============================================================================= 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 -64.783 -2.994 1.629 -99.200 -91.000 HIS 12 0.900 -60.718 -3.621 4.979 -99.200 -91.000 TYR 20 0.840 -60.381 4.639 14.457 -99.200 -91.000 PHE 41 1.000 -60.910 -0.260 11.037 -99.200 -91.000 HIS 43 0.900 -62.398 6.880 9.421 -99.200 -91.000 TYR 68 0.840 -64.276 -1.719 -10.895 -99.200 -91.000 TYR 71 0.840 -63.599 8.008 -11.654 -99.200 -91.000 TYR 87 0.840 -53.792 -13.644 20.913 -99.200 -91.000 TYR 92 0.840 -53.438 -3.469 15.656 -99.200 -91.000 HIS 100 0.900 -56.971 9.384 -5.627 -99.200 -91.000 TYR 110 0.840 -69.016 -5.021 -10.072 -99.200 -91.000 HIS 114 0.900 -58.688 -7.858 -1.046 -99.200 -91.000 PHE 115 1.000 -58.457 -0.446 1.601 -99.200 -91.000