============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 3 0.840 20.423 14.241 35.092 -99.200 -91.000 TYR 9 0.840 32.267 18.772 26.281 -99.200 -91.000 PHE 10 1.000 29.171 21.596 32.107 -99.200 -91.000 PHE 19 1.000 22.561 30.282 40.970 -99.200 -91.000 PHE 20 1.000 26.778 26.912 31.283 -99.200 -91.000 PHE 30 1.000 15.374 39.631 25.283 -99.200 -91.000 HIS 31 0.900 18.992 37.411 22.350 -99.200 -91.000 TYR 33 0.840 10.588 30.319 22.287 -99.200 -91.000 PHE 49 1.000 5.993 27.739 19.946 -99.200 -91.000 PHE 59 1.000 20.904 18.751 32.643 -99.200 -91.000 TYR 71 0.840 -1.219 47.268 10.159 -99.200 -91.000 TYR 73 0.840 0.478 41.219 13.649 -99.200 -91.000 HIS 82 0.900 7.648 37.372 34.694 -99.200 -91.000 TYR 89 0.840 23.823 18.645 36.594 -99.200 -91.000 TYR 100 0.840 11.327 46.634 29.716 -99.200 -91.000 TYR 106 0.840 19.238 45.127 30.495 -99.200 -91.000 TYR 110 0.840 14.776 37.869 39.243 -99.200 -91.000