============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 1 0.840 16.279 37.064 36.076 -99.200 -91.000 TYR 2 0.840 22.917 36.850 33.653 -99.200 -91.000 TYR 4 0.840 19.303 30.293 29.137 -99.200 -91.000 PHE 6 1.000 24.103 31.669 25.627 -99.200 -91.000 PHE 25 1.000 26.277 42.902 19.933 -99.200 -91.000 PHE 30 1.000 35.728 52.852 13.977 -99.200 -91.000 PHE 39 1.000 34.654 42.352 31.692 -99.200 -91.000 TRP 57 1.040 35.726 37.592 27.882 -99.200 -91.000 TRP6 57 1.020 36.925 38.263 29.815 -99.200 -91.000 TYR 67 0.840 40.918 35.244 25.016 -99.200 -91.000 TYR 68 0.840 41.053 30.088 22.551 -99.200 -91.000 TYR 78 0.840 38.768 37.637 6.190 -99.200 -91.000 PHE 86 1.000 41.018 34.084 3.519 -99.200 -91.000 TRP 92 1.040 44.838 34.168 14.388 -99.200 -91.000 TRP6 92 1.020 45.971 34.367 16.446 -99.200 -91.000 HIS 117 0.900 40.308 52.812 -1.281 -99.200 -91.000 TYR 129 0.840 39.726 28.642 5.888 -99.200 -91.000 PHE 137 1.000 32.832 35.381 4.369 -99.200 -91.000 PHE 152 1.000 29.615 40.751 18.116 -99.200 -91.000 HIS 153 0.900 21.371 40.861 17.767 -99.200 -91.000 TYR 160 0.840 17.600 29.798 23.641 -99.200 -91.000