============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 16 1.000 28.038 -0.401 18.047 -99.200 -91.000 HIS 25 0.900 23.199 8.597 5.814 -99.200 -91.000 TYR 27 0.840 18.255 3.516 12.760 -99.200 -91.000 TYR 30 0.840 24.251 -3.179 10.220 -99.200 -91.000 TYR 40 0.840 14.379 -15.093 0.780 -99.200 -91.000 HIS 42 0.900 11.740 -19.347 -0.526 -99.200 -91.000 PHE 67 1.000 21.897 -15.769 14.016 -99.200 -91.000 PHE 90 1.000 18.680 1.945 31.442 -99.200 -91.000 PHE 105 1.000 21.337 12.831 30.558 -99.200 -91.000 HIS 125 0.900 7.143 18.346 30.329 -99.200 -91.000 HIS 126 0.900 10.293 13.671 24.417 -99.200 -91.000 TYR 133 0.840 3.638 8.257 32.574 -99.200 -91.000 PHE 134 1.000 13.176 2.431 31.034 -99.200 -91.000 PHE 137 1.000 5.705 6.627 27.602 -99.200 -91.000 TYR 164 0.840 -11.938 19.419 15.652 -99.200 -91.000 PHE 172 1.000 -6.824 0.553 15.103 -99.200 -91.000 HIS 188 0.900 -13.003 22.351 11.945 -99.200 -91.000 PHE 191 1.000 -4.293 23.477 8.917 -99.200 -91.000 HIS 203 0.900 -4.971 24.886 23.716 -99.200 -91.000 HIS 213 0.900 -9.919 13.600 34.614 -99.200 -91.000 PHE 214 1.000 -7.311 8.566 25.414 -99.200 -91.000 PHE 226 1.000 -0.719 16.112 22.863 -99.200 -91.000 TYR 241 0.840 -7.258 -0.853 30.536 -99.200 -91.000 HIS 243 0.900 -0.232 6.663 33.072 -99.200 -91.000 TYR 256 0.840 -7.884 11.253 4.924 -99.200 -91.000 TYR 257 0.840 -8.062 10.977 -0.396 -99.200 -91.000 TYR 262 0.840 4.033 11.329 8.143 -99.200 -91.000 PHE 263 1.000 0.338 10.187 12.350 -99.200 -91.000 PHE 269 1.000 4.408 1.827 1.758 -99.200 -91.000 HIS 276 0.900 9.329 3.339 -7.515 -99.200 -91.000 PHE 282 1.000 5.997 11.912 -10.477 -99.200 -91.000 TYR 287 0.840 2.512 19.218 5.258 -99.200 -91.000 PHE 311 1.000 0.425 3.139 -2.851 -99.200 -91.000 TYR 313 0.840 0.073 11.945 -9.723 -99.200 -91.000 TRP 316 1.040 6.112 1.387 -6.256 -99.200 -91.000 TRP6 316 1.020 6.432 1.548 -3.913 -99.200 -91.000 TYR 318 0.840 -4.191 1.190 -2.393 -99.200 -91.000