============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 1 0.900 -10.098 23.854 37.307 -99.200 -91.000 HIS 3 0.900 -4.016 32.361 38.531 -99.200 -91.000 TYR 33 0.840 2.665 16.009 51.614 -99.200 -91.000 TYR 42 0.840 -3.647 9.039 59.244 -99.200 -91.000 PHE 53 1.000 -7.249 10.821 63.351 -99.200 -91.000 PHE 55 1.000 -14.567 12.824 54.490 -99.200 -91.000 PHE 60 1.000 -4.170 23.185 55.543 -99.200 -91.000 PHE 64 1.000 -4.029 26.090 50.806 -99.200 -91.000 HIS 97 0.900 -9.171 1.863 43.056 -99.200 -91.000 TYR 126 0.840 -2.970 -2.070 46.837 -99.200 -91.000 HIS 131 0.900 -9.755 -11.014 42.449 -99.200 -91.000 TYR 136 0.840 -11.675 -15.452 34.836 -99.200 -91.000 HIS 140 0.900 -0.470 -15.443 46.597 -99.200 -91.000 HIS 142 0.900 3.257 -10.541 54.926 -99.200 -91.000 TYR 160 0.840 16.028 -3.145 63.002 -99.200 -91.000 HIS 186 0.900 6.546 5.950 55.389 -99.200 -91.000 TYR 187 0.840 5.938 -0.815 52.477 -99.200 -91.000 TYR 193 0.840 18.006 -2.157 52.301 -99.200 -91.000 HIS 221 0.900 -11.575 11.999 30.068 -99.200 -91.000 HIS 233 0.900 5.558 22.234 43.451 -99.200 -91.000 PHE 235 1.000 5.993 19.894 49.833 -99.200 -91.000 PHE 236 1.000 0.389 24.686 54.096 -99.200 -91.000 PHE 244 1.000 6.721 17.299 55.989 -99.200 -91.000 HIS 246 0.900 17.388 16.061 59.518 -99.200 -91.000 TRP 251 1.040 12.814 10.403 53.228 -99.200 -91.000 TRP6 251 1.020 10.622 9.515 53.286 -99.200 -91.000 TYR 254 0.840 13.860 19.512 46.157 -99.200 -91.000