============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 1 1.000 -37.969 8.469 49.789 -99.200 -91.000 HIS 11 0.900 -53.696 4.899 41.607 -99.200 -91.000 TYR 17 0.840 -53.543 5.476 23.333 -99.200 -91.000 TRP 22 1.040 -54.937 3.646 27.418 -99.200 -91.000 TRP6 22 1.020 -52.616 3.375 27.724 -99.200 -91.000 TYR 37 0.840 -32.698 -4.116 46.650 -99.200 -91.000 PHE 43 1.000 -48.131 -2.772 35.878 -99.200 -91.000 PHE 64 1.000 -47.739 11.701 7.308 -99.200 -91.000 TRP 69 1.040 -49.126 15.637 15.259 -99.200 -91.000 TRP6 69 1.020 -49.703 17.246 16.886 -99.200 -91.000 HIS 91 0.900 -48.338 13.580 36.742 -99.200 -91.000 TYR 111 0.840 -35.817 12.444 42.501 -99.200 -91.000 HIS 118 0.900 -39.733 20.616 31.740 -99.200 -91.000 PHE 121 1.000 -41.414 14.657 25.530 -99.200 -91.000 TYR 123 0.840 -33.304 21.787 21.021 -99.200 -91.000 PHE 124 1.000 -35.898 17.547 19.655 -99.200 -91.000 TRP 161 1.040 -31.811 -3.759 28.454 -99.200 -91.000 TRP6 161 1.020 -29.861 -3.244 29.689 -99.200 -91.000 TYR 163 0.840 -29.455 6.006 31.252 -99.200 -91.000 TRP 170 1.040 -32.638 11.642 24.307 -99.200 -91.000 TRP6 170 1.020 -30.439 10.828 24.083 -99.200 -91.000 PHE 198 1.000 -47.165 6.007 23.798 -99.200 -91.000 PHE 206 1.000 -50.195 14.721 21.280 -99.200 -91.000 HIS 228 0.900 -46.860 -2.655 7.291 -99.200 -91.000 PHE 236 1.000 -32.176 -1.178 18.072 -99.200 -91.000 HIS 245 0.900 -33.172 -9.431 12.501 -99.200 -91.000 PHE 270 1.000 -3.036 13.209 26.530 -99.200 -91.000 PHE 275 1.000 -3.828 10.603 40.247 -99.200 -91.000 TYR 287 0.840 -16.621 1.247 38.032 -99.200 -91.000 PHE 288 1.000 -22.091 8.887 37.375 -99.200 -91.000 HIS 289 0.900 -28.776 2.088 34.759 -99.200 -91.000 PHE 310 1.000 -6.604 6.234 36.319 -99.200 -91.000 PHE 327 1.000 -37.460 3.103 44.854 -99.200 -91.000 HIS 341 0.900 -25.980 -6.531 30.552 -99.200 -91.000 TYR 348 0.840 -17.842 -9.940 26.905 -99.200 -91.000 PHE 376 1.000 -27.447 -5.007 44.097 -99.200 -91.000 PHE 377 1.000 -19.767 -9.001 37.810 -99.200 -91.000 PHE 397 1.000 -24.924 -0.922 27.740 -99.200 -91.000 PHE 406 1.000 -2.048 8.183 26.747 -99.200 -91.000 TYR 421 0.840 -19.074 -0.833 19.545 -99.200 -91.000 PHE 428 1.000 -11.395 13.776 32.364 -99.200 -91.000 TRP 448 1.040 -18.722 14.510 27.018 -99.200 -91.000 TRP6 448 1.020 -18.928 12.179 27.119 -99.200 -91.000 PHE 452 1.000 -16.745 9.260 30.125 -99.200 -91.000 HIS 453 0.900 -21.279 9.157 32.149 -99.200 -91.000 TYR 455 0.840 -27.165 12.130 28.141 -99.200 -91.000 PHE 456 1.000 -25.392 20.172 25.870 -99.200 -91.000 TRP 461 1.040 -25.694 10.273 22.103 -99.200 -91.000 TRP6 461 1.020 -23.936 10.739 23.614 -99.200 -91.000 TYR 464 0.840 -17.175 10.489 13.652 -99.200 -91.000 TYR 481 0.840 -38.036 11.309 14.417 -99.200 -91.000 HIS 486 0.900 -36.456 21.765 -6.749 -99.200 -91.000 TRP 498 1.040 -36.226 15.743 -28.089 -99.200 -91.000 TRP6 498 1.020 -34.077 16.463 -27.420 -99.200 -91.000 PHE 499 1.000 -39.876 13.209 -28.221 -99.200 -91.000