============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 7 1.000 16.265 15.134 7.967 -99.200 -91.000 PHE 9 1.000 19.492 17.630 10.437 -99.200 -91.000 TYR 15 0.840 13.789 23.888 8.305 -99.200 -91.000 PHE 24 1.000 18.025 21.176 13.535 -99.200 -91.000 TRP 34 1.040 25.571 13.163 9.948 -99.200 -91.000 TRP6 34 1.020 23.773 13.851 8.509 -99.200 -91.000 TRP 35 1.040 29.482 15.537 3.910 -99.200 -91.000 TRP6 35 1.020 30.438 17.657 3.511 -99.200 -91.000 PHE 46 1.000 25.442 27.826 -1.293 -99.200 -91.000 HIS 47 0.900 25.241 23.848 -8.059 -99.200 -91.000 PHE 51 1.000 24.412 21.356 5.235 -99.200 -91.000 TRP 52 1.040 32.273 19.450 7.661 -99.200 -91.000 TRP6 52 1.020 32.478 17.170 8.308 -99.200 -91.000 HIS 66 0.900 38.485 30.561 16.807 -99.200 -91.000 PHE 70 1.000 35.345 27.669 10.919 -99.200 -91.000 TYR 73 0.840 34.009 38.158 -0.755 -99.200 -91.000 PHE 81 1.000 20.903 31.924 -1.727 -99.200 -91.000 PHE 95 1.000 28.861 44.083 -4.683 -99.200 -91.000 HIS 104 0.900 37.285 44.783 1.317 -99.200 -91.000 HIS 105 0.900 31.726 42.870 9.384 -99.200 -91.000 PHE 116 1.000 21.461 49.564 13.773 -99.200 -91.000 HIS 125 0.900 10.248 53.358 25.493 -99.200 -91.000 PHE 147 1.000 -0.172 37.833 17.380 -99.200 -91.000 PHE 175 1.000 6.474 50.408 6.720 -99.200 -91.000 HIS 176 0.900 4.817 46.278 -2.810 -99.200 -91.000 TRP 177 1.040 10.171 48.910 -3.400 -99.200 -91.000 TRP6 177 1.020 10.567 51.234 -3.103 -99.200 -91.000 TYR 189 0.840 4.522 35.004 0.716 -99.200 -91.000 HIS 191 0.900 2.822 37.245 -5.983 -99.200 -91.000 TYR 204 0.840 12.748 55.996 -0.422 -99.200 -91.000 PHE 230 1.000 21.143 55.624 3.542 -99.200 -91.000 PHE 232 1.000 25.378 48.379 -2.776 -99.200 -91.000 PHE 233 1.000 22.297 50.975 7.468 -99.200 -91.000 PHE 256 1.000 4.211 35.085 26.540 -99.200 -91.000 HIS 259 0.900 4.952 26.504 26.700 -99.200 -91.000 TRP 263 1.040 -1.191 35.707 27.918 -99.200 -91.000 TRP6 263 1.020 0.096 37.515 27.064 -99.200 -91.000 TYR 266 0.840 4.988 39.812 29.026 -99.200 -91.000 TRP 281 1.040 9.159 28.533 22.196 -99.200 -91.000 TRP6 281 1.020 9.623 26.687 23.672 -99.200 -91.000 PHE 288 1.000 22.077 34.296 8.853 -99.200 -91.000 TYR 296 0.840 39.043 25.893 13.861 -99.200 -91.000 PHE 312 1.000 21.502 23.147 10.371 -99.200 -91.000 TYR 313 0.840 22.646 31.105 14.097 -99.200 -91.000 PHE 318 1.000 14.619 25.056 21.616 -99.200 -91.000 PHE 323 1.000 20.214 27.419 26.107 -99.200 -91.000 PHE 327 1.000 13.608 20.270 23.146 -99.200 -91.000 PHE 329 1.000 7.801 31.068 26.237 -99.200 -91.000 HIS 338 0.900 19.181 34.356 22.803 -99.200 -91.000 PHE 341 1.000 18.728 39.190 19.276 -99.200 -91.000 HIS 347 0.900 30.084 39.238 9.740 -99.200 -91.000 TYR 348 0.840 25.270 39.864 19.454 -99.200 -91.000 PHE 363 1.000 5.095 39.015 22.633 -99.200 -91.000 HIS 369 0.900 -4.628 48.455 24.195 -99.200 -91.000 TRP 386 1.040 17.376 31.485 4.410 -99.200 -91.000 TRP6 386 1.020 17.452 33.594 5.515 -99.200 -91.000 HIS 392 0.900 -1.228 34.479 5.800 -99.200 -91.000 TRP 393 1.040 -1.637 31.266 15.337 -99.200 -91.000 TRP6 393 1.020 -0.913 32.269 17.360 -99.200 -91.000 TYR 397 0.840 -6.556 39.868 17.172 -99.200 -91.000