============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 1 1.000 10.679 12.579 5.044 -99.200 -91.000 TRP 10 1.040 21.293 31.208 18.269 -99.200 -91.000 TRP6 10 1.020 21.848 32.648 20.052 -99.200 -91.000 TYR 16 0.840 10.470 32.439 12.632 -99.200 -91.000 HIS 25 0.900 18.198 19.806 -0.265 -99.200 -91.000 HIS 47 0.900 22.574 34.175 16.120 -99.200 -91.000 PHE 49 1.000 17.859 38.135 19.841 -99.200 -91.000 TYR 88 0.840 29.592 38.546 7.904 -99.200 -91.000 HIS 96 0.900 44.026 35.189 7.953 -99.200 -91.000 HIS 110 0.900 30.160 30.275 14.722 -99.200 -91.000 HIS 122 0.900 26.280 47.893 14.969 -99.200 -91.000 PHE 157 1.000 24.887 48.171 -4.083 -99.200 -91.000 TYR 181 0.840 42.472 44.151 9.270 -99.200 -91.000 HIS 186 0.900 46.464 46.005 24.028 -99.200 -91.000 PHE 188 1.000 42.795 49.356 28.406 -99.200 -91.000 PHE 201 1.000 31.460 58.817 23.724 -99.200 -91.000 TYR 209 0.840 39.763 48.770 11.911 -99.200 -91.000 PHE 214 1.000 31.160 44.935 25.988 -99.200 -91.000 TRP 217 1.040 23.049 51.104 31.240 -99.200 -91.000 TRP6 217 1.020 24.001 53.290 31.219 -99.200 -91.000 PHE 222 1.000 29.931 54.079 29.910 -99.200 -91.000 TRP 226 1.040 35.744 44.118 26.056 -99.200 -91.000 TRP6 226 1.020 35.696 41.895 25.229 -99.200 -91.000 PHE 238 1.000 41.480 53.552 27.081 -99.200 -91.000 TYR 240 0.840 41.718 58.660 28.383 -99.200 -91.000 HIS 249 0.900 30.551 36.477 28.079 -99.200 -91.000 PHE 263 1.000 45.030 39.039 30.084 -99.200 -91.000 TRP 269 1.040 41.496 39.226 8.935 -99.200 -91.000 TRP6 269 1.020 39.266 38.870 8.243 -99.200 -91.000 HIS 270 0.900 40.606 35.059 10.621 -99.200 -91.000 HIS 275 0.900 32.709 42.235 21.165 -99.200 -91.000 PHE 276 1.000 30.658 36.300 22.633 -99.200 -91.000 PHE 280 1.000 29.793 30.556 22.753 -99.200 -91.000 TYR 292 0.840 16.416 51.169 21.297 -99.200 -91.000 HIS 298 0.900 21.670 64.214 18.906 -99.200 -91.000 HIS 304 0.900 25.887 62.404 31.481 -99.200 -91.000 TRP 331 1.040 18.532 54.652 -0.401 -99.200 -91.000 TRP6 331 1.020 17.225 53.874 -2.228 -99.200 -91.000 TYR 336 0.840 20.363 57.754 4.524 -99.200 -91.000 HIS 344 0.900 23.216 44.462 21.925 -99.200 -91.000 PHE 345 1.000 20.382 49.386 26.468 -99.200 -91.000 TRP 347 1.040 16.602 43.958 26.483 -99.200 -91.000 TRP6 347 1.020 16.919 45.874 27.856 -99.200 -91.000 PHE 368 1.000 19.239 62.446 23.634 -99.200 -91.000 HIS 373 0.900 20.400 45.345 14.451 -99.200 -91.000 TRP 374 1.040 15.745 48.276 10.040 -99.200 -91.000 TRP6 374 1.020 13.573 49.195 10.247 -99.200 -91.000 PHE 378 1.000 11.732 47.554 15.936 -99.200 -91.000 TYR 389 0.840 15.159 54.101 9.160 -99.200 -91.000 PHE 395 1.000 13.228 49.104 1.099 -99.200 -91.000 PHE 408 1.000 10.323 37.676 -2.217 -99.200 -91.000 PHE 412 1.000 10.399 43.970 11.389 -99.200 -91.000