============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 12 0.840 -8.352 22.137 46.536 -99.200 -91.000 TYR 15 0.840 -20.475 24.639 55.005 -99.200 -91.000 TYR 23 0.840 -23.172 24.096 67.438 -99.200 -91.000 PHE 28 1.000 -15.966 26.134 58.069 -99.200 -91.000 TYR 31 0.840 -4.006 19.290 50.686 -99.200 -91.000 PHE 45 1.000 -1.273 28.581 63.478 -99.200 -91.000 TYR 47 0.840 -6.976 26.353 63.315 -99.200 -91.000 TYR 57 0.840 -10.698 30.665 44.867 -99.200 -91.000 TRP 66 1.040 -5.697 43.810 44.912 -99.200 -91.000 TRP6 66 1.020 -5.276 41.853 43.660 -99.200 -91.000 HIS 76 0.900 -2.305 44.522 57.755 -99.200 -91.000 TYR 89 0.840 2.347 38.917 36.624 -99.200 -91.000 PHE 97 1.000 0.199 34.144 46.948 -99.200 -91.000 PHE 101 1.000 -1.458 24.368 49.712 -99.200 -91.000 TYR 110 0.840 -17.094 20.306 25.655 -99.200 -91.000 TYR 130 0.840 -13.957 29.845 24.710 -99.200 -91.000 PHE 141 1.000 -2.767 32.006 31.497 -99.200 -91.000 PHE 142 1.000 -7.757 31.462 29.680 -99.200 -91.000 TYR 150 0.840 -3.514 30.269 26.018 -99.200 -91.000 TRP 154 1.040 -10.007 39.072 28.560 -99.200 -91.000 TRP6 154 1.020 -11.168 38.373 30.497 -99.200 -91.000 PHE 156 1.000 -16.808 32.533 23.269 -99.200 -91.000 TYR 181 0.840 -19.229 27.329 30.298 -99.200 -91.000 TYR 192 0.840 -13.047 15.838 45.038 -99.200 -91.000 TYR 212 0.840 -4.298 25.266 44.291 -99.200 -91.000 TYR 222 0.840 1.847 34.652 62.791 -99.200 -91.000 HIS 240 0.900 1.925 10.586 48.163 -99.200 -91.000 TRP 246 1.040 -8.593 15.627 52.594 -99.200 -91.000 TRP6 246 1.020 -10.789 15.461 53.492 -99.200 -91.000 TRP 247 1.040 -7.581 15.465 44.424 -99.200 -91.000 TRP6 247 1.020 -6.959 17.016 46.109 -99.200 -91.000