============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 5 0.840 -14.151 -55.428 21.281 -99.200 -91.000 PHE 24 1.000 -4.177 -56.820 28.274 -99.200 -91.000 PHE 25 1.000 -5.241 -61.810 29.109 -99.200 -91.000 PHE 29 1.000 10.644 -60.818 30.969 -99.200 -91.000 TYR 33 0.840 12.260 -69.020 22.664 -99.200 -91.000 TYR 41 0.840 -2.851 -66.470 28.421 -99.200 -91.000 HIS 44 0.900 -15.782 -60.280 31.913 -99.200 -91.000 TRP 51 1.040 -17.239 -51.817 32.245 -99.200 -91.000 TRP6 51 1.020 -15.607 -52.970 33.521 -99.200 -91.000 PHE 65 1.000 3.409 -77.316 17.251 -99.200 -91.000 TYR 72 0.840 -6.739 -72.318 17.936 -99.200 -91.000 PHE 79 1.000 -5.519 -61.519 12.819 -99.200 -91.000 TYR 83 0.840 9.363 -55.256 14.370 -99.200 -91.000 PHE 91 1.000 11.168 -54.311 10.050 -99.200 -91.000 HIS 93 0.900 10.521 -64.540 8.336 -99.200 -91.000 PHE 97 1.000 3.816 -64.004 11.204 -99.200 -91.000 HIS 98 0.900 -0.597 -56.089 5.617 -99.200 -91.000 PHE 110 1.000 -9.899 -58.527 10.552 -99.200 -91.000 HIS 123 0.900 23.835 -52.032 26.150 -99.200 -91.000 TYR 139 0.840 2.355 -54.137 5.112 -99.200 -91.000 TYR 143 0.840 6.916 -48.775 15.206 -99.200 -91.000 PHE 159 1.000 -2.323 -57.802 24.473 -99.200 -91.000 HIS 160 0.900 -6.100 -51.193 27.868 -99.200 -91.000