============================================================================= 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. PHE 13 1.000 -16.878 -19.643 12.174 -99.200 -91.000 PHE 27 1.000 -13.681 -20.717 25.913 -99.200 -91.000 HIS 33 0.900 -10.833 -24.245 5.597 -99.200 -91.000 HIS 44 0.900 -13.674 -20.466 6.560 -99.200 -91.000 TRP 46 1.040 -13.992 -17.974 16.889 -99.200 -91.000 TRP6 46 1.020 -13.418 -16.825 18.882 -99.200 -91.000 TYR 70 0.840 -9.235 -11.137 3.561 -99.200 -91.000 HIS 81 0.900 -6.328 -11.357 15.708 -99.200 -91.000 PHE 95 1.000 -11.845 -15.124 25.038 -99.200 -91.000 TYR 106 0.840 -18.610 -9.464 25.071 -99.200 -91.000 PHE 108 1.000 -18.808 -18.128 17.079 -99.200 -91.000 PHE 109 1.000 -16.800 -10.569 14.012 -99.200 -91.000 HIS 113 0.900 -14.548 -16.369 3.350 -99.200 -91.000