============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 4 1.000 15.474 -0.944 27.251 -99.200 -91.000 PHE 6 1.000 21.813 -2.389 23.670 -99.200 -91.000 PHE 32 1.000 16.309 7.260 10.264 -99.200 -91.000 TYR 62 0.840 5.828 22.356 20.237 -99.200 -91.000 HIS 63 0.900 0.997 18.685 15.113 -99.200 -91.000 HIS 80 0.900 2.061 2.158 20.738 -99.200 -91.000 PHE 82 1.000 -5.574 9.767 16.890 -99.200 -91.000 TRP 85 1.040 4.582 1.715 15.016 -99.200 -91.000 TRP6 85 1.020 5.747 1.067 13.085 -99.200 -91.000 TYR 96 0.840 15.516 20.112 18.869 -99.200 -91.000 PHE 110 1.000 4.623 25.045 25.059 -99.200 -91.000 HIS 111 0.900 -0.952 28.527 25.765 -99.200 -91.000 HIS 123 0.900 0.532 6.641 31.492 -99.200 -91.000 PHE 133 1.000 10.775 19.579 29.945 -99.200 -91.000 TYR 139 0.840 28.281 25.199 18.242 -99.200 -91.000 TRP 156 1.040 14.172 20.780 34.781 -99.200 -91.000 TRP6 156 1.020 13.883 22.044 32.815 -99.200 -91.000 PHE 164 1.000 9.283 5.334 33.009 -99.200 -91.000 PHE 177 1.000 16.589 4.885 25.696 -99.200 -91.000 PHE 185 1.000 32.179 24.256 26.483 -99.200 -91.000 PHE 201 1.000 17.585 8.584 33.568 -99.200 -91.000 TYR 204 0.840 22.345 5.960 30.687 -99.200 -91.000 PHE 219 1.000 31.453 12.150 12.568 -99.200 -91.000 PHE 224 1.000 34.719 15.361 24.375 -99.200 -91.000 HIS 235 0.900 26.177 3.848 24.369 -99.200 -91.000 TYR 236 0.840 17.369 9.026 20.515 -99.200 -91.000 PHE 257 1.000 22.705 6.818 14.449 -99.200 -91.000 PHE 267 1.000 19.215 11.243 1.974 -99.200 -91.000 TRP 269 1.040 23.063 2.052 -1.787 -99.200 -91.000 TRP6 269 1.020 23.559 2.115 0.514 -99.200 -91.000 PHE 280 1.000 18.341 13.269 -11.667 -99.200 -91.000 HIS 292 0.900 17.883 -5.062 -2.605 -99.200 -91.000 TRP 299 1.040 5.595 4.144 -10.085 -99.200 -91.000 TRP6 299 1.020 5.149 3.091 -8.017 -99.200 -91.000 TYR 303 0.840 4.739 8.507 -12.129 -99.200 -91.000 HIS 305 0.900 12.055 16.285 -13.483 -99.200 -91.000 HIS 306 0.900 4.177 14.632 -14.248 -99.200 -91.000 HIS 322 0.900 15.044 5.787 -2.710 -99.200 -91.000 PHE 326 1.000 20.508 5.171 0.596 -99.200 -91.000 TYR 327 0.840 18.389 8.216 6.240 -99.200 -91.000 PHE 343 1.000 30.585 0.456 11.174 -99.200 -91.000 PHE 346 1.000 28.463 -0.166 4.959 -99.200 -91.000 PHE 350 1.000 27.770 5.691 3.157 -99.200 -91.000 TYR 354 0.840 26.013 9.504 0.574 -99.200 -91.000 PHE 355 1.000 30.735 11.790 1.537 -99.200 -91.000