============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 0.154 -50.763 -12.899 -99.200 -91.000 PHE 31 1.000 3.226 -62.755 1.203 -99.200 -91.000 TYR 32 0.840 1.376 -59.856 -2.519 -99.200 -91.000 HIS 39 0.900 -4.623 -49.678 3.541 -99.200 -91.000 TYR 42 0.840 -13.122 -53.967 -9.104 -99.200 -91.000 TYR 49 0.840 -7.294 -53.898 -10.467 -99.200 -91.000 PHE 53 1.000 -1.520 -44.918 6.414 -99.200 -91.000 PHE 56 1.000 -1.586 -38.861 -6.557 -99.200 -91.000 HIS 58 0.900 -7.819 -48.560 -9.160 -99.200 -91.000 HIS 59 0.900 -3.692 -50.202 -10.294 -99.200 -91.000 PHE 76 1.000 9.572 -48.045 -14.722 -99.200 -91.000 TYR 90 0.840 13.807 -43.831 -25.954 -99.200 -91.000 TYR 91 0.840 10.647 -48.501 -24.625 -99.200 -91.000 PHE 105 1.000 -1.962 -52.843 -22.305 -99.200 -91.000 PHE 121 1.000 13.445 -57.589 -17.202 -99.200 -91.000 TYR 123 0.840 10.888 -51.260 -18.270 -99.200 -91.000 PHE 125 1.000 7.729 -46.579 -20.318 -99.200 -91.000 PHE 126 1.000 0.239 -45.215 -14.817 -99.200 -91.000 PHE 127 1.000 -1.202 -37.290 -16.648 -99.200 -91.000 HIS 131 0.900 -5.856 -38.056 -8.993 -99.200 -91.000 HIS 136 0.900 -1.954 -37.624 3.656 -99.200 -91.000 TYR 139 0.840 -1.404 -41.069 11.358 -99.200 -91.000 TYR 142 0.840 1.146 -46.444 10.463 -99.200 -91.000 HIS 152 0.900 13.703 -50.963 -4.496 -99.200 -91.000 PHE 153 1.000 8.492 -51.617 -10.719 -99.200 -91.000 TYR 166 0.840 16.424 -49.985 -22.109 -99.200 -91.000 PHE 172 1.000 14.686 -45.525 -15.280 -99.200 -91.000 TYR 186 0.840 30.631 -59.278 -10.240 -99.200 -91.000 TRP 189 1.040 20.735 -50.646 -6.146 -99.200 -91.000 TRP6 189 1.020 22.584 -52.162 -6.279 -99.200 -91.000 HIS 191 0.900 17.446 -40.462 -9.251 -99.200 -91.000 HIS 197 0.900 16.653 -49.094 -5.651 -99.200 -91.000 HIS 210 0.900 16.510 -60.426 -6.604 -99.200 -91.000 HIS 211 0.900 14.329 -56.844 -4.972 -99.200 -91.000 PHE 214 1.000 4.529 -52.735 -2.275 -99.200 -91.000 HIS 217 0.900 5.102 -43.663 7.770 -99.200 -91.000 HIS 220 0.900 8.186 -48.540 14.657 -99.200 -91.000 HIS 245 0.900 19.729 -53.735 1.004 -99.200 -91.000 PHE 251 1.000 16.225 -52.473 9.738 -99.200 -91.000 TYR 252 0.840 18.710 -56.122 3.930 -99.200 -91.000 TYR 254 0.840 15.933 -58.393 -0.145 -99.200 -91.000 HIS 261 0.900 5.313 -63.740 -8.642 -99.200 -91.000 TYR 266 0.840 14.825 -49.200 -0.162 -99.200 -91.000 TYR 270 0.840 22.059 -42.273 -0.860 -99.200 -91.000 TYR 271 0.840 17.853 -34.541 -3.156 -99.200 -91.000 TRP 282 1.040 28.806 -50.006 -2.230 -99.200 -91.000 TRP6 282 1.020 29.108 -50.145 0.128 -99.200 -91.000 HIS 285 0.900 36.079 -60.541 -4.848 -99.200 -91.000 TRP 292 1.040 26.935 -50.482 7.598 -99.200 -91.000 TRP6 292 1.020 28.716 -49.634 6.288 -99.200 -91.000 TRP 293 1.040 23.995 -54.070 10.462 -99.200 -91.000 TRP6 293 1.020 21.715 -54.596 10.844 -99.200 -91.000 TRP 301 1.040 18.418 -61.292 -2.428 -99.200 -91.000 TRP6 301 1.020 19.659 -59.875 -3.884 -99.200 -91.000 TYR 302 0.840 24.303 -63.414 -4.388 -99.200 -91.000 PHE 336 1.000 39.273 -62.321 -0.347 -99.200 -91.000 PHE 338 1.000 37.129 -56.269 0.765 -99.200 -91.000 TYR 348 0.840 34.069 -63.975 6.500 -99.200 -91.000 HIS 349 0.900 40.855 -66.560 1.828 -99.200 -91.000 PHE 356 1.000 25.286 -69.991 9.203 -99.200 -91.000