============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. PHE 5 1.000 37.566 -6.986 -0.843 -99.200 -91.000 TYR 9 0.840 41.975 -3.618 -1.328 -99.200 -91.000 PHE 24 1.000 37.882 -13.339 11.564 -99.200 -91.000 HIS 31 0.900 33.410 -21.454 7.942 -99.200 -91.000 PHE 32 1.000 29.475 -18.503 11.191 -99.200 -91.000 PHE 58 1.000 5.757 -13.481 27.165 -99.200 -91.000 TRP 70 1.040 18.516 -20.047 32.324 -99.200 -91.000 TRP6 70 1.020 19.141 -18.260 30.900 -99.200 -91.000 PHE 106 1.000 32.384 6.456 20.737 -99.200 -91.000 PHE 110 1.000 32.010 0.779 12.068 -99.200 -91.000 TRP 118 1.040 34.820 1.307 0.279 -99.200 -91.000 TRP6 118 1.020 34.591 -0.902 1.061 -99.200 -91.000 TYR 138 0.840 39.662 16.474 13.369 -99.200 -91.000 TYR 146 0.840 39.146 18.524 19.000 -99.200 -91.000 HIS 163 0.900 18.279 -4.117 8.218 -99.200 -91.000 HIS 168 0.900 30.392 0.214 -1.477 -99.200 -91.000 TRP 171 1.040 31.000 -16.086 -0.861 -99.200 -91.000 TRP6 171 1.020 29.182 -17.221 0.120 -99.200 -91.000 PHE 181 1.000 33.492 -4.072 5.493 -99.200 -91.000 PHE 183 1.000 32.509 -10.577 14.887 -99.200 -91.000 TYR 186 0.840 35.936 -2.842 17.736 -99.200 -91.000 PHE 187 1.000 37.690 -11.343 17.003 -99.200 -91.000 PHE 188 1.000 42.767 -9.583 11.266 -99.200 -91.000 HIS 189 0.900 42.324 -4.425 10.911 -99.200 -91.000 TYR 191 0.840 42.679 -11.091 18.080 -99.200 -91.000 TYR 202 0.840 34.223 -5.378 26.292 -99.200 -91.000 PHE 203 1.000 32.010 -6.792 18.147 -99.200 -91.000 TYR 204 0.840 24.941 -1.474 23.167 -99.200 -91.000 TRP 211 1.040 14.693 -19.107 19.897 -99.200 -91.000 TRP6 211 1.020 16.135 -20.905 19.358 -99.200 -91.000 TRP 216 1.040 24.162 -16.119 11.587 -99.200 -91.000 TRP6 216 1.020 25.048 -13.932 11.549 -99.200 -91.000 TRP 217 1.040 24.439 -11.315 15.870 -99.200 -91.000 TRP6 217 1.020 26.313 -10.364 14.801 -99.200 -91.000 PHE 221 1.000 29.294 -12.252 18.991 -99.200 -91.000 TYR 223 0.840 35.166 -19.710 11.847 -99.200 -91.000 PHE 228 1.000 41.949 -14.427 14.417 -99.200 -91.000 PHE 248 1.000 5.327 -10.508 22.773 -99.200 -91.000 HIS 255 0.900 19.490 -21.454 27.267 -99.200 -91.000 HIS 260 0.900 30.004 -15.847 22.657 -99.200 -91.000 TRP 269 1.040 14.234 7.053 20.248 -99.200 -91.000 TRP6 269 1.020 12.351 8.443 20.490 -99.200 -91.000 TYR 271 0.840 9.166 -2.427 21.918 -99.200 -91.000 PHE 273 1.000 11.258 0.957 11.488 -99.200 -91.000 TYR 275 0.840 2.444 -1.051 18.994 -99.200 -91.000 TYR 282 0.840 -3.007 -7.417 14.019 -99.200 -91.000 PHE 299 1.000 3.475 1.233 23.151 -99.200 -91.000 TYR 303 0.840 10.961 -1.817 25.134 -99.200 -91.000 HIS 312 0.900 18.527 -5.817 36.761 -99.200 -91.000 PHE 317 1.000 25.678 -4.196 33.915 -99.200 -91.000 PHE 325 1.000 13.359 15.580 24.446 -99.200 -91.000 HIS 333 0.900 15.255 25.422 23.637 -99.200 -91.000 HIS 353 0.900 16.138 0.402 31.771 -99.200 -91.000 TRP 357 1.040 22.777 3.617 24.972 -99.200 -91.000 TRP6 357 1