============================================================================= 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. TYR 10 0.840 -92.442 -38.160 -40.748 -99.200 -91.000 TYR 25 0.840 -82.782 -26.564 -24.393 -99.200 -91.000 PHE 26 1.000 -72.911 -23.265 -26.005 -99.200 -91.000 HIS 28 0.900 -83.120 -19.308 -24.307 -99.200 -91.000 PHE 32 1.000 -81.140 -18.758 -18.386 -99.200 -91.000 TRP 35 1.040 -78.522 -11.603 -17.690 -99.200 -91.000 TRP6 35 1.020 -80.445 -12.574 -18.668 -99.200 -91.000 TYR 45 0.840 -72.166 -26.960 -21.636 -99.200 -91.000 HIS 46 0.900 -77.374 -32.689 -18.939 -99.200 -91.000 HIS 54 0.900 -81.961 -36.114 -27.752 -99.200 -91.000 TYR 58 0.840 -83.287 -37.332 -34.730 -99.200 -91.000 PHE 64 1.000 -77.748 -48.950 -41.445 -99.200 -91.000 TYR 107 0.840 -93.890 -43.067 -43.032 -99.200 -91.000 HIS 112 0.900 -93.784 -53.531 -41.451 -99.200 -91.000 TYR 114 0.840 -91.312 -52.767 -36.830 -99.200 -91.000 HIS 130 0.900 -83.929 -32.383 -23.038 -99.200 -91.000 TRP 133 1.040 -84.856 -28.342 -15.239 -99.200 -91.000 TRP6 133 1.020 -84.232 -26.411 -16.465 -99.200 -91.000 TYR 149 0.840 -86.479 -19.739 -11.137 -99.200 -91.000