============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 5 1.000 6.986 71.581 17.996 -99.200 -91.000 TYR 11 0.840 15.572 58.955 20.079 -99.200 -91.000 TYR 15 0.840 15.087 54.384 19.094 -99.200 -91.000 HIS 16 0.900 7.530 53.389 24.098 -99.200 -91.000 TYR 22 0.840 15.060 66.930 24.238 -99.200 -91.000 TRP 33 1.040 18.830 76.633 33.076 -99.200 -91.000 TRP6 33 1.020 16.774 75.758 33.805 -99.200 -91.000 PHE 54 1.000 1.661 70.396 30.908 -99.200 -91.000 TRP 69 1.040 -0.937 64.220 29.493 -99.200 -91.000 TRP6 69 1.020 -0.791 64.017 27.157 -99.200 -91.000 TYR 76 0.840 17.825 76.246 24.646 -99.200 -91.000 PHE 80 1.000 17.112 84.764 29.631 -99.200 -91.000 TYR 88 0.840 7.608 62.569 26.745 -99.200 -91.000 TRP 92 1.040 4.471 55.303 25.112 -99.200 -91.000 TRP6 92 1.020 6.342 56.628 25.507 -99.200 -91.000 TYR 95 0.840 -2.659 66.035 22.333 -99.200 -91.000 TYR 101 0.840 4.460 74.637 29.166 -99.200 -91.000 PHE 104 1.000 -0.935 72.078 25.851 -99.200 -91.000 PHE 139 1.000 17.506 39.006 12.817 -99.200 -91.000