============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. HIS 13 0.900 26.568 43.446 -0.420 -99.200 -91.000 PHE 29 1.000 27.256 30.812 -0.125 -99.200 -91.000 TYR 31 0.840 38.298 32.463 -5.389 -99.200 -91.000 TYR 40 0.840 24.520 16.024 -4.716 -99.200 -91.000 TYR 51 0.840 22.795 37.836 -6.516 -99.200 -91.000 PHE 58 1.000 21.987 35.466 7.210 -99.200 -91.000 TRP 71 1.040 20.242 19.816 21.866 -99.200 -91.000 TRP6 71 1.020 19.497 22.044 21.709 -99.200 -91.000 TRP 75 1.040 16.141 22.913 17.632 -99.200 -91.000 TRP6 75 1.020 14.394 21.696 18.631 -99.200 -91.000 PHE 81 1.000 24.399 19.946 6.053 -99.200 -91.000 TYR 86 0.840 26.563 25.215 8.752 -99.200 -91.000 TYR 109 0.840 14.395 22.947 -0.396 -99.200 -91.000