============================================================================= 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 28.398 355.110 -79.905 -99.200 -91.000 PHE 27 1.000 36.741 337.113 -88.042 -99.200 -91.000 TYR 31 0.840 34.535 334.415 -82.362 -99.200 -91.000 PHE 35 1.000 35.600 337.566 -79.328 -99.200 -91.000 TYR 36 0.840 31.301 339.861 -79.631 -99.200 -91.000 TYR 50 0.840 36.300 353.112 -87.297 -99.200 -91.000 PHE 51 1.000 38.626 352.356 -98.038 -99.200 -91.000 HIS 65 0.900 50.596 334.770 -69.145 -99.200 -91.000 TYR 73 0.840 44.252 332.255 -79.951 -99.200 -91.000 TYR 82 0.840 34.709 348.390 -97.839 -99.200 -91.000 HIS 93 0.900 46.814 348.478 -82.377 -99.200 -91.000 PHE 104 1.000 52.624 339.809 -75.333 -99.200 -91.000 TYR 108 0.840 48.709 330.743 -79.788 -99.200 -91.000 HIS 110 0.900 44.267 327.376 -82.980 -99.200 -91.000 PHE 121 1.000 47.247 339.557 -93.096 -99.200 -91.000 TYR 122 0.840 47.410 336.021 -89.832 -99.200 -91.000 PHE 125 1.000 52.024 341.388 -92.231 -99.200 -91.000 PHE 127 1.000 51.720 335.714 -87.403 -99.200 -91.000 TYR 136 0.840 40.892 325.205 -82.980 -99.200 -91.000 TYR 137 0.840 38.183 326.218 -87.048 -99.200 -91.000 HIS 146 0.900 47.339 324.505 -92.214 -99.200 -91.000