============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 7 0.900 -4.727 15.618 -13.944 -99.200 -91.000 PHE 14 1.000 1.282 10.537 1.648 -99.200 -91.000 PHE 15 1.000 -5.874 9.625 3.455 -99.200 -91.000 TRP 16 1.040 -5.617 2.769 -0.638 -99.200 -91.000 TRP6 16 1.020 -7.119 4.597 -0.590 -99.200 -91.000 TYR 19 0.840 8.629 6.149 0.353 -99.200 -91.000 TYR 27 0.840 -3.793 2.633 -9.720 -99.200 -91.000 PHE 28 1.000 -2.636 10.593 -11.269 -99.200 -91.000 PHE 33 1.000 1.753 10.015 -16.330 -99.200 -91.000 TRP 44 1.040 2.181 17.851 -7.522 -99.200 -91.000 TRP6 44 1.020 0.331 17.468 -8.953 -99.200 -91.000 PHE 45 1.000 1.765 10.374 -4.927 -99.200 -91.000 PHE 48 1.000 0.762 14.691 -2.313 -99.200 -91.000 PHE 51 1.000 1.200 18.165 6.458 -99.200 -91.000 TYR 52 0.840 3.345 9.561 6.891 -99.200 -91.000 TYR 53 0.840 8.516 9.845 6.199 -99.200 -91.000 TYR 58 0.840 0.557 12.018 18.139 -99.200 -91.000 TYR 69 0.840 -4.922 8.478 12.654 -99.200 -91.000 HIS 75 0.900 -1.332 18.584 3.359 -99.200 -91.000 TYR 76 0.840 -1.357 13.764 3.118 -99.200 -91.000 HIS 81 0.900 -14.831 14.798 -2.027 -99.200 -91.000 PHE 88 1.000 -2.486 7.635 6.065 -99.200 -91.000 PHE 90 1.000 0.459 -2.452 10.705 -99.200 -91.000 PHE 99 1.000 9.873 9.721 12.286 -99.200 -91.000 PHE 100 1.000 7.557 6.664 22.519 -99.200 -91.000 TRP 113 1.040 17.419 11.282 12.984 -99.200 -91.000 TRP6 113 1.020 15.199 11.227 13.815 -99.200 -91.000 TYR 118 0.840 12.960 9.314 5.493 -99.200 -91.000 TYR 130 0.840 -11.951 3.875 -5.023 -99.200 -91.000 PHE 131 1.000 -7.913 6.794 -5.456 -99.200 -91.000