============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 15 0.840 86.872 -43.944 -9.774 -99.200 -91.000 PHE 33 1.000 109.775 -19.502 1.410 -99.200 -91.000 TYR 54 0.840 115.747 -16.150 -12.162 -99.200 -91.000 TYR 70 0.840 107.551 -4.419 1.074 -99.200 -91.000 TYR 71 0.840 105.874 1.520 7.047 -99.200 -91.000 TYR 78 0.840 107.945 -4.697 15.173 -99.200 -91.000 TYR 91 0.840 103.950 -5.318 23.516 -99.200 -91.000 TYR 105 0.840 105.022 0.345 -0.510 -99.200 -91.000 TYR 114 0.840 100.745 -11.715 -5.641 -99.200 -91.000 PHE 116 1.000 107.291 -9.742 3.385 -99.200 -91.000 PHE 125 1.000 111.364 -26.068 11.058 -99.200 -91.000 TRP 159 1.040 97.666 -33.610 -6.982 -99.200 -91.000 TRP6 159 1.020 98.300 -33.493 -4.711 -99.200 -91.000 TYR 190 0.840 85.817 -26.644 6.548 -99.200 -91.000 TYR 195 0.840 89.999 -30.620 7.012 -99.200 -91.000 TYR 205 0.840 75.034 -29.325 -5.086 -99.200 -91.000 TYR 210 0.840 79.254 -39.598 0.744 -99.200 -91.000 HIS 224 0.900 113.453 -34.866 16.612 -99.200 -91.000 HIS 228 0.900 123.188 -22.799 18.998 -99.200 -91.000 PHE 254 1.000 68.029 -46.150 -15.541 -99.200 -91.000 TYR 265 0.840 57.383 -39.674 -23.277 -99.200 -91.000 PHE 266 1.000 59.061 -29.457 -20.905 -99.200 -91.000 TYR 277 0.840 51.497 -20.301 -20.814 -99.200 -91.000 TYR 282 0.840 62.621 -30.830 -12.611 -99.200 -91.000 HIS 301 0.900 59.503 -24.263 -21.247 -99.200 -91.000 PHE 320 1.000 58.562 -29.307 -9.409 -99.200 -91.000 TRP 335 1.040 42.889 -48.298 6.441 -99.200 -91.000 TRP6 335 1.020 44.188 -48.604 4.496 -99.200 -91.000 PHE 353 1.000 33.092 -30.487 3.186 -99.200 -91.000 TYR 360 0.840 30.784 -31.745 -8.896 -99.200 -91.000 TRP 362 1.040 38.950 -39.250 -13.276 -99.200 -91.000 TRP6 362 1.020 38.115 -40.200 -15.277 -99.200 -91.000 TYR 363 0.840 34.963 -40.403 -11.015 -99.200 -91.000 TYR 367 0.840 30.638 -43.698 -15.515 -99.200 -91.000 PHE 370 1.000 30.832 -44.241 -8.558 -99.200 -91.000 TYR 380 0.840 36.687 -46.964 -10.063 -99.200 -91.000 TYR 385 0.840 37.689 -44.549 0.346 -99.200 -91.000 TYR 398 0.840 29.181 -34.959 2.370 -99.200 -91.000 PHE 403 1.000 25.862 -23.500 7.951 -99.200 -91.000 PHE 420 1.000 49.381 -36.097 3.057 -99.200 -91.000 TYR 423 0.840 53.130 -43.674 3.040 -99.200 -91.000 TYR 445 0.840 46.814 -25.233 8.861 -99.200 -91.000 PHE 447 1.000 36.630 -27.746 6.074 -99.200 -91.000 PHE 450 1.000 41.893 -31.623 7.150 -99.200 -91.000 PHE 455 1.000 41.223 -32.321 -3.602 -99.200 -91.000 PHE 458 1.000 47.727 -25.348 1.850 -99.200 -91.000 TYR 461 0.840 54.160 -33.151 -0.389 -99.200 -91.000 TYR 469 0.840 53.173 -41.534 -1.852 -99.200 -91.000 HIS 483 0.900 72.477 -46.091 -0.634 -99.200 -91.000 TYR 489 0.840 84.060 -49.581 -4.113 -99.200 -91.000 HIS 523 0.900 52.065 -53.185 -1.692 -99.200 -91.000 PHE 526 1.000 49.861 -46.718 -5.440 -99.200 -91.000 TYR 527 0.840 47.650 -56.259 -10.632 -99.200 -91.000 HIS 531 0.900 48.382 -54.876 -14.042 -99.200 -91.000 PHE 542