============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 13 1.040 21.719 -28.294 12.328 -99.200 -91.000 TRP6 13 1.020 19.646 -27.494 13.146 -99.200 -91.000 TRP 16 1.040 21.568 -22.258 22.497 -99.200 -91.000 TRP6 16 1.020 19.634 -20.962 22.934 -99.200 -91.000 PHE 19 1.000 19.698 -21.524 12.166 -99.200 -91.000 PHE 38 1.000 13.975 -27.273 14.686 -99.200 -91.000 TRP 50 1.040 24.882 -32.267 5.840 -99.200 -91.000 TRP6 50 1.020 27.004 -31.579 6.616 -99.200 -91.000 TYR 55 0.840 27.793 -35.088 10.866 -99.200 -91.000 TYR 57 0.840 20.355 -39.108 17.716 -99.200 -91.000 TRP 64 1.040 10.545 -27.360 22.613 -99.200 -91.000 TRP6 64 1.020 8.572 -28.630 22.907 -99.200 -91.000 PHE 81 1.000 8.193 -25.713 16.495 -99.200 -91.000 HIS 83 0.900 1.592 -28.781 8.780 -99.200 -91.000 PHE 87 1.000 3.815 -32.476 9.002 -99.200 -91.000 TYR 91 0.840 9.800 -33.597 6.000 -99.200 -91.000 HIS 93 0.900 10.922 -40.824 13.745 -99.200 -91.000 TYR 102 0.840 16.089 -26.750 26.298 -99.200 -91.000 PHE 108 1.000 9.121 -19.978 34.890 -99.200 -91.000 TYR 113 0.840 10.112 -19.941 25.025 -99.200 -91.000 PHE 128 1.000 9.541 -34.200 25.900 -99.200 -91.000 TRP 131 1.040 4.108 -35.152 21.094 -99.200 -91.000 TRP6 131 1.020 5.009 -33.147 21.971 -99.200 -91.000 PHE 142 1.000 14.779 -19.437 35.228 -99.200 -91.000 TYR 152 0.840 19.360 -33.240 35.046 -99.200 -91.000 PHE 168 1.000 17.943 -37.912 30.643 -99.200 -91.000 TRP 172 1.040 22.711 -33.124 38.383 -99.200 -91.000 TRP6 172 1.020 22.348 -35.320 39.175 -99.200 -91.000 TYR 175 0.840 22.346 -25.724 34.510 -99.200 -91.000 TYR 185 0.840 31.645 -36.332 35.662 -99.200 -91.000 TRP 195 1.040 28.696 -36.455 31.309 -99.200 -91.000 TRP6 195 1.020 28.454 -38.799 31.268 -99.200 -91.000 TYR 198 0.840 33.984 -25.168 31.503 -99.200 -91.000 TRP 205 1.040 41.299 -20.228 18.690 -99.200 -91.000 TRP6 205 1.020 40.942 -22.521 18.220 -99.200 -91.000 TRP 206 1.040 38.719 -16.376 25.767 -99.200 -91.000 TRP6 206 1.020 36.952 -16.962 27.235 -99.200 -91.000 TRP 214 1.040 36.382 -27.182 33.529 -99.200 -91.000 TRP6 214 1.020 35.095 -29.152 33.285 -99.200 -91.000 PHE 215 1.000 35.136 -31.292 28.446 -99.200 -91.000 HIS 218 0.900 39.103 -29.412 35.907 -99.200 -91.000 HIS 230 0.900 29.717 -44.836 29.880 -99.200 -91.000 TRP 231 1.040 29.011 -41.271 24.031 -99.200 -91.000 TRP6 231 1.020 30.981 -42.468 23.511 -99.200 -91.000 PHE 242 1.000 27.632 -15.938 11.172 -99.200 -91.000 TRP 256 1.040 33.739 -30.673 20.229 -99.200 -91.000 TRP6 256 1.020 35.123 -29.029 21.233 -99.200 -91.000 HIS 301 0.900 55.575 -34.227 24.820 -99.200 -91.000 TYR 310 0.840 44.698 -32.196 23.020 -99.200 -91.000 PHE 323 1.000 51.585 -34.812 15.603 -99.200 -91.000 PHE 324 1.000 45.053 -26.603 19.628 -99.200 -91.000 TYR 332 0.840 57.331 -24.819 16.434 -99.200 -91.000 TYR 334 0.840 55.816 -31.402 18.060 -99.200 -91.000 HIS 335 0.900 62.097 -30.069 13.611 -99.200 -91.000 PHE 343 1.000 52.214 -43.843 19.665 -99.200 -91.000 TYR 349 0.840 53.240 -47.794 15.931 -99.200 -91.000 TYR 355 0.840 41.310 -31.698 8.995 -99.200 -91.000 PHE 369 1.000 56.619 -37.640 14.021 -99.200 -91.000 TRP 381 1.040 50.443 -37.589 11.119 -99.200 -91.000 TRP6 381 1.020 52.625 -38.279 11.706 -99.200 -91.000 TYR 382 0.840 43.415 -44.907 11.303 -99.200 -91.000 TYR 384 0.840 47.711 -47.326 8.966 -99.200 -91.000