============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TRP 22 1.040 -6.799 -12.778 -0.585 -99.200 -91.000 TRP6 22 1.020 -5.829 -10.670 -0.998 -99.200 -91.000 PHE 33 1.000 -13.946 -13.011 -15.812 -99.200 -91.000 TYR 40 0.840 -3.234 -19.005 0.963 -99.200 -91.000 TYR 41 0.840 4.574 -18.134 0.932 -99.200 -91.000 TYR 66 0.840 8.033 -17.957 -7.115 -99.200 -91.000 TYR 85 0.840 -8.093 -13.944 16.369 -99.200 -91.000 TRP 91 1.040 2.489 -13.656 17.063 -99.200 -91.000 TRP6 91 1.020 4.496 -14.763 17.545 -99.200 -91.000 PHE 107 1.000 6.565 5.582 -5.304 -99.200 -91.000 TRP 123 1.040 -6.260 18.475 -1.511 -99.200 -91.000 TRP6 123 1.020 -6.236 16.481 -0.210 -99.200 -91.000 HIS 132 0.900 13.394 5.535 3.829 -99.200 -91.000 TYR 134 0.840 15.819 -0.405 6.423 -99.200 -91.000 PHE 137 1.000 7.025 4.789 15.009 -99.200 -91.000 TYR 138 0.840 6.675 2.624 10.885 -99.200 -91.000 PHE 144 1.000 8.380 2.663 32.768 -99.200 -91.000 HIS 180 0.900 18.445 1.360 11.524 -99.200 -91.000 HIS 188 0.900 19.056 1.893 -2.716 -99.200 -91.000 PHE 189 1.000 11.993 8.635 0.920 -99.200 -91.000 PHE 194 1.000 14.856 13.359 -6.226 -99.200 -91.000 TYR 196 0.840 4.713 7.588 -8.590 -99.200 -91.000 TRP 205 1.040 5.411 19.956 -3.558 -99.200 -91.000 TRP6 205 1.020 3.642 20.992 -2.398 -99.200 -91.000 PHE 206 1.000 12.273 14.233 2.220 -99.200 -91.000 TYR 216 0.840 17.238 9.674 12.101 -99.200 -91.000 PHE 220 1.000 15.573 10.486 6.238 -99.200 -91.000 PHE 224 1.000 14.474 12.721 -0.713 -99.200 -91.000 PHE 228 1.000 16.168 17.904 -8.556 -99.200 -91.000 TYR 232 0.840 16.876 11.158 -10.536 -99.200 -91.000 PHE 236 1.000 12.395 15.985 -10.924 -99.200 -91.000 TYR 243 0.840 13.645 17.852 -3.877 -99.200 -91.000 PHE 244 1.000 8.193 23.554 -1.659 -99.200 -91.000 TYR 245 0.840 13.936 19.859 2.763 -99.200 -91.000 TRP 264 1.040 3.850 15.184 1.515 -99.200 -91.000 TRP6 264 1.020 1.909 15.318 2.823 -99.200 -91.000 TYR 269 0.840 4.626 9.213 13.007 -99.200 -91.000 PHE 282 1.000 -7.400 13.137 -3.345 -99.200 -91.000 TYR 296 0.840 18.289 -4.023 -2.342 -99.200 -91.000 TYR 298 0.840 13.479 -8.234 -4.139 -99.200 -91.000 PHE 299 1.000 7.987 -3.591 -9.034 -99.200 -91.000 TYR 301 0.840 1.670 -3.867 -7.327 -99.200 -91.000 HIS 305 0.900 -8.676 -1.866 3.629 -99.200 -91.000 HIS 311 0.900 -18.264 -3.543 8.279 -99.200 -91.000 TYR 312 0.840 -13.820 -12.767 11.010 -99.200 -91.000 TYR 313 0.840 -16.015 -10.764 16.708 -99.200 -91.000 HIS 315 0.900 -19.033 -13.320 6.121 -99.200 -91.000 TYR 330 0.840 -8.393 0.116 -8.504 -99.200 -91.000 TRP 332 1.040 -6.262 -10.238 -5.250 -99.200 -91.000 TRP6 332 1.020 -5.057 -12.238 -5.782 -99.200 -91.000 PHE 351 1.000 -9.714 -9.773 -15.938 -99.200 -91.000 TYR 367 0.840 -26.546 0.269 -9.795 -99.200 -91.000 PHE 389 1.000 -18.453 -2.421 -5.364 -99.200 -91.000