============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 1 1.000 -52.760 -26.490 -40.632 -99.200 -91.000 TYR 7 0.840 -49.973 -18.998 -38.994 -99.200 -91.000 PHE 25 1.000 -31.159 -28.468 -30.963 -99.200 -91.000 TYR 27 0.840 -27.562 -29.255 -22.778 -99.200 -91.000 PHE 31 1.000 -43.176 -30.649 -23.180 -99.200 -91.000 TYR 33 0.840 -34.667 -37.730 -25.508 -99.200 -91.000 TYR 35 0.840 -43.489 -31.574 -29.424 -99.200 -91.000 PHE 53 1.000 -34.003 -30.116 -38.923 -99.200 -91.000 PHE 56 1.000 -30.913 -20.325 -36.416 -99.200 -91.000 HIS 57 0.900 -27.928 -25.953 -28.074 -99.200 -91.000 TYR 64 0.840 -21.414 -28.700 -18.648 -99.200 -91.000 PHE 72 1.000 -26.002 -30.221 -30.159 -99.200 -91.000 PHE 87 1.000 -33.877 -34.721 -39.712 -99.200 -91.000 PHE 93 1.000 -27.599 -31.711 -34.999 -99.200 -91.000 PHE 98 1.000 -32.142 -38.226 -31.438 -99.200 -91.000 TYR 100 0.840 -23.779 -33.365 -25.807 -99.200 -91.000 TYR 101 0.840 -32.504 -34.011 -27.535 -99.200 -91.000 TYR 104 0.840 -30.512 -31.951 -18.845 -99.200 -91.000 HIS 105 0.900 -33.836 -33.954 -21.457 -99.200 -91.000 TRP 111 1.040 -21.722 -34.504 -18.953 -99.200 -91.000 TRP6 111 1.020 -23.909 -33.930 -19.654 -99.200 -91.000 PHE 120 1.000 -22.531 -30.757 -22.763 -99.200 -91.000 PHE 135 1.000 -15.461 -28.926 -29.918 -99.200 -91.000 TRP 151 1.040 -27.305 -21.987 -34.778 -99.200 -91.000 TRP6 151 1.020 -26.182 -23.932 -34.056 -99.200 -91.000 TYR 155 0.840 -32.301 -14.357 -24.139 -99.200 -91.000 TYR 166 0.840 -40.367 -28.174 -34.578 -99.200 -91.000 TYR 172 0.840 -45.234 -16.629 -42.289 -99.200 -91.000 TYR 175 0.840 -48.537 -19.699 -30.818 -99.200 -91.000