============================================================================= 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 -5.773 14.229 22.070 -99.200 -91.000 TYR 10 0.840 -6.239 18.962 14.725 -99.200 -91.000 TYR 17 0.840 15.063 18.928 14.774 -99.200 -91.000 HIS 38 0.900 9.546 15.902 13.872 -99.200 -91.000 TYR 40 0.840 6.683 11.871 12.077 -99.200 -91.000 HIS 43 0.900 17.950 11.500 11.941 -99.200 -91.000 PHE 57 1.000 5.023 14.166 2.130 -99.200 -91.000 HIS 60 0.900 3.370 10.841 11.673 -99.200 -91.000 PHE 76 1.000 10.649 5.435 -5.922 -99.200 -91.000 TYR 81 0.840 19.190 12.417 -15.258 -99.200 -91.000 HIS 101 0.900 18.842 23.400 -15.704 -99.200 -91.000 PHE 103 1.000 9.984 16.368 -7.864 -99.200 -91.000 HIS 105 0.900 11.737 24.413 -9.113 -99.200 -91.000 HIS 107 0.900 11.832 29.582 -11.289 -99.200 -91.000 PHE 109 1.000 8.286 29.804 -3.781 -99.200 -91.000 TYR 114 0.840 24.575 21.819 -10.510 -99.200 -91.000 PHE 124 1.000 28.998 20.812 -8.691 -99.200 -91.000 PHE 130 1.000 16.272 28.155 5.188 -99.200 -91.000 PHE 135 1.000 11.780 31.216 3.776 -99.200 -91.000 HIS 147 0.900 -2.531 35.770 8.420 -99.200 -91.000 PHE 148 1.000 2.562 34.299 1.166 -99.200 -91.000 TYR 150 0.840 -4.904 31.319 -4.221 -99.200 -91.000 PHE 169 1.000 28.849 30.764 -16.712 -99.200 -91.000 TRP 172 1.040 21.654 26.645 -14.023 -99.200 -91.000 TRP6 172 1.020 22.179 24.378 -14.463 -99.200 -91.000 PHE 173 1.000 15.614 31.634 -14.985 -99.200 -91.000 PHE 186 1.000 3.369 19.809 -3.329 -99.200 -91.000 PHE 188 1.000 -1.258 30.342 -1.213 -99.200 -91.000 PHE 194 1.000 -4.900 25.096 10.663 -99.200 -91.000 TRP 209 1.040 1.368 28.759 11.675 -99.200 -91.000 TRP6 209 1.020 -0.822 28.117 11.037 -99.200 -91.000 TRP 210 1.040 6.772 29.549 3.297 -99.200 -91.000 TRP6 210 1.020 7.043 31.470 1.959 -99.200 -91.000 TYR 212 0.840 8.854 26.236 14.253 -99.200 -91.000 TRP 213 1.040 7.656 23.158 5.934 -99.200 -91.000 TRP6 213 1.020 6.275 23.702 4.089 -99.200 -91.000 PHE 214 1.000 9.912 26.697 2.555 -99.200 -91.000 PHE 219 1.000 6.232 18.421 10.392 -99.200 -91.000 TYR 221 0.840 2.320 19.740 15.730 -99.200 -91.000 HIS 222 0.900 6.942 24.442 20.139 -99.200 -91.000 TRP 225 1.040 0.900 23.597 10.509 -99.200 -91.000 TRP6 225 1.020 1.613 21.353 10.828 -99.200 -91.000 HIS 226 0.900 -4.917 21.838 13.192 -99.200 -91.000 PHE 236 1.000 -5.895 24.229 -0.631 -99.200 -91.000 PHE 272 1.000 15.367 13.561 -16.106 -99.200 -91.000 PHE 279 1.000 23.646 19.258 -15.592 -99.200 -91.000 TYR 287 0.840 19.358 24.762 7.590 -99.200 -91.000 TYR 288 0.840 22.950 20.862 12.636 -99.200 -91.000