============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 3 1.000 30.114 31.902 11.427 -99.200 -91.000 TYR 8 0.840 30.871 30.401 29.053 -99.200 -91.000 TYR 10 0.840 31.063 33.467 34.266 -99.200 -91.000 HIS 12 0.900 28.817 38.095 39.820 -99.200 -91.000 HIS 26 0.900 39.573 39.990 25.821 -99.200 -91.000 HIS 27 0.900 46.299 32.564 23.331 -99.200 -91.000 HIS 28 0.900 42.719 30.431 21.631 -99.200 -91.000 HIS 29 0.900 42.002 39.240 19.043 -99.200 -91.000 HIS 37 0.900 27.326 38.201 31.890 -99.200 -91.000 HIS 39 0.900 23.596 40.686 34.353 -99.200 -91.000 HIS 42 0.900 21.002 39.526 43.836 -99.200 -91.000 HIS 60 0.900 43.318 22.851 22.374 -99.200 -91.000 PHE 61 1.000 37.999 30.436 22.291 -99.200 -91.000 HIS 73 0.900 23.769 23.721 34.073 -99.200 -91.000 HIS 75 0.900 25.280 22.338 23.523 -99.200 -91.000