============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 1 0.840 -73.506 -20.473 34.014 -99.200 -91.000 PHE 15 1.000 -73.114 -18.277 24.315 -99.200 -91.000 TRP 22 1.040 -68.963 -16.256 32.492 -99.200 -91.000 TRP6 22 1.020 -70.339 -15.269 34.142 -99.200 -91.000 TYR 23 0.840 -64.835 -17.954 27.924 -99.200 -91.000 HIS 30 0.900 -73.646 -25.394 33.730 -99.200 -91.000 TYR 35 0.840 -72.571 -32.678 25.217 -99.200 -91.000 HIS 69 0.900 -49.467 -21.841 20.181 -99.200 -91.000 PHE 72 1.000 -60.934 -14.340 25.835 -99.200 -91.000 TYR 73 0.840 -57.629 -11.626 29.298 -99.200 -91.000 PHE 79 1.000 -62.445 -11.917 17.423 -99.200 -91.000 TYR 91 0.840 -61.638 -11.825 12.142 -99.200 -91.000 PHE 93 1.000 -58.874 -16.085 14.487 -99.200 -91.000 PHE 97 1.000 -57.510 -22.865 16.001 -99.200 -91.000 PHE 103 1.000 -55.354 -15.949 30.438 -99.200 -91.000 PHE 112 1.000 -63.924 -25.590 18.551 -99.200 -91.000 PHE 114 1.000 -67.311 -14.328 17.432 -99.200 -91.000 TYR 118 0.840 -71.298 -14.000 12.392 -99.200 -91.000 HIS 121 0.900 -69.831 -15.312 5.152 -99.200 -91.000 PHE 122 1.000 -64.283 -17.076 13.555 -99.200 -91.000 HIS 123 0.900 -63.921 -19.523 6.213 -99.200 -91.000 HIS 129 0.900 -48.721 -26.829 20.180 -99.200 -91.000 TYR 138 0.840 -45.293 -28.570 23.997 -99.200 -91.000 PHE 140 1.000 -57.566 -27.388 24.874 -99.200 -91.000 TYR 148 0.840 -65.415 -26.621 30.922 -99.200 -91.000 TYR 153 0.840 -57.576 -33.576 25.917 -99.200 -91.000 PHE 156 1.000 -62.566 -28.207 24.351 -99.200 -91.000 PHE 160 1.000 -58.778 -29.124 19.566 -99.200 -91.000 TRP 162 1.040 -64.928 -35.098 12.532 -99.200 -91.000 TRP6 162 1.020 -65.017 -36.138 10.407 -99.200 -91.000 HIS 177 0.900 -49.905 -24.069 12.623 -99.200 -91.000 PHE 181 1.000 -48.162 -31.092 0.830 -99.200 -91.000 TRP 211 1.040 -46.226 -31.665 13.158 -99.200 -91.000 TRP6 211 1.020 -45.082 -30.931 15.092 -99.200 -91.000 PHE 231 1.000 -42.028 -25.290 2.671 -99.200 -91.000 PHE 239 1.000 -48.470 -27.196 -3.364 -99.200 -91.000 TYR 247 0.840 -49.999 -14.862 -1.483 -99.200 -91.000 HIS 252 0.900 -45.335 -25.406 12.563 -99.200 -91.000 TYR 259 0.840 -44.779 -8.381 7.965 -99.200 -91.000 HIS 263 0.900 -39.502 -20.606 0.251 -99.200 -91.000 PHE 271 1.000 -46.454 -16.693 16.449 -99.200 -91.000 TYR 276 0.840 -44.893 -18.559 21.927 -99.200 -91.000 TYR 286 0.840 -55.347 -7.649 11.981 -99.200 -91.000 HIS 288 0.900 -57.656 -6.224 6.737 -99.200 -91.000 PHE 298 1.000 -47.733 -9.235 5.265 -99.200 -91.000 HIS 299 0.900 -54.007 -4.263 7.879 -99.200 -91.000 PHE 301 1.000 -52.315 -8.557 16.829 -99.200 -91.000 HIS 306 0.900 -51.349 -12.127 30.374 -99.200 -91.000 TYR 314 0.840 -54.830 -23.627 33.915 -99.200 -91.000