============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. HIS 1 0.900 -44.656 51.597 -14.300 -99.200 -91.000 PHE 8 1.000 -43.300 33.809 -17.508 -99.200 -91.000 PHE 10 1.000 -39.388 28.105 -16.238 -99.200 -91.000 HIS 17 0.900 -41.563 26.227 -27.532 -99.200 -91.000 TRP 18 1.040 -38.108 24.186 -24.021 -99.200 -91.000 TRP6 18 1.020 -37.110 24.606 -26.127 -99.200 -91.000 TRP 34 1.040 -28.790 11.284 -16.365 -99.200 -91.000 TRP6 34 1.020 -27.224 11.360 -18.125 -99.200 -91.000 TRP 35 1.040 -31.931 11.708 -8.446 -99.200 -91.000 TRP6 35 1.020 -32.294 9.453 -7.795 -99.200 -91.000 TRP 45 1.040 -39.300 12.362 -15.047 -99.200 -91.000 TRP6 45 1.020 -37.858 11.681 -13.305 -99.200 -91.000 PHE 47 1.000 -36.963 19.690 -21.975 -99.200 -91.000 TRP 83 1.040 -36.921 20.971 -4.114 -99.200 -91.000 TRP6 83 1.020 -36.479 22.576 -5.775 -99.200 -91.000 TRP 84 1.040 -35.236 19.949 -9.994 -99.200 -91.000 TRP6 84 1.020 -33.980 18.994 -8.250 -99.200 -91.000 PHE 97 1.000 -41.657 27.691 -5.920 -99.200 -91.000 TYR 111 0.840 -39.114 32.349 12.369 -99.200 -91.000 TRP 155 1.040 -46.289 12.590 8.092 -99.200 -91.000 TRP6 155 1.020 -45.123 14.453 7.254 -99.200 -91.000 PHE 158 1.000 -45.429 13.834 -4.721 -99.200 -91.000 HIS 169 0.900 -52.957 21.371 -13.017 -99.200 -91.000 HIS 170 0.900 -57.747 21.320 -18.359 -99.200 -91.000 TYR 183 0.840 -36.649 30.278 -2.555 -99.200 -91.000 PHE 184 1.000 -39.887 31.315 6.202 -99.200 -91.000 HIS 197 0.900 -37.847 36.368 -5.873 -99.200 -91.000 TYR 199 0.840 -47.088 32.129 -10.386 -99.200 -91.000 TRP 212 1.040 -26.805 33.171 -16.083 -99.200 -91.000 TRP6 212 1.020 -24.872 33.061 -14.700 -99.200 -91.000 TRP 222 1.040 -24.388 18.266 -10.674 -99.200 -91.000 TRP6 222 1.020 -22.416 17.169 -9.983 -99.200 -91.000 TRP 229 1.040 -28.640 29.847 -2.066 -99.200 -91.000 TRP6 229 1.020 -26.424 29.424 -2.814 -99.200 -91.000 TRP 241 1.040 -35.699 21.804 -17.174 -99.200 -91.000 TRP6 241 1.020 -36.934 21.179 -15.274 -99.200 -91.000 PHE 248 1.000 -25.807 14.210 -13.561 -99.200 -91.000 HIS 250 0.900 -24.341 11.998 -7.110 -99.200 -91.000 PHE 255 1.000 -21.619 19.787 -0.929 -99.200 -91.000 TYR 267 0.840 -23.122 10.125 -14.512 -99.200 -91.000 TYR 279 0.840 -16.220 25.818 -9.321 -99.200 -91.000 TYR 290 0.840 -11.418 9.517 -10.473 -99.200 -91.000 PHE 292 1.000 -12.976 18.022 -14.541 -99.200 -91.000 HIS 294 0.900 -16.932 15.144 -19.807 -99.200 -91.000 TRP 313 1.040 -11.914 25.177 -12.332 -99.200 -91.000 TRP6 313 1.020 -12.492 23.230 -11.166 -99.200 -91.000 TYR 325 0.840 -23.591 40.794 -5.454 -99.200 -91.000 TYR 346 0.840 -12.298 44.159 -10.231 -99.200 -91.000 TYR 354 0.840 -31.817 42.909 -11.482 -99.200 -91.000 PHE 387 1.000 -37.839 41.226 -1.681 -99.200 -91.000 TYR 390 0.840 -37.131 41.410 3.317 -99.200 -91.000 PHE 405 1.000 -29.610 53.577 -7.228 -99.200 -91.000 TRP 406 1.040 -33.072 45.319 -2.595 -99.200 -91.000 TRP6 406 1.020 -34.675 45.217 -0.855 -99.200 -91.000 TYR 419 0.840 -15.632 43.037 -15.910 -99.200 -91.000 PHE 420 1.000 -21.454 46.721 -9.993 -99.200 -91.000 PHE 422 1.000 -18.580 40.738 -0.668 -99.200 -91.000 TYR 435 0.840 -25.912 25.939 3.655 -99.200 -91.000 HIS 449 0.900 -24.221 24.539 27.470 -99.200 -91.000 PHE 472 1.000 -15.197 37.449 19.540 -99.200 -91.000 PHE 479 1.000 -20.540 25.430 32.470 -99.200 -91.000 HIS 482 0.900 -16.901 22.706 32.558 -99.200 -91.000 HIS 494 0.900 -27.273 24.107 23.175 -99.200 -91.000 TYR 502 0.840 -27.923 26.749 7.456 -99.200 -91.000 TYR 504 0.840 -20.187 23.565 13.399 -99.200 -91.000 PHE 510 1.000 -15.076 29.232 25.879 -99.200 -91.000 TRP 532 1.040 -13.225 39.316 8.732 -99.200 -91.000 TRP6 532 1.020 -13.124 38.281 6.597 -99.200 -91.000