============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 2 1.000 23.221 7.023 22.224 -99.200 -91.000 PHE 7 1.000 23.803 1.873 33.580 -99.200 -91.000 TYR 9 0.840 20.990 -8.127 35.760 -99.200 -91.000 TYR 20 0.840 14.316 -4.912 40.506 -99.200 -91.000 PHE 33 1.000 20.851 -2.621 34.419 -99.200 -91.000 HIS 36 0.900 21.927 9.336 24.849 -99.200 -91.000 TRP 40 1.040 14.603 3.821 30.621 -99.200 -91.000 TRP6 40 1.020 14.977 3.337 32.888 -99.200 -91.000 PHE 48 1.000 8.327 -9.310 31.028 -99.200 -91.000 TYR 65 0.840 19.336 -21.766 19.081 -99.200 -91.000 TYR 66 0.840 11.647 -21.744 18.778 -99.200 -91.000 TYR 70 0.840 20.076 -15.386 25.033 -99.200 -91.000 TYR 80 0.840 20.247 -8.174 26.054 -99.200 -91.000 PHE 88 1.000 21.730 1.500 21.646 -99.200 -91.000 TYR 92 0.840 26.898 9.207 19.647 -99.200 -91.000 PHE 110 1.000 1.008 15.315 18.766 -99.200 -91.000 TRP 111 1.040 3.300 14.604 25.538 -99.200 -91.000 TRP6 111 1.020 2.839 15.729 27.546 -99.200 -91.000 TYR 137 0.840 5.388 0.481 40.252 -99.200 -91.000 PHE 156 1.000 18.064 -10.698 16.745 -99.200 -91.000 PHE 161 1.000 3.058 -2.187 25.012 -99.200 -91.000 HIS 163 0.900 -5.233 5.890 21.175 -99.200 -91.000 TYR 173 0.840 -1.130 11.498 16.836 -99.200 -91.000 TYR 178 0.840 8.448 -1.499 25.052 -99.200 -91.000 PHE 181 1.000 20.582 -6.735 18.793 -99.200 -91.000 PHE 185 1.000 21.876 -16.778 20.582 -99.200 -91.000 PHE 187 1.000 20.041 -13.486 11.668 -99.200 -91.000 PHE 189 1.000 27.261 -12.161 4.874 -99.200 -91.000 PHE 206 1.000 33.209 -14.067 4.203 -99.200 -91.000 HIS 216 0.900 16.784 -4.447 8.981 -99.200 -91.000 HIS 220 0.900 12.325 -2.250 10.117 -99.200 -91.000 HIS 223 0.900 11.924 3.637 8.459 -99.200 -91.000 TYR 226 0.840 11.297 11.434 13.828 -99.200 -91.000 PHE 236 1.000 9.204 -7.318 -5.490 -99.200 -91.000 TYR 243 0.840 15.681 -21.670 -5.995 -99.200 -91.000 TYR 244 0.840 12.668 -14.403 -1.537 -99.200 -91.000 PHE 253 1.000 5.588 -1.696 -1.552 -99.200 -91.000 PHE 259 1.000 19.864 -4.519 1.947 -99.200 -91.000 HIS 262 0.900 17.957 -3.125 -7.904 -99.200 -91.000 PHE 266 1.000 13.320 -5.344 -6.235 -99.200 -91.000 PHE 275 1.000 3.841 3.821 0.552 -99.200 -91.000 TYR 278 0.840 -1.241 7.506 4.686 -99.200 -91.000 TYR 279 0.840 3.699 7.556 5.994 -99.200 -91.000 TYR 280 0.840 2.601 18.304 3.082 -99.200 -91.000 PHE 283 1.000 5.906 14.414 9.839 -99.200 -91.000 TYR 305 0.840 10.491 20.874 27.000 -99.200 -91.000 PHE 310 1.000 5.346 16.486 20.780 -99.200 -91.000 TYR 314 0.840 6.078 15.333 14.584 -99.200 -91.000 PHE 324 1.000 4.151 24.952 16.702 -99.200 -91.000 PHE 331 1.000 6.748 15.021 5.113 -99.200 -91.000 TYR 335 0.840 8.769 10.090 3.588 -99.200 -91.000 TYR 342 0.840 18.872 8.720 9.805 -99.200 -91.000 PHE 347 1.000 23.579 2.881 10.309 -99.200 -91.000 PHE 350 1.000 28.738 6.587 6.985 -99.200 -91.000 PHE 351 1.000 28.340 -0.090 11.653 -99.200 -91.000 TYR 359 0.840 14.396 -8.304 4.588 -99.200 -91.000 PHE 362 1.000 15.578 -18.479 -0.211 -99.200 -91.000 PHE 367 1.000 28.027 -19.183 12.001 -99.200 -91.000 TYR 377 0.840 31.751 -6.417 17.438 -99.200 -91.000 TYR 380 0.840 36.738 3.237 18.426 -99.200 -91.000 PHE 383 1.000 32.303 -10.733 15.086 -99.200 -91.000 PHE 394 1.000 34.956 -6.977 3.839 -99.200 -91.000 PHE 406 1.000 32.128 -15.487 13.823 -99.200 -91.000 PHE 412 1.000 18.956 -20.467 10.121 -99.200 -91.000 PHE 416 1.000 15.624 -21.260 3.983 -99.200 -91.000