============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 4 1.000 -13.862 38.247 29.006 -99.200 -91.000 TRP 5 1.040 -16.294 36.502 33.271 -99.200 -91.000 TRP6 5 1.020 -16.060 38.850 33.293 -99.200 -91.000 TYR 10 0.840 -6.569 40.380 28.091 -99.200 -91.000 HIS 21 0.900 -5.010 43.454 7.869 -99.200 -91.000 TYR 41 0.840 -18.038 29.661 -19.587 -99.200 -91.000 TRP 48 1.040 -16.433 26.538 -29.833 -99.200 -91.000 TRP6 48 1.020 -18.668 27.266 -30.019 -99.200 -91.000 TRP 52 1.040 -15.670 25.667 -33.941 -99.200 -91.000 TRP6 52 1.020 -15.869 24.043 -35.637 -99.200 -91.000 TYR 62 0.840 -26.457 26.151 -49.494 -99.200 -91.000 TRP 69 1.040 -22.644 25.759 -37.219 -99.200 -91.000 TRP6 69 1.020 -21.474 24.504 -38.840 -99.200 -91.000 HIS 83 0.900 -19.688 33.413 -17.427 -99.200 -91.000 TRP 101 1.040 -14.913 48.153 6.284 -99.200 -91.000 TRP6 101 1.020 -13.860 46.577 7.680 -99.200 -91.000 TYR 106 0.840 -8.759 45.634 10.625 -99.200 -91.000 HIS 107 0.900 -6.397 53.179 11.269 -99.200 -91.000 PHE 114 1.000 -3.209 45.273 11.541 -99.200 -91.000 PHE 124 1.000 -10.653 42.867 26.782 -99.200 -91.000 TRP 131 1.040 -9.997 39.146 38.857 -99.200 -91.000 TRP6 131 1.020 -11.665 38.924 40.504 -99.200 -91.000 TYR 145 0.840 -7.124 26.988 55.696 -99.200 -91.000 HIS 146 0.900 -5.760 24.646 51.109 -99.200 -91.000 TYR 174 0.840 -8.424 30.379 51.397 -99.200 -91.000 TYR 188 0.840 -12.093 40.633 36.554 -99.200 -91.000 PHE 196 1.000 -17.256 40.689 24.456 -99.200 -91.000 PHE 202 1.000 -12.413 47.530 14.512 -99.200 -91.000 PHE 209 1.000 -16.938 46.194 3.773 -99.200 -91.000 HIS 220 0.900 -20.902 43.088 -8.568 -99.200 -91.000 TYR 229 0.840 -27.299 33.351 -19.232 -99.200 -91.000 HIS 231 0.900 -34.271 40.407 -23.174 -99.200 -91.000 TYR 233 0.840 -28.214 31.031 -24.133 -99.200 -91.000 TRP 251 1.040 -28.652 32.127 -52.651 -99.200 -91.000 TRP6 251 1.020 -26.708 30.850 -52.172 -99.200 -91.000 PHE 252 1.000 -26.458 24.589 -54.818 -99.200 -91.000 TRP 264 1.040 -30.560 27.796 -73.435 -99.200 -91.000 TRP6 264 1.020 -29.849 25.675 -72.677 -99.200 -91.000 PHE 267 1.000 -25.015 31.360 -89.185 -99.200 -91.000