============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TRP 16 1.040 0.072 1.915 -24.819 -99.200 -91.000 TRP6 16 1.020 0.631 1.512 -22.547 -99.200 -91.000 TYR 25 0.840 -1.873 -15.667 -15.374 -99.200 -91.000 PHE 29 1.000 -3.778 -18.015 -12.550 -99.200 -91.000 TYR 44 0.840 -11.793 9.876 -21.166 -99.200 -91.000 PHE 53 1.000 1.328 13.409 -7.026 -99.200 -91.000 PHE 63 1.000 1.750 9.151 7.339 -99.200 -91.000 TYR 67 0.840 2.934 3.384 10.518 -99.200 -91.000 TYR 80 0.840 2.133 1.115 26.743 -99.200 -91.000 HIS 82 0.900 7.604 -7.727 23.434 -99.200 -91.000 PHE 95 1.000 -3.100 -12.719 9.667 -99.200 -91.000 TRP 100 1.040 3.426 -11.508 20.367 -99.200 -91.000 TRP6 100 1.020 4.513 -9.458 19.949 -99.200 -91.000 TYR 103 0.840 9.030 -10.286 17.912 -99.200 -91.000 TYR 112 0.840 21.473 -18.113 12.577 -99.200 -91.000 PHE 117 1.000 21.480 -3.125 8.587 -99.200 -91.000 PHE 122 1.000 6.722 0.699 5.817 -99.200 -91.000 TYR 126 0.840 -2.104 10.080 2.212 -99.200 -91.000 PHE 142 1.000 2.679 3.745 6.405 -99.200 -91.000 PHE 149 1.000 -3.224 -3.275 -7.825 -99.200 -91.000 HIS 160 0.900 -5.464 6.574 -18.012 -99.200 -91.000 TYR 162 0.840 0.133 5.424 -27.615 -99.200 -91.000 TYR 169 0.840 -7.084 10.185 -23.190 -99.200 -91.000 TYR 176 0.840 -6.640 14.733 -19.843 -99.200 -91.000 TYR 188 0.840 14.835 2.892 -11.231 -99.200 -91.000 TYR 201 0.840 22.611 -11.577 2.685 -99.200 -91.000 PHE 212 1.000 10.023 -10.497 -6.593 -99.200 -91.000 PHE 222 1.000 0.567 -11.691 -16.190 -99.200 -91.000 PHE 235 1.000 18.278 -0.990 -9.344 -99.200 -91.000 PHE 244 1.000 3.955 -18.593 3.325 -99.200 -91.000 PHE 252 1.000 21.087 -25.365 2.306 -99.200 -91.000 PHE 261 1.000 23.613 -20.564 1.310 -99.200 -91.000 TYR 273 0.840 8.620 -7.641 -2.791 -99.200 -91.000 TYR 274 0.840 7.697 -12.554 4.065 -99.200 -91.000 TYR 278 0.840 -1.845 -10.301 1.365 -99.200 -91.000 TYR 283 0.840 0.569 -17.014 7.064 -99.200 -91.000 TRP 289 1.040 0.052 -20.158 10.387 -99.200 -91.000 TRP6 289 1.020 0.054 -17.797 10.587 -99.200 -91.000 PHE 294 1.000 13.844 -22.395 6.270 -99.200 -91.000 PHE 299 1.000 23.188 -12.365 8.386 -99.200 -91.000 TYR 329 0.840 6.353 5.557 18.779 -99.200 -91.000 PHE 343 1.000 -2.261 10.679 11.852 -99.200 -91.000 TYR 347 0.840 -13.319 9.024 18.783 -99.200 -91.000 TYR 369 0.840 -17.785 8.635 14.275 -99.200 -91.000 TYR 383 0.840 -18.208 1.843 4.745 -99.200 -91.000 PHE 390 1.000 -20.478 -5.992 13.186 -99.200 -91.000 HIS 398 0.900 -16.294 -11.295 22.328 -99.200 -91.000 TRP 399 1.040 -19.496 -3.903 21.062 -99.200 -91.000 TRP6 399 1.020 -20.730 -2.011 21.770 -99.200 -91.000 TYR 402 0.840 -15.444 -5.362 14.763 -99.200 -91.000 TYR 425 0.840 -18.833 -1.995 -16.070 -99.200 -91.000 TYR 436 0.840 3.138 1.956 -4.656 -99.200 -91.000 PHE 441 1.000 12.675 -0.438 9.906 -99.200 -91.000 PHE 451 1.000 7.265 9.889 -4.386 -99.200 -91.000 PHE 460 1.000 -18.693 0.550 -11.189 -99.200 -91.000 PHE 472 1.000 -15.546 -3.209 -12.353 -99.200 -91.000 TYR 481 0.840 -8.176 20.124 -9.635 -99.200 -91.000