============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 5 0.840 46.494 11.013 49.995 -99.200 -91.000 PHE 6 1.000 39.465 6.514 48.493 -99.200 -91.000 TYR 13 0.840 32.961 13.382 35.031 -99.200 -91.000 PHE 17 1.000 24.584 5.382 35.779 -99.200 -91.000 TYR 29 0.840 18.576 -1.592 39.659 -99.200 -91.000 PHE 40 1.000 30.086 0.573 35.753 -99.200 -91.000 PHE 43 1.000 36.324 -2.786 32.831 -99.200 -91.000 TRP 52 1.040 13.495 0.196 46.205 -99.200 -91.000 TRP6 52 1.020 13.651 -0.863 44.085 -99.200 -91.000 PHE 64 1.000 15.152 12.289 42.708 -99.200 -91.000 PHE 78 1.000 20.550 10.363 43.866 -99.200 -91.000 TRP 80 1.040 27.318 8.198 43.963 -99.200 -91.000 TRP6 80 1.020 25.685 8.102 45.691 -99.200 -91.000 TYR 83 0.840 33.831 6.334 36.850 -99.200 -91.000 PHE 105 1.000 23.275 -13.652 34.349 -99.200 -91.000 PHE 111 1.000 17.645 -0.437 33.982 -99.200 -91.000 TYR 118 0.840 25.533 8.335 31.896 -99.200 -91.000 PHE 121 1.000 25.306 15.325 36.615 -99.200 -91.000