============================================================================= 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 0.693 7.912 -14.024 -99.200 -91.000 HIS 12 0.900 9.247 8.379 -20.582 -99.200 -91.000 PHE 14 1.000 6.309 8.012 -32.299 -99.200 -91.000 TYR 19 0.840 8.742 18.803 -32.869 -99.200 -91.000 PHE 30 1.000 -10.558 13.801 -32.803 -99.200 -91.000 PHE 34 1.000 0.669 16.660 -27.724 -99.200 -91.000 TYR 61 0.840 -16.661 16.541 -30.142 -99.200 -91.000 TYR 68 0.840 -22.231 23.760 -28.298 -99.200 -91.000 PHE 78 1.000 -4.364 26.639 -35.627 -99.200 -91.000 PHE 143 1.000 -3.037 15.657 -18.966 -99.200 -91.000 PHE 153 1.000 5.445 21.187 -21.982 -99.200 -91.000 HIS 156 0.900 13.386 12.397 -26.557 -99.200 -91.000 HIS 157 0.900 11.115 15.674 -33.518 -99.200 -91.000 PHE 160 1.000 15.913 8.482 -34.220 -99.200 -91.000 HIS 165 0.900 12.998 14.957 -37.912 -99.200 -91.000 PHE 166 1.000 11.298 7.834 -33.791 -99.200 -91.000 PHE 171 1.000 2.143 15.815 -21.425 -99.200 -91.000 TRP 176 1.040 17.540 14.097 -14.978 -99.200 -91.000 TRP6 176 1.020 17.383 16.273 -15.891 -99.200 -91.000 TYR 178 0.840 15.318 9.489 -24.192 -99.200 -91.000 PHE 183 1.000 18.017 20.339 -18.781 -99.200 -91.000 TYR 185 0.840 17.381 23.963 -14.693 -99.200 -91.000 TRP 194 1.040 5.967 27.083 -22.588 -99.200 -91.000 TRP6 194 1.020 6.282 26.716 -20.273 -99.200 -91.000 PHE 196 1.000 14.558 30.921 -24.548 -99.200 -91.000 TYR 230 0.840 17.783 41.705 -33.833 -99.200 -91.000 PHE 264 1.000 19.727 30.961 -31.835 -99.200 -91.000 PHE 271 1.000 22.390 25.881 -24.650 -99.200 -91.000 TYR 277 0.840 23.767 18.882 -36.752 -99.200 -91.000 TYR 278 0.840 23.937 27.255 -40.116 -99.200 -91.000 TYR 287 0.840 15.595 24.636 -48.054 -99.200 -91.000 PHE 290 1.000 19.742 30.326 -38.573 -99.200 -91.000 HIS 294 0.900 4.219 42.496 -40.198 -99.200 -91.000 HIS 297 0.900 8.519 36.468 -30.195 -99.200 -91.000 PHE 298 1.000 16.604 35.238 -33.369 -99.200 -91.000 PHE 299 1.000 7.902 33.520 -33.923 -99.200 -91.000 PHE 303 1.000 17.701 24.838 -37.766 -99.200 -91.000 PHE 304 1.000 18.086 25.190 -29.470 -99.200 -91.000 HIS 307 0.900 21.459 18.313 -33.712 -99.200 -91.000 TYR 308 0.840 22.079 22.460 -28.338 -99.200 -91.000 TYR 309 0.840 15.197 16.130 -22.395 -99.200 -91.000 PHE 312 1.000 8.960 23.660 -23.959 -99.200 -91.000 TRP 314 1.040 2.911 27.098 -14.285 -99.200 -91.000 TRP6 314 1.020 2.827 29.263 -15.237 -99.200 -91.000 PHE 321 1.000 16.479 25.686 -23.978 -99.200 -91.000