============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 10 1.000 -96.698 27.882 -15.600 -99.200 -91.000 HIS 11 0.900 -87.870 21.582 -17.132 -99.200 -91.000 HIS 13 0.900 -94.831 18.023 -20.144 -99.200 -91.000 TYR 34 0.840 -101.031 37.289 -14.800 -99.200 -91.000 TYR 43 0.840 -79.527 27.591 -25.719 -99.200 -91.000 TYR 57 0.840 -82.302 31.580 -6.345 -99.200 -91.000 PHE 67 1.000 -93.617 49.121 -8.113 -99.200 -91.000 TRP 73 1.040 -79.973 40.974 -9.437 -99.200 -91.000 TRP6 73 1.020 -77.688 40.500 -9.008 -99.200 -91.000 PHE 77 1.000 -73.701 38.750 -5.557 -99.200 -91.000 PHE 81 1.000 -72.085 29.630 1.896 -99.200 -91.000 TRP 82 1.040 -75.127 27.072 -2.240 -99.200 -91.000 TRP6 82 1.020 -72.925 26.323 -1.794 -99.200 -91.000 PHE 91 1.000 -74.873 35.571 -10.991 -99.200 -91.000 PHE 97 1.000 -88.406 33.627 -8.713 -99.200 -91.000 PHE 101 1.000 -89.209 39.779 -8.345 -99.200 -91.000 TRP 102 1.040 -87.114 45.316 -13.600 -99.200 -91.000 TRP6 102 1.020 -86.982 47.681 -13.533 -99.200 -91.000 TYR 114 0.840 -90.863 51.937 -24.085 -99.200 -91.000 TYR 128 0.840 -78.021 38.420 -35.114 -99.200 -91.000 PHE 134 1.000 -79.206 24.428 -35.697 -99.200 -91.000 TRP 136 1.040 -85.349 33.232 -41.908 -99.200 -91.000 TRP6 136 1.020 -84.739 33.748 -39.683 -99.200 -91.000 TYR 149 0.840 -74.405 25.992 -44.170 -99.200 -91.000 TYR 161 0.840 -85.065 38.979 -40.641 -99.200 -91.000 HIS 171 0.900 -74.797 21.532 -38.127 -99.200 -91.000 PHE 181 1.000 -61.883 17.701 -30.548 -99.200 -91.000 HIS 216 0.900 -73.957 27.618 -31.808 -99.200 -91.000 HIS 218 0.900 -69.976 23.644 -31.314 -99.200 -91.000 PHE 227 1.000 -63.926 29.510 -40.267 -99.200 -91.000 PHE 234 1.000 -64.756 35.009 -48.067 -99.200 -91.000 PHE 237 1.000 -72.411 44.143 -38.033 -99.200 -91.000 PHE 238 1.000 -71.830 40.539 -33.753 -99.200 -91.000 TYR 239 0.840 -64.424 34.121 -35.406 -99.200 -91.000 TYR 269 0.840 -73.748 32.475 -17.102 -99.200 -91.000 TRP 272 1.040 -69.176 40.516 -8.924 -99.200 -91.000 TRP6 272 1.020 -71.365 41.353 -8.571 -99.200 -91.000 PHE 274 1.000 -71.292 39.922 -19.991 -99.200 -91.000 PHE 277 1.000 -64.750 37.422 -20.983 -99.200 -91.000 PHE 296 1.000 -86.751 43.610 -18.331 -99.200 -91.000 PHE 299 1.000 -79.499 43.889 -21.628 -99.200 -91.000 HIS 307 0.900 -72.211 54.306 -23.892 -99.200 -91.000 PHE 309 1.000 -64.289 49.183 -19.502 -99.200 -91.000 HIS 316 0.900 -78.493 33.591 -26.187 -99.200 -91.000 HIS 329 0.900 -90.857 46.282 -22.995 -99.200 -91.000 PHE 337 1.000 -80.187 47.226 -30.627 -99.200 -91.000 HIS 340 0.900 -84.090 41.276 -30.776 -99.200 -91.000 HIS 342 0.900 -87.264 36.828 -34.852 -99.200 -91.000 HIS 343 0.900 -82.318 30.467 -32.254 -99.200 -91.000 TYR 351 0.840 -89.085 27.470 -28.423 -99.200 -91.000 HIS 357 0.900 -100.184 40.079 -27.210 -99.200 -91.000 TYR 359 0.840 -94.986 41.395 -28.904 -99.200 -91.000 TYR 366 0.840 -88.577 41.701 -33.004 -99.200 -91.000 TYR 383 0.840 -101.599 27.385 -15.686 -99.200 -91.000 TYR 388 0.840 -98.694 24.644 -11.811 -99.200 -91.000