============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 25 0.840 21.242 44.889 104.785 -99.200 -91.000 PHE 39 1.000 40.431 49.700 101.055 -99.200 -91.000 TYR 45 0.840 19.958 35.222 102.040 -99.200 -91.000 HIS 46 0.900 17.431 38.984 95.845 -99.200 -91.000 PHE 47 1.000 15.284 35.003 94.512 -99.200 -91.000 HIS 97 0.900 42.123 41.496 94.958 -99.200 -91.000