============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 21 1.000 43.812 22.582 10.268 -99.200 -91.000 PHE 44 1.000 37.474 13.321 4.678 -99.200 -91.000 PHE 49 1.000 47.907 20.426 6.218 -99.200 -91.000 TYR 55 0.840 48.378 19.164 -7.612 -99.200 -91.000 PHE 69 1.000 46.423 23.475 2.709 -99.200 -91.000 HIS 90 0.900 51.093 18.869 -15.847 -99.200 -91.000 HIS 93 0.900 48.463 8.604 -12.568 -99.200 -91.000 HIS 98 0.900 43.514 7.089 6.831 -99.200 -91.000 PHE 102 1.000 53.585 9.227 12.702 -99.200 -91.000