============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 10 1.000 15.627 26.025 15.185 -99.200 -91.000 PHE 12 1.000 24.407 32.428 14.743 -99.200 -91.000 PHE 15 1.000 19.983 37.792 13.978 -99.200 -91.000 HIS 21 0.900 9.148 38.785 7.505 -99.200 -91.000 HIS 22 0.900 9.991 40.819 13.805 -99.200 -91.000 PHE 28 1.000 15.526 37.277 25.193 -99.200 -91.000 TYR 29 0.840 16.034 33.733 18.123 -99.200 -91.000 TYR 42 0.840 11.893 14.088 14.399 -99.200 -91.000 PHE 59 1.000 14.533 17.887 16.369 -99.200 -91.000 PHE 65 1.000 16.168 14.543 19.239 -99.200 -91.000 HIS 79 0.900 13.171 13.197 21.173 -99.200 -91.000 TYR 96 0.840 20.568 28.130 36.332 -99.200 -91.000 PHE 98 1.000 17.254 28.845 32.005 -99.200 -91.000 TYR 105 0.840 -3.252 23.952 26.249 -99.200 -91.000 TYR 110 0.840 -8.750 16.880 15.347 -99.200 -91.000 TYR 116 0.840 2.665 12.391 20.845 -99.200 -91.000 TYR 124 0.840 10.289 16.458 25.026 -99.200 -91.000 PHE 133 1.000 -8.032 24.303 20.694 -99.200 -91.000 TRP 147 1.040 -0.285 25.136 31.985 -99.200 -91.000 TRP6 147 1.020 1.397 24.926 30.365 -99.200 -91.000 PHE 179 1.000 18.791 33.364 32.421 -99.200 -91.000 TRP 183 1.040 25.182 40.156 35.780 -99.200 -91.000 TRP6 183 1.020 25.301 39.333 33.592 -99.200 -91.000 PHE 187 1.000 27.272 44.998 35.562 -99.200 -91.000 PHE 197 1.000 21.546 51.405 23.407 -99.200 -91.000 TYR 211 0.840 32.110 52.099 35.940 -99.200 -91.000 PHE 216 1.000 33.826 41.376 33.760 -99.200 -91.000 PHE 233 1.000 23.904 34.910 32.970 -99.200 -91.000 PHE 260 1.000 28.849 25.745 15.328 -99.200 -91.000 TRP 266 1.040 34.468 36.551 14.789 -99.200 -91.000 TRP6 266 1.020 32.281 37.147 14.137 -99.200 -91.000 TYR 279 0.840 31.013 52.905 31.279 -99.200 -91.000 TYR 289 0.840 10.194 36.888 17.851 -99.200 -91.000 PHE 304 1.000 3.493 25.189 10.930 -99.200 -91.000 HIS 326 0.900 10.348 31.029 21.810 -99.200 -91.000 HIS 329 0.900 10.195 39.173 31.212 -99.200 -91.000 PHE 354 1.000 31.897 45.167 25.272 -99.200 -91.000 HIS 358 0.900 27.982 51.574 20.077 -99.200 -91.000 PHE 360 1.000 23.861 45.350 23.800 -99.200 -91.000 PHE 362 1.000 20.790 39.853 24.258 -99.200 -91.000 HIS 366 0.900 25.052 23.651 29.329 -99.200 -91.000 PHE 374 1.000 16.856 32.701 27.292 -99.200 -91.000 PHE 375 1.000 21.973 35.802 18.090 -99.200 -91.000