============================================================================= 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. PHE 19 1.000 -35.188 4.904 65.690 -99.200 -91.000 TYR 24 0.840 -35.533 -2.520 65.990 -99.200 -91.000 PHE 26 1.000 -30.013 -7.176 67.963 -99.200 -91.000 HIS 27 0.900 -29.843 -16.156 62.232 -99.200 -91.000 TYR 31 0.840 -24.478 -11.767 73.592 -99.200 -91.000 PHE 32 1.000 -13.462 -12.029 73.673 -99.200 -91.000 TYR 36 0.840 -12.178 -4.940 83.445 -99.200 -91.000 PHE 60 1.000 -13.967 -5.186 76.026 -99.200 -91.000 HIS 66 0.900 -21.346 -12.798 63.022 -99.200 -91.000 TYR 74 0.840 -25.199 -3.450 64.754 -99.200 -91.000 PHE 85 1.000 -34.196 0.240 90.954 -99.200 -91.000 TYR 92 0.840 -24.668 2.360 84.581 -99.200 -91.000 HIS 94 0.900 -18.891 3.283 82.331 -99.200 -91.000 TYR 97 0.840 -17.283 3.950 73.267 -99.200 -91.000 TYR 113 0.840 -29.734 -0.987 74.520 -99.200 -91.000 TYR 119 0.840 -15.191 3.701 63.086 -99.200 -91.000 PHE 123 1.000 -9.069 -10.055 64.227 -99.200 -91.000 TYR 135 0.840 -14.653 7.889 70.020 -99.200 -91.000 TYR 147 0.840 -12.240 -20.679 67.692 -99.200 -91.000 HIS 149 0.900 -7.655 -22.747 74.643 -99.200 -91.000 TYR 166 0.840 -30.990 -2.931 86.874 -99.200 -91.000 TYR 174 0.840 -36.737 21.487 71.836 -99.200 -91.000 HIS 194 0.900 -28.324 -20.586 67.691 -99.200 -91.000 TRP 197 1.040 -17.724 -22.820 72.455 -99.200 -91.000 TRP6 197 1.020 -17.034 -25.084 72.540 -99.200 -91.000 PHE 206 1.000 -3.253 0.016 74.185 -99.200 -91.000 HIS 208 0.900 -9.926 8.413 72.230 -99.200 -91.000 HIS 226 0.900 -16.729 -17.146 70.775 -99.200 -91.000 TYR 240 0.840 -34.567 6.916 91.299 -99.200 -91.000 TYR 242 0.840 -31.622 9.126 88.417 -99.200 -91.000