# Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 1 4.491 4.482 55.974 1 U 2.294e+05 0.00e+00 m 0 4 4 3 0 2 4.491 2.097 55.974 1 U 2.952e+03 0.00e+00 m 0 4 6 3 0 3 4.491 1.995 55.974 1 U 2.221e+03 0.00e+00 m 0 4 7 3 0 4 4.491 2.594 55.974 1 U 1.245e+03 0.00e+00 m 0 4 10 3 0 5 4.491 2.542 55.974 1 U 1.957e+03 0.00e+00 m 0 4 11 3 0 6 2.106 4.482 32.803 1 U 8.490e+02 0.00e+00 m 0 6 4 5 0 7 2.106 2.097 32.803 1 U 1.063e+05 0.00e+00 m 0 6 6 5 0 8 2.106 1.995 32.803 1 U 9.384e+04 0.00e+00 m 0 6 7 5 0 9 2.106 2.594 32.803 1 U 5.616e+03 0.00e+00 m 0 6 10 5 0 10 2.106 2.542 32.803 1 U 8.305e+03 0.00e+00 m 0 6 11 5 0 11 2.004 4.482 32.803 1 U 7.720e+02 0.00e+00 m 0 7 4 5 0 12 2.004 2.097 32.803 1 U 1.014e+05 0.00e+00 m 0 7 6 5 0 13 2.004 1.995 32.803 1 U 1.085e+05 0.00e+00 m 0 7 7 5 0 14 2.004 2.594 32.803 1 U 4.766e+03 0.00e+00 m 0 7 10 5 0 15 2.004 2.542 32.803 1 U 5.511e+03 0.00e+00 m 0 7 11 5 0 16 2.603 4.482 32.462 1 U 5.630e+02 0.00e+00 m 0 10 4 9 0 17 2.603 2.097 32.462 2 U 1.316e+04 0.00e+00 m 0 142 139 140 0 18 2.603 1.995 32.462 1 U 9.994e+03 0.00e+00 m 0 10 7 9 0 19 2.603 2.594 32.462 1 U 1.345e+05 0.00e+00 m 0 10 10 9 0 20 2.603 2.542 32.462 1 U 1.582e+05 0.00e+00 m 0 10 11 9 0 21 2.551 4.482 32.462 1 U 6.280e+02 0.00e+00 m 0 11 4 9 0 22 2.551 2.097 32.462 1 U 1.046e+04 0.00e+00 m 0 11 6 9 0 23 2.551 1.995 32.462 1 U 8.487e+03 0.00e+00 m 0 11 7 9 0 24 2.551 2.594 32.462 1 U 1.274e+05 0.00e+00 m 0 11 10 9 0 25 2.551 2.542 32.462 1 U 1.256e+05 0.00e+00 m 0 11 11 9 0 26 4.310 4.301 52.927 1 U 1.815e+05 0.00e+00 m 0 22 22 21 0 27 4.310 1.377 52.927 1 U 8.907e+03 0.00e+00 m 0 22 23 21 0 28 1.386 4.301 60.732 1 U 7.669e+03 0.00e+00 m 0 23 22 24 0 29 1.386 1.377 60.732 1 U 6.756e+05 0.00e+00 m 0 23 23 24 0 30 4.648 4.639 54.704 1 U 1.391e+05 0.00e+00 m 0 32 32 31 0 31 4.648 2.684 54.704 1 U 7.782e+03 0.00e+00 m 0 32 36 31 0 32 2.693 4.639 41.692 1 U 2.988e+03 0.00e+00 m 0 36 32 33 0 33 2.693 2.684 41.692 1 U 1.112e+05 0.00e+00 m 0 36 36 33 0 34 4.335 4.326 61.613 1 U 1.376e+05 0.00e+00 m 0 42 42 41 0 35 4.335 4.321 61.613 1 U 1.376e+05 0.00e+00 m 0 42 42 41 0 36 4.335 1.174 61.613 1 U 7.976e+03 0.00e+00 m 0 42 45 41 0 37 4.330 4.326 28.595 1 U 1.503e+05 0.00e+00 m 0 44 44 43 0 38 4.330 4.321 28.595 1 U 1.503e+05 0.00e+00 m 0 44 44 43 0 39 4.330 1.174 28.595 1 U 1.552e+04 0.00e+00 m 0 44 45 43 0 40 1.183 4.326 63.231 1 U 2.429e+04 0.00e+00 m 0 45 44 47 0 41 1.183 4.321 63.231 1 U 2.429e+04 0.00e+00 m 0 45 44 47 0 42 1.183 1.174 63.231 1 U 8.751e+05 0.00e+00 m 0 45 45 47 0 43 3.918 3.909 45.500 1 U 6.026e+04 0.00e+00 m 0 56 56 54 0 44 4.437 4.428 57.175 1 U 3.190e+04 0.00e+00 m 0 62 62 61 0 45 4.437 1.913 57.175 1 U 5.937e+03 0.00e+00 m 0 62 66 61 0 46 4.437 2.187 57.175 1 U 3.777e+03 0.00e+00 m 0 62 70 61 0 47 1.922 4.428 30.934 1 U 3.590e+03 0.00e+00 m 0 66 62 63 0 48 1.922 1.913 30.934 1 U 8.882e+04 0.00e+00 m 0 66 66 63 0 49 1.922 2.187 30.934 1 U 1.181e+04 0.00e+00 m 0 66 70 63 0 50 2.196 4.428 36.688 1 U 4.391e+03 0.00e+00 m 0 70 62 67 0 51 2.196 1.913 36.688 1 U 1.691e+04 0.00e+00 m 0 70 66 67 0 52 2.196 2.187 36.688 1 U 1.409e+05 0.00e+00 m 0 70 70 67 0 53 4.486 4.477 60.585 1 U 1.613e+04 0.00e+00 m 0 76 76 75 0 54 4.486 1.873 60.585 1 U 3.669e+03 0.00e+00 m 0 76 78 75 0 55 4.486 0.294 60.585 1 U 3.618e+03 0.00e+00 m 0 76 79 75 0 56 4.486 0.491 60.585 1 U 9.740e+02 0.00e+00 m 0 76 80 75 0 57 1.882 4.477 34.225 1 U 3.024e+03 0.00e+00 m 0 78 76 77 0 58 1.882 1.873 34.225 1 U 2.548e+04 0.00e+00 m 0 78 78 77 0 59 1.882 0.294 34.225 1 U 5.768e+03 0.00e+00 m 0 78 79 77 0 60 1.882 0.491 34.225 1 U 4.897e+03 0.00e+00 m 0 78 80 77 0 61 0.303 4.477 63.555 1 U 6.443e+03 0.00e+00 m 0 79 76 81 0 62 0.303 1.873 63.555 1 U 9.180e+03 0.00e+00 m 0 79 78 81 0 63 0.303 0.294 63.555 1 U 1.900e+05 0.00e+00 m 0 79 79 81 0 64 0.303 0.491 63.555 1 U 1.595e+04 0.00e+00 m 0 79 80 81 0 65 0.500 4.477 60.965 1 U 2.542e+03 0.00e+00 m 0 80 76 85 0 66 0.500 1.873 60.965 1 U 5.889e+03 0.00e+00 m 0 80 78 85 0 67 0.500 0.294 60.965 1 U 1.285e+04 0.00e+00 m 0 80 79 85 0 68 0.500 0.491 60.965 1 U 9.294e+04 0.00e+00 m 0 80 80 85 0 69 6.216 6.207 54.043 1 U 6.516e+03 0.00e+00 m 0 94 94 93 0 70 6.216 2.384 54.043 1 U 7.620e+02 0.00e+00 m 0 94 96 93 0 71 6.216 2.238 54.043 1 U 1.327e+03 0.00e+00 m 0 94 97 93 0 72 6.216 2.134 54.043 1 U 3.908e+03 0.00e+00 m 0 94 102 93 0 73 2.393 6.207 32.920 1 U 9.770e+02 0.00e+00 m 0 96 94 95 0 74 2.393 2.384 32.920 1 U 2.304e+04 0.00e+00 m 0 96 96 95 0 75 2.393 2.238 32.920 1 U 1.582e+04 0.00e+00 m 0 96 97 95 0 76 2.393 2.134 32.920 1 U 8.430e+03 0.00e+00 m 0 96 102 95 0 77 2.247 6.207 32.920 1 U 9.070e+02 0.00e+00 m 0 97 94 95 0 78 2.247 2.384 32.920 1 U 1.176e+04 0.00e+00 m 0 97 96 95 0 79 2.247 2.238 32.920 1 U 2.073e+04 0.00e+00 m 0 97 97 95 0 80 2.247 2.134 32.920 1 U 8.623e+03 0.00e+00 m 0 97 102 95 0 81 2.143 6.207 34.422 1 U 1.826e+03 0.00e+00 m 0 102 94 99 0 82 2.143 2.384 34.422 1 U 5.254e+03 0.00e+00 m 0 102 96 99 0 83 2.143 2.238 34.422 1 U 5.174e+03 0.00e+00 m 0 102 97 99 0 84 2.143 2.134 34.422 1 U 1.691e+04 0.00e+00 m 0 102 102 99 0 85 5.018 5.010 57.405 1 U 5.841e+03 0.00e+00 m 0 112 112 111 0 86 5.018 3.081 57.405 1 U 2.383e+03 0.00e+00 m 0 112 114 111 0 87 5.018 2.936 57.405 1 U 1.339e+03 0.00e+00 m 0 112 115 111 0 88 3.090 5.010 41.543 1 U 8.730e+02 0.00e+00 m 0 114 112 113 0 89 3.090 3.081 41.543 1 U 4.260e+03 0.00e+00 m 0 114 114 113 0 90 3.090 2.936 41.543 1 U 3.169e+03 0.00e+00 m 0 114 115 113 0 91 2.945 5.010 41.543 1 U 1.229e+03 0.00e+00 m 0 115 112 113 0 92 2.945 3.081 41.543 1 U 3.333e+03 0.00e+00 m 0 115 114 113 0 93 2.945 2.936 41.543 1 U 2.282e+04 0.00e+00 m 0 115 115 113 0 94 5.829 5.820 53.841 1 U 8.067e+03 0.00e+00 m 0 135 135 134 0 95 5.829 2.113 53.841 1 U 3.462e+03 0.00e+00 m 0 135 139 134 0 96 5.829 2.583 53.841 1 U 1.610e+03 0.00e+00 m 0 135 142 134 0 97 2.122 5.820 35.950 1 U 2.403e+03 0.00e+00 m 0 139 135 136 0 98 2.122 2.113 35.950 1 U 3.004e+04 0.00e+00 m 0 139 139 136 0 99 2.122 2.583 35.950 1 U 3.959e+03 0.00e+00 m 0 139 142 136 0 100 2.592 5.820 32.480 1 U 1.536e+03 0.00e+00 m 0 142 135 140 0 101 2.592 2.113 32.480 1 U 9.794e+03 0.00e+00 m 0 142 139 140 0 102 2.592 2.583 32.480 1 U 1.542e+05 0.00e+00 m 0 142 142 140 0 103 5.137 5.128 53.844 1 U 1.261e+04 0.00e+00 m 0 153 153 152 0 104 5.137 2.062 53.844 1 U 2.490e+03 0.00e+00 m 0 153 155 152 0 105 5.137 1.841 53.844 1 U 1.271e+03 0.00e+00 m 0 153 156 152 0 106 5.137 1.652 53.844 1 U 2.451e+03 0.00e+00 m 0 153 165 152 0 107 5.137 2.979 53.844 1 U 7.290e+02 0.00e+00 m 0 153 169 152 0 108 2.071 5.128 37.335 1 U 1.219e+03 0.00e+00 m 0 155 153 154 0 109 2.071 2.062 37.335 1 U 1.248e+04 0.00e+00 m 0 155 155 154 0 110 2.071 1.841 37.335 1 U 9.316e+03 0.00e+00 m 0 155 156 154 0 111 2.071 1.652 37.335 1 U 5.335e+03 0.00e+00 m 0 155 165 154 0 112 2.071 2.979 37.335 1 U 7.810e+02 0.00e+00 m 0 155 169 154 0 113 1.849 5.128 37.335 1 U 1.688e+03 0.00e+00 m 0 156 153 154 0 114 1.849 2.062 37.335 1 U 1.025e+04 0.00e+00 m 0 156 155 154 0 115 1.849 1.841 37.335 1 U 2.140e+04 0.00e+00 m 0 156 156 154 0 117 1.849 2.979 37.335 1 U 6.880e+02 0.00e+00 m 0 156 169 154 0 118 2.988 5.128 42.191 1 U 4.730e+02 0.00e+00 m 0 169 153 166 0 119 2.988 2.062 42.191 1 U 3.088e+03 0.00e+00 m 0 169 155 166 0 120 2.988 1.841 42.191 2 U 6.363e+03 0.00e+00 m 0 1257 1245 1254 0 121 2.988 1.652 42.191 1 U 3.966e+04 0.00e+00 m 0 169 165 166 0 122 2.988 2.979 42.191 2 U 7.744e+05 0.00e+00 m 0 1257 1257 1254 0 123 3.885 4.279 51.254 1 U 3.520e+02 0.00e+00 m 0 190 179 177 0 124 3.885 1.643 51.254 1 U 3.108e+03 0.00e+00 m 0 190 183 177 0 125 3.885 2.039 51.254 1 U 3.840e+03 0.00e+00 m 0 190 187 177 0 126 3.885 3.876 51.254 1 U 1.618e+04 0.00e+00 m 0 190 190 177 0 127 4.279 4.279 62.813 1 U 1.463e+04 0.00e+00 m 0 179 179 178 0 128 4.279 1.643 62.813 1 U 1.570e+03 0.00e+00 m 0 179 183 178 0 129 4.279 2.039 62.813 1 U 2.944e+03 0.00e+00 m 0 179 187 178 0 130 4.279 3.876 62.813 1 U 5.460e+02 0.00e+00 m 0 179 190 178 0 131 1.652 4.279 32.300 1 U 1.401e+03 0.00e+00 m 0 183 179 180 0 132 1.652 1.643 32.300 1 U 8.339e+03 0.00e+00 m 0 183 183 180 0 133 1.652 2.039 32.300 1 U 8.703e+03 0.00e+00 m 0 183 187 180 0 134 1.652 3.876 32.300 1 U 1.307e+03 0.00e+00 m 0 183 190 180 0 135 2.039 4.279 27.300 1 U 1.928e+03 0.00e+00 m 0 187 179 184 0 136 2.039 1.643 27.300 1 U 4.840e+03 0.00e+00 m 0 187 183 184 0 137 2.039 2.039 27.300 1 U 5.296e+04 0.00e+00 m 0 187 187 184 0 138 2.039 3.876 27.300 1 U 4.902e+03 0.00e+00 m 0 187 190 184 0 139 4.238 4.229 59.347 1 U 5.688e+03 0.00e+00 m 0 195 195 194 0 140 4.238 3.129 59.347 1 U 6.190e+02 0.00e+00 m 0 195 197 194 0 141 4.238 2.553 59.347 1 U 8.420e+02 0.00e+00 m 0 195 198 194 0 142 3.138 4.229 39.769 1 U 6.250e+02 0.00e+00 m 0 197 195 196 0 143 3.138 3.129 39.769 1 U 7.442e+03 0.00e+00 m 0 197 197 196 0 144 3.138 2.553 39.769 1 U 2.096e+03 0.00e+00 m 0 197 198 196 0 145 2.562 4.229 39.769 1 U 1.131e+03 0.00e+00 m 0 198 195 196 0 146 2.562 3.129 39.769 1 U 2.498e+03 0.00e+00 m 0 198 197 196 0 147 2.562 2.553 39.769 1 U 6.130e+03 0.00e+00 m 0 198 198 196 0 148 4.352 4.343 58.868 1 U 1.171e+04 0.00e+00 m 0 218 218 217 0 149 4.352 1.729 58.868 1 U 1.222e+03 0.00e+00 m 0 218 220 217 0 150 4.352 0.944 58.868 1 U 2.634e+03 0.00e+00 m 0 218 221 217 0 151 4.352 1.317 58.868 1 U 1.456e+03 0.00e+00 m 0 218 227 217 0 152 4.352 1.092 58.868 1 U 5.410e+02 0.00e+00 m 0 218 228 217 0 153 4.352 0.815 58.868 1 U 1.854e+03 0.00e+00 m 0 218 230 217 0 154 1.738 4.343 38.954 1 U 7.880e+02 0.00e+00 m 0 220 218 219 0 155 1.738 1.729 38.954 1 U 9.521e+03 0.00e+00 m 0 220 220 219 0 156 1.738 0.944 38.954 1 U 3.410e+03 0.00e+00 m 0 220 221 219 0 157 1.738 1.317 38.954 1 U 2.300e+03 0.00e+00 m 0 220 227 219 0 158 1.738 1.092 38.954 1 U 1.123e+03 0.00e+00 m 0 220 228 219 0 159 1.738 0.815 38.954 1 U 1.982e+03 0.00e+00 m 0 220 230 219 0 160 0.953 4.343 59.671 1 U 5.736e+03 0.00e+00 m 0 221 218 222 0 161 0.953 1.729 59.671 1 U 1.189e+04 0.00e+00 m 0 221 220 222 0 162 0.953 0.944 59.671 1 U 1.820e+05 0.00e+00 m 0 221 221 222 0 163 0.953 1.317 59.671 1 U 8.214e+03 0.00e+00 m 0 221 227 222 0 164 0.953 1.092 59.671 1 U 7.248e+03 0.00e+00 m 0 221 228 222 0 165 0.953 0.815 59.671 1 U 2.677e+04 0.00e+00 m 0 221 230 222 0 166 1.326 4.343 26.977 1 U 8.150e+02 0.00e+00 m 0 227 218 226 0 167 1.326 1.729 26.977 1 U 3.265e+03 0.00e+00 m 0 227 220 226 0 168 1.326 0.944 26.977 1 U 3.618e+03 0.00e+00 m 0 227 221 226 0 169 1.326 1.317 26.977 1 U 1.859e+04 0.00e+00 m 0 227 227 226 0 170 1.326 1.092 26.977 1 U 9.225e+03 0.00e+00 m 0 227 228 226 0 171 1.326 0.815 26.977 1 U 5.447e+03 0.00e+00 m 0 227 230 226 0 172 1.101 4.343 26.977 1 U 1.369e+03 0.00e+00 m 0 228 218 226 0 173 1.101 1.729 26.977 1 U 2.437e+03 0.00e+00 m 0 228 220 226 0 174 1.101 0.944 26.977 1 U 3.269e+03 0.00e+00 m 0 228 221 226 0 175 1.101 1.317 26.977 1 U 9.657e+03 0.00e+00 m 0 228 227 226 0 176 1.101 1.092 26.977 1 U 1.017e+04 0.00e+00 m 0 228 228 226 0 177 1.101 0.815 26.977 1 U 5.045e+03 0.00e+00 m 0 228 230 226 0 178 0.824 4.343 53.520 1 U 4.118e+03 0.00e+00 m 0 230 218 231 0 179 0.824 1.729 53.520 1 U 8.441e+03 0.00e+00 m 0 230 220 231 0 180 0.824 0.944 53.520 1 U 4.794e+03 0.00e+00 m 0 230 221 231 0 181 0.824 1.317 53.520 1 U 1.337e+04 0.00e+00 m 0 230 227 231 0 182 0.824 1.092 53.520 1 U 1.114e+04 0.00e+00 m 0 230 228 231 0 183 0.824 0.815 53.520 1 U 2.985e+05 0.00e+00 m 0 230 230 231 0 186 3.986 3.986 62.900 1 U 5.238e+04 0.00e+00 m 0 239 239 238 0 188 4.127 4.118 59.148 1 U 3.036e+04 0.00e+00 m 0 249 249 248 0 189 4.127 2.083 59.148 1 U 5.110e+03 0.00e+00 m 0 249 251 248 0 190 4.127 1.912 59.148 1 U 4.505e+03 0.00e+00 m 0 249 252 248 0 191 4.127 2.272 59.148 1 U 3.777e+03 0.00e+00 m 0 249 257 248 0 192 2.091 4.118 30.103 1 U 4.005e+03 0.00e+00 m 0 251 249 250 0 193 2.091 2.083 30.103 1 U 3.790e+04 0.00e+00 m 0 251 251 250 0 194 2.091 1.912 30.103 1 U 2.285e+04 0.00e+00 m 0 251 252 250 0 195 2.091 2.272 30.103 1 U 1.228e+04 0.00e+00 m 0 251 257 250 0 196 1.921 4.118 30.103 1 U 3.692e+03 0.00e+00 m 0 252 249 250 0 197 1.921 2.083 30.103 1 U 2.192e+04 0.00e+00 m 0 252 251 250 0 198 1.921 1.912 30.103 1 U 8.317e+04 0.00e+00 m 0 252 252 250 0 199 1.921 2.272 30.103 1 U 1.166e+04 0.00e+00 m 0 252 257 250 0 200 2.281 4.118 36.040 1 U 1.305e+03 0.00e+00 m 0 257 249 254 0 201 2.281 2.083 36.040 1 U 1.020e+04 0.00e+00 m 0 257 251 254 0 202 2.281 1.912 36.040 1 U 6.700e+03 0.00e+00 m 0 257 252 254 0 203 2.281 2.272 36.040 1 U 1.469e+05 0.00e+00 m 0 257 257 254 0 204 4.559 4.550 56.608 1 U 1.806e+04 0.00e+00 m 0 263 263 262 0 205 4.559 1.882 56.608 1 U 1.582e+03 0.00e+00 m 0 263 265 262 0 206 4.559 1.782 56.608 1 U 1.170e+03 0.00e+00 m 0 263 266 262 0 207 4.559 1.353 56.608 1 U 9.330e+02 0.00e+00 m 0 263 269 262 0 208 4.559 1.476 56.608 1 U 1.390e+02 0.00e+00 m 0 263 270 262 0 209 4.559 1.658 56.608 1 U 2.590e+03 0.00e+00 m 0 263 275 262 0 210 4.559 2.945 56.608 1 U 2.540e+02 0.00e+00 m 0 263 279 262 0 211 1.891 4.550 34.941 1 U 1.988e+03 0.00e+00 m 0 265 263 264 0 212 1.891 1.882 34.941 1 U 5.535e+03 0.00e+00 m 0 265 265 264 0 213 1.891 1.782 34.941 1 U 7.055e+03 0.00e+00 m 0 265 266 264 0 214 1.891 1.353 34.941 1 U 1.914e+03 0.00e+00 m 0 265 269 264 0 215 1.891 1.476 34.941 1 U 1.982e+03 0.00e+00 m 0 265 270 264 0 216 1.891 1.658 34.941 1 U 2.960e+03 0.00e+00 m 0 265 275 264 0 217 1.891 2.945 34.941 1 U 1.300e+02 0.00e+00 m 0 265 279 264 0 218 1.791 4.550 34.941 1 U 1.532e+03 0.00e+00 m 0 266 263 264 0 219 1.791 1.882 34.941 1 U 6.259e+03 0.00e+00 m 0 266 265 264 0 220 1.791 1.782 34.941 1 U 2.407e+04 0.00e+00 m 0 266 266 264 0 221 1.791 1.353 34.941 1 U 7.680e+03 0.00e+00 m 0 266 269 264 0 222 1.791 1.476 34.941 1 U 4.050e+03 0.00e+00 m 0 266 270 264 0 223 1.791 1.658 34.941 1 U 9.946e+03 0.00e+00 m 0 266 275 264 0 224 1.791 2.945 34.941 1 U 4.600e+02 0.00e+00 m 0 266 279 264 0 225 1.362 4.550 25.035 1 U 2.158e+03 0.00e+00 m 0 269 263 268 0 226 1.362 1.882 25.035 1 U 3.800e+03 0.00e+00 m 0 269 265 268 0 227 1.362 1.782 25.035 1 U 7.010e+03 0.00e+00 m 0 269 266 268 0 228 1.362 1.353 25.035 1 U 7.408e+04 0.00e+00 m 0 269 269 268 0 229 1.362 1.476 25.035 1 U 2.163e+04 0.00e+00 m 0 269 270 268 0 230 1.362 1.658 25.035 1 U 1.518e+04 0.00e+00 m 0 269 275 268 0 231 1.362 2.945 25.035 1 U 3.357e+03 0.00e+00 m 0 269 279 268 0 232 1.485 4.550 25.035 1 U 2.323e+03 0.00e+00 m 0 270 263 268 0 233 1.485 1.882 25.035 1 U 7.703e+03 0.00e+00 m 0 270 265 268 0 234 1.485 1.782 25.035 1 U 1.107e+04 0.00e+00 m 0 270 266 268 0 235 1.485 1.353 25.035 1 U 4.268e+04 0.00e+00 m 0 270 269 268 0 236 1.485 1.476 25.035 1 U 8.330e+04 0.00e+00 m 0 270 270 268 0 237 1.485 1.658 25.035 1 U 3.081e+04 0.00e+00 m 0 270 275 268 0 238 1.485 2.945 25.035 1 U 4.669e+03 0.00e+00 m 0 270 279 268 0 239 5.983 5.974 57.883 1 U 1.260e+04 0.00e+00 m 0 289 289 288 0 240 5.983 4.498 57.883 1 U 2.743e+03 0.00e+00 m 0 289 291 288 0 241 5.983 3.172 57.883 1 U 1.178e+03 0.00e+00 m 0 289 292 288 0 242 4.507 5.974 64.603 1 U 5.920e+02 0.00e+00 m 0 291 289 290 0 243 4.507 4.498 64.603 1 U 1.239e+03 0.00e+00 m 0 291 291 290 0 244 4.507 3.172 64.603 1 U 6.990e+02 0.00e+00 m 0 291 292 290 0 245 3.181 5.974 64.603 1 U 6.910e+02 0.00e+00 m 0 292 289 290 0 246 3.181 4.498 64.603 1 U 2.150e+03 0.00e+00 m 0 292 291 290 0 247 3.181 3.172 64.603 1 U 1.367e+03 0.00e+00 m 0 292 292 290 0 248 4.160 4.151 63.231 1 U 4.441e+04 0.00e+00 m 0 299 299 298 0 249 4.160 4.125 63.231 2 U 4.441e+04 0.00e+00 m 0 402 402 401 0 250 4.134 4.151 61.834 1 U 8.646e+03 0.00e+00 m 0 303 303 300 0 251 4.134 4.125 61.834 1 U 8.646e+03 0.00e+00 m 0 303 303 300 0 252 4.723 4.714 56.694 1 U 7.589e+03 0.00e+00 m 0 309 309 308 0 253 4.723 1.983 56.694 1 U 3.310e+02 0.00e+00 m 0 309 311 308 0 254 4.723 1.762 56.694 1 U 1.866e+03 0.00e+00 m 0 309 312 308 0 255 4.723 3.000 56.694 1 U 1.131e+03 0.00e+00 m 0 309 325 308 0 256 1.992 4.714 35.125 1 U 1.295e+03 0.00e+00 m 0 311 309 310 0 257 1.992 1.983 35.125 1 U 7.589e+03 0.00e+00 m 0 311 311 310 0 258 1.992 1.762 35.125 1 U 6.668e+03 0.00e+00 m 0 311 312 310 0 259 1.992 3.000 35.125 1 U 2.400e+02 0.00e+00 m 0 311 325 310 0 260 1.771 4.714 35.125 1 U 1.548e+03 0.00e+00 m 0 312 309 310 0 261 1.771 1.983 35.125 1 U 7.112e+03 0.00e+00 m 0 312 311 310 0 262 1.771 1.762 35.125 1 U 3.477e+04 0.00e+00 m 0 312 312 310 0 263 1.771 3.000 35.125 1 U 3.820e+02 0.00e+00 m 0 312 325 310 0 264 4.957 4.948 56.996 1 U 6.034e+03 0.00e+00 m 0 335 335 334 0 266 3.886 4.948 66.287 1 U 1.883e+03 0.00e+00 m 0 337 335 336 0 268 4.516 4.507 52.453 1 U 4.414e+03 0.00e+00 m 0 345 345 344 0 269 4.516 0.625 52.453 1 U 1.337e+03 0.00e+00 m 0 345 347 344 0 270 4.516 -0.488 52.453 1 U 2.710e+02 0.00e+00 m 0 345 348 344 0 271 0.634 4.507 43.841 1 U 5.480e+02 0.00e+00 m 0 347 345 346 0 272 0.634 0.625 43.841 1 U 2.192e+03 0.00e+00 m 0 347 347 346 0 273 0.634 -0.488 43.841 1 U 1.594e+03 0.00e+00 m 0 347 348 346 0 274 -0.479 4.507 43.841 1 U 8.630e+02 0.00e+00 m 0 348 345 346 0 275 -0.479 0.625 43.841 1 U 2.606e+03 0.00e+00 m 0 348 347 346 0 276 -0.479 -0.488 43.841 1 U 2.059e+03 0.00e+00 m 0 348 348 346 0 278 3.509 1.700 55.455 1 U 1.574e+03 0.00e+00 m 0 367 369 366 0 279 3.509 1.450 55.455 1 U 1.188e+03 0.00e+00 m 0 367 370 366 0 281 1.709 1.700 30.871 1 U 2.638e+03 0.00e+00 m 0 369 369 368 0 282 1.709 1.450 30.871 1 U 2.482e+03 0.00e+00 m 0 369 370 368 0 283 1.459 3.500 30.871 1 U 6.780e+02 0.00e+00 m 0 370 367 368 0 284 1.459 1.700 30.871 1 U 1.786e+03 0.00e+00 m 0 370 369 368 0 285 1.459 1.450 30.871 1 U 1.897e+03 0.00e+00 m 0 370 370 368 0 286 4.158 4.149 63.625 1 U 3.549e+04 0.00e+00 m 0 402 402 401 0 287 4.158 2.226 63.625 1 U 3.189e+03 0.00e+00 m 0 402 404 401 0 288 4.158 1.727 63.625 1 U 4.351e+03 0.00e+00 m 0 402 405 401 0 289 2.235 4.149 32.247 1 U 3.567e+03 0.00e+00 m 0 404 402 403 0 290 2.235 2.226 32.247 1 U 3.663e+04 0.00e+00 m 0 404 404 403 0 291 2.235 1.727 32.247 1 U 9.839e+03 0.00e+00 m 0 404 405 403 0 292 1.736 4.149 32.247 1 U 2.119e+03 0.00e+00 m 0 405 402 403 0 293 1.736 2.226 32.247 1 U 5.889e+03 0.00e+00 m 0 405 404 403 0 294 1.736 1.727 32.247 1 U 1.383e+04 0.00e+00 m 0 405 405 403 0 295 4.131 4.123 57.846 1 U 3.991e+04 0.00e+00 m 0 418 418 417 0 297 1.590 4.123 42.756 1 U 3.789e+03 0.00e+00 m 0 422 418 419 0 298 1.590 1.581 42.756 1 U 4.679e+04 0.00e+00 m 0 422 422 419 0 299 3.918 3.909 46.351 1 U 4.845e+03 0.00e+00 m 0 440 440 439 0 300 4.298 4.289 58.620 1 U 8.464e+03 0.00e+00 m 0 447 447 446 0 301 4.298 2.805 58.620 1 U 2.320e+03 0.00e+00 m 0 447 449 446 0 302 2.813 4.289 41.289 1 U 1.095e+03 0.00e+00 m 0 449 447 448 0 304 4.387 4.378 55.842 1 U 3.286e+04 0.00e+00 m 0 470 470 469 0 305 4.387 2.909 55.842 1 U 2.799e+03 0.00e+00 m 0 470 474 469 0 306 2.918 4.378 37.480 1 U 1.743e+03 0.00e+00 m 0 474 470 471 0 307 2.918 2.909 37.480 1 U 1.292e+04 0.00e+00 m 0 474 474 471 0 308 4.108 4.100 57.917 1 U 4.756e+04 0.00e+00 m 0 484 484 483 0 309 4.108 1.692 57.917 1 U 9.771e+03 0.00e+00 m 0 484 488 483 0 310 1.700 4.100 29.474 1 U 5.182e+03 0.00e+00 m 0 488 484 485 0 312 4.455 4.447 57.878 1 U 1.024e+04 0.00e+00 m 0 498 498 497 0 313 4.455 2.813 57.878 1 U 5.530e+02 0.00e+00 m 0 498 500 497 0 314 4.455 1.920 57.878 1 U 3.760e+02 0.00e+00 m 0 498 501 497 0 315 2.822 4.447 38.507 1 U 1.187e+03 0.00e+00 m 0 500 498 499 0 316 2.822 2.813 38.507 1 U 6.700e+03 0.00e+00 m 0 500 500 499 0 317 2.822 1.920 38.507 1 U 1.800e+03 0.00e+00 m 0 500 501 499 0 318 1.929 4.447 38.507 1 U 8.870e+02 0.00e+00 m 0 501 498 499 0 319 1.929 2.813 38.507 1 U 1.504e+03 0.00e+00 m 0 501 500 499 0 320 1.929 1.920 38.507 1 U 4.135e+03 0.00e+00 m 0 501 501 499 0 324 2.335 4.343 32.247 1 U 3.100e+03 0.00e+00 m 0 611 570 610 0 325 2.335 2.335 32.247 1 U 1.542e+05 0.00e+00 m 0 611 611 610 0 326 2.335 1.838 32.247 1 U 9.657e+03 0.00e+00 m 0 611 612 610 0 327 1.847 4.343 32.247 1 U 2.598e+03 0.00e+00 m 0 612 570 610 0 328 1.847 2.335 32.247 1 U 7.930e+03 0.00e+00 m 0 612 611 610 0 329 1.847 1.838 32.247 1 U 3.991e+04 0.00e+00 m 0 612 612 610 0 330 2.028 2.019 38.551 1 U 2.548e+04 0.00e+00 m 0 627 627 626 0 331 5.252 5.244 59.141 1 U 4.664e+03 0.00e+00 m 0 646 646 645 0 332 5.252 4.114 59.141 1 U 2.451e+03 0.00e+00 m 0 646 648 645 0 333 4.123 5.244 72.804 1 U 1.682e+03 0.00e+00 m 0 648 646 647 0 334 4.123 4.114 72.804 1 U 5.439e+03 0.00e+00 m 0 648 648 647 0 335 5.101 5.092 59.193 1 U 5.801e+03 0.00e+00 m 0 659 659 658 0 336 5.101 2.267 59.193 1 U 1.945e+03 0.00e+00 m 0 659 661 658 0 337 2.276 5.092 35.972 1 U 2.141e+03 0.00e+00 m 0 661 659 660 0 338 2.276 2.267 35.972 1 U 1.469e+05 0.00e+00 m 0 661 661 660 0 339 5.752 5.743 53.303 1 U 5.351e+03 0.00e+00 m 0 677 677 676 0 340 5.752 2.611 53.303 1 U 1.311e+03 0.00e+00 m 0 677 679 676 0 341 2.620 5.743 43.110 1 U 1.066e+03 0.00e+00 m 0 679 677 678 0 342 2.620 2.611 43.110 1 U 4.294e+03 0.00e+00 m 0 679 679 678 0 343 5.365 5.356 53.500 1 U 4.380e+03 0.00e+00 m 0 687 687 686 0 344 5.365 2.180 53.500 1 U 8.500e+02 0.00e+00 m 0 687 689 686 0 345 1.209 5.356 42.500 1 U 8.230e+02 0.00e+00 m 0 690 687 688 0 346 1.209 1.200 42.500 1 U 2.337e+03 0.00e+00 m 0 690 690 688 0 347 5.615 5.615 54.036 1 U 2.699e+03 0.00e+00 m 0 709 709 708 0 348 5.615 1.651 54.036 1 U 7.660e+02 0.00e+00 m 0 709 711 708 0 349 5.615 1.143 54.036 1 U 4.090e+02 0.00e+00 m 0 709 712 708 0 350 1.660 5.615 45.822 1 U 1.769e+03 0.00e+00 m 0 711 709 710 0 351 1.660 1.651 45.822 1 U 7.283e+03 0.00e+00 m 0 711 711 710 0 352 1.660 1.143 45.822 1 U 5.881e+03 0.00e+00 m 0 711 712 710 0 353 1.152 5.615 45.822 1 U 1.178e+03 0.00e+00 m 0 712 709 710 0 354 1.152 1.651 45.822 1 U 6.925e+03 0.00e+00 m 0 712 711 710 0 355 1.152 1.143 45.822 1 U 5.985e+03 0.00e+00 m 0 712 712 710 0 356 4.011 4.003 47.168 1 U 4.294e+03 0.00e+00 m 0 1000 1000 999 0 357 4.011 3.621 47.168 1 U 4.334e+03 0.00e+00 m 0 1000 1001 999 0 358 3.630 4.003 47.168 1 U 4.027e+03 0.00e+00 m 0 1001 1000 999 0 359 3.630 3.621 47.168 1 U 4.794e+03 0.00e+00 m 0 1001 1001 999 0 360 4.055 4.046 56.866 1 U 1.338e+04 0.00e+00 m 0 781 781 780 0 361 4.055 1.717 56.866 1 U 1.166e+03 0.00e+00 m 0 781 783 780 0 362 4.055 0.932 56.866 1 U 1.566e+03 0.00e+00 m 0 781 784 780 0 363 1.726 4.046 32.281 1 U 3.830e+02 0.00e+00 m 0 783 781 782 0 364 1.726 1.717 32.281 1 U 1.383e+04 0.00e+00 m 0 783 783 782 0 365 1.726 0.932 32.281 1 U 1.798e+03 0.00e+00 m 0 783 784 782 0 366 0.941 4.046 32.281 1 U 6.020e+02 0.00e+00 m 0 784 781 782 0 367 0.941 1.717 32.281 1 U 1.624e+03 0.00e+00 m 0 784 783 782 0 368 0.941 0.932 32.281 1 U 2.400e+02 0.00e+00 m 0 784 784 782 0 369 5.694 5.685 56.550 1 U 4.147e+03 0.00e+00 m 0 809 809 808 0 370 5.694 3.511 56.550 1 U 1.923e+03 0.00e+00 m 0 809 813 808 0 371 3.520 5.685 66.951 1 U 4.493e+03 0.00e+00 m 0 813 809 810 0 372 3.520 3.511 66.951 1 U 5.078e+04 0.00e+00 m 0 813 813 810 0 373 4.815 4.806 59.172 1 U 5.100e+01 0.00e+00 m 0 819 819 818 0 374 4.815 3.420 59.172 1 U 1.240e+02 0.00e+00 m 0 819 821 818 0 375 3.429 4.806 33.100 1 U 5.620e+02 0.00e+00 m 0 821 819 820 0 376 3.429 3.420 33.100 1 U 1.636e+03 0.00e+00 m 0 821 821 820 0 377 5.437 5.428 63.550 1 U 4.578e+03 0.00e+00 m 0 843 843 842 0 379 3.951 5.428 70.427 1 U 5.600e+02 0.00e+00 m 0 845 843 844 0 380 3.951 3.942 70.427 1 U 1.059e+04 0.00e+00 m 0 845 845 844 0 381 5.274 5.265 59.873 1 U 9.089e+03 0.00e+00 m 0 856 856 855 0 382 5.274 2.021 59.873 1 U 1.482e+03 0.00e+00 m 0 856 858 855 0 383 2.021 5.265 35.554 1 U 1.439e+03 0.00e+00 m 0 858 856 857 0 384 2.021 2.021 35.554 1 U 1.943e+04 0.00e+00 m 0 858 858 857 0 385 4.721 4.712 56.481 1 U 1.534e+04 0.00e+00 m 0 874 874 873 0 386 4.721 2.006 56.481 1 U 4.430e+02 0.00e+00 m 0 874 876 873 0 387 2.015 4.712 32.173 1 U 7.130e+02 0.00e+00 m 0 876 874 875 0 388 2.015 2.006 32.173 1 U 3.186e+04 0.00e+00 m 0 876 876 875 0 389 5.425 5.425 54.983 1 U 5.375e+03 0.00e+00 m 0 902 902 901 0 390 5.425 1.843 54.983 1 U 1.951e+03 0.00e+00 m 0 902 906 901 0 391 1.852 5.425 37.100 1 U 1.147e+03 0.00e+00 m 0 906 902 903 0 392 1.852 1.843 37.100 1 U 1.702e+04 0.00e+00 m 0 906 906 903 0 393 4.747 4.738 54.945 1 U 2.700e+01 0.00e+00 m 0 920 920 919 0 394 4.747 1.657 54.945 1 U 8.270e+02 0.00e+00 m 0 920 923 919 0 395 1.666 4.738 37.700 1 U 1.917e+03 0.00e+00 m 0 923 920 921 0 396 1.666 1.657 37.700 1 U 1.181e+04 0.00e+00 m 0 923 923 921 0 397 5.071 5.062 55.800 1 U 6.042e+03 0.00e+00 m 0 946 946 945 0 398 5.071 1.634 55.800 1 U 2.506e+03 0.00e+00 m 0 946 948 945 0 399 5.071 1.216 55.800 1 U 7.190e+02 0.00e+00 m 0 946 949 945 0 400 1.643 5.062 33.964 1 U 1.911e+03 0.00e+00 m 0 948 946 947 0 401 1.643 1.634 33.964 1 U 1.818e+04 0.00e+00 m 0 948 948 947 0 402 1.643 1.216 33.964 1 U 1.379e+04 0.00e+00 m 0 948 949 947 0 403 1.225 5.062 33.964 1 U 1.488e+03 0.00e+00 m 0 949 946 947 0 404 1.225 1.634 33.964 1 U 1.075e+04 0.00e+00 m 0 949 948 947 0 405 1.225 1.216 33.964 1 U 1.520e+04 0.00e+00 m 0 949 949 947 0 406 4.367 4.358 45.550 1 U 7.737e+03 0.00e+00 m 0 774 774 773 0 407 4.367 3.726 45.550 1 U 7.248e+03 0.00e+00 m 0 774 775 773 0 408 3.735 4.358 45.550 1 U 7.567e+03 0.00e+00 m 0 775 774 773 0 409 3.735 3.726 45.550 1 U 1.163e+04 0.00e+00 m 0 775 775 773 0 410 4.242 4.233 56.700 1 U 7.635e+04 0.00e+00 m 0 1007 1007 1006 0 411 4.242 2.146 56.700 1 U 5.174e+03 0.00e+00 m 0 1007 1009 1006 0 412 4.242 1.874 56.700 1 U 3.675e+03 0.00e+00 m 0 10 #peak 2599 43 LYS+ HN 43 LYS+ HG2 5.35 #peak 2600 23 VAL HA 43 LYS+ HG3 5.50 #peak 2601 42 LEU HA 43 LYS+ HG3 5.50 #peak 2602 43 LYS+ HN 43 LYS+ HG3 5.28 #peak 2603 12 ARG+ HB3 13 PHE QD 7.62 #peak 2606 12 ARG+ HB2 13 PHE QD 7.62 #peak 2608 12 ARG+ HA 13 PHE QE 7.62 #peak 2612 1 LYS+ HA 2 PRO HD2 3.08 #peak 2614 1 LYS+ QG 2 PRO HD3 6.38 #peak 2617 9 CYSS HA 10 PRO QD 4.76 #peak 2620 10 PRO QD 37 GLN HE22 6.38 #peak 2621 10 PRO QD 37 GLN HE21 6.38 #peak 2622 10 PRO QD 11 CYSS HN 6.38 #peak 2623 10 PRO QG 11 CYSS HN 6.38 #peak 2624 9 CYSS HB2 37 GLN HE22 5.50 #peak 2632 9 CYSS HB2 37 GLN HE21 5.50 #peak 2633 46 ASN HN 47 ARG+ HD3 5.50 #peak 2642 45 ASN HD22 47 ARG+ HD2 5.50 #peak 2644 45 ASN HD21 47 ARG+ HD2 5.50 #peak 2645 47 ARG+ HN 47 ARG+ HD2 5.50 #peak 2646 47 ARG+ HB3 47 ARG+ QG 3.90 #peak 2652 47 ARG+ HB2 47 ARG+ QG 3.99 #peak 2653 47 ARG+ HB2 47 ARG+ HD2 4.73 #peak 2655 47 ARG+ HB3 47 ARG+ HD2 4.69 #peak 2656 47 ARG+ HD2 47 ARG+ HD3 2.40 #peak 2661 47 ARG+ HD3 47 ARG+ HD2 2.40 #peak 2662 47 ARG+ HB2 47 ARG+ HD3 3.30 #peak 2663 47 ARG+ QG 47 ARG+ HD3 4.18 #peak 2664 47 ARG+ HA 47 ARG+ HD3 5.50 #peak 2668 45 ASN HD22 47 ARG+ HD3 5.50 #peak 2670 7 TYR QE 7 TYR HB2 7.63 #peak 2674 7 TYR QD 7 TYR HB2 6.52 #peak 2675 7 TYR QD 7 TYR HB3 6.62 #peak 2676 7 TYR QE 7 TYR HB3 7.63 #peak 2677 43 LYS+ QD 43 LYS+ HE3 5.51 #peak 2684 22 ASN HA 43 LYS+ QD 6.22 #peak 2685 43 LYS+ HN 43 LYS+ QD 6.38 #peak 2686 48 GLN HN 48 GLN HG2 5.50 #peak 2706 48 GLN HN 48 GLN HG3 5.50 #peak 2709 48 GLN HG3 49 VAL HN 4.94 #peak 2710 63 GLU- HN 63 GLU- HG2 4.54 #peak 2713 60 GLU- HN 60 GLU- HG2 4.14 #peak 2714 57 TRP HA 60 GLU- HG3 5.50 #peak 2715 60 GLU- HN 60 GLU- HG3 4.42 #peak 2716 46 ASN HB3 46 ASN HD21 5.50 #peak 2739 46 ASN HD21 47 ARG+ HA 5.50 #peak 2741 18 VAL HA 18 VAL QQG 6.07 #peak 442 62 LEU HA 62 LEU QD2 3.89 #peak 445 31 THR HA 31 THR QG2 6.53 #peak 476 19 ALA QB 19 ALA HA 4.11 #peak 484 21 ALA QB 21 ALA HA 3.92 #peak 485 65 ALA QB 65 ALA HA 3.92 #peak 486 19 ALA HA 19 ALA QB 3.92 #peak 525 18 VAL QQG 18 VAL HB 5.58 #peak 530 18 VAL HB 18 VAL QQG 5.11 #peak 534 18 VAL HA 18 VAL QQG 6.38 #peak 535 5 LEU HB2 5 LEU QQD 5.43 #peak 662 5 LEU HB3 5 LEU QQD 5.93 #peak 663 3 VAL HA 3 VAL QQG 6.60 #peak 667 3 VAL QQG 3 VAL HB 7.62 #peak 669 3 VAL HB 3 VAL QQG 6.23 #peak 670 3 VAL HA 3 VAL QQG 7.47 #peak 671 23 VAL HA 23 VAL QQG 6.01 #peak 683 23 VAL HB 23 VAL QQG 5.58 #peak 685 23 VAL HA 23 VAL QQG 6.29 #peak 686 23 VAL QQG 23 VAL HB 5.55 #peak 687 38 ILE HA 38 ILE QD1 5.10 #peak 752 38 ILE HA 38 ILE QG2 5.94 #peak 755 38 ILE HB 38 ILE QD1 4.11 #peak 758 38 ILE QG2 38 ILE HB 4.26 #peak 760 38 ILE HG13 38 ILE QD1 3.86 #peak 763 38 ILE HG12 38 ILE QD1 4.33 #peak 764 38 ILE HB 38 ILE QD1 4.26 #peak 765 38 ILE QG2 38 ILE QD1 4.52 #peak 766 38 ILE QG2 38 ILE HG13 4.73 #peak 767 38 ILE QG2 38 ILE QD1 4.46 #peak 768 38 ILE QG2 38 ILE HG12 4.64 #peak 769 38 ILE HB 38 ILE QG2 4.14 #peak 770 38 ILE HA 38 ILE QG2 4.51 #peak 771 38 ILE QD1 38 ILE HG13 4.30 #peak 773 38 ILE QG2 38 ILE HG13 4.64 #peak 775 38 ILE QD1 38 ILE HG12 4.26 #peak 780 38 ILE QG2 38 ILE HG12 4.61 #peak 781 29 LEU QB 29 LEU QQD 7.45 #peak 784 29 LEU HA 29 LEU QQD 7.01 #peak 787 29 LEU QQD 29 LEU HG 6.42 #peak 794 29 LEU HG 29 LEU QQD 5.77 #peak 795 29 LEU QB 29 LEU QQD 6.93 #peak 798 29 LEU HA 29 LEU QQD 6.08 #peak 799 31 THR QG2 31 THR HB 4.67 #peak 807 31 THR HB 31 THR QG2 4.11 #peak 808 31 THR HA 31 THR QG2 4.67 #peak 809 35 ALA QB 35 ALA HA 3.99 #peak 823 35 ALA HA 35 ALA QB 3.80 #peak 824 36 LEU QD2 36 LEU HG 4.67 #peak 826 36 LEU HA 36 LEU QD2 4.95 #peak 827 36 LEU HB2 36 LEU QD1 3.68 #peak 831 28 ILE HA 28 ILE QG2 5.66 #peak 859 28 ILE HB 28 ILE QD1 3.83 #peak 862 28 ILE QG2 28 ILE HG13 3.74 #peak 866 28 ILE QG2 28 ILE HG12 4.39 #peak 867 28 ILE HB 28 ILE QG2 3.89 #peak 868 28 ILE HA 28 ILE QG2 4.42 #peak 869 28 ILE HG13 28 ILE QD1 3.52 #peak 870 28 ILE HG12 28 ILE QD1 4.11 #peak 871 28 ILE HB 28 ILE QD1 4.57 #peak 872 28 ILE HA 28 ILE QD1 5.50 #peak 873 28 ILE QD1 28 ILE HG13 3.61 #peak 874 39 VAL QQG 39 VAL HB 5.36 #peak 879 39 VAL HA 39 VAL QQG 6.48 #peak 881 39 VAL HB 39 VAL QQG 5.70 #peak 883 39 VAL HA 39 VAL QQG 6.54 #peak 884 40 ALA QB 40 ALA HA 4.39 #peak 885 40 ALA HA 40 ALA QB 3.99 #peak 886 42 LEU HB2 42 LEU QD1 4.70 #peak 903 42 LEU HB2 42 LEU QD2 5.19 #peak 904 42 LEU HB3 42 LEU QD1 4.79 #peak 910 42 LEU HB3 42 LEU QD2 4.95 #peak 911 42 LEU QD1 42 LEU QD2 5.73 #peak 912 42 LEU HB3 42 LEU QD2 4.08 #peak 913 42 LEU HG 42 LEU QD2 3.89 #peak 914 42 LEU HA 42 LEU QD2 4.33 #peak 915 42 LEU HB2 42 LEU QD2 5.13 #peak 916 42 LEU QD2 42 LEU QD1 5.45 #peak 917 42 LEU HG 42 LEU QD1 4.17 #peak 918 42 LEU HB3 42 LEU QD1 4.11 #peak 919 42 LEU HB2 42 LEU QD1 4.70 #peak 920 42 LEU HA 42 LEU QD1 6.53 #peak 921 42 LEU QD1 42 LEU HG 4.76 #peak 924 42 LEU QD2 42 LEU HG 4.51 #peak 925 36 LEU HA 36 LEU QD1 5.07 #peak 941 49 VAL HA 49 VAL QG1 6.53 #peak 981 49 VAL HA 49 VAL QG2 6.53 #peak 982 49 VAL QG1 49 VAL HB 4.08 #peak 984 49 VAL QG2 49 VAL HB 4.23 #peak 985 49 VAL HB 49 VAL QG1 3.77 #peak 986 49 VAL QG2 49 VAL QG1 4.64 #peak 987 49 VAL HA 49 VAL QG1 4.39 #peak 988 49 VAL QG1 49 VAL QG2 4.46 #peak 990 49 VAL HB 49 VAL QG2 4.08 #peak 991 49 VAL HA 49 VAL QG2 5.81 #peak 992 51 ILE HA 51 ILE QG2 4.64 #peak 1004 51 ILE HB 51 ILE QD1 3.99 #peak 1008 51 ILE QG2 51 ILE HG12 4.30 #peak 1011 51 ILE QG2 55 LEU QD1 6.28 #peak 1013 51 ILE QG2 51 ILE HG12 4.88 #peak 1014 51 ILE HB 51 ILE QG2 4.39 #peak 1015 51 ILE HA 51 ILE QG2 5.13 #peak 1016 51 ILE QG2 51 ILE HG13 4.14 #peak 1020 51 ILE HG13 51 ILE QD1 4.26 #peak 1025 51 ILE HG12 51 ILE QD1 4.30 #peak 1026 51 ILE HB 51 ILE QD1 5.19 #peak 1027 51 ILE HA 51 ILE QD1 5.29 #peak 1028 55 LEU HA 55 LEU QD2 3.86 #peak 1063 55 LEU HB2 55 LEU QD1 4.54 #peak 1070 55 LEU HG 55 LEU QD1 4.76 #peak 1073 55 LEU HA 55 LEU QD1 6.19 #peak 1074 55 LEU HB2 55 LEU QD2 4.39 #peak 1075 55 LEU HG 55 LEU QD2 4.30 #peak 1078 55 LEU HA 55 LEU QD2 4.05 #peak 1079 55 LEU QD2 55 LEU HG 4.42 #peak 1082 58 ILE HA 58 ILE QD1 4.82 #peak 1122 58 ILE HB 58 ILE QD1 6.53 #peak 1126 58 ILE QD1 58 ILE HG13 4.17 #peak 1132 58 ILE QD1 58 ILE HG12 4.61 #peak 1134 58 ILE HG12 58 ILE QD1 3.68 #peak 1140 58 ILE HG13 58 ILE QD1 3.64 #peak 1141 58 ILE HB 58 ILE QD1 5.50 #peak 1142 58 ILE HA 58 ILE QD1 4.85 #peak 1143 58 ILE QG2 58 ILE QD1 6.13 #peak 1144 58 ILE QG2 58 ILE HG13 4.67 #peak 1145 58 ILE HB 58 ILE QG2 4.42 #peak 1146 58 ILE HA 58 ILE QG2 4.85 #peak 1147 62 LEU HB2 62 LEU QD2 4.20 #peak 1191 62 LEU HB3 62 LEU QD1 4.51 #peak 1193 62 LEU HG 62 LEU QD1 4.20 #peak 1194 62 LEU HA 62 LEU QD1 5.16 #peak 1195 62 LEU HB3 62 LEU QD1 4.05 #peak 1198 62 LEU QD2 62 LEU HG 4.48 #peak 1203 62 LEU HB3 62 LEU QD2 4.42 #peak 1205 62 LEU HG 62 LEU QD2 3.92 #peak 1206 62 LEU HA 62 LEU QD2 3.89 #peak 1207 65 ALA HA 65 ALA QB 3.83 #peak 1279 26 LEU HA 26 LEU QD1 5.66 #peak 1473 26 LEU HA 26 LEU QD2 6.12 #peak 1474 26 LEU HB2 26 LEU QD1 5.32 #peak 1476 26 LEU HB2 26 LEU QD2 5.38 #peak 1477 26 LEU HB3 26 LEU QD1 5.07 #peak 1481 26 LEU HB3 26 LEU QD2 5.29 #peak 1483 26 LEU QD1 26 LEU HG 5.38 #peak 1486 26 LEU QD2 26 LEU HG 5.50 #peak 1487 26 LEU QD2 26 LEU QD1 5.08 #peak 1488 26 LEU HB3 26 LEU QD2 5.72 #peak 1491 26 LEU QD1 26 LEU QD2 4.52 #peak 1492 26 LEU HB3 26 LEU QD1 4.98 #peak 1493 26 LEU HG 26 LEU QD1 5.26 #peak 1494 26 LEU HG 26 LEU QD2 6.19 #peak 1495 26 LEU HA 26 LEU QD2 6.53 #peak 1496 26 LEU HA 26 LEU QD1 5.35 #peak 1497 21 ALA HA 21 ALA QB 3.68 #peak 1648 28 ILE QD1 28 ILE HG12 3.92 #peak 1658 42 LEU HA 42 LEU QD1 6.53 #peak 1666 42 LEU HA 42 LEU QD2 4.57 #peak 1667 66 LEU HB3 66 LEU QQD 7.29 #peak 1702 66 LEU HG 66 LEU QQD 6.76 #peak 1703 66 LEU HA 66 LEU QQD 6.67 #peak 1704 66 LEU QQD 66 LEU HG 6.49 #peak 1705 66 LEU HA 66 LEU QQD 5.68 #peak 1710 5 LEU HA 5 LEU QQD 6.33 #peak 1720 5 LEU HB3 5 LEU QQD 5.59 #peak 1724 5 LEU HG 5 LEU QQD 5.65 #peak 1725 5 LEU HA 5 LEU QQD 7.63 #peak 1726 10 PRO QG 31 THR QG2 6.63 #peak 1737 10 PRO QD 31 THR QG2 6.78 #peak 1739 19 ALA QB 22 ASN HB3 5.60 #peak 1767 22 ASN HB3 23 VAL QQG 7.28 #peak 1768 9 CYSS HB2 31 THR QG2 6.53 #peak 1770 9 CYSS HA 31 THR QG2 6.03 #peak 1784 65 ALA QB 66 LEU HA 5.75 #peak 1805 62 LEU HA 65 ALA QB 4.82 #peak 1806 65 ALA QB 66 LEU HA 5.23 #peak 1807 65 ALA QB 66 LEU QQD 7.48 #peak 1808 65 ALA HA 66 LEU QQD 7.63 #peak 1813 61 TYR QB 62 LEU QD2 7.40 #peak 1818 58 ILE QG2 61 TYR QB 7.40 #peak 1819 59 GLN HG2 62 LEU QD1 6.09 #peak 1825 59 GLN HG3 62 LEU QD1 6.09 #peak 1826 59 GLN QB 62 LEU QD1 7.40 #peak 1828 58 ILE QG2 59 GLN QB 7.40 #peak 1829 59 GLN HA 62 LEU QD1 4.57 #peak 1830 58 ILE QG2 59 GLN HA 5.63 #peak 1831 58 ILE QD1 62 LEU QD1 7.56 #peak 1833 55 LEU HB2 58 ILE QD1 5.69 #peak 1835 38 ILE HB 58 ILE QD1 6.53 #peak 1836 58 ILE QD1 61 TYR QB 7.40 #peak 1837 53 PRO HA 58 ILE QD1 5.78 #peak 1838 55 LEU QD1 58 ILE HG13 6.03 #peak 1841 57 TRP HH2 58 ILE QD1 5.57 #peak 1842 62 LEU HN 62 LEU QD1 6.53 #peak 1871 58 ILE QG2 62 LEU HG 5.72 #peak 1876 62 LEU HA 65 ALA QB 5.01 #peak 1882 58 ILE QG2 61 TYR QB 7.40 #peak 1900 58 ILE QG2 59 GLN HG2 6.50 #peak 1901 58 ILE QG2 59 GLN QB 7.40 #peak 1902 58 ILE QG2 59 GLN HA 5.38 #peak 1904 53 PRO HA 58 ILE QG2 4.30 #peak 1905 58 ILE HN 58 ILE QG2 5.41 #peak 1907 55 LEU HN 58 ILE QG2 6.53 #peak 1908 58 ILE QG2 59 GLN HN 5.69 #peak 1909 52 ASP- HB2 55 LEU QD2 5.94 #peak 1931 55 LEU HN 55 LEU QD2 5.13 #peak 1934 55 LEU QD2 57 TRP HD1 5.85 #peak 1935 55 LEU QD2 57 TRP HE1 5.50 #peak 1936 55 LEU QD1 57 TRP HZ2 5.78 #peak 1938 55 LEU HN 55 LEU QD1 5.57 #peak 1939 42 LEU QD1 45 ASN HD22 6.53