============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 5 0.840 38.763 21.522 28.978 -99.200 -91.000 PHE 6 1.000 39.493 29.472 32.432 -99.200 -91.000 PHE 12 1.000 47.977 27.958 28.837 -99.200 -91.000 TYR 22 0.840 48.189 23.424 22.885 -99.200 -91.000 HIS 30 0.900 54.743 37.114 22.570 -99.200 -91.000 TYR 54 0.840 61.839 35.446 30.219 -99.200 -91.000 PHE 55 1.000 60.402 29.899 27.762 -99.200 -91.000 TYR 77 0.840 60.739 35.022 20.517 -99.200 -91.000 HIS 96 0.900 49.930 30.007 32.257 -99.200 -91.000 PHE 97 1.000 52.571 34.682 25.630 -99.200 -91.000