============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 3 1.000 -14.189 43.831 36.059 -99.200 -91.000 HIS 6 0.900 -10.032 34.646 32.038 -99.200 -91.000 PHE 9 1.000 -24.977 29.483 31.440 -99.200 -91.000 PHE 13 1.000 -16.066 22.794 25.636 -99.200 -91.000 TYR 35 0.840 -24.461 36.296 21.827 -99.200 -91.000 HIS 36 0.900 -19.921 35.192 23.960 -99.200 -91.000 HIS 54 0.900 -14.042 28.029 39.094 -99.200 -91.000 PHE 60 1.000 -19.952 38.342 43.531 -99.200 -91.000 PHE 81 1.000 -30.027 28.533 34.721 -99.200 -91.000