============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TYR 5 0.840 -23.756 10.529 9.349 -99.200 -91.000 PHE 11 1.000 -18.026 11.527 7.629 -99.200 -91.000 TRP 17 1.040 -10.604 7.201 8.298 -99.200 -91.000 TRP6 17 1.020 -10.124 9.377 9.098 -99.200 -91.000 TRP 30 1.040 -22.795 8.289 18.274 -99.200 -91.000 TRP6 30 1.020 -22.868 9.363 20.377 -99.200 -91.000 PHE 39 1.000 -19.931 25.196 12.919 -99.200 -91.000 TYR 42 0.840 -19.605 33.799 22.173 -99.200 -91.000 PHE 50 1.000 -25.272 30.930 21.987 -99.200 -91.000 PHE 66 1.000 -17.597 36.440 9.177 -99.200 -91.000 PHE 74 1.000 -14.438 28.628 12.372 -99.200 -91.000 HIS 77 0.900 -16.352 21.024 23.132 -99.200 -91.000 PHE 79 1.000 -14.268 11.795 26.443 -99.200 -91.000 TRP 87 1.040 -11.912 25.278 27.502 -99.200 -91.000 TRP6 87 1.020 -10.954 25.563 25.365 -99.200 -91.000 PHE 96 1.000 -15.035 39.302 21.266 -99.200 -91.000 TRP 108 1.040 -16.954 18.950 19.730 -99.200 -91.000 TRP6 108 1.020 -16.309 16.701 20.075 -99.200 -91.000 HIS 110 0.900 -26.244 17.383 23.710 -99.200 -91.000 TYR 116 0.840 -10.342 9.563 23.724 -99.200 -91.000 PHE 132 1.000 -21.426 22.681 3.632 -99.200 -91.000 TYR 143 0.840 -12.823 35.777 6.245 -99.200 -91.000 HIS 149 0.900 -5.564 30.745 15.265 -99.200 -91.000 HIS 153 0.900 -7.965 21.181 25.964 -99.200 -91.000 HIS 158 0.900 -5.207 14.832 17.369 -99.200 -91.000 PHE 184 1.000 -6.999 11.570 17.755 -99.200 -91.000 PHE 200 1.000 2.251 29.328 12.770 -99.200 -91.000 HIS 205 0.900 3.607 18.918 21.888 -99.200 -91.000 PHE 217 1.000 -7.018 12.209 27.209 -99.200 -91.000 HIS 225 0.900 3.921 24.392 9.351 -99.200 -91.000 PHE 228 1.000 5.942 27.802 20.800 -99.200 -91.000 PHE 229 1.000 7.587 19.250 23.095 -99.200 -91.000 PHE 244 1.000 -11.818 13.056 30.547 -99.200 -91.000 HIS 249 0.900 -5.620 17.289 28.063 -99.200 -91.000 PHE 253 1.000 -8.477 25.019 28.929 -99.200 -91.000 TYR 255 0.840 1.032 27.128 30.448 -99.200 -91.000 TYR 256 0.840 -4.070 30.779 21.770 -99.200 -91.000 PHE 266 1.000 2.326 32.517 28.731 -99.200 -91.000 TYR 269 0.840 14.157 31.914 25.930 -99.200 -91.000 TYR 274 0.840 12.368 21.758 31.141 -99.200 -91.000 PHE 277 1.000 14.491 26.966 28.765 -99.200 -91.000 PHE 283 1.000 19.250 33.474 28.660 -99.200 -91.000 HIS 295 0.900 -4.489 35.780 19.536 -99.200 -91.000 TYR 296 0.840 -0.591 38.772 20.429 -99.200 -91.000 PHE 300 1.000 10.200 31.932 14.998 -99.200 -91.000 PHE 311 1.000 10.810 27.416 18.640 -99.200 -91.000 PHE 312 1.000 12.215 21.495 25.069 -99.200 -91.000 PHE 321 1.000 -1.641 29.990 34.610 -99.200 -91.000 TRP 324 1.040 9.322 38.788 29.893 -99.200 -91.000 TRP6 324 1.020 7.097 38.867 30.685 -99.200 -91.000 TYR 326 0.840 14.869 39.053 33.273 -99.200 -91.000 TYR 341 0.840 19.407 29.268 52.195 -99.200 -91.000 TYR 347 0.840 14.897 46.790 43.797 -99.200 -91.000 TYR 356 0.840 13.027 35.897 40.952 -99.200 -91.000 PHE 359 1.000 26.743 28.025 44.986 -99.200 -91.000 HIS 369 0.900 28.773 30.535 43.609 -99.200 -91.000 PHE 377 1.000 7.978 42.550 37.684 -99.200 -91.000 PHE 387 1.000 25.036 39.396 47.752 -99.200 -91.000 TRP 389 1.040 25.442 37.634 53.601 -99.200 -91.000 TRP6 389 1.020 25.879 36.059 55.308 -99.200 -91.000 TYR 412 0.840 19.831 45.643 31.215 -99.200 -91.000 PHE 414 1.000 22.817 46.213 37.338 -99.200 -91.000 TYR 429 0.840 24.738 51.940 43.908 -99.200 -91.000