============================================================================= 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 6 1.000 20.379 -20.589 0.246 -99.200 -91.000 HIS 8 0.900 13.192 -29.014 -0.221 -99.200 -91.000 PHE 26 1.000 14.570 -7.941 -5.334 -99.200 -91.000 PHE 30 1.000 21.367 -15.810 -7.971 -99.200 -91.000 HIS 36 0.900 14.565 -31.694 -20.895 -99.200 -91.000 HIS 56 0.900 17.562 -1.597 9.957 -99.200 -91.000 PHE 60 1.000 7.029 -16.142 7.509 -99.200 -91.000 PHE 87 1.000 -1.649 -9.842 -12.433 -99.200 -91.000 HIS 94 0.900 10.681 -24.640 -1.211 -99.200 -91.000 TYR 100 0.840 23.124 -15.643 -1.672 -99.200 -91.000 TRP 108 1.040 25.805 -10.725 -6.185 -99.200 -91.000 TRP6 108 1.020 27.591 -9.210 -6.029 -99.200 -91.000 HIS 110 0.900 29.624 -14.102 -16.203 -99.200 -91.000 TYR 111 0.840 23.613 -8.589 -12.798 -99.200 -91.000 PHE 124 1.000 26.190 -9.543 3.863 -99.200 -91.000 PHE 125 1.000 23.029 -12.655 3.711 -99.200 -91.000 PHE 131 1.000 19.491 -16.110 2.675 -99.200 -91.000 PHE 136 1.000 7.930 -15.161 -8.286 -99.200 -91.000 PHE 138 1.000 13.361 -16.268 -18.500 -99.200 -91.000 HIS 160 0.900 -6.509 -5.086 -25.644 -99.200 -91.000 PHE 175 1.000 -2.494 -6.520 -8.088 -99.200 -91.000 HIS 177 0.900 2.985 -4.127 -9.595 -99.200 -91.000 HIS 181 0.900 10.292 -0.912 -11.361 -99.200 -91.000 TRP 182 1.040 11.641 1.468 -17.422 -99.200 -91.000 TRP6 182 1.020 12.330 2.266 -19.541 -99.200 -91.000 HIS 196 0.900 -8.129 -17.278 -26.104 -99.200 -91.000 TYR 197 0.840 -9.599 -9.855 -21.392 -99.200 -91.000 TYR 218 0.840 2.952 -9.957 -8.071 -99.200 -91.000 PHE 231 1.000 -2.218 -2.168 4.289 -99.200 -91.000 PHE 240 1.000 5.275 8.040 -0.307 -99.200 -91.000 TYR 246 0.840 4.330 10.256 -15.003 -99.200 -91.000 PHE 248 1.000 12.314 7.448 -8.727 -99.200 -91.000 TYR 251 0.840 7.277 4.899 -6.301 -99.200 -91.000 TRP 261 1.040 0.038 4.340 1.679 -99.200 -91.000 TRP6 261 1.020 0.653 4.488 -0.595 -99.200 -91.000 TYR 264 0.840 -10.077 -1.609 -5.311 -99.200 -91.000 HIS 265 0.900 -8.119 5.432 -2.588 -99.200 -91.000 TYR 267 0.840 -6.512 8.182 -11.076 -99.200 -91.000 TRP 272 1.040 2.140 2.299 -10.475 -99.200 -91.000 TRP6 272 1.020 4.400 2.965 -10.657 -99.200 -91.000 HIS 274 0.900 -0.243 9.578 -17.878 -99.200 -91.000 TYR 275 0.840 6.636 4.284 -15.232 -99.200 -91.000 PHE 284 1.000 8.469 1.224 -30.152 -99.200 -91.000 PHE 302 1.000 -4.348 3.728 -22.990 -99.200 -91.000 HIS 303 0.900 1.079 10.523 -22.392 -99.200 -91.000 PHE 308 1.000 -11.274 6.159 -19.726 -99.200 -91.000 HIS 318 0.900 -8.866 5.162 -24.184 -99.200 -91.000 PHE 321 1.000 -7.044 -0.901 -24.051 -99.200 -91.000