============================================================================= 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 -3.064 4.482 -2.284 -99.200 -91.000 HIS 18 0.900 1.091 -1.996 10.024 -99.200 -91.000 HIS 25 0.900 4.369 12.019 9.200 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1co4A9 MET 1 HA 0.06 -0.28 0.24 -0.75 4.52 3.79 1co4A9 MET 1 HB3 0.05 -0.20 0.10 -0.04 2.03 1.95 1co4A9 MET 1 HG3 0.03 0.04 -0.04 -0.04 2.56 2.55 1co4A9 MET 1 HE3 0.00 0.02 0.02 -0.04 2.10 2.10 1co4A9 MET 1 HB2 0.03 -0.01 0.07 -0.04 2.15 2.20 1co4A9 MET 1 HG2 0.03 -0.10 -0.16 -0.04 2.63 2.37 1co4A9 VAL 2 H 0.07 0.29 -0.09 -0.55 8.24 7.97 1co4A9 VAL 2 HA 0.01 0.23 0.89 -0.75 4.13 4.50 1co4A9 VAL 2 HB 0.19 -0.12 0.04 -0.04 2.12 2.19 1co4A9 VAL 2 HG13 0.09 0.02 -0.13 -0.04 0.97 0.91 1co4A9 VAL 2 HG23 0.06 0.02 -0.27 -0.04 0.95 0.72 1co4A9 VAL 3 H -0.06 0.24 0.10 -0.55 8.24 7.97 1co4A9 VAL 3 HA -0.31 0.17 1.02 -0.75 4.13 4.25 1co4A9 VAL 3 HB -0.07 -0.03 0.09 -0.04 2.12 2.07 1co4A9 VAL 3 HG13 -0.10 -0.05 -0.19 -0.04 0.97 0.59 1co4A9 VAL 3 HG23 -0.06 -0.04 -0.08 -0.04 0.95 0.73 1co4A9 ILE 4 H -0.33 0.46 0.18 -0.55 8.25 8.01 1co4A9 ILE 4 HA -0.08 0.16 0.87 -0.75 4.18 4.38 1co4A9 ILE 4 HB -0.14 -0.04 0.06 -0.04 1.89 1.72 1co4A9 ILE 4 HG13 -0.07 0.25 -0.60 -0.04 1.21 0.75 1co4A9 ILE 4 HG23 -0.00 -0.01 -0.04 -0.04 0.93 0.84 1co4A9 ILE 4 HD13 -0.32 0.02 -0.34 -0.04 0.88 0.20 1co4A9 ILE 4 HG12 0.03 -0.01 -0.14 -0.04 1.49 1.33 1co4A9 ASN 5 H -0.04 0.20 0.09 -0.55 8.53 8.23 1co4A9 ASN 5 HA -0.03 0.05 0.40 -0.75 4.76 4.43 1co4A9 ASN 5 HB3 -0.03 0.14 0.02 -0.04 2.79 2.88 1co4A9 ASN 5 HD21 -0.01 -0.01 0.08 -0.04 7.03 7.05 1co4A9 ASN 5 HD22 -0.01 0.03 -0.00 -0.04 7.74 7.71 1co4A9 ASN 5 HB2 -0.02 0.01 0.00 -0.04 2.88 2.83 1co4A9 GLY 6 H -0.05 0.24 0.43 -0.55 8.43 8.51 1co4A9 GLY 6 HA2 -0.04 0.18 0.74 -0.51 4.01 4.38 1co4A9 GLY 6 HA3 -0.03 -0.03 0.36 -0.51 4.01 3.80 1co4A9 VAL 7 H -0.12 0.58 0.18 -0.55 8.24 8.33 1co4A9 VAL 7 HA -0.07 0.23 1.09 -0.75 4.13 4.62 1co4A9 VAL 7 HB -0.36 -0.05 0.12 -0.04 2.12 1.80 1co4A9 VAL 7 HG13 0.13 0.02 0.10 -0.04 0.97 1.18 1co4A9 VAL 7 HG23 -0.00 -0.01 0.00 -0.04 0.95 0.90 1co4A9 LYS 8 H -0.09 0.68 0.41 -0.55 8.42 8.86 1co4A9 LYS 8 HA -0.23 0.08 0.93 -0.75 4.32 4.34 1co4A9 LYS 8 HB3 -0.03 0.03 -0.04 -0.04 1.79 1.71 1co4A9 LYS 8 HG3 -0.04 0.01 -0.17 -0.04 1.46 1.22 1co4A9 LYS 8 HD3 -0.01 0.03 -0.12 -0.04 1.68 1.54 1co4A9 LYS 8 HE3 -0.03 0.01 -0.18 -0.04 2.99 2.74 1co4A9 LYS 8 HB2 -0.01 -0.01 -0.05 -0.04 1.87 1.76 1co4A9 LYS 8 HG2 -0.08 0.05 -0.77 -0.04 1.46 0.62 1co4A9 LYS 8 HD2 -0.00 -0.01 -0.12 -0.04 1.69 1.51 1co4A9 LYS 8 HE2 -0.01 -0.00 -0.09 -0.04 2.99 2.85 1co4A9 TYR 9 H -0.06 0.32 0.03 -0.55 8.29 8.02 1co4A9 TYR 9 HA -0.00 0.15 1.08 -0.75 4.56 5.03 1co4A9 TYR 9 HB3 0.01 0.01 0.24 -0.04 2.98 3.20 1co4A9 TYR 9 HD2 0.00 0.03 -0.09 -0.04 7.15 7.05 1co4A9 TYR 9 HE2 -0.00 -0.01 -0.04 -0.04 6.85 6.75 1co4A9 TYR 9 HB2 0.01 0.04 0.21 -0.04 3.06 3.28 1co4A9 ALA 10 H 0.12 0.65 0.37 -0.55 8.40 9.00 1co4A9 ALA 10 HA 0.09 0.07 0.37 -0.75 4.34 4.11 1co4A9 ALA 10 HB3 0.07 0.02 -0.08 -0.04 1.41 1.38 1co4A9 CYS 11 H 0.08 0.12 0.13 -0.55 8.50 8.29 1co4A9 CYS 11 HA 0.02 0.28 0.61 -0.75 4.58 4.73 1co4A9 CYS 11 HB3 0.08 0.10 -0.07 -0.04 2.97 3.04 1co4A9 CYS 11 HB2 0.01 0.07 -0.11 -0.04 2.97 2.91 1co4A9 ASP 12 H -0.01 0.70 0.27 -0.55 8.40 8.82 1co4A9 ASP 12 HA -0.00 0.09 0.39 -0.75 4.63 4.35 1co4A9 ASP 12 HB3 -0.02 0.01 -0.03 -0.04 2.70 2.63 1co4A9 ASP 12 HB2 -0.01 0.15 0.17 -0.04 2.71 2.98 1co4A9 SER 13 H -0.03 0.08 -0.37 -0.55 8.46 7.59 1co4A9 SER 13 HA -0.04 0.22 0.60 -0.75 4.49 4.51 1co4A9 SER 13 HB3 -0.20 0.01 0.02 -0.04 3.93 3.72 1co4A9 SER 13 HB2 -0.09 -0.02 0.05 -0.04 3.95 3.84 1co4A9 CYS 14 H 0.01 0.26 -0.78 -0.55 8.50 7.44 1co4A9 CYS 14 HA 0.04 0.25 0.76 -0.75 4.58 4.88 1co4A9 CYS 14 HB3 0.09 0.00 -0.24 -0.04 2.97 2.78 1co4A9 CYS 14 HB2 0.08 -0.03 0.03 -0.04 2.97 3.00 1co4A9 ILE 15 H 0.03 0.67 0.10 -0.55 8.25 8.50 1co4A9 ILE 15 HA -0.00 0.01 0.30 -0.75 4.18 3.74 1co4A9 ILE 15 HB 0.02 0.03 -0.10 -0.04 1.89 1.80 1co4A9 ILE 15 HG13 -0.04 -0.04 -0.07 -0.04 1.21 1.01 1co4A9 ILE 15 HG23 -0.01 0.00 -0.21 -0.04 0.93 0.67 1co4A9 ILE 15 HD13 0.03 0.03 -0.32 -0.04 0.88 0.58 1co4A9 ILE 15 HG12 -0.06 0.06 -0.08 -0.04 1.49 1.37 1co4A9 LYS 16 H 0.00 0.07 -0.45 -0.55 8.42 7.49 1co4A9 LYS 16 HA -0.01 0.09 0.38 -0.75 4.32 4.03 1co4A9 LYS 16 HB3 -0.00 -0.03 0.09 -0.04 1.79 1.81 1co4A9 LYS 16 HG3 0.00 0.01 -0.22 -0.04 1.46 1.22 1co4A9 LYS 16 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 1co4A9 LYS 16 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.94 1co4A9 LYS 16 HB2 -0.01 0.05 0.18 -0.04 1.87 2.05 1co4A9 LYS 16 HG2 -0.00 -0.02 -0.03 -0.04 1.46 1.36 1co4A9 LYS 16 HD2 -0.00 0.01 0.08 -0.04 1.69 1.74 1co4A9 LYS 16 HE2 0.00 0.01 0.01 -0.04 2.99 2.97 1co4A9 SER 17 H 0.03 0.15 -0.34 -0.55 8.46 7.75 1co4A9 SER 17 HA 0.04 0.24 0.81 -0.75 4.49 4.83 1co4A9 SER 17 HB3 0.04 -0.04 0.04 -0.04 3.93 3.94 1co4A9 SER 17 HB2 0.03 -0.02 -0.01 -0.04 3.95 3.90 1co4A9 HIS 18 H 0.06 0.15 -0.42 -0.55 8.41 7.65 1co4A9 HIS 18 HA 0.02 0.02 0.29 -0.75 4.63 4.20 1co4A9 HIS 18 HB3 0.01 0.12 0.21 -0.04 3.20 3.50 1co4A9 HIS 18 HD2 0.01 0.02 -0.04 -0.04 6.97 6.91 1co4A9 HIS 18 HE1 0.01 0.00 -0.02 -0.04 7.75 7.69 1co4A9 HIS 18 HB2 0.01 0.03 -0.42 -0.04 3.26 2.84 1co4A9 LYS 19 H 0.09 0.21 -0.53 -0.55 8.42 7.64 1co4A9 LYS 19 HA 0.07 0.13 0.26 -0.75 4.32 4.03 1co4A9 LYS 19 HB3 0.08 -0.08 0.02 -0.04 1.79 1.76 1co4A9 LYS 19 HG3 0.05 0.03 0.03 -0.04 1.46 1.54 1co4A9 LYS 19 HD3 0.06 0.01 -0.01 -0.04 1.68 1.70 1co4A9 LYS 19 HE3 0.03 -0.01 -0.00 -0.04 2.99 2.97 1co4A9 LYS 19 HB2 0.06 0.05 0.02 -0.04 1.87 1.96 1co4A9 LYS 19 HG2 0.09 -0.01 -0.05 -0.04 1.46 1.45 1co4A9 LYS 19 HD2 0.07 0.01 0.01 -0.04 1.69 1.74 1co4A9 LYS 19 HE2 0.04 -0.01 -0.00 -0.04 2.99 2.98 1co4A9 ALA 20 H 0.10 0.06 -1.15 -0.55 8.40 6.86 1co4A9 ALA 20 HA 0.08 -0.06 0.25 -0.75 4.34 3.86 1co4A9 ALA 20 HB3 0.06 0.02 -0.11 -0.04 1.41 1.34 1co4A9 ALA 21 H 0.13 0.45 -0.70 -0.55 8.40 7.73 1co4A9 ALA 21 HA 0.07 -0.02 0.27 -0.75 4.34 3.90 1co4A9 ALA 21 HB3 0.03 0.01 0.03 -0.04 1.41 1.43 1co4A9 GLN 22 H 0.05 0.53 -0.62 -0.55 8.47 7.89 1co4A9 GLN 22 HA 0.01 0.21 0.67 -0.75 4.36 4.50 1co4A9 GLN 22 HB3 0.01 -0.09 0.12 -0.04 2.02 2.02 1co4A9 GLN 22 HG3 -0.01 0.04 0.05 -0.04 2.39 2.42 1co4A9 GLN 22 HE21 -0.01 -0.07 0.02 -0.04 6.97 6.87 1co4A9 GLN 22 HE22 -0.00 -0.03 0.03 -0.04 7.69 7.64 1co4A9 GLN 22 HB2 0.01 -0.06 -0.26 -0.04 2.15 1.80 1co4A9 GLN 22 HG2 -0.01 -0.10 0.03 -0.04 2.40 2.28 1co4A9 CYS 23 H 0.04 0.70 0.14 -0.55 8.50 8.83 1co4A9 CYS 23 HA 0.04 -0.02 0.52 -0.75 4.58 4.37 1co4A9 CYS 23 HB3 0.07 0.28 0.24 -0.04 2.97 3.52 1co4A9 CYS 23 HB2 0.12 -0.19 0.02 -0.04 2.97 2.89 1co4A9 GLU 24 H -0.24 -0.10 0.15 -0.55 8.60 7.87 1co4A9 GLU 24 HA -0.04 0.14 0.37 -0.75 4.29 4.01 1co4A9 GLU 24 HB3 -0.07 0.29 -0.10 -0.04 1.99 2.07 1co4A9 GLU 24 HG3 -0.20 -0.08 -0.06 -0.04 2.34 1.95 1co4A9 GLU 24 HB2 -0.07 -0.06 0.16 -0.04 2.09 2.09 1co4A9 GLU 24 HG2 -0.27 -0.02 -0.17 -0.04 2.34 1.84 1co4A9 HIS 25 H 0.05 -0.04 0.12 -0.55 8.41 7.99 1co4A9 HIS 25 HA 0.01 0.19 0.67 -0.75 4.63 4.75 1co4A9 HIS 25 HB3 0.01 -0.02 -0.03 -0.04 3.20 3.11 1co4A9 HIS 25 HD2 0.02 -0.11 0.00 -0.04 6.97 6.84 1co4A9 HIS 25 HE1 0.01 0.05 -0.03 -0.04 7.75 7.74 1co4A9 HIS 25 HB2 0.01 -0.04 -0.08 -0.04 3.26 3.11 1co4A9 ASN 26 H 0.11 0.01 0.10 -0.55 8.53 8.21 1co4A9 ASN 26 HA 0.04 0.29 0.99 -0.75 4.76 5.33 1co4A9 ASN 26 HB3 0.03 -0.08 0.15 -0.04 2.79 2.85 1co4A9 ASN 26 HD21 0.02 0.05 0.09 -0.04 7.03 7.15 1co4A9 ASN 26 HD22 0.01 -0.01 -0.03 -0.04 7.74 7.67 1co4A9 ASN 26 HB2 0.03 0.09 -0.03 -0.04 2.88 2.93 1co4A9 ASP 27 H 0.05 0.07 0.12 -0.55 8.40 8.09 1co4A9 ASP 27 HA 0.02 0.13 0.44 -0.75 4.63 4.46 1co4A9 ASP 27 HB3 0.02 0.02 0.15 -0.04 2.70 2.85 1co4A9 ASP 27 HB2 0.01 0.04 0.18 -0.04 2.71 2.91 1co4A9 ARG 28 H 0.02 1.00 0.16 -0.55 8.46 9.09 1co4A9 ARG 28 HA -0.01 0.13 0.48 -0.75 4.34 4.19 1co4A9 ARG 28 HB3 -0.02 -0.08 -0.06 -0.04 1.80 1.59 1co4A9 ARG 28 HG3 -0.02 -0.08 -0.53 -0.04 1.67 0.99 1co4A9 ARG 28 HD3 -0.14 -0.19 -0.07 -0.04 3.22 2.78 1co4A9 ARG 28 HB2 0.03 -0.08 -0.37 -0.04 1.90 1.45 1co4A9 ARG 28 HG2 -0.04 0.16 0.22 -0.04 1.67 1.97 1co4A9 ARG 28 HD2 -0.36 -0.03 -0.10 -0.04 3.22 2.70 1co4A9 PRO 29 HA -0.01 0.11 0.63 -0.51 4.44 4.67 1co4A9 PRO 29 HB3 -0.01 0.07 0.11 -0.04 2.02 2.14 1co4A9 PRO 29 HG3 -0.01 0.09 0.09 -0.04 2.03 2.16 1co4A9 PRO 29 HD3 -0.01 0.19 0.18 -0.04 3.65 3.97 1co4A9 PRO 29 HB2 -0.02 0.08 0.04 -0.04 2.28 2.34 1co4A9 PRO 29 HG2 -0.02 -0.04 0.14 -0.04 2.03 2.07 1co4A9 PRO 29 HD2 -0.02 -0.03 0.21 -0.04 3.68 3.80 1co4A9 LEU 30 H -0.01 0.17 0.25 -0.55 8.37 8.24 1co4A9 LEU 30 HA 0.01 -0.01 0.55 -0.75 4.35 4.14 1co4A9 LEU 30 HB3 -0.04 0.01 0.02 -0.04 1.64 1.59 1co4A9 LEU 30 HG 0.00 0.07 -0.02 -0.04 1.64 1.65 1co4A9 LEU 30 HD13 0.05 -0.06 -0.24 -0.04 0.93 0.65 1co4A9 LEU 30 HD23 0.02 0.01 -0.06 -0.04 0.89 0.83 1co4A9 LEU 30 HB2 0.00 0.07 0.09 -0.04 1.64 1.76 1co4A9 LYS 31 H -0.01 0.66 0.36 -0.55 8.42 8.88 1co4A9 LYS 31 HA -0.08 0.15 0.85 -0.75 4.32 4.48 1co4A9 LYS 31 HB3 -0.01 0.02 -0.04 -0.04 1.79 1.73 1co4A9 LYS 31 HG3 -0.04 -0.06 0.20 -0.04 1.46 1.52 1co4A9 LYS 31 HD3 -0.02 0.01 0.00 -0.04 1.68 1.64 1co4A9 LYS 31 HE3 -0.03 -0.00 0.06 -0.04 2.99 2.98 1co4A9 LYS 31 HB2 -0.02 -0.05 -0.18 -0.04 1.87 1.57 1co4A9 LYS 31 HG2 -0.02 0.23 0.11 -0.04 1.46 1.74 1co4A9 LYS 31 HD2 -0.02 -0.06 -0.02 -0.04 1.69 1.55 1co4A9 LYS 31 HE2 -0.02 0.02 0.03 -0.04 2.99 2.98 1co4A9 ILE 32 H -0.08 0.16 0.21 -0.55 8.25 7.99 1co4A9 ILE 32 HA 0.04 0.16 1.04 -0.75 4.18 4.67 1co4A9 ILE 32 HB -0.28 0.03 0.08 -0.04 1.89 1.68 1co4A9 ILE 32 HG13 0.07 0.08 -0.36 -0.04 1.21 0.95 1co4A9 ILE 32 HG23 -0.33 -0.00 -0.09 -0.04 0.93 0.47 1co4A9 ILE 32 HD13 -0.00 -0.00 -0.04 -0.04 0.88 0.79 1co4A9 ILE 32 HG12 -0.03 -0.04 -0.02 -0.04 1.49 1.36 1co4A9 LEU 33 H 0.34 0.48 0.38 -0.55 8.37 9.03 1co4A9 LEU 33 HA 0.05 0.09 0.71 -0.75 4.35 4.44 1co4A9 LEU 33 HB3 0.07 -0.04 -0.17 -0.04 1.64 1.45 1co4A9 LEU 33 HG 0.01 -0.04 -0.34 -0.04 1.64 1.23 1co4A9 LEU 33 HD13 -0.02 -0.02 -0.04 -0.04 0.93 0.82 1co4A9 LEU 33 HD23 -0.05 -0.02 -0.14 -0.04 0.89 0.63 1co4A9 LEU 33 HB2 0.02 0.03 0.02 -0.04 1.64 1.66 1co4A9 LYS 34 H 0.02 0.32 0.25 -0.55 8.42 8.47 1co4A9 LYS 34 HA 0.01 0.14 0.97 -0.75 4.32 4.69 1co4A9 LYS 34 HB3 0.02 0.00 0.21 -0.04 1.79 1.98 1co4A9 LYS 34 HG3 0.09 0.08 -0.65 -0.04 1.46 0.94 1co4A9 LYS 34 HD3 0.03 0.16 0.05 -0.04 1.68 1.88 1co4A9 LYS 34 HE3 0.05 -0.05 -0.06 -0.04 2.99 2.89 1co4A9 LYS 34 HB2 0.02 0.35 0.16 -0.04 1.87 2.35 1co4A9 LYS 34 HG2 0.06 -0.02 -0.05 -0.04 1.46 1.40 1co4A9 LYS 34 HD2 0.06 -0.08 -0.24 -0.04 1.69 1.39 1co4A9 LYS 34 HE2 0.03 0.07 -0.02 -0.04 2.99 3.02 1co4A9 PRO 35 HA 0.00 0.12 0.53 -0.51 4.44 4.58 1co4A9 PRO 35 HB3 0.01 0.02 0.11 -0.04 2.02 2.11 1co4A9 PRO 35 HG3 -0.01 0.05 0.08 -0.04 2.03 2.12 1co4A9 PRO 35 HD3 -0.01 0.14 0.29 -0.04 3.65 4.03 1co4A9 PRO 35 HB2 0.00 -0.00 0.08 -0.04 2.28 2.33 1co4A9 PRO 35 HG2 -0.00 0.01 0.07 -0.04 2.03 2.07 1co4A9 PRO 35 HD2 0.00 0.10 0.28 -0.04 3.68 4.02 1co4A9 ARG 36 H 0.01 0.12 -0.40 -0.55 8.46 7.63 1co4A9 ARG 36 HA 0.00 0.18 0.60 -0.75 4.34 4.37 1co4A9 ARG 36 HB3 0.00 0.08 0.01 -0.04 1.80 1.85 1co4A9 ARG 36 HG3 0.01 0.01 -0.09 -0.04 1.67 1.55 1co4A9 ARG 36 HD3 0.00 0.02 -0.06 -0.04 3.22 3.14 1co4A9 ARG 36 HB2 0.01 -0.09 0.05 -0.04 1.90 1.82 1co4A9 ARG 36 HG2 0.00 -0.06 -0.25 -0.04 1.67 1.32 1co4A9 ARG 36 HD2 0.00 -0.02 -0.04 -0.04 3.22 3.12 1co4A9 GLY 37 H 0.00 0.06 0.02 -0.55 8.43 7.96 1co4A9 GLY 37 HA2 0.01 -0.07 0.38 -0.51 4.01 3.81 1co4A9 GLY 37 HA3 0.01 0.11 0.47 -0.51 4.01 4.09 1co4A9 ARG 38 H 0.00 0.04 0.10 -0.55 8.46 8.05 1co4A9 ARG 38 HA 0.00 0.01 0.39 -0.75 4.34 3.99 1co4A9 ARG 38 HB3 0.00 0.03 0.10 -0.04 1.80 1.89 1co4A9 ARG 38 HG3 0.00 -0.02 -0.03 -0.04 1.67 1.58 1co4A9 ARG 38 HD3 -0.00 0.06 0.01 -0.04 3.22 3.24 1co4A9 ARG 38 HB2 0.00 0.09 -0.18 -0.04 1.90 1.77 1co4A9 ARG 38 HG2 0.00 -0.05 0.08 -0.04 1.67 1.67 1co4A9 ARG 38 HD2 -0.00 -0.02 0.00 -0.04 3.22 3.16 1co4A9 PRO 39 HA 0.00 0.18 0.45 -0.51 4.44 4.57 1co4A9 PRO 39 HB3 0.00 -0.01 0.04 -0.04 2.02 2.01 1co4A9 PRO 39 HG3 0.00 -0.02 0.02 -0.04 2.03 2.00 1co4A9 PRO 39 HD3 0.00 -0.06 0.08 -0.04 3.65 3.63 1co4A9 PRO 39 HB2 0.00 0.14 0.01 -0.04 2.28 2.39 1co4A9 PRO 39 HG2 0.00 0.05 0.03 -0.04 2.03 2.07 1co4A9 PRO 39 HD2 0.00 0.08 0.16 -0.04 3.68 3.88 1co4A9 PRO 40 HA -0.00 0.14 0.51 -0.51 4.44 4.57 1co4A9 PRO 40 HB3 -0.00 0.09 0.13 -0.04 2.02 2.19 1co4A9 PRO 40 HG3 -0.00 0.10 0.07 -0.04 2.03 2.16 1co4A9 PRO 40 HD3 -0.00 0.22 0.20 -0.04 3.65 4.03 1co4A9 PRO 40 HB2 0.00 -0.21 0.08 -0.04 2.28 2.11 1co4A9 PRO 40 HG2 0.00 0.00 0.03 -0.04 2.03 2.02 1co4A9 PRO 40 HD2 0.00 0.07 0.17 -0.04 3.68 3.88 1co4A9 THR 41 H -0.00 0.08 0.16 -0.55 8.28 7.98 1co4A9 THR 41 HA 0.00 0.25 0.85 -0.75 4.39 4.74 1co4A9 THR 41 HB 0.00 -0.01 0.02 -0.04 4.32 4.29 1co4A9 THR 41 HG23 0.00 0.00 0.07 -0.04 1.22 1.26 1co4A9 THR 42 H 0.00 0.01 -0.02 -0.55 8.28 7.73 1co4A9 THR 42 HA 0.00 0.25 0.64 -0.75 4.39 4.54 1co4A9 THR 42 HB 0.00 -0.01 0.00 -0.04 4.32 4.27 1co4A9 THR 42 HG23 0.00 0.01 0.05 -0.04 1.22 1.24