============================================================================= 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. PHE 33 1.000 -16.214 20.364 42.425 -99.200 -91.000 HIS 49 0.900 -29.781 18.041 25.754 -99.200 -91.000 TYR 55 0.840 -29.924 2.038 21.358 -99.200 -91.000 TYR 66 0.840 -14.337 20.005 46.306 -99.200 -91.000 PHE 81 1.000 -5.261 29.736 40.371 -99.200 -91.000 TRP 92 1.040 5.069 30.261 31.270 -99.200 -91.000 TRP6 92 1.020 3.284 29.389 32.542 -99.200 -91.000 HIS 111 0.900 -13.871 18.793 50.302 -99.200 -91.000 PHE 120 1.000 -6.770 3.998 38.849 -99.200 -91.000 PHE 136 1.000 0.953 8.170 47.943 -99.200 -91.000 HIS 138 0.900 -1.562 17.752 50.949 -99.200 -91.000 TYR 160 0.840 -0.845 11.422 13.482 -99.200 -91.000 TYR 161 0.840 4.273 14.609 15.805 -99.200 -91.000 HIS 181 0.900 3.144 15.747 30.218 -99.200 -91.000 TYR 191 0.840 13.353 -0.001 26.133 -99.200 -91.000 PHE 201 1.000 10.013 -0.376 9.732 -99.200 -91.000 PHE 216 1.000 13.540 10.290 19.496 -99.200 -91.000 TYR 234 0.840 -9.392 21.779 23.533 -99.200 -91.000 TYR 248 0.840 -10.190 1.167 38.807 -99.200 -91.000 TYR 266 0.840 12.932 3.154 36.082 -99.200 -91.000 HIS 268 0.900 16.050 8.547 40.601 -99.200 -91.000 PHE 272 1.000 3.163 9.424 43.015 -99.200 -91.000 PHE 300 1.000 13.174 7.185 35.392 -99.200 -91.000