============================================================================= 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. PHE 8 1.000 -17.548 26.460 193.850 -99.200 -91.000 PHE 16 1.000 -22.995 26.622 191.245 -99.200 -91.000 HIS 20 0.900 -27.661 28.532 189.840 -99.200 -91.000 HIS 40 0.900 -14.783 37.347 198.693 -99.200 -91.000 TYR 44 0.840 -17.591 40.457 195.281 -99.200 -91.000 TYR 48 0.840 -14.693 33.706 182.905 -99.200 -91.000 HIS 49 0.900 -15.037 41.581 185.502 -99.200 -91.000 PHE 51 1.000 -24.018 33.192 190.635 -99.200 -91.000 TYR 57 0.840 -20.723 32.532 204.541 -99.200 -91.000 TYR 61 0.840 -27.324 22.824 203.692 -99.200 -91.000 TYR 63 0.840 -28.256 28.567 202.479 -99.200 -91.000 TRP 82 1.040 -19.311 12.200 195.994 -99.200 -91.000 TRP6 82 1.020 -19.285 14.507 195.491 -99.200 -91.000 PHE 97 1.000 -8.294 13.346 194.953 -99.200 -91.000 HIS 106 0.900 -14.981 11.758 193.613 -99.200 -91.000 HIS 133 0.900 -20.838 14.193 170.429 -99.200 -91.000 TYR 136 0.840 -21.510 8.089 178.337 -99.200 -91.000 HIS 141 0.900 -17.360 4.099 177.300 -99.200 -91.000 HIS 142 0.900 -19.937 2.487 184.409 -99.200 -91.000 PHE 164 1.000 -8.166 20.670 153.055 -99.200 -91.000 HIS 175 0.900 -3.045 27.343 178.378 -99.200 -91.000 TYR 177 0.840 -0.978 34.639 184.569 -99.200 -91.000 HIS 188 0.900 5.683 23.537 189.179 -99.200 -91.000 PHE 223 1.000 -1.571 17.347 166.613 -99.200 -91.000 TYR 271 0.840 -13.938 30.914 158.836 -99.200 -91.000 HIS 286 0.900 -18.267 28.857 169.373 -99.200 -91.000 PHE 305 1.000 -1.284 31.159 164.118 -99.200 -91.000 TRP 307 1.040 -7.871 33.746 168.595 -99.200 -91.000 TRP6 307 1.020 -6.326 34.890 169.948 -99.200 -91.000 TYR 308 0.840 -6.963 26.721 173.774 -99.200 -91.000 TRP 312 1.040 -17.873 30.914 179.570 -99.200 -91.000 TRP6 312 1.020 -18.641 31.144 181.789 -99.200 -91.000 TYR 314 0.840 -11.820 21.236 180.051 -99.200 -91.000