============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 13 0.840 -11.230 -20.698 -27.967 -99.200 -91.000 PHE 27 1.000 -11.693 -20.957 -34.822 -99.200 -91.000 HIS 53 0.900 -22.225 -38.613 -38.509 -99.200 -91.000 TYR 57 0.840 -23.367 -28.686 -42.281 -99.200 -91.000 PHE 66 1.000 -22.737 -26.754 -50.006 -99.200 -91.000 PHE 68 1.000 -20.535 -21.237 -45.594 -99.200 -91.000 PHE 72 1.000 -16.144 -16.348 -46.092 -99.200 -91.000 TYR 83 0.840 -15.552 -5.430 -43.031 -99.200 -91.000 PHE 92 1.000 -2.256 -23.420 -54.933 -99.200 -91.000 PHE 97 1.000 -3.371 -36.515 -60.295 -99.200 -91.000 HIS 98 0.900 -11.286 -33.550 -66.165 -99.200 -91.000 PHE 103 1.000 -14.589 -28.882 -56.800 -99.200 -91.000 TYR 110 0.840 -22.979 -20.279 -57.131 -99.200 -91.000 PHE 111 1.000 -18.094 -23.481 -52.209 -99.200 -91.000 HIS 117 0.900 -4.762 -28.675 -63.202 -99.200 -91.000 PHE 120 1.000 0.673 -29.963 -55.071 -99.200 -91.000 TYR 129 0.840 2.091 -20.228 -58.965 -99.200 -91.000 TRP 133 1.040 -3.171 -17.941 -56.429 -99.200 -91.000 TRP6 133 1.020 -4.820 -18.247 -54.763 -99.200 -91.000 PHE 151 1.000 3.950 -28.175 -50.885 -99.200 -91.000 TYR 156 0.840 0.047 -37.885 -56.464 -99.200 -91.000 TYR 164 0.840 -4.716 -8.017 -42.901 -99.200 -91.000 PHE 165 1.000 -11.932 -7.780 -39.699 -99.200 -91.000 TRP 169 1.040 -10.298 0.105 -33.244 -99.200 -91.000 TRP6 169 1.020 -11.276 -1.998 -32.785 -99.200 -91.000 PHE 173 1.000 -8.666 2.099 -28.788 -99.200 -91.000 PHE 181 1.000 -0.928 1.334 -19.274 -99.200 -91.000 PHE 183 1.000 -1.207 -9.359 -21.987 -99.200 -91.000 TYR 197 0.840 -7.613 6.530 -21.802 -99.200 -91.000 PHE 202 1.000 -15.042 1.445 -26.324 -99.200 -91.000 TYR 203 0.840 -23.126 -1.807 -28.731 -99.200 -91.000 TYR 204 0.840 -18.483 -3.086 -18.745 -99.200 -91.000 PHE 207 1.000 -22.416 -10.827 -19.662 -99.200 -91.000 TYR 218 0.840 -17.735 -13.752 -18.132 -99.200 -91.000 TYR 225 0.840 -13.470 -3.963 -36.217 -99.200 -91.000 TRP 258 1.040 -20.816 -13.302 -23.010 -99.200 -91.000 TRP6 258 1.020 -19.071 -14.574 -23.984 -99.200 -91.000 TYR 270 0.840 -6.706 2.240 -19.140 -99.200 -91.000 PHE 274 1.000 -4.642 -7.771 -30.313 -99.200 -91.000 PHE 295 1.000 -7.886 -34.893 -44.518 -99.200 -91.000 PHE 311 1.000 -3.558 -39.132 -51.204 -99.200 -91.000 HIS 317 0.900 -8.211 -20.863 -41.428 -99.200 -91.000 PHE 320 1.000 -1.024 -10.719 -39.643 -99.200 -91.000 TYR 341 0.840 -18.124 8.188 -18.428 -99.200 -91.000 HIS 348 0.900 -6.360 -9.787 -17.201 -99.200 -91.000 PHE 350 1.000 -7.188 -9.820 -25.690 -99.200 -91.000 PHE 351 1.000 -13.708 -16.431 -26.768 -99.200 -91.000 PHE 352 1.000 -9.324 -12.710 -30.845 -99.200 -91.000 PHE 364 1.000 -11.171 -13.293 -38.829 -99.200 -91.000 HIS 370 0.900 2.370 -16.180 -25.171 -99.200 -91.000