============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 59.473 -14.564 9.652 -99.200 -91.000 PHE 8 1.000 54.878 -8.274 21.221 -99.200 -91.000 TRP 31 1.040 53.474 -4.295 43.259 -99.200 -91.000 TRP6 31 1.020 55.596 -3.349 43.745 -99.200 -91.000 TYR 37 0.840 46.333 -9.259 39.691 -99.200 -91.000 HIS 41 0.900 50.690 -24.005 42.341 -99.200 -91.000 TYR 54 0.840 43.543 -24.642 45.368 -99.200 -91.000 HIS 64 0.900 48.576 -11.527 60.225 -99.200 -91.000 PHE 66 1.000 48.749 -15.315 51.447 -99.200 -91.000 HIS 80 0.900 43.885 -12.977 53.014 -99.200 -91.000 TYR 101 0.840 46.998 -3.588 34.307 -99.200 -91.000 PHE 103 1.000 44.985 -8.501 34.586 -99.200 -91.000 PHE 112 1.000 51.457 -17.218 25.416 -99.200 -91.000 TYR 118 0.840 63.338 -20.539 36.694 -99.200 -91.000 TYR 126 0.840 59.567 -19.526 26.772 -99.200 -91.000 HIS 134 0.900 42.308 -25.112 25.024 -99.200 -91.000 PHE 140 1.000 64.194 -23.872 27.749 -99.200 -91.000 PHE 150 1.000 55.493 -10.093 27.866 -99.200 -91.000 TYR 154 0.840 50.642 1.655 18.510 -99.200 -91.000 PHE 159 1.000 50.806 -8.067 32.336 -99.200 -91.000 TYR 161 0.840 50.374 -19.716 30.456 -99.200 -91.000 HIS 163 0.900 53.999 -23.033 34.027 -99.200 -91.000 HIS 164 0.900 47.817 -20.990 37.820 -99.200 -91.000 HIS 172 0.900 55.952 -27.013 30.995 -99.200 -91.000 PHE 181 1.000 44.636 -24.288 35.581 -99.200 -91.000 TYR 182 0.840 44.484 -19.295 28.327 -99.200 -91.000 PHE 185 1.000 45.447 -29.372 30.543 -99.200 -91.000 TRP 207 1.040 57.630 -20.238 8.616 -99.200 -91.000 TRP6 207 1.020 58.181 -22.232 7.479 -99.200 -91.000 TYR 209 0.840 50.066 -15.940 1.777 -99.200 -91.000 TRP 218 1.040 61.606 -24.362 -1.888 -99.200 -91.000 TRP6 218 1.020 60.565 -26.458 -1.542 -99.200 -91.000 PHE 219 1.000 56.853 -21.919 -0.352 -99.200 -91.000 PHE 223 1.000 48.833 -28.535 -10.056 -99.200 -91.000 PHE 230 1.000 44.663 -26.835 3.361 -99.200 -91.000 TYR 237 0.840 49.665 -35.657 5.079 -99.200 -91.000 TYR 239 0.840 49.456 -29.092 8.706 -99.200 -91.000 HIS 246 0.900 40.869 -20.690 10.980 -99.200 -91.000 PHE 291 1.000 57.774 -17.221 13.167 -99.200 -91.000 PHE 294 1.000 49.581 -7.965 15.066 -99.200 -91.000