============================================================================= 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. PHE 40 1.000 18.660 2.463 27.243 -99.200 -91.000 HIS 51 0.900 24.773 -11.947 3.898 -99.200 -91.000 PHE 61 1.000 7.285 -21.737 -3.870 -99.200 -91.000 PHE 76 1.000 10.843 -28.016 -3.847 -99.200 -91.000 PHE 85 1.000 10.982 -12.697 8.444 -99.200 -91.000 PHE 88 1.000 14.647 -9.420 -0.316 -99.200 -91.000 HIS 93 0.900 31.174 -2.072 4.952 -99.200 -91.000 HIS 96 0.900 20.835 1.765 12.611 -99.200 -91.000 HIS 105 0.900 23.395 -5.607 -1.891 -99.200 -91.000 PHE 107 1.000 15.303 -13.362 -2.894 -99.200 -91.000 PHE 111 1.000 10.768 -21.670 0.290 -99.200 -91.000 TYR 112 0.840 7.775 -19.412 8.835 -99.200 -91.000 TRP 118 1.040 14.729 -25.947 2.131 -99.200 -91.000 TRP6 118 1.020 14.029 -25.291 -0.037 -99.200 -91.000 PHE 125 1.000 27.321 -10.106 -6.620 -99.200 -91.000 PHE 128 1.000 30.636 -16.509 -0.994 -99.200 -91.000 PHE 129 1.000 33.114 -12.397 -3.569 -99.200 -91.000 PHE 136 1.000 31.961 -16.843 5.108 -99.200 -91.000 HIS 141 0.900 38.845 -12.747 10.359 -99.200 -91.000 PHE 143 1.000 35.245 -9.704 -0.038 -99.200 -91.000 PHE 158 1.000 41.168 -6.084 -4.931 -99.200 -91.000 PHE 160 1.000 41.479 -14.591 1.127 -99.200 -91.000 PHE 161 1.000 38.858 -12.155 -2.634 -99.200 -91.000 HIS 163 0.900 48.303 -14.973 -1.346 -99.200 -91.000 TYR 175 0.840 35.739 -4.416 -6.875 -99.200 -91.000 TYR 184 0.840 17.659 -5.518 -0.081 -99.200 -91.000 PHE 186 1.000 12.859 -2.324 -8.784 -99.200 -91.000 HIS 193 0.900 26.681 -23.532 -1.828 -99.200 -91.000 TYR 195 0.840 20.834 -26.120 -1.347 -99.200 -91.000 HIS 205 0.900 16.711 -36.371 -10.672 -99.200 -91.000 TYR 206 0.840 24.497 -34.184 -6.958 -99.200 -91.000 PHE 209 1.000 16.264 -25.252 -5.150 -99.200 -91.000 HIS 210 0.900 17.330 -17.260 -12.040 -99.200 -91.000 TRP 211 1.040 14.312 -17.087 -4.635 -99.200 -91.000 TRP6 211 1.020 12.125 -17.944 -4.407 -99.200 -91.000 TYR 233 0.840 20.902 5.998 7.467 -99.200 -91.000 HIS 235 0.900 19.879 2.278 -2.086 -99.200 -91.000 PHE 249 1.000 0.999 -6.379 -1.644 -99.200 -91.000 TRP 252 1.040 12.449 -11.972 -6.667 -99.200 -91.000 TRP6 252 1.020 11.412 -10.663 -4.990 -99.200 -91.000 TYR 255 0.840 12.224 -19.679 -14.338 -99.200 -91.000 PHE 267 1.000 28.182 -30.533 -17.184 -99.200 -91.000 PHE 269 1.000 31.215 -26.215 -15.451 -99.200 -91.000 TRP 278 1.040 25.626 -26.423 -12.670 -99.200 -91.000 TRP6 278 1.020 23.840 -27.720 -11.841 -99.200 -91.000 PHE 298 1.000 15.116 -4.374 11.582 -99.200 -91.000 PHE 299 1.000 15.735 -7.777 19.625 -99.200 -91.000 PHE 329 1.000 29.922 -26.110 13.193 -99.200 -91.000 TYR 331 0.840 24.566 -19.782 7.032 -99.200 -91.000 TYR 337 0.840 28.170 -15.303 20.594 -99.200 -91.000 HIS 368 0.900 2.891 -27.273 31.221 -99.200 -91.000 TYR 375 0.840 14.242 -42.158 28.933 -99.200 -91.000 TYR 391 0.840 20.740 -37.770 7.424 -99.200 -91.000 PHE 411 1.000 42.519 -17.629 -14.386 -99.200 -91.000 TYR 418 0.840 35.578 -7.096 -20.041 -99.200 -91.000 TYR 421 0.840 29.272 -7.479 -16.960 -99.200 -91.000 PHE 433 1.000 38.614 -6.181 -10.020 -99.200 -91.000 TYR 451 0.840 44.954 -14.612 -10.087 -99.200 -91.000 TYR 453 0.840 46.503 -10.115 -20.867 -99.200 -91.000 TYR 459 0.840 37.548 -7.974 -16.059 -99.200 -91.000