============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 2 0.840 5.846 42.291 19.318 -99.200 -91.000 PHE 10 1.000 13.036 36.742 27.198 -99.200 -91.000 PHE 12 1.000 10.121 31.171 31.792 -99.200 -91.000 TRP 15 1.040 10.715 28.913 42.153 -99.200 -91.000 TRP6 15 1.020 12.968 29.118 41.551 -99.200 -91.000 TRP 19 1.040 2.555 27.426 43.582 -99.200 -91.000 TRP6 19 1.020 0.568 28.629 43.155 -99.200 -91.000 PHE 25 1.000 -6.682 31.888 54.028 -99.200 -91.000 HIS 48 0.900 20.704 31.173 27.628 -99.200 -91.000 PHE 52 1.000 19.802 23.328 40.717 -99.200 -91.000 HIS 53 0.900 14.179 27.299 45.430 -99.200 -91.000 PHE 60 1.000 14.988 17.513 54.171 -99.200 -91.000 HIS 70 0.900 15.580 12.161 41.993 -99.200 -91.000 PHE 74 1.000 18.114 19.932 35.641 -99.200 -91.000 PHE 93 1.000 11.975 28.457 50.466 -99.200 -91.000 HIS 95 0.900 12.376 19.431 57.671 -99.200 -91.000 PHE 98 1.000 16.369 24.736 56.990 -99.200 -91.000 PHE 103 1.000 22.845 31.071 55.351 -99.200 -91.000 TYR 113 0.840 20.210 20.268 58.072 -99.200 -91.000 TYR 133 0.840 24.040 28.529 45.800 -99.200 -91.000 TRP 136 1.040 13.342 35.061 49.854 -99.200 -91.000 TRP6 136 1.020 11.713 33.401 50.294 -99.200 -91.000 PHE 161 1.000 24.767 35.650 52.840 -99.200 -91.000 TYR 167 0.840 32.973 24.863 49.915 -99.200 -91.000 TYR 173 0.840 33.651 25.078 43.808 -99.200 -91.000 PHE 177 1.000 28.327 32.800 47.665 -99.200 -91.000 HIS 197 0.900 16.539 48.195 54.744 -99.200 -91.000 PHE 201 1.000 24.733 41.106 55.563 -99.200 -91.000 TYR 211 0.840 29.648 37.717 49.747 -99.200 -91.000 HIS 219 0.900 10.164 39.057 46.736 -99.200 -91.000 PHE 227 1.000 12.457 45.682 40.494 -99.200 -91.000 HIS 229 0.900 13.024 56.302 40.883 -99.200 -91.000 TRP 236 1.040 25.800 55.721 41.268 -99.200 -91.000 TRP6 236 1.020 26.200 55.876 43.600 -99.200 -91.000 PHE 241 1.000 27.474 40.495 41.719 -99.200 -91.000 HIS 242 0.900 19.401 35.680 38.436 -99.200 -91.000 TYR 253 0.840 -2.007 37.634 47.529 -99.200 -91.000 PHE 259 1.000 8.517 42.108 32.820 -99.200 -91.000 PHE 268 1.000 8.219 52.628 28.179 -99.200 -91.000 TRP 269 1.040 8.710 54.699 33.087 -99.200 -91.000 TRP6 269 1.020 9.699 56.093 31.429 -99.200 -91.000 TYR 279 0.840 20.834 42.057 33.826 -99.200 -91.000 HIS 284 0.900 14.996 33.284 37.655 -99.200 -91.000 PHE 285 1.000 10.454 36.233 32.254 -99.200 -91.000 PHE 287 1.000 5.315 32.341 35.416 -99.200 -91.000 PHE 295 1.000 0.296 20.519 34.481 -99.200 -91.000 TRP 299 1.040 3.089 23.987 29.466 -99.200 -91.000 TRP6 299 1.020 5.144 24.085 30.638 -99.200 -91.000 TYR 309 0.840 12.979 42.033 28.768 -99.200 -91.000 PHE 319 1.000 10.597 57.748 25.922 -99.200 -91.000 PHE 356 1.000 23.999 82.392 48.928 -99.200 -91.000 PHE 359 1.000 20.375 80.754 40.909 -99.200 -91.000 PHE 371 1.000 10.775 67.050 35.050 -99.200 -91.000 HIS 381 0.900 7.580 56.600 20.841 -99.200 -91.000