============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 10 1.000 -0.869 6.958 -5.993 -99.200 -91.000 TYR 12 0.840 1.665 1.726 -3.019 -99.200 -91.000 HIS 22 0.900 -6.755 1.908 -3.820 -99.200 -91.000 PHE 23 1.000 -5.804 7.069 -10.191 -99.200 -91.000 TYR 26 0.840 -12.660 10.261 -1.515 -99.200 -91.000 PHE 37 1.000 -7.298 24.111 4.295 -99.200 -91.000 TYR 47 0.840 -18.197 12.906 1.995 -99.200 -91.000 PHE 53 1.000 -5.699 15.920 3.713 -99.200 -91.000 PHE 55 1.000 -4.172 21.054 2.082 -99.200 -91.000 PHE 84 1.000 -9.339 22.182 -11.509 -99.200 -91.000 PHE 97 1.000 9.879 16.568 -4.316 -99.200 -91.000 TRP 110 1.040 15.455 16.165 -3.507 -99.200 -91.000 TRP6 110 1.020 15.414 18.340 -4.437 -99.200 -91.000 PHE 111 1.000 12.588 21.799 -2.179 -99.200 -91.000 TRP 121 1.040 26.479 27.605 4.326 -99.200 -91.000 TRP6 121 1.020 25.797 25.342 4.195 -99.200 -91.000 HIS 123 0.900 29.433 29.264 1.355 -99.200 -91.000 HIS 128 0.900 29.447 44.360 9.721 -99.200 -91.000 PHE 146 1.000 11.294 39.716 -1.262 -99.200 -91.000 PHE 170 1.000 18.331 18.873 -13.259 -99.200 -91.000 PHE 182 1.000 22.765 31.555 -0.443 -99.200 -91.000 HIS 187 0.900 24.920 40.866 2.677 -99.200 -91.000 TYR 195 0.840 28.315 30.403 -6.256 -99.200 -91.000 TYR 196 0.840 32.745 23.498 -13.538 -99.200 -91.000 PHE 206 1.000 27.976 22.521 -17.414 -99.200 -91.000 HIS 215 0.900 9.860 31.199 -16.361 -99.200 -91.000 TYR 230 0.840 23.878 35.422 -14.179 -99.200 -91.000