============================================================================= 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 11.013 104.384 2.086 -99.200 -91.000 PHE 8 1.000 4.765 89.647 1.911 -99.200 -91.000 TYR 33 0.840 27.389 91.442 30.149 -99.200 -91.000 PHE 36 1.000 25.737 84.644 16.886 -99.200 -91.000 TYR 44 0.840 8.841 94.048 20.286 -99.200 -91.000 TRP 61 1.040 4.239 76.776 5.835 -99.200 -91.000 TRP6 61 1.020 4.773 75.065 7.388 -99.200 -91.000 TYR 71 0.840 18.855 57.023 2.590 -99.200 -91.000 PHE 77 1.000 18.209 64.914 -6.463 -99.200 -91.000 TYR 78 0.840 13.856 62.121 -9.579 -99.200 -91.000 HIS 79 0.900 9.673 71.678 -7.694 -99.200 -91.000 PHE 88 1.000 21.000 79.588 -8.326 -99.200 -91.000 PHE 90 1.000 26.317 77.166 -11.304 -99.200 -91.000 HIS 92 0.900 26.852 67.267 -13.330 -99.200 -91.000 HIS 97 0.900 23.645 70.719 7.563 -99.200 -91.000 TYR 116 0.840 48.918 82.055 -1.954 -99.200 -91.000 TYR 122 0.840 35.907 87.623 7.553 -99.200 -91.000 PHE 123 1.000 29.654 84.439 6.507 -99.200 -91.000 TYR 128 0.840 37.625 76.344 11.004 -99.200 -91.000 HIS 129 0.900 33.999 74.138 6.483 -99.200 -91.000 PHE 137 1.000 39.684 85.677 2.013 -99.200 -91.000 HIS 146 0.900 38.147 95.584 3.534 -99.200 -91.000 PHE 154 1.000 26.078 97.488 -9.062 -99.200 -91.000 TYR 177 0.840 37.643 77.695 -4.197 -99.200 -91.000 HIS 207 0.900 46.381 84.506 -16.303 -99.200 -91.000 PHE 212 1.000 34.390 75.953 -8.024 -99.200 -91.000 TYR 213 0.840 29.593 83.926 -9.508 -99.200 -91.000 TYR 223 0.840 15.667 95.891 -6.243 -99.200 -91.000 PHE 224 1.000 21.268 96.373 -3.521 -99.200 -91.000 PHE 232 1.000 22.866 93.900 -16.706 -99.200 -91.000 HIS 242 0.900 20.374 80.720 -17.122 -99.200 -91.000 PHE 245 1.000 24.236 81.938 -9.405 -99.200 -91.000 TYR 247 0.840 29.082 86.623 -17.130 -99.200 -91.000 PHE 266 1.000 21.190 75.249 -4.387 -99.200 -91.000 PHE 275 1.000 26.690 65.133 -10.021 -99.200 -91.000 TYR 285 0.840 32.578 65.355 6.004 -99.200 -91.000 TYR 291 0.840 19.411 61.710 2.562 -99.200 -91.000 TYR 312 0.840 10.869 94.918 -9.822 -99.200 -91.000 TYR 314 0.840 11.048 87.976 -2.062 -99.200 -91.000 HIS 317 0.900 8.156 94.351 1.294 -99.200 -91.000 TYR 324 0.840 10.324 103.005 6.725 -99.200 -91.000 HIS 343 0.900 22.679 90.923 4.625 -99.200 -91.000 PHE 346 1.000 25.892 94.532 7.837 -99.200 -91.000 PHE 352 1.000 24.922 103.838 18.280 -99.200 -91.000 HIS 355 0.900 32.264 104.988 24.242 -99.200 -91.000 PHE 361 1.000 36.908 92.015 22.208 -99.200 -91.000 TYR 371 0.840 17.858 91.110 25.098 -99.200 -91.000 HIS 395 0.900 41.522 89.919 19.274 -99.200 -91.000 HIS 396 0.900 42.430 87.380 10.463 -99.200 -91.000 TYR 412 0.840 10.479 90.720 12.340 -99.200 -91.000 TYR 414 0.840 7.740 99.558 4.449 -99.200 -91.000 HIS 416 0.900 6.504 93.995 13.192 -99.200 -91.000 TYR 428 0.840 24.029 108.777 17.387 -99.200 -91.000 HIS 430 0.900 21.318 105.862 26.626 -99.200 -91.000 PHE 439 1.000 37.074 87.067 22.947 -99.200 -91.000 TYR 441 0.840 33.981 79.174 25.623 -99.200 -91.000 PHE 448 1.000 30.841 83.954 14.155 -99.200 -91.000 PHE 449 1.000 28.385 80.644 14.413 -99.200 -91.000 PHE 453 1.000 32.520 88.630 23.919 -99.200 -91.000 TYR 455 0.840 29.011 95.450 30.158 -99.200 -91.000