============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -15.026 6.726 19.069 -99.200 -91.000 PHE 8 1.000 -9.210 -5.581 16.538 -99.200 -91.000 TRP 31 1.040 5.637 -22.211 19.127 -99.200 -91.000 TRP6 31 1.020 4.926 -23.433 21.060 -99.200 -91.000 TYR 37 0.840 7.647 -16.086 12.497 -99.200 -91.000 HIS 41 0.900 17.152 -6.145 19.463 -99.200 -91.000 TYR 54 0.840 22.040 -7.664 13.528 -99.200 -91.000 HIS 64 0.900 24.151 -26.694 19.983 -99.200 -91.000 PHE 66 1.000 19.479 -18.452 18.153 -99.200 -91.000 HIS 80 0.900 20.311 -21.348 13.473 -99.200 -91.000 TYR 101 0.840 -0.135 -17.663 11.327 -99.200 -91.000 PHE 103 1.000 3.637 -13.643 9.800 -99.200 -91.000 PHE 112 1.000 0.315 -1.207 15.325 -99.200 -91.000 TYR 118 0.840 7.720 -5.503 29.649 -99.200 -91.000 TYR 126 0.840 0.516 -0.097 24.121 -99.200 -91.000 HIS 134 0.900 7.054 5.400 7.494 -99.200 -91.000 PHE 140 1.000 6.462 -1.007 22.797 -99.200 -91.000 PHE 150 1.000 -3.157 -8.201 18.914 -99.200 -91.000 TYR 154 0.840 -15.283 -11.744 9.528 -99.200 -91.000 PHE 159 1.000 0.264 -12.422 15.107 -99.200 -91.000 TYR 161 0.840 5.766 -2.221 16.198 -99.200 -91.000 HIS 163 0.900 9.451 -1.894 20.698 -99.200 -91.000 HIS 164 0.900 13.050 -5.663 15.325 -99.200 -91.000 HIS 172 0.900 8.110 3.088 22.212 -99.200 -91.000 PHE 181 1.000 13.849 -1.813 12.227 -99.200 -91.000 TYR 182 0.840 5.525 -1.413 9.764 -99.200 -91.000 PHE 185 1.000 12.809 5.293 12.305 -99.200 -91.000 TRP 207 1.040 -12.334 11.736 17.743 -99.200 -91.000 TRP6 207 1.020 -11.965 14.036 18.067 -99.200 -91.000 TYR 209 0.840 -18.207 12.282 8.514 -99.200 -91.000 TRP 218 1.040 -19.290 21.142 19.803 -99.200 -91.000 TRP6 218 1.020 -17.602 22.724 19.262 -99.200 -91.000 PHE 219 1.000 -18.197 18.569 15.513 -99.200 -91.000 PHE 223 1.000 -19.361 29.631 5.969 -99.200 -91.000 PHE 230 1.000 -8.779 19.934 4.938 -99.200 -91.000 TYR 237 0.840 -4.001 26.061 11.406 -99.200 -91.000 TYR 239 0.840 -4.884 18.498 11.228 -99.200 -91.000 HIS 246 0.900 -6.292 10.352 2.583 -99.200 -91.000 PHE 291 1.000 -10.468 6.779 18.507 -99.200 -91.000 PHE 294 1.000 -13.636 -2.168 9.908 -99.200 -91.000 PHE 305 1.000 -29.379 10.749 20.601 -99.200 -91.000