============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 8 1.000 36.383 26.696 7.454 -99.200 -91.000 PHE 33 1.000 43.163 14.764 11.977 -99.200 -91.000 PHE 49 1.000 44.990 26.737 10.683 -99.200 -91.000 TYR 77 0.840 47.876 21.052 -0.502 -99.200 -91.000 TYR 92 0.840 40.337 26.870 -5.945 -99.200 -91.000 HIS 102 0.900 46.704 10.689 -2.280 -99.200 -91.000 PHE 115 1.000 34.608 10.462 -14.108 -99.200 -91.000 HIS 116 0.900 36.583 8.889 -18.733 -99.200 -91.000 TYR 129 0.840 34.373 10.344 -8.291 -99.200 -91.000 TYR 145 0.840 29.990 -5.215 -2.421 -99.200 -91.000 PHE 158 1.000 21.525 9.274 -8.424 -99.200 -91.000 TYR 164 0.840 9.562 18.517 1.836 -99.200 -91.000 TYR 175 0.840 6.726 23.672 -8.516 -99.200 -91.000 HIS 177 0.900 0.647 25.438 0.189 -99.200 -91.000 TYR 187 0.840 13.711 20.136 3.449 -99.200 -91.000 TYR 194 0.840 22.548 22.881 -8.775 -99.200 -91.000 TYR 218 0.840 23.508 19.019 -17.888 -99.200 -91.000 PHE 234 1.000 2.492 13.230 -6.894 -99.200 -91.000 TYR 242 0.840 2.058 2.470 -11.946 -99.200 -91.000 PHE 264 1.000 0.823 4.354 -4.353 -99.200 -91.000 HIS 265 0.900 3.013 -1.691 -1.104 -99.200 -91.000 HIS 266 0.900 11.127 -0.001 -7.681 -99.200 -91.000 PHE 277 1.000 24.807 1.345 -7.677 -99.200 -91.000 PHE 286 1.000 16.778 0.806 -2.970 -99.200 -91.000 TYR 306 0.840 38.956 3.727 7.074 -99.200 -91.000 TYR 309 0.840 46.291 9.962 3.566 -99.200 -91.000