============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 2 0.840 40.401 41.729 83.315 -99.200 -91.000 PHE 10 1.000 33.340 36.146 75.753 -99.200 -91.000 PHE 12 1.000 36.218 30.687 71.087 -99.200 -91.000 TRP 15 1.040 35.613 28.315 60.898 -99.200 -91.000 TRP6 15 1.020 33.294 28.446 61.498 -99.200 -91.000 TRP 19 1.040 43.712 26.820 59.584 -99.200 -91.000 TRP6 19 1.020 45.657 28.133 60.033 -99.200 -91.000 PHE 25 1.000 52.979 31.195 49.266 -99.200 -91.000 HIS 48 0.900 26.186 29.430 77.325 -99.200 -91.000 PHE 52 1.000 26.538 22.700 62.311 -99.200 -91.000 HIS 53 0.900 32.229 26.599 57.645 -99.200 -91.000 PHE 60 1.000 31.499 16.726 49.225 -99.200 -91.000 HIS 70 0.900 31.344 11.817 61.403 -99.200 -91.000 PHE 74 1.000 28.363 19.489 67.382 -99.200 -91.000 PHE 93 1.000 34.381 27.748 52.831 -99.200 -91.000 HIS 95 0.900 33.939 18.955 45.506 -99.200 -91.000 PHE 98 1.000 30.091 24.238 46.235 -99.200 -91.000 PHE 103 1.000 23.493 30.211 47.876 -99.200 -91.000 TYR 113 0.840 26.332 19.804 45.284 -99.200 -91.000 TYR 133 0.840 22.577 27.770 57.298 -99.200 -91.000 TRP 136 1.040 32.855 34.348 53.497 -99.200 -91.000 TRP6 136 1.020 34.518 32.736 52.927 -99.200 -91.000 PHE 161 1.000 21.691 35.045 50.287 -99.200 -91.000 TYR 167 0.840 13.691 24.164 53.305 -99.200 -91.000 TYR 173 0.840 13.015 24.546 59.410 -99.200 -91.000 PHE 177 1.000 18.366 32.073 55.405 -99.200 -91.000 HIS 197 0.900 29.663 47.512 48.534 -99.200 -91.000 PHE 201 1.000 21.653 40.354 47.686 -99.200 -91.000 TYR 211 0.840 16.886 36.951 53.442 -99.200 -91.000 HIS 219 0.900 35.786 38.457 56.417 -99.200 -91.000 PHE 227 1.000 33.799 44.809 62.519 -99.200 -91.000 HIS 229 0.900 33.357 55.501 61.746 -99.200 -91.000 TRP 236 1.040 20.667 54.937 61.788 -99.200 -91.000 TRP6 236 1.020 20.191 55.295 59.498 -99.200 -91.000 PHE 241 1.000 18.908 39.757 61.361 -99.200 -91.000 HIS 242 0.900 27.033 34.998 64.595 -99.200 -91.000 TYR 253 0.840 48.196 37.180 55.499 -99.200 -91.000 PHE 259 1.000 37.704 41.504 69.982 -99.200 -91.000 PHE 268 1.000 38.128 51.860 74.605 -99.200 -91.000 TRP 269 1.040 37.606 53.906 69.957 -99.200 -91.000 TRP6 269 1.020 36.575 55.290 71.594 -99.200 -91.000 TYR 279 0.840 25.619 41.349 69.057 -99.200 -91.000 HIS 284 0.900 31.341 32.620 65.371 -99.200 -91.000 PHE 285 1.000 35.823 35.656 70.813 -99.200 -91.000 PHE 287 1.000 40.989 31.882 67.575 -99.200 -91.000 PHE 295 1.000 45.853 19.687 68.362 -99.200 -91.000 TRP 299 1.040 43.196 23.468 73.409 -99.200 -91.000 TRP6 299 1.020 41.153 23.601 72.219 -99.200 -91.000 TYR 309 0.840 33.277 41.360 74.143 -99.200 -91.000 PHE 319 1.000 35.705 57.111 76.897 -99.200 -91.000 PHE 356 1.000 22.488 81.415 54.157 -99.200 -91.000 PHE 359 1.000 26.191 79.682 62.103 -99.200 -91.000 PHE 371 1.000 35.541 66.222 67.899 -99.200 -91.000 HIS 381 0.900 38.607 55.813 81.986 -99.200 -91.000