============================================================================= 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 3 0.840 34.160 -0.637 16.349 -99.200 -91.000 HIS 10 0.900 29.648 13.105 18.946 -99.200 -91.000 TRP 12 1.040 23.092 13.121 24.562 -99.200 -91.000 TRP6 12 1.020 25.182 14.189 24.835 -99.200 -91.000 PHE 17 1.000 13.595 7.926 12.917 -99.200 -91.000 HIS 33 0.900 1.011 37.306 3.727 -99.200 -91.000 PHE 36 1.000 8.217 35.951 6.274 -99.200 -91.000 TYR 38 0.840 2.119 40.487 18.172 -99.200 -91.000 TRP 52 1.040 -2.317 16.336 19.797 -99.200 -91.000 TRP6 52 1.020 -1.873 15.136 17.806 -99.200 -91.000 TYR 57 0.840 -2.806 13.134 25.095 -99.200 -91.000 TRP 59 1.040 -7.572 16.655 29.661 -99.200 -91.000 TRP6 59 1.020 -5.457 17.729 29.613 -99.200 -91.000 TRP 65 1.040 -9.480 25.214 30.976 -99.200 -91.000 TRP6 65 1.020 -9.947 22.903 31.212 -99.200 -91.000 PHE 68 1.000 -0.454 29.030 22.028 -99.200 -91.000 PHE 83 1.000 1.784 28.432 39.487 -99.200 -91.000 TYR 97 0.840 15.799 17.961 29.941 -99.200 -91.000 PHE 100 1.000 11.861 18.127 35.021 -99.200 -91.000 PHE 101 1.000 18.346 17.009 39.414 -99.200 -91.000 TYR 122 0.840 14.404 3.281 37.117 -99.200 -91.000 PHE 126 1.000 2.911 6.450 44.944 -99.200 -91.000 HIS 128 0.900 12.445 9.949 49.976 -99.200 -91.000 PHE 133 1.000 4.229 15.735 47.929 -99.200 -91.000 HIS 145 0.900 10.922 10.381 35.762 -99.200 -91.000 TRP 152 1.040 4.894 8.495 35.711 -99.200 -91.000 TRP6 152 1.020 6.322 7.181 37.063 -99.200 -91.000 TYR 167 0.840 1.089 15.677 53.157 -99.200 -91.000 HIS 177 0.900 10.093 13.026 26.247 -99.200 -91.000 TYR 182 0.840 8.195 2.417 23.280 -99.200 -91.000 HIS 185 0.900 3.571 0.165 28.469 -99.200 -91.000 HIS 187 0.900 0.571 11.181 28.955 -99.200 -91.000 PHE 190 1.000 -1.316 14.773 38.815 -99.200 -91.000 PHE 209 1.000 4.088 15.726 15.390 -99.200 -91.000 PHE 230 1.000 2.972 29.445 32.765 -99.200 -91.000 TYR 235 0.840 2.283 42.475 30.621 -99.200 -91.000 PHE 239 1.000 5.474 34.051 25.647 -99.200 -91.000 HIS 240 0.900 7.005 40.583 22.988 -99.200 -91.000 PHE 245 1.000 8.540 31.088 9.392 -99.200 -91.000 TYR 247 0.840 1.518 31.341 17.615 -99.200 -91.000 TYR 253 0.840 -0.073 19.558 18.520 -99.200 -91.000 TRP 259 1.040 6.801 11.384 10.157 -99.200 -91.000 TRP6 259 1.020 7.263 12.050 12.378 -99.200 -91.000 PHE 265 1.000 5.937 -1.565 13.561 -99.200 -91.000 TYR 266 0.840 12.602 2.566 12.037 -99.200 -91.000 PHE 273 1.000 18.704 -4.493 16.672 -99.200 -91.000 TYR 277 0.840 23.926 -6.022 19.792 -99.200 -91.000 HIS 281 0.900 24.334 -10.979 20.548 -99.200 -91.000 PHE 293 1.000 13.191 10.975 21.112 -99.200 -91.000 TRP 296 1.040 18.185 5.001 33.104 -99.200 -91.000 TRP6 296 1.020 19.551 6.920 33.119 -99.200 -91.000 TYR 327 0.840 19.888 12.411 32.450 -99.200 -91.000 HIS 334 0.900 21.714 3.471 35.713 -99.200 -91.000 HIS 355 0.900 36.139 -3.156 20.063 -99.200 -91.000 PHE 357 1.000 31.118 -0.575 28.310 -99.200 -91.000