============================================================================= 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. TRP 13 1.040 -22.732 -98.066 -46.207 -99.200 -91.000 TRP6 13 1.020 -23.311 -95.775 -45.874 -99.200 -91.000 TYR 28 0.840 -34.880 -89.615 -57.349 -99.200 -91.000 TYR 31 0.840 -39.687 -87.767 -49.280 -99.200 -91.000 TYR 48 0.840 -31.898 -78.841 -48.213 -99.200 -91.000 PHE 50 1.000 -30.976 -87.949 -54.992 -99.200 -91.000 TYR 52 0.840 -27.773 -79.621 -47.403 -99.200 -91.000 TYR 64 0.840 -29.582 -76.625 -52.991 -99.200 -91.000 TYR 72 0.840 -27.747 -70.206 -62.037 -99.200 -91.000 PHE 77 1.000 -10.202 -71.989 -66.613 -99.200 -91.000 PHE 109 1.000 -13.203 -81.418 -53.605 -99.200 -91.000 TRP 111 1.040 -12.788 -85.857 -51.602 -99.200 -91.000 TRP6 111 1.020 -14.976 -85.803 -52.538 -99.200 -91.000 TYR 135 0.840 -29.444 -75.147 -77.465 -99.200 -91.000 HIS 137 0.900 -18.605 -74.700 -79.945 -99.200 -91.000 TYR 152 0.840 -30.397 -76.132 -61.956 -99.200 -91.000 PHE 156 1.000 -30.507 -76.190 -69.440 -99.200 -91.000 PHE 161 1.000 -34.667 -73.761 -75.546 -99.200 -91.000 TYR 180 0.840 -33.427 -89.015 -67.853 -99.200 -91.000 HIS 183 0.900 -32.423 -96.036 -62.375 -99.200 -91.000 TYR 203 0.840 -14.864 -79.111 -58.936 -99.200 -91.000 HIS 218 0.900 -24.945 -94.712 -68.135 -99.200 -91.000 PHE 229 1.000 -39.789 -93.568 -80.863 -99.200 -91.000 TRP 241 1.040 -38.324 -99.950 -88.790 -99.200 -91.000 TRP6 241 1.020 -37.817-100.310 -86.480 -99.200 -91.000 PHE 242 1.000 -41.676-105.666 -83.047 -99.200 -91.000 PHE 256 1.000 -39.724-101.789 -75.659 -99.200 -91.000 HIS 258 0.900 -32.515-100.076 -65.941 -99.200 -91.000 TYR 261 0.840 -36.439 -99.488 -63.279 -99.200 -91.000 TYR 264 0.840 -44.098 -98.814 -69.308 -99.200 -91.000 PHE 271 1.000 -38.950 -88.439 -68.598 -99.200 -91.000 HIS 286 0.900 -50.751 -86.715 -82.163 -99.200 -91.000 TYR 289 0.840 -47.762 -90.276 -77.167 -99.200 -91.000 PHE 298 1.000 -46.962-104.317 -83.854 -99.200 -91.000 PHE 303 1.000 -38.485-108.068 -78.248 -99.200 -91.000 TYR 309 0.840 -42.507-105.276 -69.396 -99.200 -91.000 TYR 314 0.840 -40.461 -96.609 -76.851 -99.200 -91.000 PHE 315 1.000 -43.299 -93.549 -74.302 -99.200 -91.000 TYR 320 0.840 -34.596 -84.339 -72.237 -99.200 -91.000 PHE 325 1.000 -32.868 -78.039 -74.556 -99.200 -91.000 TYR 332 0.840 -33.210 -84.998 -77.444 -99.200 -91.000 PHE 336 1.000 -28.651 -90.324 -68.206 -99.200 -91.000 TRP 344 1.040 -23.062 -89.185 -62.283 -99.200 -91.000 TRP6 344 1.020 -22.785 -87.887 -64.279 -99.200 -91.000 HIS 347 0.900 -25.200 -92.758 -55.389 -99.200 -91.000 PHE 348 1.000 -18.920 -88.887 -57.992 -99.200 -91.000 TYR 351 0.840 -16.642 -95.394 -51.921 -99.200 -91.000 TYR 365 0.840 -0.917-114.050 -66.872 -99.200 -91.000 TYR 373 0.840 14.281-108.595 -74.527 -99.200 -91.000