============================================================================= 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 27 1.000 17.386 -65.843 -38.409 -99.200 -91.000 PHE 29 1.000 22.213 -62.502 -35.874 -99.200 -91.000 HIS 30 0.900 23.737 -69.323 -31.582 -99.200 -91.000 TYR 32 0.840 20.763 -70.147 -40.047 -99.200 -91.000 HIS 35 0.900 25.679 -63.215 -47.664 -99.200 -91.000 TRP 36 1.040 25.048 -55.288 -43.553 -99.200 -91.000 TRP6 36 1.020 22.982 -54.259 -43.055 -99.200 -91.000 TRP 47 1.040 28.381 -60.094 -51.050 -99.200 -91.000 TRP6 47 1.020 30.737 -60.077 -50.834 -99.200 -91.000 TYR 59 0.840 34.808 -64.558 -46.018 -99.200 -91.000 HIS 60 0.900 34.627 -56.221 -45.019 -99.200 -91.000 TRP 65 1.040 36.971 -48.548 -54.442 -99.200 -91.000 TRP6 65 1.020 38.631 -49.681 -55.675 -99.200 -91.000 TYR 80 0.840 25.115 -53.636 -34.513 -99.200 -91.000 PHE 83 1.000 28.144 -47.314 -45.791 -99.200 -91.000 PHE 93 1.000 23.777 -49.584 -48.129 -99.200 -91.000 PHE 94 1.000 17.025 -54.735 -50.429 -99.200 -91.000 TYR 103 0.840 23.277 -74.817 -38.507 -99.200 -91.000 TYR 105 0.840 23.521 -75.924 -46.402 -99.200 -91.000 HIS 106 0.900 28.759 -72.260 -50.589 -99.200 -91.000 TYR 107 0.840 20.047 -71.123 -50.714 -99.200 -91.000 TRP 111 1.040 17.005 -61.920 -49.764 -99.200 -91.000 TRP6 111 1.020 18.514 -60.488 -50.859 -99.200 -91.000 PHE 130 1.000 18.629 -23.898 -65.811 -99.200 -91.000 TYR 151 0.840 13.666 -31.591 -57.188 -99.200 -91.000 PHE 152 1.000 18.199 -33.407 -50.170 -99.200 -91.000 TRP 160 1.040 3.327 -28.186 -68.512 -99.200 -91.000 TRP6 160 1.020 4.882 -26.816 -69.630 -99.200 -91.000 HIS 170 0.900 3.741 -37.653 -72.633 -99.200 -91.000 PHE 172 1.000 9.340 -38.119 -69.365 -99.200 -91.000 TYR 182 0.840 16.306 -36.346 -55.368 -99.200 -91.000 TYR 200 0.840 1.882 -24.005 -75.515 -99.200 -91.000 HIS 206 0.900 12.035 -28.121 -53.322 -99.200 -91.000