============================================================================= 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 8 1.000 10.450 12.456 39.462 -99.200 -91.000 PHE 37 1.000 12.082 17.489 26.415 -99.200 -91.000 PHE 39 1.000 15.614 13.460 31.239 -99.200 -91.000 TYR 48 0.840 15.696 13.779 25.531 -99.200 -91.000 PHE 64 1.000 25.425 20.792 16.936 -99.200 -91.000 PHE 74 1.000 25.849 1.526 31.960 -99.200 -91.000 PHE 78 1.000 25.923 -6.382 24.872 -99.200 -91.000 PHE 84 1.000 23.757 1.893 17.071 -99.200 -91.000 TRP 87 1.040 33.489 7.555 21.769 -99.200 -91.000 TRP6 87 1.020 31.938 9.219 22.477 -99.200 -91.000 HIS 89 0.900 36.905 10.315 19.289 -99.200 -91.000 TRP 93 1.040 32.552 4.983 12.431 -99.200 -91.000 TRP6 93 1.020 32.856 6.578 10.720 -99.200 -91.000 HIS 97 0.900 31.719 4.688 6.544 -99.200 -91.000 PHE 104 1.000 26.066 -3.788 5.877 -99.200 -91.000 TYR 112 0.840 24.308 -9.125 1.514 -99.200 -91.000 HIS 113 0.900 15.943 -11.104 -4.247 -99.200 -91.000 TRP 127 1.040 2.722 -16.419 8.945 -99.200 -91.000 TRP6 127 1.020 2.742 -14.117 8.358 -99.200 -91.000 HIS 135 0.900 -3.409 -16.408 17.813 -99.200 -91.000 PHE 155 1.000 26.985 -12.248 10.283 -99.200 -91.000 TYR 157 0.840 24.796 -20.204 13.593 -99.200 -91.000 PHE 159 1.000 21.365 -16.677 14.761 -99.200 -91.000 PHE 162 1.000 10.171 -18.394 10.162 -99.200 -91.000 TYR 163 0.840 13.387 -25.872 10.728 -99.200 -91.000 HIS 168 0.900 21.368 -20.249 18.448 -99.200 -91.000 PHE 170 1.000 24.437 -14.400 19.397 -99.200 -91.000 TYR 195 0.840 21.796 -3.347 41.855 -99.200 -91.000 PHE 202 1.000 26.585 -7.040 30.725 -99.200 -91.000 HIS 233 0.900 31.915 -9.196 0.780 -99.200 -91.000 TYR 253 0.840 34.445 -6.023 20.356 -99.200 -91.000 PHE 258 1.000 27.504 -5.792 10.620 -99.200 -91.000 HIS 263 0.900 16.028 -10.051 18.514 -99.200 -91.000 PHE 272 1.000 5.527 -0.030 15.629 -99.200 -91.000 TYR 275 0.840 -1.441 -0.664 14.626 -99.200 -91.000 PHE 276 1.000 0.842 2.841 11.666 -99.200 -91.000 HIS 282 0.900 -11.021 2.153 1.514 -99.200 -91.000 TYR 302 0.840 18.266 -5.922 -6.770 -99.200 -91.000 TYR 310 0.840 0.463 2.418 -1.805 -99.200 -91.000 TRP 322 1.040 4.125 4.411 16.234 -99.200 -91.000 TRP6 322 1.020 4.663 5.680 18.152 -99.200 -91.000 PHE 328 1.000 19.879 11.043 15.024 -99.200 -91.000 TYR 331 0.840 31.006 15.038 20.096 -99.200 -91.000 TYR 342 0.840 16.751 27.480 22.352 -99.200 -91.000 HIS 358 0.900 10.514 10.485 11.292 -99.200 -91.000 TRP 364 1.040 6.466 15.281 8.479 -99.200 -91.000 TRP6 364 1.020 7.108 13.867 6.674 -99.200 -91.000 PHE 371 1.000 0.585 3.461 7.129 -99.200 -91.000 PHE 376 1.000 7.482 9.062 3.588 -99.200 -91.000 HIS 385 0.900 19.831 17.039 7.653 -99.200 -91.000 PHE 387 1.000 11.302 9.040 6.365 -99.200 -91.000 PHE 390 1.000 16.503 3.245 7.543 -99.200 -91.000 PHE 402 1.000 20.646 -7.615 5.229 -99.200 -91.000 HIS 405 0.900 16.231 -6.402 -1.941 -99.200 -91.000 HIS 417 0.900 2.521 -16.416 -1.851 -99.200 -91.000 PHE 418 1.000 -0.129 -16.244 3.789 -99.200 -91.000 PHE 420 1.000 -1.662 -10.639 5.989 -99.200 -91.000 HIS 423 0.900 -7.222 -12.703 15.434 -99.200 -91.000 TYR 426 0.840 -2.229 -4.781 18.809 -99.200 -91.000 PHE 441 1.000 -0.440 -6.422 14.236 -99.200 -91.000