============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 3 1.000 -82.068 23.742 26.575 -99.200 -91.000 TYR 4 0.840 -86.670 17.206 30.897 -99.200 -91.000 PHE 13 1.000 -84.722 17.701 25.639 -99.200 -91.000 PHE 20 1.000 -80.792 12.379 14.734 -99.200 -91.000 TYR 21 0.840 -81.819 7.525 15.732 -99.200 -91.000 TYR 34 0.840 -77.633 6.396 13.664 -99.200 -91.000 PHE 49 1.000 -75.555 12.500 26.243 -99.200 -91.000 TYR 53 0.840 -75.188 18.414 27.631 -99.200 -91.000 TRP 54 1.040 -79.737 19.798 26.324 -99.200 -91.000 TRP6 54 1.020 -78.446 21.792 26.332 -99.200 -91.000 TYR 60 0.840 -76.923 7.602 28.263 -99.200 -91.000 HIS 66 0.900 -68.712 8.943 32.721 -99.200 -91.000 HIS 73 0.900 -71.150 8.573 19.318 -99.200 -91.000 PHE 76 1.000 -71.396 2.389 15.606 -99.200 -91.000 PHE 86 1.000 -76.052 13.902 15.443 -99.200 -91.000 HIS 91 0.900 -78.651 22.785 12.331 -99.200 -91.000 HIS 106 0.900 -84.239 28.380 26.894 -99.200 -91.000 TYR 113 0.840 -74.540 19.309 23.646 -99.200 -91.000 HIS 119 0.900 -67.785 20.668 13.410 -99.200 -91.000 PHE 126 1.000 -61.276 5.466 5.435 -99.200 -91.000