============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 1.926 -27.087 1.882 -99.200 -91.000 TYR 16 0.840 -2.582 -39.018 8.118 -99.200 -91.000 PHE 21 1.000 6.228 -35.052 18.923 -99.200 -91.000 PHE 24 1.000 11.415 -34.179 15.636 -99.200 -91.000 TYR 28 0.840 15.994 -36.354 12.861 -99.200 -91.000 TYR 34 0.840 15.548 -29.292 22.179 -99.200 -91.000 PHE 35 1.000 9.315 -32.268 22.505 -99.200 -91.000 TYR 38 0.840 7.177 -36.326 24.740 -99.200 -91.000 PHE 52 1.000 3.190 -38.678 21.901 -99.200 -91.000 HIS 55 0.900 3.779 -31.000 22.210 -99.200 -91.000 PHE 60 1.000 1.868 -33.075 13.221 -99.200 -91.000 HIS 89 0.900 7.951 -23.588 19.530 -99.200 -91.000 PHE 97 1.000 10.752 -24.842 14.779 -99.200 -91.000 PHE 101 1.000 7.955 -28.857 8.921 -99.200 -91.000 TYR 107 0.840 3.501 -40.660 8.274 -99.200 -91.000 PHE 115 1.000 0.377 -37.882 3.231 -99.200 -91.000 TRP 120 1.040 3.308 -31.508 2.991 -99.200 -91.000 TRP6 120 1.020 2.354 -30.233 4.748 -99.200 -91.000 PHE 123 1.000 4.747 -25.367 5.888 -99.200 -91.000