============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 25.362 -10.035 46.320 -99.200 -91.000 PHE 4 1.000 17.461 -0.471 50.071 -99.200 -91.000 TRP 12 1.040 11.426 -3.327 39.662 -99.200 -91.000 TRP6 12 1.020 11.205 -3.896 41.953 -99.200 -91.000 TRP 16 1.040 14.633 -12.845 43.124 -99.200 -91.000 TRP6 16 1.020 12.727 -11.514 43.650 -99.200 -91.000 TYR 19 0.840 14.111 -7.983 47.977 -99.200 -91.000 HIS 25 0.900 25.804 -11.206 55.610 -99.200 -91.000 HIS 29 0.900 21.154 -1.156 54.930 -99.200 -91.000 HIS 30 0.900 20.679 5.110 59.576 -99.200 -91.000 TYR 39 0.840 14.254 14.260 52.501 -99.200 -91.000 TYR 41 0.840 15.412 4.925 52.786 -99.200 -91.000 TYR 42 0.840 16.986 3.185 60.757 -99.200 -91.000 HIS 47 0.900 6.855 -13.981 57.721 -99.200 -91.000 TRP 51 1.040 2.829 -11.540 60.878 -99.200 -91.000 TRP6 51 1.020 1.507 -12.135 59.002 -99.200 -91.000 HIS 57 0.900 -3.313 0.078 63.989 -99.200 -91.000 PHE 60 1.000 7.227 -0.154 62.843 -99.200 -91.000 TYR 70 0.840 12.140 11.034 55.891 -99.200 -91.000 HIS 79 0.900 -3.280 17.935 56.052 -99.200 -91.000 HIS 92 0.900 -7.836 1.818 57.281 -99.200 -91.000 PHE 95 1.000 -13.374 5.737 52.454 -99.200 -91.000 PHE 103 1.000 -13.327 -4.183 47.962 -99.200 -91.000 PHE 118 1.000 -9.753 -9.472 28.285 -99.200 -91.000 PHE 139 1.000 -0.645 -12.973 32.050 -99.200 -91.000 HIS 149 0.900 -18.012 -7.235 39.582 -99.200 -91.000 TYR 150 0.840 -14.215 -6.596 43.566 -99.200 -91.000 TRP 158 1.040 -16.799 -2.657 32.773 -99.200 -91.000 TRP6 158 1.020 -16.809 -5.014 33.088 -99.200 -91.000 PHE 161 1.000 -12.432 2.011 35.277 -99.200 -91.000 TRP 164 1.040 -11.228 7.689 30.760 -99.200 -91.000 TRP6 164 1.020 -13.384 7.429 31.726 -99.200 -91.000 TYR 185 0.840 -18.119 6.654 34.098 -99.200 -91.000 PHE 186 1.000 -15.340 5.932 38.636 -99.200 -91.000 HIS 204 0.900 -22.725 -1.568 50.459 -99.200 -91.000 PHE 225 1.000 -12.866 2.325 47.223 -99.200 -91.000 PHE 227 1.000 -7.956 9.121 40.108 -99.200 -91.000 HIS 249 0.900 10.181 -21.330 29.858 -99.200 -91.000 TYR 307 0.840 4.248 -5.129 52.609 -99.200 -91.000 TYR 317 0.840 7.259 -18.049 53.774 -99.200 -91.000 PHE 336 1.000 -3.069 -10.575 48.153 -99.200 -91.000 HIS 338 0.900 -0.814 -9.596 59.964 -99.200 -91.000 HIS 341 0.900 -3.837 0.925 56.177 -99.200 -91.000 HIS 342 0.900 -5.455 -9.219 54.000 -99.200 -91.000 PHE 367 1.000 4.119 -21.095 29.980 -99.200 -91.000 TRP 376 1.040 11.493 -7.437 34.830 -99.200 -91.000 TRP6 376 1.020 9.808 -8.497 36.090 -99.200 -91.000 TYR 381 0.840 8.378 2.858 46.827 -99.200 -91.000 PHE 390 1.000 2.165 -17.188 25.932 -99.200 -91.000