============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. HIS 10 0.900 27.709 5.751 21.509 -99.200 -91.000 PHE 13 1.000 12.901 5.799 23.672 -99.200 -91.000 PHE 18 1.000 20.471 -0.930 30.647 -99.200 -91.000 TYR 20 0.840 18.525 -10.693 34.545 -99.200 -91.000 TYR 31 0.840 18.359 -7.035 42.994 -99.200 -91.000 PHE 43 1.000 18.290 -5.082 33.531 -99.200 -91.000 HIS 46 0.900 14.367 7.958 26.407 -99.200 -91.000 TRP 50 1.040 12.610 2.497 35.688 -99.200 -91.000 TRP6 50 1.020 14.548 1.739 36.830 -99.200 -91.000 PHE 58 1.000 6.603 -9.635 40.144 -99.200 -91.000 TYR 74 0.840 2.955 -21.836 24.150 -99.200 -91.000 TYR 75 0.840 -2.301 -20.773 29.727 -99.200 -91.000 TYR 79 0.840 8.967 -16.346 27.800 -99.200 -91.000 TYR 89 0.840 11.025 -9.406 28.280 -99.200 -91.000 PHE 97 1.000 10.619 0.461 24.209 -99.200 -91.000 TYR 101 0.840 13.707 7.819 19.012 -99.200 -91.000 PHE 119 1.000 -3.117 17.022 37.726 -99.200 -91.000 TRP 120 1.040 2.975 14.994 40.984 -99.200 -91.000 TRP6 120 1.020 4.237 15.767 42.820 -99.200 -91.000 TYR 146 0.840 12.424 2.605 50.456 -99.200 -91.000 PHE 165 1.000 2.351 -10.466 23.269 -99.200 -91.000 PHE 170 1.000 -0.380 -1.545 40.145 -99.200 -91.000 HIS 172 0.900 -7.490 7.669 43.626 -99.200 -91.000 TYR 182 0.840 -6.669 13.806 37.692 -99.200 -91.000 TYR 187 0.840 3.312 -1.276 36.230 -99.200 -91.000 PHE 190 1.000 6.394 -7.195 23.007 -99.200 -91.000 PHE 194 1.000 6.813 -17.654 23.463 -99.200 -91.000 PHE 196 1.000 -0.863 -11.707 16.655 -99.200 -91.000 PHE 198 1.000 -0.541 -11.510 8.872 -99.200 -91.000 PHE 213 1.000 2.318 -14.069 4.321 -99.200 -91.000 HIS 223 0.900 -2.914 -2.998 19.348 -99.200 -91.000 HIS 227 0.900 -4.617 -0.494 23.455 -99.200 -91.000 HIS 230 0.900 -5.173 5.456 22.393 -99.200 -91.000 TYR 233 0.840 -0.195 12.742 26.833 -99.200 -91.000 PHE 243 1.000 -18.766 -1.359 16.460 -99.200 -91.000 PHE 248 1.000 -17.566 2.024 20.196 -99.200 -91.000 PHE 254 1.000 -5.854 -3.606 12.835 -99.200 -91.000 HIS 257 0.900 -10.105 1.870 4.986 -99.200 -91.000 PHE 261 1.000 -16.097 -0.977 10.100 -99.200 -91.000 PHE 270 1.000 -16.239 7.868 22.747 -99.200 -91.000 TYR 273 0.840 -15.985 12.134 29.679 -99.200 -91.000 TYR 274 0.840 -11.579 11.211 27.347 -99.200 -91.000 TYR 275 0.840 -12.371 22.189 25.310 -99.200 -91.000 PHE 278 1.000 -6.350 16.745 28.032 -99.200 -91.000 TYR 300 0.840 10.417 21.652 37.878 -99.200 -91.000 PHE 305 1.000 1.648 17.241 36.250 -99.200 -91.000 TYR 309 0.840 -2.494 17.069 31.197 -99.200 -91.000 PHE 319 1.000 -0.613 26.539 34.285 -99.200 -91.000 PHE 326 1.000 -8.777 18.091 23.855 -99.200 -91.000 TYR 330 0.840 -9.437 13.191 21.535 -99.200 -91.000 TYR 337 0.840 1.462 9.551 18.384 -99.200 -91.000 PHE 342 1.000 4.107 3.072 15.261 -99.200 -91.000 PHE 345 1.000 5.711 6.643 9.226 -99.200 -91.000 PHE 346 1.000 7.691 -0.628 12.367 -99.200 -91.000 TYR 354 0.840 -8.218 -6.252 18.008 -99.200 -91.000 PHE 357 1.000 -7.037 -12.945 16.750 -99.200 -91.000 PHE 362 1.000 3.706 -19.329 13.583 -99.200 -91.000 TYR 372 0.840 12.700 -8.051 13.940 -99.200 -91.000 TYR 375 0.840 18.198 0.925 9.702 -99.200 -91.000 PHE 378 1.000 10.571 -12.106 12.070 -99.200 -91.000 PHE 389 1.000 4.714 -7.571 2.288 -99.200 -91.000 PHE 401 1.000 8.515 -16.346 11.510 -99.200 -91.000 PHE 407 1.000 -4.490 -24.462 27.893 -99.200 -91.000