============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 5 1.000 -23.738 -13.464 -18.521 -99.200 -91.000 PHE 8 1.000 -19.064 -16.414 -21.328 -99.200 -91.000 TYR 16 0.840 -15.723 -24.219 -31.024 -99.200 -91.000 TYR 19 0.840 -10.108 -24.960 -29.507 -99.200 -91.000 PHE 22 1.000 -4.946 -20.627 -29.952 -99.200 -91.000 PHE 31 1.000 -8.006 -21.310 -21.216 -99.200 -91.000 TYR 42 0.840 -0.681 -7.719 -14.722 -99.200 -91.000 HIS 49 0.900 -11.413 -17.311 -15.001 -99.200 -91.000 TRP 51 1.040 -10.739 -11.031 -24.616 -99.200 -91.000 TRP6 51 1.020 -11.024 -13.010 -25.881 -99.200 -91.000 TYR 55 0.840 -17.161 -8.677 -12.443 -99.200 -91.000 PHE 57 1.000 -16.994 -15.718 -12.165 -99.200 -91.000 HIS 80 0.900 -22.281 -14.221 -9.143 -99.200 -91.000 PHE 88 1.000 -22.454 -19.406 -25.509 -99.200 -91.000 TRP 100 1.040 -20.673 -29.998 -16.279 -99.200 -91.000 TRP6 100 1.020 -19.052 -31.645 -16.783 -99.200 -91.000 PHE 114 1.000 -11.733 -30.874 -10.254 -99.200 -91.000 TYR 136 0.840 -4.038 -19.419 -11.473 -99.200 -91.000 PHE 140 1.000 -10.997 -25.763 -8.773 -99.200 -91.000 TRP 144 1.040 -6.653 -29.462 -12.293 -99.200 -91.000 TRP6 144 1.020 -8.194 -30.649 -13.648 -99.200 -91.000 TRP 148 1.040 -3.916 -31.808 -16.208 -99.200 -91.000 TRP6 148 1.020 -5.344 -32.426 -18.002 -99.200 -91.000 PHE 157 1.000 -5.674 -36.281 -21.545 -99.200 -91.000 TRP 170 1.040 -5.390 -11.804 -24.851 -99.200 -91.000 TRP6 170 1.020 -5.863 -13.726 -23.531 -99.200 -91.000 PHE 180 1.000 -14.143 -0.779 -20.223 -99.200 -91.000 PHE 191 1.000 -3.410 7.823 -8.688 -99.200 -91.000 PHE 227 1.000 -5.269 11.920 -6.523 -99.200 -91.000 TYR 243 0.840 -19.563 -1.209 -20.637 -99.200 -91.000 PHE 245 1.000 -14.153 6.311 -12.654 -99.200 -91.000 PHE 247 1.000 -14.789 6.780 -6.833 -99.200 -91.000 TRP 252 1.040 -1.423 2.027 -7.610 -99.200 -91.000 TRP6 252 1.020 -0.626 3.808 -8.943 -99.200 -91.000 TYR 254 0.840 4.342 0.061 -13.252 -99.200 -91.000 PHE 264 1.000 19.371 8.093 -12.590 -99.200 -91.000 TYR 278 0.840 21.874 13.587 -5.758 -99.200 -91.000 TYR 291 0.840 -12.346 2.007 -14.901 -99.200 -91.000 TYR 294 0.840 -9.473 -4.068 -21.123 -99.200 -91.000 PHE 302 1.000 8.635 14.483 -13.487 -99.200 -91.000 TYR 314 0.840 12.855 15.722 -21.688 -99.200 -91.000 PHE 316 1.000 18.119 11.366 -30.332 -99.200 -91.000 TYR 339 0.840 15.817 -2.251 -30.369 -99.200 -91.000 TYR 345 0.840 15.252 9.547 -36.099 -99.200 -91.000 PHE 357 1.000 16.836 3.227 -27.823 -99.200 -91.000 PHE 369 1.000 3.416 -3.070 -17.105 -99.200 -91.000 PHE 374 1.000 3.005 -7.324 -30.796 -99.200 -91.000 TYR 382 0.840 7.395 -14.532 -31.882 -99.200 -91.000 PHE 391 1.000 2.058 -2.002 -30.282 -99.200 -91.000 PHE 395 1.000 11.858 6.242 -26.597 -99.200 -91.000 PHE 397 1.000 19.019 7.267 -25.939 -99.200 -91.000 TYR 409 0.840 22.757 12.639 -18.385 -99.200 -91.000 PHE 429 1.000 2.007 10.127 -28.280 -99.200 -91.000 TYR 433 0.840 2.402 15.393 -16.039 -99.200 -91.000 PHE 442 1.000