============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 11 1.000 -0.321 1.966 38.967 -99.200 -91.000 HIS 14 0.900 1.978 7.268 41.266 -99.200 -91.000 PHE 15 1.000 1.582 4.622 33.625 -99.200 -91.000 TYR 24 0.840 9.649 17.409 34.907 -99.200 -91.000 TYR 30 0.840 14.818 4.081 34.768 -99.200 -91.000 TYR 56 0.840 26.849 -8.095 27.741 -99.200 -91.000 TYR 62 0.840 26.248 -3.590 43.259 -99.200 -91.000 TYR 75 0.840 32.858 -13.828 39.087 -99.200 -91.000 TYR 80 0.840 22.667 -16.065 46.876 -99.200 -91.000 PHE 86 1.000 11.829 -17.521 49.171 -99.200 -91.000 TYR 90 0.840 12.508 -13.587 42.260 -99.200 -91.000 PHE 104 1.000 22.528 -21.641 34.265 -99.200 -91.000 TRP 105 1.040 23.680 -26.597 32.900 -99.200 -91.000 TRP6 105 1.020 21.337 -26.602 33.296 -99.200 -91.000 TRP 109 1.040 24.267 -31.044 42.370 -99.200 -91.000 TRP6 109 1.020 22.654 -32.680 41.783 -99.200 -91.000 HIS 114 0.900 13.792 -28.182 43.107 -99.200 -91.000 HIS 132 0.900 20.521 -24.877 22.730 -99.200 -91.000 TYR 133 0.840 21.358 -22.098 29.661 -99.200 -91.000 TRP 134 1.040 18.240 -25.753 26.060 -99.200 -91.000 TRP6 134 1.020 18.449 -23.411 25.916 -99.200 -91.000 TYR 142 0.840 29.198 -37.175 31.334 -99.200 -91.000 TYR 143 0.840 25.505 -29.144 29.800 -99.200 -91.000 TRP 159 1.040 4.905 -19.528 27.580 -99.200 -91.000 TRP6 159 1.020 3.459 -17.656 27.760 -99.200 -91.000 PHE 164 1.000 16.550 -28.989 30.037 -99.200 -91.000 HIS 174 0.900 15.463 -22.988 29.862 -99.200 -91.000 PHE 175 1.000 8.763 -22.463 33.996 -99.200 -91.000 HIS 176 0.900 14.305 -19.424 25.278 -99.200 -91.000 TYR 177 0.840 7.874 -13.343 26.978 -99.200 -91.000 TRP 180 1.040 11.392 -8.048 27.420 -99.200 -91.000 TRP6 180 1.020 10.883 -8.637 29.650 -99.200 -91.000 HIS 183 0.900 19.958 -2.475 26.335 -99.200 -91.000 PHE 195 1.000 7.704 -16.469 30.826 -99.200 -91.000 TYR 202 0.840 4.657 -24.956 35.140 -99.200 -91.000 HIS 215 0.900 19.564 -17.072 31.244 -99.200 -91.000 PHE 226 1.000 9.925 -13.590 35.398 -99.200 -91.000 TYR 245 0.840 11.510 5.072 44.144 -99.200 -91.000 HIS 249 0.900 15.749 1.871 47.299 -99.200 -91.000 HIS 254 0.900 19.359 -7.069 47.609 -99.200 -91.000 HIS 257 0.900 23.835 -0.410 34.996 -99.200 -91.000 TYR 265 0.840 10.059 3.093 37.303 -99.200 -91.000 TYR 267 0.840 5.775 -4.490 29.373 -99.200 -91.000 HIS 269 0.900 5.098 2.928 37.005 -99.200 -91.000