============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 3 0.840 63.952 37.315 15.997 -99.200 -91.000 PHE 8 1.000 66.203 52.856 15.812 -99.200 -91.000 TYR 33 0.840 49.828 44.562 45.843 -99.200 -91.000 PHE 36 1.000 46.019 52.966 32.972 -99.200 -91.000 TYR 44 0.840 65.416 48.828 32.878 -99.200 -91.000 TRP 61 1.040 63.782 65.798 19.817 -99.200 -91.000 TRP6 61 1.020 62.811 67.337 21.357 -99.200 -91.000 TYR 71 0.840 43.945 81.160 16.763 -99.200 -91.000 PHE 77 1.000 47.066 73.088 7.480 -99.200 -91.000 TYR 78 0.840 49.275 76.585 4.567 -99.200 -91.000 HIS 79 0.900 57.114 69.421 6.480 -99.200 -91.000 PHE 88 1.000 48.233 58.520 5.743 -99.200 -91.000 PHE 90 1.000 42.450 59.502 2.664 -99.200 -91.000 HIS 92 0.900 39.622 68.853 0.281 -99.200 -91.000 HIS 97 0.900 43.290 66.652 21.427 -99.200 -91.000 TYR 116 0.840 21.660 49.373 11.723 -99.200 -91.000 TYR 122 0.840 34.525 47.502 20.392 -99.200 -91.000 PHE 123 1.000 40.971 52.628 21.151 -99.200 -91.000 TYR 128 0.840 31.207 58.208 24.350 -99.200 -91.000 HIS 129 0.900 34.212 60.890 20.093 -99.200 -91.000 PHE 137 1.000 31.036 48.012 16.061 -99.200 -91.000 HIS 146 0.900 34.912 38.322 17.431 -99.200 -91.000 PHE 154 1.000 47.650 40.004 5.160 -99.200 -91.000 TYR 177 0.840 31.576 56.352 9.698 -99.200 -91.000 HIS 207 0.900 25.225 47.790 -2.449 -99.200 -91.000 PHE 212 1.000 34.284 58.750 5.979 -99.200 -91.000 TYR 213 0.840 40.863 52.264 4.824 -99.200 -91.000 TYR 223 0.840 57.300 44.196 7.952 -99.200 -91.000 PHE 224 1.000 51.933 42.326 10.828 -99.200 -91.000 PHE 232 1.000 49.846 44.013 -2.422 -99.200 -91.000 HIS 242 0.900 48.971 57.466 -3.190 -99.200 -91.000 PHE 245 1.000 45.567 55.537 4.688 -99.200 -91.000 TYR 247 0.840 42.078 49.644 -2.884 -99.200 -91.000 PHE 266 1.000 46.988 62.696 9.633 -99.200 -91.000 PHE 275 1.000 39.162 71.071 3.565 -99.200 -91.000 TYR 285 0.840 33.236 69.660 19.700 -99.200 -91.000 TYR 291 0.840 45.146 76.321 16.590 -99.200 -91.000 TYR 312 0.840 61.574 46.219 4.250 -99.200 -91.000 TYR 314 0.840 59.823 52.999 11.994 -99.200 -91.000 HIS 317 0.900 64.250 47.594 15.334 -99.200 -91.000 TYR 324 0.840 64.404 38.780 20.837 -99.200 -91.000 HIS 343 0.900 49.252 47.218 19.000 -99.200 -91.000 PHE 346 1.000 47.034 42.748 23.072 -99.200 -91.000 PHE 352 1.000 52.306 33.735 33.129 -99.200 -91.000 HIS 355 0.900 47.493 30.135 40.014 -99.200 -91.000 PHE 361 1.000 39.281 41.538 40.493 -99.200 -91.000 TYR 371 0.840 57.132 48.450 39.074 -99.200 -91.000 HIS 395 0.900 33.781 42.268 38.779 -99.200 -91.000 HIS 396 0.900 30.087 45.761 31.549 -99.200 -91.000 TYR 412 0.840 61.260 50.754 26.253 -99.200 -91.000 TYR 414 0.840 66.124 42.843 18.295 -99.200 -91.000 HIS 416 0.900 65.972 48.747 27.054 -99.200 -91.000 TYR 428 0.840 54.160 29.087 31.511 -99.200 -91.000 HIS 430 0.900 59.593 28.513 39.980 -99.200 -91.000 PHE 439 1.000 37.665 46.008 42.127 -99.200 -91.000 TYR 441 0.840 38.894 54.328 45.244 -99.200 -91.000 PHE 448 1.000 40.625 52.322 32.391 -99.200 -91.000 PHE 449 1.000 43.706 57.725 35.314 -99.200 -91.000 PHE 453 1.000 42.681 45.959 41.716 -99.200 -91.000 TYR 455 0.840 49.602 40.140 45.869 -99.200 -91.000