============================================================================= 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. PHE 4 1.000 15.015 55.898 9.646 -99.200 -91.000 TYR 5 0.840 8.732 53.629 15.758 -99.200 -91.000 PHE 14 1.000 15.173 45.429 15.956 -99.200 -91.000 TYR 20 0.840 9.197 48.638 8.039 -99.200 -91.000 TYR 33 0.840 -0.304 46.371 9.736 -99.200 -91.000 PHE 50 1.000 30.393 48.819 9.694 -99.200 -91.000 HIS 55 0.900 30.668 38.823 13.123 -99.200 -91.000 TYR 60 0.840 29.309 43.030 -0.964 -99.200 -91.000 HIS 70 0.900 12.885 28.275 -6.212 -99.200 -91.000 PHE 80 1.000 14.808 50.239 7.872 -99.200 -91.000 PHE 89 1.000 26.188 51.209 7.026 -99.200 -91.000 TYR 93 0.840 17.506 48.578 11.856 -99.200 -91.000 HIS 113 0.900 4.662 8.795 5.766 -99.200 -91.000 TYR 118 0.840 3.875 21.550 0.089 -99.200 -91.000 TYR 121 0.840 8.423 19.734 -5.120 -99.200 -91.000 HIS 129 0.900 16.807 29.808 -8.312 -99.200 -91.000 HIS 131 0.900 23.219 22.459 -4.712 -99.200 -91.000 HIS 137 0.900 23.036 27.080 3.283 -99.200 -91.000 PHE 157 1.000 21.027 33.766 -0.206 -99.200 -91.000 TYR 165 0.840 24.164 19.406 17.499 -99.200 -91.000 TYR 166 0.840 20.739 19.956 12.050 -99.200 -91.000 TYR 177 0.840 32.341 22.646 -0.789 -99.200 -91.000 TRP 184 1.040 25.173 14.719 6.509 -99.200 -91.000 TRP6 184 1.020 25.633 12.417 6.759 -99.200 -91.000 HIS 196 0.900 8.830 13.453 16.432 -99.200 -91.000 PHE 200 1.000 23.859 11.386 11.903 -99.200 -91.000 TYR 205 0.840 37.556 18.410 18.588 -99.200 -91.000 TRP 209 1.040 34.346 9.838 12.178 -99.200 -91.000 TRP6 209 1.020 33.558 9.700 9.952 -99.200 -91.000 PHE 223 1.000 34.673 9.165 3.721 -99.200 -91.000 TYR 234 0.840 39.739 10.338 15.074 -99.200 -91.000 TYR 241 0.840 32.132 2.386 16.399 -99.200 -91.000 PHE 246 1.000 19.670 4.261 6.402 -99.200 -91.000 PHE 250 1.000 16.013 7.204 10.376 -99.200 -91.000 PHE 255 1.000 8.789 5.804 9.252 -99.200 -91.000 HIS 261 0.900 -0.972 6.325 2.128 -99.200 -91.000 HIS 293 0.900 12.975 7.927 -2.940 -99.200 -91.000 TYR 295 0.840 8.426 10.425 1.869 -99.200 -91.000 TRP 299 1.040 4.649 16.805 -2.517 -99.200 -91.000 TRP6 299 1.020 2.516 17.650 -1.966 -99.200 -91.000 TYR 300 0.840 8.460 17.179 -12.571 -99.200 -91.000 HIS 311 0.900 37.291 44.531 -0.831 -99.200 -91.000 TRP 316 1.040 35.218 43.543 4.032 -99.200 -91.000 TRP6 316 1.020 34.040 42.490 2.284 -99.200 -91.000 TYR 321 0.840 26.131 54.610 3.201 -99.200 -91.000