============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 7 0.840 12.930 -9.701 -14.230 -99.200 -91.000 HIS 21 0.900 7.960 -18.474 -17.261 -99.200 -91.000 HIS 33 0.900 11.306 11.896 2.550 -99.200 -91.000 TRP 37 1.040 6.304 15.801 5.139 -99.200 -91.000 TRP6 37 1.020 7.417 14.076 6.295 -99.200 -91.000 PHE 38 1.000 10.164 15.723 0.362 -99.200 -91.000 HIS 40 0.900 7.003 18.965 -3.961 -99.200 -91.000 TYR 52 0.840 9.161 5.158 -19.999 -99.200 -91.000 TRP 54 1.040 16.956 7.908 -12.880 -99.200 -91.000 TRP6 54 1.020 17.542 8.154 -10.610 -99.200 -91.000 TYR 64 0.840 6.919 9.305 6.575 -99.200 -91.000 TYR 70 0.840 -5.015 5.986 5.601 -99.200 -91.000 PHE 77 1.000 -2.004 11.563 2.686 -99.200 -91.000 HIS 82 0.900 -7.115 2.774 -4.912 -99.200 -91.000 TYR 94 0.840 7.680 -6.709 -11.108 -99.200 -91.000 TRP 99 1.040 0.121 0.848 7.509 -99.200 -91.000 TRP6 99 1.020 -1.768 2.053 6.797 -99.200 -91.000 HIS 100 0.900 7.989 5.137 5.578 -99.200 -91.000 HIS 108 0.900 -3.035 -4.099 17.665 -99.200 -91.000 TYR 109 0.840 -1.029 5.171 17.498 -99.200 -91.000 PHE 117 1.000 -3.372 1.942 1.872 -99.200 -91.000 PHE 118 1.000 -1.466 -2.657 3.464 -99.200 -91.000 HIS 125 0.900 -4.687 -1.006 -7.450 -99.200 -91.000 TYR 133 0.840 -0.922 -5.782 -1.644 -99.200 -91.000 TRP 144 1.040 9.762 -12.432 15.136 -99.200 -91.000 TRP6 144 1.020 9.323 -11.236 13.151 -99.200 -91.000 TYR 150 0.840 0.752 -4.838 11.790 -99.200 -91.000 TRP 174 1.040 13.624 2.770 14.160 -99.200 -91.000 TRP6 174 1.020 14.678 2.438 16.244 -99.200 -91.000 TYR 200 0.840 10.113 -12.841 7.475 -99.200 -91.000 PHE 202 1.000 19.578 -5.214 7.083 -99.200 -91.000 HIS 203 0.900 13.660 -0.327 6.110 -99.200 -91.000 PHE 204 1.000 22.044 -1.343 3.257 -99.200 -91.000 TYR 205 0.840 19.132 4.977 6.136 -99.200 -91.000 HIS 209 0.900 22.475 1.277 10.285 -99.200 -91.000 TYR 213 0.840 23.084 -2.288 11.768 -99.200 -91.000 PHE 224 1.000 14.600 -14.406 7.591 -99.200 -91.000 PHE 227 1.000 12.577 -5.603 -2.500 -99.200 -91.000 PHE 231 1.000 20.303 0.964 -0.872 -99.200 -91.000 TYR 236 0.840 21.442 7.777 13.391 -99.200 -91.000 PHE 244 1.000 28.587 7.439 -2.750 -99.200 -91.000 TYR 250 0.840 25.325 -2.851 3.997 -99.200 -91.000 TRP 261 1.040 19.525 -2.942 -4.507 -99.200 -91.000 TRP6 261 1.020 19.591 -0.948 -5.780 -99.200 -91.000 TRP 264 1.040 14.678 7.646 2.903 -99.200 -91.000 TRP6 264 1.020 12.331 7.383 2.825 -99.200 -91.000 TYR 266 0.840 12.796 9.361 -8.799 -99.200 -91.000 PHE 270 1.000 17.339 19.064 5.135 -99.200 -91.000 PHE 276 1.000 15.583 13.417 -8.897 -99.200 -91.000 TRP 287 1.040 12.696 14.293 -14.121 -99.200 -91.000 TRP6 287 1.020 11.949 15.371 -12.158 -99.200 -91.000 TRP 298 1.040 26.998 4.410 -5.231 -99.200 -91.000 TRP6 298 1.020 25.256 3.236 -4.161 -99.200 -91.000