============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 1 1.040 19.523 38.006 17.667 -99.200 -91.000 TRP6 1 1.020 18.123 39.033 19.263 -99.200 -91.000 TYR 11 0.840 0.339 30.520 36.672 -99.200 -91.000 PHE 18 1.000 -0.345 41.556 43.729 -99.200 -91.000 PHE 27 1.000 0.954 35.535 25.861 -99.200 -91.000 TYR 29 0.840 0.469 43.583 17.833 -99.200 -91.000 HIS 37 0.900 -0.629 43.782 35.768 -99.200 -91.000 PHE 38 1.000 -5.415 44.045 26.158 -99.200 -91.000 PHE 50 1.000 7.355 58.846 32.344 -99.200 -91.000 PHE 57 1.000 4.754 50.616 25.051 -99.200 -91.000 TRP 85 1.040 0.640 32.576 46.566 -99.200 -91.000 TRP6 85 1.020 1.980 31.303 48.042 -99.200 -91.000 PHE 108 1.000 4.730 31.217 24.846 -99.200 -91.000 TYR 133 0.840 -1.884 32.332 49.978 -99.200 -91.000 TYR 134 0.840 4.256 30.149 53.347 -99.200 -91.000 PHE 144 1.000 8.561 39.145 46.698 -99.200 -91.000 HIS 147 0.900 16.341 36.717 51.924 -99.200 -91.000 TYR 165 0.840 -3.298 26.487 22.976 -99.200 -91.000 HIS 173 0.900 14.938 32.967 18.515 -99.200 -91.000 TYR 175 0.840 20.910 42.257 22.223 -99.200 -91.000