============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 3 0.840 2.820 37.211 13.647 -99.200 -91.000 PHE 8 1.000 0.364 52.782 13.823 -99.200 -91.000 TYR 33 0.840 16.732 44.568 -15.986 -99.200 -91.000 PHE 36 1.000 20.558 53.216 -3.110 -99.200 -91.000 TYR 44 0.840 1.282 48.694 -3.052 -99.200 -91.000 TRP 61 1.040 2.724 65.591 9.883 -99.200 -91.000 TRP6 61 1.020 3.713 67.108 8.337 -99.200 -91.000 TYR 71 0.840 22.206 81.027 13.205 -99.200 -91.000 PHE 77 1.000 19.200 73.121 22.407 -99.200 -91.000 TYR 78 0.840 16.719 76.599 25.409 -99.200 -91.000 HIS 79 0.900 9.193 69.292 23.301 -99.200 -91.000 PHE 88 1.000 18.289 58.653 23.922 -99.200 -91.000 PHE 90 1.000 23.868 59.506 27.134 -99.200 -91.000 HIS 92 0.900 26.642 68.946 29.519 -99.200 -91.000 HIS 97 0.900 23.136 66.633 8.424 -99.200 -91.000 TYR 116 0.840 44.745 49.599 18.162 -99.200 -91.000 TYR 122 0.840 31.999 47.551 9.306 -99.200 -91.000 PHE 123 1.000 25.355 52.663 8.813 -99.200 -91.000 TYR 128 0.840 35.128 58.384 5.504 -99.200 -91.000 HIS 129 0.900 32.233 61.025 9.763 -99.200 -91.000 PHE 137 1.000 35.478 48.092 13.693 -99.200 -91.000 HIS 146 0.900 31.602 38.597 12.401 -99.200 -91.000 PHE 154 1.000 18.897 40.070 24.685 -99.200 -91.000 TYR 177 0.840 34.756 56.463 20.175 -99.200 -91.000 HIS 207 0.900 41.170 47.852 32.317 -99.200 -91.000 PHE 212 1.000 32.035 58.933 23.934 -99.200 -91.000 TYR 213 0.840 25.438 52.389 24.994 -99.200 -91.000 TYR 223 0.840 9.242 44.171 21.870 -99.200 -91.000 PHE 224 1.000 14.707 42.365 19.110 -99.200 -91.000 PHE 232 1.000 16.544 44.293 32.199 -99.200 -91.000 HIS 242 0.900 17.400 57.628 32.845 -99.200 -91.000 PHE 245 1.000 20.873 55.688 25.107 -99.200 -91.000 TYR 247 0.840 24.346 49.754 32.662 -99.200 -91.000 PHE 265 1.000 19.397 62.791 20.166 -99.200 -91.000 PHE 274 1.000 27.120 71.086 26.248 -99.200 -91.000 TYR 284 0.840 33.110 69.803 10.172 -99.200 -91.000 TYR 290 0.840 21.225 76.369 13.261 -99.200 -91.000 TYR 311 0.840 4.886 46.229 25.482 -99.200 -91.000 TYR 313 0.840 6.729 52.940 17.711 -99.200 -91.000 HIS 316 0.900 2.424 47.559 14.376 -99.200 -91.000 TYR 323 0.840 2.363 38.725 8.956 -99.200 -91.000 HIS 342 0.900 17.357 47.301 10.811 -99.200 -91.000 PHE 345 1.000 19.669 42.988 6.784 -99.200 -91.000 PHE 351 1.000 14.673 33.907 -3.337 -99.200 -91.000 HIS 354 0.900 19.542 30.405 -10.138 -99.200 -91.000 PHE 360 1.000 27.398 41.869 -10.778 -99.200 -91.000 TYR 370 0.840 9.633 48.441 -9.229 -99.200 -91.000 HIS 394 0.900 32.922 42.399 -8.966 -99.200 -91.000 HIS 395 0.900 36.692 45.968 -1.804 -99.200 -91.000 TYR 411 0.840 5.378 50.669 3.520 -99.200 -91.000 TYR 413 0.840 0.635 42.725 11.415 -99.200 -91.000 HIS 415 0.900 0.716 48.607 2.708 -99.200 -91.000 TYR 427 0.840 12.829 29.257 -1.688 -99.200 -91.000 HIS 429 0.900 9.016 31.528 -10.826 -99.200 -91.000 PHE 438 1.000