============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 33 1.000 40.650 18.245 19.396 -99.200 -91.000 HIS 41 0.900 49.987 18.165 15.276 -99.200 -91.000 HIS 49 0.900 54.188 25.851 4.492 -99.200 -91.000 TYR 55 0.840 50.049 40.531 -0.247 -99.200 -91.000 TYR 66 0.840 38.327 17.204 23.194 -99.200 -91.000 PHE 81 1.000 31.495 8.147 15.195 -99.200 -91.000 HIS 101 0.900 37.551 17.788 26.974 -99.200 -91.000 PHE 110 1.000 28.860 33.174 18.137 -99.200 -91.000 HIS 126 0.900 21.920 26.328 25.007 -99.200 -91.000 HIS 128 0.900 25.238 17.222 26.138 -99.200 -91.000 TYR 150 0.840 25.622 30.586 -8.533 -99.200 -91.000 TYR 151 0.840 20.984 26.147 -7.522 -99.200 -91.000 HIS 166 0.900 14.871 36.097 5.033 -99.200 -91.000 HIS 171 0.900 21.559 22.323 6.527 -99.200 -91.000 TYR 181 0.840 8.938 36.650 4.686 -99.200 -91.000 PHE 191 1.000 13.267 41.270 -10.940 -99.200 -91.000 PHE 206 1.000 10.873 28.093 -4.592 -99.200 -91.000 HIS 220 0.900 29.992 9.296 -9.039 -99.200 -91.000 TYR 224 0.840 35.335 20.032 0.132 -99.200 -91.000 TYR 238 0.840 31.535 36.430 18.507 -99.200 -91.000 TYR 256 0.840 9.517 31.784 13.394 -99.200 -91.000 HIS 258 0.900 7.273 25.299 16.780 -99.200 -91.000 PHE 262 1.000 19.730 25.981 20.172 -99.200 -91.000 PHE 290 1.000 9.974 27.761 12.208 -99.200 -91.000