============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 23 0.840 -13.001 22.401 -3.118 -99.200 -91.000 PHE 32 1.000 -0.625 33.519 -14.060 -99.200 -91.000 TYR 45 0.840 16.820 45.434 -16.121 -99.200 -91.000 TYR 50 0.840 13.892 33.584 -12.407 -99.200 -91.000 PHE 51 1.000 9.247 34.406 -13.955 -99.200 -91.000 TYR 58 0.840 12.235 23.575 -14.029 -99.200 -91.000 HIS 62 0.900 6.492 17.962 -20.585 -99.200 -91.000 PHE 74 1.000 6.242 31.016 -30.702 -99.200 -91.000 HIS 95 0.900 -2.405 18.417 -39.388 -99.200 -91.000 TYR 96 0.840 0.074 9.984 -40.006 -99.200 -91.000 HIS 103 0.900 -7.750 21.358 -32.687 -99.200 -91.000 TYR 117 0.840 -3.902 21.577 -44.183 -99.200 -91.000 PHE 118 1.000 -3.530 14.896 -48.429 -99.200 -91.000 PHE 153 1.000 5.083 10.608 -34.035 -99.200 -91.000 PHE 168 1.000 5.570 22.686 -35.833 -99.200 -91.000 PHE 181 1.000 -2.443 5.471 -25.024 -99.200 -91.000 TYR 221 0.840 11.099 34.251 -28.783 -99.200 -91.000 PHE 227 1.000 4.035 40.051 -37.967 -99.200 -91.000 TYR 240 0.840 9.943 28.418 -12.865 -99.200 -91.000 PHE 246 1.000 4.008 16.414 -16.864 -99.200 -91.000 PHE 255 1.000 -6.304 9.929 -17.915 -99.200 -91.000 PHE 261 1.000 -15.955 9.557 -7.524 -99.200 -91.000 TYR 284 0.840 -24.166 6.402 -12.687 -99.200 -91.000 PHE 291 1.000 -18.690 11.649 -11.289 -99.200 -91.000 TYR 297 0.840 -38.788 15.506 -14.052 -99.200 -91.000 PHE 312 1.000 -26.468 28.994 -10.790 -99.200 -91.000 TYR 318 0.840 -22.051 20.119 -0.618 -99.200 -91.000 TYR 351 0.840 -16.319 18.633 -0.401 -99.200 -91.000 PHE 364 1.000 -34.940 16.205 -9.185 -99.200 -91.000