============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 3 0.840 -1.462 45.924 35.789 -99.200 -91.000 TYR 25 0.840 12.096 43.681 31.588 -99.200 -91.000 TYR 39 0.840 14.827 34.508 23.104 -99.200 -91.000 PHE 65 1.000 15.196 48.468 16.252 -99.200 -91.000 TYR 75 0.840 4.495 48.564 15.310 -99.200 -91.000 TYR 82 0.840 9.457 46.223 34.144 -99.200 -91.000 HIS 92 0.900 5.267 35.291 16.726 -99.200 -91.000