============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 1 0.900 -70.286 22.055 -21.501 -99.200 -91.000 PHE 18 1.000 -54.505 -8.626 -13.385 -99.200 -91.000 PHE 19 1.000 -49.164 -9.453 -10.920 -99.200 -91.000 HIS 29 0.900 -58.126 -26.543 -3.214 -99.200 -91.000 TYR 40 0.840 -37.050 -13.948 -7.090 -99.200 -91.000 TRP 43 1.040 -33.765 -11.161 2.202 -99.200 -91.000 TRP6 43 1.020 -31.605 -11.325 3.162 -99.200 -91.000 TYR 53 0.840 -59.330 -5.023 -1.804 -99.200 -91.000 PHE 58 1.000 -56.192 -11.455 9.433 -99.200 -91.000 TRP 65 1.040 -38.447 -8.482 3.651 -99.200 -91.000 TRP6 65 1.020 -37.677 -8.970 1.467 -99.200 -91.000 TYR 93 0.840 -48.871 -13.277 -12.056 -99.200 -91.000 PHE 107 1.000 -67.869 -2.948 -23.363 -99.200 -91.000 TYR 119 0.840 -55.698 6.641 -17.023 -99.200 -91.000 TYR 147 0.840 -70.323 3.566 -3.166 -99.200 -91.000 PHE 170 1.000 -82.506 5.589 -4.887 -99.200 -91.000 TRP 172 1.040 -75.631 11.797 -10.730 -99.200 -91.000 TRP6 172 1.020 -74.181 13.657 -10.904 -99.200 -91.000 PHE 208 1.000 -58.831 -12.531 -13.918 -99.200 -91.000 HIS 216 0.900 -66.692 16.068 -17.049 -99.200 -91.000 HIS 238 0.900 -65.530 21.602 -13.153 -99.200 -91.000 PHE 245 1.000 -58.847 18.040 -6.597 -99.200 -91.000 TYR 272 0.840 -55.687 19.166 3.736 -99.200 -91.000 PHE 279 1.000 -50.124 29.636 -3.448 -99.200 -91.000 HIS 287 0.900 -42.775 29.841 -5.724 -99.200 -91.000 PHE 288 1.000 -44.220 24.623 -7.327 -99.200 -91.000 TRP 295 1.040 -50.830 18.735 -15.002 -99.200 -91.000 TRP6 295 1.020 -50.851 17.910 -12.787 -99.200 -91.000 TYR 297 0.840 -54.634 29.226 -12.659 -99.200 -91.000 HIS 305 0.900 -57.779 20.769 -21.092 -99.200 -91.000 PHE 323 1.000 -27.954 -10.670 -10.808 -99.200 -91.000 TRP 337 1.040 -26.059 -19.462 -16.772 -99.200 -91.000 TRP6 337 1.020 -27.665 -19.155 -15.062 -99.200 -91.000 TRP 338 1.040 -27.101 -14.561 -13.296 -99.200 -91.000 TRP6 338 1.020 -29.324 -15.126 -12.716 -99.200 -91.000 TYR 388 0.840 -37.490 -9.887 -32.347 -99.200 -91.000 HIS 391 0.900 -26.874 -18.895 -27.619 -99.200 -91.000 HIS 395 0.900 -20.618 -11.364 -29.056 -99.200 -91.000 PHE 398 1.000 -18.853 -10.159 -21.519 -99.200 -91.000 TRP 413 1.040 -17.693 -7.437 -13.765 -99.200 -91.000 TRP6 413 1.020 -18.126 -7.224 -16.071 -99.200 -91.000 PHE 421 1.000 -34.204 -2.586 -18.247 -99.200 -91.000 PHE 427 1.000 -41.101 -3.242 -29.672 -99.200 -91.000