============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 138.979 19.912 -63.250 -99.200 -91.000 PHE 5 1.000 131.229 21.619 -57.332 -99.200 -91.000 TYR 28 0.840 153.180 7.177 -47.702 -99.200 -91.000 TYR 44 0.840 164.682 8.297 -32.299 -99.200 -91.000 TYR 48 0.840 170.761 4.745 -27.655 -99.200 -91.000 TYR 50 0.840 177.182 10.402 -35.660 -99.200 -91.000 HIS 51 0.900 173.054 11.594 -26.565 -99.200 -91.000 PHE 54 1.000 178.325 14.011 -24.780 -99.200 -91.000 TYR 56 0.840 186.330 6.532 -25.934 -99.200 -91.000 PHE 57 1.000 186.267 10.385 -29.126 -99.200 -91.000 PHE 70 1.000 181.476 15.915 -35.983 -99.200 -91.000 PHE 71 1.000 182.178 11.782 -32.928 -99.200 -91.000 HIS 81 0.900 169.698 14.536 -40.461 -99.200 -91.000 TYR 88 0.840 157.106 12.581 -46.943 -99.200 -91.000 PHE 108 1.000 182.592 4.620 -30.014 -99.200 -91.000 HIS 110 0.900 192.298 0.901 -34.238 -99.200 -91.000 HIS 118 0.900 187.982 2.566 -34.312 -99.200 -91.000 HIS 138 0.900 165.317 8.579 -55.159 -99.200 -91.000 PHE 152 1.000 160.816 14.052 -46.652 -99.200 -91.000 TYR 157 0.840 165.929 12.977 -44.626 -99.200 -91.000 TYR 171 0.840 185.332 17.390 -39.259 -99.200 -91.000 HIS 182 0.900 201.165 20.030 -30.201 -99.200 -91.000 TRP 185 1.040 195.028 19.252 -26.739 -99.200 -91.000 TRP6 185 1.020 195.888 21.415 -27.143 -99.200 -91.000 HIS 186 0.900 197.041 23.027 -33.590 -99.200 -91.000 PHE 187 1.000 190.392 17.329 -36.591 -99.200 -91.000 HIS 193 0.900 187.819 27.156 -29.471 -99.200 -91.000