============================================================================= 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 21 1.000 15.804 22.269 35.076 -99.200 -91.000 PHE 25 1.000 20.122 24.429 30.384 -99.200 -91.000 HIS 27 0.900 23.312 14.665 29.425 -99.200 -91.000 PHE 28 1.000 20.891 23.211 23.444 -99.200 -91.000 PHE 31 1.000 24.466 24.617 20.931 -99.200 -91.000 TRP 44 1.040 7.972 41.455 6.913 -99.200 -91.000 TRP6 44 1.020 10.192 40.794 7.370 -99.200 -91.000 TRP 68 1.040 33.828 31.096 19.613 -99.200 -91.000 TRP6 68 1.020 34.267 32.554 17.801 -99.200 -91.000 TYR 70 0.840 25.017 36.763 17.292 -99.200 -91.000 PHE 82 1.000 12.429 37.446 11.342 -99.200 -91.000 HIS 87 0.900 21.421 28.809 20.518 -99.200 -91.000 TYR 94 0.840 18.431 19.569 26.092 -99.200 -91.000 PHE 96 1.000 8.986 24.015 24.103 -99.200 -91.000 PHE 102 1.000 7.613 17.696 35.877 -99.200 -91.000 TYR 108 0.840 -0.700 11.879 41.428 -99.200 -91.000 PHE 109 1.000 0.869 14.154 31.153 -99.200 -91.000 PHE 126 1.000 6.148 31.039 26.954 -99.200 -91.000 PHE 133 1.000 14.703 28.146 29.283 -99.200 -91.000 PHE 137 1.000 16.458 36.465 35.095 -99.200 -91.000 TRP 144 1.040 16.670 33.408 31.625 -99.200 -91.000 TRP6 144 1.020 16.285 35.396 30.405 -99.200 -91.000 TYR 151 0.840 20.606 31.319 25.725 -99.200 -91.000 PHE 160 1.000 14.541 46.043 38.239 -99.200 -91.000 PHE 171 1.000 6.255 34.217 35.620 -99.200 -91.000 HIS 172 0.900 11.947 34.126 33.306 -99.200 -91.000 TYR 173 0.840 14.811 41.173 36.123 -99.200 -91.000 HIS 181 0.900 11.948 26.598 50.348 -99.200 -91.000 TYR 185 0.840 11.430 28.042 40.982 -99.200 -91.000 PHE 194 1.000 -1.420 16.535 36.237 -99.200 -91.000 HIS 204 0.900 -12.685 20.686 30.399 -99.200 -91.000 PHE 214 1.000 -0.226 17.428 41.148 -99.200 -91.000 TYR 221 0.840 7.432 22.970 50.712 -99.200 -91.000 HIS 231 0.900 7.930 33.408 54.057 -99.200 -91.000 PHE 233 1.000 -2.974 37.360 52.386 -99.200 -91.000 PHE 235 1.000 -2.236 28.347 47.243 -99.200 -91.000 HIS 252 0.900 6.332 35.876 25.187 -99.200 -91.000 HIS 263 0.900 12.936 33.767 9.418 -99.200 -91.000 PHE 265 1.000 11.196 30.604 14.681 -99.200 -91.000 PHE 274 1.000 4.686 26.370 21.328 -99.200 -91.000