============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 25 0.840 -2.335 28.835 0.205 -99.200 -91.000 TYR 39 0.840 -0.122 45.139 0.052 -99.200 -91.000 TYR 68 0.840 -10.835 33.551 0.218 -99.200 -91.000 TYR 91 0.840 -4.683 62.460 1.075 -99.200 -91.000 TYR 105 0.840 -15.991 44.145 4.088 -99.200 -91.000 TYR 110 0.840 -5.368 40.460 12.865 -99.200 -91.000 TRP 113 1.040 -1.196 54.652 9.215 -99.200 -91.000 TRP6 113 1.020 -3.064 55.414 7.988 -99.200 -91.000 TYR 115 0.840 2.610 48.285 2.421 -99.200 -91.000 TRP 121 1.040 10.386 51.364 -0.415 -99.200 -91.000 TRP6 121 1.020 12.068 50.155 0.722 -99.200 -91.000 HIS 124 0.900 6.242 55.819 5.147 -99.200 -91.000 PHE 133 1.000 1.640 53.194 12.624 -99.200 -91.000 TYR 135 0.840 -6.718 61.232 12.467 -99.200 -91.000 HIS 137 0.900 -4.802 53.767 20.006 -99.200 -91.000 HIS 145 0.900 -15.834 51.194 13.400 -99.200 -91.000 TRP 153 1.040 5.819 51.204 13.783 -99.200 -91.000 TRP6 153 1.020 7.863 50.198 14.419 -99.200 -91.000 TYR 158 0.840 15.929 46.366 0.869 -99.200 -91.000 TRP 169 1.040 11.780 55.020 10.890 -99.200 -91.000 TRP6 169 1.020 11.026 56.579 9.282 -99.200 -91.000 TRP 170 1.040 7.678 52.563 19.753 -99.200 -91.000 TRP6 170 1.020 6.472 50.665 19.016 -99.200 -91.000 TYR 175 0.840 -0.661 56.953 20.657 -99.200 -91.000 TRP 178 1.040 -0.925 42.317 15.738 -99.200 -91.000 TRP6 178 1.020 -0.487 40.001 15.635 -99.200 -91.000 TYR 183 0.840 12.300 35.022 6.837 -99.200 -91.000 PHE 184 1.000 9.421 40.290 0.591 -99.200 -91.000 TRP 191 1.040 17.613 34.611 8.753 -99.200 -91.000 TRP6 191 1.020 19.174 33.310 7.551 -99.200 -91.000 PHE 200 1.000 11.533 49.049 18.190 -99.200 -91.000 PHE 209 1.000 0.131 39.256 10.845 -99.200 -91.000 TYR 218 0.840 15.642 30.356 -3.058 -99.200 -91.000 TYR 225 0.840 19.819 32.090 -4.755 -99.200 -91.000 TRP 244 1.040 11.199 22.407 3.502 -99.200 -91.000 TRP6 244 1.020 9.029 23.346 3.476 -99.200 -91.000 TRP 247 1.040 12.751 32.172 1.867 -99.200 -91.000 TRP6 247 1.020 10.497 31.944 2.562 -99.200 -91.000 PHE 248 1.000 9.044 27.556 0.954 -99.200 -91.000 TYR 251 0.840 8.162 32.063 6.488 -99.200 -91.000 PHE 252 1.000 6.895 27.258 7.772 -99.200 -91.000 PHE 254 1.000 12.501 35.605 12.357 -99.200 -91.000 PHE 265 1.000 2.683 31.759 8.471 -99.200 -91.000 TYR 267 0.840 4.640 31.468 1.094 -99.200 -91.000 TRP 272 1.040 6.398 37.066 -5.774 -99.200 -91.000 TRP6 272 1.020 6.151 39.062 -4.536 -99.200 -91.000 TRP 276 1.040 1.317 45.597 -14.995 -99.200 -91.000 TRP6 276 1.020 2.132 47.678 -14.239 -99.200 -91.000 TRP 278 1.040 5.760 42.346 -8.095 -99.200 -91.000 TRP6 278 1.020 6.778 44.204 -7.040 -99.200 -91.000 TYR 282 0.840 12.918 39.843 -14.019 -99.200 -91.000 TYR 286 0.840 14.539 36.866 -10.287 -99.200 -91.000 TRP 287 1.040 10.157 41.541 -6.663 -99.200 -91.000 TRP6 287 1.020 9.761 41.950 -4.373 -99.200 -91.000 TRP 302 1.040 2.271 26.142 2.803 -99.200 -91.000 TRP6 302 1.020 3.605 27.944 3.538 -99.200 -91.000 TYR 311 0.840 2.746 26.736 12.105 -99.200 -91.000 HIS 314 0.900 -12.252 28.710 7.811 -99.200 -91.000 PHE 319 1.000 -14.138 35.643 11.967 -99.200 -91.000 TYR 324 0.840 -15.228 40.114 15.383 -99.200 -91.000