============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 7 1.000 20.992 11.061 39.304 -99.200 -91.000 TYR 8 0.840 16.444 10.671 37.698 -99.200 -91.000 HIS 41 0.900 10.974 22.693 43.159 -99.200 -91.000 PHE 42 1.000 7.913 29.240 48.395 -99.200 -91.000 HIS 43 0.900 4.487 26.368 50.900 -99.200 -91.000 PHE 46 1.000 12.135 29.644 50.465 -99.200 -91.000 PHE 62 1.000 8.294 11.625 59.889 -99.200 -91.000 PHE 69 1.000 0.739 27.749 62.711 -99.200 -91.000 PHE 78 1.000 0.395 17.698 49.647 -99.200 -91.000 TRP 118 1.040 14.692 25.232 33.878 -99.200 -91.000 TRP6 118 1.020 12.507 25.977 34.392 -99.200 -91.000 PHE 131 1.000 13.494 17.721 58.281 -99.200 -91.000 PHE 143 1.000 1.827 37.152 58.815 -99.200 -91.000 PHE 144 1.000 7.273 36.486 57.159 -99.200 -91.000 PHE 153 1.000 12.466 34.176 48.720 -99.200 -91.000 HIS 171 0.900 2.655 34.865 44.978 -99.200 -91.000 PHE 173 1.000 1.305 29.373 37.667 -99.200 -91.000 PHE 180 1.000 -3.745 32.752 53.362 -99.200 -91.000 TYR 186 0.840 -13.120 44.502 54.336 -99.200 -91.000 PHE 188 1.000 -1.085 46.733 55.659 -99.200 -91.000 TYR 202 0.840 -6.853 43.864 42.406 -99.200 -91.000 PHE 230 1.000 5.772 31.335 35.163 -99.200 -91.000 TYR 234 0.840 3.947 39.019 41.047 -99.200 -91.000 TYR 235 0.840 7.645 40.179 38.055 -99.200 -91.000 PHE 252 1.000 6.600 49.795 41.659 -99.200 -91.000 PHE 267 1.000 12.799 40.145 37.037 -99.200 -91.000 PHE 274 1.000 8.779 36.341 35.303 -99.200 -91.000 PHE 275 1.000 8.660 33.601 30.300 -99.200 -91.000 PHE 278 1.000 9.859 30.993 37.589 -99.200 -91.000