============================================================================= 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 15.821 42.331 42.505 -99.200 -91.000 PHE 38 1.000 17.544 36.849 40.986 -99.200 -91.000 TYR 39 0.840 12.370 40.043 46.425 -99.200 -91.000 PHE 40 1.000 7.361 39.027 44.445 -99.200 -91.000 HIS 47 0.900 2.795 31.514 46.806 -99.200 -91.000 PHE 55 1.000 10.263 43.964 44.352 -99.200 -91.000 TYR 68 0.840 27.110 47.409 39.351 -99.200 -91.000 TYR 70 0.840 28.533 38.257 49.188 -99.200 -91.000 TYR 85 0.840 8.789 39.512 56.459 -99.200 -91.000 TRP 116 1.040 47.021 61.373 49.235 -99.200 -91.000 TRP6 116 1.020 47.845 60.005 50.969 -99.200 -91.000 HIS 125 0.900 44.028 60.777 62.500 -99.200 -91.000 TYR 141 0.840 42.948 43.054 63.143 -99.200 -91.000 TYR 152 0.840 52.713 54.048 63.193 -99.200 -91.000 TYR 156 0.840 38.926 58.148 64.801 -99.200 -91.000 TYR 159 0.840 31.153 47.271 62.958 -99.200 -91.000 PHE 163 1.000 22.746 58.763 60.725 -99.200 -91.000 PHE 196 1.000 17.337 38.600 48.755 -99.200 -91.000 HIS 203 0.900 5.441 42.713 58.289 -99.200 -91.000 PHE 235 1.000 33.603 68.207 45.512 -99.200 -91.000 TRP 239 1.040 28.252 75.232 59.973 -99.200 -91.000 TRP6 239 1.020 26.190 74.185 59.473 -99.200 -91.000 HIS 255 0.900 13.934 47.467 65.552 -99.200 -91.000 PHE 263 1.000 17.142 49.581 57.451 -99.200 -91.000 HIS 264 0.900 10.489 46.833 61.328 -99.200 -91.000 PHE 285 1.000 24.651 76.468 51.814 -99.200 -91.000 TYR 293 0.840 18.395 77.775 50.138 -99.200 -91.000 PHE 297 1.000 29.540 71.991 45.212 -99.200 -91.000 TRP 298 1.040 21.190 71.602 45.892 -99.200 -91.000 TRP6 298 1.020 19.767 70.872 47.630 -99.200 -91.000 HIS 301 0.900 21.251 57.993 51.091 -99.200 -91.000 TYR 332 0.840 27.326 53.058 40.577 -99.200 -91.000 PHE 342 1.000 29.788 54.236 44.530 -99.200 -91.000 TRP 365 1.040 30.417 79.356 49.002 -99.200 -91.000 TRP6 365 1.020 31.671 78.571 50.847 -99.200 -91.000 PHE 369 1.000 20.918 69.016 52.832 -99.200 -91.000 PHE 371 1.000 18.187 63.703 52.933 -99.200 -91.000