============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 2 0.840 5.810 42.294 19.370 -99.200 -91.000 PHE 10 1.000 13.015 36.711 27.199 -99.200 -91.000 PHE 12 1.000 10.093 31.128 31.813 -99.200 -91.000 TRP 15 1.040 10.682 28.889 42.184 -99.200 -91.000 TRP6 15 1.020 12.958 29.089 41.607 -99.200 -91.000 TRP 19 1.040 2.513 27.408 43.572 -99.200 -91.000 TRP6 19 1.020 0.515 28.597 43.170 -99.200 -91.000 PHE 25 1.000 -6.620 31.823 53.940 -99.200 -91.000 HIS 48 0.900 20.667 31.140 27.696 -99.200 -91.000 PHE 52 1.000 19.767 23.257 40.718 -99.200 -91.000 HIS 53 0.900 14.143 27.215 45.466 -99.200 -91.000 PHE 60 1.000 15.035 17.434 54.093 -99.200 -91.000 HIS 70 0.900 15.613 12.062 41.986 -99.200 -91.000 PHE 74 1.000 18.108 19.861 35.649 -99.200 -91.000 PHE 93 1.000 11.967 28.411 50.485 -99.200 -91.000 HIS 95 0.900 12.420 19.391 57.692 -99.200 -91.000 PHE 98 1.000 16.373 24.701 57.000 -99.200 -91.000 PHE 103 1.000 22.870 31.048 55.339 -99.200 -91.000 TYR 113 0.840 20.183 20.263 58.040 -99.200 -91.000 TYR 133 0.840 23.989 28.500 45.774 -99.200 -91.000 TRP 136 1.040 13.357 35.043 49.820 -99.200 -91.000 TRP6 136 1.020 11.759 33.392 50.368 -99.200 -91.000 PHE 161 1.000 24.748 35.636 52.849 -99.200 -91.000 TYR 167 0.840 32.957 24.830 49.891 -99.200 -91.000 TYR 173 0.840 33.633 25.094 43.781 -99.200 -91.000 PHE 177 1.000 28.246 32.808 47.643 -99.200 -91.000 HIS 197 0.900 16.559 48.204 54.746 -99.200 -91.000 PHE 201 1.000 24.722 41.067 55.550 -99.200 -91.000 TYR 211 0.840 29.595 37.692 49.723 -99.200 -91.000 HIS 219 0.900 10.192 39.072 46.738 -99.200 -91.000 PHE 227 1.000 12.426 45.666 40.526 -99.200 -91.000 HIS 229 0.900 13.033 56.310 40.886 -99.200 -91.000 TRP 236 1.040 25.793 55.705 41.341 -99.200 -91.000 TRP6 236 1.020 26.194 55.889 43.658 -99.200 -91.000 PHE 241 1.000 27.423 40.492 41.712 -99.200 -91.000 HIS 242 0.900 19.368 35.619 38.467 -99.200 -91.000 TYR 253 0.840 -2.005 37.602 47.524 -99.200 -91.000 PHE 259 1.000 8.493 42.091 32.856 -99.200 -91.000 PHE 268 1.000 8.224 52.627 28.223 -99.200 -91.000 TRP 269 1.040 8.721 54.731 33.100 -99.200 -91.000 TRP6 269 1.020 9.711 56.085 31.434 -99.200 -91.000 TYR 279 0.840 20.784 42.024 33.891 -99.200 -91.000 HIS 284 0.900 14.931 33.214 37.681 -99.200 -91.000 PHE 285 1.000 10.389 36.260 32.254 -99.200 -91.000 PHE 287 1.000 5.286 32.353 35.412 -99.200 -91.000 PHE 295 1.000 0.189 20.411 34.519 -99.200 -91.000 TRP 299 1.040 3.073 23.963 29.472 -99.200 -91.000 TRP6 299 1.020 5.109 24.051 30.653 -99.200 -91.000 TYR 309 0.840 12.974 42.007 28.803 -99.200 -91.000 PHE 319 1.000 10.625 57.759 25.965 -99.200 -91.000 PHE 356 1.000 23.995 82.477 48.962 -99.200 -91.000 PHE 359 1.000 20.410 80.770 40.926 -99.200 -91.000 PHE 371 1.000 10.775 67.090 35.045 -99.200 -91.000 HIS 381 0.900 7.584 56.605 20.851 -99.200 -91.000