============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 2 0.840 62.799 61.223 65.351 -99.200 -91.000 TYR 4 0.840 59.641 55.060 56.966 -99.200 -91.000 PHE 8 1.000 59.808 46.701 52.878 -99.200 -91.000 PHE 10 1.000 58.067 39.757 54.686 -99.200 -91.000 PHE 11 1.000 54.753 32.520 47.214 -99.200 -91.000 TYR 15 0.840 54.919 20.815 45.577 -99.200 -91.000 TRP 29 1.040 54.159 26.973 45.552 -99.200 -91.000 TRP6 29 1.020 56.144 25.941 46.275 -99.200 -91.000 TYR 40 0.840 59.049 34.726 45.645 -99.200 -91.000 PHE 44 1.000 60.620 22.909 48.085 -99.200 -91.000 PHE 54 1.000 65.823 7.851 59.490 -99.200 -91.000 PHE 55 1.000 70.397 5.781 59.183 -99.200 -91.000 PHE 56 1.000 70.385 12.716 60.762 -99.200 -91.000 HIS 57 0.900 75.703 9.843 54.376 -99.200 -91.000 TRP 65 1.040 62.618 19.266 44.870 -99.200 -91.000 TRP6 65 1.020 60.558 19.838 43.878 -99.200 -91.000 PHE 66 1.000 69.139 27.742 45.742 -99.200 -91.000 HIS 74 0.900 56.609 38.841 39.155 -99.200 -91.000 TYR 79 0.840 62.445 37.972 43.834 -99.200 -91.000 TYR 95 0.840 65.217 32.116 46.638 -99.200 -91.000 HIS 100 0.900 63.204 45.582 49.121 -99.200 -91.000 TYR 103 0.840 68.436 49.080 53.405 -99.200 -91.000 PHE 130 1.000 64.181 37.390 57.580 -99.200 -91.000 PHE 132 1.000 63.284 43.765 54.585 -99.200 -91.000 HIS 133 0.900 64.667 48.405 55.805 -99.200 -91.000 HIS 143 0.900 56.162 15.855 56.958 -99.200 -91.000 HIS 147 0.900 49.852 7.267 59.606 -99.200 -91.000 TYR 151 0.840 43.802 13.599 68.901 -99.200 -91.000 TYR 158 0.840 53.128 24.901 68.181 -99.200 -91.000 PHE 167 1.000 65.984 30.752 65.571 -99.200 -91.000 HIS 182 0.900 62.554 35.635 66.213 -99.200 -91.000 TRP 187 1.040 54.798 26.405 62.312 -99.200 -91.000 TRP6 187 1.020 55.866 26.290 64.411 -99.200 -91.000 TYR 193 0.840 47.398 19.264 63.898 -99.200 -91.000 PHE 212 1.000 36.188 23.934 49.606 -99.200 -91.000 TYR 216 0.840 38.474 25.755 59.705 -99.200 -91.000 TYR 218 0.840 32.258 17.468 61.451 -99.200 -91.000 PHE 231 1.000 50.664 25.927 64.650 -99.200 -91.000 PHE 234 1.000 52.063 31.160 65.598 -99.200 -91.000 PHE 241 1.000 43.894 26.110 50.468 -99.200 -91.000 TYR 245 0.840 47.139 12.935 52.822 -99.200 -91.000 TYR 247 0.840 44.728 16.110 45.194 -99.200 -91.000 TRP 254 1.040 39.321 13.194 46.213 -99.200 -91.000 TRP6 254 1.020 40.575 14.934 47.196 -99.200 -91.000 TRP 265 1.040 41.566 22.212 53.592 -99.200 -91.000 TRP6 265 1.020 39.394 22.111 54.526 -99.200 -91.000 TRP 271 1.040 48.968 36.484 60.439 -99.200 -91.000 TRP6 271 1.020 47.174 35.658 59.160 -99.200 -91.000 TYR 281 0.840 45.785 29.541 53.823 -99.200 -91.000 HIS 284 0.900 49.509 28.042 43.836 -99.200 -91.000 HIS 292 0.900 50.893 16.167 51.119 -99.200 -91.000 PHE 299 1.000 50.930 35.968 55.394 -99.200 -91.000 HIS 308 0.900 67.448 57.132 53.495 -99.200 -91.000 HIS 309 0.900 69.607 64.156 60.657 -99.200 -91.000 HIS 310 0.900 67.948 63.310 53.321 -99.200 -91.000