============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 18 1.000 12.113 37.758 -10.933 -99.200 -91.000 PHE 22 1.000 13.366 40.261 -15.753 -99.200 -91.000 TYR 38 0.840 11.734 53.012 -7.964 -99.200 -91.000 PHE 52 1.000 24.079 42.197 -12.845 -99.200 -91.000 PHE 59 1.000 22.504 49.659 -11.112 -99.200 -91.000 PHE 60 1.000 15.910 56.386 -12.635 -99.200 -91.000 TYR 72 0.840 13.003 61.921 -12.766 -99.200 -91.000 HIS 82 0.900 5.847 45.838 -7.566 -99.200 -91.000 HIS 88 0.900 11.766 36.968 8.072 -99.200 -91.000 TYR 94 0.840 6.734 39.312 16.152 -99.200 -91.000 TYR 137 0.840 5.018 37.388 1.359 -99.200 -91.000 PHE 148 1.000 0.769 45.024 -9.942 -99.200 -91.000 PHE 154 1.000 -6.380 54.494 -17.471 -99.200 -91.000 PHE 162 1.000 -1.315 47.650 -15.326 -99.200 -91.000 TYR 167 0.840 8.269 32.425 -9.073 -99.200 -91.000 PHE 180 1.000 19.014 29.256 9.669 -99.200 -91.000 PHE 181 1.000 17.809 24.048 7.149 -99.200 -91.000 PHE 202 1.000 3.029 23.912 -4.967 -99.200 -91.000 TRP 203 1.040 11.177 23.267 -2.272 -99.200 -91.000 TRP6 203 1.020 12.302 25.077 -1.242 -99.200 -91.000 PHE 212 1.000 5.507 30.630 -15.524 -99.200 -91.000 HIS 221 0.900 -3.938 36.876 -24.907 -99.200 -91.000 PHE 226 1.000 0.653 34.455 -17.832 -99.200 -91.000 HIS 260 0.900 0.970 19.904 4.105 -99.200 -91.000 HIS 270 0.900 -14.853 29.545 -10.276 -99.200 -91.000 PHE 275 1.000 -2.740 27.663 -21.308 -99.200 -91.000 PHE 278 1.000 1.196 28.489 -19.590 -99.200 -91.000 PHE 279 1.000 -2.077 23.969 -13.761 -99.200 -91.000 PHE 287 1.000 -9.932 42.586 -16.945 -99.200 -91.000 TYR 293 0.840 -7.562 36.290 -19.852 -99.200 -91.000 HIS 299 0.900 -0.489 32.123 -32.648 -99.200 -91.000 PHE 309 1.000 -5.788 21.713 -10.641 -99.200 -91.000 TYR 311 0.840 0.034 22.968 -9.122 -99.200 -91.000 HIS 314 0.900 -2.324 17.847 0.142 -99.200 -91.000 TRP 319 1.040 5.833 14.740 -4.389 -99.200 -91.000 TRP6 319 1.020 5.525 15.739 -2.268 -99.200 -91.000