============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 2 1.000 42.642 23.091 27.490 -99.200 -91.000 TRP 10 1.040 52.207 20.029 33.779 -99.200 -91.000 TRP6 10 1.020 51.322 21.492 35.415 -99.200 -91.000 HIS 13 0.900 54.583 19.346 37.115 -99.200 -91.000 PHE 17 1.000 44.266 15.902 38.459 -99.200 -91.000 PHE 26 1.000 35.188 30.138 36.080 -99.200 -91.000 PHE 34 1.000 40.424 27.801 29.844 -99.200 -91.000 TYR 43 0.840 42.315 20.967 41.553 -99.200 -91.000 TYR 55 0.840 51.995 29.707 41.072 -99.200 -91.000 TYR 70 0.840 45.675 22.976 44.808 -99.200 -91.000 PHE 83 1.000 48.696 25.003 32.568 -99.200 -91.000 TYR 84 0.840 47.579 31.552 38.086 -99.200 -91.000 PHE 87 1.000 34.769 27.324 42.054 -99.200 -91.000 TRP 94 1.040 30.182 43.414 41.579 -99.200 -91.000 TRP6 94 1.020 32.077 43.762 40.209 -99.200 -91.000 TYR 109 0.840 32.828 50.621 54.047 -99.200 -91.000 HIS 118 0.900 49.124 48.868 52.193 -99.200 -91.000 TYR 122 0.840 59.197 44.407 51.003 -99.200 -91.000 TYR 130 0.840 55.391 40.916 43.041 -99.200 -91.000 TYR 136 0.840 54.229 54.014 44.517 -99.200 -91.000 PHE 137 1.000 53.495 58.647 46.906 -99.200 -91.000 TRP 144 1.040 50.290 56.606 36.332 -99.200 -91.000 TRP6 144 1.020 49.208 55.313 34.684 -99.200 -91.000 TYR 148 0.840 46.476 64.533 30.040 -99.200 -91.000 TRP 163 1.040 50.627 71.576 43.888 -99.200 -91.000 TRP6 163 1.020 50.254 69.732 45.319 -99.200 -91.000 HIS 167 0.900 53.825 71.368 45.802 -99.200 -91.000 HIS 180 0.900 44.825 44.267 44.774 -99.200 -91.000 TYR 183 0.840 42.186 46.371 49.798 -99.200 -91.000 PHE 189 1.000 33.985 41.082 52.178 -99.200 -91.000 HIS 190 0.900 31.725 32.197 55.487 -99.200 -91.000 TRP 202 1.040 46.378 39.411 44.813 -99.200 -91.000 TRP6 202 1.020 47.514 40.611 46.487 -99.200 -91.000 HIS 209 0.900 54.468 55.807 50.755 -99.200 -91.000 PHE 213 1.000 44.326 53.575 54.123 -99.200 -91.000 TYR 215 0.840 42.238 52.773 42.949 -99.200 -91.000 HIS 216 0.900 40.242 50.569 50.509 -99.200 -91.000 TRP 219 1.040 35.046 57.405 53.466 -99.200 -91.000 TRP6 219 1.020 36.172 55.353 53.256 -99.200 -91.000 HIS 220 0.900 38.225 62.040 49.764 -99.200 -91.000 PHE 226 1.000 34.427 56.716 37.337 -99.200 -91.000 HIS 234 0.900 30.003 58.508 54.550 -99.200 -91.000 TYR 245 0.840 38.656 52.165 55.721 -99.200 -91.000 TYR 249 0.840 46.814 51.654 56.517 -99.200 -91.000 TRP 261 1.040 43.688 61.977 53.571 -99.200 -91.000 TRP6 261 1.020 44.229 59.701 53.217 -99.200 -91.000 PHE 263 1.000 51.915 63.842 46.969 -99.200 -91.000 TYR 264 0.840 50.517 60.400 51.503 -99.200 -91.000 PHE 267 1.000 50.321 58.896 42.928 -99.200 -91.000 PHE 269 1.000 49.311 62.575 37.627 -99.200 -91.000 TRP 304 1.040 44.063 72.948 40.118 -99.200 -91.000 TRP6 304 1.020 46.316 73.119 40.814 -99.200 -91.000 TYR 306 0.840 39.647 66.221 47.604 -99.200 -91.000