============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 18 1.000 -20.533 12.147 16.980 -99.200 -91.000 HIS 22 0.900 -31.438 20.356 24.093 -99.200 -91.000 HIS 24 0.900 -29.863 20.786 29.324 -99.200 -91.000 PHE 32 1.000 -31.318 23.647 43.915 -99.200 -91.000 TRP 36 1.040 -29.955 21.817 49.123 -99.200 -91.000 TRP6 36 1.020 -32.314 21.697 49.004 -99.200 -91.000 PHE 39 1.000 -31.959 18.166 44.451 -99.200 -91.000 PHE 40 1.000 -27.590 19.413 41.743 -99.200 -91.000 PHE 71 1.000 -30.046 34.298 35.664 -99.200 -91.000 HIS 90 0.900 -12.992 21.045 21.487 -99.200 -91.000 TRP 98 1.040 -35.585 25.404 29.921 -99.200 -91.000 TRP6 98 1.020 -35.854 24.783 32.198 -99.200 -91.000 PHE 116 1.000 -28.768 37.838 30.888 -99.200 -91.000 PHE 117 1.000 -31.607 36.749 25.715 -99.200 -91.000 TYR 123 0.840 -18.027 41.954 30.751 -99.200 -91.000 PHE 145 1.000 -39.838 37.274 30.001 -99.200 -91.000 HIS 167 0.900 -38.935 22.864 26.065 -99.200 -91.000 PHE 182 1.000 -36.864 32.282 16.695 -99.200 -91.000 HIS 196 0.900 -36.632 19.479 23.671 -99.200 -91.000 TYR 205 0.840 -43.758 20.945 13.799 -99.200 -91.000 TYR 214 0.840 -37.188 28.290 10.616 -99.200 -91.000 HIS 220 0.900 -36.899 14.876 23.241 -99.200 -91.000 TYR 223 0.840 -35.036 13.010 27.550 -99.200 -91.000 TRP 243 1.040 -33.575 2.853 21.498 -99.200 -91.000 TRP6 243 1.020 -32.156 2.717 19.611 -99.200 -91.000 TYR 258 0.840 -36.435 18.779 3.395 -99.200 -91.000 TRP 268 1.040 -28.025 11.165 30.143 -99.200 -91.000 TRP6 268 1.020 -30.168 10.243 29.778 -99.200 -91.000 PHE 270 1.000 -22.815 14.055 32.599 -99.200 -91.000 PHE 272 1.000 -34.255 17.347 34.652 -99.200 -91.000 TYR 275 0.840 -39.752 16.098 35.669 -99.200 -91.000 PHE 293 1.000 -29.587 5.656 22.940 -99.200 -91.000 PHE 301 1.000 -32.654 1.951 14.580 -99.200 -91.000 PHE 323 1.000 -27.699 25.764 15.169 -99.200 -91.000