============================================================================= 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 5 0.900 -27.332 -2.982 38.522 -99.200 -91.000 PHE 6 1.000 -19.427 0.064 32.589 -99.200 -91.000 PHE 27 1.000 -7.302 -20.681 39.754 -99.200 -91.000 PHE 42 1.000 -0.361 -19.566 43.681 -99.200 -91.000 PHE 52 1.000 -8.885 -5.696 40.330 -99.200 -91.000 PHE 67 1.000 -8.184 -7.083 49.664 -99.200 -91.000 PHE 88 1.000 2.365 -10.017 25.366 -99.200 -91.000 PHE 93 1.000 -2.947 -4.257 39.268 -99.200 -91.000 PHE 108 1.000 -3.269 -15.233 26.717 -99.200 -91.000 PHE 113 1.000 -10.863 -17.698 37.232 -99.200 -91.000 TYR 117 0.840 -13.020 -20.024 40.764 -99.200 -91.000 PHE 145 1.000 -15.929 -11.758 51.325 -99.200 -91.000 TYR 158 0.840 -10.896 -3.839 48.450 -99.200 -91.000