============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 8 0.840 -69.016 -10.989 87.954 -99.200 -91.000 PHE 11 1.000 -72.536 -11.529 83.895 -99.200 -91.000 PHE 21 1.000 -73.342 8.556 84.995 -99.200 -91.000 PHE 24 1.000 -79.189 7.154 91.447 -99.200 -91.000 TYR 35 0.840 -74.873 -2.710 97.886 -99.200 -91.000 PHE 37 1.000 -75.271 0.600 87.018 -99.200 -91.000 TRP 72 1.040 -51.742 -2.166 92.696 -99.200 -91.000 TRP6 72 1.020 -50.608 -0.352 91.660 -99.200 -91.000 TYR 73 0.840 -57.465 -2.533 86.519 -99.200 -91.000 PHE 77 1.000 -63.716 -9.953 89.583 -99.200 -91.000 TYR 83 0.840 -69.322 -4.844 99.981 -99.200 -91.000 PHE 97 1.000 -70.632 -0.767 96.898 -99.200 -91.000 HIS 108 0.900 -58.239 0.423 90.522 -99.200 -91.000 TYR 122 0.840 -42.971 -4.688 74.831 -99.200 -91.000 PHE 126 1.000 -38.320 -7.458 76.378 -99.200 -91.000 PHE 128 1.000 -43.655 -1.172 70.267 -99.200 -91.000 PHE 131 1.000 -49.145 -8.750 65.955 -99.200 -91.000 TYR 138 0.840 -58.422 -2.977 70.104 -99.200 -91.000 PHE 139 1.000 -53.967 -3.056 77.674 -99.200 -91.000 PHE 143 1.000 -55.242 -0.153 82.002 -99.200 -91.000 TYR 144 0.840 -53.916 4.642 79.714 -99.200 -91.000 PHE 150 1.000 -62.369 0.534 85.847 -99.200 -91.000 HIS 157 0.900 -72.554 4.662 96.009 -99.200 -91.000 PHE 161 1.000 -76.125 7.786 96.913 -99.200 -91.000 HIS 169 0.900 -66.970 23.248 91.940 -99.200 -91.000 HIS 172 0.900 -70.653 21.415 89.553 -99.200 -91.000 TYR 190 0.840 -54.912 30.965 76.353 -99.200 -91.000 TYR 200 0.840 -38.474 25.744 78.940 -99.200 -91.000 TYR 201 0.840 -41.564 27.277 75.559 -99.200 -91.000 PHE 212 1.000 -74.047 31.902 65.029 -99.200 -91.000 TYR 225 0.840 -68.740 16.822 78.754 -99.200 -91.000 HIS 229 0.900 -64.716 13.336 82.355 -99.200 -91.000 PHE 231 1.000 -58.551 22.860 83.763 -99.200 -91.000 HIS 232 0.900 -56.726 15.556 81.062 -99.200 -91.000 PHE 235 1.000 -53.058 21.845 81.585 -99.200 -91.000 PHE 238 1.000 -56.928 26.818 75.097 -99.200 -91.000 TYR 249 0.840 -44.933 33.411 64.938 -99.200 -91.000 TYR 256 0.840 -43.851 35.277 70.716 -99.200 -91.000 PHE 290 1.000 -55.157 12.400 67.633 -99.200 -91.000 TYR 292 0.840 -52.308 6.001 74.522 -99.200 -91.000 TYR 294 0.840 -44.885 11.705 66.858 -99.200 -91.000 PHE 304 1.000 -44.496 12.587 81.495 -99.200 -91.000 TYR 306 0.840 -49.545 8.186 78.234 -99.200 -91.000 TYR 314 0.840 -60.587 12.561 80.393 -99.200 -91.000 TYR 317 0.840 -66.727 8.096 79.904 -99.200 -91.000 PHE 318 1.000 -70.065 10.970 79.724 -99.200 -91.000 TYR 325 0.840 -59.925 17.961 60.405 -99.200 -91.000 TYR 337 0.840 -66.280 18.089 65.842 -99.200 -91.000 PHE 346 1.000 -77.368 6.817 75.088 -99.200 -91.000 PHE 352 1.000 -62.435 -10.987 76.128 -99.200 -91.000 TRP 357 1.040 -58.978 -14.319 71.343 -99.200 -91.000 TRP6 357 1.020 -58.804 -15.344 69.195 -99.200 -91.000 HIS 359 0.900 -59.214 -4.787 66.705 -99.200 -91.000 TYR 360 0.840 -55.937 -7.164 72.838 -99.200 -91.000 TRP 369 1.040 -56.296 0.753 49.078 -99.200 -91.000 TRP6 369 1.020 -57.250 1.817 47.181 -99.200 -91.000