============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 33 1.000 40.698 18.362 19.099 -99.200 -91.000 HIS 41 0.900 50.244 18.546 15.237 -99.200 -91.000 HIS 49 0.900 54.248 26.188 4.379 -99.200 -91.000 TYR 55 0.840 49.777 40.939 -0.461 -99.200 -91.000 TYR 66 0.840 38.449 17.046 22.744 -99.200 -91.000 PHE 81 1.000 31.263 8.172 14.948 -99.200 -91.000 HIS 102 0.900 37.461 17.950 26.576 -99.200 -91.000 PHE 111 1.000 28.993 33.550 17.984 -99.200 -91.000 HIS 127 0.900 22.034 26.622 25.075 -99.200 -91.000 HIS 129 0.900 25.131 17.470 27.008 -99.200 -91.000 TYR 151 0.840 25.676 30.920 -8.607 -99.200 -91.000 TYR 152 0.840 21.137 26.467 -7.451 -99.200 -91.000 HIS 167 0.900 14.896 36.494 4.866 -99.200 -91.000 HIS 172 0.900 21.839 22.769 6.650 -99.200 -91.000 TYR 182 0.840 9.084 36.926 4.763 -99.200 -91.000 PHE 192 1.000 13.252 41.484 -10.900 -99.200 -91.000 PHE 207 1.000 11.077 28.389 -3.673 -99.200 -91.000 HIS 221 0.900 30.124 9.391 -8.642 -99.200 -91.000 TYR 225 0.840 35.413 19.810 0.142 -99.200 -91.000 TYR 239 0.840 31.704 36.782 18.606 -99.200 -91.000 TYR 257 0.840 9.662 32.128 13.327 -99.200 -91.000 HIS 259 0.900 7.412 25.353 17.167 -99.200 -91.000 PHE 263 1.000 19.863 26.280 20.136 -99.200 -91.000 PHE 291 1.000 9.983 28.065 12.343 -99.200 -91.000 HIS 306 0.900 18.151 13.574 24.366 -99.200 -91.000