============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 6 1.000 24.779 19.100 45.290 -99.200 -91.000 HIS 8 0.900 24.162 13.844 36.258 -99.200 -91.000 TYR 20 0.840 37.300 11.897 45.432 -99.200 -91.000 PHE 22 1.000 35.405 23.304 41.597 -99.200 -91.000 TYR 24 0.840 43.343 17.300 46.174 -99.200 -91.000 TYR 30 0.840 39.228 27.681 43.028 -99.200 -91.000 PHE 48 1.000 36.708 -1.369 35.700 -99.200 -91.000 TYR 52 0.840 42.287 0.418 36.918 -99.200 -91.000 PHE 53 1.000 41.956 5.078 38.050 -99.200 -91.000 HIS 77 0.900 23.884 19.232 38.931 -99.200 -91.000 PHE 80 1.000 17.514 26.102 40.609 -99.200 -91.000 TYR 93 0.840 31.693 30.077 46.448 -99.200 -91.000 HIS 98 0.900 29.438 17.624 29.684 -99.200 -91.000 HIS 99 0.900 25.369 18.191 30.761 -99.200 -91.000 PHE 104 1.000 22.126 28.261 37.496 -99.200 -91.000 TYR 111 0.840 34.253 32.312 41.991 -99.200 -91.000 TYR 125 0.840 44.302 17.631 33.045 -99.200 -91.000 PHE 128 1.000 42.738 19.138 40.363 -99.200 -91.000 HIS 131 0.900 42.921 28.106 39.792 -99.200 -91.000 HIS 160 0.900 36.835 21.783 22.094 -99.200 -91.000 TYR 181 0.840 40.377 3.025 33.316 -99.200 -91.000 PHE 208 1.000 15.171 14.476 24.713 -99.200 -91.000 TYR 248 0.840 6.802 8.159 27.942 -99.200 -91.000 PHE 251 1.000 10.807 3.669 25.461 -99.200 -91.000 PHE 279 1.000 17.328 8.645 13.706 -99.200 -91.000 PHE 281 1.000 16.158 4.026 11.175 -99.200 -91.000 HIS 287 0.900 15.441 -4.896 14.829 -99.200 -91.000 PHE 289 1.000 24.330 -0.729 11.848 -99.200 -91.000 PHE 308 1.000 8.234 13.034 16.247 -99.200 -91.000