============================================================================= 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 10 1.000 14.751 43.862 39.084 -99.200 -91.000 TYR 25 0.840 13.270 21.921 39.681 -99.200 -91.000 TRP 26 1.040 20.916 16.205 35.957 -99.200 -91.000 TRP6 26 1.020 19.638 16.076 33.969 -99.200 -91.000 HIS 28 0.900 15.975 18.120 44.977 -99.200 -91.000 PHE 29 1.000 17.530 12.068 36.394 -99.200 -91.000 TRP 35 1.040 17.107 8.401 47.837 -99.200 -91.000 TRP6 35 1.020 16.304 10.627 47.922 -99.200 -91.000 HIS 54 0.900 11.266 28.582 32.466 -99.200 -91.000 PHE 64 1.000 16.714 43.026 20.977 -99.200 -91.000 HIS 68 0.900 28.953 42.281 27.989 -99.200 -91.000 HIS 95 0.900 6.397 29.340 48.113 -99.200 -91.000 TYR 101 0.840 11.450 34.286 37.954 -99.200 -91.000 TYR 107 0.840 13.560 49.038 36.762 -99.200 -91.000 PHE 120 1.000 11.943 39.404 34.542 -99.200 -91.000 HIS 130 0.900 7.873 24.418 37.052 -99.200 -91.000 PHE 133 1.000 4.005 17.909 39.930 -99.200 -91.000 TYR 141 0.840 5.996 12.279 51.384 -99.200 -91.000 PHE 149 1.000 4.917 11.183 46.912 -99.200 -91.000