============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 88 rings ring int. center anis. iso. TRP 14 1.040 20.200 -30.226 15.869 -99.200 -91.000 TRP6 14 1.020 19.996 -29.229 17.997 -99.200 -91.000 HIS 20 0.900 23.867 -20.048 9.341 -99.200 -91.000 PHE 21 1.000 29.558 -24.012 14.175 -99.200 -91.000 PHE 33 1.000 26.938 -4.421 14.839 -99.200 -91.000 PHE 40 1.000 20.172 -0.353 18.710 -99.200 -91.000 TYR 43 0.840 20.060 -9.190 13.565 -99.200 -91.000 PHE 47 1.000 8.530 -6.141 29.140 -99.200 -91.000 TYR 55 0.840 17.711 -9.550 19.093 -99.200 -91.000 HIS 67 0.900 18.550 -22.051 8.519 -99.200 -91.000 PHE 69 1.000 13.155 -15.839 15.536 -99.200 -91.000 PHE 85 1.000 2.258 -18.303 30.870 -99.200 -91.000 HIS 100 0.900 7.285 -20.787 37.098 -99.200 -91.000 PHE 132 1.000 3.788 -12.062 60.189 -99.200 -91.000 TRP 141 1.040 4.837 -10.123 65.760 -99.200 -91.000 TRP6 141 1.020 3.233 -11.725 65.115 -99.200 -91.000 PHE 144 1.000 11.184 -12.973 75.415 -99.200 -91.000 TYR 165 0.840 22.189 -12.398 50.300 -99.200 -91.000 TYR 174 0.840 12.875 0.809 44.959 -99.200 -91.000 HIS 177 0.900 11.459 -0.467 61.155 -99.200 -91.000 HIS 181 0.900 20.376 -9.948 60.341 -99.200 -91.000 PHE 182 1.000 17.438 -12.907 53.025 -99.200 -91.000 HIS 190 0.900 25.019 -18.309 56.087 -99.200 -91.000 PHE 205 1.000 15.541 -16.373 64.776 -99.200 -91.000 PHE 212 1.000 8.668 -25.890 59.958 -99.200 -91.000 HIS 222 0.900 14.516 -28.404 65.350 -99.200 -91.000 TRP 227 1.040 20.626 -16.751 70.212 -99.200 -91.000 TRP6 227 1.020 19.021 -15.237 69.368 -99.200 -91.000 PHE 228 1.000 12.226 -16.793 71.551 -99.200 -91.000 HIS 237 0.900 6.961 -15.931 76.354 -99.200 -91.000 HIS 241 0.900 10.284 -13.030 69.721 -99.200 -91.000 PHE 242 1.000 11.966 -19.202 66.292 -99.200 -91.000 PHE 255 1.000 10.857 -24.399 65.242 -99.200 -91.000 PHE 263 1.000 2.525 -15.862 56.838 -99.200 -91.000 PHE 265 1.000 6.270 -23.133 49.498 -99.200 -91.000 TRP 266 1.040 -1.056 -23.907 47.137 -99.200 -91.000 TRP6 266 1.020 -0.643 -21.588 47.091 -99.200 -91.000 TRP 268 1.040 -0.087 -25.530 41.972 -99.200 -91.000 TRP6 268 1.020 0.011 -23.208 42.381 -99.200 -91.000 TYR 273 0.840 11.447 -22.054 37.737 -99.200 -91.000 TRP 276 1.040 8.394 -15.472 41.018 -99.200 -91.000 TRP6 276 1.020 8.966 -13.280 40.348 -99.200 -91.000 TYR 289 0.840 1.072 -7.451 49.325 -99.200 -91.000 PHE 292 1.000 6.170 -10.509 47.061 -99.200 -91.000 HIS 300 0.900 -0.135 -10.575 35.016 -99.200 -91.000 HIS 305 0.900 7.595 -9.697 25.173 -99.200 -91.000 PHE 306 1.000 7.487 -17.541 27.285 -99.200 -91.000 PHE 311 1.000 7.436 -19.024 19.059 -99.200 -91.000 TRP 325 1.040 24.583 -19.437 16.410 -99.200 -91.000 TRP6 325 1.020 24.642 -20.964 14.613 -99.200 -91.000 TYR 326 0.840 26.359 -17.294 20.893 -99.200 -91.000 PHE 329 1.000 23.248 -26.126 16.097 -99.200 -91.000 HIS 330 0.900 29.424 -20.273 17.243 -99.200 -91.000 TYR 340 0.840 29.688 -3.462 33.542 -99.200 -91.000 TYR 343 0.840