============================================================================= 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 -0.726 18.038 -99.200 -91.000 HIS 25 0.900 23.605 8.350 5.844 -99.200 -91.000 TYR 27 0.840 18.243 3.235 12.664 -99.200 -91.000 TYR 30 0.840 24.136 -3.392 10.153 -99.200 -91.000 TYR 40 0.840 14.508 -15.217 0.596 -99.200 -91.000 HIS 42 0.900 11.627 -19.139 -0.746 -99.200 -91.000 PHE 67 1.000 21.940 -15.857 14.115 -99.200 -91.000 PHE 90 1.000 18.145 1.054 30.686 -99.200 -91.000 PHE 105 1.000 21.108 12.336 30.522 -99.200 -91.000 HIS 125 0.900 7.158 18.095 30.806 -99.200 -91.000 HIS 126 0.900 10.171 13.572 24.579 -99.200 -91.000 TYR 133 0.840 3.449 8.226 32.736 -99.200 -91.000 PHE 134 1.000 12.564 1.742 30.914 -99.200 -91.000 PHE 137 1.000 5.359 6.276 27.836 -99.200 -91.000 TYR 164 0.840 -11.977 19.161 15.731 -99.200 -91.000 PHE 172 1.000 -6.786 0.308 15.355 -99.200 -91.000 HIS 188 0.900 -12.950 22.055 11.992 -99.200 -91.000 PHE 191 1.000 -4.425 23.277 9.071 -99.200 -91.000 HIS 203 0.900 -5.183 24.449 23.947 -99.200 -91.000 HIS 213 0.900 -9.934 13.409 34.828 -99.200 -91.000 PHE 214 1.000 -7.492 8.309 25.619 -99.200 -91.000 PHE 226 1.000 -0.887 15.968 23.035 -99.200 -91.000 TYR 241 0.840 -7.388 -1.180 30.560 -99.200 -91.000 HIS 243 0.900 -0.470 6.241 33.143 -99.200 -91.000 TYR 256 0.840 -7.888 11.108 5.075 -99.200 -91.000 TYR 257 0.840 -8.037 10.919 -0.008 -99.200 -91.000 TYR 262 0.840 3.804 11.141 8.371 -99.200 -91.000 PHE 263 1.000 0.262 10.174 12.336 -99.200 -91.000 PHE 269 1.000 4.357 1.606 1.801 -99.200 -91.000 HIS 276 0.900 9.314 3.242 -7.351 -99.200 -91.000 PHE 282 1.000 6.024 11.736 -10.268 -99.200 -91.000 TYR 287 0.840 2.510 19.144 5.360 -99.200 -91.000 PHE 311 1.000 0.407 2.952 -2.863 -99.200 -91.000 TYR 313 0.840 -0.129 11.816 -9.475 -99.200 -91.000 TRP 316 1.040 6.126 1.282 -6.212 -99.200 -91.000 TRP6 316 1.020 6.442 1.358 -3.866 -99.200 -91.000 TYR 318 0.840 -4.419 1.214 -2.448 -99.200 -91.000