============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 31 1.000 -80.226 9.875 -55.758 -99.200 -91.000 PHE 66 1.000 -74.467 6.996 -49.317 -99.200 -91.000 PHE 67 1.000 -77.236 6.452 -53.435 -99.200 -91.000 TYR 69 0.840 -72.933 16.457 -48.473 -99.200 -91.000 TRP 74 1.040 -66.072 9.218 -58.688 -99.200 -91.000 TRP6 74 1.020 -66.332 10.341 -60.748 -99.200 -91.000 TYR 86 0.840 -69.058 3.489 -51.552 -99.200 -91.000 TYR 104 0.840 -82.961 9.373 -40.441 -99.200 -91.000 PHE 114 1.000 -61.508 8.350 -36.271 -99.200 -91.000 TYR 116 0.840 -67.244 1.071 -41.994 -99.200 -91.000 HIS 119 0.900 -63.847 -0.825 -46.179 -99.200 -91.000 PHE 151 1.000 -69.229 10.162 -47.647 -99.200 -91.000 HIS 153 0.900 -61.372 3.790 -43.386 -99.200 -91.000 PHE 161 1.000 -44.601 11.964 -34.917 -99.200 -91.000 TYR 163 0.840 -46.583 20.760 -40.467 -99.200 -91.000 PHE 170 1.000 -54.719 3.660 -50.063 -99.200 -91.000 TRP 177 1.040 -59.113 26.553 -49.968 -99.200 -91.000 TRP6 177 1.020 -60.359 28.550 -50.122 -99.200 -91.000 PHE 213 1.000 -49.928 21.411 -37.852 -99.200 -91.000 PHE 217 1.000 -51.321 23.991 -43.336 -99.200 -91.000 TYR 240 0.840 -50.913 0.127 -31.106 -99.200 -91.000 HIS 270 0.900 -76.543 4.072 -28.041 -99.200 -91.000 PHE 272 1.000 -70.459 9.409 -21.970 -99.200 -91.000 PHE 283 1.000 -71.916 20.107 -26.423 -99.200 -91.000 TYR 288 0.840 -72.164 25.394 -28.897 -99.200 -91.000 TYR 298 0.840 -53.812 39.984 -26.919 -99.200 -91.000 TYR 299 0.840 -49.917 32.405 -27.521 -99.200 -91.000 TYR 304 0.840 -39.486 26.563 -30.586 -99.200 -91.000 HIS 327 0.900 -66.318 38.395 -25.875 -99.200 -91.000 PHE 332 1.000 -51.742 32.998 -19.968 -99.200 -91.000 TYR 339 0.840 -39.526 21.845 -19.175 -99.200 -91.000 PHE 350 1.000 -40.156 10.926 -32.239 -99.200 -91.000 PHE 357 1.000 -42.800 7.048 -36.462 -99.200 -91.000 PHE 361 1.000 -42.059 4.917 -41.317 -99.200 -91.000 PHE 365 1.000 -40.973 1.399 -52.077 -99.200 -91.000 TRP 382 1.040 -22.753 6.130 -31.207 -99.200 -91.000 TRP6 382 1.020 -21.408 7.335 -32.736 -99.200 -91.000 PHE 383 1.000 -23.836 10.967 -36.277 -99.200 -91.000 PHE 395 1.000 -27.457 26.326 -37.808 -99.200 -91.000 PHE 401 1.000 -36.594 17.018 -33.937 -99.200 -91.000 TRP 414 1.040 -41.814 5.439 -13.826 -99.200 -91.000 TRP6 414 1.020 -41.235 4.192 -11.918 -99.200 -91.000 HIS 418 0.900 -43.258 14.934 -10.419 -99.200 -91.000 TYR 423 0.840 -45.241 23.589 -19.657 -99.200 -91.000 TRP 431 1.040 -56.728 29.648 -17.967 -99.200 -91.000 TRP6 431 1.020 -56.673 29.016 -20.240 -99.200 -91.000 TYR 462 0.840 -47.568 30.003 -33.392 -99.200 -91.000 TYR 466 0.840 -52.195 25.718 -26.347 -99.200 -91.000 PHE 471 1.000 -54.319 23.774 -20.776 -99.200 -91.000 TYR 492 0.840 -41.141 33.677 -41.341 -99.200 -91.000 TYR 495 0.840 -39.599 34.920 -33.292 -99.200 -91.000 PHE 496 1.000 -35.307 29.413 -32.419 -99.200 -91.000 TRP 500 1.040 -36.498 22.227 -38.545 -99.200 -91.000 TRP6 500 1.020 -36.650 21.749 -36.237 -99.200 -91.000 TRP 525 1.040 -61.200 16.899 -17.990 -99.200 -91.000 TRP6 525 1.020 -61.389 14.942 -19.286 -99.200 -91.000 PHE 533 1.000 -62.090 32.540 -27.797 -99.200 -91.000