============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 7 1.000 1.130 -77.904 10.860 -99.200 -91.000 PHE 19 1.000 13.080 -68.818 11.113 -99.200 -91.000 HIS 27 0.900 15.046 -68.430 17.862 -99.200 -91.000 HIS 42 0.900 18.913 -78.451 10.499 -99.200 -91.000 PHE 45 1.000 8.791 -78.330 14.042 -99.200 -91.000 HIS 48 0.900 11.777 -84.828 25.058 -99.200 -91.000 TYR 55 0.840 19.797 -69.957 24.169 -99.200 -91.000 TYR 57 0.840 17.627 -73.835 25.716 -99.200 -91.000 TRP 68 1.040 10.085 -77.443 21.199 -99.200 -91.000 TRP6 68 1.020 8.197 -76.164 21.831 -99.200 -91.000 TYR 76 0.840 7.259 -71.170 22.331 -99.200 -91.000 TYR 82 0.840 3.042 -74.740 24.997 -99.200 -91.000 PHE 90 1.000 6.721 -63.729 17.747 -99.200 -91.000 TYR 105 0.840 11.683 -71.535 6.409 -99.200 -91.000