######################### # 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 34652 _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 84 1 60.236 4.106 1 U 2.52E+06 0 e 0 86 89 0 2 19.275 1.034 1 U 8.68E+06 0 e 0 88 91 0 3 57.583 4.207 1 U 1.59E+06 0 e 0 61 63 0 4 62.17 3.748 1 U -3.19E+06 0 e 0 62 64 0 5 62.123 3.649 1 U -2.39E+06 0 e 0 62 65 0 6 62.304 4.22 1 U 2.02E+06 0 e 0 77 81 0 7 48.786 3.464 1 U -3.56E+06 0 e 0 79 84 0 8 29.851 2.105 1 U -2.46E+06 0 e 0 78 82 0 9 29.842 1.782 1 U -1.29E+06 0 e 0 78 83 0 10 54.882 4.107 1 U 2.47E+06 0 e 0 47 51 0 11 40.226 1.529 1 U -3.75E+06 0 e 0 48 52 0 12 22.311 0.82 1 U 7.98E+06 0 e 0 49 53 0 13 20.803 0.744 1 U 7.50E+06 0 e 0 50 54 0 14 55.628 4.126 1 U 1.66E+06 0 e 0 55 58 0 15 32.268 2.271 1 U -5.00E+06 0 e 0 57 60 0 16 27.221 1.993 1 U -3.69E+07 0 e 0 56 59 0 17 54.457 4.306 1 U 2.25E+06 0 e 0 9 12 0 18 30.859 2.36 1 U -4.78E+06 0 e 0 11 15 0 19 27.385 2.016 1 U -7.26E+05 0 e 0 10 13 0 20 27.321 1.896 1 U -9.06E+06 0 e 0 10 14 0 21 61.553 3.957 1 U 2.74E+06 0 e 0 97 100 0 22 31.075 1.986 1 U 2.96E+06 0 e 0 98 101 0 23 18.419 0.834 1 U 2.62E+07 0 e 0 99 102 0 24 18.775 0.824 1 U 6.65E+06 0 e 0 5 8 0 25 30.827 1.991 1 U 4.26E+06 0 e 0 4 7 0 26 61.396 4.026 1 U 2.98E+06 0 e 0 3 6 0 27 43.56 3.873 1 U -3.84E+06 0 e 0 95 96 0 28 37.386 2.884 1 U 1.11E+05 0 e 0 106 107 0 29 31.663 2.189 1 U -6.46E+06 0 e 0 73 76 0 30 27.766 1.947 1 U -2.73E+07 0 e 0 72 74 0 31 27.895 1.722 1 U -3.26E+06 0 e 0 72 75 0 32 53.303 4.235 1 U 3.10E+06 0 e 0 108 111 0 33 32.019 2.19 1 U -4.99E+06 0 e 0 110 114 0 34 27.623 2.038 1 U -1.38E+06 0 e 0 109 112 0 35 27.64 1.852 1 U 5.64E+04 0 e 0 109 113 0 36 43.64 3.872 1 U -3.30E+03 0 e 0 103 104 0 37 37.193 2.863 1 U -3.98E+06 0 e 0 32 34 0 38 37.051 2.788 1 U -6.79E+07 0 e 0 32 35 0 39 37.281 2.927 1 U -9.07E+06 0 e 0 66 67 0 40 25.417 1.876 1 U -5.21E+06 0 e 0 80 85 0 41 37.004 2.605 1 U -3.91E+06 0 e 0 23 25 0 42 48.86 3.561 1 U -2.88E+06 0 e 0 40 128 0 43 29.777 1.738 1 U -4.74E+06 0 e 0 39 44 0 44 25.529 1.816 1 U -2.72E+06 0 e 0 41 46 0 45 63.018 4.2 1 U 1.01E+06 0 e 0 38 42 0 46 41.732 3.738 1 U -3.46E+06 0 e 0 68 69 0 47 43.575 3.779 1 U -1.39E+07 0 e 0 16 17 0 48 37.832 2.957 1 U -5.25E+06 0 e 0 70 71 0 49 37.256 2.998 1 U -1.21E+07 0 e 0 19 21 0 50 36.944 2.658 1 U -8.77E+05 0 e 0 36 37 0 51 26.049 2.738 1 U -4.40E+06 0 e 0 27 29 0 52 25.999 2.62 1 U -1.87E+06 0 e 0 27 30 0 53 29.83 2.168 1 U -2.13E+06 0 e 0 39 43 0 54 68.095 4.1 1 U 1.41E+06 0 e 0 87 90 0 55 36.996 2.875 1 U -1.26E+07 0 e 0 92 94 0 56 37.016 2.95 1 U 8.77E+06 0 e 0 92 93 0 57 51.789 4.504 1 U 4.06E+06 0 e 0 22 24 0 58 43.554 3.683 1 U -4.44E+06 0 e 0 103 105 0 59 41.873 3.834 1 U -3.50E+06 0 e 0 1 2 0 60 57 4.263 1 U 1.39E+06 0 e 0 26 28 0 61 56.549 4.453 1 U 8.14E+06 0 e 0 18 20 0 62 56.422 4.493 1 U 1.46E+06 0 e 0 31 33 0 63 4.295 8.074 1 U 4.93E+07 0 e 0 12 116 0 64 4.022 8.061 1 U -2.66E+05 0 e 0 6 115 0 65 3.776 7.928 1 U 2.27E+08 0 e 0 17 117 0 66 4.441 7.607 1 U 7.81E+08 0 e 0 20 118 0 67 4.499 7.89 1 U 5.06E+07 0 e 0 24 121 0 68 4.259 7.64 1 U -4.31E+08 0 e 0 28 122 0 69 4.49 7.7 1 U 1.12E+08 0 e 0 33 123 0 70 4.559 7.977 1 U 2.58E+07 0 e 0 126 127 0 71 4.115 6.778 1 U 5.09E+07 0 e 0 51 130 0 72 4.127 7.931 1 U 3.71E+10 0 e 0 58 131 0 73 4.203 7.784 1 U -1.71E+09 0 e 0 63 132 0 74 4.354 7.626 1 U 3.35E+07 0 e 0 133 134 0 75 3.692 7.748 1 U 5.48E+08 0 e 0 69 137 0 76 4.406 7.481 1 U 3.34E+08 0 e 0 138 139 0 77 4.436 7.455 1 U 3.34E+08 0 e 0 142 143 0 78 4.101 7.379 1 U 1.65E+08 0 e 0 89 144 0 79 4.37 7.581 1 U -1.80E+08 0 e 0 146 147 0 80 3.822 7.745 1 U 1.97E+08 0 e 0 96 150 0 81 3.94 7.439 1 U 3.64E+07 0 e 0 100 151 0 82 0.822 7.91 1 U 5.34E+07 0 e 0 104 152 0 83 4.44 7.486 1 U 3.34E+08 0 e 0 153 154 0 84 4.241 7.712 1 U 8.25E+06 0 e 0 111 157 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 . . 34652 1 2 . . H 1 H . . 14 ppm . . . 4.76 . . 34652 1 stop_ save_