============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 6 1.000 6.847 15.401 2.895 -99.200 -91.000 PHE 11 1.000 21.766 19.770 -0.378 -99.200 -91.000 TYR 21 0.840 16.058 24.412 2.483 -99.200 -91.000 PHE 32 1.000 6.519 18.937 10.436 -99.200 -91.000 HIS 34 0.900 17.796 17.064 13.113 -99.200 -91.000 TYR 41 0.840 14.976 8.348 7.186 -99.200 -91.000 TRP 43 1.040 10.818 16.078 12.233 -99.200 -91.000 TRP6 43 1.020 9.424 16.011 14.140 -99.200 -91.000 HIS 49 0.900 -0.592 11.464 9.148 -99.200 -91.000 TYR 78 0.840 29.686 20.085 14.747 -99.200 -91.000 TYR 80 0.840 20.783 26.276 22.362 -99.200 -91.000 HIS 83 0.900 24.122 22.090 16.331 -99.200 -91.000 TYR 86 0.840 26.913 27.509 11.175 -99.200 -91.000 TRP 91 1.040 14.626 27.551 11.198 -99.200 -91.000 TRP6 91 1.020 13.823 27.170 13.388 -99.200 -91.000 HIS 105 0.900 12.427 13.843 19.388 -99.200 -91.000 TRP 107 1.040 20.220 18.540 22.372 -99.200 -91.000 TRP6 107 1.020 20.513 20.393 23.795 -99.200 -91.000 PHE 113 1.000 9.931 23.944 23.837 -99.200 -91.000 TRP 115 1.040 13.653 31.405 15.487 -99.200 -91.000 TRP6 115 1.020 11.436 31.659 14.723 -99.200 -91.000 HIS 119 0.900 13.005 35.529 15.778 -99.200 -91.000 TYR 128 0.840 5.368 20.684 24.624 -99.200 -91.000 TRP 138 1.040 23.502 14.208 36.507 -99.200 -91.000 TRP6 138 1.020 23.424 13.349 34.319 -99.200 -91.000 PHE 141 1.000 19.362 11.531 30.921 -99.200 -91.000 PHE 149 1.000 22.005 10.371 27.152 -99.200 -91.000 PHE 152 1.000 26.648 9.184 25.352 -99.200 -91.000 PHE 167 1.000 22.869 10.470 21.808 -99.200 -91.000 TYR 188 0.840 16.930 7.835 12.035 -99.200 -91.000 PHE 192 1.000 25.852 11.781 12.685 -99.200 -91.000 TRP 205 1.040 23.031 18.293 19.196 -99.200 -91.000 TRP6 205 1.020 22.479 20.492 19.898 -99.200 -91.000 TYR 225 0.840 13.936 26.464 26.386 -99.200 -91.000 TRP 228 1.040 7.502 33.470 26.119 -99.200 -91.000 TRP6 228 1.020 7.538 31.994 24.283 -99.200 -91.000 PHE 238 1.000 3.299 16.765 27.135 -99.200 -91.000 PHE 254 1.000 7.904 24.283 33.524 -99.200 -91.000 TRP 258 1.040 4.816 24.731 29.994 -99.200 -91.000 TRP6 258 1.020 6.198 24.044 28.209 -99.200 -91.000 HIS 270 0.900 14.369 11.425 23.003 -99.200 -91.000 PHE 271 1.000 16.023 8.937 19.406 -99.200 -91.000 PHE 287 1.000 -1.285 23.062 17.803 -99.200 -91.000