============================================================================= 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 8 1.000 12.452 53.089 -0.092 -99.200 -91.000 TYR 9 0.840 8.797 50.526 -2.020 -99.200 -91.000 PHE 12 1.000 11.885 48.486 3.256 -99.200 -91.000 PHE 22 1.000 -2.956 35.245 3.942 -99.200 -91.000 PHE 25 1.000 -7.804 42.405 6.966 -99.200 -91.000 PHE 33 1.000 -4.165 52.760 1.390 -99.200 -91.000 PHE 35 1.000 0.512 42.819 5.065 -99.200 -91.000 TRP 70 1.040 1.451 42.062 -18.355 -99.200 -91.000 TRP6 70 1.020 1.144 39.744 -18.647 -99.200 -91.000 TYR 71 0.840 5.574 40.247 -11.555 -99.200 -91.000 PHE 81 1.000 -3.278 53.913 -4.700 -99.200 -91.000 TYR 93 0.840 -14.376 53.493 -5.443 -99.200 -91.000 PHE 95 1.000 -3.737 49.284 -2.077 -99.200 -91.000 HIS 106 0.900 0.860 41.252 -12.192 -99.200 -91.000 TYR 120 0.840 17.094 29.889 -21.928 -99.200 -91.000 PHE 124 1.000 18.484 32.292 -27.630 -99.200 -91.000 TYR 134 0.840 18.005 30.346 -6.147 -99.200 -91.000 PHE 135 1.000 12.894 33.831 -12.512 -99.200 -91.000 PHE 139 1.000 7.613 34.890 -12.126 -99.200 -91.000 TYR 140 0.840 6.078 29.433 -12.630 -99.200 -91.000 HIS 153 0.900 -7.804 45.316 -0.594 -99.200 -91.000 PHE 157 1.000 -11.325 44.558 2.732 -99.200 -91.000 HIS 159 0.900 -15.210 29.137 0.304 -99.200 -91.000 TYR 177 0.840 -11.576 9.123 -10.142 -99.200 -91.000 TYR 187 0.840 -3.532 11.292 -24.974 -99.200 -91.000 TYR 188 0.840 -3.715 7.681 -21.711 -99.200 -91.000 TYR 212 0.840 -4.367 23.992 1.948 -99.200 -91.000 HIS 216 0.900 -3.442 27.956 -2.660 -99.200 -91.000 TYR 218 0.840 -9.779 20.795 -9.085 -99.200 -91.000 HIS 219 0.900 -2.089 23.283 -9.684 -99.200 -91.000 PHE 222 1.000 -7.078 18.629 -13.304 -99.200 -91.000 PHE 225 1.000 -7.154 11.592 -8.023 -99.200 -91.000 HIS 235 0.900 3.787 -0.865 -16.423 -99.200 -91.000 HIS 236 0.900 -0.967 -2.180 -15.438 -99.200 -91.000 TYR 242 0.840 -6.145 0.153 -18.988 -99.200 -91.000 HIS 248 0.900 -5.210 5.703 4.459 -99.200 -91.000 PHE 276 1.000 8.221 17.022 -7.937 -99.200 -91.000 TYR 278 0.840 9.920 25.032 -12.404 -99.200 -91.000 TYR 280 0.840 13.543 15.125 -18.928 -99.200 -91.000 PHE 299 1.000 2.351 25.886 -21.659 -99.200 -91.000 TYR 301 0.840 7.157 24.870 -16.533 -99.200 -91.000 TYR 309 0.840 -1.045 26.497 -6.123 -99.200 -91.000 TYR 312 0.840 1.444 30.738 -0.198 -99.200 -91.000 PHE 313 1.000 -1.002 29.344 3.286 -99.200 -91.000 TYR 320 0.840 6.667 6.726 -1.216 -99.200 -91.000 TYR 325 0.840 3.625 -2.412 -7.227 -99.200 -91.000 TYR 332 0.840 4.293 14.269 3.695 -99.200 -91.000 TYR 347 0.840 18.160 40.660 -5.145 -99.200 -91.000 TRP 352 1.040 24.159 39.132 -7.363 -99.200 -91.000 TRP6 352 1.020 26.470 38.712 -7.087 -99.200 -91.000 HIS 354 0.900 21.375 29.456 -3.848 -99.200 -91.000 TYR 355 0.840 19.205 34.076 -9.560 -99.200 -91.000 TRP 362 1.040 29.825 13.706 0.256 -99.200 -91.000 TRP6 362 1.020 29.861 11.578 1.302 -99.200 -91.000