============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 30 0.840 16.346 -3.224 26.364 -99.200 -91.000 TYR 36 0.840 15.303 0.226 30.898 -99.200 -91.000 TRP 39 1.040 19.951 11.926 36.526 -99.200 -91.000 TRP6 39 1.020 22.150 12.792 36.622 -99.200 -91.000 PHE 40 1.000 20.487 5.679 42.619 -99.200 -91.000 TYR 53 0.840 11.280 5.063 38.107 -99.200 -91.000 PHE 66 1.000 15.977 17.247 43.656 -99.200 -91.000 PHE 75 1.000 21.421 9.682 29.376 -99.200 -91.000 TYR 90 0.840 22.337 16.182 43.623 -99.200 -91.000 TYR 91 0.840 27.718 9.186 43.788 -99.200 -91.000 PHE 95 1.000 18.579 -1.567 36.704 -99.200 -91.000 TYR 98 0.840 27.039 -8.790 32.038 -99.200 -91.000 PHE 100 1.000 22.240 -3.934 35.935 -99.200 -91.000 PHE 102 1.000 25.648 2.814 41.227 -99.200 -91.000 PHE 122 1.000 36.166 22.719 74.037 -99.200 -91.000 PHE 139 1.000 35.357 20.649 68.984 -99.200 -91.000 PHE 143 1.000 35.315 27.096 58.588 -99.200 -91.000 TYR 144 0.840 30.496 29.849 51.796 -99.200 -91.000 TRP 152 1.040 46.865 23.792 67.265 -99.200 -91.000 TRP6 152 1.020 45.524 23.791 69.211 -99.200 -91.000 TRP 167 1.040 39.405 21.193 56.983 -99.200 -91.000 TRP6 167 1.020 41.258 19.730 56.800 -99.200 -91.000 TYR 177 0.840 32.163 24.263 53.407 -99.200 -91.000 TYR 190 0.840 48.522 20.316 79.108 -99.200 -91.000 HIS 193 0.900 56.392 24.464 76.781 -99.200 -91.000 TYR 196 0.840 49.600 24.134 76.287 -99.200 -91.000 HIS 202 0.900 36.597 32.433 57.069 -99.200 -91.000 PHE 213 1.000 44.445 25.413 77.529 -99.200 -91.000