============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 21 1.000 -47.920 -18.822 -62.853 -99.200 -91.000 HIS 32 0.900 -37.637 -26.205 -69.597 -99.200 -91.000 PHE 56 1.000 -55.012 -9.206 -73.256 -99.200 -91.000 TYR 66 0.840 -42.462 -20.029 -54.100 -99.200 -91.000 TYR 84 0.840 -57.136 -19.986 -45.072 -99.200 -91.000 TYR 89 0.840 -52.343 -36.782 -52.847 -99.200 -91.000 TRP 104 1.040 -50.410 -16.673 -45.535 -99.200 -91.000 TRP6 104 1.020 -50.847 -14.510 -46.392 -99.200 -91.000 PHE 119 1.000 -58.676 -25.459 -47.502 -99.200 -91.000 TYR 122 0.840 -56.210 -33.499 -53.082 -99.200 -91.000 TYR 123 0.840 -66.040 -35.091 -48.877 -99.200 -91.000 TYR 138 0.840 -59.046 -27.304 -41.782 -99.200 -91.000 PHE 153 1.000 -64.759 -21.593 -48.495 -99.200 -91.000 TYR 154 0.840 -64.565 -17.816 -56.324 -99.200 -91.000 TYR 160 0.840 -59.128 -39.082 -51.793 -99.200 -91.000 PHE 172 1.000 -61.562 -40.953 -59.893 -99.200 -91.000 HIS 178 0.900 -71.580 -42.221 -55.878 -99.200 -91.000 PHE 186 1.000 -67.585 -30.460 -48.562 -99.200 -91.000 PHE 191 1.000 -70.463 -28.331 -45.207 -99.200 -91.000 PHE 205 1.000 -61.061 -44.081 -70.129 -99.200 -91.000 PHE 209 1.000 -65.723 -35.192 -77.220 -99.200 -91.000 PHE 216 1.000 -68.653 -43.229 -68.563 -99.200 -91.000 PHE 225 1.000 -70.169 -32.323 -69.067 -99.200 -91.000 TYR 236 0.840 -71.803 -25.885 -62.287 -99.200 -91.000 TYR 238 0.840 -67.620 -27.445 -66.036 -99.200 -91.000 PHE 248 1.000 -61.180 -26.505 -69.529 -99.200 -91.000 PHE 254 1.000 -70.757 -33.898 -74.669 -99.200 -91.000 PHE 262 1.000 -69.314 -23.771 -68.821 -99.200 -91.000 TRP 272 1.040 -49.838 -20.142 -66.426 -99.200 -91.000 TRP6 272 1.020 -48.430 -21.804 -65.486 -99.200 -91.000 TYR 279 0.840 -37.942 -16.256 -65.651 -99.200 -91.000 TRP 290 1.040 -44.366 -18.252 -75.512 -99.200 -91.000 TRP6 290 1.020 -46.238 -18.667 -74.129 -99.200 -91.000 PHE 296 1.000 -54.552 -11.342 -77.408 -99.200 -91.000 TRP 313 1.040 -71.315 -14.610 -61.042 -99.200 -91.000 TRP6 313 1.020 -72.336 -13.010 -59.611 -99.200 -91.000