============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 8 0.840 -6.400 -3.550 -74.026 -99.200 -91.000 HIS 12 0.900 -15.723 -0.186 -66.898 -99.200 -91.000 PHE 14 1.000 -12.066 3.571 -56.456 -99.200 -91.000 TYR 19 0.840 -14.681 13.596 -60.010 -99.200 -91.000 PHE 30 1.000 4.530 8.956 -58.142 -99.200 -91.000 PHE 34 1.000 -6.944 9.699 -63.748 -99.200 -91.000 TYR 61 0.840 10.866 10.501 -61.795 -99.200 -91.000 TYR 68 0.840 16.577 16.100 -66.043 -99.200 -91.000 PHE 78 1.000 -1.698 21.837 -60.247 -99.200 -91.000 PHE 143 1.000 -2.915 5.392 -71.817 -99.200 -91.000 PHE 153 1.000 -11.486 11.743 -70.833 -99.200 -91.000 HIS 156 0.900 -19.413 5.369 -63.039 -99.200 -91.000 HIS 157 0.900 -17.077 11.052 -58.189 -99.200 -91.000 PHE 160 1.000 -22.031 4.502 -54.641 -99.200 -91.000 HIS 165 0.900 -18.926 12.146 -53.914 -99.200 -91.000 PHE 166 1.000 -17.334 3.956 -54.460 -99.200 -91.000 PHE 171 1.000 -8.364 6.702 -69.424 -99.200 -91.000 TRP 176 1.040 -23.556 2.700 -74.813 -99.200 -91.000 TRP6 176 1.020 -23.344 5.054 -74.882 -99.200 -91.000 TYR 178 0.840 -21.446 2.103 -64.554 -99.200 -91.000 PHE 183 1.000 -23.965 9.945 -73.641 -99.200 -91.000 TYR 185 0.840 -23.429 11.708 -78.775 -99.200 -91.000 TRP 194 1.040 -11.930 17.481 -72.493 -99.200 -91.000 TRP6 194 1.020 -12.174 16.298 -74.528 -99.200 -91.000 PHE 196 1.000 -20.714 21.897 -72.181 -99.200 -91.000 TYR 230 0.840 -23.791 35.256 -67.484 -99.200 -91.000 PHE 264 1.000 -25.697 24.683 -65.460 -99.200 -91.000 PHE 271 1.000 -28.360 17.231 -70.097 -99.200 -91.000 TYR 277 0.840 -29.782 15.241 -56.278 -99.200 -91.000 TYR 278 0.840 -30.090 24.306 -56.343 -99.200 -91.000 TYR 287 0.840 -21.552 24.821 -48.123 -99.200 -91.000 PHE 290 1.000 -25.711 26.599 -58.927 -99.200 -91.000 HIS 294 0.900 -10.104 38.400 -61.919 -99.200 -91.000 HIS 297 0.900 -14.454 29.102 -68.988 -99.200 -91.000 PHE 298 1.000 -22.543 29.203 -65.560 -99.200 -91.000 PHE 299 1.000 -13.674 27.608 -64.627 -99.200 -91.000 PHE 303 1.000 -23.656 21.080 -57.621 -99.200 -91.000 PHE 304 1.000 -23.920 18.569 -65.346 -99.200 -91.000 HIS 307 0.900 -27.453 13.626 -58.989 -99.200 -91.000 TYR 308 0.840 -27.988 15.526 -65.515 -99.200 -91.000 TYR 309 0.840 -21.238 7.345 -68.577 -99.200 -91.000 PHE 312 1.000 -15.016 14.762 -69.953 -99.200 -91.000 TRP 314 1.040 -8.914 14.340 -80.295 -99.200 -91.000 TRP6 314 1.020 -8.796 16.703 -80.283 -99.200 -91.000 PHE 321 1.000 -22.506 16.887 -70.698 -99.200 -91.000