============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 4 0.900 -10.048 48.626 18.672 -99.200 -91.000 TYR 6 0.840 -6.744 49.720 26.982 -99.200 -91.000 TYR 9 0.840 5.079 48.753 28.284 -99.200 -91.000 PHE 24 1.000 4.478 58.176 24.576 -99.200 -91.000 PHE 33 1.000 2.820 42.009 17.263 -99.200 -91.000 HIS 34 0.900 0.015 46.582 12.787 -99.200 -91.000 PHE 40 1.000 -1.665 46.598 17.785 -99.200 -91.000 HIS 43 0.900 -2.593 54.793 28.483 -99.200 -91.000 TYR 45 0.840 -1.406 51.295 32.974 -99.200 -91.000 TRP 57 1.040 -2.489 44.566 42.678 -99.200 -91.000 TRP6 57 1.020 -2.797 43.468 44.739 -99.200 -91.000 TYR 68 0.840 -16.642 45.372 30.522 -99.200 -91.000 TYR 71 0.840 -10.363 49.332 23.415 -99.200 -91.000 PHE 74 1.000 -10.957 44.983 28.069 -99.200 -91.000 HIS 78 0.900 2.292 42.909 36.218 -99.200 -91.000 TYR 84 0.840 2.324 37.837 45.082 -99.200 -91.000 PHE 91 1.000 -10.292 36.187 44.466 -99.200 -91.000 PHE 92 1.000 -11.142 43.420 36.215 -99.200 -91.000 HIS 124 0.900 -5.319 33.114 17.205 -99.200 -91.000 TYR 129 0.840 -9.384 29.482 19.890 -99.200 -91.000 PHE 137 1.000 -0.289 32.673 25.907 -99.200 -91.000 PHE 138 1.000 6.044 34.032 30.839 -99.200 -91.000 HIS 151 0.900 11.447 26.020 36.906 -99.200 -91.000 PHE 155 1.000 12.302 28.246 28.838 -99.200 -91.000 PHE 158 1.000 4.532 33.815 35.686 -99.200 -91.000 PHE 189 1.000 -16.084 45.064 34.467 -99.200 -91.000 TYR 204 0.840 10.529 27.910 62.250 -99.200 -91.000 HIS 209 0.900 4.716 30.941 73.417 -99.200 -91.000 PHE 227 1.000 5.244 21.368 59.231 -99.200 -91.000 TYR 267 0.840 -13.170 10.249 59.803 -99.200 -91.000 TYR 282 0.840 -11.842 24.403 51.394 -99.200 -91.000 HIS 293 0.900 -4.076 42.600 50.038 -99.200 -91.000 TYR 294 0.840 -13.862 40.725 46.479 -99.200 -91.000 TYR 302 0.840 -13.663 36.814 62.696 -99.200 -91.000