============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 33 1.000 -37.120 -28.349 -31.690 -99.200 -91.000 HIS 51 0.900 -42.489 -26.325 -44.019 -99.200 -91.000 PHE 78 1.000 -42.185 -29.505 -29.533 -99.200 -91.000 TYR 88 0.840 -52.449 -38.549 -29.871 -99.200 -91.000 PHE 90 1.000 -51.985 -35.690 -35.139 -99.200 -91.000 TRP 110 1.040 -41.453 -45.904 -32.449 -99.200 -91.000 TRP6 110 1.020 -39.522 -45.262 -33.668 -99.200 -91.000 PHE 111 1.000 -38.155 -43.833 -26.805 -99.200 -91.000 PHE 134 1.000 -39.171 -46.912 -48.095 -99.200 -91.000 HIS 149 0.900 -42.224 -55.269 -32.117 -99.200 -91.000 HIS 157 0.900 -53.315 -45.215 -53.117 -99.200 -91.000 PHE 159 1.000 -52.878 -41.941 -56.775 -99.200 -91.000 TYR 160 0.840 -46.970 -33.442 -55.968 -99.200 -91.000 PHE 177 1.000 -35.083 -48.749 -28.494 -99.200 -91.000 HIS 203 0.900 -53.308 -45.718 -73.240 -99.200 -91.000 PHE 216 1.000 -35.211 -53.842 -63.522 -99.200 -91.000 HIS 219 0.900 -38.895 -63.358 -59.884 -99.200 -91.000 HIS 224 0.900 -55.862 -51.671 -56.361 -99.200 -91.000 PHE 249 1.000 -35.194 -48.979 -55.173 -99.200 -91.000 PHE 250 1.000 -42.843 -43.001 -54.862 -99.200 -91.000 TYR 273 0.840 -31.324 -51.764 -53.857 -99.200 -91.000 TYR 283 0.840 -35.256 -42.392 -52.192 -99.200 -91.000 PHE 300 1.000 -27.677 -47.248 -42.754 -99.200 -91.000 HIS 304 0.900 -23.628 -43.282 -55.031 -99.200 -91.000 HIS 308 0.900 -34.006 -35.606 -47.096 -99.200 -91.000 PHE 319 1.000 -32.959 -32.512 -30.272 -99.200 -91.000 PHE 324 1.000 -25.714 -42.054 -36.455 -99.200 -91.000