============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 4 1.000 -0.728 84.693 -9.240 -99.200 -91.000 TYR 6 0.840 1.090 85.945 -2.230 -99.200 -91.000 PHE 7 1.000 8.465 88.970 -0.891 -99.200 -91.000 TYR 9 0.840 4.241 91.607 3.142 -99.200 -91.000 HIS 19 0.900 -0.446 74.221 0.471 -99.200 -91.000 PHE 27 1.000 9.899 77.147 -1.144 -99.200 -91.000 PHE 28 1.000 9.792 80.103 -8.853 -99.200 -91.000 PHE 36 1.000 9.000 97.826 -0.782 -99.200 -91.000 PHE 40 1.000 3.926 92.590 12.115 -99.200 -91.000 TRP 51 1.040 -4.759 86.995 11.069 -99.200 -91.000 TRP6 51 1.020 -3.859 84.892 11.663 -99.200 -91.000 HIS 52 0.900 -9.788 88.564 17.769 -99.200 -91.000 PHE 59 1.000 7.276 101.786 6.409 -99.200 -91.000 TRP 67 1.040 15.934 88.177 3.850 -99.200 -91.000 TRP6 67 1.020 16.928 86.886 2.126 -99.200 -91.000 TRP 71 1.040 3.687 81.173 -0.934 -99.200 -91.000 TRP6 71 1.020 3.888 78.953 -0.151 -99.200 -91.000 TYR 92 0.840 -3.003 93.783 3.403 -99.200 -91.000 TYR 112 0.840 -2.338 90.889 -2.753 -99.200 -91.000 TYR 117 0.840 0.110 100.926 7.957 -99.200 -91.000 TYR 126 0.840 -0.539 88.445 11.404 -99.200 -91.000 TYR 143 0.840 12.809 88.841 7.711 -99.200 -91.000 TYR 155 0.840 -7.296 88.059 21.276 -99.200 -91.000