============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 36 1.000 38.753 46.930 28.681 -99.200 -91.000 TRP 39 1.040 35.895 36.510 19.447 -99.200 -91.000 TRP6 39 1.020 37.066 35.699 17.561 -99.200 -91.000 TYR 53 0.840 30.467 41.952 27.724 -99.200 -91.000 PHE 66 1.000 26.951 33.713 17.087 -99.200 -91.000 PHE 75 1.000 42.223 36.586 23.601 -99.200 -91.000 TYR 90 0.840 31.311 34.985 12.395 -99.200 -91.000 TYR 91 0.840 35.916 42.242 10.055 -99.200 -91.000 TRP 93 1.040 38.269 47.034 18.036 -99.200 -91.000 TRP6 93 1.020 36.313 48.345 18.169 -99.200 -91.000 HIS 97 0.900 48.294 45.979 25.154 -99.200 -91.000 PHE 98 1.000 46.412 55.469 21.392 -99.200 -91.000 TYR 100 0.840 42.153 51.418 22.240 -99.200 -91.000 PHE 102 1.000 38.113 47.027 14.407 -99.200 -91.000 PHE 122 1.000 16.908 40.238 -19.342 -99.200 -91.000 PHE 139 1.000 20.197 40.564 -14.936 -99.200 -91.000 PHE 143 1.000 25.866 31.286 -9.715 -99.200 -91.000 TYR 144 0.840 26.951 26.149 -2.596 -99.200 -91.000 TRP 152 1.040 28.979 38.024 -22.569 -99.200 -91.000 TRP6 152 1.020 26.735 38.515 -23.144 -99.200 -91.000 TRP 167 1.040 30.844 36.841 -9.886 -99.200 -91.000 TRP6 167 1.020 32.493 38.398 -10.529 -99.200 -91.000 TYR 177 0.840 27.879 32.050 -3.350 -99.200 -91.000 TYR 190 0.840 23.051 45.228 -30.741 -99.200 -91.000 HIS 193 0.900 29.592 41.312 -35.726 -99.200 -91.000 TYR 196 0.840 25.017 40.718 -30.575 -99.200 -91.000 HIS 202 0.900 26.994 25.785 -11.084 -99.200 -91.000 PHE 213 1.000 20.000 39.371 -28.369 -99.200 -91.000