============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 9 0.900 8.761 36.627 -10.438 -99.200 -91.000 PHE 16 1.000 7.022 21.992 -1.779 -99.200 -91.000 HIS 18 0.900 9.375 32.464 -8.429 -99.200 -91.000 HIS 20 0.900 10.767 28.047 -12.247 -99.200 -91.000 PHE 33 1.000 11.817 37.627 -7.118 -99.200 -91.000 TYR 49 0.840 11.967 24.883 21.596 -99.200 -91.000 PHE 55 1.000 16.985 37.592 4.374 -99.200 -91.000 HIS 67 0.900 14.313 32.928 -17.233 -99.200 -91.000 TYR 71 0.840 18.143 45.646 -15.447 -99.200 -91.000 HIS 86 0.900 17.346 41.555 10.940 -99.200 -91.000 PHE 90 1.000 19.381 39.622 -3.486 -99.200 -91.000 HIS 91 0.900 27.323 34.905 -1.561 -99.200 -91.000 PHE 115 1.000 20.450 41.351 -7.745 -99.200 -91.000 PHE 123 1.000 24.933 33.722 -8.676 -99.200 -91.000 TYR 125 0.840 17.797 35.313 -0.337 -99.200 -91.000 HIS 126 0.900 25.530 36.415 3.447 -99.200 -91.000 TRP 136 1.040 23.938 36.142 16.742 -99.200 -91.000 TRP6 136 1.020 22.679 38.095 17.246 -99.200 -91.000 HIS 137 0.900 21.756 40.000 12.190 -99.200 -91.000 HIS 157 0.900 28.036 16.357 -20.858 -99.200 -91.000 TYR 164 0.840 14.024 23.064 -13.586 -99.200 -91.000 TYR 168 0.840 10.839 18.461 -4.407 -99.200 -91.000 TYR 169 0.840 16.641 27.183 -1.412 -99.200 -91.000 HIS 175 0.900 20.492 26.974 12.359 -99.200 -91.000 TYR 176 0.840 27.723 27.064 14.517 -99.200 -91.000 TYR 185 0.840 21.260 21.144 22.061 -99.200 -91.000 PHE 188 1.000 20.292 31.714 25.451 -99.200 -91.000 TYR 195 0.840 26.874 38.190 19.820 -99.200 -91.000 HIS 209 0.900 20.399 21.345 17.201 -99.200 -91.000 PHE 212 1.000 19.274 18.527 4.167 -99.200 -91.000 PHE 235 1.000 16.691 16.257 -5.343 -99.200 -91.000 HIS 237 0.900 22.366 20.807 -0.091 -99.200 -91.000 HIS 247 0.900 24.601 9.224 -1.556 -99.200 -91.000 HIS 252 0.900 23.873 6.763 -9.151 -99.200 -91.000 TRP 257 1.040 25.664 23.058 -14.059 -99.200 -91.000 TRP6 257 1.020 23.641 21.906 -14.489 -99.200 -91.000 PHE 262 1.000 22.097 26.950 -13.005 -99.200 -91.000 HIS 263 0.900 25.867 30.559 -19.281 -99.200 -91.000 TRP 273 1.040 25.620 17.229 -5.323 -99.200 -91.000 TRP6 273 1.020 24.455 15.141 -5.665 -99.200 -91.000 PHE 274 1.000 33.041 20.478 -0.312 -99.200 -91.000 TYR 285 0.840 18.482 9.963 -9.775 -99.200 -91.000 PHE 287 1.000 13.944 10.788 -7.630 -99.200 -91.000 TYR 293 0.840 14.955 6.955 -4.689 -99.200 -91.000 TYR 295 0.840 19.589 16.331 -1.374 -99.200 -91.000 HIS 298 0.900 27.415 9.296 2.557 -99.200 -91.000 HIS 305 0.900 25.081 10.846 15.987 -99.200 -91.000 HIS 311 0.900 13.316 9.877 5.480 -99.200 -91.000 TRP 318 1.040 12.284 -3.239 -8.238 -99.200 -91.000 TRP6 318 1.020 13.611 -1.854 -6.862 -99.200 -91.000