============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 5 1.000 19.003 6.977 18.670 -99.200 -91.000 TYR 6 0.840 12.185 2.940 14.347 -99.200 -91.000 TRP 15 1.040 7.727 11.871 16.517 -99.200 -91.000 TRP6 15 1.020 7.322 11.482 18.814 -99.200 -91.000 TYR 21 0.840 11.981 3.480 23.587 -99.200 -91.000 TYR 32 0.840 5.537 24.387 27.592 -99.200 -91.000 PHE 39 1.000 5.753 -4.174 23.570 -99.200 -91.000 PHE 56 1.000 18.131 22.310 24.416 -99.200 -91.000 HIS 61 0.900 10.285 28.970 25.258 -99.200 -91.000 TYR 66 0.840 19.657 21.950 34.224 -99.200 -91.000 HIS 74 0.900 16.013 14.309 43.014 -99.200 -91.000 HIS 77 0.900 6.064 8.062 45.593 -99.200 -91.000 PHE 87 1.000 14.854 8.399 22.614 -99.200 -91.000 PHE 96 1.000 21.165 18.026 23.629 -99.200 -91.000 TYR 100 0.840 13.033 12.159 20.040 -99.200 -91.000 HIS 104 0.900 6.043 2.926 34.273 -99.200 -91.000 HIS 123 0.900 -13.926 2.013 43.237 -99.200 -91.000 PHE 126 1.000 -5.368 2.159 45.162 -99.200 -91.000 TYR 129 0.840 -2.015 5.470 50.841 -99.200 -91.000 TYR 137 0.840 9.755 10.989 45.703 -99.200 -91.000 HIS 139 0.900 3.797 19.131 49.303 -99.200 -91.000 HIS 145 0.900 1.331 19.763 40.291 -99.200 -91.000 PHE 166 1.000 5.787 17.824 39.578 -99.200 -91.000 TYR 172 0.840 -18.450 27.239 34.954 -99.200 -91.000 TRP 177 1.040 -13.783 26.205 38.290 -99.200 -91.000 TRP6 177 1.020 -14.710 24.744 36.679 -99.200 -91.000 TYR 178 0.840 -10.158 21.268 40.345 -99.200 -91.000 TRP 187 1.040 -5.467 36.655 49.851 -99.200 -91.000 TRP6 187 1.020 -6.816 35.107 51.028 -99.200 -91.000 HIS 189 0.900 7.461 32.609 49.881 -99.200 -91.000 TYR 190 0.840 3.134 30.309 45.825 -99.200 -91.000 TRP 197 1.040 -8.039 25.307 48.308 -99.200 -91.000 TRP6 197 1.020 -9.266 26.119 50.164 -99.200 -91.000 PHE 213 1.000 -14.563 25.738 47.417 -99.200 -91.000 HIS 218 0.900 -8.472 35.228 39.210 -99.200 -91.000 TYR 248 0.840 -12.624 42.062 47.517 -99.200 -91.000 PHE 260 1.000 -15.953 21.773 55.442 -99.200 -91.000 PHE 264 1.000 -18.239 18.440 51.187 -99.200 -91.000 HIS 295 0.900 -8.416 11.708 58.894 -99.200 -91.000 TYR 297 0.840 -11.437 8.828 53.553 -99.200 -91.000 PHE 298 1.000 -6.404 8.798 53.020 -99.200 -91.000 TYR 301 0.840 -6.756 1.640 50.152 -99.200 -91.000 HIS 302 0.900 -0.276 5.358 57.565 -99.200 -91.000 TYR 313 0.840 14.938 19.110 42.163 -99.200 -91.000 PHE 317 1.000 17.442 23.888 38.396 -99.200 -91.000 TRP 327 1.040 20.066 28.313 31.094 -99.200 -91.000 TRP6 327 1.020 19.982 27.579 33.342 -99.200 -91.000 TYR 332 0.840 25.480 15.841 24.886 -99.200 -91.000 PHE 338 1.000 17.270 7.925 32.520 -99.200 -91.000