============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 -20.001 -49.218 -35.797 -99.200 -91.000 PHE 29 1.000 -22.842 -45.727 -40.729 -99.200 -91.000 TYR 32 0.840 -18.794 -45.857 -31.299 -99.200 -91.000 TYR 33 0.840 -17.406 -37.207 -35.115 -99.200 -91.000 TRP 36 1.040 -13.820 -41.488 -45.600 -99.200 -91.000 TRP6 36 1.020 -13.617 -43.375 -46.985 -99.200 -91.000 TRP 47 1.040 -8.172 -37.013 -40.401 -99.200 -91.000 TRP6 47 1.020 -9.358 -35.012 -40.292 -99.200 -91.000 TYR 59 0.840 -16.523 -31.234 -37.030 -99.200 -91.000 PHE 64 1.000 -7.141 -34.174 -49.070 -99.200 -91.000 TYR 80 0.840 -22.014 -44.028 -50.253 -99.200 -91.000 TYR 93 0.840 -7.686 -41.754 -51.935 -99.200 -91.000 PHE 94 1.000 -5.159 -47.349 -45.662 -99.200 -91.000 TYR 100 0.840 -17.450 -38.463 -28.632 -99.200 -91.000 PHE 102 1.000 -12.144 -39.742 -18.462 -99.200 -91.000 TYR 110 0.840 -12.726 -52.255 -34.120 -99.200 -91.000 TRP 111 1.040 -7.379 -48.366 -38.979 -99.200 -91.000 TRP6 111 1.020 -6.513 -46.488 -40.081 -99.200 -91.000 TYR 130 0.840 7.788 -62.392 -71.621 -99.200 -91.000 TYR 153 0.840 1.921 -55.459 -63.707 -99.200 -91.000 PHE 154 1.000 -1.392 -48.045 -65.571 -99.200 -91.000 TRP 162 1.040 6.781 -68.635 -57.147 -99.200 -91.000 TRP6 162 1.020 7.971 -68.813 -59.152 -99.200 -91.000 HIS 172 0.900 13.066 -63.777 -51.199 -99.200 -91.000 PHE 174 1.000 12.872 -59.149 -55.649 -99.200 -91.000 TYR 183 0.840 2.690 -49.882 -62.179 -99.200 -91.000 TRP 196 1.040 12.859 -76.746 -62.718 -99.200 -91.000 TRP6 196 1.020 14.689 -75.947 -63.967 -99.200 -91.000 HIS 207 0.900 -3.724 -56.945 -64.556 -99.200 -91.000