============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 13 0.840 -5.722 -9.358 0.071 -99.200 -91.000 PHE 22 1.000 -1.659 -3.841 -5.336 -99.200 -91.000 HIS 27 0.900 3.843 -8.438 -3.496 -99.200 -91.000 HIS 31 0.900 -1.001 0.709 -5.472 -99.200 -91.000 HIS 32 0.900 -3.354 0.623 0.066 -99.200 -91.000 HIS 35 0.900 -2.318 5.492 -5.142 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eonA16 GLY 1 HA2 -0.00 -0.08 0.22 -0.51 4.01 3.63 2eonA16 GLY 1 HA3 -0.00 -0.04 0.15 -0.51 4.01 3.62 2eonA16 SER 2 H -0.00 0.19 0.11 -0.55 8.46 8.20 2eonA16 SER 2 HA -0.00 0.12 0.78 -0.75 4.49 4.63 2eonA16 SER 2 HB2 -0.00 -0.03 0.00 -0.04 3.95 3.88 2eonA16 SER 2 HB3 -0.00 0.00 -0.03 -0.04 3.93 3.86 2eonA16 SER 3 H -0.01 0.23 0.18 -0.55 8.46 8.32 2eonA16 SER 3 HA -0.01 0.18 0.75 -0.75 4.49 4.67 2eonA16 SER 3 HB2 -0.01 -0.01 -0.05 -0.04 3.95 3.85 2eonA16 SER 3 HB3 -0.01 -0.04 0.12 -0.04 3.93 3.96 2eonA16 GLY 4 H -0.01 0.27 0.19 -0.55 8.43 8.33 2eonA16 GLY 4 HA2 -0.01 0.07 0.45 -0.51 4.01 4.01 2eonA16 GLY 4 HA3 -0.01 0.09 0.28 -0.51 4.01 3.86 2eonA16 SER 5 H -0.01 0.18 0.11 -0.55 8.46 8.19 2eonA16 SER 5 HA -0.01 0.15 0.86 -0.75 4.49 4.74 2eonA16 SER 5 HB2 -0.01 0.04 0.00 -0.04 3.95 3.94 2eonA16 SER 5 HB3 -0.01 0.01 0.04 -0.04 3.93 3.93 2eonA16 SER 6 H -0.02 0.21 0.16 -0.55 8.46 8.27 2eonA16 SER 6 HA -0.03 0.11 0.69 -0.75 4.49 4.52 2eonA16 SER 6 HB2 -0.03 0.01 0.12 -0.04 3.95 4.02 2eonA16 SER 6 HB3 -0.04 0.03 0.00 -0.04 3.93 3.88 2eonA16 GLY 7 H -0.03 0.20 0.03 -0.55 8.43 8.08 2eonA16 GLY 7 HA2 -0.04 0.09 0.32 -0.51 4.01 3.87 2eonA16 GLY 7 HA3 -0.03 0.12 0.79 -0.51 4.01 4.38 2eonA16 THR 8 H -0.02 0.16 -0.06 -0.55 8.28 7.81 2eonA16 THR 8 HA -0.02 -0.00 0.30 -0.75 4.39 3.91 2eonA16 THR 8 HB -0.02 -0.00 0.01 -0.04 4.32 4.27 2eonA16 THR 8 HG23 -0.02 0.03 -0.14 -0.04 1.22 1.04 2eonA16 GLY 9 H -0.02 -0.06 -0.52 -0.55 8.43 7.28 2eonA16 GLY 9 HA2 -0.02 -0.08 0.30 -0.51 4.01 3.70 2eonA16 GLY 9 HA3 -0.03 0.24 0.85 -0.51 4.01 4.56 2eonA16 GLU 10 H -0.03 0.11 0.09 -0.55 8.60 8.23 2eonA16 GLU 10 HA -0.04 0.11 0.72 -0.75 4.29 4.32 2eonA16 GLU 10 HB2 -0.02 -0.03 0.10 -0.04 2.09 2.10 2eonA16 GLU 10 HB3 -0.02 0.13 -0.03 -0.04 1.99 2.02 2eonA16 GLU 10 HG2 -0.02 0.04 -0.04 -0.04 2.34 2.29 2eonA16 GLU 10 HG3 -0.02 -0.10 -0.04 -0.04 2.34 2.13 2eonA16 LYS 11 H -0.06 0.13 0.12 -0.55 8.42 8.06 2eonA16 LYS 11 HA -0.12 0.12 0.52 -0.75 4.32 4.08 2eonA16 LYS 11 HB2 -0.07 0.05 0.04 -0.04 1.87 1.84 2eonA16 LYS 11 HB3 -0.12 -0.05 -0.14 -0.04 1.79 1.44 2eonA16 LYS 11 HG2 -0.10 -0.13 0.00 -0.04 1.46 1.19 2eonA16 LYS 11 HG3 -0.08 0.12 -0.08 -0.04 1.46 1.38 2eonA16 LYS 11 HD2 -0.12 0.06 -0.08 -0.04 1.69 1.52 2eonA16 LYS 11 HD3 -0.12 -0.18 -0.36 -0.04 1.68 0.98 2eonA16 LYS 11 HE2 -0.08 0.15 -0.02 -0.04 2.99 3.00 2eonA16 LYS 11 HE3 -0.11 0.03 -0.02 -0.04 2.99 2.85 2eonA16 PRO 12 HA -0.02 0.10 0.39 -0.51 4.44 4.41 2eonA16 PRO 12 HB2 0.02 0.01 -0.03 -0.04 2.28 2.24 2eonA16 PRO 12 HB3 -0.07 0.03 0.10 -0.04 2.02 2.04 2eonA16 PRO 12 HG2 -1.54 0.00 0.10 -0.04 2.03 0.55 2eonA16 PRO 12 HG3 -0.42 0.06 0.12 -0.04 2.03 1.75 2eonA16 PRO 12 HD2 -0.36 -0.00 0.21 -0.04 3.68 3.49 2eonA16 PRO 12 HD3 -0.20 0.20 0.23 -0.04 3.65 3.85 2eonA16 TYR 13 H -0.39 0.10 -0.13 -0.55 8.29 7.32 2eonA16 TYR 13 HA 0.08 0.16 0.71 -0.75 4.56 4.76 2eonA16 TYR 13 HB2 0.16 0.02 0.01 -0.04 3.06 3.20 2eonA16 TYR 13 HB3 0.11 -0.02 -0.02 -0.04 2.98 3.01 2eonA16 TYR 13 HD2 0.06 0.21 -0.47 -0.04 7.15 6.90 2eonA16 TYR 13 HE2 0.02 -0.14 -0.14 -0.04 6.85 6.54 2eonA16 LYS 14 H 0.22 0.23 0.09 -0.55 8.42 8.40 2eonA16 LYS 14 HA 0.18 0.07 0.78 -0.75 4.32 4.59 2eonA16 LYS 14 HB2 0.06 0.00 -0.17 -0.04 1.87 1.72 2eonA16 LYS 14 HB3 0.09 -0.05 0.01 -0.04 1.79 1.79 2eonA16 LYS 14 HG2 0.09 0.09 -0.28 -0.04 1.46 1.32 2eonA16 LYS 14 HG3 0.03 0.12 -0.07 -0.04 1.46 1.50 2eonA16 LYS 14 HD2 0.04 -0.07 -0.04 -0.04 1.69 1.57 2eonA16 LYS 14 HD3 0.05 -0.01 -0.03 -0.04 1.68 1.64 2eonA16 LYS 14 HE2 0.02 -0.09 0.00 -0.04 2.99 2.88 2eonA16 LYS 14 HE3 0.03 0.03 0.05 -0.04 2.99 3.06 2eonA16 CYS 15 H 0.25 0.23 -0.14 -0.55 8.50 8.30 2eonA16 CYS 15 HA 0.27 0.08 0.34 -0.75 4.58 4.52 2eonA16 CYS 15 HB2 0.39 0.08 0.08 -0.04 2.97 3.48 2eonA16 CYS 15 HB3 0.24 -0.45 0.09 -0.04 2.97 2.82 2eonA16 GLN 16 H 0.16 -0.03 0.24 -0.55 8.47 8.30 2eonA16 GLN 16 HA 0.06 0.33 0.92 -0.75 4.36 4.91 2eonA16 GLN 16 HB2 0.05 -0.04 0.08 -0.04 2.15 2.20 2eonA16 GLN 16 HB3 0.04 0.06 0.06 -0.04 2.02 2.14 2eonA16 GLN 16 HG2 0.11 -0.08 -0.17 -0.04 2.40 2.22 2eonA16 GLN 16 HG3 0.06 -0.00 -0.00 -0.04 2.39 2.40 2eonA16 GLN 16 HE21 0.10 0.34 -0.21 -0.04 6.97 7.16 2eonA16 GLN 16 HE22 0.06 -0.05 -0.02 -0.04 7.69 7.64 2eonA16 VAL 17 H 0.03 -0.10 0.20 -0.55 8.24 7.83 2eonA16 VAL 17 HA -0.06 0.18 0.50 -0.75 4.13 4.00 2eonA16 VAL 17 HB -0.30 0.10 0.05 -0.04 2.12 1.93 2eonA16 VAL 17 HG13 -0.06 0.01 0.08 -0.04 0.97 0.97 2eonA16 VAL 17 HG23 -0.64 -0.06 0.09 -0.04 0.95 0.30 2eonA16 CYS 18 H -0.01 -0.21 -0.06 -0.55 8.50 7.68 2eonA16 CYS 18 HA 0.00 0.32 0.86 -0.75 4.58 5.00 2eonA16 CYS 18 HB2 0.13 0.08 -0.01 -0.04 2.97 3.13 2eonA16 CYS 18 HB3 0.07 0.06 -0.06 -0.04 2.97 3.00 2eonA16 GLY 19 H 0.10 -0.29 -0.24 -0.55 8.43 7.46 2eonA16 GLY 19 HA2 0.07 0.33 0.07 -0.51 4.01 3.97 2eonA16 GLY 19 HA3 0.04 0.22 0.64 -0.51 4.01 4.39 2eonA16 LYS 20 H 0.15 -0.21 -0.04 -0.55 8.42 7.77 2eonA16 LYS 20 HA -0.12 0.18 0.34 -0.75 4.32 3.97 2eonA16 LYS 20 HB2 0.14 -0.12 0.07 -0.04 1.87 1.92 2eonA16 LYS 20 HB3 -0.47 0.02 0.06 -0.04 1.79 1.35 2eonA16 LYS 20 HG2 0.01 0.03 -0.07 -0.04 1.46 1.39 2eonA16 LYS 20 HG3 -0.20 0.03 -0.01 -0.04 1.46 1.24 2eonA16 LYS 20 HD2 -0.59 -0.02 0.06 -0.04 1.69 1.10 2eonA16 LYS 20 HD3 -0.20 0.06 0.01 -0.04 1.68 1.51 2eonA16 LYS 20 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 2eonA16 LYS 20 HE3 -0.11 -0.01 -0.01 -0.04 2.99 2.82 2eonA16 ALA 21 H -0.72 0.22 0.17 -0.55 8.40 7.52 2eonA16 ALA 21 HA 0.03 0.22 0.79 -0.75 4.34 4.62 2eonA16 ALA 21 HB3 -0.13 0.04 -0.01 -0.04 1.41 1.27 2eonA16 PHE 22 H 0.25 0.54 0.04 -0.55 8.34 8.62 2eonA16 PHE 22 HA 0.00 0.11 0.79 -0.75 4.62 4.77 2eonA16 PHE 22 HB2 0.13 0.16 0.17 -0.04 3.15 3.56 2eonA16 PHE 22 HB3 0.10 -0.10 0.08 -0.04 3.06 3.10 2eonA16 PHE 22 HD2 0.04 0.01 -0.24 -0.04 7.28 7.05 2eonA16 PHE 22 HE2 -0.19 -0.03 -0.19 -0.04 7.38 6.94 2eonA16 PHE 22 HZ -1.59 0.03 -0.07 -0.04 7.32 5.64 2eonA16 ARG 23 H -0.01 0.23 0.11 -0.55 8.46 8.23 2eonA16 ARG 23 HA -0.28 0.03 0.40 -0.75 4.34 3.74 2eonA16 ARG 23 HB2 -0.10 0.03 0.07 -0.04 1.90 1.85 2eonA16 ARG 23 HB3 -0.10 0.08 0.13 -0.04 1.80 1.87 2eonA16 ARG 23 HG2 -0.03 0.06 0.09 -0.04 1.67 1.75 2eonA16 ARG 23 HG3 -0.02 -0.14 0.05 -0.04 1.67 1.51 2eonA16 ARG 23 HD2 -0.02 -0.02 -0.01 -0.04 3.22 3.13 2eonA16 ARG 23 HD3 -0.05 0.00 -0.03 -0.04 3.22 3.10 2eonA16 VAL 24 H 0.09 -0.08 -0.80 -0.55 8.24 6.90 2eonA16 VAL 24 HA 0.18 0.25 0.93 -0.75 4.13 4.73 2eonA16 VAL 24 HB -0.10 -0.06 0.10 -0.04 2.12 2.02 2eonA16 VAL 24 HG13 -0.18 0.02 -0.13 -0.04 0.97 0.64 2eonA16 VAL 24 HG23 -0.47 -0.02 -0.13 -0.04 0.95 0.28 2eonA16 SER 25 H 0.16 0.17 0.17 -0.55 8.46 8.41 2eonA16 SER 25 HA -0.04 0.19 0.55 -0.75 4.49 4.44 2eonA16 SER 25 HB2 -0.29 0.08 0.08 -0.04 3.95 3.78 2eonA16 SER 25 HB3 -0.04 -0.03 0.13 -0.04 3.93 3.96 2eonA16 SER 26 H 0.01 0.07 0.03 -0.55 8.46 8.02 2eonA16 SER 26 HA 0.02 0.13 0.36 -0.75 4.49 4.25 2eonA16 SER 26 HB2 0.07 -0.09 0.10 -0.04 3.95 3.99 2eonA16 SER 26 HB3 0.08 0.09 0.02 -0.04 3.93 4.09 2eonA16 HIS 27 H 0.10 0.06 -0.20 -0.55 8.41 7.82 2eonA16 HIS 27 HA -0.00 0.09 0.30 -0.75 4.63 4.27 2eonA16 HIS 27 HB2 0.16 -0.04 0.02 -0.04 3.26 3.36 2eonA16 HIS 27 HB3 0.20 0.09 -0.05 -0.04 3.20 3.40 2eonA16 HIS 27 HD2 0.12 0.03 0.01 -0.04 6.97 7.08 2eonA16 HIS 27 HE1 0.04 0.04 -0.01 -0.04 7.75 7.77 2eonA16 LEU 28 H -0.05 0.24 -0.32 -0.55 8.37 7.69 2eonA16 LEU 28 HA -2.03 -0.02 0.23 -0.75 4.35 1.78 2eonA16 LEU 28 HB2 -0.21 0.01 0.05 -0.04 1.64 1.46 2eonA16 LEU 28 HB3 -0.10 0.15 0.11 -0.04 1.64 1.76 2eonA16 LEU 28 HG -0.10 0.05 -0.31 -0.04 1.64 1.23 2eonA16 LEU 28 HD13 -0.53 -0.03 -0.10 -0.04 0.93 0.22 2eonA16 LEU 28 HD23 0.17 0.01 -0.13 -0.04 0.89 0.90 2eonA16 VAL 29 H -0.08 0.46 -0.47 -0.55 8.24 7.60 2eonA16 VAL 29 HA 0.15 0.00 0.43 -0.75 4.13 3.95 2eonA16 VAL 29 HB 0.00 0.16 0.23 -0.04 2.12 2.47 2eonA16 VAL 29 HG13 0.01 -0.02 -0.08 -0.04 0.97 0.85 2eonA16 VAL 29 HG23 0.01 -0.05 0.00 -0.04 0.95 0.87 2eonA16 GLN 30 H -0.03 0.48 0.07 -0.55 8.47 8.45 2eonA16 GLN 30 HA -0.02 0.03 0.35 -0.75 4.36 3.96 2eonA16 GLN 30 HB2 -0.02 0.08 0.10 -0.04 2.15 2.27 2eonA16 GLN 30 HB3 -0.02 -0.01 0.05 -0.04 2.02 2.00 2eonA16 GLN 30 HG2 0.02 0.08 0.01 -0.04 2.40 2.47 2eonA16 GLN 30 HG3 -0.00 -0.03 -0.00 -0.04 2.39 2.31 2eonA16 GLN 30 HE21 -0.00 0.01 -0.01 -0.04 6.97 6.92 2eonA16 GLN 30 HE22 -0.00 0.00 0.00 -0.04 7.69 7.65 2eonA16 HIS 31 H -0.13 0.39 -0.66 -0.55 8.41 7.47 2eonA16 HIS 31 HA -0.11 0.11 0.61 -0.75 4.63 4.49 2eonA16 HIS 31 HB2 0.01 -0.02 -0.00 -0.04 3.26 3.21 2eonA16 HIS 31 HB3 -0.64 0.10 0.04 -0.04 3.20 2.65 2eonA16 HIS 31 HD2 -0.43 0.08 -0.13 -0.04 6.97 6.44 2eonA16 HIS 31 HE1 0.25 0.03 -0.02 -0.04 7.75 7.97 2eonA16 HIS 32 H -0.13 0.51 -0.08 -0.55 8.41 8.16 2eonA16 HIS 32 HA -0.18 -0.07 0.46 -0.75 4.63 4.10 2eonA16 HIS 32 HB2 -0.08 0.24 0.28 -0.04 3.26 3.68 2eonA16 HIS 32 HB3 -0.04 -0.05 0.13 -0.04 3.20 3.19 2eonA16 HIS 32 HD2 -0.06 -0.04 -0.19 -0.04 6.97 6.63 2eonA16 HIS 32 HE1 0.09 -0.14 0.02 -0.04 7.75 7.68 2eonA16 SER 33 H -0.14 0.19 -0.97 -0.55 8.46 6.99 2eonA16 SER 33 HA -0.05 0.17 0.81 -0.75 4.49 4.66 2eonA16 SER 33 HB2 -0.05 0.15 0.01 -0.04 3.95 4.02 2eonA16 SER 33 HB3 -0.04 0.00 0.14 -0.04 3.93 3.99 2eonA16 VAL 34 H -0.42 0.48 -0.17 -0.55 8.24 7.58 2eonA16 VAL 34 HA -0.15 0.15 0.60 -0.75 4.13 3.98 2eonA16 VAL 34 HB -0.16 -0.02 0.12 -0.04 2.12 2.02 2eonA16 VAL 34 HG13 -0.14 -0.04 0.14 -0.04 0.97 0.89 2eonA16 VAL 34 HG23 -0.93 0.01 -0.08 -0.04 0.95 -0.09 2eonA16 HIS 35 H -0.38 0.12 -0.32 -0.55 8.41 7.29 2eonA16 HIS 35 HA -0.02 0.19 0.68 -0.75 4.63 4.74 2eonA16 HIS 35 HB2 -0.02 0.03 0.09 -0.04 3.26 3.33 2eonA16 HIS 35 HB3 -0.00 0.01 0.14 -0.04 3.20 3.30 2eonA16 HIS 35 HD2 -0.05 0.06 0.04 -0.04 6.97 6.97 2eonA16 HIS 35 HE1 0.15 -0.00 -0.06 -0.04 7.75 7.79 2eonA16 SER 36 H -0.03 0.31 -0.82 -0.55 8.46 7.37 2eonA16 SER 36 HA 0.02 0.04 0.56 -0.75 4.49 4.35 2eonA16 SER 36 HB2 0.02 0.09 -0.07 -0.04 3.95 3.95 2eonA16 SER 36 HB3 -0.00 -0.00 -0.07 -0.04 3.93 3.81 2eonA16 GLY 37 H 0.01 0.15 0.11 -0.55 8.43 8.15 2eonA16 GLY 37 HA2 -0.00 -0.01 0.30 -0.51 4.01 3.79 2eonA16 GLY 37 HA3 -0.01 0.26 0.82 -0.51 4.01 4.57 2eonA16 GLU 38 H -0.00 0.18 0.09 -0.55 8.60 8.31 2eonA16 GLU 38 HA 0.00 0.19 0.96 -0.75 4.29 4.70 2eonA16 GLU 38 HB2 0.00 -0.01 -0.00 -0.04 2.09 2.03 2eonA16 GLU 38 HB3 0.00 -0.01 0.20 -0.04 1.99 2.14 2eonA16 GLU 38 HG2 0.00 -0.02 -0.02 -0.04 2.34 2.26 2eonA16 GLU 38 HG3 0.00 0.03 -0.23 -0.04 2.34 2.10 2eonA16 ARG 39 H 0.00 0.28 0.05 -0.55 8.46 8.23 2eonA16 ARG 39 HA 0.00 0.20 0.88 -0.75 4.34 4.67 2eonA16 ARG 39 HB2 0.00 0.00 -0.06 -0.04 1.90 1.80 2eonA16 ARG 39 HB3 0.00 0.09 -0.04 -0.04 1.80 1.81 2eonA16 ARG 39 HG2 -0.00 0.02 -0.04 -0.04 1.67 1.60 2eonA16 ARG 39 HG3 -0.00 -0.11 -0.60 -0.04 1.67 0.92 2eonA16 ARG 39 HD2 -0.01 0.03 -0.14 -0.04 3.22 3.06 2eonA16 ARG 39 HD3 -0.01 0.01 -0.06 -0.04 3.22 3.12 2eonA16 PRO 40 HA 0.00 -0.01 0.45 -0.51 4.44 4.37 2eonA16 PRO 40 HB2 0.00 0.04 -0.07 -0.04 2.28 2.22 2eonA16 PRO 40 HB3 0.00 0.01 0.07 -0.04 2.02 2.05 2eonA16 PRO 40 HG2 0.00 0.06 0.12 -0.04 2.03 2.17 2eonA16 PRO 40 HG3 0.00 0.03 0.08 -0.04 2.03 2.09 2eonA16 PRO 40 HD2 0.00 0.11 0.22 -0.04 3.68 3.97 2eonA16 PRO 40 HD3 0.00 0.14 0.15 -0.04 3.65 3.91 2eonA16 SER 41 H 0.01 0.08 0.20 -0.55 8.46 8.20 2eonA16 SER 41 HA 0.01 0.12 0.51 -0.75 4.49 4.38 2eonA16 SER 41 HB2 0.01 -0.10 0.15 -0.04 3.95 3.96 2eonA16 SER 41 HB3 0.01 0.07 0.01 -0.04 3.93 3.98 2eonA16 GLY 42 H 0.01 0.04 0.04 -0.55 8.43 7.97 2eonA16 GLY 42 HA2 0.00 -0.05 0.28 -0.51 4.01 3.74 2eonA16 GLY 42 HA3 0.01 0.24 0.84 -0.51 4.01 4.58 2eonA16 PRO 43 HA 0.00 0.04 0.42 -0.51 4.44 4.39 2eonA16 PRO 43 HB2 0.01 -0.02 -0.10 -0.04 2.28 2.13 2eonA16 PRO 43 HB3 0.00 0.02 0.07 -0.04 2.02 2.07 2eonA16 PRO 43 HG2 0.01 0.02 0.02 -0.04 2.03 2.04 2eonA16 PRO 43 HG3 0.00 0.03 0.06 -0.04 2.03 2.08 2eonA16 PRO 43 HD2 0.01 0.51 0.26 -0.04 3.68 4.42 2eonA16 PRO 43 HD3 0.00 0.07 0.21 -0.04 3.65 3.89 2eonA16 SER 44 H 0.01 0.13 0.06 -0.55 8.46 8.11 2eonA16 SER 44 HA 0.01 0.20 0.89 -0.75 4.49 4.84 2eonA16 SER 44 HB2 0.01 -0.05 0.14 -0.04 3.95 4.01 2eonA16 SER 44 HB3 0.01 0.08 -0.01 -0.04 3.93 3.96 2eonA16 SER 45 H 0.01 0.22 -0.04 -0.55 8.46 8.10 2eonA16 SER 45 HA 0.01 -0.06 0.30 -0.75 4.49 3.98 2eonA16 SER 45 HB2 0.01 0.03 0.10 -0.04 3.95 4.05 2eonA16 SER 45 HB3 0.01 0.03 0.10 -0.04 3.93 4.03 2eonA16 GLY 46 H 0.00 0.04 0.13 -0.55 8.43 8.06 2eonA16 GLY 46 HA2 0.00 -0.01 0.22 -0.51 4.01 3.72 2eonA16 GLY 46 HA3 0.00 0.19 0.58 -0.51 4.01 4.27