============================================================================= 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 17.791 20.638 13.375 -99.200 -91.000 PHE 21 1.000 29.786 25.587 13.914 -99.200 -91.000 PHE 31 1.000 22.009 18.684 14.685 -99.200 -91.000 HIS 36 0.900 15.317 29.551 18.664 -99.200 -91.000 PHE 54 1.000 16.652 19.577 19.549 -99.200 -91.000 PHE 59 1.000 14.452 30.068 23.930 -99.200 -91.000 TRP 66 1.040 24.554 17.618 23.648 -99.200 -91.000 TRP6 66 1.020 25.138 15.472 22.921 -99.200 -91.000 PHE 84 1.000 30.505 20.852 0.723 -99.200 -91.000 TYR 108 0.840 29.050 31.298 3.747 -99.200 -91.000 TYR 122 0.840 15.279 35.775 21.487 -99.200 -91.000 TRP 146 1.040 25.890 33.313 13.277 -99.200 -91.000 TRP6 146 1.020 26.017 35.619 12.721 -99.200 -91.000 PHE 180 1.000 28.031 35.030 16.856 -99.200 -91.000 TYR 190 0.840 24.880 21.081 26.734 -99.200 -91.000