============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 4 1.000 47.239 -22.369 -12.010 -99.200 -91.000 PHE 7 1.000 46.937 -21.922 -4.741 -99.200 -91.000 HIS 13 0.900 66.006 -16.838 -12.864 -99.200 -91.000 TYR 16 0.840 72.804 -21.912 -5.295 -99.200 -91.000 PHE 17 1.000 77.497 -14.797 -1.978 -99.200 -91.000 TRP 60 1.040 20.708 -12.833 28.048 -99.200 -91.000 TRP6 60 1.020 22.164 -11.349 26.910 -99.200 -91.000 TYR 68 0.840 31.316 -15.293 26.870 -99.200 -91.000 PHE 80 1.000 46.778 -27.332 30.791 -99.200 -91.000 HIS 84 0.900 49.593 -29.713 27.600 -99.200 -91.000 PHE 97 1.000 35.504 -22.445 36.918 -99.200 -91.000 TYR 104 0.840 40.881 -11.065 34.990 -99.200 -91.000 HIS 119 0.900 22.544 -21.844 19.512 -99.200 -91.000 TYR 126 0.840 27.629 -9.205 8.833 -99.200 -91.000 PHE 127 1.000 30.316 -16.364 12.783 -99.200 -91.000 PHE 158 1.000 26.682 -9.120 23.085 -99.200 -91.000 PHE 159 1.000 31.222 -11.009 29.687 -99.200 -91.000 TYR 165 0.840 37.678 -3.908 29.649 -99.200 -91.000 TYR 178 0.840 44.721 -17.547 36.578 -99.200 -91.000