============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 6 0.840 34.436 40.145 24.061 -99.200 -91.000 HIS 18 0.900 31.275 56.793 10.549 -99.200 -91.000 PHE 31 1.000 38.685 71.889 16.831 -99.200 -91.000 TYR 33 0.840 46.614 77.672 18.955 -99.200 -91.000 PHE 40 1.000 39.339 72.189 12.241 -99.200 -91.000 TYR 53 0.840 28.799 74.266 12.798 -99.200 -91.000 PHE 58 1.000 38.697 68.091 7.112 -99.200 -91.000 PHE 70 1.000 52.212 55.759 16.118 -99.200 -91.000 HIS 73 0.900 61.805 54.917 15.790 -99.200 -91.000 PHE 90 1.000 50.404 46.047 29.527 -99.200 -91.000 TYR 93 0.840 49.979 62.557 31.268 -99.200 -91.000 PHE 97 1.000 46.527 65.441 46.455 -99.200 -91.000 TYR 99 0.840 45.193 59.041 47.560 -99.200 -91.000 TYR 113 0.840 58.763 62.506 35.583 -99.200 -91.000 PHE 116 1.000 55.109 56.491 41.091 -99.200 -91.000 HIS 126 0.900 55.220 46.526 27.089 -99.200 -91.000 HIS 143 0.900 58.684 72.772 30.204 -99.200 -91.000 TYR 147 0.840 69.156 65.617 32.924 -99.200 -91.000 PHE 157 1.000 62.125 60.778 26.581 -99.200 -91.000 PHE 177 1.000 65.887 58.851 19.571 -99.200 -91.000 TYR 201 0.840 39.973 68.728 20.630 -99.200 -91.000 TYR 210 0.840 54.367 67.234 21.243 -99.200 -91.000 TYR 261 0.840 38.815 56.563 19.026 -99.200 -91.000 PHE 284 1.000 31.305 54.849 28.249 -99.200 -91.000 PHE 294 1.000 33.882 51.859 11.230 -99.200 -91.000 TYR 295 0.840 36.211 55.824 13.241 -99.200 -91.000 TYR 317 0.840 35.869 44.914 43.472 -99.200 -91.000 PHE 330 1.000 50.551 54.889 24.369 -99.200 -91.000 HIS 333 0.900 46.175 57.353 33.186 -99.200 -91.000 TYR 340 0.840 37.616 59.998 41.820 -99.200 -91.000 PHE 341 1.000 42.200 58.350 35.071 -99.200 -91.000 TYR 344 0.840 56.492 55.469 45.406 -99.200 -91.000 PHE 347 1.000 55.106 51.059 38.611 -99.200 -91.000 HIS 357 0.900 51.580 32.737 30.974 -99.200 -91.000 TYR 358 0.840 42.743 35.164 28.957 -99.200 -91.000 TYR 361 0.840 44.622 26.773 25.821 -99.200 -91.000 PHE 363 1.000 46.284 24.471 20.299 -99.200 -91.000 PHE 369 1.000 48.544 9.894 23.062 -99.200 -91.000 HIS 380 0.900 53.686 11.518 40.806 -99.200 -91.000 PHE 381 1.000 50.420 13.813 33.912 -99.200 -91.000 HIS 386 0.900 55.399 17.761 29.017 -99.200 -91.000 HIS 391 0.900 54.873 24.310 36.310 -99.200 -91.000 PHE 395 1.000 51.885 25.397 33.244 -99.200 -91.000 TYR 396 0.840 52.540 35.948 35.716 -99.200 -91.000 TYR 406 0.840 45.149 29.830 58.233 -99.200 -91.000 TRP 409 1.040 48.589 34.810 54.461 -99.200 -91.000 TRP6 409 1.020 46.819 34.976 56.005 -99.200 -91.000 HIS 421 0.900 56.113 49.732 52.336 -99.200 -91.000 TRP 424 1.040 57.002 50.523 47.354 -99.200 -91.000 TRP6 424 1.020 58.455 52.200 48.208 -99.200 -91.000 TYR 431 0.840 66.327 51.242 36.861 -99.200 -91.000 PHE 447 1.000 66.538 73.186 25.063 -99.200 -91.000