============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 32.419 -2.549 46.628 -99.200 -91.000 TYR 12 0.840 22.595 -5.319 20.367 -99.200 -91.000 TRP 37 1.040 10.064 -2.444 27.894 -99.200 -91.000 TRP6 37 1.020 7.983 -1.383 27.588 -99.200 -91.000 PHE 47 1.000 8.044 -5.337 23.791 -99.200 -91.000 TRP 59 1.040 12.546 8.096 27.800 -99.200 -91.000 TRP6 59 1.020 12.599 6.427 29.462 -99.200 -91.000 PHE 60 1.000 8.969 9.304 30.929 -99.200 -91.000 PHE 71 1.000 2.140 12.580 9.234 -99.200 -91.000 TRP 73 1.040 -0.329 5.011 3.013 -99.200 -91.000 TRP6 73 1.020 1.898 5.573 2.400 -99.200 -91.000 TYR 84 0.840 4.344 3.569 30.443 -99.200 -91.000 TYR 93 0.840 20.980 14.993 20.465 -99.200 -91.000 TYR 99 0.840 13.480 8.265 15.372 -99.200 -91.000 TYR 122 0.840 33.951 1.322 6.039 -99.200 -91.000 PHE 123 1.000 37.027 -4.194 12.770 -99.200 -91.000 TYR 136 0.840 36.219 -9.524 9.981 -99.200 -91.000 TYR 139 0.840 37.772 -11.435 20.312 -99.200 -91.000 PHE 140 1.000 33.009 -8.807 13.394 -99.200 -91.000 HIS 151 0.900 22.276 -17.203 8.258 -99.200 -91.000 TRP 156 1.040 7.873 -19.004 4.437 -99.200 -91.000 TRP6 156 1.020 8.385 -16.947 5.431 -99.200 -91.000 PHE 157 1.000 13.043 -13.300 -0.037 -99.200 -91.000 TRP 162 1.040 2.921 -12.974 5.433 -99.200 -91.000 TRP6 162 1.020 1.826 -11.201 6.546 -99.200 -91.000 TYR 163 0.840 10.261 -11.429 4.240 -99.200 -91.000 PHE 165 1.000 9.248 -6.209 2.308 -99.200 -91.000 PHE 182 1.000 17.892 -14.516 0.531 -99.200 -91.000 TYR 187 0.840 10.498 -12.344 14.218 -99.200 -91.000 PHE 189 1.000 14.700 -14.615 9.001 -99.200 -91.000 TYR 191 0.840 6.896 -17.355 16.728 -99.200 -91.000 TYR 211 0.840 5.737 2.109 18.018 -99.200 -91.000 HIS 215 0.900 3.990 -13.766 20.662 -99.200 -91.000 TYR 224 0.840 26.032 -11.617 24.103 -99.200 -91.000 HIS 240 0.900 17.195 1.890 40.350 -99.200 -91.000 TYR 253 0.840 36.041 5.213 38.266 -99.200 -91.000 TYR 276 0.840 37.334 -4.324 38.726 -99.200 -91.000 PHE 278 1.000 33.496 -3.276 32.807 -99.200 -91.000 TRP 310 1.040 26.803 10.664 16.991 -99.200 -91.000 TRP6 310 1.020 25.299 11.425 15.330 -99.200 -91.000 HIS 323 0.900 7.241 1.043 -13.825 -99.200 -91.000 TRP 325 1.040 4.456 -2.825 -14.687 -99.200 -91.000 TRP6 325 1.020 3.865 -0.749 -15.700 -99.200 -91.000 HIS 331 0.900 -2.007 -9.185 3.876 -99.200 -91.000 TRP 343 1.040 30.820 -0.232 2.065 -99.200 -91.000 TRP6 343 1.020 29.888 1.570 3.236 -99.200 -91.000 PHE 351 1.000 24.606 -4.059 3.627 -99.200 -91.000 TRP 364 1.040 0.848 -0.034 -6.872 -99.200 -91.000 TRP6 364 1.020 -1.307 0.487 -6.133 -99.200 -91.000 TYR 368 0.840 14.519 1.064 -2.002 -99.200 -91.000 PHE 380 1.000 26.682 13.265 21.123 -99.200 -91.000 TYR 382 0.840 27.485 19.665 30.940 -99.200 -91.000 TRP 393 1.040 24.391 15.920 11.657 -99.200 -91.000 TRP6 393 1.020 26.239 14.717 10.819 -99.200 -91.000 PHE 409 1.000 18.020 3.412 -3.232 -99.200 -91.000 TYR 420 0.840 14.708 9.251 -5.945 -99.200 -91.000 TYR 422 0.840 10.507 13.934 -5.490 -99.200 -91.000 PHE 425 1.000 11.140 10.125 4.063 -99.200 -91.000 PHE 432 1.000 17.374 10.874 -2.015 -99.200 -91.000 PHE 436 1.000 16.714 8.076 9.198 -99.200 -91.000 TYR 438 0.840 15.357 4.241 12.337 -99.200 -91.000 HIS 439 0.900 21.797 1.657 11.521 -99.200 -91.000 TYR 453 0.840 42.579 -4.406 23.747 -99.200 -91.000 TYR 459 0.840 39.452 9.747 35.213 -99.200 -91.000 TYR 463 0.840 37.518 -1.116 32.404 -99.200 -91.000 PHE 479 1.000 21.866 -6.745 16.042 -99.200 -91.000