============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 60.974 -5.247 49.934 -99.200 -91.000 PHE 29 1.000 49.815 -7.328 45.802 -99.200 -91.000 TYR 32 0.840 42.195 1.163 52.053 -99.200 -91.000 TRP 36 1.040 42.789 -10.325 40.436 -99.200 -91.000 TRP6 36 1.020 44.618 -10.547 38.953 -99.200 -91.000 TRP 47 1.040 35.627 -5.177 41.521 -99.200 -91.000 TRP6 47 1.020 34.098 -6.114 43.061 -99.200 -91.000 TRP 50 1.040 37.132 -7.183 47.741 -99.200 -91.000 TRP6 50 1.020 38.182 -6.818 49.829 -99.200 -91.000 TYR 54 0.840 47.077 -7.065 56.339 -99.200 -91.000 TYR 60 0.840 36.346 -15.482 43.732 -99.200 -91.000 PHE 64 1.000 33.645 -11.348 36.080 -99.200 -91.000 PHE 68 1.000 35.988 -16.017 35.849 -99.200 -91.000 PHE 70 1.000 39.455 -12.736 42.145 -99.200 -91.000 TYR 80 0.840 50.597 -16.577 41.257 -99.200 -91.000 TYR 93 0.840 40.805 -11.794 32.116 -99.200 -91.000 PHE 94 1.000 43.656 -3.284 32.082 -99.200 -91.000 TYR 98 0.840 41.761 0.846 47.243 -99.200 -91.000 TYR 105 0.840 50.162 2.797 44.305 -99.200 -91.000 TRP 106 1.040 44.461 1.078 38.055 -99.200 -91.000 TRP6 106 1.020 42.624 -0.188 37.247 -99.200 -91.000 PHE 125 1.000 56.388 -10.798 3.044 -99.200 -91.000 TYR 148 0.840 50.524 -10.692 13.852 -99.200 -91.000 PHE 149 1.000 45.572 -17.026 16.670 -99.200 -91.000 TRP 157 1.040 59.709 1.856 12.308 -99.200 -91.000 TRP6 157 1.020 60.350 1.047 10.182 -99.200 -91.000 HIS 167 0.900 50.815 7.834 12.496 -99.200 -91.000 PHE 169 1.000 48.331 2.578 9.688 -99.200 -91.000 TYR 179 0.840 44.676 -11.345 14.817 -99.200 -91.000 TYR 197 0.840 65.301 5.884 7.481 -99.200 -91.000 HIS 203 0.900 53.894 -13.790 17.082 -99.200 -91.000