============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 6 1.000 -46.913 1.970 7.967 -99.200 -91.000 TYR 9 0.840 -44.614 -11.316 13.159 -99.200 -91.000 TYR 25 0.840 -54.735 7.219 -2.977 -99.200 -91.000 TRP 26 1.040 -52.209 9.121 1.000 -99.200 -91.000 TRP6 26 1.020 -51.216 10.026 -0.941 -99.200 -91.000 TYR 83 0.840 -50.514 -15.038 1.873 -99.200 -91.000 TYR 84 0.840 -54.313 -21.032 -6.521 -99.200 -91.000 HIS 100 0.900 -55.425 -13.296 16.289 -99.200 -91.000 TYR 105 0.840 -58.035 -4.544 16.918 -99.200 -91.000 PHE 108 1.000 -53.724 -2.107 4.208 -99.200 -91.000 TYR 150 0.840 -57.400 -22.272 -2.263 -99.200 -91.000 PHE 151 1.000 -64.237 -26.792 -4.215 -99.200 -91.000 TYR 194 0.840 -70.573 -21.005 16.199 -99.200 -91.000 PHE 201 1.000 -64.889 -11.606 13.256 -99.200 -91.000 HIS 204 0.900 -65.696 -19.550 18.020 -99.200 -91.000 HIS 205 0.900 -63.783 -11.424 18.921 -99.200 -91.000 PHE 232 1.000 -60.491 -24.186 8.377 -99.200 -91.000 TYR 250 0.840 -52.556 -26.600 22.189 -99.200 -91.000 PHE 258 1.000 -50.088 -31.341 8.316 -99.200 -91.000 PHE 273 1.000 -38.110 -26.846 14.601 -99.200 -91.000 TYR 288 0.840 -40.601 -40.439 10.974 -99.200 -91.000 TRP 295 1.040 -36.162 -17.793 10.661 -99.200 -91.000 TRP6 295 1.020 -33.895 -17.252 11.086 -99.200 -91.000 HIS 299 0.900 -47.648 -13.381 7.863 -99.200 -91.000 HIS 320 0.900 -50.317 -17.827 10.546 -99.200 -91.000 PHE 322 1.000 -45.815 -20.548 7.195 -99.200 -91.000 PHE 323 1.000 -48.613 -29.257 4.180 -99.200 -91.000 TRP 327 1.040 -50.276 -24.941 -1.074 -99.200 -91.000 TRP6 327 1.020 -52.178 -25.123 -2.454 -99.200 -91.000 PHE 328 1.000 -49.209 -23.022 -5.888 -99.200 -91.000 PHE 330 1.000 -50.208 -20.103 -0.763 -99.200 -91.000 TYR 335 0.840 -52.174 -27.970 0.216 -99.200 -91.000 HIS 353 0.900 -56.525 -44.936 20.195 -99.200 -91.000 PHE 355 1.000 -52.717 -35.596 15.080 -99.200 -91.000 PHE 358 1.000 -46.678 -38.718 15.536 -99.200 -91.000 PHE 377 1.000 -38.796 -5.370 19.641 -99.200 -91.000 TRP 389 1.040 -29.716 -18.140 29.452 -99.200 -91.000 TRP6 389 1.020 -31.859 -17.509 30.194 -99.200 -91.000 TYR 404 0.840 -32.088 -25.669 30.464 -99.200 -91.000 TRP 408 1.040 -38.934 -26.882 24.725 -99.200 -91.000 TRP6 408 1.020 -40.086 -24.920 24.122 -99.200 -91.000 PHE 424 1.000 -40.847 -21.287 31.166 -99.200 -91.000 PHE 439 1.000 -35.900 -19.567 30.261 -99.200 -91.000 PHE 454 1.000 -42.125 -17.385 34.403 -99.200 -91.000