============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 15 1.040 21.478 17.145 15.922 -99.200 -91.000 TRP6 15 1.020 20.239 16.655 17.860 -99.200 -91.000 PHE 46 1.000 12.331 4.285 13.332 -99.200 -91.000 PHE 50 1.000 10.169 -0.163 10.568 -99.200 -91.000 TYR 56 0.840 13.799 -0.978 7.864 -99.200 -91.000 TYR 74 0.840 8.353 0.827 16.307 -99.200 -91.000 HIS 92 0.900 27.340 11.614 23.265 -99.200 -91.000 PHE 101 1.000 22.852 13.539 23.087 -99.200 -91.000 HIS 125 0.900 18.890 5.490 29.078 -99.200 -91.000 PHE 162 1.000 3.104 22.052 16.972 -99.200 -91.000 TYR 171 0.840 12.969 26.299 28.064 -99.200 -91.000 TYR 174 0.840 17.253 20.202 31.989 -99.200 -91.000 HIS 190 0.900 29.106 13.282 30.620 -99.200 -91.000 PHE 197 1.000 8.200 26.813 19.460 -99.200 -91.000 PHE 198 1.000 7.083 19.319 15.394 -99.200 -91.000 TYR 227 0.840 18.241 31.966 20.892 -99.200 -91.000 TRP 230 1.040 17.392 28.332 25.579 -99.200 -91.000 TRP6 230 1.020 19.519 29.280 25.251 -99.200 -91.000 TYR 233 0.840 13.824 28.545 33.087 -99.200 -91.000 PHE 234 1.000 17.265 26.882 30.007 -99.200 -91.000 PHE 239 1.000 19.786 25.915 33.917 -99.200 -91.000 TRP 254 1.040 15.354 26.753 15.611 -99.200 -91.000 TRP6 254 1.020 13.898 27.625 17.244 -99.200 -91.000 TYR 264 0.840 5.626 31.014 2.342 -99.200 -91.000 TYR 269 0.840 9.612 27.483 7.479 -99.200 -91.000 HIS 277 0.900 25.301 28.254 23.525 -99.200 -91.000 PHE 290 1.000 21.829 25.917 5.457 -99.200 -91.000 HIS 293 0.900 18.941 26.585 -3.055 -99.200 -91.000 PHE 336 1.000 4.804 12.372 15.148 -99.200 -91.000 PHE 340 1.000 3.684 2.388 16.802 -99.200 -91.000