######################### # 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 20111 _Spectral_peak_list.ID 1 _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.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 1 8.219 1.282 0 N 5.889e+06 0.00e+00 a 0 11 8 2 8.216 4.014 0 N 7.212e+07 0.00e+00 a 0 11 5 3 8.216 3.146 0 N 6.596e+07 0.00e+00 a 0 11 14 4 8.216 1.742 0 N 1.361e+07 0.00e+00 a 0 11 6 5 8.216 0.768 0 N 2.221e+07 0.00e+00 a 0 11 9 6 8.209 1.104 0 N 8.833e+05 0.00e+00 a 0 11 7 7 8.153 3.889 0 N 1.514e+08 0.00e+00 a 0 32 34 8 8.151 1.818 0 N 6.005e+07 0.00e+00 a 0 32 25 9 8.149 1.621 0 N 3.242e+07 0.00e+00 a 0 32 27 10 8.123 4.273 0 N 1.732e+08 0.00e+00 a 0 57 50 11 8.121 2.859 0 N 9.192e+07 0.00e+00 a 0 57 59 12 8.122 2.661 0 N 7.840e+07 0.00e+00 a 0 57 60 13 8.119 4.912 0 N 4.528e+06 0.00e+00 a 0 57 58 14 8.105 2.302 0 N 2.872e+07 0.00e+00 a 0 68 62 15 8.102 3.856 0 N 9.513e+06 0.00e+00 a 0 68 66 16 8.101 1.982 0 N 6.575e+07 0.00e+00 a 0 68 64 17 8.099 1.808 0 N 9.370e+07 0.00e+00 a 0 68 70 18 8.099 1.431 0 N 1.007e+08 0.00e+00 a 0 68 73 19 8.020 1.590 0 N 1.361e+06 0.00e+00 a 0 1 20 20 8.016 3.757 0 N 1.940e+07 0.00e+00 a 0 1 2 21 8.016 2.009 0 N 2.079e+07 0.00e+00 a 0 -1 -1 22 8.009 3.905 0 N 6.090e+06 0.00e+00 a 0 1 3 23 7.976 1.366 0 N 2.307e+08 0.00e+00 a 0 38 40 24 7.972 4.246 0 N 2.738e+08 0.00e+00 a 0 38 39 25 7.973 1.753 0 N 8.605e+07 0.00e+00 a 0 49 52 26 7.932 1.775 0 N 1.285e+08 0.00e+00 a 0 -1 -1 27 7.930 1.603 0 N 1.187e+08 0.00e+00 a 0 23 28 28 7.930 3.145 0 N 6.168e+06 0.00e+00 a 0 23 30 29 7.927 2.311 0 N 5.530e+07 0.00e+00 a 0 41 46 30 7.926 1.955 0 N 2.065e+08 0.00e+00 a 0 41 44 31 7.927 0.848 0 N 6.494e+06 0.00e+00 a 0 23 22 32 7.924 4.228 0 N 1.572e+08 0.00e+00 a 0 82 83 33 7.923 2.079 0 N 7.438e+07 0.00e+00 a 0 41 43 34 7.917 1.363 0 N 4.683e+07 0.00e+00 a 0 41 40 35 7.901 2.930 0 N 3.896e+07 0.00e+00 a 0 88 91 36 7.897 4.484 0 N 4.784e+06 0.00e+00 a 0 88 89 37 7.863 3.889 0 N 8.409e+07 0.00e+00 a 0 35 34 38 7.863 1.373 0 N 1.417e+08 0.00e+00 a 0 35 37 39 7.859 4.182 0 N 1.323e+08 0.00e+00 a 0 74 75 40 7.861 2.857 0 N 8.216e+06 0.00e+00 a 0 74 59 41 7.861 2.669 0 N 1.506e+06 0.00e+00 a 0 74 60 42 7.859 2.090 0 N 5.062e+07 0.00e+00 a 0 74 76 43 7.859 1.812 0 N 3.974e+07 0.00e+00 a 0 74 70 44 7.859 2.298 0 N 4.794e+07 0.00e+00 a 0 74 79 45 7.859 1.989 0 N 9.588e+07 0.00e+00 a 0 74 77 46 7.836 4.296 0 N 3.894e+07 0.00e+00 a 0 17 18 47 7.832 3.231 0 N 1.111e+07 0.00e+00 a 0 17 13 48 7.832 3.153 0 N 1.432e+07 0.00e+00 a 0 17 14 49 7.832 1.595 0 N 1.785e+08 0.00e+00 a 0 17 20 50 7.833 0.838 0 N 9.992e+06 0.00e+00 a 0 17 22 51 7.802 2.963 0 N 1.242e+07 0.00e+00 a 0 96 105 52 7.801 4.478 0 N 1.626e+07 0.00e+00 a 0 96 89 53 7.800 4.198 0 N 1.362e+07 0.00e+00 a 0 96 97 54 7.800 1.789 0 N 1.464e+07 0.00e+00 a 0 96 99 55 17.000 0.000 0 N 0.000e+00 0.00e+00 - 0 96 -1 56 7.758 4.011 0 N 2.914e+07 0.00e+00 a 0 4 5 57 7.758 3.894 0 N 5.659e+07 0.00e+00 a 0 4 3 58 7.758 3.758 0 N 3.132e+07 0.00e+00 a 0 4 2 59 7.758 1.743 0 N 6.027e+07 0.00e+00 a 0 4 6 60 7.759 1.277 0 N 1.221e+07 0.00e+00 a 0 4 8 61 7.758 1.093 0 N 2.799e+07 0.00e+00 a 0 4 7 62 7.758 0.766 0 N 3.267e+07 0.00e+00 a 0 4 9 63 7.471 2.299 0 N 1.006e+07 0.00e+00 a 0 80 62 64 7.383 2.331 0 N 6.148e+06 0.00e+00 a 0 47 45 65 7.243 3.138 0 N 2.228e+07 0.00e+00 a 0 15 14 66 7.240 0.762 0 N 1.924e+06 0.00e+00 a 0 15 9 67 7.116 1.834 0 N 4.728e+06 0.00e+00 a 0 31 25 68 7.117 3.141 0 N 2.900e+07 0.00e+00 a 0 31 30 69 7.117 1.625 0 N 1.159e+07 0.00e+00 a 0 31 28 70 7.087 4.185 0 N 5.551e+06 0.00e+00 a 0 92 75 71 7.089 1.337 0 N 2.117e+06 0.00e+00 a 0 92 101 72 7.084 2.310 0 N 3.099e+06 0.00e+00 a 0 92 78 73 7.082 1.944 0 N 4.870e+06 0.00e+00 a 0 92 84 74 7.081 4.485 0 N 7.258e+06 0.00e+00 a 0 92 89 75 7.079 2.926 0 N 1.043e+08 0.00e+00 a 0 95 91 76 7.062 0.840 0 N 1.225e+06 0.00e+00 a 0 -1 -1 77 6.845 4.194 0 N 6.835e+06 0.00e+00 a 0 -1 -1 78 6.791 2.337 0 N 2.584e+06 0.00e+00 a 0 -1 -1 79 6.780 4.181 0 N 4.513e+06 0.00e+00 a 0 93 75 80 6.779 3.001 0 N 7.538e+06 0.00e+00 a 0 94 90 81 6.779 2.936 0 N 3.657e+06 0.00e+00 a 0 94 91 82 6.778 2.266 0 N 8.003e+05 0.00e+00 a 0 93 87 83 6.773 2.662 0 N 1.393e+06 0.00e+00 a 0 93 60 84 6.761 4.093 0 N 2.863e+06 0.00e+00 a 0 -1 -1 85 6.760 3.746 0 N 2.561e+06 0.00e+00 a 0 93 2 86 6.643 2.299 0 N 7.606e+06 0.00e+00 a 0 81 78 87 8.219 7.245 0 N 4.007e+06 0.00e+00 a 0 11 15 88 8.216 7.827 0 N 6.593e+07 0.00e+00 a 0 11 17 89 8.153 7.871 0 N 7.768e+07 0.00e+00 a 0 32 35 90 8.152 7.926 0 N 7.547e+07 0.00e+00 a 0 32 23 91 8.098 7.855 0 N 9.303e+07 0.00e+00 a 0 68 74 92 8.016 7.743 0 N 1.179e+06 0.00e+00 a 0 1 4 93 7.900 7.073 0 N 2.568e+07 0.00e+00 a 0 88 92 94 7.858 8.123 0 N 5.156e+07 0.00e+00 a 0 74 68 95 7.834 8.211 0 N 3.291e+07 0.00e+00 a 0 17 11 96 7.801 7.103 0 N 5.335e+06 0.00e+00 a 0 96 92 97 7.801 6.847 0 N 1.098e+07 0.00e+00 a 0 -1 -1 98 7.799 6.774 0 N 3.282e+06 0.00e+00 a 0 96 93 99 7.757 8.209 0 N 8.457e+06 0.00e+00 a 0 4 11 100 7.471 6.644 0 N 6.431e+08 0.00e+00 a 0 80 81 101 7.411 7.121 0 N 8.050e+06 0.00e+00 a 0 47 31 102 7.383 6.609 0 N 6.614e+08 0.00e+00 a 0 47 48 103 7.243 8.233 0 N 2.305e+06 0.00e+00 a 0 15 11 104 7.084 7.915 0 N 1.266e+07 0.00e+00 a 0 92 82 105 7.078 6.780 0 N 2.038e+08 0.00e+00 a 0 92 93 106 6.844 7.796 0 N 8.095e+06 0.00e+00 a 0 -1 -1 107 6.852 6.766 0 N 6.447e+08 0.00e+00 a 0 -1 -1 108 6.779 7.076 0 N 1.659e+08 0.00e+00 a 0 93 92 109 6.777 6.847 0 N 1.983e+09 0.00e+00 a 0 -1 -1 110 6.768 7.797 0 N 1.584e+06 0.00e+00 a 0 93 96 111 6.644 7.469 0 N 9.612e+08 0.00e+00 a 0 81 80 112 6.610 7.383 0 N 1.004e+09 0.00e+00 a 0 48 47 113 4.917 3.872 0 N 9.089e+07 0.00e+00 a 0 58 66 114 4.914 2.857 0 N 3.692e+07 0.00e+00 a 0 58 59 115 4.914 2.663 0 N 4.423e+07 0.00e+00 a 0 58 60 116 4.916 1.994 0 N 1.340e+07 0.00e+00 a 0 58 64 117 4.480 3.009 0 N 3.084e+07 0.00e+00 a 0 89 90 118 4.349 2.295 0 N 8.224e+07 0.00e+00 a 0 61 63 119 4.349 1.972 0 N 8.124e+07 0.00e+00 a 0 61 65 120 4.296 0.830 0 N 4.681e+07 0.00e+00 a 0 18 22 121 4.294 1.582 0 N 1.190e+08 0.00e+00 a 0 18 20 122 4.277 1.751 0 N 1.042e+08 0.00e+00 a 0 50 52 123 4.248 2.323 0 N 6.140e+07 0.00e+00 a 0 42 46 124 4.250 2.075 0 N 8.854e+07 0.00e+00 a 0 42 43 125 4.234 1.367 0 N 3.084e+08 0.00e+00 a 0 39 40 126 4.223 2.958 0 N 1.172e+07 0.00e+00 a 0 97 105 127 4.216 3.127 0 N 1.116e+07 0.00e+00 a 0 24 30 128 4.217 1.967 0 N 1.591e+08 0.00e+00 a 0 75 77 129 4.216 1.867 0 N 1.286e+08 0.00e+00 a 0 -1 -1 130 4.208 2.288 0 N 8.870e+07 0.00e+00 a 0 75 79 131 4.211 1.633 0 N 7.220e+07 0.00e+00 a 0 97 103 132 4.208 2.094 0 N 9.116e+07 0.00e+00 a 0 75 76 133 4.156 2.967 0 N 6.921e+06 0.00e+00 a 0 69 91 134 4.154 1.810 0 N 1.353e+08 0.00e+00 a 0 69 70 135 4.154 1.681 0 N 4.753e+06 0.00e+00 a 0 69 71 136 4.154 1.421 0 N 5.522e+07 0.00e+00 a 0 69 73 137 4.153 1.997 0 N 3.171e+06 0.00e+00 a 0 69 64 138 4.016 3.152 0 N 2.992e+06 0.00e+00 a 0 5 30 139 4.013 1.745 0 N 6.216e+07 0.00e+00 a 0 5 6 140 4.013 1.273 0 N 7.200e+06 0.00e+00 a 0 5 8 141 4.012 1.084 0 N 6.086e+06 0.00e+00 a 0 5 7 142 4.013 0.768 0 N 3.784e+07 0.00e+00 a 0 5 10 143 3.137 1.845 0 N 2.886e+07 0.00e+00 a 0 29 25 144 3.137 1.786 0 N 3.538e+07 0.00e+00 a 0 29 25 145 3.137 1.622 0 N 1.032e+08 0.00e+00 a 0 29 27 146 3.038 1.164 0 N 3.195e+06 0.00e+00 a 0 -1 -1 147 2.961 1.789 0 N 4.445e+07 0.00e+00 a 0 104 98 148 2.956 1.679 0 N 4.413e+07 0.00e+00 a 0 55 51 149 2.956 1.430 0 N 1.920e+07 0.00e+00 a 0 55 73 150 2.930 1.348 0 N 7.260e+06 0.00e+00 a 0 55 53 151 2.912 1.591 0 N 1.005e+07 0.00e+00 a 0 -1 -1 152 2.855 1.993 0 N 1.841e+07 0.00e+00 a 0 -1 -1 153 2.855 2.301 0 N 9.426e+06 0.00e+00 a 0 -1 -1 154 2.856 2.661 0 N 4.918e+08 0.00e+00 a 0 59 60 155 2.665 2.858 0 N 4.681e+08 0.00e+00 a 0 60 59 156 2.319 2.075 0 N 1.836e+08 0.00e+00 a 0 45 43 157 2.297 1.966 0 N 7.886e+08 0.00e+00 a 0 46 44 158 2.092 2.313 0 N 1.252e+08 0.00e+00 a 0 43 45 159 1.964 2.298 0 N 6.202e+08 0.00e+00 a 0 44 46 160 1.806 1.433 0 N 1.822e+08 0.00e+00 a 0 70 72 161 1.742 0.771 0 N 7.265e+07 0.00e+00 a 0 6 10 162 1.740 1.094 0 N 2.083e+07 0.00e+00 a 0 6 7 163 1.679 1.420 0 N 6.190e+07 0.00e+00 a 0 71 73 164 1.611 1.349 0 N 1.036e+07 0.00e+00 a 0 102 100 165 1.550 0.858 0 N 1.107e+08 0.00e+00 a 0 19 22 166 1.423 1.799 0 N 2.182e+08 0.00e+00 a 0 72 70 167 1.414 1.679 0 N 1.043e+08 0.00e+00 a 0 73 71 168 1.274 1.092 0 N 6.872e+07 0.00e+00 a 0 8 7 169 1.272 0.780 0 N 2.332e+07 0.00e+00 a 0 8 9 170 1.100 1.745 0 N 1.524e+07 0.00e+00 a 0 7 6 171 1.099 1.287 0 N 3.129e+07 0.00e+00 a 0 7 8 172 0.891 1.575 0 N 8.350e+07 0.00e+00 a 0 21 19 173 0.830 1.578 0 N 6.783e+07 0.00e+00 a 0 22 19 174 0.834 2.016 0 N 5.466e+06 0.00e+00 a 0 -1 -1 175 0.794 1.293 0 N 2.282e+07 0.00e+00 a 0 9 8 176 0.771 1.740 0 N 7.183e+07 0.00e+00 a 0 10 6 177 2.085 2.861 0 N 3.576e+06 0.00e+00 a 0 -1 -1 178 1.845 3.137 0 N 2.202e+07 0.00e+00 a 0 26 30 179 1.811 2.964 0 N 2.948e+07 0.00e+00 a 0 -1 -1 180 1.761 3.137 0 N 2.867e+07 0.00e+00 a 0 -1 -1 181 1.679 2.957 0 N 7.421e+07 0.00e+00 a 0 51 55 182 1.645 3.136 0 N 6.866e+07 0.00e+00 a 0 28 30 183 1.607 2.883 0 N 5.367e+06 0.00e+00 a 0 -1 -1 184 1.603 3.139 0 N 4.870e+07 0.00e+00 a 0 28 30 185 1.417 2.948 0 N 2.200e+07 0.00e+00 a 0 -1 -1 186 1.355 2.892 0 N 1.012e+07 0.00e+00 a 0 -1 -1 187 1.354 3.122 0 N 4.899e+06 0.00e+00 a 0 -1 -1 188 1.353 2.951 0 N 9.017e+06 0.00e+00 a 0 53 55 189 1.342 3.276 0 N 6.636e+06 0.00e+00 a 0 -1 -1 190 1.235 3.318 0 N 5.759e+06 0.00e+00 a 0 -1 -1 191 1.202 3.408 0 N 7.162e+06 0.00e+00 a 0 -1 -1 192 2.298 4.214 0 N 7.137e+07 0.00e+00 a 0 79 75 193 2.297 4.346 0 N 5.162e+07 0.00e+00 a 0 63 61 194 2.088 4.221 0 N 7.774e+07 0.00e+00 a 0 76 75 195 1.994 4.356 0 N 2.088e+07 0.00e+00 a 0 65 61 196 1.971 4.221 0 N 1.226e+08 0.00e+00 a 0 77 75 197 1.811 4.160 0 N 1.044e+08 0.00e+00 a 0 70 69 198 1.769 4.238 0 N 2.940e+07 0.00e+00 a 0 52 39 199 1.746 4.014 0 N 4.072e+07 0.00e+00 a 0 6 5 200 1.695 4.271 0 N 3.595e+07 0.00e+00 a 0 51 50 201 1.654 4.209 0 N 2.922e+07 0.00e+00 a 0 103 97 202 1.606 4.275 0 N 6.569e+07 0.00e+00 a 0 20 18 203 1.415 4.153 0 N 7.029e+07 0.00e+00 a 0 73 69 204 1.380 3.970 0 N 7.791e+06 0.00e+00 a 0 -1 -1 205 1.366 4.232 0 N 1.899e+08 0.00e+00 a 0 40 39 206 0.901 4.166 0 N 1.252e+06 0.00e+00 a 0 -1 -1 207 0.890 4.398 0 N 3.864e+06 0.00e+00 a 0 -1 -1 208 0.843 4.105 0 N 2.126e+06 0.00e+00 a 0 -1 -1 209 0.832 4.288 0 N 2.004e+07 0.00e+00 a 0 22 18 210 0.771 4.017 0 N 1.894e+07 0.00e+00 a 0 10 5 211 2.859 4.912 0 N 6.006e+06 0.00e+00 a 0 59 58 212 2.663 4.913 0 N 1.477e+07 0.00e+00 a 0 60 58 213 4.916 8.116 0 N 1.996e+07 0.00e+00 a 0 58 57 214 4.612 7.825 0 N 1.135e+07 0.00e+00 a 0 12 17 215 4.483 7.891 0 N 5.544e+07 0.00e+00 a 0 89 88 216 4.481 7.803 0 N 5.860e+07 0.00e+00 a 0 89 96 217 4.481 7.081 0 N 2.170e+07 0.00e+00 a 0 89 92 218 4.351 8.095 0 N 4.602e+07 0.00e+00 a 0 61 68 219 4.277 8.122 0 N 2.667e+08 0.00e+00 a 0 50 57 220 4.230 7.939 0 N 8.538e+08 0.00e+00 a 0 83 82 221 4.215 8.153 0 N 3.427e+07 0.00e+00 a 0 24 32 222 4.217 7.075 0 N 4.506e+06 0.00e+00 a 0 -1 -1 223 4.200 6.831 0 N 2.334e+07 0.00e+00 a 0 -1 -1 224 4.154 8.094 0 N 5.940e+07 0.00e+00 a 0 69 68 225 4.155 7.855 0 N 6.759e+07 0.00e+00 a 0 69 74 226 4.013 8.215 0 N 8.943e+07 0.00e+00 a 0 5 11 227 4.013 7.758 0 N 4.181e+07 0.00e+00 a 0 5 4 228 4.009 7.939 0 N 2.711e+06 0.00e+00 a 0 5 23 229 3.933 7.513 0 N 7.007e+06 0.00e+00 a 0 3 106 230 3.918 8.004 0 N 4.034e+06 0.00e+00 a 0 3 1 231 3.906 7.250 0 N 1.263e+07 0.00e+00 a 0 3 15 232 3.886 7.865 0 N 1.465e+08 0.00e+00 a 0 34 35 233 3.885 7.374 0 N 2.254e+07 0.00e+00 a 0 33 47 234 3.886 7.320 0 N 2.319e+07 0.00e+00 a 0 -1 -1 235 3.882 8.139 0 N 2.012e+08 0.00e+00 a 0 67 57 236 3.881 7.827 0 N 8.133e+07 0.00e+00 a 0 3 17 237 3.875 7.133 0 N 3.826e+07 0.00e+00 a 0 34 31 238 3.873 6.798 0 N 1.611e+07 0.00e+00 a 0 66 93 239 3.872 6.721 0 N 3.392e+07 0.00e+00 a 0 -1 -1 240 3.840 7.699 0 N 1.867e+07 0.00e+00 a 0 -1 -1 241 3.843 7.027 0 N 9.850e+07 0.00e+00 a 0 -1 -1 242 3.841 6.857 0 N 1.986e+07 0.00e+00 a 0 -1 -1 243 3.832 7.939 0 N 2.199e+06 0.00e+00 a 0 -1 -1 244 3.766 8.014 0 N 3.538e+07 0.00e+00 a 0 2 1 245 3.763 7.758 0 N 1.979e+07 0.00e+00 a 0 2 4 246 3.329 6.773 0 N 3.781e+06 0.00e+00 a 0 -1 -1 247 3.286 6.974 0 N 5.724e+06 0.00e+00 a 0 -1 -1 248 3.273 7.605 0 N 2.675e+06 0.00e+00 a 0 -1 -1 249 3.236 8.214 0 N 2.179e+07 0.00e+00 a 0 13 11 250 3.237 7.834 0 N 1.013e+07 0.00e+00 a 0 13 17 251 3.231 7.246 0 N 2.454e+06 0.00e+00 a 0 13 15 252 3.149 7.836 0 N 1.034e+07 0.00e+00 a 0 14 17 253 3.146 8.213 0 N 4.899e+07 0.00e+00 a 0 14 11 254 3.147 7.232 0 N 6.675e+06 0.00e+00 a 0 14 15 255 3.140 7.119 0 N 2.555e+07 0.00e+00 a 0 30 31 256 3.082 8.066 0 N 2.421e+06 0.00e+00 a 0 -1 -1 257 3.019 6.779 0 N 3.442e+06 0.00e+00 a 0 90 94 258 3.017 7.899 0 N 5.031e+07 0.00e+00 a 0 90 88 259 3.017 7.080 0 N 5.870e+07 0.00e+00 a 0 90 95 260 2.970 7.387 0 N 3.345e+05 0.00e+00 a 0 56 47 261 2.937 7.900 0 N 7.264e+07 0.00e+00 a 0 91 88 262 2.937 7.081 0 N 4.600e+07 0.00e+00 a 0 105 92 263 2.860 7.856 0 N 1.224e+07 0.00e+00 a 0 59 74 264 2.858 8.118 0 N 8.307e+07 0.00e+00 a 0 59 57 265 2.664 8.119 0 N 7.523e+07 0.00e+00 a 0 60 57 266 2.332 7.369 0 N 1.508e+07 0.00e+00 a 0 45 47 267 2.318 7.916 0 N 1.177e+08 0.00e+00 a 0 46 41 268 2.302 8.112 0 N 1.935e+07 0.00e+00 a 0 62 68 269 2.301 7.472 0 N 1.078e+07 0.00e+00 a 0 62 80 270 2.084 7.919 0 N 1.002e+08 0.00e+00 a 0 43 41 271 2.026 7.634 0 N 6.862e+06 0.00e+00 a 0 -1 -1 272 2.011 8.023 0 N 6.770e+07 0.00e+00 a 0 -1 -1 273 1.972 8.110 0 N 3.546e+07 0.00e+00 a 0 65 68 274 1.966 7.916 0 N 1.509e+08 0.00e+00 a 0 44 41 275 1.885 7.931 0 N 8.795e+07 0.00e+00 a 0 -1 -1 276 1.810 8.097 0 N 1.137e+08 0.00e+00 a 0 70 68 277 1.810 7.858 0 N 5.391e+07 0.00e+00 a 0 25 35 278 1.764 7.941 0 N 9.924e+07 0.00e+00 a 0 -1 -1 279 1.744 7.755 0 N 7.437e+07 0.00e+00 a 0 6 4 280 1.697 7.968 0 N 8.284e+07 0.00e+00 a 0 51 49 281 1.692 8.113 0 N 8.936e+06 0.00e+00 a 0 71 68 282 1.611 7.825 0 N 1.066e+08 0.00e+00 a 0 103 96 283 1.555 7.829 0 N 5.058e+07 0.00e+00 a 0 19 17 284 1.438 8.097 0 N 4.691e+07 0.00e+00 a 0 73 68 285 1.600 7.936 0 N 6.659e+07 0.00e+00 a 0 28 23 286 1.389 7.366 0 N 1.057e+06 0.00e+00 a 0 37 47 287 1.382 7.063 0 N 7.551e+06 0.00e+00 a 0 -1 -1 288 1.370 7.875 0 N 1.349e+08 0.00e+00 a 0 37 35 289 1.365 7.967 0 N 3.173e+08 0.00e+00 a 0 40 38 290 1.351 7.214 0 N 2.020e+06 0.00e+00 a 0 -1 -1 291 1.280 7.753 0 N 1.153e+07 0.00e+00 a 0 8 4 292 1.230 6.880 0 N 5.012e+06 0.00e+00 a 0 -1 -1 293 1.199 6.727 0 N 4.306e+06 0.00e+00 a 0 -1 -1 294 1.191 8.275 0 N 7.697e+06 0.00e+00 a 0 -1 -1 295 1.090 7.756 0 N 2.494e+07 0.00e+00 a 0 7 4 296 0.902 8.039 0 N 1.780e+06 0.00e+00 a 0 21 1 297 0.835 7.849 0 N 1.569e+06 0.00e+00 a 0 22 17 298 0.829 7.934 0 N 2.476e+06 0.00e+00 a 0 22 23 299 0.763 8.214 0 N 1.445e+07 0.00e+00 a 0 9 11 300 0.762 7.762 0 N 2.860e+07 0.00e+00 a 0 9 4 301 0.754 7.520 0 N 3.902e+06 0.00e+00 a 0 -1 -1 302 0.754 7.196 0 N 5.526e+06 0.00e+00 a 0 -1 -1 303 0.749 7.011 0 N 2.721e+06 0.00e+00 a 0 -1 -1 304 8.093 4.358 0 N 2.228e+07 0.00e+00 a 0 68 61 305 8.154 4.200 0 N 1.662e+07 0.00e+00 a 0 32 24 306 8.097 4.155 0 N 6.454e+07 0.00e+00 a 0 68 69 307 7.240 3.245 0 N 9.555e+06 0.00e+00 a 0 15 13 308 7.080 3.033 0 N 8.965e+07 0.00e+00 a 0 95 90 309 8.216 7.743 0 N 3.473e+07 0.00e+00 a 0 11 4 310 7.974 1.651 0 N 5.969e+07 0.00e+00 a 0 49 51 311 7.901 3.024 0 N 2.998e+07 0.00e+00 a 0 88 90 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 2 H 1 H . 10000 . . . 20111 1 2 N 15 HN . 2700 . . . 20111 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $NMRPipe . . 20111 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 20111 _Spectral_peak_list.ID 2 _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.Experiment_ID 4 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 1 8.219 1.282 0 N 5.889e+06 0.00e+00 a 0 11 8 2 8.216 4.014 0 N 7.212e+07 0.00e+00 a 0 11 5 3 8.216 3.146 0 N 6.596e+07 0.00e+00 a 0 11 14 4 8.216 1.742 0 N 1.361e+07 0.00e+00 a 0 11 6 5 8.216 0.768 0 N 2.221e+07 0.00e+00 a 0 11 9 6 8.209 1.104 0 N 8.833e+05 0.00e+00 a 0 11 7 7 8.153 3.889 0 N 1.514e+08 0.00e+00 a 0 32 34 8 8.151 1.818 0 N 6.005e+07 0.00e+00 a 0 32 25 9 8.149 1.621 0 N 3.242e+07 0.00e+00 a 0 32 27 10 8.123 4.273 0 N 1.732e+08 0.00e+00 a 0 57 50 11 8.121 2.859 0 N 9.192e+07 0.00e+00 a 0 57 59 12 8.122 2.661 0 N 7.840e+07 0.00e+00 a 0 57 60 13 8.119 4.912 0 N 4.528e+06 0.00e+00 a 0 57 58 14 8.105 2.302 0 N 2.872e+07 0.00e+00 a 0 68 62 15 8.102 3.856 0 N 9.513e+06 0.00e+00 a 0 68 66 16 8.101 1.982 0 N 6.575e+07 0.00e+00 a 0 68 64 17 8.099 1.808 0 N 9.370e+07 0.00e+00 a 0 68 70 18 8.099 1.431 0 N 1.007e+08 0.00e+00 a 0 68 73 19 8.020 1.590 0 N 1.361e+06 0.00e+00 a 0 1 20 20 8.016 3.757 0 N 1.940e+07 0.00e+00 a 0 1 2 21 8.016 2.009 0 N 2.079e+07 0.00e+00 a 0 -1 -1 22 8.009 3.905 0 N 6.090e+06 0.00e+00 a 0 1 3 23 7.976 1.366 0 N 2.307e+08 0.00e+00 a 0 38 40 24 7.972 4.246 0 N 2.738e+08 0.00e+00 a 0 38 39 25 7.973 1.753 0 N 8.605e+07 0.00e+00 a 0 49 52 26 7.932 1.775 0 N 1.285e+08 0.00e+00 a 0 -1 -1 27 7.930 1.603 0 N 1.187e+08 0.00e+00 a 0 23 28 28 7.930 3.145 0 N 6.168e+06 0.00e+00 a 0 23 30 29 7.927 2.311 0 N 5.530e+07 0.00e+00 a 0 41 46 30 7.926 1.955 0 N 2.065e+08 0.00e+00 a 0 41 44 31 7.927 0.848 0 N 6.494e+06 0.00e+00 a 0 23 22 32 7.924 4.228 0 N 1.572e+08 0.00e+00 a 0 82 83 33 7.923 2.079 0 N 7.438e+07 0.00e+00 a 0 41 43 34 7.917 1.363 0 N 4.683e+07 0.00e+00 a 0 41 40 35 7.901 2.930 0 N 3.896e+07 0.00e+00 a 0 88 91 36 7.897 4.484 0 N 4.784e+06 0.00e+00 a 0 88 89 37 7.863 3.889 0 N 8.409e+07 0.00e+00 a 0 35 34 38 7.863 1.373 0 N 1.417e+08 0.00e+00 a 0 35 37 39 7.859 4.182 0 N 1.323e+08 0.00e+00 a 0 74 75 40 7.861 2.857 0 N 8.216e+06 0.00e+00 a 0 74 59 41 7.861 2.669 0 N 1.506e+06 0.00e+00 a 0 74 60 42 7.859 2.090 0 N 5.062e+07 0.00e+00 a 0 74 76 43 7.859 1.812 0 N 3.974e+07 0.00e+00 a 0 74 70 44 7.859 2.298 0 N 4.794e+07 0.00e+00 a 0 74 79 45 7.859 1.989 0 N 9.588e+07 0.00e+00 a 0 74 77 46 7.836 4.296 0 N 3.894e+07 0.00e+00 a 0 17 18 47 7.832 3.231 0 N 1.111e+07 0.00e+00 a 0 17 13 48 7.832 3.153 0 N 1.432e+07 0.00e+00 a 0 17 14 49 7.832 1.595 0 N 1.785e+08 0.00e+00 a 0 17 20 50 7.833 0.838 0 N 9.992e+06 0.00e+00 a 0 17 22 51 7.802 2.963 0 N 1.242e+07 0.00e+00 a 0 96 105 52 7.801 4.478 0 N 1.626e+07 0.00e+00 a 0 96 89 53 7.800 4.198 0 N 1.362e+07 0.00e+00 a 0 96 97 54 7.800 1.789 0 N 1.464e+07 0.00e+00 a 0 96 99 55 17.000 0.000 0 N 0.000e+00 0.00e+00 - 0 96 -1 56 7.758 4.011 0 N 2.914e+07 0.00e+00 a 0 4 5 57 7.758 3.894 0 N 5.659e+07 0.00e+00 a 0 4 3 58 7.758 3.758 0 N 3.132e+07 0.00e+00 a 0 4 2 59 7.758 1.743 0 N 6.027e+07 0.00e+00 a 0 4 6 60 7.759 1.277 0 N 1.221e+07 0.00e+00 a 0 4 8 61 7.758 1.093 0 N 2.799e+07 0.00e+00 a 0 4 7 62 7.758 0.766 0 N 3.267e+07 0.00e+00 a 0 4 9 63 7.471 2.299 0 N 1.006e+07 0.00e+00 a 0 80 62 64 7.383 2.331 0 N 6.148e+06 0.00e+00 a 0 47 45 65 7.243 3.138 0 N 2.228e+07 0.00e+00 a 0 15 14 66 7.240 0.762 0 N 1.924e+06 0.00e+00 a 0 15 9 67 7.116 1.834 0 N 4.728e+06 0.00e+00 a 0 31 25 68 7.117 3.141 0 N 2.900e+07 0.00e+00 a 0 31 30 69 7.117 1.625 0 N 1.159e+07 0.00e+00 a 0 31 28 70 7.087 4.185 0 N 5.551e+06 0.00e+00 a 0 92 75 71 7.089 1.337 0 N 2.117e+06 0.00e+00 a 0 92 101 72 7.084 2.310 0 N 3.099e+06 0.00e+00 a 0 92 78 73 7.082 1.944 0 N 4.870e+06 0.00e+00 a 0 92 84 74 7.081 4.485 0 N 7.258e+06 0.00e+00 a 0 92 89 75 7.079 2.926 0 N 1.043e+08 0.00e+00 a 0 95 91 76 7.062 0.840 0 N 1.225e+06 0.00e+00 a 0 -1 -1 77 6.845 4.194 0 N 6.835e+06 0.00e+00 a 0 -1 -1 78 6.791 2.337 0 N 2.584e+06 0.00e+00 a 0 -1 -1 79 6.780 4.181 0 N 4.513e+06 0.00e+00 a 0 93 75 80 6.779 3.001 0 N 7.538e+06 0.00e+00 a 0 94 90 81 6.779 2.936 0 N 3.657e+06 0.00e+00 a 0 94 91 82 6.778 2.266 0 N 8.003e+05 0.00e+00 a 0 93 87 83 6.773 2.662 0 N 1.393e+06 0.00e+00 a 0 93 60 84 6.761 4.093 0 N 2.863e+06 0.00e+00 a 0 -1 -1 85 6.760 3.746 0 N 2.561e+06 0.00e+00 a 0 93 2 86 6.643 2.299 0 N 7.606e+06 0.00e+00 a 0 81 78 87 8.219 7.245 0 N 4.007e+06 0.00e+00 a 0 11 15 88 8.216 7.827 0 N 6.593e+07 0.00e+00 a 0 11 17 89 8.153 7.871 0 N 7.768e+07 0.00e+00 a 0 32 35 90 8.152 7.926 0 N 7.547e+07 0.00e+00 a 0 32 23 91 8.098 7.855 0 N 9.303e+07 0.00e+00 a 0 68 74 92 8.016 7.743 0 N 1.179e+06 0.00e+00 a 0 1 4 93 7.900 7.073 0 N 2.568e+07 0.00e+00 a 0 88 92 94 7.858 8.123 0 N 5.156e+07 0.00e+00 a 0 74 68 95 7.834 8.211 0 N 3.291e+07 0.00e+00 a 0 17 11 96 7.801 7.103 0 N 5.335e+06 0.00e+00 a 0 96 92 97 7.801 6.847 0 N 1.098e+07 0.00e+00 a 0 -1 -1 98 7.799 6.774 0 N 3.282e+06 0.00e+00 a 0 96 93 99 7.757 8.209 0 N 8.457e+06 0.00e+00 a 0 4 11 100 7.471 6.644 0 N 6.431e+08 0.00e+00 a 0 80 81 101 7.411 7.121 0 N 8.050e+06 0.00e+00 a 0 47 31 102 7.383 6.609 0 N 6.614e+08 0.00e+00 a 0 47 48 103 7.243 8.233 0 N 2.305e+06 0.00e+00 a 0 15 11 104 7.084 7.915 0 N 1.266e+07 0.00e+00 a 0 92 82 105 7.078 6.780 0 N 2.038e+08 0.00e+00 a 0 92 93 106 6.844 7.796 0 N 8.095e+06 0.00e+00 a 0 -1 -1 107 6.852 6.766 0 N 6.447e+08 0.00e+00 a 0 -1 -1 108 6.779 7.076 0 N 1.659e+08 0.00e+00 a 0 93 92 109 6.777 6.847 0 N 1.983e+09 0.00e+00 a 0 -1 -1 110 6.768 7.797 0 N 1.584e+06 0.00e+00 a 0 93 96 111 6.644 7.469 0 N 9.612e+08 0.00e+00 a 0 81 80 112 6.610 7.383 0 N 1.004e+09 0.00e+00 a 0 48 47 113 4.917 3.872 0 N 9.089e+07 0.00e+00 a 0 58 66 114 4.914 2.857 0 N 3.692e+07 0.00e+00 a 0 58 59 115 4.914 2.663 0 N 4.423e+07 0.00e+00 a 0 58 60 116 4.916 1.994 0 N 1.340e+07 0.00e+00 a 0 58 64 117 4.480 3.009 0 N 3.084e+07 0.00e+00 a 0 89 90 118 4.349 2.295 0 N 8.224e+07 0.00e+00 a 0 61 63 119 4.349 1.972 0 N 8.124e+07 0.00e+00 a 0 61 65 120 4.296 0.830 0 N 4.681e+07 0.00e+00 a 0 18 22 121 4.294 1.582 0 N 1.190e+08 0.00e+00 a 0 18 20 122 4.277 1.751 0 N 1.042e+08 0.00e+00 a 0 50 52 123 4.248 2.323 0 N 6.140e+07 0.00e+00 a 0 42 46 124 4.250 2.075 0 N 8.854e+07 0.00e+00 a 0 42 43 125 4.234 1.367 0 N 3.084e+08 0.00e+00 a 0 39 40 126 4.223 2.958 0 N 1.172e+07 0.00e+00 a 0 97 105 127 4.216 3.127 0 N 1.116e+07 0.00e+00 a 0 24 30 128 4.217 1.967 0 N 1.591e+08 0.00e+00 a 0 75 77 129 4.216 1.867 0 N 1.286e+08 0.00e+00 a 0 -1 -1 130 4.208 2.288 0 N 8.870e+07 0.00e+00 a 0 75 79 131 4.211 1.633 0 N 7.220e+07 0.00e+00 a 0 97 103 132 4.208 2.094 0 N 9.116e+07 0.00e+00 a 0 75 76 133 4.156 2.967 0 N 6.921e+06 0.00e+00 a 0 69 91 134 4.154 1.810 0 N 1.353e+08 0.00e+00 a 0 69 70 135 4.154 1.681 0 N 4.753e+06 0.00e+00 a 0 69 71 136 4.154 1.421 0 N 5.522e+07 0.00e+00 a 0 69 73 137 4.153 1.997 0 N 3.171e+06 0.00e+00 a 0 69 64 138 4.016 3.152 0 N 2.992e+06 0.00e+00 a 0 5 30 139 4.013 1.745 0 N 6.216e+07 0.00e+00 a 0 5 6 140 4.013 1.273 0 N 7.200e+06 0.00e+00 a 0 5 8 141 4.012 1.084 0 N 6.086e+06 0.00e+00 a 0 5 7 142 4.013 0.768 0 N 3.784e+07 0.00e+00 a 0 5 10 143 3.137 1.845 0 N 2.886e+07 0.00e+00 a 0 29 25 144 3.137 1.786 0 N 3.538e+07 0.00e+00 a 0 29 25 145 3.137 1.622 0 N 1.032e+08 0.00e+00 a 0 29 27 146 3.038 1.164 0 N 3.195e+06 0.00e+00 a 0 -1 -1 147 2.961 1.789 0 N 4.445e+07 0.00e+00 a 0 104 98 148 2.956 1.679 0 N 4.413e+07 0.00e+00 a 0 55 51 149 2.956 1.430 0 N 1.920e+07 0.00e+00 a 0 55 73 150 2.930 1.348 0 N 7.260e+06 0.00e+00 a 0 55 53 151 2.912 1.591 0 N 1.005e+07 0.00e+00 a 0 -1 -1 152 2.855 1.993 0 N 1.841e+07 0.00e+00 a 0 -1 -1 153 2.855 2.301 0 N 9.426e+06 0.00e+00 a 0 -1 -1 154 2.856 2.661 0 N 4.918e+08 0.00e+00 a 0 59 60 155 2.665 2.858 0 N 4.681e+08 0.00e+00 a 0 60 59 156 2.319 2.075 0 N 1.836e+08 0.00e+00 a 0 45 43 157 2.297 1.966 0 N 7.886e+08 0.00e+00 a 0 46 44 158 2.092 2.313 0 N 1.252e+08 0.00e+00 a 0 43 45 159 1.964 2.298 0 N 6.202e+08 0.00e+00 a 0 44 46 160 1.806 1.433 0 N 1.822e+08 0.00e+00 a 0 70 72 161 1.742 0.771 0 N 7.265e+07 0.00e+00 a 0 6 10 162 1.740 1.094 0 N 2.083e+07 0.00e+00 a 0 6 7 163 1.679 1.420 0 N 6.190e+07 0.00e+00 a 0 71 73 164 1.611 1.349 0 N 1.036e+07 0.00e+00 a 0 102 100 165 1.550 0.858 0 N 1.107e+08 0.00e+00 a 0 19 22 166 1.423 1.799 0 N 2.182e+08 0.00e+00 a 0 72 70 167 1.414 1.679 0 N 1.043e+08 0.00e+00 a 0 73 71 168 1.274 1.092 0 N 6.872e+07 0.00e+00 a 0 8 7 169 1.272 0.780 0 N 2.332e+07 0.00e+00 a 0 8 9 170 1.100 1.745 0 N 1.524e+07 0.00e+00 a 0 7 6 171 1.099 1.287 0 N 3.129e+07 0.00e+00 a 0 7 8 172 0.891 1.575 0 N 8.350e+07 0.00e+00 a 0 21 19 173 0.830 1.578 0 N 6.783e+07 0.00e+00 a 0 22 19 174 0.834 2.016 0 N 5.466e+06 0.00e+00 a 0 -1 -1 175 0.794 1.293 0 N 2.282e+07 0.00e+00 a 0 9 8 176 0.771 1.740 0 N 7.183e+07 0.00e+00 a 0 10 6 177 2.085 2.861 0 N 3.576e+06 0.00e+00 a 0 -1 -1 178 1.845 3.137 0 N 2.202e+07 0.00e+00 a 0 26 30 179 1.811 2.964 0 N 2.948e+07 0.00e+00 a 0 -1 -1 180 1.761 3.137 0 N 2.867e+07 0.00e+00 a 0 -1 -1 181 1.679 2.957 0 N 7.421e+07 0.00e+00 a 0 51 55 182 1.645 3.136 0 N 6.866e+07 0.00e+00 a 0 28 30 183 1.607 2.883 0 N 5.367e+06 0.00e+00 a 0 -1 -1 184 1.603 3.139 0 N 4.870e+07 0.00e+00 a 0 28 30 185 1.417 2.948 0 N 2.200e+07 0.00e+00 a 0 -1 -1 186 1.355 2.892 0 N 1.012e+07 0.00e+00 a 0 -1 -1 187 1.354 3.122 0 N 4.899e+06 0.00e+00 a 0 -1 -1 188 1.353 2.951 0 N 9.017e+06 0.00e+00 a 0 53 55 189 1.342 3.276 0 N 6.636e+06 0.00e+00 a 0 -1 -1 190 1.235 3.318 0 N 5.759e+06 0.00e+00 a 0 -1 -1 191 1.202 3.408 0 N 7.162e+06 0.00e+00 a 0 -1 -1 192 2.298 4.214 0 N 7.137e+07 0.00e+00 a 0 79 75 193 2.297 4.346 0 N 5.162e+07 0.00e+00 a 0 63 61 194 2.088 4.221 0 N 7.774e+07 0.00e+00 a 0 76 75 195 1.994 4.356 0 N 2.088e+07 0.00e+00 a 0 65 61 196 1.971 4.221 0 N 1.226e+08 0.00e+00 a 0 77 75 197 1.811 4.160 0 N 1.044e+08 0.00e+00 a 0 70 69 198 1.769 4.238 0 N 2.940e+07 0.00e+00 a 0 52 39 199 1.746 4.014 0 N 4.072e+07 0.00e+00 a 0 6 5 200 1.695 4.271 0 N 3.595e+07 0.00e+00 a 0 51 50 201 1.654 4.209 0 N 2.922e+07 0.00e+00 a 0 103 97 202 1.606 4.275 0 N 6.569e+07 0.00e+00 a 0 20 18 203 1.415 4.153 0 N 7.029e+07 0.00e+00 a 0 73 69 204 1.380 3.970 0 N 7.791e+06 0.00e+00 a 0 -1 -1 205 1.366 4.232 0 N 1.899e+08 0.00e+00 a 0 40 39 206 0.901 4.166 0 N 1.252e+06 0.00e+00 a 0 -1 -1 207 0.890 4.398 0 N 3.864e+06 0.00e+00 a 0 -1 -1 208 0.843 4.105 0 N 2.126e+06 0.00e+00 a 0 -1 -1 209 0.832 4.288 0 N 2.004e+07 0.00e+00 a 0 22 18 210 0.771 4.017 0 N 1.894e+07 0.00e+00 a 0 10 5 211 2.859 4.912 0 N 6.006e+06 0.00e+00 a 0 59 58 212 2.663 4.913 0 N 1.477e+07 0.00e+00 a 0 60 58 213 4.916 8.116 0 N 1.996e+07 0.00e+00 a 0 58 57 214 4.612 7.825 0 N 1.135e+07 0.00e+00 a 0 12 17 215 4.483 7.891 0 N 5.544e+07 0.00e+00 a 0 89 88 216 4.481 7.803 0 N 5.860e+07 0.00e+00 a 0 89 96 217 4.481 7.081 0 N 2.170e+07 0.00e+00 a 0 89 92 218 4.351 8.095 0 N 4.602e+07 0.00e+00 a 0 61 68 219 4.277 8.122 0 N 2.667e+08 0.00e+00 a 0 50 57 220 4.230 7.939 0 N 8.538e+08 0.00e+00 a 0 83 82 221 4.215 8.153 0 N 3.427e+07 0.00e+00 a 0 24 32 222 4.217 7.075 0 N 4.506e+06 0.00e+00 a 0 -1 -1 223 4.200 6.831 0 N 2.334e+07 0.00e+00 a 0 -1 -1 224 4.154 8.094 0 N 5.940e+07 0.00e+00 a 0 69 68 225 4.155 7.855 0 N 6.759e+07 0.00e+00 a 0 69 74 226 4.013 8.215 0 N 8.943e+07 0.00e+00 a 0 5 11 227 4.013 7.758 0 N 4.181e+07 0.00e+00 a 0 5 4 228 4.009 7.939 0 N 2.711e+06 0.00e+00 a 0 5 23 229 3.933 7.513 0 N 7.007e+06 0.00e+00 a 0 3 106 230 3.918 8.004 0 N 4.034e+06 0.00e+00 a 0 3 1 231 3.906 7.250 0 N 1.263e+07 0.00e+00 a 0 3 15 232 3.886 7.865 0 N 1.465e+08 0.00e+00 a 0 34 35 233 3.885 7.374 0 N 2.254e+07 0.00e+00 a 0 33 47 234 3.886 7.320 0 N 2.319e+07 0.00e+00 a 0 -1 -1 235 3.882 8.139 0 N 2.012e+08 0.00e+00 a 0 67 57 236 3.881 7.827 0 N 8.133e+07 0.00e+00 a 0 3 17 237 3.875 7.133 0 N 3.826e+07 0.00e+00 a 0 34 31 238 3.873 6.798 0 N 1.611e+07 0.00e+00 a 0 66 93 239 3.872 6.721 0 N 3.392e+07 0.00e+00 a 0 -1 -1 240 3.840 7.699 0 N 1.867e+07 0.00e+00 a 0 -1 -1 241 3.843 7.027 0 N 9.850e+07 0.00e+00 a 0 -1 -1 242 3.841 6.857 0 N 1.986e+07 0.00e+00 a 0 -1 -1 243 3.832 7.939 0 N 2.199e+06 0.00e+00 a 0 -1 -1 244 3.766 8.014 0 N 3.538e+07 0.00e+00 a 0 2 1 245 3.763 7.758 0 N 1.979e+07 0.00e+00 a 0 2 4 246 3.329 6.773 0 N 3.781e+06 0.00e+00 a 0 -1 -1 247 3.286 6.974 0 N 5.724e+06 0.00e+00 a 0 -1 -1 248 3.273 7.605 0 N 2.675e+06 0.00e+00 a 0 -1 -1 249 3.236 8.214 0 N 2.179e+07 0.00e+00 a 0 13 11 250 3.237 7.834 0 N 1.013e+07 0.00e+00 a 0 13 17 251 3.231 7.246 0 N 2.454e+06 0.00e+00 a 0 13 15 252 3.149 7.836 0 N 1.034e+07 0.00e+00 a 0 14 17 253 3.146 8.213 0 N 4.899e+07 0.00e+00 a 0 14 11 254 3.147 7.232 0 N 6.675e+06 0.00e+00 a 0 14 15 255 3.140 7.119 0 N 2.555e+07 0.00e+00 a 0 30 31 256 3.082 8.066 0 N 2.421e+06 0.00e+00 a 0 -1 -1 257 3.019 6.779 0 N 3.442e+06 0.00e+00 a 0 90 94 258 3.017 7.899 0 N 5.031e+07 0.00e+00 a 0 90 88 259 3.017 7.080 0 N 5.870e+07 0.00e+00 a 0 90 95 260 2.970 7.387 0 N 3.345e+05 0.00e+00 a 0 56 47 261 2.937 7.900 0 N 7.264e+07 0.00e+00 a 0 91 88 262 2.937 7.081 0 N 4.600e+07 0.00e+00 a 0 105 92 263 2.860 7.856 0 N 1.224e+07 0.00e+00 a 0 59 74 264 2.858 8.118 0 N 8.307e+07 0.00e+00 a 0 59 57 265 2.664 8.119 0 N 7.523e+07 0.00e+00 a 0 60 57 266 2.332 7.369 0 N 1.508e+07 0.00e+00 a 0 45 47 267 2.318 7.916 0 N 1.177e+08 0.00e+00 a 0 46 41 268 2.302 8.112 0 N 1.935e+07 0.00e+00 a 0 62 68 269 2.301 7.472 0 N 1.078e+07 0.00e+00 a 0 62 80 270 2.084 7.919 0 N 1.002e+08 0.00e+00 a 0 43 41 271 2.026 7.634 0 N 6.862e+06 0.00e+00 a 0 -1 -1 272 2.011 8.023 0 N 6.770e+07 0.00e+00 a 0 -1 -1 273 1.972 8.110 0 N 3.546e+07 0.00e+00 a 0 65 68 274 1.966 7.916 0 N 1.509e+08 0.00e+00 a 0 44 41 275 1.885 7.931 0 N 8.795e+07 0.00e+00 a 0 -1 -1 276 1.810 8.097 0 N 1.137e+08 0.00e+00 a 0 70 68 277 1.810 7.858 0 N 5.391e+07 0.00e+00 a 0 25 35 278 1.764 7.941 0 N 9.924e+07 0.00e+00 a 0 -1 -1 279 1.744 7.755 0 N 7.437e+07 0.00e+00 a 0 6 4 280 1.697 7.968 0 N 8.284e+07 0.00e+00 a 0 51 49 281 1.692 8.113 0 N 8.936e+06 0.00e+00 a 0 71 68 282 1.611 7.825 0 N 1.066e+08 0.00e+00 a 0 103 96 283 1.555 7.829 0 N 5.058e+07 0.00e+00 a 0 19 17 284 1.438 8.097 0 N 4.691e+07 0.00e+00 a 0 73 68 285 1.600 7.936 0 N 6.659e+07 0.00e+00 a 0 28 23 286 1.389 7.366 0 N 1.057e+06 0.00e+00 a 0 37 47 287 1.382 7.063 0 N 7.551e+06 0.00e+00 a 0 -1 -1 288 1.370 7.875 0 N 1.349e+08 0.00e+00 a 0 37 35 289 1.365 7.967 0 N 3.173e+08 0.00e+00 a 0 40 38 290 1.351 7.214 0 N 2.020e+06 0.00e+00 a 0 -1 -1 291 1.280 7.753 0 N 1.153e+07 0.00e+00 a 0 8 4 292 1.230 6.880 0 N 5.012e+06 0.00e+00 a 0 -1 -1 293 1.199 6.727 0 N 4.306e+06 0.00e+00 a 0 -1 -1 294 1.191 8.275 0 N 7.697e+06 0.00e+00 a 0 -1 -1 295 1.090 7.756 0 N 2.494e+07 0.00e+00 a 0 7 4 296 0.902 8.039 0 N 1.780e+06 0.00e+00 a 0 21 1 297 0.835 7.849 0 N 1.569e+06 0.00e+00 a 0 22 17 298 0.829 7.934 0 N 2.476e+06 0.00e+00 a 0 22 23 299 0.763 8.214 0 N 1.445e+07 0.00e+00 a 0 9 11 300 0.762 7.762 0 N 2.860e+07 0.00e+00 a 0 9 4 301 0.754 7.520 0 N 3.902e+06 0.00e+00 a 0 -1 -1 302 0.754 7.196 0 N 5.526e+06 0.00e+00 a 0 -1 -1 303 0.749 7.011 0 N 2.721e+06 0.00e+00 a 0 -1 -1 304 8.093 4.358 0 N 2.228e+07 0.00e+00 a 0 68 61 305 8.154 4.200 0 N 1.662e+07 0.00e+00 a 0 32 24 306 8.097 4.155 0 N 6.454e+07 0.00e+00 a 0 68 69 307 7.240 3.245 0 N 9.555e+06 0.00e+00 a 0 15 13 308 7.080 3.033 0 N 8.965e+07 0.00e+00 a 0 95 90 309 8.216 7.743 0 N 3.473e+07 0.00e+00 a 0 11 4 310 7.974 1.651 0 N 5.969e+07 0.00e+00 a 0 49 51 311 7.901 3.024 0 N 2.998e+07 0.00e+00 a 0 88 90 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 2 H 1 2k . 10000 . . . 20111 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $NMRView . . 20111 2 stop_ save_