============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 3 1.000 -16.560 -25.121 46.721 -99.200 -91.000 PHE 10 1.000 -6.259 -18.827 51.262 -99.200 -91.000 PHE 27 1.000 -10.251 -18.187 43.646 -99.200 -91.000 PHE 35 1.000 -4.793 -24.319 48.139 -99.200 -91.000 TYR 44 0.840 -10.817 -32.902 36.125 -99.200 -91.000 TYR 51 0.840 -14.418 -26.019 39.585 -99.200 -91.000 TYR 54 0.840 -15.010 -20.434 29.492 -99.200 -91.000 TRP 58 1.040 -4.782 -15.835 36.581 -99.200 -91.000 TRP6 58 1.020 -6.565 -14.377 37.104 -99.200 -91.000 HIS 63 0.900 -2.275 -24.610 21.257 -99.200 -91.000 HIS 65 0.900 -5.262 -26.521 32.750 -99.200 -91.000 PHE 84 1.000 21.929 -28.415 28.168 -99.200 -91.000 TYR 126 0.840 17.348 3.696 19.393 -99.200 -91.000 PHE 135 1.000 -2.033 5.260 27.164 -99.200 -91.000 TYR 139 0.840 0.472 -6.126 36.497 -99.200 -91.000 HIS 140 0.900 1.890 -1.580 30.636 -99.200 -91.000 HIS 142 0.900 7.209 -7.739 40.284 -99.200 -91.000 TYR 170 0.840 -6.393 1.334 26.435 -99.200 -91.000 TYR 178 0.840 -1.558 19.828 28.712 -99.200 -91.000 PHE 180 1.000 4.841 12.085 23.414 -99.200 -91.000 PHE 183 1.000 5.303 17.206 31.656 -99.200 -91.000 PHE 207 1.000 -5.260 4.902 22.979 -99.200 -91.000 PHE 224 1.000 1.211 -1.509 19.608 -99.200 -91.000 PHE 230 1.000 3.313 -14.976 20.084 -99.200 -91.000 TYR 234 0.840 -0.505 -16.877 12.078 -99.200 -91.000 TYR 240 0.840 -8.195 -7.754 15.552 -99.200 -91.000 TYR 241 0.840 -6.897 -3.317 17.249 -99.200 -91.000 TYR 263 0.840 14.400 -7.146 26.024 -99.200 -91.000 TYR 279 0.840 24.412 -7.135 32.326 -99.200 -91.000 TYR 294 0.840 9.099 -24.888 16.882 -99.200 -91.000 TYR 305 0.840 -4.880 -16.651 16.557 -99.200 -91.000 PHE 308 1.000 -8.182 -18.978 20.024 -99.200 -91.000 HIS 325 0.900 -32.779 -14.441 34.405 -99.200 -91.000 HIS 329 0.900 -26.554 -6.570 29.353 -99.200 -91.000 HIS 330 0.900 -20.315 -1.929 26.950 -99.200 -91.000 PHE 340 1.000 -15.564 -4.400 31.629 -99.200 -91.000 PHE 341 1.000 -22.040 -9.310 36.079 -99.200 -91.000 TYR 349 0.840 -9.186 1.332 36.961 -99.200 -91.000 PHE 359 1.000 -26.650 -6.752 40.672 -99.200 -91.000 PHE 360 1.000 -16.675 -11.028 38.633 -99.200 -91.000 TYR 363 0.840 -21.728 -14.376 35.962 -99.200 -91.000 TYR 364 0.840 -15.371 -16.609 40.461 -99.200 -91.000 PHE 372 1.000 -10.465 -21.207 38.157 -99.200 -91.000 PHE 378 1.000 -12.406 -3.899 37.987 -99.200 -91.000 PHE 382 1.000 -7.260 -14.646 30.073 -99.200 -91.000 HIS 387 0.900 -12.120 -23.194 26.665 -99.200 -91.000