============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 28 1.000 64.623 -0.741 14.329 -99.200 -91.000 TYR 30 0.840 68.069 8.428 18.345 -99.200 -91.000 PHE 37 1.000 51.930 7.787 15.423 -99.200 -91.000 TYR 49 0.840 48.785 -0.401 22.210 -99.200 -91.000 TYR 51 0.840 47.239 -1.152 10.817 -99.200 -91.000 TYR 52 0.840 48.619 3.294 12.177 -99.200 -91.000 HIS 53 0.900 54.501 -1.794 15.947 -99.200 -91.000 TYR 55 0.840 60.198 0.945 13.354 -99.200 -91.000 TYR 80 0.840 50.691 5.859 6.874 -99.200 -91.000 TYR 81 0.840 60.038 11.775 6.156 -99.200 -91.000 HIS 85 0.900 57.921 15.336 17.936 -99.200 -91.000 TYR 86 0.840 55.860 11.743 16.351 -99.200 -91.000 PHE 89 1.000 52.246 10.926 10.796 -99.200 -91.000