============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 3 1.000 69.758 -42.122 9.057 -99.200 -91.000 PHE 14 1.000 54.643 -37.816 -9.415 -99.200 -91.000 TYR 32 0.840 45.725 -64.261 -4.991 -99.200 -91.000 TRP 36 1.040 49.843 -51.985 -6.554 -99.200 -91.000 TRP6 36 1.020 49.240 -53.492 -4.798 -99.200 -91.000 PHE 43 1.000 54.059 -48.309 -6.257 -99.200 -91.000 PHE 64 1.000 59.897 -63.465 2.056 -99.200 -91.000 TYR 65 0.840 68.275 -64.217 2.777 -99.200 -91.000 PHE 73 1.000 46.858 -53.128 8.031 -99.200 -91.000 TYR 80 0.840 50.113 -70.225 15.355 -99.200 -91.000 PHE 81 1.000 54.837 -62.573 12.990 -99.200 -91.000 PHE 85 1.000 64.902 -60.545 14.694 -99.200 -91.000 TYR 92 0.840 57.657 -70.044 21.596 -99.200 -91.000 HIS 104 0.900 59.524 -73.727 17.424 -99.200 -91.000 HIS 108 0.900 56.866 -63.157 17.063 -99.200 -91.000 PHE 110 1.000 49.130 -63.770 10.567 -99.200 -91.000 PHE 124 1.000 56.929 -62.747 7.499 -99.200 -91.000 TRP 125 1.040 58.456 -69.391 9.688 -99.200 -91.000 TRP6 125 1.020 56.461 -70.086 10.770 -99.200 -91.000 TYR 127 0.840 49.741 -73.120 9.028 -99.200 -91.000 HIS 130 0.900 42.145 -69.477 13.147 -99.200 -91.000 PHE 152 1.000 65.659 -58.120 -8.435 -99.200 -91.000 PHE 156 1.000 69.111 -62.440 -1.670 -99.200 -91.000 HIS 162 0.900 59.148 -69.437 -5.525 -99.200 -91.000 PHE 166 1.000 58.151 -56.682 -5.997 -99.200 -91.000 TYR 169 0.840 56.950 -55.845 -11.947 -99.200 -91.000 PHE 175 1.000 69.551 -74.113 2.234 -99.200 -91.000 PHE 178 1.000 75.743 -72.502 -1.291 -99.200 -91.000 PHE 182 1.000 81.535 -76.311 -1.315 -99.200 -91.000 PHE 187 1.000 71.773 -77.960 5.608 -99.200 -91.000 TYR 246 0.840 36.463 -41.921 18.301 -99.200 -91.000 TRP 266 1.040 68.234 -49.646 14.908 -99.200 -91.000 TRP6 266 1.020 67.158 -49.801 17.013 -99.200 -91.000 TYR 273 0.840 42.575 -49.079 10.172 -99.200 -91.000 TYR 277 0.840 33.615 -42.615 11.628 -99.200 -91.000 PHE 282 1.000 43.923 -36.820 7.514 -99.200 -91.000 HIS 285 0.900 46.711 -34.849 5.504 -99.200 -91.000 TYR 286 0.840 53.408 -29.537 4.998 -99.200 -91.000 HIS 291 0.900 58.557 -39.946 -1.089 -99.200 -91.000 TYR 295 0.840 45.687 -52.209 -0.422 -99.200 -91.000 HIS 302 0.900 36.607 -35.506 -4.843 -99.200 -91.000 TYR 314 0.840 44.258 -39.555 -7.125 -99.200 -91.000 HIS 322 0.900 41.695 -49.276 -7.754 -99.200 -91.000 PHE 330 1.000 54.142 -33.656 -4.795 -99.200 -91.000 PHE 341 1.000 39.249 -44.105 1.980 -99.200 -91.000 TYR 343 0.840 43.734 -43.520 5.524 -99.200 -91.000 PHE 346 1.000 52.069 -50.403 3.908 -99.200 -91.000 TYR 376 0.840 46.326 -16.825 2.903 -99.200 -91.000 PHE 392 1.000 34.927 -30.033 15.016 -99.200 -91.000 PHE 394 1.000 45.850 -34.697 13.201 -99.200 -91.000 PHE 395 1.000 40.553 -37.870 11.206 -99.200 -91.000