============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 14.620 12.389 28.625 -99.200 -91.000 TYR 11 0.840 7.726 30.971 21.257 -99.200 -91.000 TRP 14 1.040 18.457 28.583 19.020 -99.200 -91.000 TRP6 14 1.020 16.959 30.364 18.588 -99.200 -91.000 TRP 37 1.040 18.155 17.328 19.079 -99.200 -91.000 TRP6 37 1.020 18.914 18.578 20.928 -99.200 -91.000 TRP 51 1.040 17.401 25.629 29.546 -99.200 -91.000 TRP6 51 1.020 19.110 24.085 30.170 -99.200 -91.000 TYR 57 0.840 24.808 36.071 16.613 -99.200 -91.000 PHE 58 1.000 23.401 30.085 20.463 -99.200 -91.000 PHE 80 1.000 21.452 22.135 35.642 -99.200 -91.000 PHE 90 1.000 16.040 14.637 32.253 -99.200 -91.000 TYR 95 0.840 18.897 3.774 45.184 -99.200 -91.000 TYR 99 0.840 11.791 8.337 41.584 -99.200 -91.000 PHE 108 1.000 5.826 29.448 31.740 -99.200 -91.000 PHE 114 1.000 10.014 15.248 31.588 -99.200 -91.000 PHE 152 1.000 11.519 40.735 45.041 -99.200 -91.000 TYR 157 0.840 10.457 36.130 48.057 -99.200 -91.000 TYR 169 0.840 6.625 38.263 44.484 -99.200 -91.000 PHE 172 1.000 2.029 34.230 38.267 -99.200 -91.000 PHE 173 1.000 6.456 31.652 38.986 -99.200 -91.000 PHE 181 1.000 8.771 19.818 42.894 -99.200 -91.000 TYR 183 0.840 7.090 26.508 48.674 -99.200 -91.000 TYR 199 0.840 10.804 9.869 30.736 -99.200 -91.000 PHE 203 1.000 10.819 23.049 24.704 -99.200 -91.000