============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 20 0.840 42.287 30.082 11.422 -99.200 -91.000 TYR 21 0.840 41.852 36.569 10.336 -99.200 -91.000 HIS 31 0.900 46.502 39.738 -6.310 -99.200 -91.000 PHE 40 1.000 49.496 40.143 3.213 -99.200 -91.000 TRP 47 1.040 38.045 41.626 1.903 -99.200 -91.000 TRP6 47 1.020 36.014 40.578 2.493 -99.200 -91.000 PHE 50 1.000 33.509 43.021 7.844 -99.200 -91.000 TYR 67 0.840 30.227 39.938 3.641 -99.200 -91.000 PHE 71 1.000 34.392 40.659 -2.334 -99.200 -91.000 HIS 76 0.900 25.763 35.075 -8.492 -99.200 -91.000 PHE 108 1.000 19.587 47.429 42.563 -99.200 -91.000 TYR 113 0.840 28.933 46.456 47.831 -99.200 -91.000 HIS 116 0.900 20.627 52.952 49.891 -99.200 -91.000 PHE 127 1.000 25.764 56.552 68.358 -99.200 -91.000