============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 4 1.000 15.420 -0.933 27.384 -99.200 -91.000 PHE 6 1.000 21.719 -2.329 23.807 -99.200 -91.000 PHE 32 1.000 16.204 7.305 10.181 -99.200 -91.000 TYR 62 0.840 5.512 22.518 20.401 -99.200 -91.000 HIS 63 0.900 5.147 19.296 16.110 -99.200 -91.000 HIS 80 0.900 1.956 2.335 20.727 -99.200 -91.000 PHE 82 1.000 -5.454 9.961 16.857 -99.200 -91.000 TRP 85 1.040 4.562 1.908 15.078 -99.200 -91.000 TRP6 85 1.020 5.730 1.260 13.124 -99.200 -91.000 TYR 96 0.840 15.453 20.487 19.188 -99.200 -91.000 PHE 112 1.000 4.448 25.297 25.239 -99.200 -91.000 HIS 115 0.900 3.422 25.603 16.413 -99.200 -91.000 HIS 121 0.900 -0.886 24.266 25.629 -99.200 -91.000 HIS 133 0.900 0.121 6.798 31.866 -99.200 -91.000 PHE 143 1.000 10.481 19.590 30.019 -99.200 -91.000 TYR 149 0.840 28.105 25.303 18.227 -99.200 -91.000 TRP 166 1.040 14.021 20.790 35.101 -99.200 -91.000 TRP6 166 1.020 13.610 22.080 33.162 -99.200 -91.000 PHE 174 1.000 9.273 5.204 33.315 -99.200 -91.000 PHE 187 1.000 16.303 4.847 25.814 -99.200 -91.000 PHE 195 1.000 32.002 24.462 26.627 -99.200 -91.000 PHE 211 1.000 17.537 8.627 33.603 -99.200 -91.000 TYR 214 0.840 22.309 6.019 30.764 -99.200 -91.000 PHE 229 1.000 31.339 12.239 12.645 -99.200 -91.000 PHE 234 1.000 34.624 15.359 24.567 -99.200 -91.000 HIS 245 0.900 26.077 3.929 24.458 -99.200 -91.000 TYR 246 0.840 17.301 9.030 20.571 -99.200 -91.000 PHE 267 1.000 22.601 6.855 14.464 -99.200 -91.000 PHE 275 1.000 19.147 11.205 2.052 -99.200 -91.000 TRP 277 1.040 23.053 2.224 -1.766 -99.200 -91.000 TRP6 277 1.020 23.360 2.317 0.578 -99.200 -91.000 PHE 288 1.000 18.242 13.547 -11.611 -99.200 -91.000 HIS 300 0.900 15.680 -3.859 -0.132 -99.200 -91.000 TRP 307 1.040 5.502 4.307 -10.021 -99.200 -91.000 TRP6 307 1.020 5.087 3.223 -7.959 -99.200 -91.000 TYR 311 0.840 4.617 8.746 -12.217 -99.200 -91.000 HIS 313 0.900 12.022 16.499 -13.438 -99.200 -91.000 HIS 314 0.900 4.164 14.857 -14.293 -99.200 -91.000 HIS 330 0.900 15.026 5.957 -2.717 -99.200 -91.000 PHE 334 1.000 20.395 5.447 0.758 -99.200 -91.000 TYR 335 0.840 18.137 8.365 6.333 -99.200 -91.000 PHE 351 1.000 30.498 0.507 11.182 -99.200 -91.000 PHE 354 1.000 28.345 -0.069 5.116 -99.200 -91.000 PHE 358 1.000 27.715 5.861 3.289 -99.200 -91.000 TYR 362 0.840 25.973 9.657 0.805 -99.200 -91.000 PHE 363 1.000 30.534 11.885 1.835 -99.200 -91.000