============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TYR 27 0.840 24.014 15.209 9.867 -99.200 -91.000 TYR 48 0.840 35.786 26.193 -12.920 -99.200 -91.000 TYR 53 0.840 38.624 31.634 -13.439 -99.200 -91.000 PHE 94 1.000 32.193 31.535 5.342 -99.200 -91.000 HIS 117 0.900 6.651 15.982 8.638 -99.200 -91.000