============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 12 1.000 15.269 14.932 23.032 -99.200 -91.000 TYR 18 0.840 22.648 13.012 20.395 -99.200 -91.000 PHE 20 1.000 26.980 10.325 18.914 -99.200 -91.000 TYR 24 0.840 17.205 7.891 29.316 -99.200 -91.000 TYR 31 0.840 21.502 15.611 42.165 -99.200 -91.000 HIS 37 0.900 20.842 11.181 26.896 -99.200 -91.000 TYR 38 0.840 24.988 7.289 31.285 -99.200 -91.000 PHE 50 1.000 39.395 11.054 25.325 -99.200 -91.000 HIS 54 0.900 25.124 20.305 28.601 -99.200 -91.000 TRP 59 1.040 20.946 18.834 23.328 -99.200 -91.000 TRP6 59 1.020 20.434 16.613 22.733 -99.200 -91.000 TYR 61 0.840 22.925 18.144 17.789 -99.200 -91.000 TYR 63 0.840 31.387 17.995 24.621 -99.200 -91.000 PHE 70 1.000 37.626 13.219 22.424 -99.200 -91.000 PHE 82 1.000 26.157 20.158 33.639 -99.200 -91.000 PHE 83 1.000 19.440 15.605 37.126 -99.200 -91.000 PHE 85 1.000 20.841 23.259 30.717 -99.200 -91.000 TYR 97 0.840 17.493 24.083 36.867 -99.200 -91.000 PHE 99 1.000 30.085 26.008 40.974 -99.200 -91.000 PHE 101 1.000 19.996 20.455 40.516 -99.200 -91.000 HIS 102 0.900 23.212 22.452 36.895 -99.200 -91.000 PHE 105 1.000 24.198 15.143 36.494 -99.200 -91.000 TRP 125 1.040 27.333 28.096 33.281 -99.200 -91.000 TRP6 125 1.020 27.667 28.131 35.621 -99.200 -91.000 PHE 128 1.000 31.836 29.339 33.290 -99.200 -91.000 PHE 141 1.000 38.334 13.937 37.343 -99.200 -91.000 PHE 160 1.000 39.850 33.156 35.202 -99.200 -91.000 PHE 163 1.000 33.084 36.105 31.713 -99.200 -91.000 PHE 171 1.000 27.299 36.588 31.122 -99.200 -91.000 TRP 174 1.040 25.657 33.734 27.218 -99.200 -91.000 TRP6 174 1.020 26.312 32.018 25.712 -99.200 -91.000 TYR 176 0.840 18.246 42.208 25.648 -99.200 -91.000 PHE 189 1.000 21.958 31.975 22.962 -99.200 -91.000 TRP 193 1.040 24.666 34.424 21.123 -99.200 -91.000 TRP6 193 1.020 26.329 35.925 21.846 -99.200 -91.000 TYR 205 0.840 23.088 23.026 19.755 -99.200 -91.000 PHE 209 1.000 15.859 23.522 26.484 -99.200 -91.000 TYR 214 0.840 9.022 20.840 28.534 -99.200 -91.000 PHE 221 1.000 24.221 26.036 33.601 -99.200 -91.000 PHE 241 1.000 43.391 19.240 41.058 -99.200 -91.000 TRP 242 1.040 42.240 23.014 37.709 -99.200 -91.000 TRP6 242 1.020 42.494 21.047 36.434 -99.200 -91.000 TRP 246 1.040 46.587 19.037 35.672 -99.200 -91.000 TRP6 246 1.020 45.189 17.125 35.466 -99.200 -91.000 PHE 251 1.000 45.031 20.179 22.204 -99.200 -91.000 TYR 267 0.840 46.970 33.263 25.028 -99.200 -91.000 HIS 287 0.900 30.859 30.409 24.871 -99.200 -91.000 PHE 288 1.000 27.589 27.799 21.952 -99.200 -91.000 PHE 292 1.000 34.922 26.132 13.308 -99.200 -91.000 HIS 303 0.900 50.079 18.458 23.490 -99.200 -91.000 PHE 304 1.000 45.449 14.652 25.988 -99.200 -91.000