============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 15.050 7.325 -19.067 -99.200 -91.000 PHE 8 1.000 9.075 -4.720 -16.813 -99.200 -91.000 TRP 31 1.040 -5.832 -21.442 -19.489 -99.200 -91.000 TRP6 31 1.020 -5.080 -22.461 -21.505 -99.200 -91.000 TYR 37 0.840 -7.735 -15.361 -12.701 -99.200 -91.000 HIS 41 0.900 -17.366 -5.078 -19.214 -99.200 -91.000 TYR 54 0.840 -22.241 -6.869 -13.493 -99.200 -91.000 HIS 64 0.900 -24.541 -25.527 -20.511 -99.200 -91.000 PHE 66 1.000 -19.698 -17.478 -18.446 -99.200 -91.000 HIS 80 0.900 -20.514 -20.555 -13.589 -99.200 -91.000 TYR 101 0.840 -0.157 -16.767 -11.443 -99.200 -91.000 PHE 103 1.000 -3.899 -12.839 -10.288 -99.200 -91.000 PHE 112 1.000 -0.565 -0.312 -15.622 -99.200 -91.000 TYR 118 0.840 -8.047 -4.417 -29.752 -99.200 -91.000 TYR 126 0.840 -0.636 0.871 -24.358 -99.200 -91.000 HIS 134 0.900 -7.375 6.537 -7.620 -99.200 -91.000 PHE 140 1.000 -6.434 -0.532 -23.260 -99.200 -91.000 PHE 150 1.000 3.125 -7.314 -19.207 -99.200 -91.000 TYR 154 0.840 15.240 -10.623 -9.843 -99.200 -91.000 PHE 159 1.000 -0.520 -11.653 -15.323 -99.200 -91.000 TYR 161 0.840 -5.827 -1.417 -16.376 -99.200 -91.000 HIS 163 0.900 -9.501 -0.931 -20.883 -99.200 -91.000 HIS 164 0.900 -12.956 -4.712 -15.514 -99.200 -91.000 HIS 172 0.900 -8.112 4.123 -22.440 -99.200 -91.000 PHE 181 1.000 -14.086 -0.803 -12.453 -99.200 -91.000 TYR 182 0.840 -5.575 -0.502 -9.989 -99.200 -91.000 PHE 185 1.000 -13.005 6.178 -12.466 -99.200 -91.000 TRP 207 1.040 12.304 12.568 -17.866 -99.200 -91.000 TRP6 207 1.020 12.104 14.923 -18.061 -99.200 -91.000 TYR 209 0.840 18.240 13.132 -8.596 -99.200 -91.000 TRP 218 1.040 19.114 22.012 -20.069 -99.200 -91.000 TRP6 218 1.020 17.438 23.557 -19.408 -99.200 -91.000 PHE 219 1.000 18.313 19.211 -15.637 -99.200 -91.000 PHE 223 1.000 19.485 30.541 -6.216 -99.200 -91.000 PHE 230 1.000 8.811 20.571 -5.114 -99.200 -91.000 TYR 237 0.840 4.087 26.776 -11.354 -99.200 -91.000 TYR 239 0.840 4.955 19.458 -11.290 -99.200 -91.000 HIS 246 0.900 6.391 11.150 -2.582 -99.200 -91.000 PHE 291 1.000 10.349 7.562 -18.876 -99.200 -91.000 PHE 294 1.000 11.854 -1.399 -10.983 -99.200 -91.000 PHE 305 1.000 29.224 11.672 -21.221 -99.200 -91.000