============================================================================= 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. HIS 10 0.900 15.998 -13.761 34.171 -99.200 -91.000 TYR 31 0.840 30.900 -14.710 38.467 -99.200 -91.000 TYR 36 0.840 27.705 -18.273 33.490 -99.200 -91.000 TYR 37 0.840 25.742 -17.121 25.681 -99.200 -91.000 PHE 38 1.000 21.157 -14.546 31.934 -99.200 -91.000 TRP 40 1.040 14.478 -11.242 29.088 -99.200 -91.000 TRP6 40 1.020 16.806 -10.935 29.284 -99.200 -91.000 TYR 42 0.840 7.530 -12.681 20.242 -99.200 -91.000 PHE 57 1.000 19.559 -9.036 19.052 -99.200 -91.000 PHE 66 1.000 33.570 -6.731 16.312 -99.200 -91.000 TYR 89 0.840 48.955 4.929 5.059 -99.200 -91.000 TRP 90 1.040 42.126 9.397 -0.684 -99.200 -91.000 TRP6 90 1.020 40.082 9.907 0.395 -99.200 -91.000 TRP 98 1.040 41.934 16.837 4.416 -99.200 -91.000 TRP6 98 1.020 41.188 15.181 5.934 -99.200 -91.000 HIS 105 0.900 45.635 14.685 14.750 -99.200 -91.000 TYR 109 0.840 35.631 8.880 17.572 -99.200 -91.000 PHE 131 1.000 32.266 14.779 4.061 -99.200 -91.000 TYR 132 0.840 36.353 12.313 4.345 -99.200 -91.000 TRP 135 1.040 35.896 18.854 7.822 -99.200 -91.000 TRP6 135 1.020 38.132 18.503 8.538 -99.200 -91.000 TRP 139 1.040 36.933 23.415 17.391 -99.200 -91.000 TRP6 139 1.020 35.336 21.704 17.112 -99.200 -91.000 TYR 147 0.840 30.550 8.397 18.321 -99.200 -91.000 PHE 155 1.000 42.569 3.966 12.259 -99.200 -91.000 PHE 167 1.000 36.692 -2.036 7.683 -99.200 -91.000 PHE 176 1.000 34.086 -9.910 11.591 -99.200 -91.000 HIS 183 0.900 27.300 -18.775 13.450 -99.200 -91.000 TRP 185 1.040 27.060 -13.188 9.346 -99.200 -91.000 TRP6 185 1.020 28.237 -14.799 8.078 -99.200 -91.000 TYR 196 0.840 19.693 -8.240 9.559 -99.200 -91.000 TRP 198 1.040 12.410 -7.954 9.959 -99.200 -91.000 TRP6 198 1.020 13.013 -6.493 8.183 -99.200 -91.000 TYR 200 0.840 10.218 -4.824 15.306 -99.200 -91.000 HIS 207 0.900 16.766 -5.952 8.704 -99.200 -91.000 TYR 218 0.840 26.657 3.240 9.448 -99.200 -91.000 TRP 230 1.040 34.379 -7.338 20.102 -99.200 -91.000 TRP6 230 1.020 36.397 -7.501 18.894 -99.200 -91.000 TYR 256 0.840 45.808 5.661 21.291 -99.200 -91.000 TRP 257 1.040 43.399 11.994 21.577 -99.200 -91.000 TRP6 257 1.020 44.688 13.949 21.191 -99.200 -91.000 TYR 263 0.840 41.794 8.263 31.006 -99.200 -91.000 TRP 268 1.040 37.437 -1.807 22.686 -99.200 -91.000 TRP6 268 1.020 35.311 -2.664 23.275 -99.200 -91.000 TRP 273 1.040 36.766 -1.435 38.871 -99.200 -91.000 TRP6 273 1.020 34.417 -1.280 38.715 -99.200 -91.000 TRP 309 1.040 32.548 0.915 32.325 -99.200 -91.000 TRP6 309 1.020 31.002 -0.375 33.546 -99.200 -91.000 HIS 311 0.900 31.664 3.291 28.308 -99.200 -91.000 PHE 319 1.000 18.540 -4.430 15.124 -99.200 -91.000 TYR 322 0.840 27.207 -0.036 27.868 -99.200 -91.000 PHE 325 1.000 36.262 -4.964 27.626 -99.200 -91.000 TYR 341 0.840 17.782 0.152 25.581 -99.200 -91.000 TRP 351 1.040 26.515 0.910 38.753 -99.200 -91.000 TRP6 351 1.020 28.831 0.878 39.203 -99.200 -91.000