============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 5 0.840 37.873 46.142 21.395 -99.200 -91.000 TYR 12 0.840 41.957 58.614 23.478 -99.200 -91.000 PHE 26 1.000 25.989 68.338 30.488 -99.200 -91.000 TRP 41 1.040 19.218 54.579 17.558 -99.200 -91.000 TRP6 41 1.020 19.571 52.911 15.896 -99.200 -91.000 HIS 42 0.900 18.734 58.549 15.332 -99.200 -91.000 PHE 47 1.000 30.098 49.376 9.577 -99.200 -91.000 PHE 57 1.000 34.074 54.550 12.646 -99.200 -91.000 HIS 62 0.900 31.300 66.278 9.951 -99.200 -91.000 HIS 68 0.900 21.855 62.780 7.198 -99.200 -91.000 PHE 88 1.000 37.069 65.400 29.942 -99.200 -91.000 TYR 93 0.840 34.151 66.734 18.630 -99.200 -91.000 PHE 96 1.000 32.581 64.150 25.483 -99.200 -91.000 TYR 97 0.840 29.378 63.686 19.887 -99.200 -91.000 PHE 115 1.000 34.324 54.212 25.370 -99.200 -91.000 HIS 116 0.900 36.486 47.157 24.705 -99.200 -91.000 HIS 140 0.900 13.032 50.254 7.378 -99.200 -91.000 PHE 145 1.000 18.199 48.207 14.305 -99.200 -91.000 HIS 163 0.900 12.279 53.188 20.748 -99.200 -91.000 HIS 169 0.900 10.655 64.970 22.518 -99.200 -91.000 PHE 175 1.000 5.248 58.051 14.934 -99.200 -91.000 TRP 179 1.040 8.423 53.973 22.856 -99.200 -91.000 TRP6 179 1.020 9.742 55.856 22.302 -99.200 -91.000 PHE 186 1.000 18.232 50.571 29.486 -99.200 -91.000 TYR 190 0.840 10.204 48.746 23.643 -99.200 -91.000 PHE 191 1.000 11.947 44.632 25.454 -99.200 -91.000 PHE 217 1.000 12.442 41.118 14.784 -99.200 -91.000 TYR 224 0.840 15.322 40.646 25.364 -99.200 -91.000 PHE 231 1.000 16.134 45.396 27.963 -99.200 -91.000 PHE 232 1.000 18.872 46.169 33.190 -99.200 -91.000 TYR 235 0.840 20.648 48.438 25.777 -99.200 -91.000 HIS 239 0.900 24.891 51.310 24.173 -99.200 -91.000 PHE 247 1.000 37.034 51.197 17.971 -99.200 -91.000