============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 14 0.840 6.414 22.819 20.656 -99.200 -91.000 PHE 15 1.000 3.599 24.547 29.186 -99.200 -91.000 TYR 17 0.840 6.668 30.163 33.303 -99.200 -91.000 PHE 22 1.000 9.353 26.293 28.871 -99.200 -91.000 TYR 27 0.840 9.913 20.466 29.705 -99.200 -91.000 PHE 47 1.000 21.954 25.016 38.891 -99.200 -91.000 TYR 51 0.840 17.770 26.225 21.232 -99.200 -91.000 TRP 58 1.040 30.886 14.494 24.623 -99.200 -91.000 TRP6 58 1.020 31.609 15.351 22.537 -99.200 -91.000 TRP 74 1.040 26.342 7.943 39.835 -99.200 -91.000 TRP6 74 1.020 26.632 10.283 39.607 -99.200 -91.000 TRP 81 1.040 15.991 9.265 33.831 -99.200 -91.000 TRP6 81 1.020 16.328 7.578 32.212 -99.200 -91.000 TRP 86 1.040 16.825 16.788 32.107 -99.200 -91.000 TRP6 86 1.020 18.104 18.067 30.580 -99.200 -91.000 PHE 94 1.000 15.805 23.568 41.618 -99.200 -91.000 HIS 105 0.900 17.957 21.315 27.150 -99.200 -91.000 PHE 111 1.000 19.476 28.344 35.904 -99.200 -91.000 PHE 115 1.000 23.941 31.295 38.289 -99.200 -91.000 PHE 116 1.000 20.408 35.522 37.021 -99.200 -91.000 TYR 124 0.840 24.617 28.451 27.012 -99.200 -91.000 TYR 137 0.840 13.596 17.044 9.644 -99.200 -91.000 HIS 138 0.900 17.526 13.412 10.856 -99.200 -91.000 TYR 139 0.840 14.900 14.505 20.994 -99.200 -91.000 PHE 155 1.000 12.941 21.607 12.986 -99.200 -91.000 PHE 159 1.000 17.133 26.419 15.000 -99.200 -91.000 PHE 166 1.000 13.415 23.951 26.820 -99.200 -91.000 TRP 169 1.040 21.504 28.226 18.915 -99.200 -91.000 TRP6 169 1.020 23.049 29.769 17.995 -99.200 -91.000 PHE 170 1.000 19.653 32.955 15.245 -99.200 -91.000 HIS 172 0.900 19.286 28.656 25.529 -99.200 -91.000 TRP 176 1.040 21.555 30.776 29.686 -99.200 -91.000 TRP6 176 1.020 22.109 30.756 31.983 -99.200 -91.000 PHE 185 1.000 28.490 31.544 31.653 -99.200 -91.000 PHE 187 1.000 30.209 29.754 24.779 -99.200 -91.000 TYR 190 0.840 28.824 18.204 19.245 -99.200 -91.000 PHE 207 1.000 33.300 26.614 35.728 -99.200 -91.000 HIS 223 0.900 34.243 4.144 30.720 -99.200 -91.000 PHE 226 1.000 27.890 8.861 18.638 -99.200 -91.000 TYR 237 0.840 18.742 10.170 27.233 -99.200 -91.000 HIS 247 0.900 14.033 3.401 22.929 -99.200 -91.000 PHE 252 1.000 18.999 12.262 23.586 -99.200 -91.000 TRP 261 1.040 26.489 22.700 8.608 -99.200 -91.000 TRP6 261 1.020 26.225 24.266 6.859 -99.200 -91.000 HIS 264 0.900 20.489 15.831 7.313 -99.200 -91.000 PHE 265 1.000 20.906 24.189 7.448 -99.200 -91.000 PHE 273 1.000 21.416 29.074 10.250 -99.200 -91.000 TYR 277 0.840 25.427 32.994 13.187 -99.200 -91.000 PHE 287 1.000 29.669 32.606 19.369 -99.200 -91.000 TRP 289 1.040 28.743 28.556 15.648 -99.200 -91.000 TRP6 289 1.020 28.770 28.004 17.944 -99.200 -91.000