============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 36 1.000 33.423 27.778 50.274 -99.200 -91.000 HIS 72 0.900 33.721 18.665 46.225 -99.200 -91.000 TYR 82 0.840 20.288 16.523 43.083 -99.200 -91.000 PHE 83 1.000 22.974 22.526 49.372 -99.200 -91.000 HIS 85 0.900 21.016 20.226 38.694 -99.200 -91.000 PHE 96 1.000 30.316 21.710 42.232 -99.200 -91.000 TYR 144 0.840 19.674 12.630 34.807 -99.200 -91.000 PHE 156 1.000 33.271 11.642 39.348 -99.200 -91.000 TYR 163 0.840 29.644 10.745 30.369 -99.200 -91.000 TYR 173 0.840 32.275 17.594 19.151 -99.200 -91.000 TYR 174 0.840 27.071 21.782 26.121 -99.200 -91.000 HIS 182 0.900 18.325 23.065 35.254 -99.200 -91.000 PHE 188 1.000 13.884 21.995 46.490 -99.200 -91.000 TYR 203 0.840 24.518 -0.882 51.459 -99.200 -91.000 TYR 205 0.840 23.253 -4.714 56.066 -99.200 -91.000 TYR 211 0.840 21.719 -2.646 65.850 -99.200 -91.000 TYR 213 0.840 15.678 1.463 59.497 -99.200 -91.000 HIS 219 0.900 22.260 9.499 68.318 -99.200 -91.000 TYR 226 0.840 16.107 0.308 52.771 -99.200 -91.000 HIS 281 0.900 23.285 12.295 42.673 -99.200 -91.000 TYR 302 0.840 9.417 19.945 46.674 -99.200 -91.000 PHE 303 1.000 13.507 12.761 46.928 -99.200 -91.000 HIS 304 0.900 7.950 10.406 41.381 -99.200 -91.000 TYR 306 0.840 12.847 20.659 42.012 -99.200 -91.000