######################### # 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 34653 _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_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _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 $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # Number of peaks 87 1 60.288 4.138 1 U 1.02E+06 0 e 0 91 94 0 2 19.413 1.065 1 U 3.72E+06 0 e 0 93 96 0 3 57.762 4.244 1 U 6.15E+05 0 e 0 66 68 0 4 62.375 3.783 1 U -1.49E+06 0 e 0 67 69 0 5 62.348 3.696 1 U -3.19E+06 0 e 0 67 70 0 6 62.346 4.271 1 U 3.87E+06 0 e 0 82 86 0 7 49.125 3.582 1 U -1.08E+06 0 e 0 45 50 0 8 48.892 3.492 1 U -1.50E+06 0 e 0 84 89 0 9 29.999 2.141 1 U -1.73E+06 0 e 0 83 87 0 10 30.039 1.812 1 U -1.06E+06 0 e 0 83 88 0 11 55.087 4.159 1 U 8.55E+06 0 e 0 52 56 0 12 40.389 1.557 1 U -1.35E+06 0 e 0 53 57 0 13 22.437 0.85 1 U 2.99E+06 0 e 0 54 58 0 14 21.001 0.774 1 U 2.73E+06 0 e 0 55 59 0 15 55.769 4.166 1 U 1.83E+05 0 e 0 60 63 0 16 32.463 2.318 1 U -7.18E+05 0 e 0 62 63 0 17 27.687 2.008 1 U 8.40E+05 0 e 0 61 64 0 18 61.659 3.987 1 U 1.38E+06 0 e 0 102 105 0 19 31.073 2.018 1 U 1.19E+06 0 e 0 103 106 0 20 18.377 0.867 1 U 4.86E+06 0 e 0 104 107 0 21 18.785 0.861 1 U 8.70E+06 0 e 0 5 8 0 22 31.509 1.994 1 U 1.20E+06 0 e 0 4 7 0 23 61.44 4.068 1 U 1.14E+06 0 e 0 3 6 0 24 43.661 3.861 1 U -1.47E+07 0 e 0 100 101 0 25 37.184 2.893 1 U -1.97E+07 0 e 0 111 112 0 26 32.278 2.247 1 U -3.24E+06 0 e 0 78 81 0 27 27.939 1.967 1 U -2.39E+06 0 e 0 77 79 0 28 27.887 1.75 1 U -2.51E+06 0 e 0 77 80 0 29 53.784 4.244 1 U 1.30E+06 0 e 0 113 116 0 30 31.953 2.217 1 U -3.67E+06 0 e 0 115 117 0 31 27.868 2.068 1 U -2.88E+06 0 e 0 114 117 0 32 28.015 1.881 1 U -1.53E+06 0 e 0 114 118 0 33 43.755 3.708 1 U -1.07E+06 0 e 0 108 110 0 34 37.183 2.968 1 U 4.09E+07 0 e 0 37 38 0 35 37.272 2.817 1 U -2.56E+07 0 e 0 37 39 0 36 37.774 2.971 1 U -7.82E+06 0 e 0 71 72 0 37 25.508 1.904 1 U -1.45E+06 0 e 0 85 90 0 38 51.93 4.533 1 U 1.47E+06 0 e 0 27 29 0 39 37.1 2.618 1 U -1.93E+06 0 e 0 28 30 0 40 29.929 1.765 1 U -4.14E+05 0 e 0 44 49 0 41 25.737 1.83 1 U -3.61E+06 0 e 0 46 51 0 42 62.952 4.246 1 U 5.53E+05 0 e 0 43 47 0 43 41.776 3.772 1 U -6.92E+05 0 e 0 73 74 0 44 56.487 4.532 1 U 1.36E+06 0 e 0 23 25 0 45 43.705 3.81 1 U 2.99E+06 0 e 0 21 22 0 46 38.083 2.991 1 U 7.77E+05 0 e 0 75 76 0 47 38.136 3.022 1 U -1.38E+06 0 e 0 24 26 0 48 37.213 2.76 1 U -6.99E+04 0 e 0 41 42 0 49 26.174 2.743 1 U -6.75E+05 0 e 0 32 34 0 50 26.085 2.639 1 U -8.25E+05 0 e 0 32 35 0 51 30.081 2.207 1 U -6.47E+05 0 e 0 44 48 0 52 31.54 1.772 1 U -1.15E+06 0 e 0 10 15 0 53 31.498 1.692 1 U -1.24E+06 0 e 0 10 16 0 54 27.586 1.627 1 U -2.15E+06 0 e 0 11 19 0 55 23.222 1.402 1 U -6.38E+05 0 e 0 13 17 0 56 23.177 1.355 1 U -1.19E+06 0 e 0 13 18 0 57 40.683 2.918 1 U -1.58E+06 0 e 0 12 20 0 58 55.135 4.27 1 U 9.81E+06 0 e 0 9 14 0 59 37.161 2.959 1 U -5.96E+07 0 e 0 97 98 0 60 37.159 2.919 1 U 3.37E+07 0 e 0 97 99 0 61 41.955 3.839 1 U -1.40E+06 0 e 0 1 2 0 62 43.664 3.908 1 U -7.18E+05 0 e 0 108 109 0 63 68.24 4.128 1 U 9.16E+05 0 e 0 92 95 0 64 57.066 4.301 1 U 6.70E+05 0 e 0 31 33 0 65 56.481 4.577 1 U 5.12E+05 0 e 0 36 40 0 66 4.074 8.055 1 U 2.00E+07 0 e 0 6 8 0 67 4.253 7.968 1 U -2.11E+07 0 e 0 15 20 0 68 3.768 7.931 1 U 2.40E+08 0 e 0 25 24 0 69 4.504 7.666 1 U 3.22E+08 0 e 0 28 29 0 70 4.51 7.963 1 U -2.49E+07 0 e 0 35 36 0 71 4.302 7.668 1 U 1.45E+08 0 e 0 40 43 0 72 4.499 7.757 1 U 3.40E+07 0 e 0 46 49 0 73 4.58 8.017 1 U 1.69E+06 0 e 0 53 54 0 74 4.136 6.779 1 U 2.73E+07 0 e 0 71 72 0 75 4.154 7.976 1 U -1.00E+08 0 e 0 79 80 0 76 4.225 7.818 1 U -1.73E+09 0 e 0 85 88 0 77 4.4 7.668 1 U 7.73E+06 0 e 0 90 91 0 78 3.723 7.767 1 U 2.83E+08 0 e 0 96 97 0 79 4.421 7.498 1 U 1.88E+08 0 e 0 99 100 0 80 4.467 7.483 1 U 1.88E+08 0 e 0 106 109 0 81 4.164 7.422 1 U 7.68E+07 0 e 0 124 126 0 82 4.39 7.597 1 U -5.00E+08 0 e 0 129 132 0 83 3.863 7.776 1 U 2.24E+08 0 e 0 137 136 0 84 3.959 7.473 1 U 7.06E+07 0 e 0 141 143 0 85 3.909 7.929 1 U -3.67E+07 0 e 0 146 148 0 86 4.508 7.514 1 U 1.52E+08 0 e 0 150 151 0 87 4.248 7.709 1 U 1.45E+08 0 e 0 158 161 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 . . 14 ppm . . . 4.76 . . 34653 1 2 . . H 1 H . . 14 ppm . . . 4.76 . . 34653 1 stop_ save_