============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 21.975 40.120 -55.363 -99.200 -91.000 PHE 29 1.000 20.554 36.863 -60.614 -99.200 -91.000 TYR 32 0.840 20.964 44.972 -57.494 -99.200 -91.000 TRP 33 1.040 23.018 46.448 -65.965 -99.200 -91.000 TRP6 33 1.020 23.979 46.511 -68.120 -99.200 -91.000 TRP 36 1.040 30.297 35.150 -65.234 -99.200 -91.000 TRP6 36 1.020 30.690 33.521 -63.570 -99.200 -91.000 TRP 47 1.040 34.333 43.586 -67.113 -99.200 -91.000 TRP6 47 1.020 33.585 43.981 -69.308 -99.200 -91.000 TYR 60 0.840 30.305 38.091 -74.212 -99.200 -91.000 PHE 68 1.000 36.193 34.185 -71.797 -99.200 -91.000 TYR 80 0.840 23.237 29.368 -65.409 -99.200 -91.000 TYR 94 0.840 37.653 31.798 -65.097 -99.200 -91.000 TYR 95 0.840 37.828 36.276 -57.936 -99.200 -91.000 PHE 101 1.000 24.315 50.314 -65.454 -99.200 -91.000 TYR 104 0.840 17.754 59.252 -62.379 -99.200 -91.000 HIS 106 0.900 26.737 61.452 -64.846 -99.200 -91.000 TYR 107 0.840 28.064 54.336 -57.290 -99.200 -91.000 TYR 111 0.840 27.278 43.302 -51.471 -99.200 -91.000 TRP 112 1.040 34.013 42.106 -56.322 -99.200 -91.000 TRP6 112 1.020 35.592 41.768 -58.037 -99.200 -91.000 PHE 131 1.000 54.678 13.316 -45.869 -99.200 -91.000 TYR 154 0.840 48.520 20.898 -53.389 -99.200 -91.000 PHE 155 1.000 48.067 19.690 -61.943 -99.200 -91.000 TRP 163 1.040 46.358 24.411 -38.433 -99.200 -91.000 TRP6 163 1.020 47.854 22.710 -37.778 -99.200 -91.000 HIS 173 0.900 51.143 33.543 -39.832 -99.200 -91.000 PHE 175 1.000 54.167 30.278 -44.295 -99.200 -91.000 TYR 185 0.840 50.482 24.064 -58.069 -99.200 -91.000 TYR 203 0.840 48.608 22.176 -30.420 -99.200 -91.000 HIS 209 0.900 43.762 17.974 -54.455 -99.200 -91.000