============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 4 1.000 -13.114 -16.478 4.249 -99.200 -91.000 TYR 9 0.840 -7.930 -7.110 12.521 -99.200 -91.000 HIS 22 0.900 8.981 -3.773 40.720 -99.200 -91.000 PHE 25 1.000 7.827 -8.977 32.279 -99.200 -91.000 HIS 33 0.900 0.886 -18.906 35.929 -99.200 -91.000 HIS 42 0.900 -16.443 -13.357 37.043 -99.200 -91.000 PHE 44 1.000 -10.194 -17.201 32.919 -99.200 -91.000 PHE 64 1.000 -12.240 -20.296 29.839 -99.200 -91.000 HIS 68 0.900 -16.747 -19.803 30.188 -99.200 -91.000 TYR 72 0.840 -7.735 -26.783 26.196 -99.200 -91.000 HIS 75 0.900 -2.384 -18.006 27.175 -99.200 -91.000 PHE 77 1.000 5.021 -17.142 29.753 -99.200 -91.000 PHE 85 1.000 10.881 -3.490 33.737 -99.200 -91.000 TYR 86 0.840 10.379 -8.864 24.110 -99.200 -91.000 TYR 89 0.840 1.510 -13.462 26.826 -99.200 -91.000 PHE 92 1.000 0.528 -24.179 22.988 -99.200 -91.000 TYR 106 0.840 -2.188 -12.558 23.634 -99.200 -91.000 TYR 125 0.840 -7.069 -11.811 18.090 -99.200 -91.000 HIS 126 0.900 0.034 -15.018 13.529 -99.200 -91.000 TYR 146 0.840 -8.956 -0.158 29.099 -99.200 -91.000 PHE 148 1.000 -5.852 -9.955 33.717 -99.200 -91.000 TYR 149 0.840 -3.288 -1.826 31.869 -99.200 -91.000 TYR 155 0.840 -5.469 -6.878 44.673 -99.200 -91.000 PHE 163 1.000 2.370 -10.000 42.091 -99.200 -91.000