============================================================================= 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. TYR 11 0.840 1.970 14.440 23.044 -99.200 -91.000 TYR 17 0.840 13.267 16.537 15.186 -99.200 -91.000 TYR 30 0.840 14.210 13.838 -6.092 -99.200 -91.000 PHE 43 1.000 2.790 10.583 9.271 -99.200 -91.000 PHE 46 1.000 9.126 11.672 12.873 -99.200 -91.000 HIS 58 0.900 12.244 0.741 29.430 -99.200 -91.000 TYR 60 0.840 11.269 -5.201 26.186 -99.200 -91.000 HIS 70 0.900 5.623 -13.337 7.148 -99.200 -91.000 TYR 71 0.840 0.664 -7.999 13.986 -99.200 -91.000 PHE 74 1.000 9.082 -0.747 13.848 -99.200 -91.000 TYR 77 0.840 13.222 -11.330 20.839 -99.200 -91.000 TYR 94 0.840 -8.674 11.065 4.514 -99.200 -91.000 PHE 104 1.000 -6.170 4.963 13.354 -99.200 -91.000 TYR 109 0.840 -12.518 -10.702 9.426 -99.200 -91.000 PHE 112 1.000 -1.962 -11.137 12.818 -99.200 -91.000 TYR 122 0.840 10.264 -14.191 16.626 -99.200 -91.000 PHE 124 1.000 -2.085 -13.592 18.196 -99.200 -91.000 TYR 127 0.840 4.544 -11.369 18.537 -99.200 -91.000 HIS 130 0.900 -0.425 -9.061 19.348 -99.200 -91.000 TRP 131 1.040 1.759 -2.267 23.472 -99.200 -91.000 TRP6 131 1.020 3.906 -1.600 24.194 -99.200 -91.000 TYR 135 0.840 2.803 8.490 13.692 -99.200 -91.000 TYR 137 0.840 -2.650 12.232 6.308 -99.200 -91.000 TYR 150 0.840 11.328 22.928 -2.965 -99.200 -91.000 TYR 162 0.840 2.916 16.586 7.616 -99.200 -91.000 PHE 168 1.000 -4.248 6.008 18.249 -99.200 -91.000 TRP 173 1.040 -7.095 -5.492 24.886 -99.200 -91.000 TRP6 173 1.020 -8.986 -4.899 26.163 -99.200 -91.000 HIS 192 0.900 -16.365 6.753 11.972 -99.200 -91.000 HIS 194 0.900 -15.055 13.279 17.919 -99.200 -91.000 TYR 195 0.840 -5.157 12.121 19.576 -99.200 -91.000 PHE 198 1.000 -9.267 5.709 17.542 -99.200 -91.000 PHE 205 1.000 -14.458 -6.422 20.753 -99.200 -91.000 PHE 211 1.000 -9.026 -7.935 19.223 -99.200 -91.000 TYR 214 0.840 -17.488 -8.940 17.099 -99.200 -91.000 TRP 215 1.040 -12.819 -8.221 15.684 -99.200 -91.000 TRP6 215 1.020 -13.807 -7.725 13.597 -99.200 -91.000 TYR 218 0.840 -17.167 -9.420 11.409 -99.200 -91.000 TYR 229 0.840 -20.382 -12.604 16.191 -99.200 -91.000 TYR 235 0.840 -19.080 -11.988 21.108 -99.200 -91.000 TRP 238 1.040 -23.514 -16.722 18.092 -99.200 -91.000 TRP6 238 1.020 -21.233 -17.196 18.454 -99.200 -91.000 TYR 240 0.840 -28.408 -14.630 28.702 -99.200 -91.000