============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 5 0.840 8.560 9.225 -7.806 -99.200 -91.000 PHE 23 1.000 5.784 -17.967 9.353 -99.200 -91.000 TYR 33 0.840 19.726 -13.553 -1.675 -99.200 -91.000 TYR 43 0.840 2.920 -19.062 0.223 -99.200 -91.000 PHE 47 1.000 -4.561 -19.809 6.915 -99.200 -91.000 PHE 49 1.000 -6.903 -16.339 3.615 -99.200 -91.000 TRP 59 1.040 -7.915 -8.918 19.415 -99.200 -91.000 TRP6 59 1.020 -7.149 -8.194 21.535 -99.200 -91.000 PHE 86 1.000 3.569 -16.303 4.512 -99.200 -91.000 HIS 95 0.900 18.898 -0.469 -0.690 -99.200 -91.000 TRP 130 1.040 6.119 -3.476 -9.423 -99.200 -91.000 TRP6 130 1.020 6.346 -5.064 -11.171 -99.200 -91.000 HIS 133 0.900 -1.050 -7.327 -11.331 -99.200 -91.000 PHE 137 1.000 -8.662 -11.967 2.754 -99.200 -91.000 PHE 151 1.000 -7.805 -8.598 11.623 -99.200 -91.000 HIS 162 0.900 15.498 5.985 -1.660 -99.200 -91.000 HIS 163 0.900 13.910 7.022 -5.833 -99.200 -91.000 TYR 168 0.840 -1.890 -2.741 -12.934 -99.200 -91.000 TYR 170 0.840 -10.113 -6.731 -4.420 -99.200 -91.000 TYR 172 0.840 -11.212 -8.450 -0.124 -99.200 -91.000 TYR 174 0.840 -5.723 -4.460 5.891 -99.200 -91.000 TYR 182 0.840 7.724 6.472 13.293 -99.200 -91.000 TYR 196 0.840 0.865 4.771 -2.464 -99.200 -91.000 HIS 197 0.900 0.842 1.947 -11.788 -99.200 -91.000 HIS 198 0.900 -3.354 1.400 -13.917 -99.200 -91.000 PHE 201 1.000 -6.029 1.913 -2.761 -99.200 -91.000 HIS 217 0.900 1.882 9.996 -11.147 -99.200 -91.000 TYR 219 0.840 -0.367 6.368 -12.882 -99.200 -91.000 TYR 222 0.840 -13.730 1.164 -8.150 -99.200 -91.000 PHE 223 1.000 -8.750 6.121 -4.115 -99.200 -91.000 TYR 245 0.840 -15.199 5.325 -11.632 -99.200 -91.000 PHE 246 1.000 -10.630 10.018 -5.868 -99.200 -91.000 TYR 263 0.840 0.892 22.297 1.268 -99.200 -91.000 TRP 264 1.040 -5.325 18.731 -2.516 -99.200 -91.000 TRP6 264 1.020 -5.372 18.358 -0.182 -99.200 -91.000 TYR 270 0.840 -16.464 8.909 -13.279 -99.200 -91.000 TRP 277 1.040 -16.154 16.450 0.453 -99.200 -91.000 TRP6 277 1.020 -13.813 16.150 0.257 -99.200 -91.000 TYR 286 0.840 -10.929 20.801 8.490 -99.200 -91.000 TRP 292 1.040 -13.288 16.840 -6.180 -99.200 -91.000 TRP6 292 1.020 -12.112 14.819 -5.861 -99.200 -91.000 PHE 298 1.000 5.245 15.448 -8.046 -99.200 -91.000 TYR 304 0.840 7.120 7.985 -12.607 -99.200 -91.000 TYR 306 0.840 2.323 9.510 -15.747 -99.200 -91.000