============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 20 1.000 19.479 22.312 13.901 -99.200 -91.000 TRP 26 1.040 23.567 14.215 -4.531 -99.200 -91.000 TRP6 26 1.020 21.704 15.255 -3.501 -99.200 -91.000 HIS 31 0.900 25.310 21.572 -4.545 -99.200 -91.000 PHE 33 1.000 22.535 18.671 3.003 -99.200 -91.000 TRP 50 1.040 20.380 27.673 14.612 -99.200 -91.000 TRP6 50 1.020 19.538 28.890 12.750 -99.200 -91.000 PHE 51 1.000 12.875 31.281 12.952 -99.200 -91.000 PHE 71 1.000 2.205 33.914 14.715 -99.200 -91.000 TYR 74 0.840 14.290 43.809 13.804 -99.200 -91.000 HIS 88 0.900 6.732 24.275 4.492 -99.200 -91.000 TYR 98 0.840 17.752 24.595 -2.031 -99.200 -91.000 PHE 114 1.000 14.103 45.280 7.877 -99.200 -91.000 TYR 119 0.840 14.927 50.508 6.791 -99.200 -91.000 TYR 123 0.840 3.007 51.618 10.857 -99.200 -91.000 TRP 130 1.040 2.232 30.328 8.654 -99.200 -91.000 TRP6 130 1.020 0.489 31.261 9.961 -99.200 -91.000 PHE 131 1.000 2.007 21.195 13.875 -99.200 -91.000 PHE 138 1.000 1.076 14.740 13.272 -99.200 -91.000 TRP 148 1.040 -3.274 33.219 12.773 -99.200 -91.000 TRP6 148 1.020 -3.762 34.421 10.790 -99.200 -91.000 HIS 150 0.900 -11.152 31.475 14.236 -99.200 -91.000 TYR 158 0.840 -4.047 21.058 20.602 -99.200 -91.000 TYR 172 0.840 -2.109 18.336 24.211 -99.200 -91.000 TYR 180 0.840 8.979 24.779 19.909 -99.200 -91.000 TYR 188 0.840 -9.731 35.683 11.686 -99.200 -91.000 HIS 196 0.900 1.930 34.888 5.367 -99.200 -91.000 PHE 197 1.000 4.259 41.498 1.358 -99.200 -91.000 HIS 200 0.900 7.397 27.136 -1.340 -99.200 -91.000 TYR 223 0.840 -4.707 21.829 -1.816 -99.200 -91.000 TRP 225 1.040 -4.800 16.589 -0.310 -99.200 -91.000 TRP6 225 1.020 -3.130 16.806 1.346 -99.200 -91.000 HIS 231 0.900 -14.873 -1.637 3.826 -99.200 -91.000 HIS 236 0.900 -5.403 -20.631 -0.287 -99.200 -91.000 TRP 242 1.040 -10.193 -15.841 -12.591 -99.200 -91.000 TRP6 242 1.020 -8.891 -13.956 -12.018 -99.200 -91.000 HIS 266 0.900 -13.443 17.119 -16.670 -99.200 -91.000 PHE 270 1.000 -6.024 10.085 -8.637 -99.200 -91.000 TYR 280 0.840 1.767 -6.096 3.764 -99.200 -91.000 PHE 291 1.000 -8.007 4.092 -3.656 -99.200 -91.000 PHE 295 1.000 -9.701 13.273 -8.287 -99.200 -91.000 HIS 297 0.900 -9.149 22.678 -13.717 -99.200 -91.000 PHE 314 1.000 -13.380 6.358 -7.476 -99.200 -91.000 TYR 328 0.840 -16.845 4.256 -3.307 -99.200 -91.000 PHE 341 1.000 -1.606 34.218 -3.003 -99.200 -91.000 HIS 342 0.900 -5.909 42.947 -0.899 -99.200 -91.000 PHE 354 1.000 7.443 44.252 -13.658 -99.200 -91.000 PHE 357 1.000 15.752 40.323 -10.259 -99.200 -91.000 TRP 366 1.040 -2.336 29.411 -12.632 -99.200 -91.000 TRP6 366 1.020 -2.314 27.060 -12.240 -99.200 -91.000 HIS 371 0.900 2.911 27.471 -1.616 -99.200 -91.000 HIS 379 0.900 -9.668 35.201 8.157 -99.200 -91.000 PHE 386 1.000 5.555 29.978 -6.614 -99.200 -91.000 HIS 395 0.900 6.087 17.865 -1.930 -99.200 -91.000 TYR 397 0.840 16.334 11.839 -0.060 -99.200 -91.000 TYR 398 0.840 19.377 13.327 -6.400 -99.200 -91.000 TYR 400 0.840 21.119 23.653 -7.292 -99.200 -91.000 PHE 410 1.000 17.502 38.961 1.686 -99.200 -91.000 TYR 420 0.840 1.543 46.093 3.726 -99.200 -91.000 TYR 423 0.840 -0.680 51.159 1.287 -99.200 -91.000 HIS 429 0.900 1.662 60.291 8.248 -99.200 -91.000 PHE 431 1.000 -7.976 56.192 4.578 -99.200 -91.000