============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 2 1.000 -101.251 -9.038 0.797 -99.200 -91.000 PHE 5 1.000 -96.023 0.021 1.988 -99.200 -91.000 PHE 11 1.000 -100.373 -13.604 3.235 -99.200 -91.000 PHE 27 1.000 -83.531 -24.989 -7.885 -99.200 -91.000 TYR 30 0.840 -79.066 -32.078 -8.000 -99.200 -91.000 HIS 40 0.900 -63.082 -11.015 -4.004 -99.200 -91.000 TYR 59 0.840 -76.892 -12.370 16.926 -99.200 -91.000 HIS 60 0.900 -82.902 -12.397 16.042 -99.200 -91.000 PHE 85 1.000 -66.512 -7.416 15.448 -99.200 -91.000 PHE 93 1.000 -56.212 -13.128 14.999 -99.200 -91.000 PHE 99 1.000 -69.844 -14.436 4.675 -99.200 -91.000 PHE 100 1.000 -68.532 -6.886 8.157 -99.200 -91.000 TYR 116 0.840 -62.114 -4.232 15.288 -99.200 -91.000 HIS 144 0.900 -79.729 -6.567 -4.265 -99.200 -91.000 TYR 159 0.840 -84.880 -14.758 9.827 -99.200 -91.000 PHE 163 1.000 -82.569 -20.231 6.997 -99.200 -91.000 PHE 169 1.000 -69.746 -18.424 2.019 -99.200 -91.000 TYR 216 0.840 -107.366 -9.525 22.058 -99.200 -91.000 HIS 217 0.900 -106.152 -13.061 26.939 -99.200 -91.000 TYR 228 0.840 -80.400 -27.199 11.483 -99.200 -91.000 HIS 229 0.900 -86.663 -25.126 13.619 -99.200 -91.000 TYR 230 0.840 -80.733 -19.576 20.792 -99.200 -91.000 TYR 245 0.840 -96.156 -1.653 20.229 -99.200 -91.000 HIS 247 0.900 -90.811 -9.327 28.854 -99.200 -91.000 HIS 258 0.900 -78.786 -26.135 32.411 -99.200 -91.000 HIS 278 0.900 -79.174 -32.675 15.313 -99.200 -91.000 TYR 280 0.840 -89.857 -35.834 17.533 -99.200 -91.000 HIS 320 0.900 -89.167 -33.124 6.763 -99.200 -91.000 PHE 339 1.000 -101.185 -8.232 9.638 -99.200 -91.000 HIS 340 0.900 -103.530 -12.445 11.214 -99.200 -91.000 TYR 347 0.840 -100.776 -1.635 19.880 -99.200 -91.000