============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 5 0.840 5.490 -7.791 -2.351 -99.200 -91.000 PHE 12 1.000 0.563 -7.811 -2.462 -99.200 -91.000 PHE 40 1.000 -7.909 -16.675 -8.551 -99.200 -91.000 PHE 44 1.000 1.095 -9.002 -13.560 -99.200 -91.000 PHE 48 1.000 0.360 0.721 -5.037 -99.200 -91.000 PHE 55 1.000 -2.855 -10.988 -18.217 -99.200 -91.000 HIS 56 0.900 -9.886 -8.543 -14.394 -99.200 -91.000 PHE 57 1.000 -5.157 -15.885 -14.915 -99.200 -91.000 PHE 61 1.000 -12.784 -21.501 -8.981 -99.200 -91.000 TYR 66 0.840 -16.761 -17.720 -17.432 -99.200 -91.000 TRP 77 1.040 -13.598 -3.474 -16.926 -99.200 -91.000 TRP6 77 1.020 -11.678 -4.641 -16.228 -99.200 -91.000 HIS 85 0.900 -8.527 -26.322 -18.600 -99.200 -91.000 PHE 88 1.000 -5.940 -20.966 -11.366 -99.200 -91.000 PHE 94 1.000 -3.598 -20.323 -7.474 -99.200 -91.000 PHE 98 1.000 0.151 -13.917 -13.952 -99.200 -91.000 PHE 105 1.000 1.465 -9.341 -18.983 -99.200 -91.000 PHE 114 1.000 -5.896 -21.065 -18.360 -99.200 -91.000 TYR 117 0.840 -4.599 -9.926 -22.263 -99.200 -91.000 PHE 118 1.000 0.046 -12.282 -28.913 -99.200 -91.000 HIS 119 0.900 2.764 -7.240 -23.286 -99.200 -91.000 PHE 123 1.000 7.495 -5.143 -22.514 -99.200 -91.000 HIS 124 0.900 7.193 1.474 -21.535 -99.200 -91.000 TYR 139 0.840 5.748 -18.410 -3.450 -99.200 -91.000 PHE 142 1.000 7.910 -9.472 -7.479 -99.200 -91.000