============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 10.964 58.488 1.602 -99.200 -91.000 TYR 26 0.840 14.510 60.933 -9.358 -99.200 -91.000 TYR 31 0.840 9.967 44.205 3.360 -99.200 -91.000 PHE 41 1.000 20.985 51.031 1.626 -99.200 -91.000 TYR 54 0.840 12.187 48.893 9.898 -99.200 -91.000 PHE 59 1.000 8.576 48.934 -0.615 -99.200 -91.000 HIS 89 0.900 -0.493 45.106 1.698 -99.200 -91.000 TYR 103 0.840 13.347 31.629 -19.803 -99.200 -91.000 PHE 104 1.000 11.765 35.058 -23.340 -99.200 -91.000 HIS 120 0.900 0.394 50.283 -15.669 -99.200 -91.000 PHE 121 1.000 6.843 42.293 -13.245 -99.200 -91.000 HIS 148 0.900 10.525 53.373 -20.479 -99.200 -91.000 PHE 155 1.000 13.755 52.173 -15.366 -99.200 -91.000 TYR 170 0.840 8.601 50.305 -24.005 -99.200 -91.000 HIS 178 0.900 13.861 40.770 -16.340 -99.200 -91.000 TYR 179 0.840 15.003 37.154 -26.302 -99.200 -91.000 HIS 184 0.900 25.592 42.340 -21.171 -99.200 -91.000 TYR 189 0.840 28.415 32.897 -19.898 -99.200 -91.000 TYR 199 0.840 46.037 32.808 -21.765 -99.200 -91.000 PHE 200 1.000 45.462 26.770 -24.419 -99.200 -91.000 HIS 204 0.900 49.724 26.098 -25.044 -99.200 -91.000 HIS 214 0.900 50.370 45.104 -19.641 -99.200 -91.000 PHE 217 1.000 44.902 39.577 -24.887 -99.200 -91.000 TRP 220 1.040 46.104 42.718 -30.070 -99.200 -91.000 TRP6 220 1.020 45.456 40.468 -29.702 -99.200 -91.000 TYR 228 0.840 35.042 46.201 -17.623 -99.200 -91.000 PHE 237 1.000 47.252 37.474 -19.836 -99.200 -91.000 TRP 264 1.040 18.383 30.846 -18.416 -99.200 -91.000 TRP6 264 1.020 17.715 32.638 -17.003 -99.200 -91.000 PHE 284 1.000 27.358 22.597 -25.830 -99.200 -91.000 PHE 287 1.000 27.762 23.618 -19.759 -99.200 -91.000 PHE 310 1.000 54.563 30.414 -36.078 -99.200 -91.000 HIS 316 0.900 51.224 37.133 -41.374 -99.200 -91.000 PHE 317 1.000 49.959 32.630 -34.788 -99.200 -91.000 TYR 326 0.840 36.931 44.397 -35.036 -99.200 -91.000 TYR 333 0.840 29.101 41.809 -30.040 -99.200 -91.000 PHE 337 1.000 22.844 43.622 -31.809 -99.200 -91.000 TYR 347 0.840 8.997 35.259 -27.787 -99.200 -91.000 TRP 349 1.040 8.706 41.344 -27.292 -99.200 -91.000 TRP6 349 1.020 10.540 39.960 -26.730 -99.200 -91.000 TYR 353 0.840 16.485 44.445 -34.150 -99.200 -91.000 PHE 360 1.000 23.412 45.180 -25.473 -99.200 -91.000 PHE 370 1.000 31.915 44.769 -32.498 -99.200 -91.000 TYR 378 0.840 20.952 46.440 -36.429 -99.200 -91.000 TYR 392 0.840 33.393 48.777 -39.155 -99.200 -91.000 PHE 393 1.000 29.795 45.619 -37.915 -99.200 -91.000 TYR 400 0.840 40.579 42.790 -39.827 -99.200 -91.000 TYR 427 0.840 26.890 32.847 -38.778 -99.200 -91.000 TYR 428 0.840 32.612 35.237 -44.286 -99.200 -91.000 TYR 431 0.840 24.067 35.040 -43.412 -99.200 -91.000 TYR 447 0.840 16.704 5.374 -48.898 -99.200 -91.000 PHE 448 1.000 15.884 9.063 -41.750 -99.200 -91.000 HIS 451 0.900 10.405 12.972 -41.340 -99.200 -91.000 TYR 453 0.840 12.128 15.446 -52.629 -99.200 -91.000 PHE 462 1.000 7.791 18.024 -56.440 -99.200 -91.000 HIS 463 0.900 7.448 9.812 -50.072 -99.200 -91.000 TRP 466 1.040 13.747 8.528 -51.342 -99.200 -91.000 TRP6 466 1.020 15.466 9.623 -52.537 -99.200 -91.000