============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 2 0.840 50.242 30.464 2.859 -99.200 -91.000 PHE 3 1.000 52.455 26.767 1.242 -99.200 -91.000 PHE 7 1.000 37.988 16.546 4.828 -99.200 -91.000 TYR 11 0.840 38.680 13.955 9.315 -99.200 -91.000 PHE 22 1.000 20.213 20.290 2.308 -99.200 -91.000 TYR 37 0.840 36.197 9.251 12.149 -99.200 -91.000 HIS 67 0.900 18.235 8.358 20.812 -99.200 -91.000 PHE 74 1.000 32.539 11.158 15.349 -99.200 -91.000 PHE 83 1.000 29.961 25.719 5.297 -99.200 -91.000 TYR 84 0.840 35.782 19.551 2.904 -99.200 -91.000 TYR 90 0.840 25.933 5.360 11.334 -99.200 -91.000 PHE 96 1.000 14.067 0.645 -0.891 -99.200 -91.000 PHE 105 1.000 11.354 -6.235 8.630 -99.200 -91.000 HIS 108 0.900 11.214 -10.398 18.928 -99.200 -91.000 PHE 118 1.000 7.231 4.404 17.228 -99.200 -91.000 TYR 123 0.840 18.496 13.247 22.213 -99.200 -91.000 HIS 125 0.900 9.307 15.029 16.879 -99.200 -91.000 HIS 127 0.900 17.566 17.273 22.821 -99.200 -91.000 HIS 131 0.900 14.335 12.986 8.845 -99.200 -91.000 PHE 155 1.000 18.572 14.583 12.232 -99.200 -91.000 PHE 161 1.000 24.604 23.975 4.164 -99.200 -91.000 TYR 170 0.840 4.972 4.504 -2.050 -99.200 -91.000 TYR 171 0.840 7.875 6.053 3.266 -99.200 -91.000 TYR 181 0.840 7.379 20.045 5.897 -99.200 -91.000 TRP 188 1.040 1.030 10.313 7.591 -99.200 -91.000 TRP6 188 1.020 -1.306 10.289 7.884 -99.200 -91.000 TYR 195 0.840 -0.785 -0.251 6.093 -99.200 -91.000 PHE 204 1.000 -2.459 6.899 3.515 -99.200 -91.000 TYR 205 0.840 1.653 -0.231 -3.947 -99.200 -91.000 TYR 210 0.840 -3.050 13.525 -10.410 -99.200 -91.000 TYR 221 0.840 -5.058 3.869 7.938 -99.200 -91.000 PHE 223 1.000 -5.098 -1.331 10.226 -99.200 -91.000 TRP 228 1.040 -2.860 -4.927 7.072 -99.200 -91.000 TRP6 228 1.020 -1.475 -4.062 8.764 -99.200 -91.000 PHE 245 1.000 -6.949 14.473 7.039 -99.200 -91.000 HIS 246 0.900 -9.140 16.164 11.852 -99.200 -91.000 HIS 259 0.900 0.279 1.054 21.309 -99.200 -91.000 TRP 261 1.040 2.674 -4.414 18.702 -99.200 -91.000 TRP6 261 1.020 4.309 -3.443 17.293 -99.200 -91.000 TYR 265 0.840 5.436 -8.495 20.144 -99.200 -91.000 PHE 288 1.000 34.236 9.335 34.357 -99.200 -91.000 TYR 301 0.840 36.723 17.331 22.865 -99.200 -91.000 PHE 319 1.000 22.883 3.947 26.768 -99.200 -91.000 TYR 339 0.840 25.552 -1.001 42.652 -99.200 -91.000 HIS 340 0.900 18.509 -2.269 44.705 -99.200 -91.000 PHE 342 1.000 27.072 -6.393 39.316 -99.200 -91.000 TYR 376 0.840 26.864 4.598 23.265 -99.200 -91.000 PHE 379 1.000 27.050 2.607 30.130 -99.200 -91.000 PHE 399 1.000 50.215 18.273 21.537 -99.200 -91.000 PHE 402 1.000 41.160 19.150 23.956 -99.200 -91.000 PHE 417 1.000 51.967 13.046 21.853 -99.200 -91.000 PHE 420 1.000 47.236 15.889 25.370 -99.200 -91.000