============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 13 1.000 -38.649 6.178 11.186 -99.200 -91.000 PHE 16 1.000 -47.148 5.854 2.011 -99.200 -91.000 PHE 23 1.000 -56.794 13.326 12.980 -99.200 -91.000 TYR 26 0.840 -50.264 1.986 6.751 -99.200 -91.000 PHE 27 1.000 -45.568 8.229 10.749 -99.200 -91.000 HIS 30 0.900 -37.343 8.230 2.172 -99.200 -91.000 PHE 38 1.000 -21.613 19.520 1.827 -99.200 -91.000 HIS 46 0.900 -19.196 12.017 -11.234 -99.200 -91.000 PHE 60 1.000 -34.538 2.563 12.984 -99.200 -91.000 TYR 67 0.840 -29.312 5.839 1.771 -99.200 -91.000 HIS 77 0.900 -11.958 8.423 9.574 -99.200 -91.000 PHE 85 1.000 -31.291 7.873 21.388 -99.200 -91.000 TYR 89 0.840 -35.510 14.107 10.384 -99.200 -91.000 PHE 90 1.000 -41.489 9.448 14.172 -99.200 -91.000 TYR 95 0.840 -53.229 20.829 10.758 -99.200 -91.000 TYR 105 0.840 -35.252 17.760 15.039 -99.200 -91.000 TYR 106 0.840 -39.750 10.775 19.515 -99.200 -91.000 TYR 124 0.840 -9.845 10.896 7.448 -99.200 -91.000 HIS 132 0.900 -20.959 21.441 4.765 -99.200 -91.000 PHE 152 1.000 -15.470 24.745 10.045 -99.200 -91.000 TRP 169 1.040 -29.253 26.561 17.609 -99.200 -91.000 TRP6 169 1.020 -26.953 26.608 18.098 -99.200 -91.000 TYR 186 0.840 -11.900 28.225 12.802 -99.200 -91.000 TYR 211 0.840 -20.021 39.301 -1.869 -99.200 -91.000 TYR 214 0.840 -23.381 36.109 5.986 -99.200 -91.000 TYR 224 0.840 -29.058 35.660 1.301 -99.200 -91.000 TYR 234 0.840 -24.292 38.061 -3.694 -99.200 -91.000 PHE 241 1.000 -32.482 35.124 -9.707 -99.200 -91.000 TYR 245 0.840 -35.638 25.112 -13.527 -99.200 -91.000 PHE 263 1.000 -21.918 27.459 -5.038 -99.200 -91.000 TYR 267 0.840 -15.601 27.841 -5.396 -99.200 -91.000 TYR 275 0.840 -21.243 23.320 -14.628 -99.200 -91.000 HIS 279 0.900 -24.488 21.093 -13.005 -99.200 -91.000 PHE 306 1.000 -33.727 20.598 -13.296 -99.200 -91.000 PHE 310 1.000 -38.444 21.013 -15.107 -99.200 -91.000