============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TRP 17 1.040 28.217 49.554 55.263 -99.200 -91.000 TRP6 17 1.020 30.164 48.516 56.105 -99.200 -91.000 PHE 29 1.000 26.548 33.758 45.445 -99.200 -91.000 HIS 38 0.900 31.672 46.443 35.927 -99.200 -91.000 PHE 43 1.000 33.677 43.156 46.788 -99.200 -91.000 PHE 95 1.000 32.508 55.072 45.040 -99.200 -91.000 TYR 98 0.840 35.839 53.853 53.223 -99.200 -91.000 HIS 106 0.900 30.628 43.121 59.031 -99.200 -91.000 PHE 144 1.000 10.342 36.676 39.051 -99.200 -91.000 HIS 147 0.900 6.217 39.235 25.801 -99.200 -91.000 PHE 148 1.000 5.536 40.934 32.521 -99.200 -91.000 TYR 151 0.840 17.943 40.709 27.030 -99.200 -91.000 TYR 152 0.840 15.809 48.040 22.955 -99.200 -91.000 TYR 161 0.840 -0.817 68.179 33.236 -99.200 -91.000 PHE 170 1.000 -5.713 67.654 19.533 -99.200 -91.000 TYR 175 0.840 -8.754 56.062 13.845 -99.200 -91.000 TYR 176 0.840 -1.692 58.040 24.139 -99.200 -91.000 TYR 185 0.840 7.815 67.181 10.021 -99.200 -91.000 PHE 188 1.000 10.816 68.429 16.696 -99.200 -91.000 HIS 189 0.900 13.272 66.451 8.576 -99.200 -91.000 HIS 198 0.900 25.294 61.963 25.056 -99.200 -91.000 HIS 201 0.900 29.210 53.571 26.365 -99.200 -91.000 PHE 202 1.000 20.302 50.410 20.955 -99.200 -91.000 TYR 216 0.840 9.007 67.301 5.076 -99.200 -91.000 PHE 221 1.000 4.722 57.572 5.433 -99.200 -91.000 PHE 238 1.000 2.426 68.739 7.803 -99.200 -91.000 TRP 252 1.040 1.404 64.014 31.930 -99.200 -91.000 TRP6 252 1.020 -0.504 63.433 30.673 -99.200 -91.000 PHE 257 1.000 9.268 63.101 19.379 -99.200 -91.000 TRP 263 1.040 20.774 63.756 28.636 -99.200 -91.000 TRP6 263 1.020 20.831 63.176 30.919 -99.200 -91.000 TYR 283 0.840 17.386 66.594 29.650 -99.200 -91.000 HIS 286 0.900 21.749 53.653 28.440 -99.200 -91.000 TYR 290 0.840 14.544 48.527 31.593 -99.200 -91.000 PHE 303 1.000 11.990 40.048 41.702 -99.200 -91.000 TYR 310 0.840 13.883 41.518 49.688 -99.200 -91.000 TYR 321 0.840 28.434 55.956 38.348 -99.200 -91.000 PHE 329 1.000 19.040 52.471 53.622 -99.200 -91.000 TYR 358 0.840 8.349 56.637 37.577 -99.200 -91.000 PHE 367 1.000 9.806 50.814 34.741 -99.200 -91.000 TYR 370 0.840 17.681 61.107 35.069 -99.200 -91.000 TRP 373 1.040 14.247 68.983 42.302 -99.200 -91.000 TRP6 373 1.020 14.399 68.404 44.592 -99.200 -91.000 TYR 391 0.840 18.754 69.408 50.407 -99.200 -91.000 PHE 398 1.000 16.100 58.555 53.928 -99.200 -91.000 TRP 401 1.040 10.973 55.290 56.485 -99.200 -91.000 TRP6 401 1.020 12.975 54.435 55.573 -99.200 -91.000