============================================================================= 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 1.000 138.540 19.239 -63.491 -99.200 -91.000 PHE 5 1.000 130.850 21.098 -57.304 -99.200 -91.000 TYR 28 0.840 152.896 6.908 -47.676 -99.200 -91.000 TYR 44 0.840 164.482 8.130 -32.302 -99.200 -91.000 TYR 48 0.840 170.638 4.646 -27.784 -99.200 -91.000 TYR 50 0.840 176.953 10.438 -35.712 -99.200 -91.000 HIS 51 0.900 172.894 11.512 -26.691 -99.200 -91.000 PHE 54 1.000 178.132 14.020 -24.901 -99.200 -91.000 TYR 56 0.840 186.243 6.486 -26.036 -99.200 -91.000 PHE 57 1.000 186.110 10.381 -29.261 -99.200 -91.000 PHE 70 1.000 181.178 15.912 -36.129 -99.200 -91.000 PHE 71 1.000 181.966 11.768 -33.005 -99.200 -91.000 HIS 81 0.900 169.407 14.541 -40.410 -99.200 -91.000 TYR 88 0.840 156.791 12.266 -46.799 -99.200 -91.000 PHE 108 1.000 182.519 4.677 -30.112 -99.200 -91.000 HIS 110 0.900 192.297 0.781 -34.418 -99.200 -91.000 HIS 118 0.900 187.878 2.470 -34.432 -99.200 -91.000 HIS 138 0.900 164.943 8.558 -55.150 -99.200 -91.000 PHE 152 1.000 160.460 14.116 -46.699 -99.200 -91.000 TYR 157 0.840 165.608 13.084 -44.729 -99.200 -91.000 TYR 171 0.840 185.186 17.283 -39.340 -99.200 -91.000 HIS 182 0.900 201.296 20.017 -30.313 -99.200 -91.000 TRP 185 1.040 194.842 19.204 -26.780 -99.200 -91.000 TRP6 185 1.020 195.719 21.360 -27.184 -99.200 -91.000 HIS 186 0.900 196.812 23.007 -33.649 -99.200 -91.000 PHE 187 1.000 190.184 17.196 -36.611 -99.200 -91.000 HIS 193 0.900 187.703 27.202 -29.528 -99.200 -91.000