============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 14 0.840 11.042 9.288 -0.049 -99.200 -91.000 PHE 31 1.000 5.586 14.994 14.980 -99.200 -91.000 PHE 32 1.000 11.409 9.113 12.025 -99.200 -91.000 TYR 35 0.840 8.873 9.905 21.014 -99.200 -91.000 TRP 48 1.040 7.118 -0.140 -5.056 -99.200 -91.000 TRP6 48 1.020 7.383 0.149 -2.723 -99.200 -91.000 TRP 69 1.040 9.554 -2.312 3.302 -99.200 -91.000 TRP6 69 1.020 11.172 -2.599 1.606 -99.200 -91.000 HIS 75 0.900 4.504 -10.378 5.505 -99.200 -91.000 TYR 91 0.840 11.639 -8.752 13.902 -99.200 -91.000 HIS 109 0.900 -10.291 1.021 -22.920 -99.200 -91.000 TYR 124 0.840 -14.580 -2.258 -24.419 -99.200 -91.000 PHE 128 1.000 -9.169 -2.804 -26.325 -99.200 -91.000 PHE 136 1.000 -8.675 -3.032 -20.644 -99.200 -91.000 HIS 140 0.900 1.979 -5.355 -11.414 -99.200 -91.000 PHE 142 1.000 8.395 -5.936 -6.600 -99.200 -91.000 PHE 149 1.000 -1.794 -9.409 -3.458 -99.200 -91.000 TRP 150 1.040 -4.612 -2.122 -3.632 -99.200 -91.000 TRP6 150 1.020 -5.321 -3.602 -1.921 -99.200 -91.000 TYR 153 0.840 -11.798 -8.184 -4.451 -99.200 -91.000 TRP 154 1.040 -11.808 -2.252 -11.215 -99.200 -91.000 TRP6 154 1.020 -10.737 -2.019 -13.311 -99.200 -91.000 PHE 155 1.000 -8.451 -5.663 -15.248 -99.200 -91.000 PHE 188 1.000 -1.831 4.463 -14.310 -99.200 -91.000 TRP 194 1.040 1.905 8.613 -10.490 -99.200 -91.000 TRP6 194 1.020 2.613 9.829 -12.391 -99.200 -91.000 TYR 196 0.840 -5.045 17.834 -9.657 -99.200 -91.000 TYR 205 0.840 -12.588 6.002 -17.278 -99.200 -91.000 TRP 214 1.040 -10.878 -4.149 2.483 -99.200 -91.000 TRP6 214 1.020 -8.949 -5.513 2.571 -99.200 -91.000 TYR 216 0.840 -12.834 3.785 6.439 -99.200 -91.000 HIS 217 0.900 -6.819 0.055 0.755 -99.200 -91.000 TYR 221 0.840 0.922 -2.990 6.812 -99.200 -91.000 TRP 228 1.040 19.077 -0.926 12.483 -99.200 -91.000 TRP6 228 1.020 17.535 0.241 13.850 -99.200 -91.000 TRP 249 1.040 1.528 17.983 13.144 -99.200 -91.000 TRP6 249 1.020 2.219 18.668 10.988 -99.200 -91.000 TYR 268 0.840 11.469 14.838 1.968 -99.200 -91.000 PHE 269 1.000 5.572 12.547 -2.049 -99.200 -91.000 PHE 280 1.000 -2.130 14.486 1.739 -99.200 -91.000 TYR 284 0.840 -9.019 11.073 -4.446 -99.200 -91.000 PHE 296 1.000 -9.908 14.153 6.593 -99.200 -91.000 TYR 302 0.840 -1.183 9.597 5.662 -99.200 -91.000 TRP 303 1.040 -3.892 8.175 15.553 -99.200 -91.000 TRP6 303 1.020 -2.132 6.720 16.171 -99.200 -91.000 TYR 312 0.840 -2.645 -3.744 16.390 -99.200 -91.000 TYR 314 0.840 -6.459 -3.967 13.368 -99.200 -91.000 HIS 317 0.900 -6.209 -5.170 8.133 -99.200 -91.000 TRP 320 1.040 -7.545 -9.999 1.620 -99.200 -91.000 TRP6 320 1.020 -6.381 -8.715 0.011 -99.200 -91.000 PHE 321 1.000 -1.857 -6.721 2.193 -99.200 -91.000 TRP 328 1.040 -4.941 -12.993 -7.585 -99.200 -91.000 TRP6 328 1.020 -6.655 -13.434 -9.161 -99.200 -91.000 PHE 330 1.000 0.285 -13.474 -7.381 -99.200 -91.000 HIS 331 0.900 5.048 -15.325 -3.988 -99.200 -91.000 TRP 354 1.040 1.443 0.422 16.184 -99.200 -91.000 TRP6 354 1.020 -0.415 0.986 17.531 -99.200 -91.000 PHE 363 1.000 0.714 8.406 21.200 -99.200 -91.000 PHE 378 1.000 -12.025 -7.513 -0.173 -99.200 -91.000 PHE 379 1.000 -15.952 -3.752 -6.126 -99.200 -91.000 PHE 384 1.000 -9.339 -12.485 5.146 -99.200 -91.000 TYR 392 0.840 -11.045 -13.647 0.353 -99.200 -91.000