============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 2 0.900 96.097 75.829 25.112 -99.200 -91.000 PHE 5 1.000 91.309 70.386 30.376 -99.200 -91.000 HIS 8 0.900 88.547 67.903 35.251 -99.200 -91.000 PHE 9 1.000 88.628 61.726 40.571 -99.200 -91.000 TYR 11 0.840 92.254 65.892 30.351 -99.200 -91.000 PHE 14 1.000 89.812 61.953 28.161 -99.200 -91.000 HIS 24 0.900 76.397 55.570 23.871 -99.200 -91.000 TYR 30 0.840 68.392 50.399 22.960 -99.200 -91.000 PHE 32 1.000 65.926 45.416 14.437 -99.200 -91.000 HIS 33 0.900 60.649 45.539 19.555 -99.200 -91.000 TYR 49 0.840 82.241 44.948 37.370 -99.200 -91.000 PHE 51 1.000 83.101 49.569 32.115 -99.200 -91.000 TRP 55 1.040 81.369 58.643 27.525 -99.200 -91.000 TRP6 55 1.020 82.224 60.801 27.033 -99.200 -91.000 PHE 66 1.000 68.723 59.841 13.897 -99.200 -91.000 TYR 75 0.840 64.206 58.123 31.938 -99.200 -91.000 TYR 78 0.840 68.625 58.483 33.125 -99.200 -91.000 TYR 81 0.840 67.652 59.171 38.899 -99.200 -91.000 PHE 91 1.000 77.347 59.943 35.354 -99.200 -91.000 HIS 102 0.900 71.313 81.442 23.884 -99.200 -91.000 PHE 117 1.000 76.348 65.571 40.575 -99.200 -91.000 PHE 133 1.000 69.470 71.032 13.590 -99.200 -91.000 HIS 140 0.900 70.393 69.443 9.097 -99.200 -91.000 PHE 147 1.000 80.172 73.147 17.040 -99.200 -91.000 PHE 151 1.000 84.069 75.662 21.170 -99.200 -91.000 TYR 153 0.840 76.212 83.870 24.282 -99.200 -91.000 TYR 159 0.840 85.642 77.918 30.821 -99.200 -91.000 PHE 162 1.000 79.673 91.228 36.832 -99.200 -91.000 HIS 173 0.900 77.055 94.574 25.346 -99.200 -91.000 PHE 188 1.000 87.085 65.864 25.780 -99.200 -91.000 PHE 192 1.000 85.599 65.426 9.599 -99.200 -91.000 TRP 198 1.040 86.427 75.942 14.172 -99.200 -91.000 TRP6 198 1.020 85.471 74.923 16.083 -99.200 -91.000 PHE 199 1.000 87.913 68.183 13.584 -99.200 -91.000 HIS 202 0.900 88.583 77.475 17.204 -99.200 -91.000 TRP 206 1.040 87.545 64.783 16.103 -99.200 -91.000 TRP6 206 1.020 88.675 63.645 14.352 -99.200 -91.000 TYR 207 0.840 84.894 60.828 12.692 -99.200 -91.000 TYR 208 0.840 80.283 60.248 13.533 -99.200 -91.000 HIS 214 0.900 87.441 51.483 6.969 -99.200 -91.000 TRP 222 1.040 92.384 66.499 16.056 -99.200 -91.000 TRP6 222 1.020 92.713 65.431 18.139 -99.200 -91.000 TYR 229 0.840 95.960 75.291 13.639 -99.200 -91.000 HIS 230 0.900 96.465 75.230 20.499 -99.200 -91.000 PHE 234 1.000 96.917 63.152 25.485 -99.200 -91.000 PHE 237 1.000 89.856 59.607 17.799 -99.200 -91.000 HIS 241 0.900 76.627 50.931 18.547 -99.200 -91.000 TYR 259 0.840 85.566 45.350 15.565 -99.200 -91.000 TYR 273 0.840 89.623 50.345 17.862 -99.200 -91.000 HIS 280 0.900 86.434 56.912 27.973 -99.200 -91.000 PHE 282 1.000 81.306 56.890 23.994 -99.200 -91.000 PHE 286 1.000 73.223 51.842 22.763 -99.200 -91.000 HIS 306 0.900 93.898 42.030 30.923 -99.200 -91.000 PHE 307 1.000 92.513 47.470 27.415 -99.200 -91.000