============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 8 1.000 -64.693 -2.891 1.686 -99.200 -91.000 HIS 12 0.900 -60.627 -3.514 4.955 -99.200 -91.000 TYR 25 0.840 -60.388 4.795 14.490 -99.200 -91.000 PHE 46 1.000 -60.918 -0.179 10.958 -99.200 -91.000 HIS 48 0.900 -62.303 7.113 9.358 -99.200 -91.000 TYR 73 0.840 -64.108 -1.745 -10.894 -99.200 -91.000 TYR 76 0.840 -63.357 7.991 -11.726 -99.200 -91.000 TYR 92 0.840 -53.765 -13.638 20.623 -99.200 -91.000 TYR 97 0.840 -53.434 -3.355 15.696 -99.200 -91.000 HIS 105 0.900 -56.815 9.366 -5.629 -99.200 -91.000 TYR 115 0.840 -68.845 -5.037 -10.020 -99.200 -91.000 HIS 119 0.900 -58.559 -7.787 -1.017 -99.200 -91.000 PHE 120 1.000 -58.449 -0.391 1.652 -99.200 -91.000