============================================================================= 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. PHE 18 1.000 -0.950 -15.238 25.899 -99.200 -91.000 HIS 20 0.900 -12.943 -11.817 23.103 -99.200 -91.000 HIS 22 0.900 -11.698 -15.113 18.376 -99.200 -91.000 PHE 35 1.000 -16.411 -6.741 23.710 -99.200 -91.000 HIS 54 0.900 3.256 9.057 37.131 -99.200 -91.000 PHE 58 1.000 -9.120 2.824 26.632 -99.200 -91.000 HIS 70 0.900 -18.026 -13.516 14.385 -99.200 -91.000 TYR 74 0.840 -26.786 -3.578 16.513 -99.200 -91.000 HIS 89 0.900 -8.187 8.827 31.289 -99.200 -91.000 PHE 93 1.000 -14.721 0.982 20.764 -99.200 -91.000 HIS 94 0.900 -9.008 4.897 14.285 -99.200 -91.000 PHE 118 1.000 -18.600 0.261 17.890 -99.200 -91.000 PHE 126 1.000 -12.480 -1.432 11.470 -99.200 -91.000 TYR 128 0.840 -9.595 -0.425 22.308 -99.200 -91.000 HIS 129 0.900 -7.521 7.347 19.128 -99.200 -91.000 TRP 138 1.040 -0.015 13.777 28.382 -99.200 -91.000 TRP6 138 1.020 -1.430 14.500 30.121 -99.200 -91.000 HIS 139 0.900 -5.745 11.485 28.191 -99.200 -91.000 TYR 166 0.840 -7.897 -16.672 13.593 -99.200 -91.000 TYR 170 0.840 0.635 -15.608 20.194 -99.200 -91.000 TYR 171 0.840 -3.692 -5.692 19.987 -99.200 -91.000 PHE 177 1.000 5.292 4.228 26.262 -99.200 -91.000 TYR 178 0.840 6.479 10.654 20.720 -99.200 -91.000 TYR 187 0.840 14.665 8.911 28.849 -99.200 -91.000 TYR 190 0.840 8.077 16.283 33.919 -99.200 -91.000 TYR 197 0.840 -0.912 18.962 28.095 -99.200 -91.000 HIS 211 0.900 11.932 4.904 26.346 -99.200 -91.000 PHE 214 1.000 6.903 -5.098 18.446 -99.200 -91.000 HIS 225 0.900 5.757 -13.201 30.552 -99.200 -91.000 HIS 239 0.900 2.869 -4.711 14.620 -99.200 -91.000 HIS 249 0.900 11.346 -9.240 7.774 -99.200 -91.000 HIS 254 0.900 8.947 -15.444 3.537 -99.200 -91.000 TYR 257 0.840 -2.914 -16.700 2.284 -99.200 -91.000 TRP 259 1.040 -6.860 -9.122 4.555 -99.200 -91.000 TRP6 259 1.020 -6.436 -11.262 5.483 -99.200 -91.000 PHE 264 1.000 -9.982 -9.194 8.654 -99.200 -91.000 TRP 275 1.040 2.797 -6.300 7.264 -99.200 -91.000 TRP6 275 1.020 4.013 -8.351 7.457 -99.200 -91.000 PHE 286 1.000 -3.788 -17.935 7.839 -99.200 -91.000 TYR 287 0.840 5.351 -17.903 8.109 -99.200 -91.000 PHE 289 1.000 5.600 -19.386 12.966 -99.200 -91.000 TYR 295 0.840 10.610 -18.527 12.866 -99.200 -91.000 TYR 297 0.840 5.601 -9.366 14.420 -99.200 -91.000 HIS 300 0.900 14.110 -5.162 8.296 -99.200 -91.000 PHE 306 1.000 17.012 -6.502 16.385 -99.200 -91.000 HIS 313 0.900 13.511 -12.775 21.180 -99.200 -91.000 PHE 314 1.000 5.521 -15.685 16.588 -99.200 -91.000 TRP 320 1.040 16.725 -27.559 9.759 -99.200 -91.000 TRP6 320 1.020 16.450 -25.224 10.091 -99.200 -91.000