============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 28 1.000 10.480 21.618 41.525 -99.200 -91.000 TYR 31 0.840 -1.187 20.458 34.898 -99.200 -91.000 PHE 39 1.000 0.706 27.646 44.601 -99.200 -91.000 PHE 44 1.000 -0.485 31.709 39.601 -99.200 -91.000 PHE 51 1.000 4.821 39.736 46.680 -99.200 -91.000 PHE 59 1.000 3.824 29.961 39.697 -99.200 -91.000 PHE 61 1.000 2.751 22.946 37.353 -99.200 -91.000 PHE 66 1.000 5.644 12.902 43.989 -99.200 -91.000 HIS 67 0.900 -1.427 12.558 43.105 -99.200 -91.000 TRP 82 1.040 6.691 26.702 27.785 -99.200 -91.000 TRP6 82 1.020 6.142 28.918 28.392 -99.200 -91.000 PHE 89 1.000 1.740 26.312 30.775 -99.200 -91.000 TRP 90 1.040 1.473 30.942 32.483 -99.200 -91.000 TRP6 90 1.020 2.196 29.528 34.249 -99.200 -91.000 PHE 92 1.000 -4.056 22.686 28.715 -99.200 -91.000 HIS 93 0.900 -0.516 25.357 35.511 -99.200 -91.000 PHE 97 1.000 -3.044 22.450 38.931 -99.200 -91.000 TRP 107 1.040 -8.985 13.677 37.560 -99.200 -91.000 TRP6 107 1.020 -8.411 15.675 36.430 -99.200 -91.000 PHE 137 1.000 5.348 18.464 22.660 -99.200 -91.000 TYR 160 0.840 12.810 24.448 45.749 -99.200 -91.000 PHE 169 1.000 -0.383 23.448 49.709 -99.200 -91.000 TYR 172 0.840 0.012 35.429 49.903 -99.200 -91.000