============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 35 0.840 53.167 8.506 98.565 -99.200 -91.000 PHE 38 1.000 56.937 4.198 100.130 -99.200 -91.000 TYR 39 0.840 56.965 10.386 94.658 -99.200 -91.000 PHE 40 1.000 60.046 14.188 96.624 -99.200 -91.000 HIS 47 0.900 68.875 14.187 94.415 -99.200 -91.000 PHE 55 1.000 54.338 13.968 96.673 -99.200 -91.000 TYR 68 0.840 43.059 1.174 101.950 -99.200 -91.000 TYR 70 0.840 50.369 -4.751 92.306 -99.200 -91.000 TYR 85 0.840 59.217 12.865 84.450 -99.200 -91.000 TRP 116 1.040 21.139 -9.480 92.421 -99.200 -91.000 TRP6 116 1.020 21.859 -10.844 90.635 -99.200 -91.000 HIS 125 0.900 23.120 -7.411 78.933 -99.200 -91.000 TYR 141 0.840 39.148 -14.969 78.448 -99.200 -91.000 TYR 152 0.840 24.802 -18.183 78.309 -99.200 -91.000 TYR 156 0.840 27.873 -4.169 76.614 -99.200 -91.000 TYR 159 0.840 41.172 -2.765 78.479 -99.200 -91.000 PHE 163 1.000 35.403 10.429 80.703 -99.200 -91.000 PHE 196 1.000 55.586 5.134 92.399 -99.200 -91.000 HIS 203 0.900 58.020 17.147 82.869 -99.200 -91.000 PHE 213 1.000 44.902 10.583 89.670 -99.200 -91.000 PHE 235 1.000 21.820 5.588 95.921 -99.200 -91.000 TRP 239 1.040 18.077 13.553 81.293 -99.200 -91.000 TRP6 239 1.020 19.991 14.892 81.645 -99.200 -91.000 HIS 255 0.900 49.395 12.314 75.802 -99.200 -91.000 PHE 263 1.000 47.241 13.762 86.313 -99.200 -91.000 HIS 264 0.900 51.322 14.920 79.952 -99.200 -91.000 PHE 285 1.000 18.906 17.326 89.296 -99.200 -91.000 TYR 293 0.840 20.819 23.409 90.981 -99.200 -91.000 PHE 297 1.000 20.481 10.952 96.062 -99.200 -91.000 TRP 298 1.040 24.875 18.079 95.244 -99.200 -91.000 TRP6 298 1.020 26.190 18.878 93.456 -99.200 -91.000 TYR 332 0.840 38.158 3.778 100.595 -99.200 -91.000 PHE 342 1.000 35.844 2.073 96.666 -99.200 -91.000 TRP 365 1.040 13.363 13.711 92.312 -99.200 -91.000 TRP6 365 1.020 13.519 12.367 90.372 -99.200 -91.000 PHE 369 1.000 27.046 17.050 88.294 -99.200 -91.000 PHE 371 1.000 33.138 16.808 88.350 -99.200 -91.000