============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 14 0.900 29.853 356.432 -79.630 -99.200 -91.000 PHE 27 1.000 38.227 338.109 -87.927 -99.200 -91.000 TYR 31 0.840 35.899 335.527 -82.141 -99.200 -91.000 PHE 35 1.000 36.886 338.557 -78.957 -99.200 -91.000 TYR 36 0.840 32.720 341.011 -79.562 -99.200 -91.000 TYR 50 0.840 37.736 354.304 -87.157 -99.200 -91.000 PHE 51 1.000 40.141 353.616 -97.867 -99.200 -91.000 HIS 65 0.900 51.843 335.791 -68.999 -99.200 -91.000 TYR 73 0.840 45.359 333.346 -79.899 -99.200 -91.000 TYR 82 0.840 36.388 349.564 -97.710 -99.200 -91.000 HIS 93 0.900 48.499 349.757 -82.327 -99.200 -91.000 PHE 104 1.000 54.349 340.822 -75.278 -99.200 -91.000 TYR 108 0.840 49.965 331.862 -79.779 -99.200 -91.000 HIS 110 0.900 45.414 328.799 -82.914 -99.200 -91.000 PHE 121 1.000 48.854 340.789 -93.091 -99.200 -91.000 TYR 122 0.840 48.834 337.143 -89.808 -99.200 -91.000 PHE 125 1.000 53.598 342.512 -92.089 -99.200 -91.000 PHE 127 1.000 53.252 336.819 -87.296 -99.200 -91.000 TYR 136 0.840 41.873 326.732 -83.602 -99.200 -91.000 TYR 137 0.840 39.085 327.318 -87.514 -99.200 -91.000 HIS 146 0.900 48.834 325.599 -92.246 -99.200 -91.000