######################### # 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 34651 _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 3 _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 $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 89 1 60.06 4.2 1 U 6.82E+06 0 e 0 117 119 0 2 19.212 1.085 1 U 1.44E+07 0 e 0 118 122 0 3 57.619 4.209 1 U 7.74E+05 0 e 0 78 80 0 4 62.109 3.761 1 U -2.75E+06 0 e 0 79 81 0 5 62.132 3.651 1 U -3.12E+06 0 e 0 79 82 0 6 62.286 4.264 1 U 5.20E+06 0 e 0 107 111 0 7 48.806 3.513 1 U -9.08E+06 0 e 0 109 114 0 8 48.758 3.456 1 U -5.99E+05 0 e 0 109 115 0 9 29.788 2.155 1 U -5.61E+06 0 e 0 108 112 0 10 29.822 1.879 1 U -4.06E+06 0 e 0 108 113 0 11 54.847 4.118 1 U 2.44E+06 0 e 0 62 66 0 12 40.239 1.53 1 U -4.76E+06 0 e 0 63 68 0 13 22.265 0.821 1 U 1.04E+07 0 e 0 64 69 0 14 20.802 0.745 1 U 9.50E+06 0 e 0 65 70 0 15 55.632 4.119 1 U 2.48E+06 0 e 0 71 74 0 16 32.25 2.278 1 U -5.28E+06 0 e 0 73 77 0 17 27.221 2.012 1 U -1.74E+07 0 e 0 72 76 0 18 51.908 4.616 1 U 4.93E+06 0 e 0 123 125 0 19 37.088 2.724 1 U -9.77E+06 0 e 0 124 127 0 20 54.376 4.308 1 U 2.56E+06 0 e 0 10 13 0 21 30.75 2.364 1 U -4.72E+06 0 e 0 12 17 0 22 27.342 2.021 1 U 1.37E+07 0 e 0 11 14 0 23 27.306 1.875 1 U -6.61E+06 0 e 0 11 15 0 24 61.452 3.968 1 U 6.24E+06 0 e 0 131 134 0 25 30.997 1.985 1 U 7.14E+06 0 e 0 132 135 0 26 18.441 0.829 1 U 4.23E+07 0 e 0 133 137 0 27 18.71 0.813 1 U 5.77E+06 0 e 0 5 9 0 28 30.896 1.99 1 U 1.37E+06 0 e 0 4 7 0 29 61.295 4.027 1 U 3.21E+06 0 e 0 3 6 0 30 43.691 3.898 1 U -1.32E+06 0 e 0 128 130 0 31 37.161 2.864 1 U -9.05E+07 0 e 0 142 145 0 32 31.735 2.216 1 U -1.57E+07 0 e 0 101 106 0 33 27.808 1.97 1 U -4.91E+06 0 e 0 100 103 0 34 27.802 1.827 1 U -5.92E+06 0 e 0 100 104 0 35 53.23 4.251 1 U 6.81E+06 0 e 0 148 151 0 36 31.978 2.195 1 U -5.22E+06 0 e 0 150 155 0 37 27.618 2.055 1 U -8.64E+06 0 e 0 149 152 0 38 27.561 1.862 1 U -1.33E+06 0 e 0 149 153 0 39 43.484 3.692 1 U -9.30E+06 0 e 0 138 140 0 40 37.134 2.968 1 U 318 0 e 0 40 42 0 41 37.106 2.812 1 U -1.33E+08 0 e 0 40 43 0 42 37.207 2.918 1 U 4.31E+07 0 e 0 84 87 0 43 25.362 1.895 1 U -9.33E+06 0 e 0 110 116 0 44 51.929 4.508 1 U 5.03E+06 0 e 0 28 30 0 45 37.028 2.616 1 U -4.34E+05 0 e 0 29 32 0 46 48.912 3.551 1 U 9.11E+04 0 e 0 53 60 0 47 29.673 1.726 1 U -2.42E+06 0 e 0 52 57 0 48 25.523 1.809 1 U -3.50E+06 0 e 0 54 61 0 49 63.15 4.205 1 U 2.25E+06 0 e 0 51 55 0 50 41.676 3.738 1 U -3.61E+06 0 e 0 90 91 0 51 43.639 3.787 1 U -8.56E+06 0 e 0 18 20 0 52 37.625 2.938 1 U -1.23E+07 0 e 0 94 97 0 53 37.79 2.993 1 U -4.77E+06 0 e 0 22 25 0 54 37.044 2.756 1 U 5.96E+07 0 e 0 47 50 0 55 25.972 2.739 1 U -4.37E+05 0 e 0 34 36 0 56 25.95 2.629 1 U -1.78E+06 0 e 0 34 37 0 57 29.886 2.137 1 U -1.01E+06 0 e 0 52 56 0 58 41.864 3.847 1 U -8.07E+06 0 e 0 1 2 0 59 43.54 3.881 1 U -9.82E+06 0 e 0 138 139 0 60 56.954 4.269 1 U 2.90E+07 0 e 0 33 35 0 61 54.978 4.528 1 U 8.74E+05 0 e 0 21 23 0 62 56.268 4.48 1 U -2.05E+06 0 e 0 39 41 0 63 56.367 4.48 1 U 6.49E+06 0 e 0 93 95 0 64 4.206 7.449 1 U 2.33E+07 0 e 0 119 121 0 65 4.229 7.774 1 U -1.04E+09 0 e 0 80 83 0 66 4.139 6.779 1 U 2.28E+07 0 e 0 66 67 0 67 4.125 7.951 1 U 2.21E+09 0 e 0 74 75 0 68 4.621 7.94 1 U -9.28E+06 0 e 0 125 126 0 69 4.309 8.076 1 U 2.66E+06 0 e 0 13 16 0 70 3.967 7.536 1 U 1.24E+06 0 e 0 134 136 0 71 4.036 8.065 1 U 1.93E+07 0 e 0 2 8 0 72 3.868 8.033 1 U 5.78E+07 0 e 0 130 129 0 73 4.463 7.501 1 U 4.06E+07 0 e 0 143 144 0 74 4.519 7.623 1 U -1.46E+06 0 e 0 102 105 0 75 4.282 7.77 1 U 7.76E+07 0 e 0 151 154 0 76 3.738 7.944 1 U 1.14E+08 0 e 0 139 141 0 77 4.49 7.627 1 U 1.69E+08 0 e 0 85 86 0 78 4.492 7.716 1 U -2.00E+07 0 e 0 41 44 0 79 4.273 7.639 1 U -1.08E+09 0 e 0 30 31 0 80 3.689 7.929 1 U -7.37E+06 0 e 0 91 92 0 81 4.543 7.822 1 U 2.89E+08 0 e 0 23 24 0 82 3.796 7.946 1 U -3.69E+08 0 e 0 20 19 0 83 4.509 7.899 1 U 5.65E+05 0 e 0 95 96 0 84 4.621 8.017 1 U -6.64E+06 0 e 0 48 49 0 85 4.444 7.903 1 U 3.53E+06 0 e 0 35 38 0 86 7.790 7.761 1 U 9.99E+08 0 e 0 83 92 0 87 7.970 7.526 1 U 7.97e+07 0 e 0 75 86 0 88 7.654 7.508 1 U 1.5e+08 0 e 0 86 96 0 89 7.782 7.635 1 U 2.11e+08 0 e 0 92 105 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 . . 34651 1 2 . . H 1 H . . 14 ppm . . . 4.76 . . 34651 1 stop_ save_