######################### # 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 31047 _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 #INAME 1 H #INAME 2 h 1 5.013 8.566 1 T 2.061e+05 0.00e+00 a 0 0 0 0 2 2.776 8.567 1 T 3.006e+05 0.00e+00 a 0 0 0 0 3 3.049 8.566 1 T 2.982e+05 0.00e+00 a 0 0 0 0 4 8.567 3.049 1 T 2.134e+05 0.00e+00 a 0 0 0 0 5 8.567 2.776 1 T 1.376e+05 0.00e+00 a 0 0 0 0 6 5.013 3.049 1 T 3.630e+05 0.00e+00 a 0 0 0 0 7 5.013 2.776 1 T 2.776e+05 0.00e+00 a 0 0 0 0 8 2.776 3.050 1 T 1.431e+06 0.00e+00 a 0 0 0 0 9 3.049 2.776 1 T 1.084e+06 0.00e+00 a 0 0 0 0 10 3.954 8.566 1 T 9.194e+05 0.00e+00 a 0 0 0 0 11 3.623 8.120 1 T 3.651e+05 0.00e+00 a 0 0 0 0 12 8.119 3.623 1 T 2.876e+05 0.00e+00 a 0 0 0 0 13 3.623 2.000 1 T 2.923e+05 0.00e+00 a 0 0 0 0 14 3.622 0.920 1 T 1.085e+06 0.00e+00 a 0 0 0 0 15 3.623 0.845 1 T 5.803e+05 0.00e+00 a 0 0 0 0 16 2.000 8.119 1 T 9.909e+05 0.00e+00 a 0 0 0 0 17 2.000 3.622 1 T 3.662e+05 0.00e+00 a 0 0 0 0 18 8.120 2.000 1 T 6.057e+05 0.00e+00 a 0 0 0 0 19 8.120 0.920 1 T 4.028e+05 0.00e+00 a 0 0 0 0 20 8.120 1.061 1 T 1.934e+05 0.00e+00 a 0 0 0 0 21 8.120 0.845 1 T 4.043e+05 0.00e+00 a 0 0 0 0 22 3.623 1.060 1 T 2.543e+05 0.00e+00 a 0 0 0 0 23 2.000 0.845 1 T 1.405e+06 0.00e+00 a 0 0 0 0 24 2.000 0.920 1 T 2.073e+06 0.00e+00 a 0 0 0 0 25 2.000 1.061 1 T 3.402e+05 0.00e+00 a 0 0 0 0 26 0.845 2.000 1 T 7.718e+05 0.00e+00 a 0 0 0 0 27 0.920 2.001 1 T 1.185e+06 0.00e+00 a 0 0 0 0 28 1.060 2.000 1 T 4.029e+05 0.00e+00 a 0 0 0 0 29 0.845 1.061 1 T 1.218e+06 0.00e+00 a 0 0 0 0 30 0.920 1.061 1 T 1.342e+06 0.00e+00 a 0 0 0 0 31 1.061 0.920 1 T 2.196e+06 0.00e+00 a 0 0 0 0 32 1.061 0.845 1 T 2.416e+06 0.00e+00 a 0 0 0 0 33 1.061 3.624 1 T 4.653e+05 0.00e+00 a 0 0 0 0 34 0.920 3.623 1 T 7.140e+05 0.00e+00 a 0 0 0 0 35 0.845 3.623 1 T 2.829e+05 0.00e+00 a 0 0 0 0 36 1.060 8.120 1 T 2.610e+05 0.00e+00 a 0 0 0 0 37 0.920 8.120 1 T 3.402e+05 0.00e+00 a 0 0 0 0 38 0.845 8.120 1 T 3.612e+05 0.00e+00 a 0 0 0 0 39 4.072 7.902 1 T 1.271e+06 0.00e+00 a 0 0 0 0 40 3.935 8.533 1 T 9.158e+05 0.00e+00 a 0 0 0 0 41 1.531 8.534 1 T 1.950e+06 0.00e+00 a 0 0 0 0 42 1.554 7.902 1 T 1.912e+06 0.00e+00 a 0 0 0 0 43 4.100 8.695 1 T 4.641e+05 0.00e+00 a 0 0 0 0 44 5.013 8.695 1 T 1.418e+06 0.00e+00 a 0 0 0 0 45 4.254 7.660 1 T 5.842e+05 0.00e+00 a 0 0 0 0 46 3.952 8.148 1 T 7.272e+05 0.00e+00 a 0 0 0 0 47 4.100 8.148 1 T 3.708e+05 0.00e+00 a 0 0 0 0 48 4.050 7.782 1 T 6.929e+05 0.00e+00 a 0 0 0 0 49 3.952 7.782 1 T 2.541e+05 0.00e+00 a 0 0 0 0 50 3.623 7.660 1 T 2.738e+05 0.00e+00 a 0 0 0 0 51 3.874 8.523 1 T 5.700e+05 0.00e+00 a 0 0 0 0 52 3.623 8.523 1 T 3.217e+05 0.00e+00 a 0 0 0 0 53 4.062 7.740 1 T 8.516e+05 0.00e+00 a 0 0 0 0 54 3.874 7.740 1 T 2.412e+05 0.00e+00 a 0 0 0 0 55 4.061 7.660 1 T 4.516e+05 0.00e+00 a 0 0 0 0 56 4.255 7.894 1 T 2.470e+05 0.00e+00 a 0 0 0 0 57 4.046 7.894 1 T 1.336e+06 0.00e+00 a 0 0 0 0 58 4.099 8.534 1 T 4.545e+05 0.00e+00 a 0 0 0 0 59 3.934 7.903 1 T 3.212e+05 0.00e+00 a 0 0 0 0 60 3.935 8.119 1 T 4.163e+05 0.00e+00 a 0 0 0 0 61 4.072 8.119 1 T 3.684e+05 0.00e+00 a 0 0 0 0 62 4.141 8.534 1 T 4.061e+05 0.00e+00 a 0 0 0 0 63 4.141 7.871 1 T 1.100e+06 0.00e+00 a 0 0 0 0 64 4.083 7.872 1 T 1.291e+06 0.00e+00 a 0 0 0 0 65 8.694 8.148 1 T 4.566e+05 0.00e+00 a 0 0 0 0 66 8.147 8.695 1 T 4.733e+05 0.00e+00 a 0 0 0 0 67 8.534 7.902 1 T 6.889e+05 0.00e+00 a 0 0 0 0 68 7.902 8.533 1 T 9.235e+05 0.00e+00 a 0 0 0 0 69 7.872 8.533 1 T 1.049e+06 0.00e+00 a 0 0 0 0 70 8.533 7.872 1 T 6.333e+05 0.00e+00 a 0 0 0 0 71 7.740 8.523 1 T 5.102e+05 0.00e+00 a 0 0 0 0 72 8.523 7.740 1 T 4.469e+05 0.00e+00 a 0 0 0 0 73 8.120 7.873 1 T 5.195e+05 0.00e+00 a 0 0 0 0 74 7.873 8.119 1 T 5.804e+05 0.00e+00 a 0 0 0 0 75 8.523 8.120 1 T 4.441e+05 0.00e+00 a 0 0 0 0 76 8.119 8.523 1 T 4.827e+05 0.00e+00 a 0 0 0 0 77 8.533 7.782 1 T 2.148e+05 0.00e+00 a 0 0 0 0 78 7.782 8.534 1 T 3.595e+05 0.00e+00 a 0 0 0 0 79 7.782 8.148 1 T 5.448e+05 0.00e+00 a 0 0 0 0 80 8.148 7.782 1 T 4.483e+05 0.00e+00 a 0 0 0 0 81 7.660 7.894 1 T 5.133e+05 0.00e+00 a 0 0 0 0 82 7.895 7.660 1 T 5.660e+05 0.00e+00 a 0 0 0 0 83 7.782 7.871 1 T 7.924e+05 0.00e+00 a 0 0 0 0 84 7.871 7.781 1 T 8.235e+05 0.00e+00 a 0 0 0 0 85 4.083 8.119 1 T 3.937e+05 0.00e+00 a 0 0 0 0 86 7.660 7.740 1 T 9.366e+05 0.00e+00 a 0 0 0 0 87 7.740 7.660 1 T 7.150e+05 0.00e+00 a 0 0 0 0 88 8.148 3.952 1 T 3.695e+05 0.00e+00 a 0 0 0 0 89 7.782 4.050 1 T 4.859e+05 0.00e+00 a 0 0 0 0 90 0.900 8.695 1 T 2.202e+05 0.00e+00 a 0 0 0 0 91 8.566 3.954 1 T 9.910e+05 0.00e+00 a 0 0 0 0 92 7.871 4.141 1 T 2.487e+05 0.00e+00 a 0 0 0 0 93 8.533 3.935 1 T 5.345e+05 0.00e+00 a 0 0 0 0 94 7.902 4.072 1 T 4.911e+05 0.00e+00 a 0 0 0 0 95 4.073 8.523 1 T 5.891e+05 0.00e+00 a 0 0 0 0 96 8.523 3.873 1 T 3.844e+05 0.00e+00 a 0 0 0 0 97 1.554 4.071 1 T 9.045e+05 0.00e+00 a 0 0 0 0 98 1.531 3.932 1 T 1.212e+06 0.00e+00 a 0 0 0 0 99 0.900 4.100 1 T 3.817e+05 0.00e+00 a 0 0 0 0 100 8.694 0.900 1 T 3.930e+05 0.00e+00 a 0 0 0 0 102 1.927 8.148 1 T 1.274e+06 0.00e+00 a 0 0 0 0 103 1.415 8.148 1 T 2.812e+05 0.00e+00 a 0 0 0 0 104 1.671 8.148 1 T 4.767e+05 0.00e+00 a 0 0 0 0 105 8.147 1.927 1 T 6.942e+05 0.00e+00 a 0 0 0 0 106 8.148 1.671 1 T 2.435e+05 0.00e+00 a 0 0 0 0 107 3.952 1.927 1 T 6.587e+05 0.00e+00 a 0 0 0 0 108 3.952 1.671 1 T 3.171e+05 0.00e+00 a 0 0 0 0 109 3.952 1.415 1 T 3.742e+05 0.00e+00 a 0 0 0 0 110 1.928 1.671 1 T 2.031e+06 0.00e+00 a 0 0 0 0 111 1.927 1.415 1 T 6.370e+05 0.00e+00 a 0 0 0 0 112 1.671 1.415 1 T 1.547e+06 0.00e+00 a 0 0 0 0 113 1.415 1.671 1 T 1.398e+06 0.00e+00 a 0 0 0 0 114 1.415 1.927 1 T 4.540e+05 0.00e+00 a 0 0 0 0 115 1.671 1.927 1 T 1.825e+06 0.00e+00 a 0 0 0 0 116 1.415 3.952 1 T 3.434e+05 0.00e+00 a 0 0 0 0 117 1.671 3.952 1 T 2.721e+05 0.00e+00 a 0 0 0 0 118 1.927 3.952 1 T 8.529e+05 0.00e+00 a 0 0 0 0 119 3.952 3.037 1 T 2.474e+05 0.00e+00 a 0 0 0 0 122 4.050 1.866 1 T 9.497e+05 0.00e+00 a 0 0 0 0 123 1.944 7.782 1 T 1.023e+06 0.00e+00 a 0 0 0 0 124 1.866 7.782 1 T 9.353e+05 0.00e+00 a 0 0 0 0 125 1.723 7.782 1 T 2.324e+05 0.00e+00 a 0 0 0 0 126 1.495 7.782 1 T 3.895e+05 0.00e+00 a 0 0 0 0 127 1.944 4.050 1 T 1.668e+06 0.00e+00 a 0 0 0 0 128 1.723 4.050 1 T 2.861e+05 0.00e+00 a 0 0 0 0 129 1.867 4.050 1 T 6.840e+05 0.00e+00 a 0 0 0 0 130 1.495 4.050 1 T 7.274e+05 0.00e+00 a 0 0 0 0 131 1.495 1.945 1 T 1.062e+06 0.00e+00 a 0 0 0 0 132 1.496 1.867 1 T 1.306e+06 0.00e+00 a 0 0 0 0 133 1.495 1.723 1 T 4.567e+06 0.00e+00 a 0 0 0 0 134 1.724 1.944 1 T 1.746e+06 0.00e+00 a 0 0 0 0 135 1.724 1.867 1 T 2.927e+06 0.00e+00 a 0 0 0 0 136 1.944 1.866 1 T 5.366e+06 0.00e+00 a 0 0 0 0 137 1.866 1.944 1 T 5.382e+06 0.00e+00 a 0 0 0 0 138 1.866 1.723 1 T 3.981e+06 0.00e+00 a 0 0 0 0 139 1.944 1.724 1 T 2.402e+06 0.00e+00 a 0 0 0 0 140 1.724 1.496 1 T 4.092e+06 0.00e+00 a 0 0 0 0 141 1.866 1.495 1 T 1.435e+06 0.00e+00 a 0 0 0 0 142 1.945 1.495 1 T 1.175e+06 0.00e+00 a 0 0 0 0 143 4.051 1.495 1 T 8.311e+05 0.00e+00 a 0 0 0 0 144 4.050 3.011 1 T 2.169e+05 0.00e+00 a 0 0 0 0 145 1.944 3.011 1 T 4.982e+05 0.00e+00 a 0 0 0 0 146 1.866 3.011 1 T 7.026e+05 0.00e+00 a 0 0 0 0 147 1.724 3.011 1 T 2.171e+06 0.00e+00 a 0 0 0 0 148 1.495 3.011 1 T 1.184e+06 0.00e+00 a 0 0 0 0 149 3.011 1.945 1 T 3.323e+05 0.00e+00 a 0 0 0 0 150 3.011 1.866 1 T 5.495e+05 0.00e+00 a 0 0 0 0 151 3.011 1.723 1 T 1.986e+06 0.00e+00 a 0 0 0 0 152 3.011 1.495 1 T 9.158e+05 0.00e+00 a 0 0 0 0 153 4.083 3.194 1 T 2.405e+05 0.00e+00 a 0 0 0 0 154 3.193 7.335 1 T 4.195e+05 0.00e+00 a 0 0 0 0 155 7.334 3.193 1 T 4.845e+05 0.00e+00 a 0 0 0 0 156 4.083 2.102 1 T 5.898e+05 0.00e+00 a 0 0 0 0 157 7.872 2.102 1 T 4.900e+05 0.00e+00 a 0 0 0 0 158 3.193 2.102 1 T 3.436e+05 0.00e+00 a 0 0 0 0 159 2.102 3.193 1 T 4.263e+05 0.00e+00 a 0 0 0 0 160 2.102 4.083 1 T 4.715e+05 0.00e+00 a 0 0 0 0 161 2.102 7.872 1 T 8.718e+05 0.00e+00 a 0 0 0 0 162 1.509 7.660 1 T 3.845e+05 0.00e+00 a 0 0 0 0 163 2.017 7.660 1 T 9.685e+05 0.00e+00 a 0 0 0 0 164 4.255 2.017 1 T 5.754e+05 0.00e+00 a 0 0 0 0 165 4.255 1.509 1 T 3.030e+05 0.00e+00 a 0 0 0 0 166 3.874 1.989 1 T 4.666e+05 0.00e+00 a 0 0 0 0 167 1.989 3.873 1 T 6.910e+05 0.00e+00 a 0 0 0 0 168 1.990 8.523 1 T 1.176e+06 0.00e+00 a 0 0 0 0 169 3.954 1.001 1 T 5.624e+05 0.00e+00 a 0 0 0 0 170 1.001 3.954 1 T 4.450e+05 0.00e+00 a 0 0 0 0 171 3.954 0.945 1 T 2.628e+05 0.00e+00 a 0 0 0 0 172 4.046 0.980 1 T 1.206e+06 0.00e+00 a 0 0 0 0 173 4.046 0.861 1 T 4.707e+05 0.00e+00 a 0 0 0 0 174 0.980 4.046 1 T 4.383e+05 0.00e+00 a 0 0 0 0 175 0.980 7.894 1 T 5.365e+05 0.00e+00 a 0 0 0 0 176 3.875 1.870 1 T 4.778e+05 0.00e+00 a 0 0 0 0 177 3.875 1.701 1 T 2.404e+05 0.00e+00 a 0 0 0 0 178 1.870 8.523 1 T 1.175e+06 0.00e+00 a 0 0 0 0 180 3.874 1.468 1 T 2.692e+05 0.00e+00 a 0 0 0 0 181 1.870 3.874 1 T 6.271e+05 0.00e+00 a 0 0 0 0 182 1.468 3.873 1 T 2.736e+05 0.00e+00 a 0 0 0 0 183 8.523 1.989 1 T 5.700e+05 0.00e+00 a 0 0 0 0 184 8.523 1.870 1 T 5.936e+05 0.00e+00 a 0 0 0 0 185 8.523 1.468 1 T 2.065e+05 0.00e+00 a 0 0 0 0 186 1.991 1.870 1 T 3.863e+06 0.00e+00 a 0 0 0 0 187 1.989 1.701 1 T 1.578e+06 0.00e+00 a 0 0 0 0 188 1.990 1.468 1 T 9.698e+05 0.00e+00 a 0 0 0 0 189 1.870 1.990 1 T 3.126e+06 0.00e+00 a 0 0 0 0 190 1.870 1.701 1 T 3.207e+06 0.00e+00 a 0 0 0 0 191 1.870 1.468 1 T 1.019e+06 0.00e+00 a 0 0 0 0 192 1.701 1.989 1 T 1.045e+06 0.00e+00 a 0 0 0 0 193 1.701 1.870 1 T 2.505e+06 0.00e+00 a 0 0 0 0 194 1.702 1.468 1 T 3.230e+06 0.00e+00 a 0 0 0 0 195 1.468 1.989 1 T 6.834e+05 0.00e+00 a 0 0 0 0 196 1.468 1.870 1 T 1.046e+06 0.00e+00 a 0 0 0 0 197 1.468 1.701 1 T 3.382e+06 0.00e+00 a 0 0 0 0 198 7.740 4.062 1 T 5.309e+05 0.00e+00 a 0 0 0 0 199 3.935 1.533 1 T 2.585e+06 0.00e+00 a 0 0 0 0 200 8.533 1.533 1 T 1.754e+06 0.00e+00 a 0 0 0 0 201 4.071 1.554 1 T 3.498e+06 0.00e+00 a 0 0 0 0 202 7.902 1.554 1 T 2.175e+06 0.00e+00 a 0 0 0 0 203 1.543 7.740 1 T 4.153e+05 0.00e+00 a 0 0 0 0 204 1.727 7.741 1 T 3.559e+05 0.00e+00 a 0 0 0 0 205 7.741 1.944 1 T 1.091e+06 0.00e+00 a 0 0 0 0 206 7.740 1.727 1 T 3.007e+05 0.00e+00 a 0 0 0 0 207 7.740 1.543 1 T 3.647e+05 0.00e+00 a 0 0 0 0 208 4.062 1.944 1 T 2.229e+06 0.00e+00 a 0 0 0 0 209 4.062 1.727 1 T 8.226e+05 0.00e+00 a 0 0 0 0 210 1.944 4.062 1 T 1.350e+06 0.00e+00 a 0 0 0 0 211 1.727 4.062 1 T 3.975e+05 0.00e+00 a 0 0 0 0 212 1.543 1.944 1 T 1.407e+06 0.00e+00 a 0 0 0 0 213 1.544 1.727 1 T 3.616e+06 0.00e+00 a 0 0 0 0 214 1.727 1.944 1 T 1.746e+06 0.00e+00 a 0 0 0 0 215 1.944 1.727 1 T 2.305e+06 0.00e+00 a 0 0 0 0 216 1.727 1.543 1 T 3.327e+06 0.00e+00 a 0 0 0 0 217 1.944 1.544 1 T 1.566e+06 0.00e+00 a 0 0 0 0 218 7.660 2.017 1 T 6.327e+05 0.00e+00 a 0 0 0 0 219 7.660 1.509 1 T 2.735e+05 0.00e+00 a 0 0 0 0 221 4.254 1.729 1 T 3.793e+05 0.00e+00 a 0 0 0 0 222 3.001 1.729 1 T 1.943e+06 0.00e+00 a 0 0 0 0 223 3.000 1.509 1 T 9.682e+05 0.00e+00 a 0 0 0 0 224 1.510 3.001 1 T 1.173e+06 0.00e+00 a 0 0 0 0 225 1.728 3.000 1 T 2.291e+06 0.00e+00 a 0 0 0 0 226 2.016 1.509 1 T 1.120e+06 0.00e+00 a 0 0 0 0 227 2.016 1.729 1 T 1.181e+06 0.00e+00 a 0 0 0 0 228 1.728 2.017 1 T 5.786e+05 0.00e+00 a 0 0 0 0 229 1.728 1.509 1 T 3.503e+06 0.00e+00 a 0 0 0 0 230 1.509 2.016 1 T 8.432e+05 0.00e+00 a 0 0 0 0 231 1.509 1.729 1 T 4.206e+06 0.00e+00 a 0 0 0 0 232 4.141 0.935 1 T 6.657e+05 0.00e+00 a 0 0 0 0 233 7.871 1.829 1 T 1.041e+06 0.00e+00 a 0 0 0 0 234 7.872 0.935 1 T 3.645e+05 0.00e+00 a 0 0 0 0 235 4.142 0.999 1 T 1.402e+06 0.00e+00 a 0 0 0 0 236 4.140 1.829 1 T 9.893e+05 0.00e+00 a 0 0 0 0 237 1.829 0.935 1 T 2.015e+06 0.00e+00 a 0 0 0 0 238 1.829 0.999 1 T 2.002e+06 0.00e+00 a 0 0 0 0 239 0.998 1.829 1 T 1.324e+06 0.00e+00 a 0 0 0 0 240 0.935 1.829 1 T 1.518e+06 0.00e+00 a 0 0 0 0 241 0.935 0.999 1 T 1.472e+07 0.00e+00 a 0 0 0 0 242 0.999 0.935 1 T 1.341e+07 0.00e+00 a 0 0 0 0 243 0.999 4.141 1 T 3.402e+05 0.00e+00 a 0 0 0 0 244 1.829 4.141 1 T 3.204e+05 0.00e+00 a 0 0 0 0 246 1.014 0.900 1 T 5.639e+06 0.00e+00 a 0 0 0 0 247 0.900 1.014 1 T 8.931e+06 0.00e+00 a 0 0 0 0 248 1.014 4.100 1 T 2.190e+05 0.00e+00 a 0 0 0 0 249 1.015 8.694 1 T 3.109e+05 0.00e+00 a 0 0 0 0 250 0.861 1.967 1 T 7.239e+05 0.00e+00 a 0 0 0 0 251 0.980 1.967 1 T 1.711e+06 0.00e+00 a 0 0 0 0 252 1.827 8.695 1 T 8.019e+05 0.00e+00 a 0 0 0 0 253 4.100 1.827 1 T 1.007e+06 0.00e+00 a 0 0 0 0 254 1.827 0.900 1 T 2.085e+06 0.00e+00 a 0 0 0 0 255 1.827 1.015 1 T 1.983e+06 0.00e+00 a 0 0 0 0 256 0.900 1.827 1 T 1.548e+06 0.00e+00 a 0 0 0 0 257 1.015 1.827 1 T 1.286e+06 0.00e+00 a 0 0 0 0 258 1.687 3.193 1 T 3.727e+05 0.00e+00 a 0 0 0 0 259 3.191 1.687 1 T 3.584e+05 0.00e+00 a 0 0 0 0 260 1.687 7.872 1 T 5.422e+05 0.00e+00 a 0 0 0 0 262 8.695 1.827 1 T 3.327e+05 0.00e+00 a 0 0 0 0 263 8.147 1.827 1 T 3.895e+05 0.00e+00 a 0 0 0 0 264 7.782 1.944 1 T 9.352e+05 0.00e+00 a 0 0 0 0 265 7.782 1.927 1 T 7.851e+05 0.00e+00 a 0 0 0 0 266 7.782 1.866 1 T 6.342e+05 0.00e+00 a 0 0 0 0 267 7.782 1.723 1 T 3.087e+05 0.00e+00 a 0 0 0 0 268 7.782 1.496 1 T 3.542e+05 0.00e+00 a 0 0 0 0 269 0.998 7.872 1 T 3.500e+05 0.00e+00 a 0 0 0 0 270 0.935 7.871 1 T 2.682e+05 0.00e+00 a 0 0 0 0 271 1.829 7.871 1 T 1.331e+06 0.00e+00 a 0 0 0 0 272 7.871 1.944 1 T 9.266e+05 0.00e+00 a 0 0 0 0 273 7.871 1.866 1 T 5.998e+05 0.00e+00 a 0 0 0 0 274 7.903 3.935 1 T 2.089e+05 0.00e+00 a 0 0 0 0 275 8.523 4.073 1 T 1.739e+05 0.00e+00 a 0 0 0 0 276 7.872 4.083 1 T 5.093e+05 0.00e+00 a 0 0 0 0 277 7.894 4.046 1 T 6.219e+05 0.00e+00 a 0 0 0 0 278 8.533 1.829 1 T 7.161e+05 0.00e+00 a 0 0 0 0 279 7.902 1.533 1 T 1.707e+06 0.00e+00 a 0 0 0 0 280 8.120 2.102 1 T 2.282e+05 0.00e+00 a 0 0 0 0 281 7.660 1.944 1 T 4.775e+05 0.00e+00 a 0 0 0 0 282 7.895 0.980 1 T 5.339e+05 0.00e+00 a 0 0 0 0 283 7.895 1.967 1 T 7.424e+05 0.00e+00 a 0 0 0 0 284 7.895 2.016 1 T 4.967e+05 0.00e+00 a 0 0 0 0 285 6.919 7.741 1 T 3.319e+06 0.00e+00 a 0 0 0 0 286 7.741 6.919 1 T 3.525e+06 0.00e+00 a 0 0 0 0 287 6.954 7.407 1 T 2.077e+06 0.00e+00 a 0 0 0 0 288 7.407 6.955 1 T 2.660e+06 0.00e+00 a 0 0 0 0 289 7.894 7.407 1 T 2.871e+05 0.00e+00 a 0 0 0 0 290 7.407 7.894 1 T 3.440e+05 0.00e+00 a 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 . 'not observed' 15.00 ppm . . . 4.771 . . 31047 1 2 . . H 1 H . 'not observed' 15.00 ppm . . . 4.771 . . 31047 1 stop_ save_