============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 26 1.040 -8.162 15.352 55.767 -99.200 -91.000 TRP6 26 1.020 -5.827 14.963 55.745 -99.200 -91.000 PHE 27 1.000 -8.037 18.033 48.607 -99.200 -91.000 PHE 29 1.000 -0.051 20.963 51.304 -99.200 -91.000 TYR 35 0.840 -10.288 24.285 46.054 -99.200 -91.000 HIS 43 0.900 -17.414 11.146 37.679 -99.200 -91.000 HIS 46 0.900 -9.249 13.314 32.061 -99.200 -91.000 HIS 57 0.900 -7.866 16.949 34.185 -99.200 -91.000 PHE 58 1.000 -10.783 15.895 41.945 -99.200 -91.000 TYR 65 0.840 1.292 20.378 39.395 -99.200 -91.000 HIS 67 0.900 7.016 16.845 39.779 -99.200 -91.000 TYR 71 0.840 12.393 12.691 50.041 -99.200 -91.000 TRP 74 1.040 -0.794 10.002 43.784 -99.200 -91.000 TRP6 74 1.020 -2.773 10.864 44.753 -99.200 -91.000 TYR 103 0.840 0.461 7.589 52.903 -99.200 -91.000 HIS 119 0.900 1.544 24.586 37.780 -99.200 -91.000 PHE 121 1.000 6.018 19.895 35.590 -99.200 -91.000 PHE 148 1.000 1.570 25.117 22.395 -99.200 -91.000 PHE 153 1.000 1.858 22.681 11.537 -99.200 -91.000 PHE 162 1.000 1.324 20.708 19.633 -99.200 -91.000 TYR 169 0.840 11.140 8.039 16.568 -99.200 -91.000 TRP 176 1.040 5.332 11.173 2.911 -99.200 -91.000 TRP6 176 1.020 4.038 9.193 3.015 -99.200 -91.000 HIS 184 0.900 1.623 24.824 5.200 -99.200 -91.000 HIS 199 0.900 -8.527 12.165 13.886 -99.200 -91.000 PHE 207 1.000 1.722 1.269 12.422 -99.200 -91.000 TYR 209 0.840 5.497 2.461 23.669 -99.200 -91.000 HIS 220 0.900 14.015 -12.848 12.920 -99.200 -91.000 HIS 221 0.900 8.705 -9.604 11.388 -99.200 -91.000 PHE 225 1.000 6.291 3.705 11.913 -99.200 -91.000 PHE 227 1.000 11.071 5.364 11.047 -99.200 -91.000 PHE 230 1.000 14.527 8.969 11.323 -99.200 -91.000 HIS 231 0.900 17.931 7.862 9.785 -99.200 -91.000 PHE 251 1.000 10.657 18.671 7.722 -99.200 -91.000 TYR 252 0.840 15.987 12.380 7.403 -99.200 -91.000 TRP 253 1.040 10.697 18.284 1.995 -99.200 -91.000 TRP6 253 1.020 12.985 18.831 2.291 -99.200 -91.000 HIS 259 0.900 1.383 21.642 -1.401 -99.200 -91.000