============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 3 0.840 -2.396 45.007 18.560 -99.200 -91.000 TYR 5 0.840 -4.497 41.827 28.372 -99.200 -91.000 PHE 15 1.000 -3.923 43.797 43.172 -99.200 -91.000 PHE 24 1.000 -2.040 28.303 42.175 -99.200 -91.000 PHE 25 1.000 5.328 32.240 49.201 -99.200 -91.000 TYR 37 0.840 4.375 35.149 43.158 -99.200 -91.000 PHE 43 1.000 -0.819 40.579 31.608 -99.200 -91.000 PHE 44 1.000 3.894 45.414 35.416 -99.200 -91.000 HIS 46 0.900 9.172 44.405 24.481 -99.200 -91.000 TRP 50 1.040 4.004 51.623 30.592 -99.200 -91.000 TRP6 50 1.020 2.830 50.321 32.181 -99.200 -91.000 TYR 74 0.840 12.825 30.906 40.685 -99.200 -91.000 TYR 80 0.840 20.356 27.828 46.900 -99.200 -91.000 HIS 86 0.900 13.069 36.407 39.242 -99.200 -91.000 TYR 102 0.840 17.270 36.245 55.289 -99.200 -91.000 TYR 110 0.840 22.037 27.783 51.905 -99.200 -91.000 PHE 111 1.000 25.655 29.200 41.820 -99.200 -91.000 PHE 113 1.000 28.614 34.161 42.869 -99.200 -91.000 TYR 122 0.840 27.662 45.359 58.267 -99.200 -91.000 TYR 138 0.840 26.435 38.845 59.624 -99.200 -91.000