============================================================================= 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 40.657 18.095 19.467 -99.200 -91.000 HIS 41 0.900 50.281 18.491 15.451 -99.200 -91.000 HIS 49 0.900 54.362 25.726 4.549 -99.200 -91.000 TYR 55 0.840 49.748 40.468 -0.512 -99.200 -91.000 TYR 66 0.840 38.428 16.871 23.139 -99.200 -91.000 PHE 81 1.000 31.498 7.761 15.744 -99.200 -91.000 HIS 102 0.900 37.434 17.798 26.976 -99.200 -91.000 PHE 111 1.000 28.983 33.182 18.013 -99.200 -91.000 HIS 127 0.900 21.944 26.437 25.231 -99.200 -91.000 HIS 129 0.900 25.126 17.431 28.032 -99.200 -91.000 TYR 151 0.840 25.766 30.482 -8.455 -99.200 -91.000 TYR 152 0.840 21.041 25.973 -7.432 -99.200 -91.000 HIS 167 0.900 14.997 35.953 5.198 -99.200 -91.000 HIS 172 0.900 21.962 22.400 6.730 -99.200 -91.000 TYR 182 0.840 9.146 36.440 4.761 -99.200 -91.000 PHE 192 1.000 13.308 40.967 -10.894 -99.200 -91.000 PHE 207 1.000 10.840 27.971 -4.324 -99.200 -91.000 HIS 221 0.900 30.176 9.254 -9.122 -99.200 -91.000 TYR 225 0.840 35.545 19.299 0.820 -99.200 -91.000 TYR 239 0.840 31.771 36.377 18.560 -99.200 -91.000 TYR 257 0.840 9.701 31.804 13.388 -99.200 -91.000 HIS 259 0.900 7.471 25.110 17.236 -99.200 -91.000 PHE 263 1.000 19.932 26.050 20.287 -99.200 -91.000 PHE 291 1.000 9.993 27.667 12.445 -99.200 -91.000 HIS 306 0.900 18.264 13.283 24.855 -99.200 -91.000 HIS 307 0.900 16.836 6.093 24.274 -99.200 -91.000 HIS 308 0.900 24.593 4.000 22.145 -99.200 -91.000