============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 11 0.900 24.293 50.742 61.645 -99.200 -91.000 TRP 15 1.040 29.061 45.336 72.370 -99.200 -91.000 TRP6 15 1.020 27.028 46.149 71.496 -99.200 -91.000 PHE 16 1.000 33.215 38.204 74.719 -99.200 -91.000 TYR 31 0.840 19.337 31.405 83.137 -99.200 -91.000 HIS 32 0.900 23.819 26.967 84.380 -99.200 -91.000 HIS 38 0.900 25.136 31.048 93.043 -99.200 -91.000 TRP 39 1.040 21.491 28.412 94.373 -99.200 -91.000 TRP6 39 1.020 20.397 26.946 92.880 -99.200 -91.000 HIS 43 0.900 28.059 16.095 95.145 -99.200 -91.000 TYR 51 0.840 33.692 10.799 83.347 -99.200 -91.000 TYR 54 0.840 36.055 17.067 84.787 -99.200 -91.000 PHE 61 1.000 29.818 20.220 83.564 -99.200 -91.000 PHE 82 1.000 18.832 45.251 76.208 -99.200 -91.000 PHE 93 1.000 32.345 33.214 62.862 -99.200 -91.000 HIS 98 0.900 24.856 32.181 58.546 -99.200 -91.000 PHE 102 1.000 20.181 35.041 56.317 -99.200 -91.000 HIS 115 0.900 12.168 32.190 64.754 -99.200 -91.000 TYR 124 0.840 25.711 25.539 57.039 -99.200 -91.000 TYR 125 0.840 25.953 27.404 61.446 -99.200 -91.000 TRP 144 1.040 8.992 38.930 68.907 -99.200 -91.000 TRP6 144 1.020 6.809 39.618 68.303 -99.200 -91.000 PHE 147 1.000 6.361 45.393 65.553 -99.200 -91.000 TYR 156 0.840 1.267 43.222 79.194 -99.200 -91.000 PHE 169 1.000 7.544 34.927 88.563 -99.200 -91.000 TYR 170 0.840 9.056 26.644 89.448 -99.200 -91.000 PHE 184 1.000 9.879 33.386 94.985 -99.200 -91.000 HIS 192 0.900 22.538 19.025 95.965 -99.200 -91.000 TRP 193 1.040 23.661 12.800 96.788 -99.200 -91.000 TRP6 193 1.020 26.001 12.727 97.246 -99.200 -91.000 HIS 196 0.900 27.431 9.195 89.746 -99.200 -91.000 PHE 220 1.000 7.040 26.516 99.054 -99.200 -91.000 TRP 221 1.040 2.272 23.745 94.094 -99.200 -91.000 TRP6 221 1.020 2.114 24.956 92.063 -99.200 -91.000 TRP 227 1.040 21.457 21.232 84.141 -99.200 -91.000 TRP6 227 1.020 23.604 20.793 83.225 -99.200 -91.000 TYR 234 0.840 19.564 7.854 90.775 -99.200 -91.000 HIS 240 0.900 7.162 4.536 91.641 -99.200 -91.000 PHE 245 1.000 8.876 12.028 101.768 -99.200 -91.000 TRP 249 1.040 8.446 19.890 87.889 -99.200 -91.000 TRP6 249 1.020 7.176 21.873 88.178 -99.200 -91.000 TYR 259 0.840 13.027 13.757 71.296 -99.200 -91.000 TYR 262 0.840 12.910 13.228 79.063 -99.200 -91.000 HIS 280 0.900 19.641 21.976 79.091 -99.200 -91.000 HIS 281 0.900 14.030 18.319 74.425 -99.200 -91.000 PHE 287 1.000 10.516 22.616 73.020 -99.200 -91.000 TRP 304 1.040 19.107 29.035 76.901 -99.200 -91.000 TRP6 304 1.020 19.388 27.572 78.763 -99.200 -91.000 HIS 328 0.900 15.529 27.736 82.554 -99.200 -91.000 TYR 333 0.840 15.031 39.224 77.531 -99.200 -91.000 HIS 335 0.900 9.185 37.748 84.347 -99.200 -91.000 HIS 336 0.900 6.839 42.359 78.465 -99.200 -91.000 PHE 341 1.000 2.732 31.778 76.056 -99.200 -91.000 PHE 346 1.000 3.065 26.213 87.631 -99.200 -91.000 PHE 349 1.000 13.724 35.379 91.155 -99.200 -91.000 PHE 363 1.000 18.351 36.563 81.904 -99.200 -91.000 HIS 379 0.900 -0.576 44.440 89.197 -99.200 -91.000 PHE 388 1.000 10.929 40.800 75.209 -99.200 -91.000 HIS 397 0.900 34.286 46.670 82.834 -99.200 -91.000 TYR 402 0.840 34.100 37.368 65.951 -99.200 -91.000 HIS 404 0.900 27.829 43.711 60.774 -99.200 -91.000