============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 14 0.900 46.748 -16.433 23.827 -99.200 -91.000 PHE 40 1.000 40.921 -21.361 37.575 -99.200 -91.000 HIS 46 0.900 48.100 -11.528 28.498 -99.200 -91.000 PHE 57 1.000 38.485 -4.880 42.074 -99.200 -91.000 HIS 61 0.900 21.738 -7.338 33.991 -99.200 -91.000 PHE 72 1.000 38.584 -11.770 40.939 -99.200 -91.000 PHE 85 1.000 56.265 -2.201 50.066 -99.200 -91.000 TYR 101 0.840 59.879 -14.734 46.365 -99.200 -91.000 TYR 120 0.840 25.638 -14.832 41.359 -99.200 -91.000 TYR 140 0.840 51.207 -20.486 26.039 -99.200 -91.000 PHE 157 1.000 60.281 -13.032 33.450 -99.200 -91.000 TYR 160 0.840 63.047 -11.608 42.007 -99.200 -91.000 TYR 166 0.840 58.450 -22.374 37.955 -99.200 -91.000 PHE 167 1.000 57.201 -17.091 33.899 -99.200 -91.000 PHE 168 1.000 65.190 -15.797 31.810 -99.200 -91.000 HIS 172 0.900 69.411 -19.082 34.216 -99.200 -91.000 TYR 175 0.840 60.444 -20.458 26.878 -99.200 -91.000 PHE 181 1.000 56.148 -20.515 29.174 -99.200 -91.000 PHE 201 1.000 46.817 -19.817 44.986 -99.200 -91.000 TYR 202 0.840 43.310 -18.829 48.101 -99.200 -91.000 TYR 229 0.840 41.646 -13.261 48.976 -99.200 -91.000 TRP 233 1.040 29.888 -13.052 46.464 -99.200 -91.000 TRP6 233 1.020 29.841 -13.015 44.086 -99.200 -91.000 TYR 241 0.840 27.139 10.020 29.280 -99.200 -91.000 TYR 244 0.840 22.177 4.238 26.361 -99.200 -91.000 HIS 258 0.900 37.521 8.877 41.196 -99.200 -91.000 TYR 276 0.840 36.853 10.538 18.041 -99.200 -91.000 HIS 283 0.900 38.385 23.022 28.287 -99.200 -91.000 TYR 293 0.840 42.423 9.909 36.753 -99.200 -91.000 TYR 299 0.840 37.715 13.668 49.137 -99.200 -91.000 PHE 305 1.000 41.298 -2.599 56.512 -99.200 -91.000 TYR 318 0.840 32.133 16.758 43.548 -99.200 -91.000 PHE 323 1.000 28.916 21.804 31.831 -99.200 -91.000