============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TYR 13 0.840 4.355 7.944 -1.145 -99.200 -91.000 PHE 22 1.000 -1.988 4.043 2.039 -99.200 -91.000 HIS 29 0.900 6.317 -0.047 -1.043 -99.200 -91.000 HIS 31 0.900 -4.233 -0.421 0.667 -99.200 -91.000 HIS 35 0.900 -5.389 -3.380 -3.764 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ep1A5 GLY 1 HA2 -0.00 -0.05 0.16 -0.51 4.01 3.61 2ep1A5 GLY 1 HA3 -0.00 -0.03 0.11 -0.51 4.01 3.58 2ep1A5 SER 2 H -0.00 0.14 0.02 -0.55 8.46 8.07 2ep1A5 SER 2 HA -0.00 0.19 0.92 -0.75 4.49 4.85 2ep1A5 SER 2 HB2 -0.00 -0.03 0.12 -0.04 3.95 4.00 2ep1A5 SER 2 HB3 -0.00 -0.03 0.02 -0.04 3.93 3.88 2ep1A5 SER 3 H -0.00 0.29 0.00 -0.55 8.46 8.20 2ep1A5 SER 3 HA -0.00 0.08 0.79 -0.75 4.49 4.61 2ep1A5 SER 3 HB2 -0.00 -0.03 -0.24 -0.04 3.95 3.64 2ep1A5 SER 3 HB3 -0.00 0.01 0.05 -0.04 3.93 3.95 2ep1A5 GLY 4 H -0.00 0.10 0.08 -0.55 8.43 8.06 2ep1A5 GLY 4 HA2 -0.00 0.20 0.72 -0.51 4.01 4.42 2ep1A5 GLY 4 HA3 -0.00 -0.00 0.31 -0.51 4.01 3.81 2ep1A5 SER 5 H -0.00 0.21 0.11 -0.55 8.46 8.23 2ep1A5 SER 5 HA -0.00 0.11 0.71 -0.75 4.49 4.55 2ep1A5 SER 5 HB2 -0.00 0.12 -0.17 -0.04 3.95 3.85 2ep1A5 SER 5 HB3 -0.00 -0.01 0.04 -0.04 3.93 3.92 2ep1A5 SER 6 H -0.00 0.21 0.04 -0.55 8.46 8.15 2ep1A5 SER 6 HA -0.01 0.16 0.88 -0.75 4.49 4.78 2ep1A5 SER 6 HB2 -0.00 0.02 0.21 -0.04 3.95 4.13 2ep1A5 SER 6 HB3 -0.00 0.02 0.07 -0.04 3.93 3.97 2ep1A5 GLY 7 H -0.01 0.28 -0.09 -0.55 8.43 8.07 2ep1A5 GLY 7 HA2 -0.01 0.08 0.55 -0.51 4.01 4.12 2ep1A5 GLY 7 HA3 -0.01 0.04 0.27 -0.51 4.01 3.80 2ep1A5 THR 8 H -0.01 0.21 0.11 -0.55 8.28 8.04 2ep1A5 THR 8 HA -0.02 0.20 0.91 -0.75 4.39 4.74 2ep1A5 THR 8 HB -0.01 0.00 -0.05 -0.04 4.32 4.22 2ep1A5 THR 8 HG23 -0.02 0.04 -0.06 -0.04 1.22 1.14 2ep1A5 GLY 9 H -0.02 0.16 0.09 -0.55 8.43 8.11 2ep1A5 GLY 9 HA2 -0.02 0.04 0.39 -0.51 4.01 3.91 2ep1A5 GLY 9 HA3 -0.04 0.03 0.35 -0.51 4.01 3.84 2ep1A5 GLU 10 H -0.02 0.23 0.25 -0.55 8.60 8.52 2ep1A5 GLU 10 HA -0.02 0.17 0.77 -0.75 4.29 4.46 2ep1A5 GLU 10 HB2 -0.01 -0.02 0.23 -0.04 2.09 2.25 2ep1A5 GLU 10 HB3 -0.01 -0.00 0.08 -0.04 1.99 2.01 2ep1A5 GLU 10 HG2 -0.01 0.01 -0.05 -0.04 2.34 2.24 2ep1A5 GLU 10 HG3 -0.01 0.06 -0.21 -0.04 2.34 2.14 2ep1A5 LYS 11 H -0.03 0.31 0.01 -0.55 8.42 8.16 2ep1A5 LYS 11 HA 0.01 0.18 0.88 -0.75 4.32 4.64 2ep1A5 LYS 11 HB2 -0.05 -0.02 -0.10 -0.04 1.87 1.66 2ep1A5 LYS 11 HB3 0.02 0.08 -0.22 -0.04 1.79 1.62 2ep1A5 LYS 11 HG2 -0.02 -0.06 -0.17 -0.04 1.46 1.17 2ep1A5 LYS 11 HG3 0.00 0.06 -0.12 -0.04 1.46 1.37 2ep1A5 LYS 11 HD2 -0.02 -0.04 -0.59 -0.04 1.69 1.00 2ep1A5 LYS 11 HD3 -0.04 0.05 -0.30 -0.04 1.68 1.34 2ep1A5 LYS 11 HE2 -0.01 0.03 -0.11 -0.04 2.99 2.85 2ep1A5 LYS 11 HE3 -0.03 -0.04 -0.10 -0.04 2.99 2.78 2ep1A5 PRO 12 HA -0.00 0.06 0.40 -0.51 4.44 4.39 2ep1A5 PRO 12 HB2 -0.05 -0.09 0.19 -0.04 2.28 2.28 2ep1A5 PRO 12 HB3 -0.02 0.02 0.15 -0.04 2.02 2.14 2ep1A5 PRO 12 HG2 0.33 0.18 0.19 -0.04 2.03 2.69 2ep1A5 PRO 12 HG3 0.13 0.02 0.14 -0.04 2.03 2.27 2ep1A5 PRO 12 HD2 0.08 0.02 0.10 -0.04 3.68 3.84 2ep1A5 PRO 12 HD3 0.05 0.15 0.19 -0.04 3.65 4.00 2ep1A5 TYR 13 H -0.25 0.09 0.13 -0.55 8.29 7.70 2ep1A5 TYR 13 HA 0.04 0.00 0.28 -0.75 4.56 4.12 2ep1A5 TYR 13 HB2 0.15 0.21 -0.22 -0.04 3.06 3.16 2ep1A5 TYR 13 HB3 0.09 -0.08 0.07 -0.04 2.98 3.02 2ep1A5 TYR 13 HD2 -0.02 0.11 -0.18 -0.04 7.15 7.02 2ep1A5 TYR 13 HE2 -0.03 0.08 0.01 -0.04 6.85 6.88 2ep1A5 GLU 14 H 0.04 -0.02 -0.31 -0.55 8.60 7.77 2ep1A5 GLU 14 HA 0.05 0.23 0.69 -0.75 4.29 4.51 2ep1A5 GLU 14 HB2 0.01 0.03 0.08 -0.04 2.09 2.17 2ep1A5 GLU 14 HB3 0.01 -0.10 0.03 -0.04 1.99 1.89 2ep1A5 GLU 14 HG2 0.00 -0.00 -0.09 -0.04 2.34 2.21 2ep1A5 GLU 14 HG3 -0.02 0.14 0.06 -0.04 2.34 2.48 2ep1A5 CYS 15 H 0.10 0.75 0.21 -0.55 8.50 9.02 2ep1A5 CYS 15 HA 0.16 0.02 0.38 -0.75 4.58 4.39 2ep1A5 CYS 15 HB2 0.28 0.14 0.10 -0.04 2.97 3.44 2ep1A5 CYS 15 HB3 0.17 -0.34 0.21 -0.04 2.97 2.96 2ep1A5 SER 16 H 0.06 0.18 0.17 -0.55 8.46 8.33 2ep1A5 SER 16 HA 0.01 0.18 0.50 -0.75 4.49 4.42 2ep1A5 SER 16 HB2 0.02 0.05 0.13 -0.04 3.95 4.10 2ep1A5 SER 16 HB3 0.00 -0.00 0.13 -0.04 3.93 4.02 2ep1A5 ASP 17 H -0.01 -0.11 -0.90 -0.55 8.40 6.83 2ep1A5 ASP 17 HA -0.14 0.27 0.90 -0.75 4.63 4.91 2ep1A5 ASP 17 HB2 -0.51 -0.13 -0.00 -0.04 2.71 2.03 2ep1A5 ASP 17 HB3 -1.24 0.04 -0.05 -0.04 2.70 1.41 2ep1A5 CYS 18 H 0.05 -0.17 0.06 -0.55 8.50 7.89 2ep1A5 CYS 18 HA 0.05 0.29 0.94 -0.75 4.58 5.11 2ep1A5 CYS 18 HB2 0.16 0.05 0.05 -0.04 2.97 3.18 2ep1A5 CYS 18 HB3 0.31 0.07 -0.06 -0.04 2.97 3.26 2ep1A5 GLY 19 H 0.09 -0.08 0.23 -0.55 8.43 8.12 2ep1A5 GLY 19 HA2 0.01 0.12 0.36 -0.51 4.01 3.99 2ep1A5 GLY 19 HA3 0.00 0.19 0.83 -0.51 4.01 4.52 2ep1A5 LYS 20 H 0.02 -0.03 0.08 -0.55 8.42 7.93 2ep1A5 LYS 20 HA -0.20 0.06 0.37 -0.75 4.32 3.80 2ep1A5 LYS 20 HB2 -0.17 -0.03 0.16 -0.04 1.87 1.79 2ep1A5 LYS 20 HB3 -0.30 -0.03 0.02 -0.04 1.79 1.44 2ep1A5 LYS 20 HG2 -1.07 0.12 0.05 -0.04 1.46 0.53 2ep1A5 LYS 20 HG3 -0.34 0.00 0.14 -0.04 1.46 1.23 2ep1A5 LYS 20 HD2 -0.77 -0.04 0.02 -0.04 1.69 0.86 2ep1A5 LYS 20 HD3 -0.05 0.03 0.03 -0.04 1.68 1.65 2ep1A5 LYS 20 HE2 -0.04 0.02 0.03 -0.04 2.99 2.96 2ep1A5 LYS 20 HE3 -0.01 -0.03 0.04 -0.04 2.99 2.94 2ep1A5 SER 21 H -0.53 0.12 0.25 -0.55 8.46 7.75 2ep1A5 SER 21 HA -0.15 0.25 0.90 -0.75 4.49 4.74 2ep1A5 SER 21 HB2 -0.09 0.06 -0.03 -0.04 3.95 3.86 2ep1A5 SER 21 HB3 -0.11 0.12 0.00 -0.04 3.93 3.90 2ep1A5 PHE 22 H 0.10 0.74 0.02 -0.55 8.34 8.65 2ep1A5 PHE 22 HA -0.03 0.07 0.66 -0.75 4.62 4.56 2ep1A5 PHE 22 HB2 -0.04 0.07 -0.08 -0.04 3.15 3.06 2ep1A5 PHE 22 HB3 -0.12 -0.18 0.01 -0.04 3.06 2.73 2ep1A5 PHE 22 HD2 -0.03 0.11 -0.09 -0.04 7.28 7.22 2ep1A5 PHE 22 HE2 -0.17 -0.04 -0.07 -0.04 7.38 7.06 2ep1A5 PHE 22 HZ -0.51 -0.04 -0.02 -0.04 7.32 6.72 2ep1A5 ILE 23 H 0.09 0.09 0.12 -0.55 8.25 7.99 2ep1A5 ILE 23 HA 0.15 0.19 0.66 -0.75 4.18 4.43 2ep1A5 ILE 23 HB 0.01 -0.05 0.10 -0.04 1.89 1.91 2ep1A5 ILE 23 HG12 0.02 -0.02 -0.01 -0.04 1.49 1.44 2ep1A5 ILE 23 HG13 0.02 0.04 -0.00 -0.04 1.21 1.23 2ep1A5 ILE 23 HG23 0.04 0.01 -0.02 -0.04 0.93 0.92 2ep1A5 ILE 23 HD13 0.05 0.02 -0.14 -0.04 0.88 0.76 2ep1A5 LYS 24 H -0.13 0.01 0.08 -0.55 8.42 7.81 2ep1A5 LYS 24 HA -0.37 0.27 0.87 -0.75 4.32 4.34 2ep1A5 LYS 24 HB2 -0.15 -0.06 0.08 -0.04 1.87 1.70 2ep1A5 LYS 24 HB3 -0.17 -0.07 0.09 -0.04 1.79 1.60 2ep1A5 LYS 24 HG2 -0.06 -0.01 -0.18 -0.04 1.46 1.16 2ep1A5 LYS 24 HG3 -0.05 0.05 0.01 -0.04 1.46 1.42 2ep1A5 LYS 24 HD2 -0.02 0.07 -0.01 -0.04 1.69 1.69 2ep1A5 LYS 24 HD3 -0.05 -0.03 0.04 -0.04 1.68 1.60 2ep1A5 LYS 24 HE2 -0.03 0.13 -0.06 -0.04 2.99 2.99 2ep1A5 LYS 24 HE3 0.01 0.05 0.02 -0.04 2.99 3.03 2ep1A5 LYS 25 H -0.43 0.22 0.15 -0.55 8.42 7.80 2ep1A5 LYS 25 HA -0.66 0.15 0.41 -0.75 4.32 3.46 2ep1A5 LYS 25 HB2 0.14 0.07 0.14 -0.04 1.87 2.18 2ep1A5 LYS 25 HB3 -0.04 -0.02 0.11 -0.04 1.79 1.80 2ep1A5 LYS 25 HG2 -0.35 -0.01 -0.09 -0.04 1.46 0.97 2ep1A5 LYS 25 HG3 0.12 0.02 0.04 -0.04 1.46 1.60 2ep1A5 LYS 25 HD2 0.13 0.00 0.00 -0.04 1.69 1.79 2ep1A5 LYS 25 HD3 0.16 0.04 -0.01 -0.04 1.68 1.83 2ep1A5 LYS 25 HE2 0.16 0.01 0.01 -0.04 2.99 3.13 2ep1A5 LYS 25 HE3 0.25 -0.03 0.03 -0.04 2.99 3.21 2ep1A5 SER 26 H -0.15 0.11 -0.03 -0.55 8.46 7.85 2ep1A5 SER 26 HA 0.06 0.10 0.35 -0.75 4.49 4.26 2ep1A5 SER 26 HB2 -0.03 0.01 0.11 -0.04 3.95 4.01 2ep1A5 SER 26 HB3 -0.06 0.01 -0.01 -0.04 3.93 3.83 2ep1A5 GLN 27 H -0.20 -0.00 -0.41 -0.55 8.47 7.31 2ep1A5 GLN 27 HA -0.16 0.08 0.30 -0.75 4.36 3.82 2ep1A5 GLN 27 HB2 -0.16 0.06 0.08 -0.04 2.15 2.08 2ep1A5 GLN 27 HB3 -0.02 0.08 -0.03 -0.04 2.02 2.01 2ep1A5 GLN 27 HG2 -0.06 -0.05 0.03 -0.04 2.40 2.28 2ep1A5 GLN 27 HG3 0.01 -0.06 0.06 -0.04 2.39 2.36 2ep1A5 GLN 27 HE21 0.02 -0.03 0.02 -0.04 6.97 6.95 2ep1A5 GLN 27 HE22 0.04 0.05 0.01 -0.04 7.69 7.75 2ep1A5 LEU 28 H -0.46 0.29 -0.37 -0.55 8.37 7.29 2ep1A5 LEU 28 HA -1.54 0.05 0.42 -0.75 4.35 2.52 2ep1A5 LEU 28 HB2 -0.06 0.08 0.06 -0.04 1.64 1.68 2ep1A5 LEU 28 HB3 -0.25 0.12 0.18 -0.04 1.64 1.64 2ep1A5 LEU 28 HG -0.03 -0.04 -0.33 -0.04 1.64 1.20 2ep1A5 LEU 28 HD13 0.23 0.01 -0.07 -0.04 0.93 1.05 2ep1A5 LEU 28 HD23 0.13 -0.01 -0.10 -0.04 0.89 0.87 2ep1A5 HIS 29 H -0.30 0.55 0.01 -0.55 8.41 8.12 2ep1A5 HIS 29 HA -0.03 0.00 0.31 -0.75 4.63 4.16 2ep1A5 HIS 29 HB2 -0.08 0.06 0.18 -0.04 3.26 3.39 2ep1A5 HIS 29 HB3 -0.04 0.02 -0.05 -0.04 3.20 3.09 2ep1A5 HIS 29 HD2 -0.03 -0.09 -0.13 -0.04 6.97 6.68 2ep1A5 HIS 29 HE1 0.03 0.01 -0.03 -0.04 7.75 7.72 2ep1A5 VAL 30 H -0.03 0.56 -0.16 -0.55 8.24 8.05 2ep1A5 VAL 30 HA -0.02 0.01 0.32 -0.75 4.13 3.68 2ep1A5 VAL 30 HB -0.08 0.14 0.05 -0.04 2.12 2.18 2ep1A5 VAL 30 HG13 -0.02 -0.01 -0.03 -0.04 0.97 0.87 2ep1A5 VAL 30 HG23 -0.03 0.04 0.01 -0.04 0.95 0.92 2ep1A5 HIS 31 H -0.12 0.33 -0.49 -0.55 8.41 7.58 2ep1A5 HIS 31 HA -0.05 0.05 0.54 -0.75 4.63 4.42 2ep1A5 HIS 31 HB2 -0.05 -0.01 0.12 -0.04 3.26 3.29 2ep1A5 HIS 31 HB3 -0.34 0.18 0.28 -0.04 3.20 3.28 2ep1A5 HIS 31 HD2 0.23 -0.01 -0.06 -0.04 6.97 7.09 2ep1A5 HIS 31 HE1 0.08 0.01 -0.01 -0.04 7.75 7.78 2ep1A5 GLN 32 H 0.08 0.67 0.14 -0.55 8.47 8.81 2ep1A5 GLN 32 HA 0.04 -0.07 0.34 -0.75 4.36 3.91 2ep1A5 GLN 32 HB2 0.10 0.13 0.02 -0.04 2.15 2.35 2ep1A5 GLN 32 HB3 0.13 -0.01 0.02 -0.04 2.02 2.12 2ep1A5 GLN 32 HG2 0.30 -0.10 0.03 -0.04 2.40 2.59 2ep1A5 GLN 32 HG3 0.11 0.09 -0.19 -0.04 2.39 2.36 2ep1A5 GLN 32 HE21 0.20 -0.10 -0.02 -0.04 6.97 7.01 2ep1A5 GLN 32 HE22 0.11 0.02 -0.04 -0.04 7.69 7.74 2ep1A5 ARG 33 H -0.06 0.31 -1.12 -0.55 8.46 7.04 2ep1A5 ARG 33 HA -0.03 -0.02 0.25 -0.75 4.34 3.78 2ep1A5 ARG 33 HB2 -0.07 0.25 0.07 -0.04 1.90 2.11 2ep1A5 ARG 33 HB3 -0.04 -0.09 0.05 -0.04 1.80 1.68 2ep1A5 ARG 33 HG2 -0.02 -0.08 -0.05 -0.04 1.67 1.47 2ep1A5 ARG 33 HG3 -0.03 0.06 0.09 -0.04 1.67 1.75 2ep1A5 ARG 33 HD2 -0.03 -0.03 0.01 -0.04 3.22 3.12 2ep1A5 ARG 33 HD3 -0.03 -0.09 -0.05 -0.04 3.22 3.01 2ep1A5 ILE 34 H -0.26 0.65 -0.46 -0.55 8.25 7.62 2ep1A5 ILE 34 HA -0.12 0.11 0.66 -0.75 4.18 4.08 2ep1A5 ILE 34 HB -0.21 -0.05 0.07 -0.04 1.89 1.66 2ep1A5 ILE 34 HG12 -0.80 0.27 0.03 -0.04 1.49 0.94 2ep1A5 ILE 34 HG13 -0.92 0.00 -0.20 -0.04 1.21 0.06 2ep1A5 ILE 34 HG23 -0.17 0.03 0.03 -0.04 0.93 0.77 2ep1A5 ILE 34 HD13 -0.45 -0.03 -0.06 -0.04 0.88 0.30 2ep1A5 HIS 35 H -0.19 0.39 -0.05 -0.55 8.41 8.01 2ep1A5 HIS 35 HA -0.03 0.08 0.58 -0.75 4.63 4.52 2ep1A5 HIS 35 HB2 -0.02 0.06 0.17 -0.04 3.26 3.44 2ep1A5 HIS 35 HB3 0.01 -0.01 0.21 -0.04 3.20 3.37 2ep1A5 HIS 35 HD2 0.08 -0.05 -0.01 -0.04 6.97 6.94 2ep1A5 HIS 35 HE1 0.05 0.05 -0.12 -0.04 7.75 7.69 2ep1A5 THR 36 H -0.01 0.18 -1.09 -0.55 8.28 6.82 2ep1A5 THR 36 HA 0.03 0.18 0.81 -0.75 4.39 4.66 2ep1A5 THR 36 HB 0.01 -0.05 0.13 -0.04 4.32 4.36 2ep1A5 THR 36 HG23 0.03 0.01 -0.32 -0.04 1.22 0.90 2ep1A5 GLY 37 H 0.02 0.13 -0.14 -0.55 8.43 7.89 2ep1A5 GLY 37 HA2 -0.00 0.14 0.65 -0.51 4.01 4.29 2ep1A5 GLY 37 HA3 0.00 0.03 0.29 -0.51 4.01 3.82 2ep1A5 GLU 38 H 0.00 0.15 0.06 -0.55 8.60 8.26 2ep1A5 GLU 38 HA 0.01 0.18 0.89 -0.75 4.29 4.61 2ep1A5 GLU 38 HB2 0.00 -0.04 0.20 -0.04 2.09 2.21 2ep1A5 GLU 38 HB3 0.00 0.05 0.12 -0.04 1.99 2.11 2ep1A5 GLU 38 HG2 0.00 0.02 -0.04 -0.04 2.34 2.28 2ep1A5 GLU 38 HG3 0.00 0.03 -0.20 -0.04 2.34 2.12 2ep1A5 ASN 39 H 0.01 0.20 -0.12 -0.55 8.53 8.07 2ep1A5 ASN 39 HA 0.01 0.03 0.28 -0.75 4.76 4.32 2ep1A5 ASN 39 HB2 0.01 -0.03 0.01 -0.04 2.88 2.82 2ep1A5 ASN 39 HB3 0.01 0.07 -0.06 -0.04 2.79 2.76 2ep1A5 ASN 39 HD21 0.01 0.04 0.02 -0.04 7.03 7.06 2ep1A5 ASN 39 HD22 0.02 -0.01 0.00 -0.04 7.74 7.70 2ep1A5 PRO 40 HA 0.00 0.10 0.51 -0.51 4.44 4.55 2ep1A5 PRO 40 HB2 0.00 0.03 0.15 -0.04 2.28 2.42 2ep1A5 PRO 40 HB3 0.00 0.02 0.15 -0.04 2.02 2.14 2ep1A5 PRO 40 HG2 0.00 0.01 0.16 -0.04 2.03 2.17 2ep1A5 PRO 40 HG3 0.00 0.02 0.11 -0.04 2.03 2.12 2ep1A5 PRO 40 HD2 0.01 0.05 0.17 -0.04 3.68 3.87 2ep1A5 PRO 40 HD3 0.00 0.11 0.17 -0.04 3.65 3.90 2ep1A5 SER 41 H 0.00 0.27 0.29 -0.55 8.46 8.48 2ep1A5 SER 41 HA 0.00 0.17 0.81 -0.75 4.49 4.73 2ep1A5 SER 41 HB2 0.00 0.03 0.01 -0.04 3.95 3.95 2ep1A5 SER 41 HB3 0.00 -0.12 0.07 -0.04 3.93 3.84 2ep1A5 GLY 42 H 0.00 0.10 0.03 -0.55 8.43 8.02 2ep1A5 GLY 42 HA2 0.00 0.25 0.92 -0.51 4.01 4.67 2ep1A5 GLY 42 HA3 0.00 -0.03 0.36 -0.51 4.01 3.83 2ep1A5 PRO 43 HA 0.00 0.04 0.39 -0.51 4.44 4.36 2ep1A5 PRO 43 HB2 0.00 0.09 -0.10 -0.04 2.28 2.23 2ep1A5 PRO 43 HB3 0.00 0.01 0.03 -0.04 2.02 2.01 2ep1A5 PRO 43 HG2 0.00 0.04 -0.10 -0.04 2.03 1.93 2ep1A5 PRO 43 HG3 0.00 0.05 -0.05 -0.04 2.03 2.00 2ep1A5 PRO 43 HD2 0.00 0.28 -0.05 -0.04 3.68 3.87 2ep1A5 PRO 43 HD3 0.00 -0.04 -0.48 -0.04 3.65 3.09 2ep1A5 SER 44 H 0.00 0.10 0.09 -0.55 8.46 8.11 2ep1A5 SER 44 HA 0.00 0.06 0.49 -0.75 4.49 4.28 2ep1A5 SER 44 HB2 0.00 0.02 0.13 -0.04 3.95 4.05 2ep1A5 SER 44 HB3 0.00 0.02 0.11 -0.04 3.93 4.02 2ep1A5 SER 45 H 0.00 0.19 0.20 -0.55 8.46 8.30 2ep1A5 SER 45 HA 0.00 0.07 0.29 -0.75 4.49 4.10 2ep1A5 SER 45 HB2 0.00 -0.06 0.09 -0.04 3.95 3.94 2ep1A5 SER 45 HB3 -0.00 0.01 0.03 -0.04 3.93 3.93 2ep1A5 GLY 46 H 0.00 0.03 -0.31 -0.55 8.43 7.61 2ep1A5 GLY 46 HA2 -0.00 0.00 0.10 -0.51 4.01 3.60 2ep1A5 GLY 46 HA3 -0.00 0.25 0.46 -0.51 4.01 4.21