849 . 'relative height' bmse001325 1 43 . 0.2696811 . 'relative height' bmse001325 1 44 . 0.1637632 . 'relative height' bmse001325 1 45 . 0.2535525 . 'relative height' bmse001325 1 46 . 0.2156459 . 'relative height' bmse001325 1 47 . 0.1944039 . 'relative height' bmse001325 1 48 . 0.180328 . 'relative height' bmse001325 1 49 . 2.467042 . 'relative height' bmse001325 1 50 . 0.2240303 . 'relative height' bmse001325 1 51 . 0.20674 . 'relative height' bmse001325 1 52 . 0.2263459 . 'relative height' bmse001325 1 53 . 0.2105934 . 'relative height' bmse001325 1 54 . 2.641379 . 'relative height' bmse001325 1 55 . 2.676769 . 'relative height' bmse001325 1 56 . 4.438086 . 'relative height' bmse001325 1 57 . 0.2242142 . 'relative height' bmse001325 1 58 . 0.5534258 . 'relative height' bmse001325 1 59 . 0.4423326 . 'relative height' bmse001325 1 60 . 3.062284 . 'relative height' bmse001325 1 61 . 3.458657 . 'relative height' bmse001325 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 12.063387 . . . . . . . . . . . bmse001325 1 2 . 1 5.176094 . . . . . . . . . . . bmse001325 1 3 . 1 5.169232 . . . . . . . . . . . bmse001325 1 4 . 1 5.162231 . . . . . . . . . . . bmse001325 1 5 . 1 4.412666 . . . . . . . . . . . bmse001325 1 6 . 1 4.308623 . . . . . . . . . . . bmse001325 1 7 . 1 3.416124 . . . . . . . . . . . bmse001325 1 8 . 1 2.746542 . . . . . . . . . . . bmse001325 1 9 . 1 2.72328 . . . . . . . . . . . bmse001325 1 10 . 1 2.510524 . . . . . . . . . . . bmse001325 1 11 . 1 2.5069 . . . . . . . . . . . bmse001325 1 12 . 1 2.503286 . . . . . . . . . . . bmse001325 1 13 . 1 2.499624 . . . . . . . . . . . bmse001325 1 14 . 1 2.496053 . . . . . . . . . . . bmse001325 1 15 . 1 1.938801 . . . . . . . . . . . bmse001325 1 16 . 1 1.919416 . . . . . . . . . . . bmse001325 1 17 . 1 1.911706 . . . . . . . . . . . bmse001325 1 18 . 1 1.892404 . . . . . . . . . . . bmse001325 1 19 . 1 1.849962 . . . . . . . . . . . bmse001325 1 20 . 1 1.843505 . . . . . . . . . . . bmse001325 1 21 . 1 1.828175 . . . . . . . . . . . bmse001325 1 22 . 1 1.822302 . . . . . . . . . . . bmse001325 1 23 . 1 1.761308 . . . . . . . . . . . bmse001325 1 24 . 1 1.752521 . . . . . . . . . . . bmse001325 1 25 . 1 1.736292 . . . . . . . . . . . bmse001325 1 26 . 1 1.727609 . . . . . . . . . . . bmse001325 1 27 . 1 1.668847 . . . . . . . . . . . bmse001325 1 28 . 1 1.64045 . . . . . . . . . . . bmse001325 1 29 . 1 1.634461 . . . . . . . . . . . bmse001325 1 30 . 1 1.606789 . . . . . . . . . . . bmse001325 1 31 . 1 1.57934 . . . . . . . . . . . bmse001325 1 32 . 1 1.542079 . . . . . . . . . . . bmse001325 1 33 . 1 1.527511 . . . . . . . . . . . bmse001325 1 34 . 1 1.506578 . . . . . . . . . . . bmse001325 1 35 . 1 1.484818 . . . . . . . . . . . bmse001325 1 36 . 1 1.453581 . . . . . . . . . . . bmse001325 1 37 . 1 1.446679 . . . . . . . . . . . bmse001325 1 38 . 1 1.418477 . . . . . . . . . . . bmse001325 1 39 . 1 1.392446 . . . . . . . . . . . bmse001325 1 40 . 1 1.35436 . . . . . . . . . . . bmse001325 1 41 . 1 1.334074 . . . . . . . . . . . bmse001325 1 42 . 1 1.326826 . . . . . . . . . . . bmse001325 1 43 . 1 1.317919 . . . . . . . . . . . bmse001325 1 44 . 1 1.298568 . . . . . . . . . . . bmse001325 1 45 . 1 1.247454 . . . . . . . . . . . bmse001325 1 46 . 1 1.223555 . . . . . . . . . . . bmse001325 1 47 . 1 1.145677 . . . . . . . . . . . bmse001325 1 48 . 1 1.118497 . . . . . . . . . . . bmse001325 1 49 . 1 1.094249 . . . . . . . . . . . bmse001325 1 50 . 1 1.063468 . . . . . . . . . . . bmse001325 1 51 . 1 1.041879 . . . . . . . . . . . bmse001325 1 52 . 1 1.002055 . . . . . . . . . . . bmse001325 1 53 . 1 0.975071 . . . . . . . . . . . bmse001325 1 54 . 1 0.91948 . . . . . . . . . . . bmse001325 1 55 . 1 0.900421 . . . . . . . . . . . bmse001325 1 56 . 1 0.876013 . . . . . . . . . . . bmse001325 1 57 . 1 0.79219 . . . . . . . . . . . bmse001325 1 58 . 1 0.768143 . . . . . . . . . . . bmse001325 1 59 . 1 0.744793 . . . . . . . . . . . bmse001325 1 60 . 1 0.706245 . . . . . . . . . . . bmse001325 1 61 . 1 0.700867 . . . . . . . . . . . bmse001325 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 bmse001325 _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.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 . . . . . . bmse001325 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 . . bmse001325 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 . . . bmse001325 2 2 . . . bmse001325 2 3 . . . bmse001325 2 4 . . . bmse001325 2 5 . . . bmse001325 2 6 . . . bmse001325 2 7 . . . bmse001325 2 8 . . . bmse001325 2 9 . . . bmse001325 2 10 . . . bmse001325 2 11 . . . bmse001325 2 12 . . . bmse001325 2 13 . . . bmse001325 2 14 . . . bmse001325 2 15 . . . bmse001325 2 16 . . . bmse001325 2 17 . . . bmse001325 2 18 . . . bmse001325 2 19 . . . bmse001325 2 20 . . . bmse001325 2 21 . . . bmse001325 2 22 . . . bmse001325 2 23 . . . bmse001325 2 24 . . . bmse001325 2 25 . . . bmse001325 2 26 . . . bmse001325 2 27 . . . bmse001325 2 28 . . . bmse001325 2 29 . . . bmse001325 2 30 . . . bmse001325 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 . 0.1630144 . 'relative height' bmse001325 2 2 . 0.1501473 . 'relative height' bmse001325 2 3 . 0.1628885 . 'relative height' bmse001325 2 4 . 0.2042995 . 'relative height' bmse001325 2 5 . 0.1947701 . 'relative height' bmse001325 2 6 . 0.2141322 . 'relative height' bmse001325 2 7 . 0.2011445 . 'relative height' bmse001325 2 8 . 0.1495193 . 'relative height' bmse001325 2 9 . 0.1459186 . 'relative height' bmse001325 2 10 . 0.2597425 . 'relative height' bmse001325 2 11 . 0.2576332 . 'relative height' bmse001325 2 12 . 0.2001166 . 'relative height' bmse001325 2 13 . 0.1161098 . 'relative height' bmse001325 2 14 . 0.3643186 . 'relative height' bmse001325 2 15 . 0.3307414 . 'relative height' bmse001325 2 16 . 0.1363665 . 'relative height' bmse001325 2 17 . 0.2378647 . 'relative height' bmse001325 2 18 . 0.1449066 . 'relative height' bmse001325 2 19 . 0.1458965 . 'relative height' bmse001325 2 20 . 0.2842108 . 'relative height' bmse001325 2 21 . 0.2915753 . 'relative height' bmse001325 2 22 . 0.1451066 . 'relative height' bmse001325 2 23 . 0.309175 . 'relative height' bmse001325 2 24 . 0.3126952 . 'relative height' bmse001325 2 25 . 0.1507721 . 'relative height' bmse001325 2 26 . 0.1425848 . 'relative height' bmse001325 2 27 . 0.1482945 . 'relative height' bmse001325 2 28 . 0.3174868 . 'relative height' bmse001325 2 29 . 0.2902157 . 'relative height' bmse001325 2 30 . 0.336836 . 'relative height' bmse001325 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 . 1 178.626465 . . . . . . . . . . . bmse001325 2 2 . 1 143.917969 . . . . . . . . . . . bmse001325 2 3 . 1 121.443863 . . . . . . . . . . . bmse001325 2 4 . 1 82.203178 . . . . . . . . . . . bmse001325 2 5 . 1 67.118332 . . . . . . . . . . . bmse001325 2 6 . 1 54.737144 . . . . . . . . . . . bmse001325 2 7 . 1 47.060143 . . . . . . . . . . . bmse001325 2 8 . 1 46.845505 . . . . . . . . . . . bmse001325 2 9 . 1 45.665451 . . . . . . . . . . . bmse001325 2 10 . 1 45.438362 . . . . . . . . . . . bmse001325 2 11 . 1 41.341358 . . . . . . . . . . . bmse001325 2 12 . 1 40.770908 . . . . . . . . . . . bmse001325 2 13 . 1 40.086994 . . . . . . . . . . . bmse001325 2 14 . 1 38.899708 . . . . . . . . . . . bmse001325 2 15 . 1 37.657455 . . . . . . . . . . . bmse001325 2 16 . 1 33.301559 . . . . . . . . . . . bmse001325 2 17 . 1 32.852901 . . . . . . . . . . . bmse001325 2 18 . 1 32.301331 . . . . . . . . . . . bmse001325 2 19 . 1 32.092579 . . . . . . . . . . . bmse001325 2 20 . 1 30.436655 . . . . . . . . . . . bmse001325 2 21 . 1 28.811039 . . . . . . . . . . . bmse001325 2 22 . 1 27.159147 . . . . . . . . . . . bmse001325 2 23 . 1 25.654284 . . . . . . . . . . . bmse001325 2 24 . 1 23.383926 . . . . . . . . . . . bmse001325 2 25 . 1 22.999689 . . . . . . . . . . . bmse001325 2 26 . 1 22.574163 . . . . . . . . . . . bmse001325 2 27 . 1 18.064392 . . . . . . . . . . . bmse001325 2 28 . 1 17.156757 . . . . . . . . . . . bmse001325 2 29 . 1 16.873564 . . . . . . . . . . . bmse001325 2 30 . 1 16.33588 . . . . . . . . . . . bmse001325 2 stop_ loop_ _Assigned_spectral_transition.Spectral_transition_ID _Assigned_spectral_transition.Spectral_dim_ID _Assigned_spectral_transition.Contribution_fractional_val _Assigned_spectral_transition.Peak_ID _Assigned_spectral_transition.Set_ID _Assigned_spectral_transition.Magnetization_linkage_ID _Assigned_spectral_transition.Assembly_atom_ID _Assigned_spectral_transition.Val _Assigned_spectral_transition.Assigned_chem_shift_list_ID _Assigned_spectral_transition.Atom_chem_shift_ID _Assigned_spectral_transition.Entity_assembly_ID _Assigned_spectral_transition.Entity_ID _Assigned_spectral_transition.Comp_index_ID _Assigned_spectral_transition.Comp_ID _Assigned_spectral_transition.Atom_ID _Assigned_spectral_transition.Figure_of_merit _Assigned_spectral_transition.Resonance_ID _Assigned_spectral_transition.Details _Assigned_spectral_transition.Entry_ID _Assigned_spectral_transition.Spectral_peak_list_ID 1 1 . . . . 24 178.626465 1 . 1 1 1 BMET001325 C24 . . . bmse001325 2 2 1 . . . . 18 143.917969 1 . 1 1 1 BMET001325 C18 . . . bmse001325 2 3 1 . . . . 8 121.443863 1 . 1 1 1 BMET001325 C8 . . . bmse001325 2 4 1 . . . . 23 82.203178 1 . 1 1 1 BMET001325 C23 . . . bmse001325 2 5 1 . . . . 20 67.118332 1 . 1 1 1 BMET001325 C20 . . . bmse001325 2 6 1 . . . . 21 54.737144 1 . 1 1 1 BMET001325 C21 . . . bmse001325 2 7 1 . . . . 30 47.060143 1 . 1 1 1 BMET001325 C30 . . . bmse001325 2 8 1 . . . . 22 46.845505 1 . 1 1 1 BMET001325 C22 . . . bmse001325 2 9 1 . . . . 17 45.665451 1 . 1 1 1 BMET001325 C17 . . . bmse001325 2 10 1 . . . . 16 45.438362 1 . 1 1 1 BMET001325 C16 . . . bmse001325 2 12 1 . . . . 19 40.770908 1 . 1 1 1 BMET001325 C19 . . . bmse001325 2 14 1 . . . . 26 38.899708 1 . 1 1 1 BMET001325 C26 . . . bmse001325 2 15 1 . . . . 27 37.657455 1 . 1 1 1 BMET001325 C27 . . . bmse001325 2 17 1 . . . . 5 32.852901 1 . 1 1 1 BMET001325 C5 . . . bmse001325 2 20 1 . . . . 25 30.436655 1 . 1 1 1 BMET001325 C25 . . . bmse001325 2 21 1 . . . . 3 28.811039 1 . 1 1 1 BMET001325 C3 . . . bmse001325 2 24 1 . . . . 1 23.383926 1 . 1 1 1 BMET001325 C1 . . . bmse001325 2 25 1 . . . . 9 22.999689 1 . 1 1 1 BMET001325 C9 . . . bmse001325 2 28 1 . . . . 4 17.156757 1 . 1 1 1 BMET001325 C4 . . . bmse001325 2 30 1 . . . . 2 16.33588 1 . 1 1 1 BMET001325 C2 . . . bmse001325 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 bmse001325 _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.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 . . . . . . bmse001325 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 . . bmse001325 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 . . . bmse001325 3 2 . . . bmse001325 3 3 . . . bmse001325 3 4 . . . bmse001325 3 5 . . . bmse001325 3 6 . . . bmse001325 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 . 12.61586 . 'relative height' bmse001325 3 2 . 15.0 . 'relative height' bmse001325 3 3 . 13.31526 . 'relative height' bmse001325 3 4 . 13.11685 . 'relative height' bmse001325 3 5 . 13.16192 . 'relative height' bmse001325 3 6 . 12.99243 . 'relative height' bmse001325 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 . 1 121.167671 . . . . . . . . . . . bmse001325 3 2 . 1 81.926369 . . . . . . . . . . . bmse001325 3 3 . 1 66.841194 . . . . . . . . . . . bmse001325 3 4 . 1 54.459728 . . . . . . . . . . . bmse001325 3 5 . 1 46.78405 . . . . . . . . . . . bmse001325 3 6 . 1 40.49514 . . . . . . . . . . . bmse001325 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 bmse001325 _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.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 . . . . . . bmse001325 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 . . bmse001325 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 . . . bmse001325 4 2 . . . bmse001325 4 3 . . . bmse001325 4 4 . . . bmse001325 4 5 . . . bmse001325 4 6 . . . bmse001325 4 7 . . . bmse001325 4 8 . . . bmse001325 4 9 . . . bmse001325 4 10 . . . bmse001325 4 11 . . . bmse001325 4 12 . . . bmse001325 4 13 . . . bmse001325 4 14 . . . bmse001325 4 15 . . . bmse001325 4 16 . . . bmse001325 4 17 . . . bmse001325 4 18 . . . bmse001325 4 19 . . . bmse001325 4 20 . . . bmse001325 4 21 . . . bmse001325 4 22 . . . bmse001325 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 . 4.887218 . 'relative height' bmse001325 4 2 . 6.445527 . 'relative height' bmse001325 4 3 . 4.949816 . 'relative height' bmse001325 4 4 . 5.505674 . 'relative height' bmse001325 4 5 . 5.496315 . 'relative height' bmse001325 4 6 . -4.483298 . 'relative height' bmse001325 4 7 . -3.947326 . 'relative height' bmse001325 4 8 . 4.929397 . 'relative height' bmse001325 4 9 . -3.784585 . 'relative height' bmse001325 4 10 . 6.87361 . 'relative height' bmse001325 4 11 . -3.462434 . 'relative height' bmse001325 4 12 . -4.101716 . 'relative height' bmse001325 4 13 . 8.383872 . 'relative height' bmse001325 4 14 . -4.514937 . 'relative height' bmse001325 4 15 . 13.74659 . 'relative height' bmse001325 4 16 . 8.701111 . 'relative height' bmse001325 4 17 . -4.977107 . 'relative height' bmse001325 4 18 . -4.114199 . 'relative height' bmse001325 4 19 . -3.703924 . 'relative height' bmse001325 4 20 . 15.0 . 'relative height' bmse001325 4 21 . 8.563065 . 'relative height' bmse001325 4 22 . 13.78772 . 'relative height' bmse001325 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 . 1 121.185692 . . . . . . . . . . . bmse001325 4 2 . 1 81.945114 . . . . . . . . . . . bmse001325 4 3 . 1 66.859276 . . . . . . . . . . . bmse001325 4 4 . 1 54.477867 . . . . . . . . . . . bmse001325 4 5 . 1 46.802628 . . . . . . . . . . . bmse001325 4 6 . 1 46.586624 . . . . . . . . . . . bmse001325 4 7 . 1 45.407719 . . . . . . . . . . . bmse001325 4 8 . 1 40.513985 . . . . . . . . . . . bmse001325 4 9 . 1 33.043415 . . . . . . . . . . . bmse001325 4 10 . 1 32.594639 . . . . . . . . . . . bmse001325 4 11 . 1 32.043663 . . . . . . . . . . . bmse001325 4 12 . 1 31.834871 . . . . . . . . . . . bmse001325 4 13 . 1 28.554029 . . . . . . . . . . . bmse001325 4 14 . 1 26.901026 . . . . . . . . . . . bmse001325 4 15 . 1 25.397818 . . . . . . . . . . . bmse001325 4 16 . 1 23.124296 . . . . . . . . . . . bmse001325 4 17 . 1 22.740839 . . . . . . . . . . . bmse001325 4 18 . 1 22.315451 . . . . . . . . . . . bmse001325 4 19 . 1 17.805273 . . . . . . . . . . . bmse001325 4 20 . 1 16.899675 . . . . . . . . . . . bmse001325 4 21 . 1 16.614454 . . . . . . . . . . . bmse001325 4 22 . 1 16.076221 . . . . . . . . . . . bmse001325 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 bmse001325 _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.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 . . . . . . bmse001325 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001325 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 . . bmse001325 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 . . . bmse001325 5 2 . . . bmse001325 5 3 . . . bmse001325 5 4 . . . bmse001325 5 5 . . . bmse001325 5 6 . . . bmse001325 5 7 . . . bmse001325 5 8 . . . bmse001325 5 9 . . . bmse001325 5 10 . . . bmse001325 5 11 . . . bmse001325 5 12 . . . bmse001325 5 13 . . . bmse001325 5 14 . . . bmse001325 5 15 . . . bmse001325 5 16 . . . bmse001325 5 17 . . . bmse001325 5 18 . . . bmse001325 5 19 . . . bmse001325 5 20 . . . bmse001325 5 21 . . . bmse001325 5 22 . . . bmse001325 5 23 . . . bmse001325 5 24 . . . bmse001325 5 25 . . . bmse001325 5 26 . . . bmse001325 5 27 . . . bmse001325 5 28 . . . bmse001325 5 29 . . . bmse001325 5 30 . . . bmse001325 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 . 130964.0 . 'relative height' bmse001325 5 2 . 84729.111328125 . 'relative height' bmse001325 5 3 . 73177.59375 . 'relative height' bmse001325 5 4 . 85385.546875 . 'relative height' bmse001325 5 5 . 89181.728515625 . 'relative height' bmse001325 5 6 . 66152.951171875 . 'relative height' bmse001325 5 7 . 74565.53515625 . 'relative height' bmse001325 5 8 . 70893.18359375 . 'relative height' bmse001325 5 9 . 54832.591796875 . 'relative height' bmse001325 5 10 . 77799.69921875 . 'relative height' bmse001325 5 11 . 70331.13671875 . 'relative height' bmse001325 5 12 . 54297.390625 . 'relative height' bmse001325 5 13 . 343252.3046875 . 'relative height' bmse001325 5 14 . 56315.009765625 . 'relative height' bmse001325 5 15 . 99124.9140625 . 'relative height' bmse001325 5 16 . 13723.759765625 . 'relative height' bmse001325 5 17 . 72354.798828125 . 'relative height' bmse001325 5 18 . 360978.6953125 . 'relative height' bmse001325 5 19 . 55042.974609375 . 'relative height' bmse001325 5 20 . 48033.673828125 . 'relative height' bmse001325 5 21 . 340091.787109375 . 'relative height' bmse001325 5 22 . 284736.646484375 . 'relative height' bmse001325 5 23 . 126584.494140625 . 'relative height' bmse001325 5 24 . 55225.794921875 . 'relative height' bmse001325 5 25 . 46900.787109375 . 'relative height' bmse001325 5 26 . 27307.01171875 . 'relative height' bmse001325 5 27 . 49723.66796875 . 'relative height' bmse001325 5 28 . 315417.6484375 . 'relative height' bmse001325 5 29 . 373819.19140625 . 'relative height' bmse001325 5 30 . 304549.9375 . 'relative height' bmse001325 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 . 1 121.20881556463037 . . . . . . . . . . . bmse001325 5 1 . 2 5.1655734217501825 . . . . . . . . . . . bmse001325 5 2 . 1 81.92971244576506 . . . . . . . . . . . bmse001325 5 2 . 2 2.732470940709898 . . . . . . . . . . . bmse001325 5 3 . 1 66.99020946757466 . . . . . . . . . . . bmse001325 5 3 . 2 3.409911797201687 . . . . . . . . . . . bmse001325 5 4 . 1 54.43489979105562 . . . . . . . . . . . bmse001325 5 4 . 2 0.7491801969926669 . . . . . . . . . . . bmse001325 5 5 . 1 46.8445241537519 . . . . . . . . . . . bmse001325 5 5 . 2 1.5233330672184227 . . . . . . . . . . . bmse001325 5 6 . 1 46.62127781147826 . . . . . . . . . . . bmse001325 5 6 . 2 0.7591692662859025 . . . . . . . . . . . bmse001325 5 7 . 1 46.62127781147826 . . . . . . . . . . . bmse001325 5 7 . 2 1.7380980570229874 . . . . . . . . . . . bmse001325 5 8 . 1 45.467838376397786 . . . . . . . . . . . bmse001325 5 8 . 2 1.0488522757897336 . . . . . . . . . . . bmse001325 5 9 . 1 45.430630652685515 . . . . . . . . . . . bmse001325 5 9 . 2 1.6032456215643072 . . . . . . . . . . . bmse001325 5 10 . 1 40.52596371997926 . . . . . . . . . . . bmse001325 5 10 . 2 2.728976657418496 . . . . . . . . . . . bmse001325 5 11 . 1 33.078452545386654 . . . . . . . . . . . bmse001325 5 11 . 2 1.1292713946798438 . . . . . . . . . . . bmse001325 5 12 . 1 33.088494577124784 . . . . . . . . . . . bmse001325 5 12 . 2 1.3153920504696701 . . . . . . . . . . . bmse001325 5 13 . 1 32.56630892674224 . . . . . . . . . . . bmse001325 5 13 . 2 0.8741397092151384 . . . . . . . . . . . bmse001325 5 14 . 1 31.843282641597174 . . . . . . . . . . . bmse001325 5 14 . 2 1.5956186558161498 . . . . . . . . . . . bmse001325 5 15 . 1 31.863366705073425 . . . . . . . . . . . bmse001325 5 15 . 2 1.4199542166437296 . . . . . . . . . . . bmse001325 5 16 . 1 32.04412327635969 . . . . . . . . . . . bmse001325 5 16 . 2 1.3342132403810008 . . . . . . . . . . . bmse001325 5 17 . 1 32.054165308097815 . . . . . . . . . . . bmse001325 5 17 . 2 1.229651074206941 . . . . . . . . . . . bmse001325 5 18 . 1 28.508005837887612 . . . . . . . . . . . bmse001325 5 18 . 2 0.9141918661125399 . . . . . . . . . . . bmse001325 5 19 . 1 26.902347698240384 . . . . . . . . . . . bmse001325 5 19 . 2 0.9814568194719909 . . . . . . . . . . . bmse001325 5 20 . 1 26.9326431348375 . . . . . . . . . . . bmse001325 5 20 . 2 1.6296463700267014 . . . . . . . . . . . bmse001325 5 21 . 1 25.387575868384506 . . . . . . . . . . . bmse001325 5 21 . 2 1.0884692452711178 . . . . . . . . . . . bmse001325 5 22 . 1 23.176008996794927 . . . . . . . . . . . bmse001325 5 22 . 2 0.8683293979129141 . . . . . . . . . . . bmse001325 5 23 . 1 22.782168321032398 . . . . . . . . . . . bmse001325 5 23 . 2 1.8130962428252044 . . . . . . . . . . . bmse001325 5 24 . 1 22.327736772075635 . . . . . . . . . . . bmse001325 5 24 . 2 1.4645414845080487 . . . . . . . . . . . bmse001325 5 25 . 1 22.388327645269868 . . . . . . . . . . . bmse001325 5 25 . 2 1.907878677104431 . . . . . . . . . . . bmse001325 5 26 . 1 17.81371671910512 . . . . . . . . . . . bmse001325 5 26 . 2 1.3238965820291966 . . . . . . . . . . . bmse001325 5 27 . 1 17.844012155702238 . . . . . . . . . . . bmse001325 5 27 . 2 1.4523114929881487 . . . . . . . . . . . bmse001325 5 28 . 1 16.783671874803122 . . . . . . . . . . . bmse001325 5 28 . 2 0.7032245123942614 . . . . . . . . . . . bmse001325 5 29 . 1 16.874558184594473 . . . . . . . . . . . bmse001325 5 29 . 2 0.6848795251144111 . . . . . . . . . . . bmse001325 5 30 . 1 16.147467706263654 . . . . . . . . . . . bmse001325 5 30 . 2 0.8897318830727394 . . . . . . . . . . . bmse001325 5 stop_ save_