============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 5 0.840 -0.974 4.922 26.387 -99.200 -91.000 PHE 23 1.000 1.489 -16.725 3.528 -99.200 -91.000 TYR 33 0.840 -11.968 -15.677 14.937 -99.200 -91.000 TYR 43 0.840 4.987 -20.435 12.001 -99.200 -91.000 PHE 47 1.000 12.476 -19.617 5.414 -99.200 -91.000 PHE 49 1.000 14.788 -17.063 9.415 -99.200 -91.000 TRP 59 1.040 15.868 -6.156 -4.330 -99.200 -91.000 TRP6 59 1.020 15.057 -5.074 -6.271 -99.200 -91.000 PHE 86 1.000 4.313 -16.867 8.302 -99.200 -91.000 HIS 95 0.900 -11.125 -2.754 17.274 -99.200 -91.000 TRP 130 1.040 1.514 -7.777 24.993 -99.200 -91.000 TRP6 130 1.020 1.345 -9.771 26.261 -99.200 -91.000 HIS 133 0.900 8.760 -11.984 26.078 -99.200 -91.000 PHE 137 1.000 16.498 -13.025 11.348 -99.200 -91.000 PHE 151 1.000 15.785 -7.564 3.465 -99.200 -91.000 HIS 162 0.900 -7.798 3.296 19.575 -99.200 -91.000 HIS 163 0.900 -6.102 3.332 24.080 -99.200 -91.000 TYR 168 0.840 9.380 -7.936 28.643 -99.200 -91.000 TYR 170 0.840 17.894 -9.575 19.561 -99.200 -91.000 TYR 172 0.840 19.071 -10.308 15.013 -99.200 -91.000 TYR 174 0.840 13.736 -4.934 10.015 -99.200 -91.000 TYR 182 0.840 0.262 7.420 5.418 -99.200 -91.000 TYR 196 0.840 6.903 1.963 20.318 -99.200 -91.000 HIS 197 0.900 6.791 -2.923 28.677 -99.200 -91.000 HIS 198 0.900 10.985 -4.055 30.694 -99.200 -91.000 PHE 201 1.000 13.814 -0.973 19.861 -99.200 -91.000 PHE 213 1.000 0.296 13.812 12.752 -99.200 -91.000 HIS 217 0.900 5.701 5.020 29.862 -99.200 -91.000 TYR 219 0.840 7.931 1.107 30.697 -99.200 -91.000 TYR 222 0.840 21.444 -2.836 25.165 -99.200 -91.000 PHE 223 1.000 16.528 2.917 22.362 -99.200 -91.000 TYR 245 0.840 22.847 0.486 29.463 -99.200 -91.000 PHE 246 1.000 18.378 6.299 24.923 -99.200 -91.000 TYR 263 0.840 6.731 19.892 20.792 -99.200 -91.000 TRP 264 1.040 12.961 15.520 23.779 -99.200 -91.000 TRP6 264 1.020 13.229 15.731 21.443 -99.200 -91.000 TYR 270 0.840 23.924 3.683 32.254 -99.200 -91.000 TRP 277 1.040 24.028 14.099 20.487 -99.200 -91.000 TRP6 277 1.020 21.711 13.677 20.682 -99.200 -91.000 TYR 286 0.840 19.072 20.018 13.471 -99.200 -91.000 TRP 292 1.040 20.920 12.945 27.010 -99.200 -91.000 TRP6 292 1.020 19.715 11.099 26.150 -99.200 -91.000 PHE 298 1.000 2.276 10.952 28.119 -99.200 -91.000 TYR 304 0.840 0.547 2.667 30.849 -99.200 -91.000 TYR 306 0.840 5.130 3.412 34.155 -99.200 -91.000