============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 98 rings ring int. center anis. iso. TYR 22 0.840 -22.158 -43.459 6.086 -99.200 -91.000 HIS 33 0.900 -11.268 -27.890 0.245 -99.200 -91.000 TYR 61 0.840 -26.572 -40.631 -10.104 -99.200 -91.000 HIS 68 0.900 -25.536 -23.369 -16.196 -99.200 -91.000 TYR 72 0.840 -25.999 -27.782 -5.695 -99.200 -91.000 TYR 73 0.840 -29.352 -35.101 -9.681 -99.200 -91.000 TYR 92 0.840 -17.487 -26.163 0.701 -99.200 -91.000 TYR 93 0.840 -20.394 -23.148 -3.784 -99.200 -91.000 PHE 98 1.000 -27.075 -34.472 2.752 -99.200 -91.000 TYR 115 0.840 -27.884 -22.824 -13.199 -99.200 -91.000 TYR 120 0.840 -15.026 -14.436 -10.750 -99.200 -91.000 PHE 127 1.000 -14.180 -2.080 6.711 -99.200 -91.000 TYR 128 0.840 -11.299 5.407 2.989 -99.200 -91.000 TRP 132 1.040 -14.567 -6.698 9.018 -99.200 -91.000 TRP6 132 1.020 -15.462 -7.970 7.231 -99.200 -91.000 HIS 134 0.900 -6.109 -14.445 11.855 -99.200 -91.000 PHE 143 1.000 -22.902 -15.545 7.363 -99.200 -91.000 TYR 144 0.840 -17.175 -13.926 3.380 -99.200 -91.000 TYR 152 0.840 -11.723 -11.325 2.937 -99.200 -91.000 TYR 154 0.840 -6.257 -7.855 3.843 -99.200 -91.000 TYR 161 0.840 3.110 -3.656 6.791 -99.200 -91.000 HIS 162 0.900 -5.348 -2.528 0.225 -99.200 -91.000 TRP 167 1.040 2.139 1.297 -2.341 -99.200 -91.000 TRP6 167 1.020 3.404 0.536 -4.214 -99.200 -91.000 TYR 171 0.840 0.313 -7.594 4.705 -99.200 -91.000 PHE 193 1.000 -6.854 -13.331 1.579 -99.200 -91.000 TRP 195 1.040 -3.036 -8.599 0.092 -99.200 -91.000 TRP6 195 1.020 -1.451 -7.173 -0.989 -99.200 -91.000 HIS 198 0.900 -5.958 2.726 -2.146 -99.200 -91.000 TRP 205 1.040 2.092 6.436 -13.567 -99.200 -91.000 TRP6 205 1.020 0.984 4.435 -12.980 -99.200 -91.000 PHE 217 1.000 -0.321 -7.905 -6.977 -99.200 -91.000 TYR 221 0.840 2.161 -18.129 -6.588 -99.200 -91.000 PHE 228 1.000 -1.815 -12.281 -6.400 -99.200 -91.000 PHE 231 1.000 -9.534 -2.983 -4.422 -99.200 -91.000 PHE 232 1.000 -4.502 1.818 -10.201 -99.200 -91.000 TYR 251 0.840 5.787 -5.711 -16.059 -99.200 -91.000 PHE 256 1.000 2.124 -12.735 -9.451 -99.200 -91.000 TYR 273 0.840 -15.142 5.013 -6.679 -99.200 -91.000 TRP 277 1.040 -17.191 10.571 -7.467 -99.200 -91.000 TRP6 277 1.020 -15.393 9.999 -6.032 -99.200 -91.000 TYR 284 0.840 -10.192 6.373 -15.359 -99.200 -91.000 TRP 300 1.040 -20.216 1.289 -12.633 -99.200 -91.000 TRP6 300 1.020 -18.934 3.144 -13.375 -99.200 -91.000 TRP 316 1.040 -23.384 5.873 -19.032 -99.200 -91.000 TRP6 316 1.020 -21.325 6.113 -17.884 -99.200 -91.000 TYR 326 0.840 -15.470 -8.732 -9.434 -99.200 -91.000 TRP 328 1.040 -16.702 -1.553 -3.647 -99.200 -91.000 TRP6 328 1.020 -14.362 -1.361 -3.416 -99.200 -91.000 TRP 329 1.040 -25.197 -2.432 -3.477 -99.200 -91.000 TRP6 329 1.020 -26.374 -3.557 -1.747 -99.200 -91.000 PHE 331 1.000 -27.188 -1.709 3.076 -99.200 -91.000 TYR 336 0.840 -21.529 6.735 3.463 -99.200 -91.000 HIS 340 0.900 -26.965 7.256 11.540 -99.200 -91.000 TYR 347 0.