============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 3 1.000 58.645 38.943 -4.694 -99.200 -91.000 TYR 9 0.840 43.421 32.382 -3.666 -99.200 -91.000 TYR 14 0.840 46.151 36.522 -4.615 -99.200 -91.000 PHE 23 1.000 52.056 40.794 7.697 -99.200 -91.000 TRP 59 1.040 36.954 18.925 -1.157 -99.200 -91.000 TRP6 59 1.020 38.129 18.466 -3.171 -99.200 -91.000 TYR 114 0.840 50.281 8.132 3.010 -99.200 -91.000 TYR 115 0.840 47.212 12.120 4.440 -99.200 -91.000 PHE 134 1.000 22.130 -3.128 9.229 -99.200 -91.000 TYR 136 0.840 24.427 2.768 8.073 -99.200 -91.000 TRP 151 1.040 59.048 31.396 12.894 -99.200 -91.000 TRP6 151 1.020 61.189 30.392 13.073 -99.200 -91.000 TYR 153 0.840 61.549 22.495 7.370 -99.200 -91.000 TRP 160 1.040 54.196 17.513 5.552 -99.200 -91.000 TRP6 160 1.020 55.742 16.758 7.212 -99.200 -91.000 PHE 174 1.000 48.627 27.400 6.549 -99.200 -91.000 TYR 191 0.840 45.626 22.641 -2.096 -99.200 -91.000 PHE 201 1.000 45.079 26.281 1.521 -99.200 -91.000 TRP 214 1.040 39.701 38.504 15.997 -99.200 -91.000 TRP6 214 1.020 40.744 40.129 14.593 -99.200 -91.000 HIS 218 0.900 33.119 32.032 12.795 -99.200 -91.000 PHE 226 1.000 49.913 26.985 17.399 -99.200 -91.000 PHE 261 1.000 72.610 3.534 24.342 -99.200 -91.000 PHE 278 1.000 75.395 22.758 14.513 -99.200 -91.000 PHE 279 1.000 68.380 19.925 6.162 -99.200 -91.000 PHE 292 1.000 71.432 12.979 27.688 -99.200 -91.000 HIS 294 0.900 80.708 5.379 28.796 -99.200 -91.000 PHE 301 1.000 79.594 13.333 19.677 -99.200 -91.000 PHE 324 1.000 74.474 27.407 10.033 -99.200 -91.000 PHE 330 1.000 68.314 41.358 10.555 -99.200 -91.000 HIS 332 0.900 64.636 32.181 16.409 -99.200 -91.000 TYR 339 0.840 67.429 30.493 25.190 -99.200 -91.000 PHE 362 1.000 78.740 35.805 5.105 -99.200 -91.000 TYR 367 0.840 74.172 35.232 6.890 -99.200 -91.000 PHE 373 1.000 77.507 27.232 24.862 -99.200 -91.000 PHE 388 1.000 62.425 26.485 15.838 -99.200 -91.000 TYR 397 0.840 75.922 7.779 28.223 -99.200 -91.000 TYR 412 0.840 60.052 21.491 25.736 -99.200 -91.000 HIS 427 0.900 64.493 -3.136 17.484 -99.200 -91.000 HIS 431 0.900 60.578 -1.531 21.940 -99.200 -91.000 TRP 439 1.040 64.083 9.754 12.951 -99.200 -91.000 TRP6 439 1.020 63.697 11.929 13.817 -99.200 -91.000 TRP 443 1.040 67.371 13.969 14.510 -99.200 -91.000 TRP6 443 1.020 67.330 13.222 16.773 -99.200 -91.000 TYR 455 0.840 55.028 9.255 23.641 -99.200 -91.000 HIS 471 0.900 42.764 10.396 14.835 -99.200 -91.000 TYR 472 0.840 42.775 17.357 9.521 -99.200 -91.000 TYR 485 0.840 11.501 1.461 21.269 -99.200 -91.000 PHE 489 1.000 8.568 5.092 31.059 -99.200 -91.000