============================================================================= 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 10 1.000 -48.345 25.003 7.440 -99.200 -91.000 TYR 31 0.840 -47.549 30.276 9.863 -99.200 -91.000 HIS 73 0.900 -37.160 43.707 1.033 -99.200 -91.000 HIS 79 0.900 -37.371 53.123 13.482 -99.200 -91.000 TYR 84 0.840 -43.758 49.832 19.145 -99.200 -91.000 HIS 91 0.900 -42.932 32.358 18.033 -99.200 -91.000 HIS 92 0.900 -34.829 38.909 19.023 -99.200 -91.000 HIS 93 0.900 -39.039 35.075 23.237 -99.200 -91.000