============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 7.800 12.963 22.096 -99.200 -91.000 HIS 20 0.900 13.205 30.669 25.118 -99.200 -91.000 TYR 29 0.840 9.905 24.772 29.307 -99.200 -91.000 TYR 32 0.840 1.508 13.575 23.074 -99.200 -91.000 HIS 43 0.900 -9.453 15.410 32.750 -99.200 -91.000 PHE 46 1.000 -1.014 17.250 39.243 -99.200 -91.000 TYR 48 0.840 1.447 21.636 35.162 -99.200 -91.000 TYR 58 0.840 14.456 10.607 27.400 -99.200 -91.000 TRP 68 1.040 17.797 3.443 39.331 -99.200 -91.000 TRP6 68 1.020 17.028 2.677 37.269 -99.200 -91.000 TYR 77 0.840 18.710 8.293 43.501 -99.200 -91.000 PHE 99 1.000 7.493 3.747 33.316 -99.200 -91.000 PHE 103 1.000 2.855 9.620 27.224 -99.200 -91.000 TYR 132 0.840 23.058 -1.980 11.134 -99.200 -91.000 PHE 143 1.000 15.014 -4.597 20.755 -99.200 -91.000 PHE 144 1.000 18.946 -2.818 17.937 -99.200 -91.000 PHE 152 1.000 15.457 -7.480 16.527 -99.200 -91.000 TRP 156 1.040 25.187 -4.963 21.567 -99.200 -91.000 TRP6 156 1.020 25.010 -2.613 21.751 -99.200 -91.000 TYR 158 0.840 27.079 -2.621 11.648 -99.200 -91.000 PHE 167 1.000 26.477 2.477 19.321 -99.200 -91.000 TYR 185 0.840 23.703 6.488 11.042 -99.200 -91.000 PHE 187 1.000 18.751 8.069 14.995 -99.200 -91.000 TYR 196 0.840 8.684 16.245 14.928 -99.200 -91.000 TYR 217 0.840 7.490 7.407 23.961 -99.200 -91.000 TRP 251 1.040 1.785 19.055 19.958 -99.200 -91.000 TRP6 251 1.020 2.906 21.095 19.706 -99.200 -91.000 TRP 252 1.040 4.332 12.438 15.751 -99.200 -91.000 TRP6 252 1.020 4.230 13.058 18.015 -99.200 -91.000 TYR 253 0.840 0.662 11.855 11.960 -99.200 -91.000