######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34908 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY filtered' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #SPECTRUM N15NOESY H N HN 1 1.420 115.770 7.989 9 U 1.94e+10 0 e 0 966 540 537 2 0.965 116.737 8.400 9 U 2.57e+10 0 e 0 0 0 0 3 1.217 116.735 8.394 9 U 3.13e+10 0 e 0 0 0 0 4 3.775 120.842 8.560 9 U 3.76e+10 0 e 0 846 164 161 5 1.051 122.861 9.092 9 U 4.15e+10 0 e 0 0 0 0 6 7.471 125.768 7.937 9 U 3.47e+10 0 e 0 0 0 0 7 4.249 125.746 7.937 9 U 1.29e+11 0 e 0 0 0 0 8 4.035 125.839 8.189 9 U 5.92e+10 0 e 0 0 0 0 9 4.448 125.083 8.425 9 U 3.27e+11 0 e 0 0 0 0 10 4.296 125.068 8.422 9 U 1.04e+11 0 e 0 0 0 0 11 1.397 125.117 8.426 9 U 3.92e+10 0 e 0 0 0 0 12 1.205 111.576 8.568 9 U 2.34e+10 0 e 0 0 0 0 13 0.794 111.743 8.573 9 U 2.52e+10 0 e 0 0 0 0 14 0.869 114.397 8.432 9 U 3.16e+10 0 e 0 0 0 0 15 1.108 114.516 8.634 9 U 2.61e+10 0 e 0 0 0 0 16 4.172 115.821 7.993 9 U 5.7e+10 0 e 0 0 0 0 17 3.802 115.730 7.986 9 U 2.71e+10 0 e 0 0 0 0 18 0.991 115.844 7.994 9 U 3.99e+10 0 e 0 0 0 0 19 1.059 116.945 8.570 9 U 3.34e+10 0 e 0 0 0 0 20 0.889 117.022 7.136 9 U 3.28e+10 0 e 0 0 0 0 21 0.875 117.523 8.354 9 U 8.59e+10 0 e 0 0 0 0 22 1.443 117.699 7.471 9 U 2.76e+10 0 e 0 0 0 0 23 1.814 117.662 7.474 9 U 3.12e+10 0 e 0 0 0 0 24 0.877 119.366 8.079 9 U 6.55e+10 0 e 0 0 0 0 25 0.898 120.544 8.704 9 U 4.19e+10 0 e 0 0 0 0 26 1.411 120.603 8.702 9 U 2.44e+10 0 e 0 0 0 0 27 4.308 120.678 7.881 9 U 6.44e+10 0 e 0 0 0 0 28 4.160 120.808 8.554 9 U 3.38e+10 0 e 0 0 0 0 29 1.430 120.896 7.689 9 U 3.71e+10 0 e 0 0 0 0 30 4.225 120.969 7.687 9 U 2.68e+10 0 e 0 0 0 0 31 2.253 122.924 9.094 9 U 2.65e+10 0 e 0 0 0 0 32 0.940 123.675 9.222 9 U 4.22e+10 0 e 0 0 0 0 33 1.363 125.756 7.935 9 U 5.08e+10 0 e 0 0 0 0 34 1.816 125.749 7.933 9 U 3.42e+10 0 e 0 0 0 0 35 0.863 125.849 8.189 9 U 3.78e+10 0 e 0 0 0 0 ; 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 H 2 'not observed' 13.8449581942862 ppm . . . 4.69814811363009421765 . . 34908 1 2 . . N 15 N 1 'not observed' 20.9999895011844 ppm . . . 117.48619537204371776315 . . 34908 1 3 . . H 1 H . 'not observed' 13.8449581942862 ppm . . . 4.69814811363009421765 . . 34908 1 stop_ save_