============================================================================= 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 0.840 119.587 -60.656 15.620 -99.200 -91.000 TYR 16 0.840 121.529 -48.736 5.075 -99.200 -91.000 PHE 17 1.000 122.903 -55.991 2.412 -99.200 -91.000 PHE 27 1.000 114.162 -63.174 -8.239 -99.200 -91.000 TYR 39 0.840 128.639 -67.036 6.805 -99.200 -91.000 TRP 46 1.040 138.470 -67.028 -7.773 -99.200 -91.000 TRP6 46 1.020 139.580 -68.604 -6.415 -99.200 -91.000 TYR 55 0.840 126.022 -67.479 -17.871 -99.200 -91.000 HIS 64 0.900 138.152 -55.898 -18.313 -99.200 -91.000 PHE 69 1.000 128.829 -52.664 -7.673 -99.200 -91.000 PHE 74 1.000 124.702 -58.737 -2.212 -99.200 -91.000 PHE 77 1.000 123.723 -52.988 -2.785 -99.200 -91.000 HIS 101 0.900 127.055 -63.057 0.273 -99.200 -91.000 TYR 120 0.840 126.877 -72.883 -0.349 -99.200 -91.000 TYR 132 0.840 131.253 -61.578 7.748 -99.200 -91.000 TYR 133 0.840 138.843 -58.001 13.352 -99.200 -91.000 HIS 134 0.900 142.007 -58.231 8.696 -99.200 -91.000 PHE 135 1.000 133.152 -57.163 3.301 -99.200 -91.000 TYR 136 0.840 131.056 -57.392 10.984 -99.200 -91.000 HIS 137 0.900 138.209 -53.307 12.125 -99.200 -91.000 HIS 142 0.900 129.503 -55.438 6.904 -99.200 -91.000 TRP 148 1.040 141.239 -62.438 16.233 -99.200 -91.000 TRP6 148 1.020 139.936 -63.581 14.614 -99.200 -91.000 PHE 151 1.000 133.952 -60.621 13.258 -99.200 -91.000 PHE 155 1.000 132.753 -67.161 11.933 -99.200 -91.000 TYR 162 0.840 124.017 -61.850 4.328 -99.200 -91.000 TRP 165 1.040 131.210 -70.842 7.573 -99.200 -91.000 TRP6 165 1.020 131.724 -73.002 8.393 -99.200 -91.000 TYR 166 0.840 130.319 -72.670 13.299 -99.200 -91.000 HIS 168 0.900 124.894 -69.572 3.888 -99.200 -91.000 TRP 172 1.040 122.602 -72.485 1.241 -99.200 -91.000 TRP6 172 1.020 121.474 -71.758 -0.700 -99.200 -91.000 TRP 173 1.040 126.870 -81.714 2.603 -99.200 -91.000 TRP6 173 1.020 128.354 -81.780 0.766 -99.200 -91.000 HIS 179 0.900 117.262 -76.277 -6.372 -99.200 -91.000 TYR 183 0.840 128.485 -77.298 -0.310 -99.200 -91.000 PHE 185 1.000 133.962 -78.250 0.098 -99.200 -91.000 TYR 186 0.840 139.222 -69.045 -1.100 -99.200 -91.000 PHE 203 1.000 125.383 -76.783 -11.766 -99.200 -91.000 HIS 206 0.900 127.135 -71.364 -21.308 -99.200 -91.000 PHE 215 1.000 142.097 -64.396 -21.782 -99.200 -91.000 HIS 219 0.900 143.269 -62.109 -18.285 -99.200 -91.000 PHE 222 1.000 144.460 -61.480 -3.750 -99.200 -91.000 TYR 233 0.840 132.598 -55.371 -5.316 -99.200 -91.000 PHE 240 1.000 127.485 -46.387 0.359 -99.200 -91.000 HIS 243 0.900 138.675 -51.058 -1.728 -99.200 -91.000 PHE 248 1.000 135.392 -57.794 -1.831 -99.200 -91.000 TRP 257 1.040 143.446 -71.080 9.470 -99.200 -91.000 TRP6 257 1.020 144.087 -71.977 11.544 -99.200 -91.000 PHE 261 1.000 140.999 -68.519 14.462 -99.200 -91.000 PHE 269 1.000 136.576 -71.687 14.911 -99.200 -91.000 TYR 273 0.840 134.650 -77.065 12.285 -99.200 -91.000 PHE 284 1.000 133.883 -76.543 5.027 -99.200 -91.000