============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 3 1.000 -7.384 16.701 35.851 -99.200 -91.000 PHE 6 1.000 -5.205 17.044 42.467 -99.200 -91.000 HIS 13 0.900 -16.926 24.959 41.289 -99.200 -91.000 TYR 17 0.840 -9.201 38.926 32.692 -99.200 -91.000 HIS 18 0.900 -3.794 42.477 35.915 -99.200 -91.000 TRP 23 1.040 -11.392 29.869 34.815 -99.200 -91.000 TRP6 23 1.020 -13.085 29.348 36.382 -99.200 -91.000 TYR 35 0.840 -8.025 29.685 26.165 -99.200 -91.000 TYR 49 0.840 -5.217 24.581 36.618 -99.200 -91.000 PHE 53 1.000 -0.639 19.493 39.578 -99.200 -91.000 TRP 54 1.040 -3.896 13.766 36.676 -99.200 -91.000 TRP6 54 1.020 -4.078 13.773 39.048 -99.200 -91.000 TYR 57 0.840 5.640 19.767 36.097 -99.200 -91.000 PHE 67 1.000 -5.994 17.168 47.423 -99.200 -91.000 PHE 69 1.000 4.123 19.566 41.661 -99.200 -91.000 PHE 70 1.000 -4.011 22.998 41.257 -99.200 -91.000 HIS 76 0.900 5.570 29.866 45.512 -99.200 -91.000 TYR 78 0.840 1.732 24.565 36.224 -99.200 -91.000 PHE 116 1.000 6.150 21.492 47.783 -99.200 -91.000 PHE 123 1.000 10.872 30.673 44.374 -99.200 -91.000 TYR 124 0.840 5.788 34.543 48.986 -99.200 -91.000 TRP 129 1.040 2.641 32.367 50.106 -99.200 -91.000 TRP6 129 1.020 4.655 31.496 50.983 -99.200 -91.000 HIS 139 0.900 -2.338 17.838 58.275 -99.200 -91.000