============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 10 1.000 23.378 25.197 2.154 -99.200 -91.000 PHE 11 1.000 15.978 22.217 5.197 -99.200 -91.000 TYR 15 0.840 7.674 27.770 0.427 -99.200 -91.000 TYR 16 0.840 13.910 31.531 -5.511 -99.200 -91.000 PHE 33 1.000 16.922 45.708 -2.484 -99.200 -91.000 HIS 34 0.900 20.083 41.370 -8.196 -99.200 -91.000 PHE 54 1.000 14.288 26.898 8.837 -99.200 -91.000 HIS 93 0.900 19.428 13.771 23.221 -99.200 -91.000 PHE 101 1.000 22.884 7.474 30.386 -99.200 -91.000 PHE 105 1.000 25.714 23.687 26.074 -99.200 -91.000 TYR 112 0.840 31.587 34.256 19.368 -99.200 -91.000 HIS 124 0.900 32.851 16.933 25.253 -99.200 -91.000 HIS 128 0.900 36.214 14.310 27.899 -99.200 -91.000 TYR 143 0.840 17.459 42.679 9.861 -99.200 -91.000 TYR 183 0.840 22.845 47.779 24.071 -99.200 -91.000 PHE 185 1.000 20.338 42.200 15.100 -99.200 -91.000 TRP 186 1.040 18.809 46.628 21.366 -99.200 -91.000 TRP6 186 1.020 19.495 48.457 20.028 -99.200 -91.000 HIS 191 0.900 11.155 45.417 21.455 -99.200 -91.000 TYR 193 0.840 9.093 41.950 12.703 -99.200 -91.000 TYR 205 0.840 31.659 42.142 9.415 -99.200 -91.000 PHE 209 1.000 39.230 41.141 8.964 -99.200 -91.000 TRP 213 1.040 44.668 41.072 9.638 -99.200 -91.000 TRP6 213 1.020 44.885 38.930 8.656 -99.200 -91.000 HIS 216 0.900 45.862 35.028 13.472 -99.200 -91.000 PHE 224 1.000 44.662 40.386 4.931 -99.200 -91.000 TYR 227 0.840 45.268 32.929 7.589 -99.200 -91.000 PHE 232 1.000 36.513 38.211 6.013 -99.200 -91.000 HIS 233 0.900 27.998 37.236 10.557 -99.200 -91.000 TYR 236 0.840 25.864 44.142 4.125 -99.200 -91.000 TYR 263 0.840 33.950 38.283 0.737 -99.200 -91.000 TYR 269 0.840 26.785 26.607 -1.730 -99.200 -91.000 TYR 277 0.840 19.812 37.172 12.511 -99.200 -91.000 TYR 282 0.840 30.810 28.626 11.973 -99.200 -91.000 PHE 304 1.000 35.465 39.276 11.823 -99.200 -91.000 TYR 306 0.840 30.157 41.961 14.544 -99.200 -91.000 PHE 314 1.000 41.637 35.359 11.246 -99.200 -91.000 PHE 315 1.000 37.188 30.017 14.020 -99.200 -91.000 TYR 323 0.840 38.982 19.868 0.794 -99.200 -91.000 HIS 326 0.900 35.230 12.188 3.746 -99.200 -91.000 HIS 332 0.900 25.339 21.654 1.282 -99.200 -91.000 TYR 347 0.840 9.011 38.934 1.432 -99.200 -91.000 PHE 351 1.000 8.720 39.497 7.171 -99.200 -91.000 TYR 369 0.840 13.234 15.869 11.305 -99.200 -91.000 TYR 381 0.840 9.168 20.839 16.199 -99.200 -91.000