============================================================================= 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 4 1.000 54.155 -5.697 43.348 -99.200 -91.000 PHE 11 1.000 47.362 -6.999 42.787 -99.200 -91.000 PHE 17 1.000 52.304 -14.712 28.112 -99.200 -91.000 TYR 29 0.840 48.334 14.716 10.033 -99.200 -91.000 HIS 46 0.900 43.801 27.175 4.586 -99.200 -91.000 TYR 56 0.840 57.913 22.634 -7.083 -99.200 -91.000 TYR 70 0.840 74.331 8.122 -8.759 -99.200 -91.000 PHE 80 1.000 79.631 8.157 0.658 -99.200 -91.000 TYR 81 0.840 75.564 13.475 -3.693 -99.200 -91.000 TYR 85 0.840 67.856 11.062 -6.697 -99.200 -91.000 HIS 91 0.900 65.857 15.569 3.142 -99.200 -91.000 PHE 105 1.000 72.958 17.324 17.947 -99.200 -91.000 TYR 108 0.840 76.159 8.697 5.775 -99.200 -91.000 TYR 116 0.840 62.595 26.140 4.875 -99.200 -91.000 TYR 119 0.840 76.032 24.616 3.999 -99.200 -91.000 PHE 124 1.000 73.944 21.965 0.532 -99.200 -91.000 TYR 129 0.840 84.167 18.609 -6.562 -99.200 -91.000 HIS 144 0.900 80.307 11.854 6.092 -99.200 -91.000 TYR 145 0.840 76.583 18.193 2.581 -99.200 -91.000 HIS 151 0.900 71.814 28.324 15.052 -99.200 -91.000 PHE 152 1.000 72.587 19.679 8.982 -99.200 -91.000 TYR 171 0.840 69.389 18.373 31.860 -99.200 -91.000 TYR 185 0.840 65.706 15.917 10.566 -99.200 -91.000 PHE 186 1.000 65.804 8.367 14.979 -99.200 -91.000 HIS 197 0.900 66.748 0.757 25.481 -99.200 -91.000 PHE 200 1.000 63.786 6.672 20.225 -99.200 -91.000 PHE 202 1.000 70.766 8.552 29.358 -99.200 -91.000 PHE 212 1.000 64.455 11.285 20.692 -99.200 -91.000 PHE 213 1.000 60.965 13.970 10.464 -99.200 -91.000 TYR 219 0.840 64.203 -2.015 0.536 -99.200 -91.000 TYR 229 0.840 60.656 -2.200 11.736 -99.200 -91.000 TYR 241 0.840 62.384 3.711 24.570 -99.200 -91.000 PHE 254 1.000 50.920 21.802 2.031 -99.200 -91.000 TYR 257 0.840 54.467 23.969 8.616 -99.200 -91.000 PHE 274 1.000 55.481 16.213 21.843 -99.200 -91.000 TYR 281 0.840 60.760 2.325 -2.183 -99.200 -91.000 HIS 285 0.900 71.249 2.761 -7.479 -99.200 -91.000 HIS 286 0.900 73.137 3.171 2.248 -99.200 -91.000 TYR 295 0.840 69.432 -3.529 -1.954 -99.200 -91.000 TYR 299 0.840 53.097 2.788 -5.699 -99.200 -91.000 TRP 300 1.040 57.233 3.263 -3.177 -99.200 -91.000 TRP6 300 1.020 55.788 4.326 -1.626 -99.200 -91.000 HIS 305 0.900 59.659 12.594 -5.808 -99.200 -91.000 HIS 312 0.900 50.114 16.374 -9.578 -99.200 -91.000 TYR 313 0.840 48.396 23.274 -1.906 -99.200 -91.000 TRP 319 1.040 49.231 29.993 -4.893 -99.200 -91.000 TRP6 319 1.020 49.496 29.232 -2.649 -99.200 -91.000 TRP 320 1.040 55.703 25.502 -10.575 -99.200 -91.000 TRP6 320 1.020 57.285 27.204 -10.014 -99.200 -91.000 TRP 328 1.040 62.922 25.867 -9.484 -99.200 -91.000 TRP6 328 1.020 64.448 27.343 -8.478 -99.200 -91.000 PHE 340 1.000 80.471 19.420 -11.023 -99.200 -91.000 PHE 355 1.000 100.580 16.579 10.735 -99.200 -91.000 TYR 359 0.840 94.645 15.959 21.886 -99.200 -91.000 HIS 376 0.900 108.550 11.873 3.228 -99.200 -91.000 TYR 380 0.840 112.283 11.143 0.391 -99.200 -91.000 HIS 383 0.900 109.035 10.377 -5.625 -99.200 -91.000 TYR 384 0.840 104.539 12.308 -0.805 -99.200 -91.000 HIS 388 0.900 96.426 17.677 -8.110 -99.200 -91.000 PHE 389 1.000 96.238 18.172 -1.460 -99.200 -91.000