============================================================================= 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. TYR 3 0.840 -8.083 3.983 1.967 -99.200 -91.000 HIS 37 0.900 -12.385 18.469 10.962 -99.200 -91.000 TYR 38 0.840 -7.952 23.320 19.332 -99.200 -91.000 TYR 43 0.840 -13.531 14.838 26.844 -99.200 -91.000 TYR 48 0.840 1.824 22.530 24.711 -99.200 -91.000 PHE 63 1.000 -3.739 25.975 17.954 -99.200 -91.000 HIS 75 0.900 -6.075 5.109 23.604 -99.200 -91.000