============================================================================= 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. TYR 6 0.840 24.524 27.058 -9.320 -99.200 -91.000 PHE 7 1.000 32.235 25.013 -13.339 -99.200 -91.000 PHE 13 1.000 31.274 18.286 -7.359 -99.200 -91.000 TYR 23 0.840 24.371 16.242 -5.110 -99.200 -91.000 HIS 31 0.900 34.908 6.356 -9.787 -99.200 -91.000 TYR 55 0.840 42.134 7.833 -1.900 -99.200 -91.000 PHE 56 1.000 36.418 9.466 0.264 -99.200 -91.000 TYR 78 0.840 34.497 2.508 -4.704 -99.200 -91.000 HIS 97 0.900 35.700 18.540 -6.618 -99.200 -91.000 PHE 98 1.000 34.853 10.500 -9.222 -99.200 -91.000