============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 4 0.840 10.909 15.072 9.752 -99.200 -91.000 PHE 6 1.000 13.041 19.999 10.825 -99.200 -91.000 TRP 23 1.040 11.366 14.103 14.749 -99.200 -91.000 TRP6 23 1.020 13.401 15.325 14.781 -99.200 -91.000 HIS 29 0.900 6.176 10.924 26.334 -99.200 -91.000 PHE 31 1.000 5.986 17.457 28.858 -99.200 -91.000 PHE 36 1.000 0.138 21.496 21.586 -99.200 -91.000 TYR 48 0.840 9.758 18.864 30.133 -99.200 -91.000 TYR 53 0.840 16.637 27.237 35.156 -99.200 -91.000 HIS 54 0.900 19.955 21.614 36.965 -99.200 -91.000 PHE 55 1.000 18.173 19.952 26.518 -99.200 -91.000 PHE 56 1.000 17.517 28.232 29.522 -99.200 -91.000 PHE 59 1.000 18.930 25.555 23.866 -99.200 -91.000 HIS 68 0.900 34.813 26.555 19.197 -99.200 -91.000 PHE 78 1.000 24.320 29.287 16.460 -99.200 -91.000 PHE 84 1.000 13.024 33.581 22.255 -99.200 -91.000 TYR 92 0.840 7.588 28.287 30.970 -99.200 -91.000 PHE 93 1.000 13.209 26.431 31.942 -99.200 -91.000 PHE 97 1.000 11.991 25.961 37.691 -99.200 -91.000 TYR 107 0.840 14.835 27.634 40.369 -99.200 -91.000 HIS 113 0.900 15.503 10.487 34.800 -99.200 -91.000 PHE 119 1.000 19.288 15.266 25.411 -99.200 -91.000 TYR 123 0.840 28.198 21.039 29.646 -99.200 -91.000 TYR 131 0.840 28.381 26.280 13.052 -99.200 -91.000 HIS 133 0.900 30.587 15.604 16.031 -99.200 -91.000 TYR 144 0.840 11.583 20.086 23.300 -99.200 -91.000 TRP 147 1.040 7.527 19.248 21.664 -99.200 -91.000 TRP6 147 1.020 6.422 20.904 22.958 -99.200 -91.000 TYR 158 0.840 3.459 32.198 31.835 -99.200 -91.000 HIS 160 0.900 -0.906 23.421 31.922 -99.200 -91.000 TRP 163 1.040 7.942 23.461 27.643 -99.200 -91.000 TRP6 163 1.020 10.022 24.573 27.936 -99.200 -91.000 HIS 167 0.900 9.984 25.053 23.416 -99.200 -91.000 PHE 171 1.000 12.911 34.757 17.422 -99.200 -91.000 PHE 172 1.000 11.757 26.917 18.539 -99.200 -91.000 TRP 175 1.040 16.622 28.852 16.971 -99.200 -91.000 TRP6 175 1.020 18.897 29.541 16.894 -99.200 -91.000 PHE 178 1.000 21.454 30.344 11.870 -99.200 -91.000 TRP 197 1.040 19.769 12.652 13.798 -99.200 -91.000 TRP6 197 1.020 19.359 14.899 13.148 -99.200 -91.000 PHE 207 1.000 14.801 16.245 29.862 -99.200 -91.000 PHE 208 1.000 8.733 15.419 25.228 -99.200 -91.000 TYR 212 0.840 3.955 11.593 32.025 -99.200 -91.000