============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 8 0.840 -44.030 -28.576 -20.387 -99.200 -91.000 TYR 23 0.840 -32.336 -36.590 -12.066 -99.200 -91.000 TYR 28 0.840 -35.208 -41.586 1.549 -99.200 -91.000 TYR 30 0.840 -26.221 -41.659 -5.612 -99.200 -91.000 PHE 35 1.000 -25.769 -39.420 7.209 -99.200 -91.000 TYR 36 0.840 -22.916 -49.906 4.477 -99.200 -91.000 PHE 37 1.000 -19.743 -47.410 1.716 -99.200 -91.000 HIS 49 0.900 -16.169 -37.199 3.562 -99.200 -91.000 PHE 50 1.000 -18.422 -41.276 -5.700 -99.200 -91.000 PHE 51 1.000 -21.637 -44.086 -2.905 -99.200 -91.000 PHE 78 1.000 -43.252 -31.895 -5.598 -99.200 -91.000 TRP 89 1.040 -26.696 -48.819 0.918 -99.200 -91.000 TRP6 89 1.020 -28.039 -49.075 -1.028 -99.200 -91.000 HIS 114 0.900 -33.145 -35.393 -26.768 -99.200 -91.000 HIS 124 0.900 -36.970 -24.368 -22.682 -99.200 -91.000 PHE 128 1.000 -34.379 -28.463 -17.951 -99.200 -91.000 HIS 132 0.900 -29.599 -26.825 -17.311 -99.200 -91.000 PHE 133 1.000 -31.553 -32.499 -15.382 -99.200 -91.000 HIS 147 0.900 -14.263 -43.031 -8.493 -99.200 -91.000 TYR 164 0.840 -6.261 -47.349 5.140 -99.200 -91.000 PHE 166 1.000 -11.615 -46.331 -5.136 -99.200 -91.000 HIS 173 0.900 -9.903 -38.768 1.969 -99.200 -91.000