============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 -92.464 -38.029 -40.685 -99.200 -91.000 TYR 25 0.840 -82.815 -26.519 -24.415 -99.200 -91.000 PHE 26 1.000 -72.974 -23.181 -25.877 -99.200 -91.000 HIS 28 0.900 -83.116 -19.468 -24.175 -99.200 -91.000 PHE 32 1.000 -81.197 -18.800 -18.357 -99.200 -91.000 TRP 35 1.040 -78.599 -11.612 -17.695 -99.200 -91.000 TRP6 35 1.020 -80.555 -12.535 -18.653 -99.200 -91.000 TYR 45 0.840 -72.174 -26.896 -21.499 -99.200 -91.000 HIS 46 0.900 -74.298 -30.311 -17.610 -99.200 -91.000 HIS 54 0.900 -81.980 -36.015 -27.854 -99.200 -91.000 TYR 58 0.840 -83.242 -37.410 -34.768 -99.200 -91.000 PHE 64 1.000 -77.776 -48.936 -41.459 -99.200 -91.000 TYR 107 0.840 -94.014 -43.100 -43.003 -99.200 -91.000 HIS 112 0.900 -93.905 -53.698 -41.470 -99.200 -91.000 TYR 114 0.840 -91.473 -52.791 -36.846 -99.200 -91.000 HIS 130 0.900 -84.144 -32.320 -23.060 -99.200 -91.000 TRP 133 1.040 -85.037 -28.357 -15.171 -99.200 -91.000 TRP6 133 1.020 -84.366 -26.439 -16.359 -99.200 -91.000 TYR 149 0.840 -86.549 -19.806 -11.098 -99.200 -91.000