============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 6 1.000 16.427 43.074 77.084 -99.200 -91.000 PHE 8 1.000 21.868 42.553 81.501 -99.200 -91.000 PHE 17 1.000 22.332 24.036 80.797 -99.200 -91.000 TYR 23 0.840 14.575 31.833 73.018 -99.200 -91.000 HIS 29 0.900 10.867 37.945 70.634 -99.200 -91.000 TYR 33 0.840 23.210 43.406 75.534 -99.200 -91.000 TYR 44 0.840 24.797 46.294 78.457 -99.200 -91.000 TYR 50 0.840 14.800 54.837 83.680 -99.200 -91.000 PHE 63 1.000 20.363 33.265 83.662 -99.200 -91.000 PHE 76 1.000 20.909 38.911 91.255 -99.200 -91.000 PHE 83 1.000 16.133 46.323 89.458 -99.200 -91.000 PHE 84 1.000 15.190 56.707 92.955 -99.200 -91.000 PHE 87 1.000 10.789 54.918 87.117 -99.200 -91.000 PHE 167 1.000 23.279 32.566 101.233 -99.200 -91.000 HIS 190 0.900 22.395 12.823 112.035 -99.200 -91.000 PHE 191 1.000 20.375 14.429 106.642 -99.200 -91.000 PHE 193 1.000 24.103 17.635 100.547 -99.200 -91.000 TRP 208 1.040 29.404 5.994 100.634 -99.200 -91.000 TRP6 208 1.020 27.214 5.223 100.197 -99.200 -91.000 TYR 220 0.840 25.729 19.325 94.760 -99.200 -91.000 TYR 240 0.840 23.748 2.433 96.124 -99.200 -91.000 PHE 246 1.000 18.526 11.856 96.388 -99.200 -91.000 HIS 259 0.900 18.543 27.770 84.104 -99.200 -91.000 PHE 267 1.000 9.713 36.786 81.126 -99.200 -91.000 PHE 274 1.000 12.380 33.692 91.371 -99.200 -91.000 TYR 280 0.840 16.124 24.757 99.850 -99.200 -91.000