============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 13 1.000 -3.896 35.936 48.407 -99.200 -91.000 HIS 29 0.900 -8.611 53.434 41.105 -99.200 -91.000 PHE 41 1.000 3.621 45.645 41.701 -99.200 -91.000 TYR 45 0.840 -6.428 45.413 49.975 -99.200 -91.000 TYR 51 0.840 -16.530 49.967 44.841 -99.200 -91.000 PHE 91 1.000 -19.646 44.368 52.256 -99.200 -91.000 HIS 124 0.900 -21.396 58.877 70.479 -99.200 -91.000 TYR 151 0.840 -4.758 32.674 52.243 -99.200 -91.000 TYR 174 0.840 -10.440 37.696 65.359 -99.200 -91.000 PHE 183 1.000 -4.590 45.224 57.695 -99.200 -91.000 PHE 193 1.000 5.970 46.323 62.651 -99.200 -91.000 PHE 196 1.000 -0.190 40.158 65.975 -99.200 -91.000 PHE 210 1.000 0.284 61.065 52.242 -99.200 -91.000 TYR 215 0.840 5.559 56.521 53.928 -99.200 -91.000 TYR 216 0.840 9.653 49.963 59.002 -99.200 -91.000 PHE 221 1.000 6.254 46.829 55.730 -99.200 -91.000 PHE 225 1.000 4.094 42.482 59.143 -99.200 -91.000 TYR 229 0.840 3.204 48.283 48.522 -99.200 -91.000 TYR 241 0.840 -8.495 61.524 37.787 -99.200 -91.000 PHE 245 1.000 -9.752 66.797 34.950 -99.200 -91.000 TYR 267 0.840 -3.178 47.798 19.030 -99.200 -91.000 TYR 272 0.840 -8.334 47.574 18.568 -99.200 -91.000 HIS 273 0.900 -2.381 41.336 17.457 -99.200 -91.000 PHE 275 1.000 -10.856 42.099 22.922 -99.200 -91.000