============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 8 1.000 8.999 5.646 14.803 -99.200 -91.000 HIS 12 0.900 9.629 0.569 14.843 -99.200 -91.000 TYR 25 0.840 15.054 -4.710 4.837 -99.200 -91.000 PHE 46 1.000 13.770 -2.718 10.221 -99.200 -91.000 HIS 48 0.900 11.632 -0.420 3.326 -99.200 -91.000 TYR 73 0.840 -1.809 11.930 16.459 -99.200 -91.000 TYR 76 0.840 -4.934 12.556 6.977 -99.200 -91.000 TYR 92 0.840 20.909 -13.843 22.514 -99.200 -91.000 TYR 97 0.840 14.141 -11.455 13.442 -99.200 -91.000 HIS 105 0.900 -4.096 3.836 4.931 -99.200 -91.000 TYR 115 0.840 2.150 15.054 19.402 -99.200 -91.000 HIS 119 0.900 4.077 1.806 20.457 -99.200 -91.000 PHE 120 1.000 4.806 0.468 12.674 -99.200 -91.000