============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 10 1.000 -101.808 -4.316 -28.283 -99.200 -91.000 TYR 17 0.840 -102.556 -13.669 -36.440 -99.200 -91.000 PHE 37 1.000 -116.443 -7.087 -36.374 -99.200 -91.000 TYR 39 0.840 -113.693 -2.378 -32.890 -99.200 -91.000 PHE 40 1.000 -105.520 -4.619 -31.946 -99.200 -91.000 HIS 46 0.900 -102.546 13.118 -32.305 -99.200 -91.000 PHE 72 1.000 -113.477 -15.482 -33.341 -99.200 -91.000 TYR 88 0.840 -116.553 -25.757 -17.342 -99.200 -91.000 TYR 89 0.840 -116.724 -21.651 -25.489 -99.200 -91.000 TYR 101 0.840 -106.797 -26.387 -21.304 -99.200 -91.000 TYR 103 0.840 -99.371 -28.411 -24.527 -99.200 -91.000 HIS 111 0.900 -113.622 -5.833 -14.508 -99.200 -91.000 TRP 120 1.040 -117.671 4.417 -14.864 -99.200 -91.000 TRP6 120 1.020 -115.698 5.494 -15.571 -99.200 -91.000 TYR 123 0.840 -122.626 12.837 -11.595 -99.200 -91.000 TYR 125 0.840 -116.643 13.229 -19.002 -99.200 -91.000 PHE 132 1.000 -116.990 6.110 -20.790 -99.200 -91.000 PHE 143 1.000 -114.443 22.541 -18.313 -99.200 -91.000 PHE 155 1.000 -101.836 -3.891 -10.428 -99.200 -91.000 TYR 156 0.840 -108.566 -2.915 -5.626 -99.200 -91.000 HIS 159 0.900 -99.116 -7.955 -3.413 -99.200 -91.000 PHE 169 1.000 -86.101 -10.471 -14.086 -99.200 -91.000 PHE 182 1.000 -95.144 13.925 -16.644 -99.200 -91.000 HIS 189 0.900 -100.107 24.151 -19.027 -99.200 -91.000 TYR 191 0.840 -108.364 21.744 -26.164 -99.200 -91.000 PHE 192 1.000 -108.897 22.879 -21.337 -99.200 -91.000 HIS 202 0.900 -109.305 27.215 -12.074 -99.200 -91.000 PHE 206 1.000 -107.820 11.173 -9.483 -99.200 -91.000 TYR 211 0.840 -98.050 11.560 -11.326 -99.200 -91.000 TYR 227 0.840 -98.049 17.249 -12.937 -99.200 -91.000 HIS 236 0.900 -97.836 13.230 -4.186 -99.200 -91.000 PHE 238 1.000 -108.758 11.888 -4.013 -99.200 -91.000 HIS 246 0.900 -120.590 20.860 -10.437 -99.200 -91.000 TYR 267 0.840 -105.308 -1.808 -15.394 -99.200 -91.000 PHE 286 1.000 -104.042 -9.226 -12.126 -99.200 -91.000 TYR 298 0.840 -103.382 -26.437 -12.200 -99.200 -91.000 TYR 302 0.840 -97.163 -22.301 -22.451 -99.200 -91.000 TYR 317 0.840 -93.085 -1.970 -23.489 -99.200 -91.000 HIS 329 0.900 -91.609 -23.512 -22.484 -99.200 -91.000 TYR 343 0.840 -91.040 -10.310 -18.568 -99.200 -91.000 TYR 344 0.840 -83.586 -8.507 -20.815 -99.200 -91.000 TYR 355 0.840 -86.775 17.724 -22.665 -99.200 -91.000