============================================================================= 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 19 1.000 27.555 24.971 90.126 -99.200 -91.000 HIS 25 0.900 34.895 3.859 76.942 -99.200 -91.000 TYR 50 0.840 21.542 28.629 73.173 -99.200 -91.000 TYR 95 0.840 12.100 18.156 72.833 -99.200 -91.000 PHE 104 1.000 22.112 13.636 87.048 -99.200 -91.000 HIS 105 0.900 12.982 12.663 92.582 -99.200 -91.000 HIS 109 0.900 11.181 23.624 84.816 -99.200 -91.000 TYR 110 0.840 14.653 23.716 88.088 -99.200 -91.000 PHE 122 1.000 19.421 9.395 62.365 -99.200 -91.000 HIS 144 0.900 41.339 17.922 85.652 -99.200 -91.000 PHE 146 1.000 30.929 18.191 81.928 -99.200 -91.000 HIS 159 0.900 39.797 21.068 83.746 -99.200 -91.000 TYR 162 0.840 40.855 33.882 86.123 -99.200 -91.000 HIS 183 0.900 35.400 32.723 62.170 -99.200 -91.000