============================================================================= 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. PHE 27 1.000 38.798 0.801 23.393 -99.200 -91.000 PHE 29 1.000 37.243 2.270 17.242 -99.200 -91.000 TRP 33 1.040 27.724 -1.968 19.749 -99.200 -91.000 TRP6 33 1.020 25.367 -1.888 19.955 -99.200 -91.000 TRP 36 1.040 31.476 11.239 18.492 -99.200 -91.000 TRP6 36 1.020 33.434 12.429 19.085 -99.200 -91.000 TRP 47 1.040 23.815 8.800 22.888 -99.200 -91.000 TRP6 47 1.020 22.123 8.649 21.240 -99.200 -91.000 HIS 58 0.900 30.574 -1.345 10.357 -99.200 -91.000 TYR 62 0.840 23.337 10.055 13.411 -99.200 -91.000 PHE 70 1.000 25.954 17.500 15.308 -99.200 -91.000 TYR 82 0.840 37.293 9.509 11.655 -99.200 -91.000 TYR 96 0.840 30.003 18.303 20.666 -99.200 -91.000 TYR 97 0.840 33.467 15.098 28.028 -99.200 -91.000 PHE 108 1.000 27.730 5.720 26.923 -99.200 -91.000 TYR 110 0.840 37.798 1.090 28.437 -99.200 -91.000 TRP 111 1.040 33.131 8.190 29.815 -99.200 -91.000 TRP6 111 1.020 31.400 9.706 29.275 -99.200 -91.000 TYR 130 0.840 47.697 43.334 30.740 -99.200 -91.000 TYR 152 0.840 41.148 33.749 27.075 -99.200 -91.000 PHE 153 1.000 35.189 33.797 21.240 -99.200 -91.000 TRP 161 1.040 51.063 30.325 38.330 -99.200 -91.000 TRP6 161 1.020 51.648 32.611 38.462 -99.200 -91.000 HIS 171 0.900 43.234 28.187 44.917 -99.200 -91.000 PHE 173 1.000 40.500 32.285 41.221 -99.200 -91.000 TYR 182 0.840 35.542 33.006 26.762 -99.200 -91.000 TRP 195 1.040 58.051 36.941 43.652 -99.200 -91.000 TRP6 195 1.020 57.168 38.938 44.556 -99.200 -91.000 HIS 206 0.900 43.769 31.951 22.588 -99.200 -91.000