============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 10 1.000 17.166 57.041 3.991 -99.200 -91.000 PHE 14 1.000 31.565 50.473 -0.948 -99.200 -91.000 TRP 32 1.040 13.611 44.460 16.871 -99.200 -91.000 TRP6 32 1.020 12.796 43.368 14.963 -99.200 -91.000 TRP 41 1.040 17.063 26.176 9.758 -99.200 -91.000 TRP6 41 1.020 19.192 25.629 8.910 -99.200 -91.000 HIS 46 0.900 23.821 31.917 6.864 -99.200 -91.000 PHE 48 1.000 22.779 39.883 12.770 -99.200 -91.000 HIS 51 0.900 33.262 36.105 16.778 -99.200 -91.000 PHE 65 1.000 22.948 51.540 1.954 -99.200 -91.000 TRP 84 1.040 25.928 29.226 3.369 -99.200 -91.000 TRP6 84 1.020 25.007 27.321 4.390 -99.200 -91.000 TRP 89 1.040 24.804 30.374 -4.443 -99.200 -91.000 TRP6 89 1.020 23.198 31.068 -6.061 -99.200 -91.000 TYR 98 0.840 30.381 42.442 -6.136 -99.200 -91.000 TYR 99 0.840 27.986 34.351 -3.836 -99.200 -91.000 HIS 101 0.900 27.661 36.269 3.260 -99.200 -91.000 PHE 108 1.000 15.592 56.669 9.014 -99.200 -91.000 TYR 118 0.840 19.442 50.862 -8.507 -99.200 -91.000 PHE 119 1.000 26.362 51.429 -2.876 -99.200 -91.000 PHE 130 1.000 25.160 35.309 -12.980 -99.200 -91.000 TYR 145 0.840 15.825 38.181 -0.172 -99.200 -91.000 TYR 148 0.840 13.197 44.415 -2.299 -99.200 -91.000 PHE 150 1.000 18.159 39.636 -5.693 -99.200 -91.000 PHE 152 1.000 13.514 28.381 -6.721 -99.200 -91.000 PHE 159 1.000 19.855 28.513 4.431 -99.200 -91.000 TYR 160 0.840 12.549 27.783 -1.315 -99.200 -91.000 TYR 162 0.840 14.903 33.597 -3.943 -99.200 -91.000