============================================================================= 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 -3.151 3.959 -2.499 -99.200 -91.000 HIS 18 0.900 0.606 -1.626 8.727 -99.200 -91.000 HIS 25 0.900 5.150 10.249 9.053 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1co4A8 MET 1 HA 0.07 -0.02 0.33 -0.75 4.52 4.15 1co4A8 MET 1 HB3 0.05 -0.07 -0.03 -0.04 2.03 1.93 1co4A8 MET 1 HG3 0.01 -0.08 -0.32 -0.04 2.56 2.12 1co4A8 MET 1 HE3 0.01 -0.02 -0.31 -0.04 2.10 1.74 1co4A8 MET 1 HB2 0.04 0.01 -0.03 -0.04 2.15 2.13 1co4A8 MET 1 HG2 0.02 0.06 0.03 -0.04 2.63 2.69 1co4A8 VAL 2 H 0.08 0.34 -0.08 -0.55 8.24 8.03 1co4A8 VAL 2 HA 0.02 0.23 0.92 -0.75 4.13 4.55 1co4A8 VAL 2 HB 0.20 -0.11 0.03 -0.04 2.12 2.20 1co4A8 VAL 2 HG13 0.13 0.02 -0.15 -0.04 0.97 0.93 1co4A8 VAL 2 HG23 0.07 0.02 -0.25 -0.04 0.95 0.74 1co4A8 VAL 3 H -0.05 0.24 0.08 -0.55 8.24 7.96 1co4A8 VAL 3 HA -0.31 0.19 1.01 -0.75 4.13 4.27 1co4A8 VAL 3 HB -0.07 -0.03 0.06 -0.04 2.12 2.05 1co4A8 VAL 3 HG13 -0.10 -0.04 -0.22 -0.04 0.97 0.57 1co4A8 VAL 3 HG23 -0.07 -0.04 -0.11 -0.04 0.95 0.70 1co4A8 ILE 4 H -0.30 0.49 0.17 -0.55 8.25 8.06 1co4A8 ILE 4 HA -0.06 0.15 0.85 -0.75 4.18 4.37 1co4A8 ILE 4 HB -0.08 -0.04 0.05 -0.04 1.89 1.79 1co4A8 ILE 4 HG13 -0.03 0.26 -0.51 -0.04 1.21 0.89 1co4A8 ILE 4 HG23 0.02 -0.01 -0.03 -0.04 0.93 0.86 1co4A8 ILE 4 HD13 -0.18 -0.01 -0.43 -0.04 0.88 0.23 1co4A8 ILE 4 HG12 0.08 -0.01 -0.15 -0.04 1.49 1.37 1co4A8 ASN 5 H -0.04 0.20 0.08 -0.55 8.53 8.23 1co4A8 ASN 5 HA -0.02 0.05 0.40 -0.75 4.76 4.43 1co4A8 ASN 5 HB3 -0.02 0.02 0.21 -0.04 2.79 2.96 1co4A8 ASN 5 HD21 0.01 -0.00 -0.11 -0.04 7.03 6.89 1co4A8 ASN 5 HD22 0.01 0.01 -0.02 -0.04 7.74 7.70 1co4A8 ASN 5 HB2 -0.02 0.11 -0.25 -0.04 2.88 2.68 1co4A8 GLY 6 H -0.04 0.25 0.43 -0.55 8.43 8.52 1co4A8 GLY 6 HA2 -0.04 0.18 0.73 -0.51 4.01 4.37 1co4A8 GLY 6 HA3 -0.02 -0.01 0.35 -0.51 4.01 3.82 1co4A8 VAL 7 H -0.12 0.55 0.16 -0.55 8.24 8.28 1co4A8 VAL 7 HA -0.08 0.22 1.07 -0.75 4.13 4.59 1co4A8 VAL 7 HB -0.35 -0.04 0.12 -0.04 2.12 1.80 1co4A8 VAL 7 HG13 0.11 0.01 0.07 -0.04 0.97 1.12 1co4A8 VAL 7 HG23 0.00 0.01 -0.06 -0.04 0.95 0.87 1co4A8 LYS 8 H -0.12 0.66 0.39 -0.55 8.42 8.79 1co4A8 LYS 8 HA -0.26 0.08 0.91 -0.75 4.32 4.30 1co4A8 LYS 8 HB3 -0.06 0.01 -0.17 -0.04 1.79 1.53 1co4A8 LYS 8 HG3 0.05 -0.01 -0.17 -0.04 1.46 1.29 1co4A8 LYS 8 HD3 -0.01 0.08 0.14 -0.04 1.68 1.86 1co4A8 LYS 8 HE3 0.01 0.00 -0.13 -0.04 2.99 2.83 1co4A8 LYS 8 HB2 -0.00 0.02 -0.08 -0.04 1.87 1.76 1co4A8 LYS 8 HG2 0.04 0.07 -0.02 -0.04 1.46 1.51 1co4A8 LYS 8 HD2 -0.04 -0.05 -0.27 -0.04 1.69 1.28 1co4A8 LYS 8 HE2 0.01 0.01 -0.16 -0.04 2.99 2.81 1co4A8 TYR 9 H -0.07 0.29 0.03 -0.55 8.29 7.98 1co4A8 TYR 9 HA 0.02 0.12 1.03 -0.75 4.56 4.97 1co4A8 TYR 9 HB3 0.01 0.05 0.20 -0.04 2.98 3.20 1co4A8 TYR 9 HD2 0.01 0.01 -0.06 -0.04 7.15 7.07 1co4A8 TYR 9 HE2 0.01 -0.02 -0.06 -0.04 6.85 6.73 1co4A8 TYR 9 HB2 0.02 0.03 0.17 -0.04 3.06 3.24 1co4A8 ALA 10 H 0.13 0.75 0.33 -0.55 8.40 9.07 1co4A8 ALA 10 HA 0.09 0.10 0.37 -0.75 4.34 4.15 1co4A8 ALA 10 HB3 0.08 0.02 -0.19 -0.04 1.41 1.28 1co4A8 CYS 11 H 0.07 0.17 0.11 -0.55 8.50 8.30 1co4A8 CYS 11 HA -0.00 0.23 0.70 -0.75 4.58 4.75 1co4A8 CYS 11 HB3 0.05 0.13 -0.03 -0.04 2.97 3.08 1co4A8 CYS 11 HB2 -0.02 0.15 -0.10 -0.04 2.97 2.96 1co4A8 ASP 12 H -0.05 0.70 0.26 -0.55 8.40 8.77 1co4A8 ASP 12 HA -0.04 0.07 0.36 -0.75 4.63 4.26 1co4A8 ASP 12 HB3 -0.07 0.03 -0.04 -0.04 2.70 2.58 1co4A8 ASP 12 HB2 -0.05 0.13 0.21 -0.04 2.71 2.96 1co4A8 SER 13 H -0.21 0.07 -0.55 -0.55 8.46 7.23 1co4A8 SER 13 HA -0.21 0.20 0.54 -0.75 4.49 4.26 1co4A8 SER 13 HB3 -2.23 -0.02 -0.04 -0.04 3.93 1.60 1co4A8 SER 13 HB2 -0.52 0.01 0.02 -0.04 3.95 3.43 1co4A8 CYS 14 H -0.08 0.54 -0.53 -0.55 8.50 7.88 1co4A8 CYS 14 HA 0.08 0.09 0.90 -0.75 4.58 4.89 1co4A8 CYS 14 HB3 0.09 -0.05 -0.09 -0.04 2.97 2.88 1co4A8 CYS 14 HB2 0.06 0.04 0.05 -0.04 2.97 3.08 1co4A8 ILE 15 H -0.01 0.63 0.03 -0.55 8.25 8.35 1co4A8 ILE 15 HA -0.04 0.13 0.21 -0.75 4.18 3.73 1co4A8 ILE 15 HB -0.00 0.02 -0.17 -0.04 1.89 1.70 1co4A8 ILE 15 HG13 -0.04 0.04 -0.01 -0.04 1.21 1.16 1co4A8 ILE 15 HG23 -0.03 -0.00 -0.14 -0.04 0.93 0.72 1co4A8 ILE 15 HD13 0.03 0.01 -0.33 -0.04 0.88 0.56 1co4A8 ILE 15 HG12 -0.01 0.03 -0.09 -0.04 1.49 1.38 1co4A8 LYS 16 H -0.04 0.11 -0.49 -0.55 8.42 7.45 1co4A8 LYS 16 HA -0.04 0.05 0.29 -0.75 4.32 3.86 1co4A8 LYS 16 HB3 -0.02 -0.02 -0.11 -0.04 1.79 1.59 1co4A8 LYS 16 HG3 -0.03 -0.01 0.07 -0.04 1.46 1.45 1co4A8 LYS 16 HD3 -0.04 -0.03 0.05 -0.04 1.68 1.61 1co4A8 LYS 16 HE3 -0.03 0.01 0.03 -0.04 2.99 2.96 1co4A8 LYS 16 HB2 -0.05 0.03 0.01 -0.04 1.87 1.83 1co4A8 LYS 16 HG2 -0.03 -0.04 0.03 -0.04 1.46 1.37 1co4A8 LYS 16 HD2 -0.04 -0.06 0.07 -0.04 1.69 1.61 1co4A8 LYS 16 HE2 -0.03 -0.03 0.01 -0.04 2.99 2.90 1co4A8 SER 17 H -0.05 0.22 -0.91 -0.55 8.46 7.18 1co4A8 SER 17 HA -0.09 0.17 0.53 -0.75 4.49 4.34 1co4A8 SER 17 HB3 0.03 -0.00 -0.03 -0.04 3.93 3.88 1co4A8 SER 17 HB2 0.01 -0.14 -0.14 -0.04 3.95 3.64 1co4A8 HIS 18 H 0.06 -0.08 0.17 -0.55 8.41 8.02 1co4A8 HIS 18 HA 0.02 0.10 0.36 -0.75 4.63 4.36 1co4A8 HIS 18 HB3 0.02 -0.05 0.17 -0.04 3.20 3.29 1co4A8 HIS 18 HD2 0.01 -0.06 -0.02 -0.04 6.97 6.85 1co4A8 HIS 18 HE1 0.01 -0.02 -0.03 -0.04 7.75 7.66 1co4A8 HIS 18 HB2 0.01 -0.03 -0.31 -0.04 3.26 2.90 1co4A8 LYS 19 H 0.08 0.25 0.28 -0.55 8.42 8.48 1co4A8 LYS 19 HA 0.09 0.13 0.43 -0.75 4.32 4.23 1co4A8 LYS 19 HB3 0.27 0.04 0.16 -0.04 1.79 2.21 1co4A8 LYS 19 HG3 0.09 -0.01 0.10 -0.04 1.46 1.60 1co4A8 LYS 19 HD3 0.07 -0.12 0.02 -0.04 1.68 1.61 1co4A8 LYS 19 HE3 0.07 0.07 0.02 -0.04 2.99 3.11 1co4A8 LYS 19 HB2 0.10 -0.02 0.27 -0.04 1.87 2.18 1co4A8 LYS 19 HG2 0.20 0.05 0.08 -0.04 1.46 1.75 1co4A8 LYS 19 HD2 0.06 0.02 0.00 -0.04 1.69 1.74 1co4A8 LYS 19 HE2 0.05 -0.01 -0.02 -0.04 2.99 2.98 1co4A8 ALA 20 H 0.13 0.07 -0.63 -0.55 8.40 7.42 1co4A8 ALA 20 HA 0.10 0.00 0.37 -0.75 4.34 4.06 1co4A8 ALA 20 HB3 0.10 0.04 -0.03 -0.04 1.41 1.48 1co4A8 ALA 21 H 0.07 0.43 -0.48 -0.55 8.40 7.87 1co4A8 ALA 21 HA 0.00 0.01 0.30 -0.75 4.34 3.90 1co4A8 ALA 21 HB3 0.01 0.01 0.04 -0.04 1.41 1.43 1co4A8 GLN 22 H 0.03 0.46 -0.66 -0.55 8.47 7.76 1co4A8 GLN 22 HA 0.00 0.18 0.55 -0.75 4.36 4.34 1co4A8 GLN 22 HB3 -0.03 -0.08 0.10 -0.04 2.02 1.97 1co4A8 GLN 22 HG3 -0.01 0.08 0.11 -0.04 2.39 2.53 1co4A8 GLN 22 HE21 -0.01 -0.01 0.02 -0.04 6.97 6.92 1co4A8 GLN 22 HE22 -0.01 -0.04 0.01 -0.04 7.69 7.61 1co4A8 GLN 22 HB2 -0.01 -0.05 -0.30 -0.04 2.15 1.75 1co4A8 GLN 22 HG2 -0.02 -0.07 0.04 -0.04 2.40 2.31 1co4A8 CYS 23 H 0.04 0.56 0.09 -0.55 8.50 8.64 1co4A8 CYS 23 HA 0.07 -0.14 0.30 -0.75 4.58 4.06 1co4A8 CYS 23 HB3 0.06 0.33 0.20 -0.04 2.97 3.52 1co4A8 CYS 23 HB2 0.11 -0.14 0.16 -0.04 2.97 3.06 1co4A8 GLU 24 H -0.35 0.02 0.28 -0.55 8.60 8.01 1co4A8 GLU 24 HA -0.06 0.25 0.97 -0.75 4.29 4.71 1co4A8 GLU 24 HB3 -0.19 -0.08 0.12 -0.04 1.99 1.80 1co4A8 GLU 24 HG3 -0.05 0.03 0.20 -0.04 2.34 2.48 1co4A8 GLU 24 HB2 -0.09 0.15 0.06 -0.04 2.09 2.17 1co4A8 GLU 24 HG2 -0.08 -0.08 0.11 -0.04 2.34 2.25 1co4A8 HIS 25 H -0.12 -0.06 -0.09 -0.55 8.41 7.60 1co4A8 HIS 25 HA 0.01 0.11 0.46 -0.75 4.63 4.46 1co4A8 HIS 25 HB3 0.01 -0.01 0.03 -0.04 3.20 3.18 1co4A8 HIS 25 HD2 0.01 0.03 0.00 -0.04 6.97 6.97 1co4A8 HIS 25 HE1 0.02 0.06 -0.12 -0.04 7.75 7.66 1co4A8 HIS 25 HB2 0.01 -0.01 -0.13 -0.04 3.26 3.10 1co4A8 ASN 26 H 0.12 0.05 0.03 -0.55 8.53 8.18 1co4A8 ASN 26 HA 0.05 0.27 0.86 -0.75 4.76 5.18 1co4A8 ASN 26 HB3 0.03 -0.15 0.16 -0.04 2.79 2.79 1co4A8 ASN 26 HD21 0.02 -0.03 0.00 -0.04 7.03 6.98 1co4A8 ASN 26 HD22 0.01 -0.00 -0.04 -0.04 7.74 7.67 1co4A8 ASN 26 HB2 0.03 0.12 -0.09 -0.04 2.88 2.90 1co4A8 ASP 27 H 0.04 0.10 0.15 -0.55 8.40 8.15 1co4A8 ASP 27 HA 0.01 0.12 0.58 -0.75 4.63 4.59 1co4A8 ASP 27 HB3 0.01 0.03 0.11 -0.04 2.70 2.82 1co4A8 ASP 27 HB2 0.01 0.03 0.02 -0.04 2.71 2.73 1co4A8 ARG 28 H 0.00 0.26 0.20 -0.55 8.46 8.38 1co4A8 ARG 28 HA -0.02 0.04 0.34 -0.75 4.34 3.95 1co4A8 ARG 28 HB3 -0.05 -0.11 -0.05 -0.04 1.80 1.56 1co4A8 ARG 28 HG3 -0.05 0.04 0.18 -0.04 1.67 1.80 1co4A8 ARG 28 HD3 -0.07 -0.11 0.07 -0.04 3.22 3.07 1co4A8 ARG 28 HB2 -0.01 -0.05 -0.56 -0.04 1.90 1.24 1co4A8 ARG 28 HG2 -0.03 -0.02 0.18 -0.04 1.67 1.76 1co4A8 ARG 28 HD2 -0.12 -0.06 -0.05 -0.04 3.22 2.95 1co4A8 PRO 29 HA -0.02 0.13 0.60 -0.51 4.44 4.64 1co4A8 PRO 29 HB3 -0.02 0.06 0.10 -0.04 2.02 2.12 1co4A8 PRO 29 HG3 -0.02 0.08 0.08 -0.04 2.03 2.13 1co4A8 PRO 29 HD3 -0.02 0.15 0.20 -0.04 3.65 3.94 1co4A8 PRO 29 HB2 -0.03 0.09 -0.04 -0.04 2.28 2.26 1co4A8 PRO 29 HG2 -0.03 0.02 0.09 -0.04 2.03 2.07 1co4A8 PRO 29 HD2 -0.03 0.02 0.24 -0.04 3.68 3.87 1co4A8 LEU 30 H -0.02 0.18 0.20 -0.55 8.37 8.17 1co4A8 LEU 30 HA -0.01 0.02 0.80 -0.75 4.35 4.41 1co4A8 LEU 30 HB3 -0.04 -0.00 0.10 -0.04 1.64 1.66 1co4A8 LEU 30 HG -0.01 0.14 -0.13 -0.04 1.64 1.60 1co4A8 LEU 30 HD13 0.04 -0.01 -0.37 -0.04 0.93 0.56 1co4A8 LEU 30 HD23 0.02 0.00 -0.07 -0.04 0.89 0.80 1co4A8 LEU 30 HB2 -0.01 0.03 0.04 -0.04 1.64 1.67 1co4A8 LYS 31 H -0.01 0.62 0.41 -0.55 8.42 8.89 1co4A8 LYS 31 HA -0.06 0.17 0.93 -0.75 4.32 4.61 1co4A8 LYS 31 HB3 -0.01 0.13 0.06 -0.04 1.79 1.92 1co4A8 LYS 31 HG3 -0.03 -0.06 -0.11 -0.04 1.46 1.21 1co4A8 LYS 31 HD3 -0.02 0.07 0.02 -0.04 1.68 1.71 1co4A8 LYS 31 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.92 1co4A8 LYS 31 HB2 -0.02 -0.07 -0.00 -0.04 1.87 1.74 1co4A8 LYS 31 HG2 -0.03 0.06 -0.06 -0.04 1.46 1.38 1co4A8 LYS 31 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.59 1co4A8 LYS 31 HE2 -0.03 -0.01 0.08 -0.04 2.99 2.98 1co4A8 ILE 32 H -0.04 0.14 0.21 -0.55 8.25 8.01 1co4A8 ILE 32 HA 0.16 0.17 1.06 -0.75 4.18 4.81 1co4A8 ILE 32 HB -0.23 0.03 0.08 -0.04 1.89 1.73 1co4A8 ILE 32 HG13 0.01 -0.03 -0.12 -0.04 1.21 1.02 1co4A8 ILE 32 HG23 -0.31 0.01 -0.12 -0.04 0.93 0.48 1co4A8 ILE 32 HD13 0.18 -0.03 -0.22 -0.04 0.88 0.77 1co4A8 ILE 32 HG12 -0.02 -0.01 -0.04 -0.04 1.49 1.38 1co4A8 LEU 33 H 0.36 0.49 0.35 -0.55 8.37 9.01 1co4A8 LEU 33 HA 0.07 0.02 0.67 -0.75 4.35 4.36 1co4A8 LEU 33 HB3 0.08 0.00 -0.07 -0.04 1.64 1.61 1co4A8 LEU 33 HG 0.01 0.02 0.05 -0.04 1.64 1.68 1co4A8 LEU 33 HD13 -0.01 0.00 -0.06 -0.04 0.93 0.82 1co4A8 LEU 33 HD23 0.02 0.04 0.13 -0.04 0.89 1.04 1co4A8 LEU 33 HB2 0.09 -0.10 -0.37 -0.04 1.64 1.22 1co4A8 LYS 34 H 0.05 0.17 0.18 -0.55 8.42 8.27 1co4A8 LYS 34 HA 0.03 0.20 1.07 -0.75 4.32 4.86 1co4A8 LYS 34 HB3 0.06 -0.05 -0.01 -0.04 1.79 1.74 1co4A8 LYS 34 HG3 0.02 -0.14 -0.05 -0.04 1.46 1.25 1co4A8 LYS 34 HD3 0.02 0.01 -0.03 -0.04 1.68 1.64 1co4A8 LYS 34 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 1co4A8 LYS 34 HB2 0.03 0.06 0.18 -0.04 1.87 2.10 1co4A8 LYS 34 HG2 0.03 0.01 -0.21 -0.04 1.46 1.24 1co4A8 LYS 34 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.64 1co4A8 LYS 34 HE2 0.03 0.02 0.03 -0.04 2.99 3.02 1co4A8 PRO 35 HA 0.02 0.12 0.55 -0.51 4.44 4.62 1co4A8 PRO 35 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 1co4A8 PRO 35 HG3 -0.00 0.16 0.14 -0.04 2.03 2.29 1co4A8 PRO 35 HD3 0.00 0.21 0.36 -0.04 3.65 4.18 1co4A8 PRO 35 HB2 0.01 0.09 -0.08 -0.04 2.28 2.25 1co4A8 PRO 35 HG2 0.00 0.05 0.10 -0.04 2.03 2.15 1co4A8 PRO 35 HD2 0.01 0.03 0.27 -0.04 3.68 3.96 1co4A8 ARG 36 H 0.02 0.10 -0.04 -0.55 8.46 7.99 1co4A8 ARG 36 HA 0.01 -0.01 0.31 -0.75 4.34 3.90 1co4A8 ARG 36 HB3 0.01 -0.05 0.13 -0.04 1.80 1.85 1co4A8 ARG 36 HG3 0.02 -0.06 -0.10 -0.04 1.67 1.48 1co4A8 ARG 36 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 1co4A8 ARG 36 HB2 0.02 0.17 -0.43 -0.04 1.90 1.62 1co4A8 ARG 36 HG2 0.01 0.01 -0.03 -0.04 1.67 1.62 1co4A8 ARG 36 HD2 0.01 0.03 -0.04 -0.04 3.22 3.18 1co4A8 GLY 37 H 0.01 0.30 0.32 -0.55 8.43 8.52 1co4A8 GLY 37 HA2 0.01 -0.08 0.41 -0.51 4.01 3.84 1co4A8 GLY 37 HA3 0.01 0.10 0.27 -0.51 4.01 3.88 1co4A8 ARG 38 H 0.01 -0.01 0.10 -0.55 8.46 8.01 1co4A8 ARG 38 HA 0.01 0.10 0.45 -0.75 4.34 4.14 1co4A8 ARG 38 HB3 0.00 0.01 0.01 -0.04 1.80 1.78 1co4A8 ARG 38 HG3 0.00 0.01 0.02 -0.04 1.67 1.66 1co4A8 ARG 38 HD3 0.01 -0.03 -0.12 -0.04 3.22 3.03 1co4A8 ARG 38 HB2 0.01 -0.07 0.14 -0.04 1.90 1.94 1co4A8 ARG 38 HG2 0.00 -0.04 0.00 -0.04 1.67 1.59 1co4A8 ARG 38 HD2 0.01 0.03 -0.04 -0.04 3.22 3.17 1co4A8 PRO 39 HA 0.00 0.06 0.50 -0.51 4.44 4.50 1co4A8 PRO 39 HB3 0.00 -0.06 0.07 -0.04 2.02 1.99 1co4A8 PRO 39 HG3 0.00 -0.03 0.05 -0.04 2.03 2.01 1co4A8 PRO 39 HD3 0.01 0.01 0.20 -0.04 3.65 3.82 1co4A8 PRO 39 HB2 0.00 0.12 -0.06 -0.04 2.28 2.30 1co4A8 PRO 39 HG2 0.00 0.11 0.00 -0.04 2.03 2.11 1co4A8 PRO 39 HD2 0.01 0.01 0.13 -0.04 3.68 3.78 1co4A8 PRO 40 HA 0.00 0.17 0.50 -0.51 4.44 4.59 1co4A8 PRO 40 HB3 0.00 0.04 0.10 -0.04 2.02 2.12 1co4A8 PRO 40 HG3 0.00 0.04 0.11 -0.04 2.03 2.14 1co4A8 PRO 40 HD3 0.00 0.11 0.21 -0.04 3.65 3.94 1co4A8 PRO 40 HB2 0.00 -0.06 0.15 -0.04 2.28 2.33 1co4A8 PRO 40 HG2 0.00 -0.07 0.15 -0.04 2.03 2.08 1co4A8 PRO 40 HD2 0.00 0.07 0.16 -0.04 3.68 3.87 1co4A8 THR 41 H 0.00 -0.01 0.09 -0.55 8.28 7.81 1co4A8 THR 41 HA 0.00 0.01 0.33 -0.75 4.39 3.97 1co4A8 THR 41 HB 0.00 -0.00 -0.01 -0.04 4.32 4.27 1co4A8 THR 41 HG23 0.00 -0.03 0.05 -0.04 1.22 1.20 1co4A8 THR 42 H 0.00 -0.00 0.06 -0.55 8.28 7.79 1co4A8 THR 42 HA 0.00 0.02 0.19 -0.75 4.39 3.85 1co4A8 THR 42 HB 0.00 0.01 0.03 -0.04 4.32 4.32 1co4A8 THR 42 HG23 0.00 -0.01 -0.10 -0.04 1.22 1.06