============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 4 0.840 66.990 -7.670-102.684 -99.200 -91.000 TYR 6 0.840 66.478 -15.376 -95.603 -99.200 -91.000 TYR 12 0.840 45.657 -10.713 -84.569 -99.200 -91.000 TRP 16 1.040 43.989 -14.030 -74.424 -99.200 -91.000 TRP6 16 1.020 41.770 -14.583 -73.835 -99.200 -91.000 TYR 27 0.840 54.855 -20.887 -67.230 -99.200 -91.000 TYR 29 0.840 54.284 -20.272 -73.318 -99.200 -91.000 TYR 37 0.840 36.770 -23.890 -87.365 -99.200 -91.000 HIS 39 0.900 35.208 -27.163 -90.796 -99.200 -91.000 TRP 41 1.040 32.902 -23.073 -82.884 -99.200 -91.000 TRP6 41 1.020 31.492 -21.979 -81.342 -99.200 -91.000 PHE 43 1.000 26.005 -16.503 -89.187 -99.200 -91.000 PHE 50 1.000 31.118 -7.228 -92.271 -99.200 -91.000 PHE 59 1.000 49.785 -6.020 -87.174 -99.200 -91.000 TYR 68 0.840 17.411 -14.323 -89.780 -99.200 -91.000 HIS 89 0.900 51.108 -11.747 -97.964 -99.200 -91.000 TYR 105 0.840 42.321 -25.727 -74.349 -99.200 -91.000 HIS 109 0.900 33.525 -17.935 -66.447 -99.200 -91.000 TYR 131 0.840 27.851 -4.143 -79.390 -99.200 -91.000 TYR 134 0.840 26.055 -1.049 -70.514 -99.200 -91.000 PHE 140 1.000 30.310 1.431 -66.341 -99.200 -91.000 PHE 148 1.000 32.942 4.880 -55.235 -99.200 -91.000 PHE 173 1.000 32.028 -3.277 -62.470 -99.200 -91.000 TYR 175 0.840 32.421 -13.673 -57.078 -99.200 -91.000 PHE 183 1.000 36.454 -20.894 -68.676 -99.200 -91.000 HIS 191 0.900 44.323 -10.958 -71.269 -99.200 -91.000 HIS 203 0.900 22.539 -5.219 -72.938 -99.200 -91.000 PHE 212 1.000 39.937 -3.201 -77.377 -99.200 -91.000 TYR 224 0.840 49.718 -1.506 -74.528 -99.200 -91.000 TRP 236 1.040 47.857 -2.558 -66.093 -99.200 -91.000 TRP6 236 1.020 48.312 -0.415 -66.976 -99.200 -91.000 PHE 243 1.000 66.817 -9.506 -64.884 -99.200 -91.000 TYR 247 0.840 54.143 -11.575 -71.495 -99.200 -91.000 PHE 249 1.000 49.371 -21.061 -65.877 -99.200 -91.000 TRP 254 1.040 52.872 -7.084 -60.930 -99.200 -91.000 TRP6 254 1.020 54.466 -7.059 -59.189 -99.200 -91.000 TYR 256 0.840 42.223 -9.800 -59.670 -99.200 -91.000 PHE 259 1.000 40.360 -5.071 -62.963 -99.200 -91.000 TRP 261 1.040 46.581 1.729 -57.084 -99.200 -91.000 TRP6 261 1.020 46.446 3.463 -58.684 -99.200 -91.000 PHE 264 1.000 38.188 -1.938 -55.082 -99.200 -91.000 TYR 271 0.840 53.451 1.355 -60.310 -99.200 -91.000 PHE 280 1.000 57.603 1.457 -63.167 -99.200 -91.000 TYR 281 0.840 61.621 -0.884 -66.958 -99.200 -91.000 PHE 288 1.000 57.411 3.234 -55.288 -99.200 -91.000 HIS 295 0.900 36.843 6.511 -53.582 -99.200 -91.000 TYR 301 0.840 47.024 -1.562 -49.535 -99.200 -91.000 TRP 308 1.040 50.665 -5.406 -57.058 -99.200 -91.000 TRP6 308 1.020 49.799 -3.504 -55.963 -99.200 -91.000 PHE 318 1.000 44.153 -14.592 -61.895 -99.200 -91.000