============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 3 0.840 -31.110 -9.562 -15.204 -99.200 -91.000 PHE 7 1.000 -23.081 -9.577 -26.360 -99.200 -91.000 HIS 12 0.900 -12.109 -20.406 -18.853 -99.200 -91.000 PHE 21 1.000 -20.380 -8.730 -14.809 -99.200 -91.000 TRP 27 1.040 -11.555 -4.806 -18.083 -99.200 -91.000 TRP6 27 1.020 -11.426 -4.896 -20.438 -99.200 -91.000 TRP 40 1.040 -14.242 -13.964 -20.604 -99.200 -91.000 TRP6 40 1.020 -14.262 -15.413 -22.473 -99.200 -91.000 TYR 43 0.840 -20.288 -2.128 -19.831 -99.200 -91.000 PHE 47 1.000 -9.763 -14.242 -24.966 -99.200 -91.000 HIS 54 0.900 -3.085 -20.613 -9.640 -99.200 -91.000 TRP 63 1.040 -12.484 -8.611 -11.187 -99.200 -91.000 TRP6 63 1.020 -11.124 -7.760 -12.924 -99.200 -91.000 TRP 82 1.040 -3.155 -14.113 -11.305 -99.200 -91.000 TRP6 82 1.020 -1.636 -15.437 -12.538 -99.200 -91.000 HIS 96 0.900 -4.647 -21.917 2.819 -99.200 -91.000 TYR 99 0.840 -6.999 -30.559 -3.720 -99.200 -91.000 PHE 101 1.000 -14.111 -24.833 -3.173 -99.200 -91.000 PHE 105 1.000 -6.946 -8.611 -4.240 -99.200 -91.000 PHE 117 1.000 -11.501 -29.227 -0.666 -99.200 -91.000 TRP 124 1.040 -2.745 -15.574 2.161 -99.200 -91.000 TRP6 124 1.020 -0.945 -17.103 2.036 -99.200 -91.000 HIS 138 0.900 -15.235 -23.029 9.228 -99.200 -91.000 HIS 146 0.900 -17.663 -10.646 1.041 -99.200 -91.000 PHE 147 1.000 -10.593 -9.446 4.389 -99.200 -91.000 TYR 159 0.840 -18.032 -29.190 1.228 -99.200 -91.000 TRP 166 1.040 -13.209 -16.708 11.344 -99.200 -91.000 TRP6 166 1.020 -12.471 -18.206 13.014 -99.200 -91.000 PHE 187 1.000 -20.978 -17.271 -2.007 -99.200 -91.000 PHE 190 1.000 -19.454 -10.019 6.576 -99.200 -91.000 TYR 196 0.840 -29.471 -7.288 6.495 -99.200 -91.000 TRP 209 1.040 -27.915 -17.002 8.501 -99.200 -91.000 TRP6 209 1.020 -28.325 -18.070 10.569 -99.200 -91.000 TYR 211 0.840 -22.631 -9.187 10.544 -99.200 -91.000 TYR 220 0.840 -33.695 -14.970 -0.174 -99.200 -91.000 HIS 223 0.900 -31.539 -22.705 -4.605 -99.200 -91.000 TYR 228 0.840 -21.287 -30.081 -8.820 -99.200 -91.000 PHE 231 1.000 -18.322 -18.341 -6.560 -99.200 -91.000 PHE 234 1.000 -26.719 -9.837 -0.458 -99.200 -91.000 TRP 241 1.040 -33.816 -8.267 -9.026 -99.200 -91.000 TRP6 241 1.020 -36.144 -8.012 -8.713 -99.200 -91.000 TYR 252 0.840 -34.080 -21.805 -9.774 -99.200 -91.000 TRP 254 1.040 -35.328 -17.303 -4.792 -99.200 -91.000 TRP6 254 1.020 -33.231 -18.206 -5.399 -99.200 -91.000 HIS 268 0.900 -24.800 -21.357 -18.583 -99.200 -91.000 HIS 278 0.900 -21.667 -3.717 -15.186 -99.200 -91.000 TRP 298 1.040 -27.774 -14.880 -18.487 -99.200 -91.000 TRP6 298 1.020 -29.235 -16.395 -19.566 -99.200 -91.000