============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 -8.211 33.291 44.166 -99.200 -91.000 PHE 24 1.000 -1.635 32.090 35.602 -99.200 -91.000 PHE 29 1.000 1.084 28.297 43.437 -99.200 -91.000 PHE 46 1.000 -1.565 30.127 52.887 -99.200 -91.000 TYR 59 0.840 0.566 38.306 34.525 -99.200 -91.000 TRP 71 1.040 0.196 38.953 21.080 -99.200 -91.000 TRP6 71 1.020 0.135 40.255 19.106 -99.200 -91.000 HIS 93 0.900 -7.157 22.208 7.535 -99.200 -91.000 TYR 95 0.840 -8.363 29.738 16.314 -99.200 -91.000 TYR 96 0.840 -11.984 23.293 18.028 -99.200 -91.000 PHE 99 1.000 -5.055 30.381 26.439 -99.200 -91.000 TYR 101 0.840 -1.705 26.000 34.994 -99.200 -91.000 HIS 103 0.900 -13.017 29.721 32.723 -99.200 -91.000 PHE 124 1.000 1.267 23.355 16.576 -99.200 -91.000 TYR 127 0.840 4.127 25.531 27.139 -99.200 -91.000 TYR 130 0.840 7.438 16.816 26.700 -99.200 -91.000 TYR 143 0.840 -4.986 8.958 31.016 -99.200 -91.000 TYR 145 0.840 -13.068 16.008 28.778 -99.200 -91.000 TYR 146 0.840 -11.212 12.186 25.238 -99.200 -91.000 TRP 157 1.040 -8.041 13.325 20.941 -99.200 -91.000 TRP6 157 1.020 -7.482 15.583 21.376 -99.200 -91.000 TRP 163 1.040 6.576 23.376 18.088 -99.200 -91.000 TRP6 163 1.020 6.570 25.691 17.624 -99.200 -91.000 HIS 166 0.900 8.969 24.498 11.387 -99.200 -91.000 HIS 167 0.900 11.721 25.182 7.686 -99.200 -91.000 PHE 173 1.000 12.959 32.150 18.935 -99.200 -91.000 HIS 176 0.900 10.461 38.798 16.254 -99.200 -91.000 HIS 183 0.900 15.111 48.876 17.351 -99.200 -91.000 PHE 184 1.000 21.687 46.829 21.869 -99.200 -91.000 PHE 196 1.000 20.242 33.083 22.039 -99.200 -91.000 HIS 199 0.900 9.407 31.714 31.664 -99.200 -91.000 TYR 212 0.840 12.535 24.455 29.457 -99.200 -91.000 TYR 229 0.840 28.248 30.060 15.244 -99.200 -91.000 TYR 233 0.840 25.953 31.372 21.844 -99.200 -91.000 TRP 237 1.040 19.141 28.204 32.438 -99.200 -91.000 TRP6 237 1.020 17.910 26.951 30.855 -99.200 -91.000 TRP 246 1.040 13.807 27.054 41.286 -99.200 -91.000 TRP6 246 1.020 12.069 27.228 39.692 -99.200 -91.000 PHE 273 1.000 4.893 31.567 27.660 -99.200 -91.000 HIS 277 0.900 8.077 35.855 28.773 -99.200 -91.000 TYR 282 0.840 19.838 43.927 37.740 -99.200 -91.000 TYR 288 0.840 17.461 45.298 43.442 -99.200 -91.000 PHE 313 1.000 5.087 31.526 16.238 -99.200 -91.000 HIS 322 0.900 1.276 20.620 3.993 -99.200 -91.000 HIS 324 0.900 1.003 15.455 13.680 -99.200 -91.000 PHE 353 1.000 -5.956 9.746 24.657 -99.200 -91.000 PHE 354 1.000 -1.869 12.506 22.896 -99.200 -91.000