============================================================================= 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. TYR 16 0.840 27.655 20.373 44.960 -99.200 -91.000 PHE 19 1.000 37.498 18.249 33.503 -99.200 -91.000 TYR 27 0.840 48.780 21.307 30.502 -99.200 -91.000 PHE 32 1.000 40.020 18.442 38.397 -99.200 -91.000 TYR 35 0.840 30.923 24.682 49.042 -99.200 -91.000 PHE 49 1.000 45.397 18.369 52.769 -99.200 -91.000 TYR 51 0.840 45.017 19.938 47.008 -99.200 -91.000 TYR 61 0.840 28.058 11.664 43.729 -99.200 -91.000 TRP 71 1.040 30.539 -0.689 50.368 -99.200 -91.000 TRP6 71 1.020 28.958 1.051 50.602 -99.200 -91.000 HIS 81 0.900 43.532 2.134 53.761 -99.200 -91.000 TYR 94 0.840 23.447 2.447 60.260 -99.200 -91.000 PHE 102 1.000 30.719 9.965 54.905 -99.200 -91.000 PHE 106 1.000 31.239 19.645 52.269 -99.200 -91.000 TYR 115 0.840 7.039 17.299 36.721 -99.200 -91.000 TYR 135 0.840 8.239 8.027 40.462 -99.200 -91.000 PHE 146 1.000 14.534 8.360 51.827 -99.200 -91.000 PHE 147 1.000 12.947 7.903 46.900 -99.200 -91.000 TYR 155 0.840 9.169 9.062 51.078 -99.200 -91.000 TRP 159 1.040 13.593 -0.004 45.571 -99.200 -91.000 TRP6 159 1.020 15.331 0.892 44.237 -99.200 -91.000 PHE 161 1.000 7.689 4.656 37.839 -99.200 -91.000 TYR 186 0.840 13.414 11.441 34.950 -99.200 -91.000 PHE 188 1.000 17.780 13.440 38.738 -99.200 -91.000 PHE 197 1.000 24.662 25.642 39.532 -99.200 -91.000 TYR 217 0.840 26.132 17.374 49.564 -99.200 -91.000 TYR 227 0.840 45.806 13.497 56.883 -99.200 -91.000 HIS 245 0.900 26.269 33.040 53.660 -99.200 -91.000 TRP 251 1.040 32.216 28.192 43.880 -99.200 -91.000 TRP6 251 1.020 33.000 28.106 41.656 -99.200 -91.000 TRP 252 1.040 24.176 26.512 45.280 -99.200 -91.000 TRP6 252 1.020 26.187 25.431 45.843 -99.200 -91.000