============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 3 0.900 -23.629 52.063 4.332 -99.200 -91.000 TYR 5 0.840 -15.865 55.707 2.092 -99.200 -91.000 PHE 12 1.000 -14.590 54.853 -13.126 -99.200 -91.000 PHE 14 1.000 -18.725 44.598 -10.117 -99.200 -91.000 TYR 15 0.840 -18.038 52.936 -17.403 -99.200 -91.000 TYR 25 0.840 -16.698 36.596 -22.705 -99.200 -91.000 TYR 28 0.840 -11.370 35.873 -28.448 -99.200 -91.000 TYR 32 0.840 -18.044 30.708 -32.750 -99.200 -91.000 TYR 36 0.840 -21.264 38.767 -22.373 -99.200 -91.000 TYR 39 0.840 -20.345 33.012 -24.350 -99.200 -91.000 PHE 61 1.000 -28.741 35.593 -11.786 -99.200 -91.000 TYR 79 0.840 -26.003 29.201 -33.478 -99.200 -91.000 PHE 108 1.000 -7.843 33.257 -16.304 -99.200 -91.000 PHE 111 1.000 -9.472 41.159 -19.972 -99.200 -91.000 PHE 128 1.000 -23.089 41.505 -4.793 -99.200 -91.000 PHE 133 1.000 -27.773 38.601 -7.168 -99.200 -91.000