============================================================================= 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 33 1.000 -0.590 24.600 19.215 -99.200 -91.000 HIS 41 0.900 -10.205 24.178 15.250 -99.200 -91.000 HIS 49 0.900 -14.172 16.920 4.366 -99.200 -91.000 TYR 55 0.840 -12.414 0.599 2.999 -99.200 -91.000 TYR 66 0.840 1.627 25.940 22.874 -99.200 -91.000 PHE 81 1.000 8.755 34.679 15.098 -99.200 -91.000 HIS 102 0.900 2.507 24.917 26.859 -99.200 -91.000 PHE 111 1.000 11.048 9.445 18.029 -99.200 -91.000 HIS 127 0.900 18.070 16.235 25.183 -99.200 -91.000 HIS 129 0.900 14.729 25.403 27.827 -99.200 -91.000 TYR 151 0.840 14.359 12.139 -8.443 -99.200 -91.000 TYR 152 0.840 18.920 16.679 -7.395 -99.200 -91.000 HIS 167 0.900 25.176 6.658 5.209 -99.200 -91.000 HIS 172 0.900 18.148 20.025 6.767 -99.200 -91.000 TYR 182 0.840 30.964 6.114 4.709 -99.200 -91.000 PHE 192 1.000 26.790 1.661 -10.866 -99.200 -91.000 PHE 207 1.000 29.056 14.830 -3.363 -99.200 -91.000 HIS 221 0.900 9.796 33.458 -9.143 -99.200 -91.000 TYR 225 0.840 4.626 23.259 0.221 -99.200 -91.000 TYR 239 0.840 8.286 6.251 18.541 -99.200 -91.000 TYR 257 0.840 30.401 10.795 13.390 -99.200 -91.000 HIS 259 0.900 32.569 17.424 17.214 -99.200 -91.000 PHE 263 1.000 20.160 16.654 20.308 -99.200 -91.000 PHE 291 1.000 30.105 14.880 12.437 -99.200 -91.000 HIS 306 0.900 21.722 29.493 24.678 -99.200 -91.000 HIS 307 0.900 21.437 34.622 26.812 -99.200 -91.000 HIS 308 0.900 15.156 38.727 21.740 -99.200 -91.000 HIS 309 0.900 23.364 40.611 23.629 -99.200 -91.000 HIS 310 0.900 18.418 49.031 23.720 -99.200 -91.000