============================================================================= 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. PHE 23 1.000 -5.308 -21.345 50.851 -99.200 -91.000 PHE 44 1.000 -0.473 -40.896 35.293 -99.200 -91.000 TYR 57 0.840 -13.010 -46.452 49.415 -99.200 -91.000 TYR 59 0.840 -13.889 -35.101 52.363 -99.200 -91.000 HIS 69 0.900 -9.439 -11.738 46.140 -99.200 -91.000 PHE 79 1.000 -6.957 -11.757 40.248 -99.200 -91.000