============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 17 0.840 24.550 16.054 31.306 -99.200 -91.000 PHE 30 1.000 15.547 19.995 30.992 -99.200 -91.000 HIS 49 0.900 23.439 21.745 21.632 -99.200 -91.000 TYR 53 0.840 29.270 12.260 19.099 -99.200 -91.000 TYR 64 0.840 3.308 23.423 35.978 -99.200 -91.000 HIS 108 0.900 -2.365 20.179 31.835 -99.200 -91.000 TYR 111 0.840 1.945 13.406 39.249 -99.200 -91.000 HIS 126 0.900 1.162 21.417 52.581 -99.200 -91.000 TYR 128 0.840 -0.112 11.021 51.907 -99.200 -91.000 PHE 141 1.000 18.162 13.254 46.153 -99.200 -91.000 PHE 150 1.000 27.877 6.994 57.388 -99.200 -91.000 TYR 152 0.840 35.100 12.249 49.863 -99.200 -91.000 PHE 158 1.000 36.629 2.290 58.084 -99.200 -91.000 HIS 173 0.900 18.821 16.216 52.686 -99.200 -91.000 PHE 181 1.000 28.431 6.292 62.609 -99.200 -91.000 PHE 193 1.000 32.126 2.972 62.368 -99.200 -91.000 TRP 221 1.040 29.275 18.747 39.978 -99.200 -91.000 TRP6 221 1.020 28.294 19.595 37.991 -99.200 -91.000 HIS 229 0.900 21.339 4.827 42.255 -99.200 -91.000 HIS 236 0.900 16.137 0.828 32.504 -99.200 -91.000 PHE 252 1.000 12.407 1.713 59.783 -99.200 -91.000 HIS 254 0.900 9.441 6.058 64.964 -99.200 -91.000 PHE 259 1.000 11.455 8.864 59.969 -99.200 -91.000 TRP 276 1.040 17.565 -1.701 56.297 -99.200 -91.000 TRP6 276 1.020 19.225 -0.118 55.751 -99.200 -91.000 TYR 281 0.840 24.213 6.752 68.134 -99.200 -91.000 TYR 297 0.840 2.214 18.248 57.442 -99.200 -91.000