============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 10 1.000 -81.142 7.505 -3.154 -99.200 -91.000 HIS 11 0.900 -83.392 18.219 -2.667 -99.200 -91.000 HIS 13 0.900 -88.492 13.720 2.207 -99.200 -91.000 TYR 34 0.840 -74.172 -0.186 -4.331 -99.200 -91.000 TYR 43 0.840 -73.146 24.716 3.120 -99.200 -91.000 TYR 57 0.840 -74.568 17.896 -15.668 -99.200 -91.000 PHE 67 1.000 -62.318 0.936 -14.086 -99.200 -91.000 TRP 73 1.040 -64.526 16.690 -14.525 -99.200 -91.000 TRP6 73 1.020 -64.225 18.908 -15.329 -99.200 -91.000 PHE 77 1.000 -65.179 22.743 -19.274 -99.200 -91.000 PHE 81 1.000 -74.430 26.770 -25.507 -99.200 -91.000 TRP 82 1.040 -76.973 25.536 -20.566 -99.200 -91.000 TRP6 82 1.020 -76.986 27.775 -21.328 -99.200 -91.000 PHE 91 1.000 -67.280 23.699 -13.282 -99.200 -91.000 PHE 97 1.000 -74.420 11.859 -12.354 -99.200 -91.000 PHE 101 1.000 -69.277 8.569 -13.449 -99.200 -91.000 TRP 102 1.040 -62.292 9.190 -9.603 -99.200 -91.000 TRP6 102 1.020 -60.104 8.362 -9.945 -99.200 -91.000 TYR 114 0.840 -55.375 4.694 0.371 -99.200 -91.000 TYR 128 0.840 -60.780 23.118 10.351 -99.200 -91.000 PHE 134 1.000 -73.743 27.620 13.025 -99.200 -91.000 TRP 136 1.040 -66.747 19.400 19.275 -99.200 -91.000 TRP6 136 1.020 -66.539 19.428 16.911 -99.200 -91.000 TYR 149 0.840 -68.945 32.548 19.880 -99.200 -91.000 TYR 161 0.840 -61.704 17.211 17.165 -99.200 -91.000 HIS 171 0.900 -74.360 33.048 14.728 -99.200 -91.000 PHE 181 1.000 -74.746 45.289 5.329 -99.200 -91.000 HIS 216 0.900 -69.791 30.591 7.770 -99.200 -91.000 HIS 218 0.900 -72.153 35.648 6.864 -99.200 -91.000 PHE 227 1.000 -62.775 40.155 13.552 -99.200 -91.000 PHE 234 1.000 -56.588 38.341 20.568 -99.200 -91.000 PHE 237 1.000 -52.992 26.354 11.220 -99.200 -91.000 PHE 238 1.000 -56.966 27.740 7.478 -99.200 -91.000 TYR 239 0.840 -59.730 37.236 8.331 -99.200 -91.000 TYR 269 0.840 -68.373 26.760 -7.195 -99.200 -91.000 TRP 272 1.040 -61.171 26.636 -17.225 -99.200 -91.000 TRP6 272 1.020 -61.326 24.265 -17.181 -99.200 -91.000 PHE 274 1.000 -60.140 26.494 -5.985 -99.200 -91.000 PHE 277 1.000 -59.847 33.578 -6.027 -99.200 -91.000 PHE 296 1.000 -62.754 10.843 -4.827 -99.200 -91.000 PHE 299 1.000 -59.279 17.837 -3.181 -99.200 -91.000 HIS 307 0.900 -46.579 20.631 -3.981 -99.200 -91.000 PHE 309 1.000 -49.227 29.187 -9.235 -99.200 -91.000 HIS 316 0.900 -67.197 23.353 2.450 -99.200 -91.000 HIS 329 0.900 -60.774 6.733 0.138 -99.200 -91.000 PHE 337 1.000 -54.456 17.119 5.201 -99.200 -91.000 HIS 340 0.900 -61.176 15.859 7.015 -99.200 -91.000 HIS 342 0.900 -65.622 15.236 12.267 -99.200 -91.000 HIS 343 0.900 -70.180 21.936 9.576 -99.200 -91.000 TYR 351 0.840 -76.104 16.464 7.782 -99.200 -91.000 HIS 357 0.900 -68.936 1.560 6.929 -99.200 -91.000 TYR 359 0.840 -65.403 5.435 7.534 -99.200 -91.000 TYR 366 0.840 -62.038 11.912 10.130 -99.200 -91.000 TYR 383 0.840 -83.347 3.307 -2.032 -99.200 -91.000 TYR 388 0.840 -85.669 6.437 -5.925 -99.200 -91.000