============================================================================= 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. TYR 3 0.840 48.492 8.324 4.631 -99.200 -91.000 PHE 4 1.000 50.388 -2.311 6.444 -99.200 -91.000 HIS 8 0.900 42.373 -8.928 9.691 -99.200 -91.000 PHE 35 1.000 37.419 4.105 1.693 -99.200 -91.000 PHE 40 1.000 37.750 1.128 9.924 -99.200 -91.000 PHE 49 1.000 28.784 -15.431 3.392 -99.200 -91.000 TYR 55 0.840 22.759 -24.636 9.920 -99.200 -91.000 TYR 66 0.840 23.585 -19.265 13.570 -99.200 -91.000 HIS 68 0.900 28.383 -13.092 15.280 -99.200 -91.000 TYR 118 0.840 47.000 -6.226 13.639 -99.200 -91.000