============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 4 1.000 30.952 50.182 25.983 -99.200 -91.000 TYR 33 0.840 23.852 47.505 22.620 -99.200 -91.000 TYR 36 0.840 13.942 51.865 16.560 -99.200 -91.000 TYR 75 0.840 26.815 58.729 7.532 -99.200 -91.000 HIS 86 0.900 9.769 46.593 7.884 -99.200 -91.000 TYR 94 0.840 22.520 54.599 19.521 -99.200 -91.000 TYR 97 0.840 30.625 60.076 13.277 -99.200 -91.000 HIS 99 0.900 29.493 67.256 11.197 -99.200 -91.000