============================================================================= 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 0.840 175.454 -58.316 20.681 -99.200 -91.000 TYR 16 0.840 172.806 -46.918 31.361 -99.200 -91.000 PHE 17 1.000 171.708 -54.061 34.075 -99.200 -91.000 PHE 27 1.000 180.890 -60.448 44.897 -99.200 -91.000 TYR 39 0.840 166.788 -65.473 29.553 -99.200 -91.000 TRP 46 1.040 156.960 -66.298 44.068 -99.200 -91.000 TRP6 46 1.020 155.912 -67.833 42.610 -99.200 -91.000 TYR 55 0.840 169.241 -65.703 54.259 -99.200 -91.000 HIS 64 0.900 156.264 -54.916 54.379 -99.200 -91.000 PHE 69 1.000 165.440 -51.217 44.074 -99.200 -91.000 PHE 74 1.000 170.216 -57.012 38.541 -99.200 -91.000 PHE 77 1.000 170.455 -51.229 39.361 -99.200 -91.000 HIS 101 0.900 168.069 -61.588 36.199 -99.200 -91.000 TYR 120 0.840 169.009 -71.015 36.533 -99.200 -91.000 TYR 132 0.840 163.794 -60.247 28.519 -99.200 -91.000 TYR 133 0.840 156.245 -57.219 22.787 -99.200 -91.000 HIS 134 0.900 153.050 -57.906 27.596 -99.200 -91.000 PHE 135 1.000 161.661 -55.968 32.930 -99.200 -91.000 TYR 136 0.840 163.743 -56.001 25.321 -99.200 -91.000 HIS 137 0.900 156.382 -52.318 24.151 -99.200 -91.000 HIS 142 0.900 164.963 -53.786 29.178 -99.200 -91.000 TRP 148 1.040 154.165 -61.784 19.972 -99.200 -91.000 TRP6 148 1.020 155.502 -62.679 21.693 -99.200 -91.000 PHE 151 1.000 161.092 -59.509 23.047 -99.200 -91.000 PHE 155 1.000 162.793 -65.747 24.479 -99.200 -91.000 TYR 162 0.840 171.178 -59.886 32.211 -99.200 -91.000 TRP 165 1.040 164.484 -69.521 28.736 -99.200 -91.000 TRP6 165 1.020 164.137 -71.759 28.000 -99.200 -91.000 TYR 166 0.840 165.663 -71.426 23.005 -99.200 -91.000 HIS 168 0.900 170.795 -67.604 32.515 -99.200 -91.000 TRP 172 1.040 173.326 -70.220 35.206 -99.200 -91.000 TRP6 172 1.020 174.318 -69.597 37.258 -99.200 -91.000 TRP 173 1.040 169.878 -79.926 34.238 -99.200 -91.000 TRP6 173 1.020 168.136 -80.158 35.824 -99.200 -91.000 HIS 179 0.900 178.797 -73.843 42.840 -99.200 -91.000 TYR 183 0.840 167.635 -75.771 36.791 -99.200 -91.000 PHE 185 1.000 162.305 -77.039 36.269 -99.200 -91.000 TYR 186 0.840 156.310 -68.185 37.418 -99.200 -91.000 PHE 203 1.000 170.562 -75.104 48.262 -99.200 -91.000 HIS 206 0.900 168.417 -70.431 57.737 -99.200 -91.000 PHE 215 1.000 153.001 -64.033 57.995 -99.200 -91.000 HIS 219 0.900 151.522 -61.567 54.296 -99.200 -91.000 PHE 222 1.000 150.664 -61.172 39.990 -99.200 -91.000 TYR 233 0.840 161.893 -54.553 40.989 -99.200 -91.000 PHE 240 1.000 166.825 -45.191 35.556 -99.200 -91.000 HIS 243 0.900 155.783 -50.273 37.856 -99.200 -91.000 PHE 248 1.000 159.283 -56.647 38.125 -99.200 -91.000 TRP 257 1.040 152.387 -70.622 26.697 -99.200 -91.000 TRP6 257 1.020 151.772 -71.664 24.656 -99.200 -91.000 PHE 261 1.000 154.704 -67.878 21.764 -99.200 -91.000 PHE 269 1.000 159.332 -70.621 21.341 -99.200 -91.000 TYR 273 0.840 161.626 -75.886 23.971 -99.200 -91.000 PHE 284 1.000 162.125 -75.271 31.371 -99.200 -91.000