============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 -2.071 -15.498 17.453 -99.200 -91.000 TYR 10 0.840 -8.183 -17.652 11.998 -99.200 -91.000 TYR 14 0.840 -7.316 -28.421 8.819 -99.200 -91.000 TYR 15 0.840 -0.260 -28.897 14.643 -99.200 -91.000 PHE 32 1.000 13.323 -28.666 8.298 -99.200 -91.000 HIS 92 0.900 -15.698 -0.301 5.592 -99.200 -91.000 PHE 100 1.000 -20.141 8.958 5.456 -99.200 -91.000 PHE 104 1.000 -4.546 3.307 2.935 -99.200 -91.000 TYR 110 0.840 8.704 -0.557 6.431 -99.200 -91.000 TYR 122 0.840 -7.060 9.420 9.994 -99.200 -91.000 TYR 141 0.840 9.662 -18.779 1.414 -99.200 -91.000 HIS 162 0.900 -5.630 10.781 20.324 -99.200 -91.000 TYR 176 0.840 19.995 1.532 5.739 -99.200 -91.000 TYR 181 0.840 15.997 -6.629 -7.185 -99.200 -91.000 PHE 183 1.000 10.544 -12.844 -0.199 -99.200 -91.000 TRP 184 1.040 13.025 -10.472 -7.222 -99.200 -91.000 TRP6 184 1.020 15.044 -11.615 -6.735 -99.200 -91.000 HIS 189 0.900 8.651 -15.415 -11.118 -99.200 -91.000 TYR 191 0.840 5.028 -21.738 -5.191 -99.200 -91.000 TYR 203 0.840 15.995 -9.957 10.225 -99.200 -91.000 PHE 207 1.000 18.655 -5.157 15.228 -99.200 -91.000 TRP 211 1.040 21.242 -0.299 17.984 -99.200 -91.000 TRP6 211 1.020 19.869 0.489 19.740 -99.200 -91.000 TYR 214 0.840 15.610 4.258 18.726 -99.200 -91.000 PHE 225 1.000 15.228 0.323 23.354 -99.200 -91.000 PHE 230 1.000 15.559 -8.286 17.122 -99.200 -91.000 HIS 231 0.900 10.046 -10.489 9.285 -99.200 -91.000 PHE 234 1.000 15.301 -18.276 9.662 -99.200 -91.000 TYR 261 0.840 14.761 -13.597 19.499 -99.200 -91.000 TYR 267 0.840 1.722 -16.783 21.965 -99.200 -91.000 TYR 270 0.840 5.277 -24.139 19.813 -99.200 -91.000 TYR 275 0.840 5.788 -13.861 3.288 -99.200 -91.000 TYR 280 0.840 3.713 -5.053 13.855 -99.200 -91.000 PHE 301 1.000 15.108 -4.394 11.689 -99.200 -91.000 TYR 303 0.840 14.821 -7.065 5.995 -99.200 -91.000 PHE 311 1.000 15.160 -0.314 17.684 -99.200 -91.000 TYR 312 0.840 7.853 0.395 15.886 -99.200 -91.000 TYR 320 0.840 1.263 -5.341 29.716 -99.200 -91.000 HIS 323 0.900 -7.235 -3.206 28.811 -99.200 -91.000 HIS 329 0.900 -3.994 -13.908 21.724 -99.200 -91.000 TYR 344 0.840 2.874 -28.972 3.800 -99.200 -91.000 PHE 347 1.000 -5.700 -29.494 4.306 -99.200 -91.000 PHE 348 1.000 2.354 -25.159 -0.863 -99.200 -91.000 PHE 351 1.000 -4.009 -20.810 0.004 -99.200 -91.000 PHE 356 1.000 -13.792 -22.194 -3.146 -99.200 -91.000 HIS 364 0.900 -21.486 -28.753 10.342 -99.200 -91.000 HIS 368 0.900 -20.122 -20.109 16.838 -99.200 -91.000 PHE 370 1.000 -16.210 -12.336 9.405 -99.200 -91.000 TYR 371 0.840 -16.678 -21.045 5.823 -99.200 -91.000 TYR 382 0.840 -14.340 -13.664 1.542 -99.200 -91.000 HIS 383 0.900 -19.921 -19.138 7.901 -99.200 -91.000