============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 1 1.000 47.919 -40.065 99.982 -99.200 -91.000 HIS 4 0.900 53.416 -43.580 107.225 -99.200 -91.000 TYR 27 0.840 40.565 -43.838 118.070 -99.200 -91.000 TYR 45 0.840 43.699 -31.757 111.608 -99.200 -91.000 PHE 77 1.000 38.797 -39.452 109.748 -99.200 -91.000 HIS 82 0.900 35.746 -31.774 112.848 -99.200 -91.000 PHE 85 1.000 36.428 -31.467 120.390 -99.200 -91.000 PHE 117 1.000 29.282 -15.260 107.023 -99.200 -91.000 PHE 133 1.000 30.177 -9.319 106.618 -99.200 -91.000 PHE 136 1.000 28.913 -13.919 110.718 -99.200 -91.000 TYR 141 0.840 27.715 -15.310 115.094 -99.200 -91.000 TYR 161 0.840 39.285 -28.894 99.798 -99.200 -91.000