============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 8 1.000 10.225 -19.722 18.608 -99.200 -91.000 PHE 23 1.000 19.856 -9.989 26.389 -99.200 -91.000 PHE 29 1.000 15.189 -9.780 27.423 -99.200 -91.000 TYR 30 0.840 17.173 -3.343 31.274 -99.200 -91.000 TYR 67 0.840 -1.418 14.675 28.221 -99.200 -91.000 PHE 84 1.000 19.773 7.337 23.627 -99.200 -91.000 PHE 101 1.000 10.329 9.544 32.043 -99.200 -91.000 PHE 122 1.000 21.991 4.505 19.984 -99.200 -91.000 TYR 124 0.840 28.533 -1.589 14.174 -99.200 -91.000 TRP 129 1.040 20.256 5.724 11.440 -99.200 -91.000 TRP6 129 1.020 20.110 7.335 9.710 -99.200 -91.000 TYR 142 0.840 -1.931 6.372 19.953 -99.200 -91.000 PHE 150 1.000 -0.986 9.703 10.842 -99.200 -91.000 TYR 154 0.840 10.975 12.282 13.769 -99.200 -91.000 PHE 156 1.000 19.109 12.347 20.110 -99.200 -91.000 PHE 169 1.000 8.515 5.026 4.988 -99.200 -91.000 PHE 171 1.000 2.216 1.157 13.266 -99.200 -91.000 HIS 179 0.900 26.356 -0.707 11.140 -99.200 -91.000 TYR 186 0.840 26.415 -1.280 2.973 -99.200 -91.000 TRP 199 1.040 9.082 1.047 2.084 -99.200 -91.000 TRP6 199 1.020 8.845 1.978 -0.078 -99.200 -91.000 TYR 201 0.840 14.890 5.532 3.287 -99.200 -91.000 TRP 215 1.040 16.964 -4.659 1.042 -99.200 -91.000 TRP6 215 1.020 16.697 -6.246 2.776 -99.200 -91.000 HIS 217 0.900 8.304 -7.023 -2.663 -99.200 -91.000 HIS 222 0.900 0.139 -11.951 7.717 -99.200 -91.000 PHE 231 1.000 20.799 -6.005 8.849 -99.200 -91.000 TRP 242 1.040 1.620 -8.566 15.624 -99.200 -91.000 TRP6 242 1.020 -0.704 -8.444 15.195 -99.200 -91.000 HIS 246 0.900 5.750 -19.273 9.176 -99.200 -91.000 PHE 250 1.000 13.004 -10.325 4.074 -99.200 -91.000 PHE 265 1.000 5.645 -16.881 19.413 -99.200 -91.000 HIS 272 0.900 18.521 -6.732 21.348 -99.200 -91.000 PHE 273 1.000 20.580 -12.747 16.611 -99.200 -91.000 PHE 281 1.000 16.517 -13.973 25.598 -99.200 -91.000 HIS 285 0.900 2.385 -7.582 20.295 -99.200 -91.000 TRP 291 1.040 7.254 -17.453 23.592 -99.200 -91.000 TRP6 291 1.020 6.663 -19.683 24.114 -99.200 -91.000 PHE 293 1.000 14.388 -18.109 17.233 -99.200 -91.000 TRP 295 1.040 20.031 -16.866 13.001 -99.200 -91.000 TRP6 295 1.020 18.611 -17.921 11.421 -99.200 -91.000 TYR 303 0.840 26.689 3.299 19.527 -99.200 -91.000 PHE 309 1.000 37.804 6.489 24.818 -99.200 -91.000 PHE 312 1.000 44.011 -4.392 14.945 -99.200 -91.000