============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 21 1.000 15.699 22.590 34.705 -99.200 -91.000 PHE 25 1.000 20.062 24.867 29.820 -99.200 -91.000 HIS 27 0.900 23.552 14.997 28.933 -99.200 -91.000 PHE 28 1.000 20.866 23.645 23.242 -99.200 -91.000 PHE 31 1.000 24.623 25.002 20.912 -99.200 -91.000 TRP 45 1.040 9.180 41.767 6.499 -99.200 -91.000 TRP6 45 1.020 11.405 41.605 7.279 -99.200 -91.000 TRP 69 1.040 34.206 31.214 19.824 -99.200 -91.000 TRP6 69 1.020 34.650 32.713 18.044 -99.200 -91.000 TYR 71 0.840 25.399 36.938 17.167 -99.200 -91.000 PHE 83 1.000 13.125 37.922 10.689 -99.200 -91.000 HIS 88 0.900 21.533 29.212 20.323 -99.200 -91.000 TYR 95 0.840 18.450 19.908 25.645 -99.200 -91.000 PHE 97 1.000 8.792 24.302 23.470 -99.200 -91.000 PHE 103 1.000 7.525 17.950 35.407 -99.200 -91.000 TYR 109 0.840 -0.927 12.144 40.808 -99.200 -91.000 PHE 110 1.000 0.975 14.388 30.644 -99.200 -91.000 PHE 127 1.000 6.112 31.141 26.589 -99.200 -91.000 PHE 134 1.000 14.987 28.719 28.953 -99.200 -91.000 PHE 138 1.000 16.343 36.875 34.930 -99.200 -91.000 TRP 145 1.040 16.603 33.747 31.386 -99.200 -91.000 TRP6 145 1.020 16.314 35.851 30.305 -99.200 -91.000 TYR 152 0.840 20.799 31.691 25.537 -99.200 -91.000 PHE 166 1.000 6.772 34.350 34.796 -99.200 -91.000 HIS 167 0.900 11.961 34.402 32.990 -99.200 -91.000 TYR 168 0.840 14.790 41.561 35.918 -99.200 -91.000 HIS 176 0.900 11.692 26.674 50.066 -99.200 -91.000 TYR 180 0.840 11.367 28.333 40.621 -99.200 -91.000 PHE 189 1.000 -1.424 16.886 35.780 -99.200 -91.000 HIS 199 0.900 -12.917 21.879 32.500 -99.200 -91.000 PHE 209 1.000 -0.263 17.685 40.691 -99.200 -91.000 TYR 216 0.840 7.269 23.127 50.256 -99.200 -91.000 HIS 226 0.900 7.894 33.399 53.810 -99.200 -91.000 PHE 228 1.000 -2.635 37.833 51.950 -99.200 -91.000 PHE 230 1.000 -2.197 28.623 46.687 -99.200 -91.000 HIS 247 0.900 6.483 32.188 22.805 -99.200 -91.000 HIS 258 0.900 13.644 34.275 8.686 -99.200 -91.000 PHE 260 1.000 10.908 30.951 14.614 -99.200 -91.000 PHE 269 1.000 5.019 27.308 20.095 -99.200 -91.000 HIS 278 0.900 -1.158 18.130 17.669 -99.200 -91.000 HIS 282 0.900 0.174 8.835 19.484 -99.200 -91.000