============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 15 1.000 64.548 17.856 10.867 -99.200 -91.000 HIS 22 0.900 65.646 15.422 23.101 -99.200 -91.000 HIS 35 0.900 52.061 5.910 13.719 -99.200 -91.000 PHE 36 1.000 59.463 10.265 11.285 -99.200 -91.000 PHE 61 1.000 64.093 11.960 12.577 -99.200 -91.000 HIS 68 0.900 54.203 2.647 11.085 -99.200 -91.000 PHE 69 1.000 57.632 8.080 6.599 -99.200 -91.000 HIS 70 0.900 50.185 8.631 9.894 -99.200 -91.000 HIS 97 0.900 62.082 28.770 18.657 -99.200 -91.000 TYR 104 0.840 56.380 35.374 17.865 -99.200 -91.000 HIS 116 0.900 43.790 23.290 23.645 -99.200 -91.000