============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 17 0.840 11.745 -26.786 76.597 -99.200 -91.000 PHE 22 1.000 19.205 -16.096 73.317 -99.200 -91.000 PHE 29 1.000 23.121 -6.739 69.719 -99.200 -91.000 TYR 55 0.840 21.952 2.511 72.994 -99.200 -91.000 HIS 78 0.900 13.754 -11.303 83.039 -99.200 -91.000 HIS 81 0.900 21.082 -9.351 86.784 -99.200 -91.000 TYR 85 0.840 7.487 -0.985 94.201 -99.200 -91.000 PHE 96 1.000 10.154 -4.574 79.885 -99.200 -91.000 HIS 105 0.900 22.569 -5.430 95.814 -99.200 -91.000 PHE 108 1.000 16.767 -15.071 103.400 -99.200 -91.000 HIS 123 0.900 2.841 -12.996 91.541 -99.200 -91.000 HIS 142 0.900 25.490 -24.815 105.892 -99.200 -91.000 PHE 161 1.000 14.807 -14.482 97.995 -99.200 -91.000 TYR 169 0.840 10.335 -16.304 86.139 -99.200 -91.000 HIS 178 0.900 25.497 -12.379 87.739 -99.200 -91.000 TYR 181 0.840 32.926 -18.726 92.750 -99.200 -91.000 PHE 188 1.000 32.407 -24.008 90.749 -99.200 -91.000 HIS 191 0.900 26.798 -29.598 86.715 -99.200 -91.000 HIS 208 0.900 20.736 -13.988 86.980 -99.200 -91.000 PHE 221 1.000 36.719 -8.204 70.414 -99.200 -91.000 HIS 235 0.900 32.106 -28.464 77.979 -99.200 -91.000 PHE 260 1.000 25.740 -5.293 66.326 -99.200 -91.000 PHE 275 1.000 29.261 7.565 52.909 -99.200 -91.000 TYR 280 0.840 28.728 0.419 59.515 -99.200 -91.000 PHE 299 1.000 20.916 -21.790 76.122 -99.200 -91.000