============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 1 1.000 25.061 -57.977 -3.302 -99.200 -91.000 PHE 9 1.000 19.554 -47.244 10.216 -99.200 -91.000 HIS 13 0.900 13.526 -42.257 15.432 -99.200 -91.000 PHE 19 1.000 17.992 -41.739 15.575 -99.200 -91.000 TYR 21 0.840 17.110 -50.303 19.841 -99.200 -91.000 TYR 32 0.840 25.674 -40.645 12.675 -99.200 -91.000 HIS 33 0.900 30.432 -46.284 18.143 -99.200 -91.000 TYR 43 0.840 11.909 -33.599 11.540 -99.200 -91.000 PHE 45 1.000 21.492 -37.478 13.290 -99.200 -91.000 TYR 46 0.840 14.884 -36.665 8.580 -99.200 -91.000 HIS 47 0.900 20.943 -32.722 1.063 -99.200 -91.000 HIS 58 0.900 7.285 -36.307 13.009 -99.200 -91.000 TYR 72 0.840 15.128 -40.545 4.988 -99.200 -91.000 HIS 78 0.900 33.669 -40.777 10.687 -99.200 -91.000 TYR 81 0.840 23.956 -35.233 3.470 -99.200 -91.000 TRP 83 1.040 20.470 -40.994 -2.463 -99.200 -91.000 TRP6 83 1.020 18.655 -39.512 -2.610 -99.200 -91.000 TYR 92 0.840 -1.278 -44.992 17.862 -99.200 -91.000 TYR 107 0.840 13.440 -49.950 3.102 -99.200 -91.000