============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 5 0.840 22.798 17.393 40.923 -99.200 -91.000 TYR 11 0.840 9.179 20.400 42.798 -99.200 -91.000 PHE 14 1.000 12.079 32.374 38.917 -99.200 -91.000 TYR 16 0.840 17.507 22.529 38.820 -99.200 -91.000 TYR 31 0.840 9.233 40.175 35.035 -99.200 -91.000 TRP 37 1.040 3.359 39.460 30.573 -99.200 -91.000 TRP6 37 1.020 5.497 38.752 31.345 -99.200 -91.000 HIS 43 0.900 -6.017 23.717 43.434 -99.200 -91.000 TYR 53 0.840 -5.142 21.867 29.726 -99.200 -91.000 TRP 54 1.040 -0.541 21.899 37.391 -99.200 -91.000 TRP6 54 1.020 0.739 22.627 39.219 -99.200 -91.000 TYR 55 0.840 -7.849 19.855 40.533 -99.200 -91.000 TRP 57 1.040 -7.439 30.613 44.568 -99.200 -91.000 TRP6 57 1.020 -8.643 29.408 46.196 -99.200 -91.000 PHE 61 1.000 -6.267 36.523 41.156 -99.200 -91.000 PHE 62 1.000 -8.381 37.878 32.796 -99.200 -91.000 TYR 81 0.840 -8.356 23.048 46.565 -99.200 -91.000 HIS 84 0.900 -4.646 19.759 45.594 -99.200 -91.000 TYR 91 0.840 -3.360 32.689 32.085 -99.200 -91.000 TYR 94 0.840 -1.025 42.818 23.572 -99.200 -91.000 PHE 102 1.000 7.042 32.109 41.097 -99.200 -91.000 TYR 105 0.840 3.670 22.984 49.985 -99.200 -91.000