============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 8 0.840 20.446 62.916 -21.814 -99.200 -91.000 HIS 12 0.900 20.110 63.276 -10.775 -99.200 -91.000 PHE 61 1.000 4.111 70.775 -26.988 -99.200 -91.000 HIS 79 0.900 3.474 53.026 -40.660 -99.200 -91.000 PHE 116 1.000 3.810 68.633 -13.651 -99.200 -91.000 TYR 158 0.840 -19.408 66.521 -29.157 -99.200 -91.000 TYR 171 0.840 -12.068 76.197 -20.749 -99.200 -91.000 PHE 176 1.000 2.644 74.615 -12.270 -99.200 -91.000 HIS 181 0.900 9.647 86.969 -20.736 -99.200 -91.000 HIS 218 0.900 -11.463 46.831 -1.725 -99.200 -91.000 TYR 227 0.840 3.777 53.246 2.812 -99.200 -91.000 HIS 232 0.900 11.470 46.298 4.237 -99.200 -91.000 PHE 243 1.000 11.052 65.873 10.009 -99.200 -91.000 TYR 250 0.840 15.466 61.559 -0.662 -99.200 -91.000