============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 15.017 -0.816 27.520 -99.200 -91.000 PHE 6 1.000 21.427 -2.196 23.971 -99.200 -91.000 PHE 32 1.000 16.113 7.630 10.689 -99.200 -91.000 TYR 62 0.840 5.250 22.782 20.864 -99.200 -91.000 HIS 63 0.900 4.916 19.966 16.547 -99.200 -91.000 HIS 80 0.900 1.738 2.361 20.661 -99.200 -91.000 PHE 82 1.000 -5.723 10.107 16.881 -99.200 -91.000 TRP 85 1.040 4.377 2.111 15.052 -99.200 -91.000 TRP6 85 1.020 5.570 1.456 13.117 -99.200 -91.000 TYR 96 0.840 14.732 21.360 19.327 -99.200 -91.000 PHE 111 1.000 3.545 25.388 25.540 -99.200 -91.000 HIS 124 0.900 0.008 6.559 31.793 -99.200 -91.000 PHE 134 1.000 10.096 19.725 30.215 -99.200 -91.000 TYR 140 0.840 27.692 24.938 18.524 -99.200 -91.000 TRP 157 1.040 13.511 20.892 35.075 -99.200 -91.000 TRP6 157 1.020 13.294 22.152 33.101 -99.200 -91.000 PHE 165 1.000 8.775 5.391 33.299 -99.200 -91.000 PHE 178 1.000 16.067 4.956 25.944 -99.200 -91.000 PHE 186 1.000 31.605 24.385 26.689 -99.200 -91.000 PHE 202 1.000 17.072 8.700 33.802 -99.200 -91.000 TYR 205 0.840 21.881 6.073 31.037 -99.200 -91.000 PHE 220 1.000 31.123 12.273 12.899 -99.200 -91.000 PHE 225 1.000 34.237 15.553 24.797 -99.200 -91.000 HIS 236 0.900 25.782 3.969 24.748 -99.200 -91.000 TYR 237 0.840 16.978 9.108 20.787 -99.200 -91.000 PHE 258 1.000 22.416 6.998 14.843 -99.200 -91.000 PHE 273 1.000 19.035 11.766 2.265 -99.200 -91.000 TRP 275 1.040 23.076 2.592 -1.463 -99.200 -91.000 TRP6 275 1.020 23.469 2.599 0.863 -99.200 -91.000 PHE 286 1.000 18.307 13.735 -11.365 -99.200 -91.000 HIS 298 0.900 17.721 -4.776 -2.643 -99.200 -91.000 TRP 305 1.040 5.642 4.571 -10.015 -99.200 -91.000 TRP6 305 1.020 5.163 3.553 -7.943 -99.200 -91.000 TYR 309 0.840 4.750 8.934 -12.146 -99.200 -91.000 HIS 311 0.900 12.175 16.695 -13.453 -99.200 -91.000 HIS 312 0.900 4.293 15.048 -14.305 -99.200 -91.000 HIS 328 0.900 15.040 6.139 -2.545 -99.200 -91.000 PHE 332 1.000 20.450 5.744 1.101 -99.200 -91.000 TYR 333 0.840 18.212 8.679 6.667 -99.200 -91.000 PHE 349 1.000 30.298 0.627 11.439 -99.200 -91.000 PHE 352 1.000 28.255 0.221 5.385 -99.200 -91.000 PHE 356 1.000 27.541 6.124 3.625 -99.200 -91.000 TYR 360 0.840 25.911 10.084 1.217 -99.200 -91.000 PHE 361 1.000 31.103 12.191 2.647 -99.200 -91.000