============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 9 0.840 17.710 20.591 13.222 -99.200 -91.000 PHE 21 1.000 29.748 25.501 13.682 -99.200 -91.000 PHE 31 1.000 22.039 18.462 14.349 -99.200 -91.000 HIS 36 0.900 15.536 29.546 18.465 -99.200 -91.000 PHE 54 1.000 16.694 19.411 19.314 -99.200 -91.000 PHE 59 1.000 14.564 29.906 23.788 -99.200 -91.000 TRP 66 1.040 24.441 17.415 23.360 -99.200 -91.000 TRP6 66 1.020 25.149 15.275 22.642 -99.200 -91.000 PHE 84 1.000 30.322 20.817 0.618 -99.200 -91.000 TYR 108 0.840 29.093 31.291 3.845 -99.200 -91.000 TYR 122 0.840 15.481 35.440 21.354 -99.200 -91.000 TRP 146 1.040 25.829 33.221 13.165 -99.200 -91.000 TRP6 146 1.020 26.067 35.524 12.652 -99.200 -91.000 PHE 180 1.000 28.136 34.782 16.848 -99.200 -91.000 TYR 190 0.840 24.736 20.791 26.519 -99.200 -91.000