============================================================================= 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. TYR 8 0.840 -5.788 14.250 21.892 -99.200 -91.000 TYR 10 0.840 -6.184 19.017 14.547 -99.200 -91.000 TYR 17 0.840 15.229 18.839 14.765 -99.200 -91.000 HIS 38 0.900 9.714 15.844 13.788 -99.200 -91.000 TYR 40 0.840 6.799 11.838 11.981 -99.200 -91.000 HIS 43 0.900 18.028 11.392 12.018 -99.200 -91.000 PHE 57 1.000 5.281 14.120 2.047 -99.200 -91.000 HIS 60 0.900 3.436 10.832 11.539 -99.200 -91.000 PHE 76 1.000 10.876 5.351 -5.972 -99.200 -91.000 TYR 81 0.840 19.564 12.298 -15.216 -99.200 -91.000 HIS 101 0.900 19.318 23.300 -15.624 -99.200 -91.000 PHE 103 1.000 10.408 16.178 -7.945 -99.200 -91.000 HIS 105 0.900 12.195 24.342 -9.044 -99.200 -91.000 HIS 107 0.900 12.328 29.526 -11.220 -99.200 -91.000 PHE 109 1.000 8.658 29.725 -3.784 -99.200 -91.000 TYR 114 0.840 25.012 21.615 -10.389 -99.200 -91.000 PHE 124 1.000 29.458 20.516 -8.537 -99.200 -91.000 PHE 130 1.000 16.483 28.006 5.190 -99.200 -91.000 PHE 135 1.000 12.133 31.148 3.821 -99.200 -91.000 HIS 147 0.900 -2.289 35.720 8.296 -99.200 -91.000 PHE 148 1.000 2.840 34.158 1.136 -99.200 -91.000 TYR 150 0.840 -4.622 31.254 -4.389 -99.200 -91.000 PHE 169 1.000 29.375 30.463 -16.648 -99.200 -91.000 TRP 172 1.040 22.108 26.527 -13.950 -99.200 -91.000 TRP6 172 1.020 22.673 24.243 -14.314 -99.200 -91.000 PHE 173 1.000 16.100 31.519 -14.877 -99.200 -91.000 PHE 186 1.000 3.594 19.775 -3.387 -99.200 -91.000 PHE 188 1.000 -0.958 30.302 -1.329 -99.200 -91.000 PHE 194 1.000 -4.743 25.001 10.341 -99.200 -91.000 TRP 209 1.040 1.585 28.671 11.545 -99.200 -91.000 TRP6 209 1.020 -0.592 28.040 10.890 -99.200 -91.000 TRP 210 1.040 7.092 29.474 3.263 -99.200 -91.000 TRP6 210 1.020 7.378 31.387 1.901 -99.200 -91.000 TYR 212 0.840 9.011 26.171 14.217 -99.200 -91.000 TRP 213 1.040 7.879 23.079 5.901 -99.200 -91.000 TRP6 213 1.020 6.512 23.660 4.054 -99.200 -91.000 PHE 214 1.000 10.202 26.598 2.526 -99.200 -91.000 PHE 219 1.000 6.321 18.383 10.293 -99.200 -91.000 TYR 221 0.840 2.471 19.714 15.589 -99.200 -91.000 HIS 222 0.900 7.065 24.372 20.069 -99.200 -91.000 TRP 225 1.040 1.002 23.595 10.399 -99.200 -91.000 TRP6 225 1.020 1.738 21.353 10.715 -99.200 -91.000 HIS 226 0.900 -4.796 21.818 13.025 -99.200 -91.000 PHE 236 1.000 -5.630 24.300 -0.795 -99.200 -91.000 PHE 272 1.000 15.643 13.521 -16.058 -99.200 -91.000 PHE 279 1.000 24.027 19.093 -15.479 -99.200 -91.000 TYR 287 0.840 19.652 24.607 7.654 -99.200 -91.000 TYR 288 0.840 23.253 20.777 12.710 -99.200 -91.000