============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 2 1.000 36.189 34.540 53.882 -99.200 -91.000 PHE 19 1.000 5.261 -3.085 54.175 -99.200 -91.000 HIS 27 0.900 12.387 2.205 56.462 -99.200 -91.000 TRP 30 1.040 4.634 8.964 54.308 -99.200 -91.000 TRP6 30 1.020 2.621 7.999 53.529 -99.200 -91.000 PHE 31 1.000 13.223 9.742 51.566 -99.200 -91.000 PHE 99 1.000 12.875 6.294 64.156 -99.200 -91.000 HIS 106 0.900 18.778 14.518 64.285 -99.200 -91.000 PHE 116 1.000 32.606 23.376 58.164 -99.200 -91.000 PHE 119 1.000 35.328 29.210 55.716 -99.200 -91.000 TYR 134 0.840 44.919 14.092 61.402 -99.200 -91.000 TYR 146 0.840 21.416 -0.367 56.405 -99.200 -91.000 PHE 148 1.000 16.720 -1.624 55.719 -99.200 -91.000 TYR 160 0.840 4.817 0.786 51.277 -99.200 -91.000 TRP 170 1.040 18.279 -1.455 43.305 -99.200 -91.000 TRP6 170 1.020 18.110 -2.887 45.182 -99.200 -91.000 TYR 175 0.840 11.000 0.897 45.008 -99.200 -91.000 TYR 192 0.840 28.655 -7.680 42.053 -99.200 -91.000 TYR 195 0.840 22.974 0.847 43.356 -99.200 -91.000 PHE 197 1.000 26.125 -1.353 47.147 -99.200 -91.000 PHE 200 1.000 25.899 -7.142 48.793 -99.200 -91.000 HIS 220 0.900 30.234 -17.443 52.844 -99.200 -91.000 PHE 223 1.000 27.018 -11.142 45.162 -99.200 -91.000 TRP 236 1.040 18.415 -11.121 68.019 -99.200 -91.000 TRP6 236 1.020 20.189 -11.591 66.544 -99.200 -91.000 HIS 250 0.900 35.217 -18.440 62.353 -99.200 -91.000 TYR 254 0.840 30.120 -4.196 60.754 -99.200 -91.000 PHE 265 1.000 24.787 -7.098 84.217 -99.200 -91.000 PHE 274 1.000 28.126 -10.736 70.218 -99.200 -91.000 TYR 291 0.840 32.460 13.666 71.321 -99.200 -91.000 TYR 296 0.840 30.822 6.057 81.763 -99.200 -91.000 HIS 311 0.900 22.692 12.880 57.826 -99.200 -91.000 PHE 312 1.000 23.554 9.108 65.182 -99.200 -91.000 TRP 313 1.040 28.107 10.482 66.485 -99.200 -91.000 TRP6 313 1.020 29.426 10.763 68.427 -99.200 -91.000 TRP 328 1.040 42.614 6.569 71.655 -99.200 -91.000 TRP6 328 1.020 41.143 7.318 73.344 -99.200 -91.000 TRP 332 1.040 33.962 7.446 61.439 -99.200 -91.000 TRP6 332 1.020 33.146 7.565 59.227 -99.200 -91.000 HIS 335 0.900 22.081 4.923 61.641 -99.200 -91.000 HIS 339 0.900 21.004 8.995 52.025 -99.200 -91.000 PHE 340 1.000 14.597 13.487 48.620 -99.200 -91.000 HIS 349 0.900 32.568 16.792 50.140 -99.200 -91.000 HIS 364 0.900 18.788 3.610 55.143 -99.200 -91.000 TRP 365 1.040 21.589 7.073 45.759 -99.200 -91.000 TRP6 365 1.020 20.153 8.925 45.968 -99.200 -91.000 TRP 367 1.040 16.952 0.409 50.500 -99.200 -91.000 TRP6 367 1.020 15.972 -1.604 49.757 -99.200 -91.000 PHE 378 1.000 28.660 13.653 45.503 -99.200 -91.000 HIS 406 0.900 7.749 22.840 51.135 -99.200 -91.000 TYR 409 0.840 6.677 18.157 55.592 -99.200 -91.000 TYR 425 0.840 -2.232 -0.903 55.898 -99.200 -91.000 TRP 430 1.040 4.385 -4.850 65.233 -99.200 -91.000 TRP6 430 1.020 5.713 -2.892 65.382 -99.200 -91.000 PHE 432 1.000 10.420 -0.097 69.405 -99.200 -91.000 HIS 443 0.900 6.752 -7.208 69.069 -99.200 -91.000 HIS 444 0.900 6.017 -5.021 78.600 -99.200 -91.000 HIS 445 0.900 0.303 -7.075 75.408 -99.200 -91.000 HIS 446 0.900 5.971 1.297 77.512 -99.200 -91.000