============================================================================= 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. PHE 15 1.000 33.488 55.622 41.015 -99.200 -91.000 PHE 17 1.000 26.562 57.219 46.869 -99.200 -91.000 TYR 29 0.840 21.601 53.211 47.838 -99.200 -91.000 PHE 37 1.000 29.991 54.798 44.737 -99.200 -91.000 TRP 48 1.040 12.715 76.232 43.688 -99.200 -91.000 TRP6 48 1.020 13.645 78.156 42.644 -99.200 -91.000 PHE 58 1.000 14.110 78.197 51.558 -99.200 -91.000 PHE 60 1.000 17.179 74.133 53.554 -99.200 -91.000 TYR 69 0.840 26.411 57.995 53.178 -99.200 -91.000 TYR 78 0.840 29.266 68.541 42.222 -99.200 -91.000 HIS 80 0.900 22.172 67.937 40.154 -99.200 -91.000 TRP 84 1.040 17.527 71.032 35.734 -99.200 -91.000 TRP6 84 1.020 16.750 68.986 36.651 -99.200 -91.000 HIS 85 0.900 15.159 72.618 32.046 -99.200 -91.000 TRP 91 1.040 6.878 77.826 45.147 -99.200 -91.000 TRP6 91 1.020 8.455 79.601 45.157 -99.200 -91.000 PHE 100 1.000 11.509 82.745 37.676 -99.200 -91.000 HIS 107 0.900 15.794 77.123 45.736 -99.200 -91.000 HIS 114 0.900 20.038 74.038 55.842 -99.200 -91.000 PHE 115 1.000 22.035 71.665 52.321 -99.200 -91.000 TRP 122 1.040 26.123 74.875 46.531 -99.200 -91.000 TRP6 122 1.020 24.152 73.568 46.767 -99.200 -91.000 PHE 129 1.000 25.083 77.563 27.595 -99.200 -91.000 PHE 141 1.000 15.204 79.228 37.012 -99.200 -91.000 TYR 149 0.840 19.186 81.482 33.572 -99.200 -91.000 PHE 154 1.000 27.696 79.937 37.989 -99.200 -91.000 TYR 171 0.840 21.010 67.271 28.381 -99.200 -91.000 TYR 184 0.840 36.285 77.482 24.973 -99.200 -91.000 PHE 190 1.000 29.127 83.765 33.567 -99.200 -91.000 PHE 202 1.000 32.710 69.207 30.527 -99.200 -91.000 HIS 205 0.900 22.850 61.417 32.868 -99.200 -91.000 PHE 215 1.000 33.777 63.237 28.210 -99.200 -91.000 PHE 222 1.000 34.158 73.695 28.284 -99.200 -91.000 TYR 254 0.840 30.301 52.946 33.471 -99.200 -91.000 TRP 273 1.040 21.883 60.897 38.111 -99.200 -91.000 TRP6 273 1.020 22.730 62.688 39.411 -99.200 -91.000 TYR 279 0.840 16.648 50.959 44.423 -99.200 -91.000 TRP 281 1.040 18.821 58.709 34.803 -99.200 -91.000 TRP6 281 1.020 18.212 59.888 32.836 -99.200 -91.000 PHE 286 1.000 16.504 58.390 27.582 -99.200 -91.000 TRP 295 1.040 27.957 47.261 42.612 -99.200 -91.000 TRP6 295 1.020 29.222 49.271 42.615 -99.200 -91.000 TYR 299 0.840 21.759 46.531 45.694 -99.200 -91.000 TYR 305 0.840 34.189 47.061 41.424 -99.200 -91.000 PHE 312 1.000 38.915 56.701 39.182 -99.200 -91.000