============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 11 1.000 10.513 -42.312 15.325 -99.200 -91.000 HIS 12 0.900 8.595 -50.290 16.940 -99.200 -91.000 HIS 15 0.900 9.664 -46.744 12.316 -99.200 -91.000 HIS 25 0.900 -7.081 -42.336 -6.561 -99.200 -91.000 PHE 26 1.000 -1.524 -37.690 -2.749 -99.200 -91.000 TYR 35 0.840 4.733 -17.161 -10.232 -99.200 -91.000 PHE 43 1.000 -11.810 -7.982 -2.823 -99.200 -91.000 PHE 44 1.000 -16.433 -12.773 -2.795 -99.200 -91.000 PHE 50 1.000 -6.125 -26.024 -2.124 -99.200 -91.000 HIS 55 0.900 -4.963 -9.370 0.467 -99.200 -91.000 PHE 60 1.000 6.396 -15.189 1.011 -99.200 -91.000 HIS 62 0.900 -0.268 -15.727 1.502 -99.200 -91.000 HIS 64 0.900 -7.430 -19.193 2.788 -99.200 -91.000 PHE 74 1.000 2.107 -24.275 11.770 -99.200 -91.000 PHE 79 1.000 6.998 -31.260 4.403 -99.200 -91.000 HIS 80 0.900 10.779 -23.203 3.978 -99.200 -91.000 PHE 92 1.000 1.378 -21.738 -9.358 -99.200 -91.000 PHE 100 1.000 -3.964 -24.088 -7.070 -99.200 -91.000 TRP 109 1.040 -0.676 -24.509 -1.791 -99.200 -91.000 TRP6 109 1.020 -0.086 -23.231 -3.685 -99.200 -91.000 PHE 129 1.000 6.449 -23.399 -5.718 -99.200 -91.000 TYR 132 0.840 2.457 -21.895 6.049 -99.200 -91.000 TYR 142 0.840 1.298 -34.049 12.538 -99.200 -91.000 HIS 148 0.900 1.119 -44.057 3.232 -99.200 -91.000 PHE 153 1.000 0.719 -32.920 -2.035 -99.200 -91.000 TYR 171 0.840 18.656 -28.115 -1.570 -99.200 -91.000 HIS 177 0.900 18.646 -31.445 1.477 -99.200 -91.000 TRP 181 1.040 12.638 -35.745 0.845 -99.200 -91.000 TRP6 181 1.020 11.850 -34.635 2.777 -99.200 -91.000 TYR 183 0.840 13.568 -30.650 -7.647 -99.200 -91.000 TYR 186 0.840 10.515 -30.585 9.472 -99.200 -91.000 PHE 209 1.000 5.660 -33.622 9.711 -99.200 -91.000 TYR 210 0.840 14.165 -34.423 8.295 -99.200 -91.000