============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 3 0.900 15.292 23.466 32.986 -99.200 -91.000 TYR 19 0.840 -0.163 18.896 46.769 -99.200 -91.000 PHE 21 1.000 4.837 8.650 50.435 -99.200 -91.000 TYR 57 0.840 -2.181 6.045 38.249 -99.200 -91.000 TRP 66 1.040 -0.635 14.875 36.210 -99.200 -91.000 TRP6 66 1.020 0.611 13.606 34.621 -99.200 -91.000 HIS 67 0.900 -4.414 9.388 40.846 -99.200 -91.000