============================================================================= 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 8 0.900 -16.549 -6.483 41.284 -99.200 -91.000 TYR 19 0.840 -18.413 0.342 23.663 -99.200 -91.000 PHE 25 1.000 0.642 5.037 12.939 -99.200 -91.000 HIS 27 0.900 4.979 3.002 21.998 -99.200 -91.000 HIS 34 0.900 -8.352 4.103 26.102 -99.200 -91.000 TYR 36 0.840 -13.145 7.836 28.400 -99.200 -91.000 TYR 38 0.840 -24.073 9.768 26.180 -99.200 -91.000 PHE 43 1.000 -10.625 3.957 31.165 -99.200 -91.000 PHE 51 1.000 0.003 -3.901 13.500 -99.200 -91.000 HIS 54 0.900 -9.976 -1.719 11.793 -99.200 -91.000 TYR 65 0.840 -19.924 -9.098 17.288 -99.200 -91.000 TYR 70 0.840 -4.016 -11.725 19.252 -99.200 -91.000 HIS 71 0.900 2.488 -11.539 12.851 -99.200 -91.000 TRP 86 1.040 -12.955 -9.214 23.725 -99.200 -91.000 TRP6 86 1.020 -11.575 -8.916 25.617 -99.200 -91.000 PHE 93 1.000 -11.128 -14.765 23.991 -99.200 -91.000 TYR 109 0.840 -11.125 5.848 6.532 -99.200 -91.000 PHE 113 1.000 -14.849 -5.970 13.158 -99.200 -91.000 PHE 121 1.000 -24.526 -14.567 7.993 -99.200 -91.000 TYR 143 0.840 -13.380 -15.736 6.140 -99.200 -91.000 TRP 154 1.040 -11.153 0.527 1.208 -99.200 -91.000 TRP6 154 1.020 -9.739 -1.310 1.592 -99.200 -91.000 PHE 166 1.000 -21.915 -7.201 2.096 -99.200 -91.000 PHE 196 1.000 -17.059 7.685 -6.733 -99.200 -91.000 PHE 204 1.000 -13.562 13.299 2.058 -99.200 -91.000 HIS 215 0.900 -28.262 11.367 1.292 -99.200 -91.000 PHE 216 1.000 -21.663 6.817 -0.299 -99.200 -91.000 TYR 219 0.840 -10.422 13.247 -2.026 -99.200 -91.000 TYR 220 0.840 -12.020 18.249 -6.439 -99.200 -91.000 TYR 224 0.840 -21.139 12.581 -6.766 -99.200 -91.000 PHE 228 1.000 -29.695 1.474 0.996 -99.200 -91.000 TRP 239 1.040 -27.204 17.203 -3.093 -99.200 -91.000 TRP6 239 1.020 -26.969 18.395 -1.062 -99.200 -91.000 TRP 251 1.040 -15.518 27.796 3.734 -99.200 -91.000 TRP6 251 1.020 -15.215 27.038 5.937 -99.200 -91.000 TYR 256 0.840 -8.212 10.544 8.841 -99.200 -91.000 HIS 262 0.900 -31.812 13.562 13.861 -99.200 -91.000 TYR 269 0.840 -25.847 16.734 12.028 -99.200 -91.000 PHE 271 1.000 -16.106 16.271 11.740 -99.200 -91.000 HIS 273 0.900 -10.419 21.240 4.812 -99.200 -91.000 HIS 281 0.900 -7.181 13.766 0.562 -99.200 -91.000 PHE 283 1.000 -5.030 20.447 5.556 -99.200 -91.000 TRP 289 1.040 -19.998 24.277 6.770 -99.200 -91.000 TRP6 289 1.020 -19.851 24.831 4.480 -99.200 -91.000 TYR 330 0.840 -20.686 19.302 19.069 -99.200 -91.000 PHE 355 1.000 -23.574 8.144 20.944 -99.200 -91.000 HIS 356 0.900 -23.535 -1.202 24.668 -99.200 -91.000