============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 1 1.000 20.228 0.849 8.182 -99.200 -91.000 TYR 3 0.840 16.310 -3.968 12.304 -99.200 -91.000 HIS 4 0.900 18.155 -11.782 9.661 -99.200 -91.000 TYR 16 0.840 16.245 -8.777 31.001 -99.200 -91.000 TRP 21 1.040 8.238 -0.002 26.803 -99.200 -91.000 TRP6 21 1.020 6.123 -0.159 25.759 -99.200 -91.000 HIS 47 0.900 6.861 -11.961 24.266 -99.200 -91.000 PHE 57 1.000 4.766 1.226 4.505 -99.200 -91.000 HIS 61 0.900 5.009 4.233 -1.787 -99.200 -91.000 TRP 62 1.040 2.793 6.111 7.950 -99.200 -91.000 TRP6 62 1.020 2.355 3.856 8.483 -99.200 -91.000 PHE 72 1.000 -9.827 2.405 0.862 -99.200 -91.000 PHE 85 1.000 -22.304 -2.565 -5.186 -99.200 -91.000 PHE 95 1.000 -20.703 -15.001 8.879 -99.200 -91.000 HIS 103 0.900 -28.531 -4.868 3.425 -99.200 -91.000 TYR 124 0.840 -3.616 0.877 2.598 -99.200 -91.000 PHE 145 1.000 -3.491 -7.629 17.099 -99.200 -91.000 HIS 156 0.900 9.133 -1.824 16.905 -99.200 -91.000 TYR 163 0.840 19.542 -1.479 23.510 -99.200 -91.000 PHE 166 1.000 26.647 -0.184 17.836 -99.200 -91.000 TRP 191 1.040 -22.780 7.229 26.318 -99.200 -91.000 TRP6 191 1.020 -22.553 9.280 27.493 -99.200 -91.000 TYR 194 0.840 -29.205 6.342 21.779 -99.200 -91.000 TYR 213 0.840 -5.573 -9.202 29.645 -99.200 -91.000 HIS 216 0.900 -11.285 -6.751 30.123 -99.200 -91.000 TYR 217 0.840 -5.151 1.306 27.237 -99.200 -91.000 HIS 226 0.900 -13.378 9.362 26.137 -99.200 -91.000 HIS 227 0.900 -15.449 11.263 33.722 -99.200 -91.000 TYR 261 0.840 -15.521 -1.518 20.167 -99.200 -91.000 PHE 262 1.000 -22.042 -5.781 16.452 -99.200 -91.000 TYR 266 0.840 -13.999 -11.433 13.675 -99.200 -91.000 TYR 271 0.840 -22.881 -14.567 13.993 -99.200 -91.000 TRP 277 1.040 -27.043 -16.898 12.749 -99.200 -91.000 TRP6 277 1.020 -25.887 -15.321 11.461 -99.200 -91.000 TYR 296 0.840 -20.536 1.696 8.014 -99.200 -91.000 HIS 297 0.900 -20.482 -8.671 9.364 -99.200 -91.000 PHE 317 1.000 -21.127 2.154 -4.930 -99.200 -91.000 HIS 323 0.900 -11.711 12.570 -1.951 -99.200 -91.000 PHE 331 1.000 -9.887 -0.008 -4.900 -99.200 -91.000 TRP 335 1.040 -8.848 -6.985 -15.148 -99.200 -91.000 TRP6 335 1.020 -6.659 -7.170 -14.274 -99.200 -91.000 PHE 353 1.000 -2.206 -11.175 -15.326 -99.200 -91.000 TYR 361 0.840 -0.638 -17.833 -5.920 -99.200 -91.000 TYR 374 0.840 -16.123 -19.380 -9.465 -99.200 -91.000 PHE 381 1.000 4.981 -10.676 -8.324 -99.200 -91.000 TRP 395 1.040 17.108 -13.637 20.842 -99.200 -91.000 TRP6 395 1.020 18.672 -13.523 19.039 -99.200 -91.000 HIS 399 0.900 16.466 -12.874 5.487 -99.200 -91.000 PHE 407 1.000 -6.433 0.102 13.999 -99.200 -91.000 TYR 410 0.840 -18.155 8.247 8.109 -99.200 -91.000 TYR 425 0.840 1.555 3.016 13.316 -99.200 -91.000 TYR 435 0.840 14.413 -16.798 3.587 -99.200 -91.000 PHE 443 1.000 -1.535 -11.541 14.343 -99.200 -91.000 TYR 450 0.840 14.006 4.312 10.995 -99.200 -91.000