============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 9 1.000 -1.612 52.494 11.876 -99.200 -91.000 TRP 19 1.040 -2.918 37.924 25.284 -99.200 -91.000 TRP6 19 1.020 -0.830 37.695 26.374 -99.200 -91.000 PHE 25 1.000 4.248 37.901 26.629 -99.200 -91.000 TRP 30 1.040 2.118 38.978 10.776 -99.200 -91.000 TRP6 30 1.020 0.876 40.990 11.036 -99.200 -91.000 TYR 36 0.840 4.338 31.767 14.077 -99.200 -91.000 TYR 46 0.840 6.289 33.023 26.374 -99.200 -91.000 PHE 63 1.000 22.171 26.718 24.475 -99.200 -91.000 HIS 71 0.900 12.301 38.184 18.943 -99.200 -91.000 TYR 80 0.840 10.682 30.631 15.545 -99.200 -91.000 PHE 88 1.000 29.777 31.615 24.523 -99.200 -91.000 TYR 94 0.840 23.322 30.723 20.882 -99.200 -91.000 TYR 112 0.840 23.472 43.222 21.619 -99.200 -91.000 TRP 113 1.040 19.226 37.583 13.473 -99.200 -91.000 TRP6 113 1.020 17.120 38.423 12.780 -99.200 -91.000 HIS 114 0.900 18.624 44.718 15.954 -99.200 -91.000 TRP 116 1.040 17.327 34.752 7.590 -99.200 -91.000 TRP6 116 1.020 16.918 33.473 9.538 -99.200 -91.000 PHE 123 1.000 23.051 35.813 11.184 -99.200 -91.000 TYR 125 0.840 26.312 39.915 13.279 -99.200 -91.000 PHE 133 1.000 27.591 50.472 21.133 -99.200 -91.000 TYR 136 0.840 30.606 43.541 12.948 -99.200 -91.000 HIS 149 0.900 34.386 49.253 7.904 -99.200 -91.000 TYR 159 0.840 19.819 41.789 4.976 -99.200 -91.000 TRP 165 1.040 19.891 50.550 -0.893 -99.200 -91.000 TRP6 165 1.020 21.721 52.028 -0.621 -99.200 -91.000 TYR 167 0.840 16.435 51.703 4.243 -99.200 -91.000 PHE 168 1.000 23.636 52.063 9.257 -99.200 -91.000 TRP 178 1.040 23.194 57.889 9.039 -99.200 -91.000 TRP6 178 1.020 24.743 58.933 7.618 -99.200 -91.000 TYR 195 0.840 10.934 64.209 16.757 -99.200 -91.000 TRP 198 1.040 17.051 54.975 19.045 -99.200 -91.000 TRP6 198 1.020 18.711 53.382 19.599 -99.200 -91.000 PHE 199 1.000 13.922 50.608 18.725 -99.200 -91.000 HIS 201 0.900 12.165 46.790 12.440 -99.200 -91.000 PHE 211 1.000 11.359 56.794 11.355 -99.200 -91.000 TYR 214 0.840 13.362 56.095 22.264 -99.200 -91.000 PHE 219 1.000 23.553 57.930 25.952 -99.200 -91.000 HIS 221 0.900 17.998 50.526 22.746 -99.200 -91.000 PHE 241 1.000 0.827 53.730 16.155 -99.200 -91.000 PHE 244 1.000 4.507 54.934 29.143 -99.200 -91.000 TRP 254 1.040 7.268 46.498 7.902 -99.200 -91.000 TRP6 254 1.020 5.469 47.909 7.288 -99.200 -91.000 PHE 261 1.000 3.392 49.463 12.097 -99.200 -91.000 TYR 263 0.840 1.361 49.097 17.505 -99.200 -91.000 TYR 266 0.840 5.893 47.816 26.220 -99.200 -91.000 PHE 267 1.000 -1.878 49.625 28.319 -99.200 -91.000