============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. TYR 18 0.840 24.311 -15.091 -28.875 -99.200 -91.000 HIS 28 0.900 19.420 -1.582 -18.298 -99.200 -91.000 PHE 29 1.000 15.207 -5.069 -19.534 -99.200 -91.000 PHE 30 1.000 17.955 -6.752 -9.391 -99.200 -91.000 TYR 35 0.840 16.053 -9.783 -22.162 -99.200 -91.000 TYR 36 0.840 17.961 -12.111 -14.006 -99.200 -91.000 TYR 38 0.840 14.161 -14.091 -23.410 -99.200 -91.000 PHE 49 1.000 23.026 -17.561 -16.212 -99.200 -91.000 TYR 50 0.840 19.002 -22.328 -12.309 -99.200 -91.000 TYR 57 0.840 9.564 -15.633 -10.113 -99.200 -91.000 PHE 69 1.000 12.980 -20.235 -11.251 -99.200 -91.000 HIS 80 0.900 23.768 -18.579 -3.645 -99.200 -91.000 PHE 97 1.000 5.436 -22.616 10.387 -99.200 -91.000 PHE 102 1.000 18.184 -30.122 5.996 -99.200 -91.000 PHE 113 1.000 25.942 -16.276 7.018 -99.200 -91.000 PHE 152 1.000 -7.502 -35.443 42.274 -99.200 -91.000 PHE 153 1.000 -8.437 -40.206 43.449 -99.200 -91.000 PHE 156 1.000 -10.273 -36.548 48.202 -99.200 -91.000 HIS 159 0.900 -9.572 -47.981 56.290 -99.200 -91.000 TYR 171 0.840 -37.370 -49.610 45.931 -99.200 -91.000 TYR 175 0.840 -25.085 -52.608 48.481 -99.200 -91.000 TYR 186 0.840 -10.097 -43.365 48.194 -99.200 -91.000 TYR 193 0.840 -4.314 -44.962 41.836 -99.200 -91.000 TYR 207 0.840 -25.514 -46.956 41.658 -99.200 -91.000 HIS 208 0.900 -25.985 -42.390 33.904 -99.200 -91.000 TYR 230 0.840 -14.726 -41.028 44.811 -99.200 -91.000 PHE 234 1.000 -10.598 -42.726 38.568 -99.200 -91.000 HIS 235 0.900 -15.794 -39.313 31.958 -99.200 -91.000 PHE 236 1.000 -9.399 -32.484 37.054 -99.200 -91.000 HIS 255 0.900 -26.697 -37.015 49.318 -99.200 -91.000 TYR 261 0.840 -21.682 -27.876 45.343 -99.200 -91.000 PHE 263 1.000 -13.609 -35.474 43.640 -99.200 -91.000 PHE 277 1.000 -10.780 -23.323 43.610 -99.200 -91.000 PHE 278 1.000 -10.856 -18.747 46.339 -99.200 -91.000 PHE 280 1.000 -18.516 -24.439 41.055 -99.200 -91.000 PHE 281 1.000 -12.632 -26.005 46.771 -99.200 -91.000 TYR 291 0.840 -14.688 -34.343 52.981 -99.200 -91.000 TYR 295 0.840 -12.547 -26.245 56.237 -99.200 -91.000 TYR 296 0.840 -4.130 -30.664 50.735 -99.200 -91.000 HIS 297 0.900 -8.318 -30.917 46.748 -99.200 -91.000 TYR 302 0.840 -8.003 -18.592 50.040 -99.200 -91.000 PHE 303 1.000 1.929 -22.859 48.838 -99.200 -91.000 TYR 308 0.840 2.753 -16.411 49.937 -99.200 -91.000 PHE 315 1.000 -2.376 -25.595 52.461 -99.200 -91.000 TYR 327 0.840 -0.073 -35.786 50.388 -99.200 -91.000 TYR 329 0.840 0.865 -32.848 60.394 -99.200 -91.000 TYR 337 0.840 12.063 -23.005 49.601 -99.200 -91.000 PHE 342 1.000 16.231 -24.492 54.212 -99.200 -91.000 PHE 348 1.000 4.666 -27.256 60.047 -99.200 -91.000 PHE 349 1.000 9.253 -30.033 54.264 -99.200 -91.000 PHE 356 1.000 2.012 -37.584 59.767 -99.200 -91.000 PHE 365 1.000 5.235 -32.920 48.536 -99.200 -91.000 PHE 366 1.000 14.464 -30.526 54.187 -99.200 -91.000 PHE 376 1.000 21.646 -28.777 42.367 -99.200 -91.000 TYR 383 0.840 14.517 -35.846 45.270 -99.200 -91.000 HIS 397 0.900 2.406 -44.050 51.550 -99.200 -91.000 PHE 417 1.000 24.245 -39.418 29.836 -99.200 -91.000 PHE 458 1.000 11.982 -35.261 23.884 -99.200 -91.000 PHE 477 1.000 11.421 -30.551 25.970 -99.200 -91.000