============================================================================= 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 9 1.000 9.389 28.385 20.224 -99.200 -91.000 PHE 17 1.000 3.620 28.989 19.162 -99.200 -91.000 TYR 39 0.840 15.752 28.880 28.166 -99.200 -91.000 TYR 42 0.840 12.352 33.599 30.326 -99.200 -91.000 TYR 46 0.840 7.811 37.002 30.754 -99.200 -91.000 HIS 50 0.900 8.843 41.515 17.351 -99.200 -91.000 PHE 53 1.000 1.460 33.686 22.887 -99.200 -91.000 HIS 63 0.900 5.161 16.724 25.108 -99.200 -91.000 TRP 84 1.040 9.515 16.697 11.888 -99.200 -91.000 TRP6 84 1.020 9.084 18.292 13.588 -99.200 -91.000 PHE 99 1.000 19.852 20.717 10.802 -99.200 -91.000 HIS 108 0.900 13.426 19.029 9.492 -99.200 -91.000 PHE 129 1.000 9.330 28.359 -4.996 -99.200 -91.000 PHE 135 1.000 4.875 32.718 -1.681 -99.200 -91.000 TYR 138 0.840 5.403 24.445 -4.357 -99.200 -91.000 PHE 164 1.000 9.002 53.632 -13.494 -99.200 -91.000 HIS 175 0.900 19.594 42.600 8.688 -99.200 -91.000 HIS 189 0.900 35.805 29.554 12.072 -99.200 -91.000 TRP 192 1.040 38.603 36.663 10.387 -99.200 -91.000 TRP6 192 1.020 40.853 37.228 9.916 -99.200 -91.000 PHE 229 1.000 27.944 49.831 5.109 -99.200 -91.000 TYR 251 0.840 11.409 59.615 -5.117 -99.200 -91.000 TYR 272 0.840 3.556 55.365 -1.592 -99.200 -91.000 PHE 282 1.000 8.299 51.255 8.391 -99.200 -91.000 PHE 290 1.000 9.236 54.003 -2.790 -99.200 -91.000 PHE 302 1.000 23.032 56.580 -10.559 -99.200 -91.000 TRP 308 1.040 11.839 52.279 6.356 -99.200 -91.000 TRP6 308 1.020 13.625 52.488 7.890 -99.200 -91.000 TYR 309 0.840 14.750 44.209 5.275 -99.200 -91.000 TYR 315 0.840 12.445 34.780 5.959 -99.200 -91.000 HIS 325 0.900 1.685 29.317 -3.772 -99.200 -91.000