============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 4.823 -5.132 -20.195 -99.200 -91.000 HIS 35 0.900 25.994 -16.556 -12.723 -99.200 -91.000 TRP 42 1.040 16.189 -30.344 -7.584 -99.200 -91.000 TRP6 42 1.020 15.531 -28.328 -6.540 -99.200 -91.000 TYR 44 0.840 8.092 -29.116 -15.405 -99.200 -91.000 PHE 54 1.000 14.772 -12.497 -14.561 -99.200 -91.000 HIS 93 0.900 7.329 3.160 -6.621 -99.200 -91.000 PHE 94 1.000 13.092 -2.299 -6.813 -99.200 -91.000 PHE 116 1.000 -5.035 2.958 -1.320 -99.200 -91.000 PHE 125 1.000 -5.622 -9.033 -8.052 -99.200 -91.000 TYR 127 0.840 -4.652 -8.065 3.094 -99.200 -91.000 TYR 159 0.840 26.888 -15.820 -8.198 -99.200 -91.000 PHE 165 1.000 15.123 -22.497 -7.782 -99.200 -91.000 PHE 167 1.000 10.704 -14.575 -4.971 -99.200 -91.000 PHE 181 1.000 -27.952 -10.913 -11.692 -99.200 -91.000 TRP 205 1.040 15.779 -0.542 0.361 -99.200 -91.000 TRP6 205 1.020 17.356 -1.315 -1.230 -99.200 -91.000 PHE 208 1.000 23.264 -1.159 -0.217 -99.200 -91.000 PHE 218 1.000 21.732 -9.739 -4.173 -99.200 -91.000 PHE 227 1.000 5.798 -27.592 -0.444 -99.200 -91.000 TRP 229 1.040 1.631 -19.789 6.816 -99.200 -91.000 TRP6 229 1.020 1.378 -18.242 5.049 -99.200 -91.000 PHE 232 1.000 -1.050 -28.138 9.121 -99.200 -91.000 PHE 255 1.000 -6.931 -23.076 -5.961 -99.200 -91.000 HIS 258 0.900 1.965 -15.732 -5.099 -99.200 -91.000 HIS 286 0.900 6.235 -22.048 -20.439 -99.200 -91.000 TYR 319 0.840 0.327 -19.259 -1.366 -99.200 -91.000 TYR 325 0.840 -4.617 -15.815 5.965 -99.200 -91.000