============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 16 1.000 27.924 -0.574 17.916 -99.200 -91.000 HIS 25 0.900 23.388 8.301 5.700 -99.200 -91.000 TYR 27 0.840 18.234 3.333 12.511 -99.200 -91.000 TYR 30 0.840 24.203 -3.468 10.201 -99.200 -91.000 TYR 40 0.840 14.318 -15.425 0.866 -99.200 -91.000 HIS 42 0.900 11.626 -19.761 -0.428 -99.200 -91.000 PHE 67 1.000 21.831 -15.822 14.189 -99.200 -91.000 PHE 90 1.000 18.361 1.470 30.865 -99.200 -91.000 PHE 105 1.000 21.206 12.658 30.536 -99.200 -91.000 HIS 125 0.900 6.990 18.171 30.279 -99.200 -91.000 HIS 126 0.900 10.117 13.566 24.442 -99.200 -91.000 TYR 133 0.840 3.424 8.223 32.370 -99.200 -91.000 PHE 134 1.000 12.705 1.999 30.866 -99.200 -91.000 PHE 137 1.000 5.354 6.325 27.552 -99.200 -91.000 TYR 164 0.840 -11.989 19.199 15.604 -99.200 -91.000 PHE 172 1.000 -7.114 0.347 14.878 -99.200 -91.000 HIS 188 0.900 -13.091 22.151 11.843 -99.200 -91.000 PHE 191 1.000 -4.443 23.258 8.987 -99.200 -91.000 HIS 203 0.900 -5.154 24.676 23.724 -99.200 -91.000 HIS 213 0.900 -9.801 13.288 34.627 -99.200 -91.000 PHE 214 1.000 -7.452 8.332 25.329 -99.200 -91.000 PHE 226 1.000 -0.847 15.948 22.943 -99.200 -91.000 TYR 241 0.840 -7.411 -1.041 30.424 -99.200 -91.000 HIS 243 0.900 -0.486 6.411 32.885 -99.200 -91.000 TYR 256 0.840 -7.957 11.176 4.745 -99.200 -91.000 TYR 257 0.840 -7.861 10.850 -0.541 -99.200 -91.000 TYR 262 0.840 3.715 11.343 8.358 -99.200 -91.000 PHE 263 1.000 0.310 10.054 12.364 -99.200 -91.000 PHE 269 1.000 4.435 1.759 1.843 -99.200 -91.000 HIS 276 0.900 9.382 3.388 -7.424 -99.200 -91.000 PHE 282 1.000 6.128 11.986 -10.340 -99.200 -91.000 TYR 287 0.840 2.433 19.195 5.268 -99.200 -91.000 PHE 311 1.000 0.541 3.069 -2.892 -99.200 -91.000 TYR 313 0.840 0.088 11.894 -9.676 -99.200 -91.000 TRP 316 1.040 6.296 1.235 -6.073 -99.200 -91.000 TRP6 316 1.020 6.532 1.598 -3.744 -99.200 -91.000 TYR 318 0.840 -4.171 0.979 -2.585 -99.200 -91.000