============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 -19.554 -49.073 -35.796 -99.200 -91.000 PHE 29 1.000 -22.338 -45.423 -40.848 -99.200 -91.000 TYR 32 0.840 -18.497 -45.871 -31.309 -99.200 -91.000 TYR 33 0.840 -17.171 -37.090 -35.011 -99.200 -91.000 TRP 36 1.040 -13.540 -41.036 -45.457 -99.200 -91.000 TRP6 36 1.020 -13.440 -42.905 -46.886 -99.200 -91.000 TRP 47 1.040 -7.797 -36.694 -40.070 -99.200 -91.000 TRP6 47 1.020 -9.004 -34.692 -40.064 -99.200 -91.000 TYR 59 0.840 -16.282 -31.024 -36.860 -99.200 -91.000 PHE 64 1.000 -6.748 -33.831 -48.494 -99.200 -91.000 TYR 80 0.840 -21.840 -43.859 -50.224 -99.200 -91.000 TYR 93 0.840 -7.526 -41.201 -51.847 -99.200 -91.000 PHE 94 1.000 -4.888 -47.095 -45.593 -99.200 -91.000 TYR 100 0.840 -17.178 -38.383 -28.669 -99.200 -91.000 PHE 102 1.000 -11.951 -40.213 -18.160 -99.200 -91.000 TYR 110 0.840 -12.540 -52.285 -34.010 -99.200 -91.000 TRP 111 1.040 -7.048 -48.207 -38.829 -99.200 -91.000 TRP6 111 1.020 -6.162 -46.364 -39.973 -99.200 -91.000 TYR 130 0.840 7.828 -62.117 -71.365 -99.200 -91.000 TYR 153 0.840 1.772 -54.878 -63.495 -99.200 -91.000 PHE 154 1.000 -1.472 -47.328 -65.679 -99.200 -91.000 TRP 162 1.040 6.829 -68.080 -57.035 -99.200 -91.000 TRP6 162 1.020 7.938 -68.580 -59.048 -99.200 -91.000 HIS 172 0.900 13.364 -62.851 -51.123 -99.200 -91.000 PHE 174 1.000 12.934 -58.588 -55.555 -99.200 -91.000 TYR 183 0.840 2.461 -49.466 -62.151 -99.200 -91.000 TRP 196 1.040 12.901 -76.041 -62.432 -99.200 -91.000 TRP6 196 1.020 14.707 -75.334 -63.765 -99.200 -91.000 HIS 207 0.900 -3.709 -56.151 -64.286 -99.200 -91.000