============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. TYR 9 0.840 -3.274 3.895 -2.283 -99.200 -91.000 HIS 18 0.900 3.200 -1.380 11.875 -99.200 -91.000 HIS 25 0.900 5.128 10.436 9.227 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1co4A6 MET 1 HA 0.08 0.19 0.47 -0.75 4.52 4.51 1co4A6 MET 1 HB3 0.06 -0.34 0.32 -0.04 2.03 2.03 1co4A6 MET 1 HG3 0.04 -0.02 0.21 -0.04 2.56 2.75 1co4A6 MET 1 HE3 0.01 0.04 -0.03 -0.04 2.10 2.09 1co4A6 MET 1 HB2 0.05 0.01 0.02 -0.04 2.15 2.19 1co4A6 MET 1 HG2 0.04 -0.17 0.17 -0.04 2.63 2.63 1co4A6 VAL 2 H 0.14 0.42 0.20 -0.55 8.24 8.45 1co4A6 VAL 2 HA 0.07 0.19 0.84 -0.75 4.13 4.49 1co4A6 VAL 2 HB 0.07 -0.08 -0.07 -0.04 2.12 2.00 1co4A6 VAL 2 HG13 0.03 -0.02 -0.05 -0.04 0.97 0.89 1co4A6 VAL 2 HG23 0.03 0.06 -0.24 -0.04 0.95 0.76 1co4A6 VAL 3 H 0.09 0.27 0.19 -0.55 8.24 8.24 1co4A6 VAL 3 HA 0.22 0.21 0.94 -0.75 4.13 4.74 1co4A6 VAL 3 HB 0.05 -0.05 0.00 -0.04 2.12 2.08 1co4A6 VAL 3 HG13 0.03 -0.04 -0.21 -0.04 0.97 0.71 1co4A6 VAL 3 HG23 0.04 0.03 -0.18 -0.04 0.95 0.80 1co4A6 ILE 4 H 0.22 0.55 0.17 -0.55 8.25 8.63 1co4A6 ILE 4 HA 0.07 0.15 0.89 -0.75 4.18 4.53 1co4A6 ILE 4 HB 0.17 -0.03 0.06 -0.04 1.89 2.04 1co4A6 ILE 4 HG13 0.06 0.25 -0.66 -0.04 1.21 0.82 1co4A6 ILE 4 HG23 0.04 -0.00 -0.03 -0.04 0.93 0.89 1co4A6 ILE 4 HD13 -0.03 -0.01 -0.27 -0.04 0.88 0.53 1co4A6 ILE 4 HG12 -0.01 0.01 -0.11 -0.04 1.49 1.34 1co4A6 ASN 5 H 0.04 0.20 0.09 -0.55 8.53 8.31 1co4A6 ASN 5 HA 0.03 0.05 0.40 -0.75 4.76 4.48 1co4A6 ASN 5 HB3 0.03 0.03 0.20 -0.04 2.79 3.00 1co4A6 ASN 5 HD21 0.02 0.03 0.02 -0.04 7.03 7.05 1co4A6 ASN 5 HD22 0.01 0.00 0.02 -0.04 7.74 7.73 1co4A6 ASN 5 HB2 0.05 0.11 -0.22 -0.04 2.88 2.78 1co4A6 GLY 6 H 0.03 0.22 0.41 -0.55 8.43 8.55 1co4A6 GLY 6 HA2 0.00 0.19 0.73 -0.51 4.01 4.42 1co4A6 GLY 6 HA3 0.00 -0.02 0.34 -0.51 4.01 3.83 1co4A6 VAL 7 H 0.04 0.56 0.17 -0.55 8.24 8.46 1co4A6 VAL 7 HA -0.13 0.25 1.06 -0.75 4.13 4.56 1co4A6 VAL 7 HB 0.19 -0.05 0.13 -0.04 2.12 2.34 1co4A6 VAL 7 HG13 -0.43 0.03 0.11 -0.04 0.97 0.64 1co4A6 VAL 7 HG23 0.05 -0.01 -0.08 -0.04 0.95 0.86 1co4A6 LYS 8 H -0.48 0.60 0.47 -0.55 8.42 8.45 1co4A6 LYS 8 HA -0.10 0.22 1.13 -0.75 4.32 4.83 1co4A6 LYS 8 HB3 -0.14 0.01 -0.04 -0.04 1.79 1.58 1co4A6 LYS 8 HG3 0.00 0.10 0.11 -0.04 1.46 1.63 1co4A6 LYS 8 HD3 0.00 0.01 -0.10 -0.04 1.68 1.55 1co4A6 LYS 8 HE3 -0.04 -0.07 -0.14 -0.04 2.99 2.71 1co4A6 LYS 8 HB2 -0.07 0.00 -0.11 -0.04 1.87 1.65 1co4A6 LYS 8 HG2 -0.06 -0.08 -0.28 -0.04 1.46 1.01 1co4A6 LYS 8 HD2 0.01 -0.05 -0.12 -0.04 1.69 1.49 1co4A6 LYS 8 HE2 -0.03 0.02 -0.10 -0.04 2.99 2.84 1co4A6 TYR 9 H 0.13 0.74 0.44 -0.55 8.29 9.06 1co4A6 TYR 9 HA 0.01 0.11 0.82 -0.75 4.56 4.74 1co4A6 TYR 9 HB3 0.01 0.16 0.18 -0.04 2.98 3.29 1co4A6 TYR 9 HD2 0.01 0.12 -0.24 -0.04 7.15 6.99 1co4A6 TYR 9 HE2 0.00 -0.05 -0.15 -0.04 6.85 6.61 1co4A6 TYR 9 HB2 0.01 -0.07 -0.03 -0.04 3.06 2.93 1co4A6 ALA 10 H 0.13 0.61 0.38 -0.55 8.40 8.97 1co4A6 ALA 10 HA 0.09 0.27 0.48 -0.75 4.34 4.42 1co4A6 ALA 10 HB3 0.06 0.01 -0.14 -0.04 1.41 1.29 1co4A6 CYS 11 H 0.06 0.20 0.12 -0.55 8.50 8.33 1co4A6 CYS 11 HA 0.01 0.27 0.61 -0.75 4.58 4.72 1co4A6 CYS 11 HB3 0.05 0.12 0.00 -0.04 2.97 3.11 1co4A6 CYS 11 HB2 -0.01 0.25 -0.01 -0.04 2.97 3.15 1co4A6 ASP 12 H -0.04 0.68 0.22 -0.55 8.40 8.71 1co4A6 ASP 12 HA -0.04 0.07 0.33 -0.75 4.63 4.23 1co4A6 ASP 12 HB3 -0.07 -0.01 -0.02 -0.04 2.70 2.57 1co4A6 ASP 12 HB2 -0.04 0.15 0.17 -0.04 2.71 2.95 1co4A6 SER 13 H -0.20 0.11 -0.58 -0.55 8.46 7.25 1co4A6 SER 13 HA -0.21 0.20 0.59 -0.75 4.49 4.32 1co4A6 SER 13 HB3 -0.63 0.05 0.11 -0.04 3.93 3.41 1co4A6 SER 13 HB2 -2.10 -0.01 0.02 -0.04 3.95 1.82 1co4A6 CYS 14 H -0.07 0.41 -0.55 -0.55 8.50 7.74 1co4A6 CYS 14 HA 0.05 0.07 0.83 -0.75 4.58 4.77 1co4A6 CYS 14 HB3 0.07 -0.07 -0.08 -0.04 2.97 2.84 1co4A6 CYS 14 HB2 0.05 0.05 0.04 -0.04 2.97 3.07 1co4A6 ILE 15 H -0.02 0.69 0.03 -0.55 8.25 8.40 1co4A6 ILE 15 HA -0.01 0.12 0.22 -0.75 4.18 3.75 1co4A6 ILE 15 HB 0.00 0.05 -0.14 -0.04 1.89 1.76 1co4A6 ILE 15 HG13 -0.01 0.03 -0.02 -0.04 1.21 1.16 1co4A6 ILE 15 HG23 -0.02 0.00 -0.16 -0.04 0.93 0.71 1co4A6 ILE 15 HD13 0.00 -0.01 -0.26 -0.04 0.88 0.57 1co4A6 ILE 15 HG12 -0.00 0.02 -0.09 -0.04 1.49 1.38 1co4A6 LYS 16 H -0.05 0.08 -0.49 -0.55 8.42 7.40 1co4A6 LYS 16 HA -0.05 0.06 0.28 -0.75 4.32 3.85 1co4A6 LYS 16 HB3 -0.07 -0.01 -0.07 -0.04 1.79 1.60 1co4A6 LYS 16 HG3 -0.05 0.11 0.12 -0.04 1.46 1.59 1co4A6 LYS 16 HD3 -0.05 -0.03 -0.00 -0.04 1.68 1.56 1co4A6 LYS 16 HE3 -0.04 -0.04 -0.02 -0.04 2.99 2.85 1co4A6 LYS 16 HB2 -0.07 -0.06 -0.04 -0.04 1.87 1.66 1co4A6 LYS 16 HG2 -0.04 -0.02 0.07 -0.04 1.46 1.42 1co4A6 LYS 16 HD2 -0.06 0.00 0.02 -0.04 1.69 1.60 1co4A6 LYS 16 HE2 -0.04 -0.00 0.01 -0.04 2.99 2.92 1co4A6 SER 17 H -0.11 0.23 -0.89 -0.55 8.46 7.14 1co4A6 SER 17 HA -0.26 0.17 0.53 -0.75 4.49 4.17 1co4A6 SER 17 HB3 -1.13 -0.01 -0.03 -0.04 3.93 2.72 1co4A6 SER 17 HB2 -0.28 -0.13 -0.16 -0.04 3.95 3.34 1co4A6 HIS 18 H -0.22 -0.07 0.16 -0.55 8.41 7.74 1co4A6 HIS 18 HA 0.01 0.10 0.36 -0.75 4.63 4.35 1co4A6 HIS 18 HB3 0.00 0.14 0.22 -0.04 3.20 3.52 1co4A6 HIS 18 HD2 0.00 0.11 -0.12 -0.04 6.97 6.91 1co4A6 HIS 18 HE1 0.01 0.01 -0.08 -0.04 7.75 7.64 1co4A6 HIS 18 HB2 0.01 -0.05 0.18 -0.04 3.26 3.36 1co4A6 LYS 19 H 0.02 0.25 0.27 -0.55 8.42 8.40 1co4A6 LYS 19 HA 0.11 0.14 0.44 -0.75 4.32 4.25 1co4A6 LYS 19 HB3 0.23 0.11 0.22 -0.04 1.79 2.30 1co4A6 LYS 19 HG3 0.09 -0.01 0.11 -0.04 1.46 1.62 1co4A6 LYS 19 HD3 0.04 -0.02 0.00 -0.04 1.68 1.66 1co4A6 LYS 19 HE3 0.04 0.00 -0.01 -0.04 2.99 2.98 1co4A6 LYS 19 HB2 0.06 -0.06 0.22 -0.04 1.87 2.06 1co4A6 LYS 19 HG2 0.18 0.05 0.09 -0.04 1.46 1.74 1co4A6 LYS 19 HD2 0.07 -0.02 -0.01 -0.04 1.69 1.68 1co4A6 LYS 19 HE2 0.06 0.01 0.00 -0.04 2.99 3.02 1co4A6 ALA 20 H 0.08 0.07 -0.62 -0.55 8.40 7.39 1co4A6 ALA 20 HA 0.08 0.02 0.39 -0.75 4.34 4.08 1co4A6 ALA 20 HB3 0.06 0.05 -0.04 -0.04 1.41 1.44 1co4A6 ALA 21 H 0.08 0.44 -0.50 -0.55 8.40 7.87 1co4A6 ALA 21 HA 0.03 0.02 0.29 -0.75 4.34 3.92 1co4A6 ALA 21 HB3 0.04 -0.00 0.05 -0.04 1.41 1.46 1co4A6 GLN 22 H 0.04 0.42 -0.67 -0.55 8.47 7.70 1co4A6 GLN 22 HA 0.01 0.18 0.55 -0.75 4.36 4.34 1co4A6 GLN 22 HB3 -0.01 -0.07 0.00 -0.04 2.02 1.90 1co4A6 GLN 22 HG3 -0.02 0.08 0.04 -0.04 2.39 2.45 1co4A6 GLN 22 HE21 -0.00 0.14 0.06 -0.04 6.97 7.12 1co4A6 GLN 22 HE22 -0.01 -0.05 0.01 -0.04 7.69 7.61 1co4A6 GLN 22 HB2 -0.00 0.07 -0.15 -0.04 2.15 2.03 1co4A6 GLN 22 HG2 -0.04 -0.08 0.11 -0.04 2.40 2.35 1co4A6 CYS 23 H 0.04 0.49 0.10 -0.55 8.50 8.58 1co4A6 CYS 23 HA 0.05 -0.11 0.33 -0.75 4.58 4.09 1co4A6 CYS 23 HB3 0.06 0.22 0.24 -0.04 2.97 3.45 1co4A6 CYS 23 HB2 0.10 -0.16 0.18 -0.04 2.97 3.06 1co4A6 GLU 24 H -0.37 0.02 0.31 -0.55 8.60 8.02 1co4A6 GLU 24 HA -0.07 0.25 0.98 -0.75 4.29 4.70 1co4A6 GLU 24 HB3 -0.12 -0.10 0.16 -0.04 1.99 1.89 1co4A6 GLU 24 HG3 -0.06 -0.03 0.04 -0.04 2.34 2.25 1co4A6 GLU 24 HB2 -0.17 0.03 0.18 -0.04 2.09 2.09 1co4A6 GLU 24 HG2 -0.05 0.10 -0.04 -0.04 2.34 2.31 1co4A6 HIS 25 H -0.20 -0.07 -0.06 -0.55 8.41 7.54 1co4A6 HIS 25 HA 0.00 0.08 0.47 -0.75 4.63 4.43 1co4A6 HIS 25 HB3 0.00 -0.08 0.15 -0.04 3.20 3.23 1co4A6 HIS 25 HD2 0.00 0.01 0.02 -0.04 6.97 6.95 1co4A6 HIS 25 HE1 0.01 0.09 -0.03 -0.04 7.75 7.78 1co4A6 HIS 25 HB2 0.01 0.06 -0.03 -0.04 3.26 3.26 1co4A6 ASN 26 H 0.12 -0.10 0.20 -0.55 8.53 8.20 1co4A6 ASN 26 HA 0.04 0.25 0.82 -0.75 4.76 5.12 1co4A6 ASN 26 HB3 0.03 -0.12 0.09 -0.04 2.79 2.75 1co4A6 ASN 26 HD21 0.02 -0.04 -0.05 -0.04 7.03 6.91 1co4A6 ASN 26 HD22 0.01 -0.02 -0.07 -0.04 7.74 7.62 1co4A6 ASN 26 HB2 0.03 0.12 -0.08 -0.04 2.88 2.91 1co4A6 ASP 27 H 0.05 -0.07 0.20 -0.55 8.40 8.02 1co4A6 ASP 27 HA 0.01 0.21 0.63 -0.75 4.63 4.74 1co4A6 ASP 27 HB3 0.02 0.03 0.12 -0.04 2.70 2.82 1co4A6 ASP 27 HB2 0.01 -0.06 0.18 -0.04 2.71 2.79 1co4A6 ARG 28 H -0.00 0.07 0.11 -0.55 8.46 8.08 1co4A6 ARG 28 HA -0.02 0.03 0.41 -0.75 4.34 4.02 1co4A6 ARG 28 HB3 -0.05 -0.04 0.15 -0.04 1.80 1.82 1co4A6 ARG 28 HG3 -0.05 0.08 -0.34 -0.04 1.67 1.32 1co4A6 ARG 28 HD3 -0.09 -0.04 -0.07 -0.04 3.22 2.98 1co4A6 ARG 28 HB2 -0.05 0.07 0.34 -0.04 1.90 2.22 1co4A6 ARG 28 HG2 -0.02 -0.13 -0.50 -0.04 1.67 0.97 1co4A6 ARG 28 HD2 -0.09 0.00 -0.08 -0.04 3.22 3.02 1co4A6 PRO 29 HA -0.00 0.14 0.55 -0.51 4.44 4.62 1co4A6 PRO 29 HB3 -0.00 0.03 0.13 -0.04 2.02 2.14 1co4A6 PRO 29 HG3 -0.01 0.06 0.09 -0.04 2.03 2.13 1co4A6 PRO 29 HD3 -0.01 0.10 0.23 -0.04 3.65 3.92 1co4A6 PRO 29 HB2 -0.00 0.16 0.06 -0.04 2.28 2.46 1co4A6 PRO 29 HG2 -0.01 0.05 0.06 -0.04 2.03 2.09 1co4A6 PRO 29 HD2 -0.02 0.03 0.24 -0.04 3.68 3.89 1co4A6 LEU 30 H 0.01 0.13 0.18 -0.55 8.37 8.14 1co4A6 LEU 30 HA 0.02 0.13 0.86 -0.75 4.35 4.61 1co4A6 LEU 30 HB3 0.01 -0.01 -0.02 -0.04 1.64 1.58 1co4A6 LEU 30 HG 0.08 0.04 0.03 -0.04 1.64 1.75 1co4A6 LEU 30 HD13 0.04 -0.03 -0.31 -0.04 0.93 0.59 1co4A6 LEU 30 HD23 -0.02 0.00 -0.12 -0.04 0.89 0.72 1co4A6 LEU 30 HB2 0.01 0.02 -0.02 -0.04 1.64 1.61 1co4A6 LYS 31 H 0.07 0.66 0.39 -0.55 8.42 8.99 1co4A6 LYS 31 HA 0.06 0.13 0.82 -0.75 4.32 4.59 1co4A6 LYS 31 HB3 0.03 0.09 -0.01 -0.04 1.79 1.86 1co4A6 LYS 31 HG3 0.02 0.03 0.01 -0.04 1.46 1.48 1co4A6 LYS 31 HD3 0.00 0.01 0.03 -0.04 1.68 1.68 1co4A6 LYS 31 HE3 -0.00 -0.04 -0.07 -0.04 2.99 2.84 1co4A6 LYS 31 HB2 0.02 -0.07 -0.17 -0.04 1.87 1.60 1co4A6 LYS 31 HG2 0.03 -0.06 0.17 -0.04 1.46 1.56 1co4A6 LYS 31 HD2 0.00 0.02 -0.03 -0.04 1.69 1.64 1co4A6 LYS 31 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.93 1co4A6 ILE 32 H 0.07 0.13 0.21 -0.55 8.25 8.11 1co4A6 ILE 32 HA 0.04 0.26 1.17 -0.75 4.18 4.90 1co4A6 ILE 32 HB -0.02 0.06 0.17 -0.04 1.89 2.07 1co4A6 ILE 32 HG13 0.05 -0.02 -0.00 -0.04 1.21 1.20 1co4A6 ILE 32 HG23 0.25 -0.02 -0.11 -0.04 0.93 1.01 1co4A6 ILE 32 HD13 0.02 -0.02 -0.02 -0.04 0.88 0.82 1co4A6 ILE 32 HG12 -0.08 0.06 -0.14 -0.04 1.49 1.30 1co4A6 LEU 33 H -0.37 0.56 0.46 -0.55 8.37 8.48 1co4A6 LEU 33 HA -0.08 0.01 0.35 -0.75 4.35 3.87 1co4A6 LEU 33 HB3 -0.06 -0.02 -0.07 -0.04 1.64 1.45 1co4A6 LEU 33 HG -0.03 -0.06 0.16 -0.04 1.64 1.67 1co4A6 LEU 33 HD13 -0.02 -0.04 0.07 -0.04 0.93 0.90 1co4A6 LEU 33 HD23 -0.02 -0.01 -0.00 -0.04 0.89 0.82 1co4A6 LEU 33 HB2 -0.06 0.02 -0.59 -0.04 1.64 0.97 1co4A6 LYS 34 H -0.06 0.13 -0.02 -0.55 8.42 7.91 1co4A6 LYS 34 HA -0.08 0.11 0.41 -0.75 4.32 4.01 1co4A6 LYS 34 HB3 -0.12 0.08 0.36 -0.04 1.79 2.06 1co4A6 LYS 34 HG3 -0.05 -0.03 0.09 -0.04 1.46 1.43 1co4A6 LYS 34 HD3 -0.05 0.01 0.03 -0.04 1.68 1.63 1co4A6 LYS 34 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 1co4A6 LYS 34 HB2 -0.06 0.10 0.12 -0.04 1.87 2.00 1co4A6 LYS 34 HG2 -0.09 -0.09 -0.33 -0.04 1.46 0.91 1co4A6 LYS 34 HD2 -0.04 0.07 0.06 -0.04 1.69 1.74 1co4A6 LYS 34 HE2 -0.02 0.02 0.03 -0.04 2.99 2.98 1co4A6 PRO 35 HA -0.01 0.06 0.63 -0.51 4.44 4.60 1co4A6 PRO 35 HB3 0.00 0.05 0.09 -0.04 2.02 2.12 1co4A6 PRO 35 HG3 0.00 0.07 0.05 -0.04 2.03 2.11 1co4A6 PRO 35 HD3 -0.04 0.06 0.05 -0.04 3.65 3.68 1co4A6 PRO 35 HB2 -0.00 0.00 0.05 -0.04 2.28 2.29 1co4A6 PRO 35 HG2 -0.01 0.07 0.08 -0.04 2.03 2.13 1co4A6 PRO 35 HD2 -0.03 0.16 0.09 -0.04 3.68 3.86 1co4A6 ARG 36 H -0.01 0.24 0.27 -0.55 8.46 8.41 1co4A6 ARG 36 HA -0.01 0.11 0.43 -0.75 4.34 4.12 1co4A6 ARG 36 HB3 -0.01 -0.07 0.05 -0.04 1.80 1.73 1co4A6 ARG 36 HG3 -0.01 0.21 0.14 -0.04 1.67 1.97 1co4A6 ARG 36 HD3 -0.01 -0.07 -0.09 -0.04 3.22 3.02 1co4A6 ARG 36 HB2 -0.01 0.13 0.29 -0.04 1.90 2.27 1co4A6 ARG 36 HG2 -0.01 -0.04 0.09 -0.04 1.67 1.66 1co4A6 ARG 36 HD2 -0.01 -0.06 -0.01 -0.04 3.22 3.11 1co4A6 GLY 37 H -0.01 -0.03 -0.47 -0.55 8.43 7.38 1co4A6 GLY 37 HA2 -0.01 0.02 0.24 -0.51 4.01 3.75 1co4A6 GLY 37 HA3 -0.01 0.21 0.79 -0.51 4.01 4.49 1co4A6 ARG 38 H -0.00 0.13 -0.24 -0.55 8.46 7.79 1co4A6 ARG 38 HA -0.00 -0.01 0.31 -0.75 4.34 3.89 1co4A6 ARG 38 HB3 -0.00 -0.05 -0.09 -0.04 1.80 1.62 1co4A6 ARG 38 HG3 -0.00 0.03 0.22 -0.04 1.67 1.88 1co4A6 ARG 38 HD3 -0.00 -0.07 0.04 -0.04 3.22 3.15 1co4A6 ARG 38 HB2 -0.00 0.05 -0.44 -0.04 1.90 1.47 1co4A6 ARG 38 HG2 -0.00 -0.09 0.08 -0.04 1.67 1.61 1co4A6 ARG 38 HD2 -0.00 -0.07 0.01 -0.04 3.22 3.12 1co4A6 PRO 39 HA -0.00 0.13 0.53 -0.51 4.44 4.59 1co4A6 PRO 39 HB3 -0.00 0.02 0.05 -0.04 2.02 2.05 1co4A6 PRO 39 HG3 -0.00 0.05 -0.02 -0.04 2.03 2.01 1co4A6 PRO 39 HD3 -0.00 0.17 -0.11 -0.04 3.65 3.66 1co4A6 PRO 39 HB2 -0.00 -0.02 -0.10 -0.04 2.28 2.12 1co4A6 PRO 39 HG2 -0.00 0.10 -0.05 -0.04 2.03 2.04 1co4A6 PRO 39 HD2 -0.00 0.02 -0.22 -0.04 3.68 3.44 1co4A6 PRO 40 HA -0.01 0.16 0.56 -0.51 4.44 4.65 1co4A6 PRO 40 HB3 -0.00 0.09 0.11 -0.04 2.02 2.18 1co4A6 PRO 40 HG3 -0.00 0.11 0.11 -0.04 2.03 2.21 1co4A6 PRO 40 HD3 -0.00 0.20 0.24 -0.04 3.65 4.05 1co4A6 PRO 40 HB2 -0.00 -0.01 0.13 -0.04 2.28 2.36 1co4A6 PRO 40 HG2 -0.00 -0.15 0.15 -0.04 2.03 1.99 1co4A6 PRO 40 HD2 -0.00 0.06 0.18 -0.04 3.68 3.87 1co4A6 THR 41 H -0.00 -0.03 0.10 -0.55 8.28 7.80 1co4A6 THR 41 HA -0.00 0.13 0.31 -0.75 4.39 4.07 1co4A6 THR 41 HB -0.01 0.29 0.01 -0.04 4.32 4.57 1co4A6 THR 41 HG23 -0.00 -0.02 -0.10 -0.04 1.22 1.06 1co4A6 THR 42 H -0.00 0.06 0.05 -0.55 8.28 7.84 1co4A6 THR 42 HA -0.00 0.13 0.18 -0.75 4.39 3.94 1co4A6 THR 42 HB -0.00 -0.07 -0.44 -0.04 4.32 3.77 1co4A6 THR 42 HG23 -0.00 -0.00 0.04 -0.04 1.22 1.22