============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 1 1.000 36.873 22.414 37.536 -99.200 -91.000 TYR 38 0.840 39.755 15.427 39.350 -99.200 -91.000 PHE 39 1.000 39.222 18.967 33.393 -99.200 -91.000 TYR 45 0.840 45.052 18.421 26.492 -99.200 -91.000 TRP 46 1.040 51.258 16.865 32.136 -99.200 -91.000 TRP6 46 1.020 53.564 16.351 32.296 -99.200 -91.000 TRP 56 1.040 49.742 11.827 31.191 -99.200 -91.000 TRP6 56 1.020 50.088 9.617 30.411 -99.200 -91.000 TYR 73 0.840 45.868 20.856 23.737 -99.200 -91.000 TYR 77 0.840 48.557 23.094 20.287 -99.200 -91.000 HIS 80 0.900 49.358 28.687 15.230 -99.200 -91.000 TYR 81 0.840 46.297 24.633 14.748 -99.200 -91.000 PHE 90 1.000 38.144 28.105 25.078 -99.200 -91.000 HIS 94 0.900 40.116 17.954 27.238 -99.200 -91.000 HIS 102 0.900 38.775 25.938 12.933 -99.200 -91.000 TYR 109 0.840 34.179 16.160 24.582 -99.200 -91.000 TRP 110 1.040 28.924 22.096 21.120 -99.200 -91.000 TRP6 110 1.020 29.183 23.206 23.195 -99.200 -91.000