============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 2.362 5.212 -6.982 -99.200 -91.000 PHE 6 1.000 0.754 5.971 -0.041 -99.200 -91.000 PHE 11 1.000 -0.866 13.766 -6.803 -99.200 -91.000 PHE 25 1.000 6.404 2.226 -7.406 -99.200 -91.000 PHE 31 1.000 19.915 -15.209 -8.911 -99.200 -91.000 TYR 43 0.840 21.287 -17.770 -3.078 -99.200 -91.000 PHE 49 1.000 6.685 0.025 -2.777 -99.200 -91.000 PHE 64 1.000 7.252 8.344 6.955 -99.200 -91.000 PHE 76 1.000 -0.695 16.228 3.526 -99.200 -91.000 TYR 89 0.840 10.616 27.779 -6.697 -99.200 -91.000 PHE 90 1.000 7.368 19.252 -4.680 -99.200 -91.000 PHE 91 1.000 10.552 19.720 -14.854 -99.200 -91.000 TYR 97 0.840 9.757 13.792 -19.077 -99.200 -91.000 TYR 103 0.840 11.348 -4.512 -18.851 -99.200 -91.000 PHE 107 1.000 20.482 -9.704 -18.356 -99.200 -91.000 HIS 123 0.900 35.902 -21.890 -12.293 -99.200 -91.000 TYR 140 0.840 23.648 -13.314 -13.945 -99.200 -91.000 PHE 165 1.000 29.653 -6.765 -13.299 -99.200 -91.000 PHE 167 1.000 35.340 -8.847 -11.940 -99.200 -91.000 TRP 182 1.040 36.722 -8.159 -20.819 -99.200 -91.000 TRP6 182 1.020 38.290 -6.540 -21.510 -99.200 -91.000 TYR 183 0.840 33.894 -3.900 -16.748 -99.200 -91.000 TYR 219 0.840 59.026 6.006 -18.518 -99.200 -91.000 PHE 235 1.000 35.564 16.316 -16.421 -99.200 -91.000 TYR 271 0.840 19.453 3.738 -25.049 -99.200 -91.000 HIS 272 0.900 26.556 2.709 -25.356 -99.200 -91.000 PHE 281 1.000 11.602 9.458 -14.980 -99.200 -91.000 PHE 292 1.000 29.654 18.161 -28.156 -99.200 -91.000 PHE 302 1.000 31.027 24.525 -14.011 -99.200 -91.000 HIS 304 0.900 23.563 24.200 -13.354 -99.200 -91.000 PHE 321 1.000 20.227 11.261 -12.345 -99.200 -91.000 PHE 339 1.000 45.854 -0.799 -26.960 -99.200 -91.000 HIS 359 0.900 37.319 5.676 -0.315 -99.200 -91.000 PHE 369 1.000 46.302 10.862 -11.991 -99.200 -91.000 PHE 372 1.000 49.431 0.831 -4.712 -99.200 -91.000 TYR 376 0.840 50.526 -5.389 -20.670 -99.200 -91.000 TRP 377 1.040 59.423 -0.593 -22.590 -99.200 -91.000 TRP6 377 1.020 59.407 1.687 -21.976 -99.200 -91.000 HIS 385 0.900 59.352 -5.316 -20.313 -99.200 -91.000 PHE 396 1.000 40.281 13.221 -15.428 -99.200 -91.000 HIS 415 0.900 27.283 5.401 -12.419 -99.200 -91.000