============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 -10.652 28.609 13.300 -99.200 -91.000 PHE 34 1.000 3.417 16.446 27.308 -99.200 -91.000 TYR 43 0.840 -7.031 21.042 23.793 -99.200 -91.000 TYR 45 0.840 -5.414 18.609 12.538 -99.200 -91.000 PHE 48 1.000 -9.993 21.406 12.033 -99.200 -91.000 PHE 50 1.000 -17.504 16.187 19.519 -99.200 -91.000 TYR 59 0.840 -20.179 16.251 26.943 -99.200 -91.000 TYR 60 0.840 -18.264 20.941 17.374 -99.200 -91.000 HIS 73 0.900 -3.764 30.237 25.824 -99.200 -91.000 PHE 106 1.000 23.979 37.918 20.423 -99.200 -91.000 HIS 115 0.900 15.425 31.066 19.491 -99.200 -91.000 PHE 116 1.000 20.141 35.108 18.258 -99.200 -91.000 HIS 132 0.900 12.656 22.441 13.337 -99.200 -91.000 TRP 133 1.040 3.944 20.735 17.758 -99.200 -91.000 TRP6 133 1.020 2.374 20.054 16.138 -99.200 -91.000 TYR 137 0.840 5.680 16.585 19.758 -99.200 -91.000 PHE 139 1.000 -5.354 9.795 21.903 -99.200 -91.000 HIS 150 0.900 -4.190 13.756 24.487 -99.200 -91.000 PHE 152 1.000 -7.721 16.104 34.677 -99.200 -91.000 PHE 153 1.000 -0.339 13.222 30.346 -99.200 -91.000 HIS 161 0.900 6.863 19.701 29.946 -99.200 -91.000 TYR 166 0.840 7.285 31.847 37.746 -99.200 -91.000 TYR 180 0.840 -3.993 35.438 30.582 -99.200 -91.000 HIS 188 0.900 -7.692 26.212 28.219 -99.200 -91.000 TYR 192 0.840 -10.251 19.956 27.622 -99.200 -91.000 TYR 224 0.840 -2.105 37.734 34.781 -99.200 -91.000 PHE 229 1.000 -8.021 38.205 34.041 -99.200 -91.000 HIS 230 0.900 -9.988 32.223 40.063 -99.200 -91.000 TYR 234 0.840 -11.986 35.450 28.936 -99.200 -91.000 PHE 236 1.000 -10.956 33.423 23.304 -99.200 -91.000 TYR 241 0.840 -17.973 26.952 18.461 -99.200 -91.000 TRP 248 1.040 -16.331 27.731 32.909 -99.200 -91.000 TRP6 248 1.020 -14.553 26.577 33.925 -99.200 -91.000 PHE 272 1.000 8.177 42.439 21.054 -99.200 -91.000 HIS 276 0.900 17.071 47.941 11.064 -99.200 -91.000 PHE 281 1.000 21.849 40.405 6.967 -99.200 -91.000 PHE 285 1.000 23.056 46.118 6.148 -99.200 -91.000 HIS 286 0.900 21.930 49.943 5.635 -99.200 -91.000 TYR 291 0.840 10.871 50.945 8.091 -99.200 -91.000 TYR 298 0.840 -0.921 53.278 4.623 -99.200 -91.000