============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 3 0.900 54.915 -6.010 38.239 -99.200 -91.000 PHE 11 1.000 51.704 -10.211 18.381 -99.200 -91.000 TYR 15 0.840 47.193 -9.519 23.125 -99.200 -91.000 HIS 17 0.900 54.097 -2.093 27.488 -99.200 -91.000 PHE 31 1.000 50.942 15.406 27.742 -99.200 -91.000 TRP 62 1.040 67.844 -2.300 16.359 -99.200 -91.000 TRP6 62 1.020 67.469 -0.110 15.542 -99.200 -91.000 TYR 65 0.840 65.043 -4.237 20.905 -99.200 -91.000 TYR 66 0.840 57.635 -3.019 13.082 -99.200 -91.000 PHE 92 1.000 55.815 12.207 15.256 -99.200 -91.000 TYR 94 0.840 66.195 17.660 15.675 -99.200 -91.000 TYR 107 0.840 78.159 4.010 39.879 -99.200 -91.000 TRP 120 1.040 62.049 11.357 32.715 -99.200 -91.000 TRP6 120 1.020 59.738 11.192 32.236 -99.200 -91.000 PHE 122 1.000 57.216 15.116 29.092 -99.200 -91.000 PHE 123 1.000 54.644 19.328 29.258 -99.200 -91.000 PHE 145 1.000 61.077 -1.372 30.915 -99.200 -91.000 PHE 157 1.000 66.898 -3.516 39.690 -99.200 -91.000 TYR 166 0.840 66.479 9.625 27.817 -99.200 -91.000 HIS 170 0.900 67.512 19.385 25.350 -99.200 -91.000 HIS 182 0.900 63.077 6.782 25.443 -99.200 -91.000 TYR 198 0.840 81.520 2.404 24.791 -99.200 -91.000 PHE 212 1.000 74.551 10.922 30.809 -99.200 -91.000 HIS 219 0.900 84.488 -3.811 38.082 -99.200 -91.000 PHE 222 1.000 78.603 3.002 29.457 -99.200 -91.000 PHE 226 1.000 72.793 9.184 22.844 -99.200 -91.000 HIS 244 0.900 74.649 14.464 31.546 -99.200 -91.000 HIS 247 0.900 75.170 21.346 32.076 -99.200 -91.000 HIS 252 0.900 79.747 15.972 23.101 -99.200 -91.000 TRP 266 1.040 76.041 25.105 32.879 -99.200 -91.000 TRP6 266 1.020 74.601 25.046 31.003 -99.200 -91.000 HIS 269 0.900 77.633 18.719 36.958 -99.200 -91.000 PHE 274 1.000 77.277 22.030 49.303 -99.200 -91.000 PHE 279 1.000 76.156 10.222 49.899 -99.200 -91.000 PHE 286 1.000 72.339 7.957 45.894 -99.200 -91.000 TRP 290 1.040 68.323 10.876 44.635 -99.200 -91.000 TRP6 290 1.020 69.282 11.532 42.572 -99.200 -91.000 TYR 296 0.840 59.340 25.232 44.755 -99.200 -91.000 PHE 298 1.000 63.199 27.981 37.406 -99.200 -91.000 TYR 304 0.840 52.281 24.251 36.784 -99.200 -91.000 PHE 315 1.000 60.862 7.576 36.942 -99.200 -91.000 TYR 319 0.840 68.692 1.965 39.070 -99.200 -91.000 HIS 321 0.900 74.476 -0.408 41.089 -99.200 -91.000 PHE 340 1.000 57.099 0.990 42.690 -99.200 -91.000 PHE 344 1.000 65.903 -8.128 38.751 -99.200 -91.000