============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -6.530 7.167 0.377 -99.200 -91.000 TYR 31 0.840 -7.156 7.553 -8.714 -99.200 -91.000 TRP 32 1.040 -13.404 0.108 -10.045 -99.200 -91.000 TRP6 32 1.020 -13.093 -2.159 -10.752 -99.200 -91.000 TYR 33 0.840 -6.203 2.406 -12.874 -99.200 -91.000 HIS 39 0.900 -2.678 -1.019 -21.552 -99.200 -91.000 HIS 45 0.900 -16.298 1.592 -15.014 -99.200 -91.000 TYR 46 0.840 -11.885 9.372 -13.929 -99.200 -91.000 TYR 48 0.840 -13.307 14.502 -9.250 -99.200 -91.000 TYR 62 0.840 -16.298 -2.677 -18.516 -99.200 -91.000 PHE 72 1.000 -16.792 3.744 -8.281 -99.200 -91.000 TYR 87 0.840 -12.756 -7.437 -15.071 -99.200 -91.000 PHE 88 1.000 -6.802 -3.604 -9.988 -99.200 -91.000 PHE 100 1.000 -2.961 3.687 1.883 -99.200 -91.000 PHE 101 1.000 -3.925 -0.033 -6.983 -99.200 -91.000 TYR 114 0.840 -2.542 -21.117 -24.525 -99.200 -91.000 TRP 150 1.040 20.676 -17.562 -10.321 -99.200 -91.000 TRP6 150 1.020 22.587 -17.725 -11.758 -99.200 -91.000 TYR 161 0.840 10.353 9.181 -23.315 -99.200 -91.000 PHE 166 1.000 2.223 11.297 -21.205 -99.200 -91.000 TYR 168 0.840 3.974 12.922 -11.664 -99.200 -91.000 PHE 169 1.000 7.313 9.736 -17.795 -99.200 -91.000 TRP 171 1.040 10.309 4.287 -12.430 -99.200 -91.000 TRP6 171 1.020 10.898 2.101 -13.217 -99.200 -91.000 TYR 172 0.840 1.242 3.719 -8.715 -99.200 -91.000 PHE 175 1.000 4.991 -6.675 -4.463 -99.200 -91.000 PHE 198 1.000 14.566 4.020 -6.273 -99.200 -91.000 PHE 201 1.000 23.284 6.848 -13.799 -99.200 -91.000 PHE 202 1.000 17.563 11.976 -20.361 -99.200 -91.000 HIS 212 0.900 22.213 1.727 -12.782 -99.200 -91.000 TYR 224 0.840 10.455 -3.001 -9.105 -99.200 -91.000 PHE 225 1.000 2.174 -2.558 -13.559 -99.200 -91.000 PHE 232 1.000 -6.108 17.996 -10.717 -99.200 -91.000 PHE 237 1.000 -0.153 2.313 -14.456 -99.200 -91.000 TYR 248 0.840 20.892 -17.013 0.368 -99.200 -91.000