============================================================================= 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 32 0.840 -10.373 32.026 43.891 -99.200 -91.000 TYR 34 0.840 -3.932 32.924 38.799 -99.200 -91.000 TRP 35 1.040 -6.515 36.467 31.054 -99.200 -91.000 TRP6 35 1.020 -7.197 35.919 28.854 -99.200 -91.000 TYR 36 0.840 -1.454 30.140 33.559 -99.200 -91.000 TRP 47 1.040 1.532 38.014 29.782 -99.200 -91.000 TRP6 47 1.020 3.843 37.531 29.712 -99.200 -91.000 TYR 49 0.840 -1.299 38.315 40.596 -99.200 -91.000 PHE 62 1.000 1.122 41.631 27.130 -99.200 -91.000 TYR 71 0.840 -13.714 37.020 34.582 -99.200 -91.000 TYR 86 0.840 -0.951 36.439 24.790 -99.200 -91.000 PHE 87 1.000 -3.389 28.009 25.686 -99.200 -91.000 TRP 91 1.040 -7.154 29.398 40.367 -99.200 -91.000 TRP6 91 1.020 -6.590 29.381 42.666 -99.200 -91.000 PHE 94 1.000 -10.789 21.489 42.970 -99.200 -91.000 TYR 96 0.840 -8.369 24.082 40.395 -99.200 -91.000 PHE 98 1.000 -5.192 25.240 32.015 -99.200 -91.000 PHE 118 1.000 17.788 21.428 -1.703 -99.200 -91.000 PHE 135 1.000 14.474 22.460 2.637 -99.200 -91.000 PHE 139 1.000 6.240 31.206 3.013 -99.200 -91.000 TYR 140 0.840 3.073 38.342 7.146 -99.200 -91.000 TRP 148 1.040 5.571 19.033 -5.109 -99.200 -91.000 TRP6 148 1.020 7.913 18.877 -5.357 -99.200 -91.000 TRP 163 1.040 3.140 26.816 6.173 -99.200 -91.000 TRP6 163 1.020 1.878 25.183 5.026 -99.200 -91.000 TYR 173 0.840 3.999 32.536 9.093 -99.200 -91.000 TYR 186 0.840 14.085 10.795 -9.405 -99.200 -91.000 HIS 189 0.900 6.875 10.217 -15.196 -99.200 -91.000 TYR 192 0.840 11.013 14.282 -11.195 -99.200 -91.000 HIS 198 0.900 3.800 35.282 -0.679 -99.200 -91.000 PHE 209 1.000 15.331 17.613 -9.854 -99.200 -91.000