============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 86.945 58.865 -14.591 -99.200 -91.000 TYR 32 0.840 88.034 56.127 -10.512 -99.200 -91.000 TYR 33 0.840 89.595 46.903 -8.701 -99.200 -91.000 HIS 35 0.900 83.665 46.665 -11.385 -99.200 -91.000 TRP 36 1.040 83.865 46.522 -19.817 -99.200 -91.000 TRP6 36 1.020 83.192 47.739 -21.742 -99.200 -91.000 TRP 47 1.040 80.396 42.757 -12.139 -99.200 -91.000 TRP6 47 1.020 81.725 41.036 -11.195 -99.200 -91.000 TRP 50 1.040 87.065 43.088 -10.776 -99.200 -91.000 TRP6 50 1.020 89.410 43.243 -10.480 -99.200 -91.000 TYR 60 0.840 87.617 38.230 -18.225 -99.200 -91.000 PHE 64 1.000 78.839 37.410 -19.505 -99.200 -91.000 TYR 80 0.840 90.268 49.790 -26.347 -99.200 -91.000 TYR 93 0.840 77.347 43.423 -24.375 -99.200 -91.000 TYR 94 0.840 74.222 50.364 -19.838 -99.200 -91.000 HIS 99 0.900 86.824 56.527 -5.695 -99.200 -91.000 TYR 101 0.840 89.502 54.091 -2.287 -99.200 -91.000 PHE 106 1.000 79.455 48.890 -10.572 -99.200 -91.000 TYR 108 0.840 82.474 58.883 -11.192 -99.200 -91.000 TRP 109 1.040 76.618 53.228 -13.718 -99.200 -91.000 TRP6 109 1.020 75.849 51.056 -14.254 -99.200 -91.000 TYR 128 0.840 53.224 42.969 -47.876 -99.200 -91.000 TYR 151 0.840 62.718 46.066 -41.242 -99.200 -91.000 PHE 152 1.000 70.037 41.498 -40.005 -99.200 -91.000 TRP 160 1.040 52.197 57.437 -42.066 -99.200 -91.000 TRP6 160 1.020 50.845 55.953 -43.343 -99.200 -91.000 HIS 170 0.900 49.960 56.448 -32.155 -99.200 -91.000 PHE 172 1.000 52.184 50.730 -32.939 -99.200 -91.000 TYR 181 0.840 65.257 43.214 -36.823 -99.200 -91.000 TRP 194 1.040 42.405 57.900 -47.431 -99.200 -91.000 TRP6 194 1.020 41.089 55.930 -47.276 -99.200 -91.000 HIS 205 0.900 66.500 47.821 -44.916 -99.200 -91.000