============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 -22.056 25.183 15.464 -99.200 -91.000 PHE 24 1.000 -15.574 29.099 23.094 -99.200 -91.000 PHE 29 1.000 -15.530 20.195 22.484 -99.200 -91.000 PHE 46 1.000 -22.518 13.515 17.888 -99.200 -91.000 TYR 59 0.840 -21.285 31.131 27.779 -99.200 -91.000 TRP 71 1.040 -14.795 40.519 34.614 -99.200 -91.000 TRP6 71 1.020 -14.810 42.310 36.161 -99.200 -91.000 HIS 93 0.900 4.727 50.679 27.922 -99.200 -91.000 TYR 95 0.840 -5.934 46.565 26.331 -99.200 -91.000 TYR 96 0.840 -1.978 45.767 19.867 -99.200 -91.000 PHE 99 1.000 -10.638 36.962 24.590 -99.200 -91.000 TYR 101 0.840 -9.926 27.387 21.068 -99.200 -91.000 HIS 103 0.900 -14.021 37.135 14.878 -99.200 -91.000 PHE 124 1.000 1.579 39.440 30.987 -99.200 -91.000 TYR 127 0.840 -4.720 30.223 29.020 -99.200 -91.000 TYR 130 0.840 3.617 26.369 28.561 -99.200 -91.000 TYR 143 0.840 5.720 28.106 13.460 -99.200 -91.000 TYR 145 0.840 -0.561 36.682 11.223 -99.200 -91.000 TYR 146 0.840 4.340 37.124 12.600 -99.200 -91.000 TRP 157 1.040 6.252 38.830 17.471 -99.200 -91.000 TRP6 157 1.020 4.260 38.760 18.754 -99.200 -91.000 TRP 163 1.040 1.805 35.147 34.231 -99.200 -91.000 TRP6 163 1.020 -0.068 36.067 35.339 -99.200 -91.000 HIS 166 0.900 4.222 39.263 40.029 -99.200 -91.000 HIS 167 0.900 5.613 40.527 44.428 -99.200 -91.000 PHE 173 1.000 -5.900 33.463 42.589 -99.200 -91.000 HIS 176 0.900 -9.818 38.905 45.151 -99.200 -91.000 HIS 183 0.900 -17.972 38.216 52.822 -99.200 -91.000 PHE 184 1.000 -17.023 30.253 54.663 -99.200 -91.000 PHE 196 1.000 -5.943 27.044 47.348 -99.200 -91.000 HIS 199 0.900 -10.691 23.519 32.459 -99.200 -91.000 TYR 212 0.840 -3.267 23.524 34.499 -99.200 -91.000 TYR 229 0.840 1.084 26.094 55.304 -99.200 -91.000 TYR 233 0.840 -3.427 23.369 51.396 -99.200 -91.000 TRP 237 1.040 -6.833 18.485 39.926 -99.200 -91.000 TRP6 237 1.020 -5.027 19.870 39.259 -99.200 -91.000 TRP 246 1.040 -10.683 14.901 30.907 -99.200 -91.000 TRP6 246 1.020 -10.655 17.235 30.514 -99.200 -91.000 PHE 273 1.000 -10.926 28.915 35.590 -99.200 -91.000 HIS 277 0.900 -13.784 31.904 33.183 -99.200 -91.000 TYR 282 0.840 -24.658 26.764 34.854 -99.200 -91.000 TYR 288 0.840 -19.244 21.880 40.330 -99.200 -91.000 PHE 313 1.000 -4.745 39.848 36.992 -99.200 -91.000 HIS 322 0.900 9.913 48.439 34.813 -99.200 -91.000 HIS 324 0.900 9.554 39.506 28.553 -99.200 -91.000 PHE 353 1.000 7.438 34.015 16.321 -99.200 -91.000 PHE 354 1.000 7.168 33.629 21.184 -99.200 -91.000