============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 17 1.000 -20.331 28.796 19.647 -99.200 -91.000 PHE 35 1.000 -26.543 21.348 29.475 -99.200 -91.000 HIS 37 0.900 -30.268 24.923 32.029 -99.200 -91.000 HIS 40 0.900 -28.548 17.669 30.703 -99.200 -91.000 HIS 51 0.900 -25.378 26.827 36.339 -99.200 -91.000 HIS 52 0.900 -17.853 24.623 40.597 -99.200 -91.000 HIS 63 0.900 -13.822 25.674 35.160 -99.200 -91.000 TYR 73 0.840 -4.148 29.648 37.325 -99.200 -91.000 HIS 81 0.900 -14.071 16.845 27.620 -99.200 -91.000 HIS 101 0.900 -23.885 12.685 30.610 -99.200 -91.000 HIS 115 0.900 -22.866 1.528 31.228 -99.200 -91.000 TRP 126 1.040 -18.477 8.612 25.205 -99.200 -91.000 TRP6 126 1.020 -16.787 10.007 26.072 -99.200 -91.000 HIS 131 0.900 -17.185 18.082 21.697 -99.200 -91.000 TYR 179 0.840 -36.325 -19.166 23.587 -99.200 -91.000 TYR 190 0.840 -20.478 -27.589 38.015 -99.200 -91.000 PHE 195 1.000 -26.908 -15.825 28.667 -99.200 -91.000 HIS 197 0.900 -28.081 -14.075 23.330 -99.200 -91.000 HIS 200 0.900 -29.804 -13.521 31.381 -99.200 -91.000 PHE 217 1.000 -23.414 9.920 25.825 -99.200 -91.000 HIS 218 0.900 -27.240 2.422 26.017 -99.200 -91.000 HIS 229 0.900 -21.846 -11.856 21.999 -99.200 -91.000 HIS 230 0.900 -15.327 -8.271 26.182 -99.200 -91.000 HIS 245 0.900 -11.618 -13.923 26.963 -99.200 -91.000 TYR 263 0.840 -18.167 -19.029 28.798 -99.200 -91.000 HIS 264 0.900 -17.195 -19.357 36.788 -99.200 -91.000 HIS 271 0.900 -26.237 -13.129 37.178 -99.200 -91.000 HIS 288 0.900 -21.874 -24.148 36.247 -99.200 -91.000