============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 3 1.000 42.241 14.030 -24.424 -99.200 -91.000 PHE 6 1.000 36.855 13.054 -28.369 -99.200 -91.000 TYR 14 0.840 32.736 13.088 -40.242 -99.200 -91.000 TYR 17 0.840 26.823 12.161 -39.250 -99.200 -91.000 PHE 20 1.000 23.676 6.709 -36.917 -99.200 -91.000 PHE 29 1.000 24.749 12.821 -30.118 -99.200 -91.000 TYR 40 0.840 21.619 2.446 -17.035 -99.200 -91.000 HIS 47 0.900 28.256 14.080 -22.735 -99.200 -91.000 TRP 49 1.040 31.407 4.173 -27.571 -99.200 -91.000 TRP6 49 1.020 31.222 5.084 -29.748 -99.200 -91.000 TYR 53 0.840 34.531 12.056 -16.450 -99.200 -91.000 PHE 55 1.000 33.643 16.237 -19.942 -99.200 -91.000 HIS 78 0.900 38.729 18.357 -16.967 -99.200 -91.000 PHE 86 1.000 39.627 14.408 -33.575 -99.200 -91.000 TRP 96 1.040 32.848 26.612 -31.261 -99.200 -91.000 TRP6 96 1.020 30.868 27.001 -32.489 -99.200 -91.000 PHE 108 1.000 23.201 27.055 -26.313 -99.200 -91.000 TYR 130 0.840 20.324 14.584 -20.681 -99.200 -91.000 PHE 134 1.000 24.032 23.492 -22.366 -99.200 -91.000 TRP 137 1.040 19.272 23.055 -27.071 -99.200 -91.000 TRP6 137 1.020 20.603 23.778 -28.893 -99.200 -91.000 TRP 141 1.040 16.368 21.862 -31.373 -99.200 -91.000 TRP6 141 1.020 17.700 21.847 -33.338 -99.200 -91.000 PHE 150 1.000 17.887 23.057 -38.627 -99.200 -91.000 TRP 163 1.040 26.090 2.491 -28.100 -99.200 -91.000 TRP6 163 1.020 25.615 4.819 -27.978 -99.200 -91.000 PHE 173 1.000 37.542 -0.552 -19.154 -99.200 -91.000 PHE 184 1.000 29.108 -5.585 -4.134 -99.200 -91.000 PHE 218 1.000 32.407 -6.383 0.219 -99.200 -91.000 TYR 234 0.840 42.041 2.010 -20.443 -99.200 -91.000 PHE 236 1.000 39.170 -1.914 -8.509 -99.200 -91.000 PHE 238 1.000 38.142 3.308 -3.636 -99.200 -91.000 TRP 243 1.040 24.873 -1.356 -6.010 -99.200 -91.000 TRP6 243 1.020 25.065 -3.693 -6.170 -99.200 -91.000 TYR 245 0.840 19.725 -4.952 -11.486 -99.200 -91.000 PHE 255 1.000 8.857 -16.459 -5.901 -99.200 -91.000 TYR 269 0.840 7.681 -18.901 3.216 -99.200 -91.000 TYR 282 0.840 36.051 -0.898 -13.024 -99.200 -91.000 TYR 285 0.840 32.012 -0.313 -21.149 -99.200 -91.000 PHE 293 1.000 21.240 -18.225 -3.894 -99.200 -91.000 TYR 304 0.840 18.885 -24.313 -10.310 -99.200 -91.000 PHE 306 1.000 13.705 -27.601 -19.521 -99.200 -91.000 TYR 329 0.840 10.847 -15.822 -26.550 -99.200 -91.000 TYR 335 0.840 16.236 -27.602 -25.350 -99.200 -91.000 PHE 347 1.000 11.688 -19.259 -21.469 -99.200 -91.000 PHE 359 1.000 19.645 -4.243 -16.413 -99.200 -91.000 PHE 364 1.000 20.964 -7.180 -30.460 -99.200 -91.000 TYR 372 0.840 14.354 -3.724 -34.358 -99.200 -91.000 PHE 381 1.000 23.659 -10.759 -27.120 -99.200 -91.000 PHE 385 1.000 17.128 -19.161 -19.236 -99.200 -91.000 PHE 387 1.000 10.806 -22.503 -17.667 -99.200 -91.000 TYR 399 0.840 7.946 -24.413 -8.211 -99.200 -91.000 PHE 419 1.000 27.726 -19.212 -19.354 -99.200 -91.000 TYR 423 0.840 27.439 -17.366 -6.108 -99.200 -91.000 PHE 432 1.000 22.466 -22.604 0.696 -99.200 -91.000 TYR 433 0.840 18.876 -29.672 1.344 -99.200 -91.000 PHE 434 1.000 18.691 -23.102 6.641 -99.200 -91.000