============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 5 0.900 35.681 20.531 65.067 -99.200 -91.000 TYR 6 0.840 43.895 15.571 60.024 -99.200 -91.000 PHE 47 1.000 38.641 0.942 75.664 -99.200 -91.000 TYR 52 0.840 26.646 9.170 65.536 -99.200 -91.000 TYR 64 0.840 24.516 -0.525 68.427 -99.200 -91.000 HIS 65 0.900 20.669 5.688 65.787 -99.200 -91.000 TYR 90 0.840 32.734 7.863 53.075 -99.200 -91.000 TYR 123 0.840 34.604 10.965 68.133 -99.200 -91.000 HIS 130 0.900 34.934 23.119 71.392 -99.200 -91.000 HIS 131 0.900 41.741 19.419 72.370 -99.200 -91.000