============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. HIS 2 0.900 -30.162 30.780 -0.376 -99.200 -91.000 TYR 13 0.840 -20.031 27.230 0.690 -99.200 -91.000 PHE 23 1.000 -22.713 38.031 16.802 -99.200 -91.000 PHE 24 1.000 -18.660 41.585 12.363 -99.200 -91.000 HIS 27 0.900 -31.373 44.347 10.748 -99.200 -91.000 HIS 32 0.900 -25.099 45.757 17.270 -99.200 -91.000 TRP 40 1.040 -22.395 61.039 23.244 -99.200 -91.000 TRP6 40 1.020 -20.539 61.169 24.725 -99.200 -91.000 PHE 43 1.000 -20.500 58.917 30.221 -99.200 -91.000 PHE 50 1.000 -21.845 68.933 27.559 -99.200 -91.000 PHE 51 1.000 -28.815 66.303 28.788 -99.200 -91.000 HIS 57 0.900 -42.601 57.154 30.773 -99.200 -91.000 HIS 86 0.900 -21.433 61.149 7.044 -99.200 -91.000 TYR 93 0.840 -30.230 64.622 9.536 -99.200 -91.000 PHE 94 1.000 -34.387 55.287 13.969 -99.200 -91.000 TYR 113 0.840 -27.300 69.276 24.868 -99.200 -91.000 HIS 115 0.900 -22.539 62.028 15.766 -99.200 -91.000 TYR 116 0.840 -22.873 69.095 22.774 -99.200 -91.000 TYR 128 0.840 -17.182 47.957 11.577 -99.200 -91.000 TYR 158 0.840 -9.648 6.484 17.127 -99.200 -91.000 HIS 160 0.900 -1.857 0.540 23.114 -99.200 -91.000 HIS 168 0.900 12.763 13.854 4.498 -99.200 -91.000 PHE 177 1.000 -6.043 9.327 13.705 -99.200 -91.000 PHE 184 1.000 -2.609 18.281 13.103 -99.200 -91.000 TYR 185 0.840 -6.026 19.962 23.580 -99.200 -91.000 HIS 189 0.900 -4.861 24.960 25.683 -99.200 -91.000 HIS 190 0.900 0.507 29.406 22.074 -99.200 -91.000 HIS 191 0.900 -2.299 28.645 16.666 -99.200 -91.000 PHE 204 1.000 -18.371 57.946 21.779 -99.200 -91.000 PHE 211 1.000 -11.185 63.263 24.510 -99.200 -91.000 HIS 214 0.900 -15.174 65.524 22.774 -99.200 -91.000 TRP 223 1.040 -14.134 66.453 27.808 -99.200 -91.000 TRP6 223 1.020 -16.298 65.530 27.701 -99.200 -91.000 PHE 230 1.000 -20.104 56.300 26.001 -99.200 -91.000 HIS 234 0.900 -23.565 53.838 29.516 -99.200 -91.000 PHE 235 1.000 -21.010 51.298 24.307 -99.200 -91.000 TYR 239 0.840 -10.299 56.351 25.965 -99.200 -91.000 TYR 242 0.840 -1.844 58.782 23.470 -99.200 -91.000 HIS 249 0.900 -9.161 50.692 11.769 -99.200 -91.000 TYR 251 0.840 -9.954 46.021 18.044 -99.200 -91.000 TRP 274 1.040 -7.184 14.976 0.293 -99.200 -91.000 TRP6 274 1.020 -5.475 14.077 -1.084 -99.200 -91.000 TYR 276 0.840 -2.501 10.582 9.206 -99.200 -91.000 HIS 293 0.900 -19.382 -1.052 -2.106 -99.200 -91.000 PHE 300 1.000 -11.468 15.729 7.429 -99.200 -91.000 HIS 308 0.900 -5.228 27.173 1.415 -99.200 -91.000 PHE 313 1.000 -12.485 38.332 2.508 -99.200 -91.000 PHE 314 1.000 -8.953 35.951 9.408 -99.200 -91.000 PHE 317 1.000 -10.202 42.008 7.016 -99.200 -91.000 TYR 345 0.840 -15.283 33.438 2.285 -99.200 -91.000 TYR 350 0.840 -12.657 28.121 12.383 -99.200 -91.000 TRP 375 1.040 8.944 -6.151 10.687 -99.200 -91.000 TRP6 375 1.020 9.563 -7.008 12.803 -99.200 -91.000 HIS 389 0.900 24.350 -3.080 26.652 -99.200 -91.000 TYR 391 0.840