============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 9 1.000 14.368 20.724 -0.347 -99.200 -91.000 TYR 10 0.840 7.625 26.686 5.881 -99.200 -91.000 TYR 41 0.840 8.797 22.512 14.033 -99.200 -91.000 TRP 42 1.040 15.720 18.426 14.064 -99.200 -91.000 TRP6 42 1.020 17.040 16.570 14.634 -99.200 -91.000 PHE 47 1.000 6.754 19.685 19.323 -99.200 -91.000 TYR 59 0.840 7.217 23.199 9.726 -99.200 -91.000 TYR 75 0.840 16.834 12.977 18.290 -99.200 -91.000 HIS 79 0.900 14.745 2.408 26.138 -99.200 -91.000 TYR 85 0.840 27.289 14.498 26.030 -99.200 -91.000 PHE 90 1.000 6.413 10.396 22.660 -99.200 -91.000 TYR 96 0.840 8.416 6.170 17.862 -99.200 -91.000 TRP 99 1.040 5.093 11.827 18.820 -99.200 -91.000 TRP6 99 1.020 7.122 11.644 17.598 -99.200 -91.000 PHE 136 1.000 17.077 -3.267 14.654 -99.200 -91.000 TYR 141 0.840 2.703 1.675 14.297 -99.200 -91.000 TYR 155 0.840 14.167 10.839 1.534 -99.200 -91.000 HIS 160 0.900 28.831 8.795 11.017 -99.200 -91.000 TRP 163 1.040 27.232 4.787 14.392 -99.200 -91.000 TRP6 163 1.020 25.752 6.520 15.006 -99.200 -91.000 PHE 184 1.000 20.296 5.185 2.102 -99.200 -91.000 PHE 191 1.000 30.014 18.319 12.872 -99.200 -91.000 TYR 192 0.840 32.234 11.480 9.431 -99.200 -91.000 TYR 200 0.840 27.653 4.447 4.916 -99.200 -91.000 HIS 212 0.900 15.942 6.899 -5.723 -99.200 -91.000 TYR 213 0.840 22.379 8.643 -1.339 -99.200 -91.000 TRP 232 1.040 30.284 12.314 18.317 -99.200 -91.000 TRP6 232 1.020 28.808 12.873 20.075 -99.200 -91.000 HIS 252 0.900 20.761 4.906 -7.250 -99.200 -91.000 TYR 256 0.840 24.408 17.520 -2.254 -99.200 -91.000 TRP 258 1.040 22.142 23.326 5.149 -99.200 -91.000 TRP6 258 1.020 22.598 25.549 5.818 -99.200 -91.000 PHE 279 1.000 20.466 29.935 16.865 -99.200 -91.000 TYR 283 0.840 28.158 26.338 20.090 -99.200 -91.000 HIS 289 0.900 34.858 34.514 10.334 -99.200 -91.000