============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 1.040 -12.391 -6.482 -99.200 -91.000 PHE 29 1.000 -4.939 -14.517 -6.266 -99.200 -91.000 TYR 32 0.840 0.636 -8.749 -2.491 -99.200 -91.000 TYR 33 0.840 -7.004 -4.221 -1.009 -99.200 -91.000 TRP 36 1.040 -9.845 -8.189 -13.827 -99.200 -91.000 TRP6 36 1.020 -8.670 -9.268 -15.572 -99.200 -91.000 TRP 47 1.040 -9.201 0.347 -10.633 -99.200 -91.000 TRP6 47 1.020 -11.282 0.625 -9.558 -99.200 -91.000 PHE 50 1.000 -10.343 -2.006 -4.601 -99.200 -91.000 TYR 58 0.840 -10.309 -13.668 0.030 -99.200 -91.000 TYR 62 0.840 -17.495 -4.698 -9.389 -99.200 -91.000 PHE 70 1.000 -17.257 -5.160 -17.994 -99.200 -91.000 PHE 80 1.000 -5.875 -19.279 -13.293 -99.200 -91.000 TYR 82 0.840 -11.189 -17.124 -12.733 -99.200 -91.000 TYR 96 0.840 -11.280 -5.421 -20.971 -99.200 -91.000 TYR 97 0.840 -2.541 -3.696 -20.135 -99.200 -91.000 TYR 109 0.840 -0.397 0.276 1.997 -99.200 -91.000 TYR 114 0.840 5.940 -7.031 -9.577 -99.200 -91.000 TRP 115 1.040 0.520 -2.472 -14.151 -99.200 -91.000 TRP6 115 1.020 -1.354 -1.303 -14.977 -99.200 -91.000 TYR 134 0.840 -0.745 -12.056 -49.919 -99.200 -91.000 TYR 151 0.840 -4.938 -8.682 -39.003 -99.200 -91.000 PHE 152 1.000 -13.105 -7.691 -36.952 -99.200 -91.000 TRP 160 1.040 10.546 -9.742 -39.365 -99.200 -91.000 TRP6 160 1.020 10.402 -10.321 -41.650 -99.200 -91.000 HIS 170 0.900 11.581 0.576 -38.084 -99.200 -91.000 PHE 172 1.000 5.937 0.268 -41.037 -99.200 -91.000 TYR 181 0.840 -8.408 -4.308 -37.314 -99.200 -91.000 TRP 194 1.040 17.162 -12.411 -48.038 -99.200 -91.000 TRP6 194 1.020 16.726 -11.258 -50.052 -99.200 -91.000 HIS 205 0.900 -6.431 -13.507 -36.796 -99.200 -91.000