============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 20 0.900 -4.283 -16.749 -1.360 -99.200 -91.000 TYR 26 0.840 -17.583 -24.365 -20.848 -99.200 -91.000 TYR 27 0.840 -20.058 -31.449 -17.441 -99.200 -91.000 TYR 56 0.840 -19.160 -10.948 -18.143 -99.200 -91.000 TYR 71 0.840 -3.425 -21.198 -8.093 -99.200 -91.000 HIS 75 0.900 -0.759 -26.899 -13.375 -99.200 -91.000 TYR 79 0.840 -11.145 -32.024 -20.325 -99.200 -91.000 PHE 84 1.000 -9.163 -31.875 -7.127 -99.200 -91.000 PHE 85 1.000 -13.518 -37.604 -12.058 -99.200 -91.000 TYR 100 0.840 -38.089 -24.076 -13.865 -99.200 -91.000