============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 7 0.840 -30.468 -14.021 -17.029 -99.200 -91.000 TYR 16 0.840 -34.153 -13.726 0.496 -99.200 -91.000 PHE 22 1.000 -23.333 -14.731 5.940 -99.200 -91.000 TYR 37 0.840 -23.102 -0.494 18.771 -99.200 -91.000 TYR 40 0.840 -14.963 5.104 18.598 -99.200 -91.000 HIS 47 0.900 -20.993 12.519 22.592 -99.200 -91.000 HIS 50 0.900 -27.188 13.331 17.867 -99.200 -91.000 HIS 54 0.900 -28.430 7.669 14.830 -99.200 -91.000 HIS 56 0.900 -29.715 16.599 11.813 -99.200 -91.000 TRP 57 1.040 -33.047 11.963 6.723 -99.200 -91.000 TRP6 57 1.020 -31.460 11.009 5.256 -99.200 -91.000 PHE 58 1.000 -30.066 18.769 5.205 -99.200 -91.000 PHE 81 1.000 -43.164 7.576 -20.655 -99.200 -91.000 TYR 85 0.840 -40.711 -0.762 -12.198 -99.200 -91.000 TYR 87 0.840 -39.540 -6.391 -12.859 -99.200 -91.000