============================================================================= 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. TYR 2 0.840 22.945 33.162 23.895 -99.200 -91.000 PHE 3 1.000 24.230 37.629 26.253 -99.200 -91.000 PHE 8 1.000 19.456 42.351 8.988 -99.200 -91.000 TYR 28 0.840 5.975 49.814 45.863 -99.200 -91.000 PHE 29 1.000 3.921 47.654 41.153 -99.200 -91.000 PHE 34 1.000 4.703 51.905 36.705 -99.200 -91.000 PHE 43 1.000 3.958 59.949 24.232 -99.200 -91.000 TYR 46 0.840 3.053 57.684 19.083 -99.200 -91.000 PHE 57 1.000 0.226 50.570 28.295 -99.200 -91.000 PHE 71 1.000 -15.149 38.190 19.137 -99.200 -91.000 PHE 85 1.000 2.227 34.796 14.260 -99.200 -91.000 HIS 87 0.900 -4.552 26.959 12.703 -99.200 -91.000 PHE 89 1.000 -6.787 37.002 16.650 -99.200 -91.000 HIS 96 0.900 -10.656 30.768 25.700 -99.200 -91.000 TYR 100 0.840 -13.479 28.382 14.074 -99.200 -91.000 HIS 107 0.900 1.021 28.725 4.298 -99.200 -91.000 TYR 117 0.840 -17.853 43.742 0.704 -99.200 -91.000 TYR 119 0.840 -16.222 34.137 3.735 -99.200 -91.000 PHE 124 1.000 -19.356 35.077 9.084 -99.200 -91.000 TYR 140 0.840 -4.531 39.578 5.718 -99.200 -91.000 PHE 146 1.000 -17.405 41.589 5.163 -99.200 -91.000 PHE 152 1.000 -15.812 44.073 19.528 -99.200 -91.000 PHE 153 1.000 -11.605 45.853 11.459 -99.200 -91.000 PHE 161 1.000 1.289 51.053 17.604 -99.200 -91.000 PHE 166 1.000 -5.003 49.810 12.896 -99.200 -91.000 TYR 208 0.840 -1.523 37.750 34.349 -99.200 -91.000 PHE 209 1.000 -4.558 35.951 29.718 -99.200 -91.000 PHE 225 1.000 -3.622 40.309 39.143 -99.200 -91.000 HIS 245 0.900 14.256 60.728 16.206 -99.200 -91.000 PHE 262 1.000 16.100 41.928 2.235 -99.200 -91.000 PHE 271 1.000 17.938 35.034 -1.300 -99.200 -91.000 HIS 286 0.900 10.926 29.031 -2.724 -99.200 -91.000 TYR 293 0.840 15.910 25.991 11.097 -99.200 -91.000 PHE 296 1.000 17.725 30.644 12.411 -99.200 -91.000 TYR 303 0.840 28.368 34.308 6.201 -99.200 -91.000 TRP 306 1.040 20.327 35.539 16.041 -99.200 -91.000 TRP6 306 1.020 20.778 37.147 17.692 -99.200 -91.000 PHE 318 1.000 15.651 33.868 3.599 -99.200 -91.000 HIS 322 0.900 12.489 44.721 5.651 -99.200 -91.000 HIS 328 0.900 17.792 52.715 4.090 -99.200 -91.000 PHE 338 1.000 20.507 36.872 2.280 -99.200 -91.000