============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 4 1.000 19.339 13.999 53.229 -99.200 -91.000 TYR 5 0.840 25.436 7.326 51.523 -99.200 -91.000 PHE 14 1.000 26.210 12.829 42.612 -99.200 -91.000 TYR 20 0.840 17.646 7.156 46.423 -99.200 -91.000 TYR 38 0.840 19.548 -2.320 45.742 -99.200 -91.000 PHE 55 1.000 20.242 28.410 44.353 -99.200 -91.000 HIS 60 0.900 23.375 25.760 34.768 -99.200 -91.000 TYR 65 0.840 9.362 26.393 38.376 -99.200 -91.000 HIS 76 0.900 4.074 8.466 25.984 -99.200 -91.000 PHE 86 1.000 17.969 13.114 47.490 -99.200 -91.000 PHE 95 1.000 17.326 24.587 46.978 -99.200 -91.000 TYR 99 0.840 22.003 15.441 45.590 -99.200 -91.000 HIS 119 0.900 15.536 -2.322 7.586 -99.200 -91.000 TYR 124 0.840 9.468 -0.763 20.382 -99.200 -91.000 TYR 127 0.840 5.176 3.395 18.036 -99.200 -91.000 HIS 135 0.900 1.817 12.259 26.462 -99.200 -91.000 HIS 137 0.900 5.581 17.981 18.820 -99.200 -91.000 HIS 143 0.900 13.626 18.234 23.418 -99.200 -91.000 PHE 164 1.000 10.534 17.168 30.245 -99.200 -91.000 PHE 168 1.000 28.464 34.437 28.907 -99.200 -91.000 TYR 173 0.840 28.052 20.513 28.635 -99.200 -91.000 TYR 178 0.840 27.794 18.368 16.497 -99.200 -91.000 TYR 179 0.840 22.383 15.072 16.964 -99.200 -91.000 TYR 190 0.840 9.709 27.224 17.681 -99.200 -91.000 TRP 197 1.040 17.113 19.139 10.974 -99.200 -91.000 TRP6 197 1.020 17.389 19.386 8.638 -99.200 -91.000 HIS 209 0.900 26.298 2.502 12.170 -99.200 -91.000 PHE 213 1.000 22.613 17.496 8.170 -99.200 -91.000 TYR 218 0.840 22.940 27.763 15.620 -99.200 -91.000 TRP 222 1.040 22.739 27.539 5.503 -99.200 -91.000 TRP6 222 1.020 20.565 26.603 5.569 -99.200 -91.000 PHE 236 1.000 14.235 27.794 4.056 -99.200 -91.000 TYR 247 0.840 24.259 32.957 6.487 -99.200 -91.000 TYR 254 0.840 27.635 23.976 -1.142 -99.200 -91.000 TYR 257 0.840 26.577 14.582 -2.180 -99.200 -91.000 PHE 259 1.000 16.990 12.534 1.594 -99.200 -91.000 PHE 263 1.000 20.824 9.013 5.006 -99.200 -91.000 PHE 268 1.000 18.925 2.081 5.098 -99.200 -91.000 HIS 274 0.900 10.824 -7.925 6.529 -99.200 -91.000 HIS 306 0.900 7.383 6.158 5.860 -99.200 -91.000 TYR 308 0.840 12.143 1.770 8.808 -99.200 -91.000 TRP 312 1.040 7.518 -0.984 15.479 -99.200 -91.000 TRP6 312 1.020 7.849 -3.121 16.431 -99.200 -91.000 TYR 313 0.840 -0.830 5.046 15.470 -99.200 -91.000 HIS 330 0.900 10.368 34.518 38.390 -99.200 -91.000 TRP 335 1.040 14.933 31.994 37.860 -99.200 -91.000 TRP6 335 1.020 13.207 30.638 36.974 -99.200 -91.000 TYR 340 0.840 13.504 24.874 50.358 -99.200 -91.000