============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 1 1.000 43.685 -32.528 -71.082 -99.200 -91.000 HIS 7 0.900 34.127 -47.802 -71.713 -99.200 -91.000 TYR 31 0.840 49.004 -28.740 -74.525 -99.200 -91.000 TYR 32 0.840 55.716 -34.166 -79.057 -99.200 -91.000 TRP 35 1.040 48.474 -43.677 -78.884 -99.200 -91.000 TRP6 35 1.020 46.166 -44.061 -78.589 -99.200 -91.000 TYR 36 0.840 51.824 -44.616 -71.587 -99.200 -91.000 PHE 49 1.000 59.215 -41.906 -77.656 -99.200 -91.000 PHE 62 1.000 51.331 -52.638 -81.535 -99.200 -91.000 TYR 86 0.840 46.744 -51.983 -77.095 -99.200 -91.000 TYR 87 0.840 44.695 -47.815 -69.668 -99.200 -91.000 TYR 91 0.840 52.151 -32.662 -72.685 -99.200 -91.000 TYR 94 0.840 49.168 -28.042 -62.024 -99.200 -91.000 PHE 98 1.000 48.069 -42.111 -67.814 -99.200 -91.000 PHE 119 1.000 42.463 -80.171 -55.372 -99.200 -91.000 PHE 140 1.000 36.662 -69.875 -68.202 -99.200 -91.000 TYR 141 0.840 38.345 -66.586 -76.308 -99.200 -91.000 TRP 149 1.040 29.755 -74.155 -55.608 -99.200 -91.000 TRP6 149 1.020 31.519 -75.649 -55.098 -99.200 -91.000 TYR 173 0.840 38.797 -64.461 -70.535 -99.200 -91.000 TYR 178 0.840 38.231 -70.511 -53.146 -99.200 -91.000 TRP 186 1.040 33.035 -83.102 -45.889 -99.200 -91.000 TRP6 186 1.020 32.961 -83.219 -48.243 -99.200 -91.000 HIS 189 0.900 23.969 -82.346 -47.451 -99.200 -91.000 TYR 192 0.840 28.048 -80.630 -50.105 -99.200 -91.000 HIS 198 0.900 32.988 -71.699 -71.893 -99.200 -91.000