============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 11 1.000 -2.811 -5.378 -2.109 -99.200 -91.000 PHE 17 1.000 3.932 12.888 -3.867 -99.200 -91.000 HIS 24 0.900 6.678 14.589 -23.976 -99.200 -91.000 PHE 28 1.000 12.397 11.973 -14.509 -99.200 -91.000 HIS 45 0.900 7.780 -17.080 0.816 -99.200 -91.000 TRP 56 1.040 12.028 -6.035 -21.581 -99.200 -91.000 TRP6 56 1.020 13.752 -5.537 -23.125 -99.200 -91.000 PHE 59 1.000 9.186 1.587 -17.323 -99.200 -91.000 HIS 61 0.900 -1.320 1.789 -21.647 -99.200 -91.000 TYR 71 0.840 4.419 1.307 -7.422 -99.200 -91.000 PHE 74 1.000 1.492 -12.045 -6.379 -99.200 -91.000 TRP 77 1.040 10.476 -20.542 -9.360 -99.200 -91.000 TRP6 77 1.020 12.675 -20.321 -8.524 -99.200 -91.000 PHE 85 1.000 3.347 -10.219 -11.562 -99.200 -91.000 TYR 92 0.840 -8.403 10.977 -15.386 -99.200 -91.000 PHE 105 1.000 7.452 -12.879 -12.985 -99.200 -91.000 PHE 108 1.000 13.921 -8.418 -3.791 -99.200 -91.000 HIS 134 0.900 5.062 -21.728 -9.421 -99.200 -91.000 HIS 145 0.900 20.715 -21.468 -17.855 -99.200 -91.000 PHE 160 1.000 36.367 -1.352 -13.699 -99.200 -91.000