============================================================================= 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 -6.298 -2.601 -0.333 -99.200 -91.000 PHE 22 1.000 0.122 -1.611 5.259 -99.200 -91.000 HIS 24 0.900 -9.414 2.216 4.417 -99.200 -91.000 HIS 25 0.900 -5.864 2.330 -2.539 -99.200 -91.000 HIS 31 0.900 4.524 0.982 5.488 -99.200 -91.000 HIS 35 0.900 8.953 1.350 3.053 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2enhA12 GLY 1 HA2 -0.00 -0.05 0.17 -0.51 4.01 3.62 2enhA12 GLY 1 HA3 -0.01 -0.04 0.14 -0.51 4.01 3.59 2enhA12 SER 2 H -0.01 0.19 0.12 -0.55 8.46 8.21 2enhA12 SER 2 HA -0.01 0.09 0.53 -0.75 4.49 4.35 2enhA12 SER 2 HB2 -0.00 0.18 -0.11 -0.04 3.95 3.97 2enhA12 SER 2 HB3 -0.00 -0.07 -0.08 -0.04 3.93 3.73 2enhA12 SER 3 H -0.01 0.28 0.19 -0.55 8.46 8.37 2enhA12 SER 3 HA -0.01 0.14 0.62 -0.75 4.49 4.49 2enhA12 SER 3 HB2 -0.01 -0.11 0.12 -0.04 3.95 3.91 2enhA12 SER 3 HB3 -0.01 0.07 -0.21 -0.04 3.93 3.73 2enhA12 GLY 4 H -0.01 0.07 0.04 -0.55 8.43 7.99 2enhA12 GLY 4 HA2 -0.00 0.00 0.36 -0.51 4.01 3.86 2enhA12 GLY 4 HA3 -0.00 0.23 0.87 -0.51 4.01 4.59 2enhA12 SER 5 H -0.00 0.08 0.16 -0.55 8.46 8.15 2enhA12 SER 5 HA -0.00 0.10 0.53 -0.75 4.49 4.36 2enhA12 SER 5 HB2 0.00 0.05 0.07 -0.04 3.95 4.03 2enhA12 SER 5 HB3 0.00 -0.02 0.10 -0.04 3.93 3.98 2enhA12 SER 6 H -0.00 0.14 0.09 -0.55 8.46 8.13 2enhA12 SER 6 HA -0.00 0.22 0.88 -0.75 4.49 4.83 2enhA12 SER 6 HB2 -0.00 -0.01 0.20 -0.04 3.95 4.09 2enhA12 SER 6 HB3 -0.00 0.08 -0.00 -0.04 3.93 3.96 2enhA12 GLY 7 H 0.00 0.28 -0.24 -0.55 8.43 7.93 2enhA12 GLY 7 HA2 0.00 0.02 0.25 -0.51 4.01 3.78 2enhA12 GLY 7 HA3 0.00 0.14 0.68 -0.51 4.01 4.31 2enhA12 THR 8 H 0.00 0.15 0.13 -0.55 8.28 8.01 2enhA12 THR 8 HA 0.01 0.01 0.34 -0.75 4.39 3.99 2enhA12 THR 8 HB 0.00 0.13 -0.02 -0.04 4.32 4.39 2enhA12 THR 8 HG23 0.00 -0.00 0.11 -0.04 1.22 1.30 2enhA12 GLY 9 H 0.01 -0.05 -0.39 -0.55 8.43 7.46 2enhA12 GLY 9 HA2 0.02 -0.05 0.30 -0.51 4.01 3.77 2enhA12 GLY 9 HA3 0.02 0.26 0.85 -0.51 4.01 4.63 2enhA12 GLU 10 H 0.04 0.18 0.12 -0.55 8.60 8.39 2enhA12 GLU 10 HA 0.03 0.20 0.95 -0.75 4.29 4.72 2enhA12 GLU 10 HB2 0.02 0.03 0.03 -0.04 2.09 2.14 2enhA12 GLU 10 HB3 0.02 0.00 -0.05 -0.04 1.99 1.92 2enhA12 GLU 10 HG2 0.05 -0.04 0.16 -0.04 2.34 2.47 2enhA12 GLU 10 HG3 0.14 -0.01 0.04 -0.04 2.34 2.46 2enhA12 LYS 11 H 0.03 0.20 0.05 -0.55 8.42 8.14 2enhA12 LYS 11 HA 0.19 0.23 1.00 -0.75 4.32 5.00 2enhA12 LYS 11 HB2 0.07 0.04 0.25 -0.04 1.87 2.20 2enhA12 LYS 11 HB3 0.06 0.00 -0.06 -0.04 1.79 1.75 2enhA12 LYS 11 HG2 0.03 -0.01 -0.00 -0.04 1.46 1.43 2enhA12 LYS 11 HG3 0.02 0.03 0.05 -0.04 1.46 1.53 2enhA12 LYS 11 HD2 0.01 0.02 -0.04 -0.04 1.69 1.64 2enhA12 LYS 11 HD3 0.01 -0.08 0.01 -0.04 1.68 1.58 2enhA12 LYS 11 HE2 0.00 -0.04 0.01 -0.04 2.99 2.92 2enhA12 LYS 11 HE3 0.01 0.05 0.05 -0.04 2.99 3.07 2enhA12 PRO 12 HA -0.08 0.13 0.38 -0.51 4.44 4.36 2enhA12 PRO 12 HB2 -0.34 0.03 0.05 -0.04 2.28 1.98 2enhA12 PRO 12 HB3 -0.14 0.04 0.09 -0.04 2.02 1.96 2enhA12 PRO 12 HG2 -0.80 0.00 -0.11 -0.04 2.03 1.08 2enhA12 PRO 12 HG3 -0.17 0.03 -0.02 -0.04 2.03 1.83 2enhA12 PRO 12 HD2 0.14 0.24 -0.41 -0.04 3.68 3.61 2enhA12 PRO 12 HD3 -0.00 -0.04 -0.13 -0.04 3.65 3.43 2enhA12 TYR 13 H 0.16 0.02 -0.81 -0.55 8.29 7.12 2enhA12 TYR 13 HA 0.01 0.17 0.78 -0.75 4.56 4.76 2enhA12 TYR 13 HB2 0.13 -0.04 -0.12 -0.04 3.06 3.00 2enhA12 TYR 13 HB3 0.01 0.01 -0.10 -0.04 2.98 2.87 2enhA12 TYR 13 HD2 -0.09 0.11 -0.09 -0.04 7.15 7.05 2enhA12 TYR 13 HE2 -0.05 0.07 -0.05 -0.04 6.85 6.78 2enhA12 GLU 14 H 0.14 0.22 0.16 -0.55 8.60 8.58 2enhA12 GLU 14 HA 0.24 0.29 0.71 -0.75 4.29 4.78 2enhA12 GLU 14 HB2 0.07 0.07 -0.21 -0.04 2.09 1.98 2enhA12 GLU 14 HB3 0.06 -0.04 -0.04 -0.04 1.99 1.93 2enhA12 GLU 14 HG2 0.08 0.14 -0.11 -0.04 2.34 2.40 2enhA12 GLU 14 HG3 0.06 0.22 -0.15 -0.04 2.34 2.44 2enhA12 CYS 15 H 0.23 0.38 0.10 -0.55 8.50 8.67 2enhA12 CYS 15 HA 0.18 0.16 0.50 -0.75 4.58 4.67 2enhA12 CYS 15 HB2 0.41 0.12 0.11 -0.04 2.97 3.57 2enhA12 CYS 15 HB3 0.21 -0.28 0.11 -0.04 2.97 2.97 2enhA12 ASP 16 H 0.09 -0.00 0.24 -0.55 8.40 8.18 2enhA12 ASP 16 HA 0.02 0.31 0.91 -0.75 4.63 5.12 2enhA12 ASP 16 HB2 0.01 0.00 0.05 -0.04 2.71 2.73 2enhA12 ASP 16 HB3 0.00 0.06 0.09 -0.04 2.70 2.81 2enhA12 VAL 17 H -0.05 -0.18 0.21 -0.55 8.24 7.67 2enhA12 VAL 17 HA -0.13 0.27 0.74 -0.75 4.13 4.26 2enhA12 VAL 17 HB -1.17 -0.12 0.14 -0.04 2.12 0.93 2enhA12 VAL 17 HG13 -0.39 0.03 -0.06 -0.04 0.97 0.51 2enhA12 VAL 17 HG23 -0.26 0.02 0.01 -0.04 0.95 0.68 2enhA12 CYS 18 H 0.02 -0.14 0.07 -0.55 8.50 7.90 2enhA12 CYS 18 HA 0.02 0.33 0.82 -0.75 4.58 4.99 2enhA12 CYS 18 HB2 0.09 0.08 0.05 -0.04 2.97 3.15 2enhA12 CYS 18 HB3 0.14 0.06 -0.06 -0.04 2.97 3.08 2enhA12 ARG 19 H 0.06 -0.17 -0.37 -0.55 8.46 7.42 2enhA12 ARG 19 HA 0.07 0.21 0.11 -0.75 4.34 3.96 2enhA12 ARG 19 HB2 0.01 0.16 -0.12 -0.04 1.90 1.91 2enhA12 ARG 19 HB3 0.02 0.03 0.08 -0.04 1.80 1.88 2enhA12 ARG 19 HG2 0.01 -0.05 -0.53 -0.04 1.67 1.06 2enhA12 ARG 19 HG3 0.01 0.02 -0.16 -0.04 1.67 1.50 2enhA12 ARG 19 HD2 0.02 0.04 -0.03 -0.04 3.22 3.21 2enhA12 ARG 19 HD3 0.03 -0.13 -0.27 -0.04 3.22 2.81 2enhA12 LYS 20 H 0.13 -0.20 -0.19 -0.55 8.42 7.60 2enhA12 LYS 20 HA -0.10 0.24 0.50 -0.75 4.32 4.21 2enhA12 LYS 20 HB2 -0.06 -0.02 -0.03 -0.04 1.87 1.72 2enhA12 LYS 20 HB3 -0.16 -0.06 -0.07 -0.04 1.79 1.45 2enhA12 LYS 20 HG2 -0.84 0.15 0.05 -0.04 1.46 0.78 2enhA12 LYS 20 HG3 -0.27 0.05 0.11 -0.04 1.46 1.31 2enhA12 LYS 20 HD2 -0.15 0.01 -0.01 -0.04 1.69 1.50 2enhA12 LYS 20 HD3 -0.40 -0.04 -0.02 -0.04 1.68 1.18 2enhA12 LYS 20 HE2 -0.20 0.02 0.03 -0.04 2.99 2.80 2enhA12 LYS 20 HE3 -0.13 -0.01 0.00 -0.04 2.99 2.81 2enhA12 ALA 21 H -0.37 0.17 0.17 -0.55 8.40 7.81 2enhA12 ALA 21 HA -0.02 0.34 1.03 -0.75 4.34 4.94 2enhA12 ALA 21 HB3 -0.08 0.02 0.05 -0.04 1.41 1.35 2enhA12 PHE 22 H 0.20 0.46 0.17 -0.55 8.34 8.62 2enhA12 PHE 22 HA 0.00 0.21 0.78 -0.75 4.62 4.86 2enhA12 PHE 22 HB2 0.02 -0.04 -0.23 -0.04 3.15 2.86 2enhA12 PHE 22 HB3 -0.02 -0.11 -0.07 -0.04 3.06 2.82 2enhA12 PHE 22 HD2 0.00 -0.00 -0.29 -0.04 7.28 6.95 2enhA12 PHE 22 HE2 -0.09 -0.06 -0.13 -0.04 7.38 7.06 2enhA12 PHE 22 HZ -0.88 -0.04 -0.07 -0.04 7.32 6.28 2enhA12 SER 23 H 0.18 0.17 0.06 -0.55 8.46 8.32 2enhA12 SER 23 HA 0.13 0.33 0.96 -0.75 4.49 5.16 2enhA12 SER 23 HB2 0.06 0.02 0.22 -0.04 3.95 4.21 2enhA12 SER 23 HB3 0.06 0.05 -0.05 -0.04 3.93 3.96 2enhA12 HIS 24 H -0.04 0.15 -0.30 -0.55 8.41 7.67 2enhA12 HIS 24 HA -0.19 0.12 0.48 -0.75 4.63 4.29 2enhA12 HIS 24 HB2 -0.03 0.22 -0.32 -0.04 3.26 3.09 2enhA12 HIS 24 HB3 -0.08 -0.26 0.08 -0.04 3.20 2.91 2enhA12 HIS 24 HD2 -0.01 0.08 0.06 -0.04 6.97 7.05 2enhA12 HIS 24 HE1 -0.03 0.05 0.03 -0.04 7.75 7.74 2enhA12 HIS 25 H -0.51 0.27 0.08 -0.55 8.41 7.70 2enhA12 HIS 25 HA -0.91 0.10 0.31 -0.75 4.63 3.37 2enhA12 HIS 25 HB2 0.02 0.07 0.12 -0.04 3.26 3.44 2enhA12 HIS 25 HB3 -0.01 -0.04 0.10 -0.04 3.20 3.22 2enhA12 HIS 25 HD2 0.24 0.03 0.00 -0.04 6.97 7.20 2enhA12 HIS 25 HE1 0.04 0.03 -0.03 -0.04 7.75 7.75 2enhA12 ALA 26 H 0.24 0.09 -0.32 -0.55 8.40 7.86 2enhA12 ALA 26 HA 0.04 0.09 0.46 -0.75 4.34 4.19 2enhA12 ALA 26 HB3 -0.13 0.04 0.02 -0.04 1.41 1.30 2enhA12 SER 27 H -0.09 0.07 -0.14 -0.55 8.46 7.76 2enhA12 SER 27 HA -0.09 0.05 0.29 -0.75 4.49 3.98 2enhA12 SER 27 HB2 0.05 0.04 0.10 -0.04 3.95 4.10 2enhA12 SER 27 HB3 0.17 0.01 0.04 -0.04 3.93 4.11 2enhA12 LEU 28 H -0.25 0.26 -1.06 -0.55 8.37 6.78 2enhA12 LEU 28 HA -1.37 0.09 0.57 -0.75 4.35 2.89 2enhA12 LEU 28 HB2 -0.27 -0.08 -0.14 -0.04 1.64 1.11 2enhA12 LEU 28 HB3 -0.20 0.25 0.12 -0.04 1.64 1.77 2enhA12 LEU 28 HG -0.10 -0.01 -0.30 -0.04 1.64 1.19 2enhA12 LEU 28 HD13 -0.13 -0.03 -0.33 -0.04 0.93 0.40 2enhA12 LEU 28 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.82 2enhA12 THR 29 H -0.09 0.36 0.18 -0.55 8.28 8.18 2enhA12 THR 29 HA -0.04 0.04 0.40 -0.75 4.39 4.03 2enhA12 THR 29 HB 0.07 0.02 0.16 -0.04 4.32 4.53 2enhA12 THR 29 HG23 -0.01 0.04 -0.02 -0.04 1.22 1.18 2enhA12 GLN 30 H -0.09 0.66 -0.10 -0.55 8.47 8.39 2enhA12 GLN 30 HA -0.05 0.05 0.32 -0.75 4.36 3.93 2enhA12 GLN 30 HB2 -0.04 -0.00 -0.00 -0.04 2.15 2.07 2enhA12 GLN 30 HB3 -0.07 0.01 -0.02 -0.04 2.02 1.90 2enhA12 GLN 30 HG2 -0.09 0.06 -0.10 -0.04 2.40 2.23 2enhA12 GLN 30 HG3 -0.01 0.06 -0.38 -0.04 2.39 2.02 2enhA12 GLN 30 HE21 0.00 0.02 -0.11 -0.04 6.97 6.84 2enhA12 GLN 30 HE22 -0.00 -0.01 -0.05 -0.04 7.69 7.58 2enhA12 HIS 31 H -0.09 0.22 -0.52 -0.55 8.41 7.48 2enhA12 HIS 31 HA -0.06 0.07 0.50 -0.75 4.63 4.38 2enhA12 HIS 31 HB2 0.06 0.01 0.08 -0.04 3.26 3.38 2enhA12 HIS 31 HB3 -0.35 0.16 0.18 -0.04 3.20 3.15 2enhA12 HIS 31 HD2 0.12 -0.00 -0.07 -0.04 6.97 6.98 2enhA12 HIS 31 HE1 0.10 0.03 -0.05 -0.04 7.75 7.78 2enhA12 GLN 32 H -0.08 0.66 0.01 -0.55 8.47 8.51 2enhA12 GLN 32 HA -0.13 -0.11 0.31 -0.75 4.36 3.68 2enhA12 GLN 32 HB2 -0.05 0.18 0.15 -0.04 2.15 2.39 2enhA12 GLN 32 HB3 -0.01 0.02 -0.04 -0.04 2.02 1.95 2enhA12 GLN 32 HG2 0.11 -0.16 0.07 -0.04 2.40 2.38 2enhA12 GLN 32 HG3 0.02 0.13 -0.04 -0.04 2.39 2.46 2enhA12 GLN 32 HE21 0.06 -0.10 -0.00 -0.04 6.97 6.89 2enhA12 GLN 32 HE22 0.03 0.03 -0.02 -0.04 7.69 7.69 2enhA12 ARG 33 H -0.14 0.26 -0.95 -0.55 8.46 7.08 2enhA12 ARG 33 HA -0.08 0.02 0.26 -0.75 4.34 3.78 2enhA12 ARG 33 HB2 -0.10 0.26 0.11 -0.04 1.90 2.14 2enhA12 ARG 33 HB3 -0.07 -0.06 -0.04 -0.04 1.80 1.58 2enhA12 ARG 33 HG2 -0.04 -0.05 0.01 -0.04 1.67 1.55 2enhA12 ARG 33 HG3 -0.06 0.09 0.02 -0.04 1.67 1.68 2enhA12 ARG 33 HD2 -0.04 -0.08 -0.00 -0.04 3.22 3.06 2enhA12 ARG 33 HD3 -0.05 0.11 0.07 -0.04 3.22 3.31 2enhA12 VAL 34 H -0.31 0.63 -0.06 -0.55 8.24 7.96 2enhA12 VAL 34 HA -0.16 -0.02 0.38 -0.75 4.13 3.58 2enhA12 VAL 34 HB -0.26 -0.05 0.05 -0.04 2.12 1.82 2enhA12 VAL 34 HG13 -0.14 0.01 0.12 -0.04 0.97 0.91 2enhA12 VAL 34 HG23 -1.26 -0.03 -0.08 -0.04 0.95 -0.47 2enhA12 HIS 35 H -0.47 0.38 -0.46 -0.55 8.41 7.31 2enhA12 HIS 35 HA -0.04 0.06 0.60 -0.75 4.63 4.50 2enhA12 HIS 35 HB2 -0.06 0.09 0.16 -0.04 3.26 3.41 2enhA12 HIS 35 HB3 -0.02 -0.02 0.16 -0.04 3.20 3.27 2enhA12 HIS 35 HD2 -0.08 -0.05 0.06 -0.04 6.97 6.85 2enhA12 HIS 35 HE1 0.09 0.04 -0.09 -0.04 7.75 7.75 2enhA12 SER 36 H -0.04 0.32 -0.64 -0.55 8.46 7.55 2enhA12 SER 36 HA 0.01 0.08 0.73 -0.75 4.49 4.56 2enhA12 SER 36 HB2 -0.01 -0.06 0.04 -0.04 3.95 3.87 2enhA12 SER 36 HB3 -0.03 0.01 0.14 -0.04 3.93 4.00 2enhA12 GLY 37 H -0.01 0.08 0.03 -0.55 8.43 7.99 2enhA12 GLY 37 HA2 0.01 -0.08 0.40 -0.51 4.01 3.83 2enhA12 GLY 37 HA3 0.01 0.33 0.85 -0.51 4.01 4.68 2enhA12 GLU 38 H 0.00 0.12 0.11 -0.55 8.60 8.29 2enhA12 GLU 38 HA -0.00 0.19 0.67 -0.75 4.29 4.39 2enhA12 GLU 38 HB2 -0.01 -0.02 0.14 -0.04 2.09 2.15 2enhA12 GLU 38 HB3 -0.00 -0.01 0.21 -0.04 1.99 2.15 2enhA12 GLU 38 HG2 -0.01 0.04 0.07 -0.04 2.34 2.39 2enhA12 GLU 38 HG3 -0.01 -0.03 0.07 -0.04 2.34 2.34 2enhA12 LYS 39 H 0.00 0.43 -0.64 -0.55 8.42 7.65 2enhA12 LYS 39 HA 0.00 0.12 0.57 -0.75 4.32 4.25 2enhA12 LYS 39 HB2 0.00 -0.04 0.10 -0.04 1.87 1.89 2enhA12 LYS 39 HB3 0.00 0.08 -0.17 -0.04 1.79 1.67 2enhA12 LYS 39 HG2 0.00 -0.11 -0.11 -0.04 1.46 1.20 2enhA12 LYS 39 HG3 0.00 0.21 -0.10 -0.04 1.46 1.53 2enhA12 LYS 39 HD2 0.00 -0.05 -0.07 -0.04 1.69 1.53 2enhA12 LYS 39 HD3 0.00 -0.01 -0.08 -0.04 1.68 1.55 2enhA12 LYS 39 HE2 0.01 -0.03 -0.08 -0.04 2.99 2.85 2enhA12 LYS 39 HE3 0.01 0.20 -0.29 -0.04 2.99 2.86 2enhA12 PRO 40 HA 0.00 0.12 0.42 -0.51 4.44 4.47 2enhA12 PRO 40 HB2 0.00 0.02 0.07 -0.04 2.28 2.33 2enhA12 PRO 40 HB3 0.00 0.01 0.12 -0.04 2.02 2.11 2enhA12 PRO 40 HG2 0.00 0.02 0.01 -0.04 2.03 2.02 2enhA12 PRO 40 HG3 0.00 0.02 0.07 -0.04 2.03 2.08 2enhA12 PRO 40 HD2 0.00 0.08 0.22 -0.04 3.68 3.94 2enhA12 PRO 40 HD3 0.00 0.14 0.16 -0.04 3.65 3.91 2enhA12 SER 41 H 0.00 -0.07 -0.64 -0.55 8.46 7.20 2enhA12 SER 41 HA 0.00 0.19 0.83 -0.75 4.49 4.76 2enhA12 SER 41 HB2 0.00 -0.03 -0.02 -0.04 3.95 3.86 2enhA12 SER 41 HB3 0.00 -0.04 0.05 -0.04 3.93 3.90 2enhA12 GLY 42 H 0.00 0.03 0.09 -0.55 8.43 8.01 2enhA12 GLY 42 HA2 0.00 -0.06 0.36 -0.51 4.01 3.80 2enhA12 GLY 42 HA3 0.01 0.27 0.90 -0.51 4.01 4.67 2enhA12 PRO 43 HA 0.00 0.04 0.43 -0.51 4.44 4.40 2enhA12 PRO 43 HB2 0.00 0.11 0.15 -0.04 2.28 2.49 2enhA12 PRO 43 HB3 0.00 -0.02 0.15 -0.04 2.02 2.11 2enhA12 PRO 43 HG2 0.00 0.08 -0.03 -0.04 2.03 2.04 2enhA12 PRO 43 HG3 0.00 0.01 0.07 -0.04 2.03 2.07 2enhA12 PRO 43 HD2 0.01 0.13 0.19 -0.04 3.68 3.96 2enhA12 PRO 43 HD3 0.00 0.06 0.17 -0.04 3.65 3.84 2enhA12 SER 44 H 0.00 0.09 0.19 -0.55 8.46 8.20 2enhA12 SER 44 HA 0.00 0.28 0.90 -0.75 4.49 4.92 2enhA12 SER 44 HB2 0.00 0.05 -0.06 -0.04 3.95 3.90 2enhA12 SER 44 HB3 0.00 -0.04 0.00 -0.04 3.93 3.85 2enhA12 SER 45 H 0.00 0.26 0.20 -0.55 8.46 8.38 2enhA12 SER 45 HA 0.00 0.15 0.76 -0.75 4.49 4.64 2enhA12 SER 45 HB2 0.01 0.04 -0.03 -0.04 3.95 3.93 2enhA12 SER 45 HB3 0.00 -0.07 0.02 -0.04 3.93 3.85 2enhA12 GLY 46 H 0.00 0.12 0.06 -0.55 8.43 8.07 2enhA12 GLY 46 HA2 0.01 0.06 0.16 -0.51 4.01 3.72 2enhA12 GLY 46 HA3 0.00 0.23 0.63 -0.51 4.01 4.37