============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 -2.892 -29.267 33.509 -99.200 -91.000 PHE 29 1.000 -6.490 -34.870 34.450 -99.200 -91.000 HIS 35 0.900 -14.446 -24.728 35.290 -99.200 -91.000 TRP 36 1.040 -16.156 -31.320 30.534 -99.200 -91.000 TRP6 36 1.020 -15.223 -32.236 28.559 -99.200 -91.000 HIS 41 0.900 -23.873 -18.200 14.432 -99.200 -91.000 TRP 47 1.040 -19.191 -23.660 33.838 -99.200 -91.000 TRP6 47 1.020 -20.468 -24.518 35.647 -99.200 -91.000 TYR 54 0.840 -8.942 -29.878 43.263 -99.200 -91.000 TYR 60 0.840 -22.839 -32.864 36.492 -99.200 -91.000 PHE 64 1.000 -25.861 -27.616 29.194 -99.200 -91.000 TYR 80 0.840 -12.594 -40.441 29.678 -99.200 -91.000 TYR 94 0.840 -21.465 -30.425 23.292 -99.200 -91.000 TYR 95 0.840 -14.577 -24.611 22.326 -99.200 -91.000 TRP 100 1.040 -6.148 -18.500 35.375 -99.200 -91.000 TRP6 100 1.020 -4.767 -16.680 35.981 -99.200 -91.000 PHE 105 1.000 -10.722 -15.836 35.884 -99.200 -91.000 TYR 107 0.840 -2.617 -22.502 29.118 -99.200 -91.000 TRP 108 1.040 -10.799 -21.446 26.730 -99.200 -91.000 TRP6 108 1.020 -13.179 -21.494 26.672 -99.200 -91.000 PHE 127 1.000 -12.872 -36.462 -7.274 -99.200 -91.000 TYR 150 0.840 -17.120 -33.083 3.857 -99.200 -91.000 PHE 151 1.000 -24.566 -36.018 7.548 -99.200 -91.000 TRP 159 1.040 -2.947 -27.592 1.261 -99.200 -91.000 TRP6 159 1.020 -2.843 -28.534 -0.909 -99.200 -91.000 HIS 169 0.900 -6.936 -17.812 0.923 -99.200 -91.000 PHE 171 1.000 -12.103 -20.970 -0.838 -99.200 -91.000 TYR 181 0.840 -22.247 -30.612 5.507 -99.200 -91.000 TYR 199 0.840 3.614 -26.919 -3.831 -99.200 -91.000 HIS 205 0.900 -16.078 -37.327 7.147 -99.200 -91.000