============================================================================= 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 4.349 8.153 -1.447 -99.200 -91.000 PHE 22 1.000 -2.131 4.036 1.774 -99.200 -91.000 HIS 29 0.900 6.838 -0.064 -1.108 -99.200 -91.000 HIS 31 0.900 -3.907 -0.334 0.412 -99.200 -91.000 HIS 35 0.900 -5.220 -3.220 -3.643 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ep1A9 GLY 1 HA2 -0.00 -0.01 0.13 -0.51 4.01 3.62 2ep1A9 GLY 1 HA3 -0.00 -0.03 0.19 -0.51 4.01 3.66 2ep1A9 SER 2 H -0.00 0.13 0.09 -0.55 8.46 8.14 2ep1A9 SER 2 HA -0.00 0.10 0.69 -0.75 4.49 4.53 2ep1A9 SER 2 HB2 -0.00 -0.01 0.14 -0.04 3.95 4.04 2ep1A9 SER 2 HB3 -0.00 -0.02 -0.03 -0.04 3.93 3.84 2ep1A9 SER 3 H -0.00 0.22 0.14 -0.55 8.46 8.27 2ep1A9 SER 3 HA -0.00 0.07 0.63 -0.75 4.49 4.44 2ep1A9 SER 3 HB2 -0.00 0.11 -0.15 -0.04 3.95 3.86 2ep1A9 SER 3 HB3 -0.00 0.02 -0.03 -0.04 3.93 3.88 2ep1A9 GLY 4 H -0.00 0.23 0.07 -0.55 8.43 8.18 2ep1A9 GLY 4 HA2 -0.00 0.03 0.45 -0.51 4.01 3.98 2ep1A9 GLY 4 HA3 -0.00 0.06 0.34 -0.51 4.01 3.90 2ep1A9 SER 5 H -0.00 0.22 0.08 -0.55 8.46 8.22 2ep1A9 SER 5 HA -0.00 0.12 0.72 -0.75 4.49 4.58 2ep1A9 SER 5 HB2 -0.00 0.03 -0.21 -0.04 3.95 3.72 2ep1A9 SER 5 HB3 -0.01 -0.02 0.04 -0.04 3.93 3.90 2ep1A9 SER 6 H -0.01 0.25 0.14 -0.55 8.46 8.30 2ep1A9 SER 6 HA -0.01 0.15 0.92 -0.75 4.49 4.81 2ep1A9 SER 6 HB2 -0.00 0.01 0.04 -0.04 3.95 3.95 2ep1A9 SER 6 HB3 -0.00 0.00 -0.00 -0.04 3.93 3.88 2ep1A9 GLY 7 H -0.01 0.08 0.06 -0.55 8.43 8.02 2ep1A9 GLY 7 HA2 -0.01 -0.01 0.36 -0.51 4.01 3.85 2ep1A9 GLY 7 HA3 -0.01 0.24 0.93 -0.51 4.01 4.66 2ep1A9 THR 8 H -0.01 0.06 0.17 -0.55 8.28 7.96 2ep1A9 THR 8 HA -0.01 0.14 0.67 -0.75 4.39 4.43 2ep1A9 THR 8 HB -0.01 0.01 0.05 -0.04 4.32 4.33 2ep1A9 THR 8 HG23 -0.01 0.01 0.00 -0.04 1.22 1.18 2ep1A9 GLY 9 H -0.01 0.09 0.08 -0.55 8.43 8.05 2ep1A9 GLY 9 HA2 -0.01 -0.05 0.36 -0.51 4.01 3.81 2ep1A9 GLY 9 HA3 -0.01 0.21 0.83 -0.51 4.01 4.53 2ep1A9 GLU 10 H -0.01 0.16 0.08 -0.55 8.60 8.29 2ep1A9 GLU 10 HA -0.03 0.17 0.92 -0.75 4.29 4.60 2ep1A9 GLU 10 HB2 -0.02 -0.06 -0.09 -0.04 2.09 1.88 2ep1A9 GLU 10 HB3 -0.02 -0.00 0.07 -0.04 1.99 2.00 2ep1A9 GLU 10 HG2 -0.02 -0.00 -0.03 -0.04 2.34 2.24 2ep1A9 GLU 10 HG3 -0.04 0.08 -0.03 -0.04 2.34 2.32 2ep1A9 LYS 11 H -0.03 0.13 0.04 -0.55 8.42 8.00 2ep1A9 LYS 11 HA 0.01 0.02 0.30 -0.75 4.32 3.89 2ep1A9 LYS 11 HB2 -0.08 -0.02 -0.03 -0.04 1.87 1.70 2ep1A9 LYS 11 HB3 -0.00 -0.00 -0.26 -0.04 1.79 1.49 2ep1A9 LYS 11 HG2 -0.01 -0.02 -0.05 -0.04 1.46 1.34 2ep1A9 LYS 11 HG3 -0.03 0.01 -0.01 -0.04 1.46 1.39 2ep1A9 LYS 11 HD2 -0.08 -0.04 -0.17 -0.04 1.69 1.36 2ep1A9 LYS 11 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.55 2ep1A9 LYS 11 HE2 -0.11 -0.01 -0.03 -0.04 2.99 2.80 2ep1A9 LYS 11 HE3 -0.13 0.02 -0.03 -0.04 2.99 2.81 2ep1A9 PRO 12 HA -0.01 0.10 0.44 -0.51 4.44 4.45 2ep1A9 PRO 12 HB2 -0.11 -0.09 0.22 -0.04 2.28 2.26 2ep1A9 PRO 12 HB3 -0.03 0.03 0.18 -0.04 2.02 2.16 2ep1A9 PRO 12 HG2 0.34 0.20 0.16 -0.04 2.03 2.68 2ep1A9 PRO 12 HG3 0.12 0.01 0.13 -0.04 2.03 2.25 2ep1A9 PRO 12 HD2 0.08 -0.02 0.04 -0.04 3.68 3.73 2ep1A9 PRO 12 HD3 0.04 0.14 0.17 -0.04 3.65 3.95 2ep1A9 TYR 13 H -0.26 0.10 0.15 -0.55 8.29 7.73 2ep1A9 TYR 13 HA 0.04 0.01 0.29 -0.75 4.56 4.15 2ep1A9 TYR 13 HB2 0.15 0.26 -0.18 -0.04 3.06 3.25 2ep1A9 TYR 13 HB3 0.09 -0.07 0.09 -0.04 2.98 3.04 2ep1A9 TYR 13 HD2 -0.00 0.12 -0.11 -0.04 7.15 7.12 2ep1A9 TYR 13 HE2 -0.02 0.06 0.04 -0.04 6.85 6.90 2ep1A9 GLU 14 H 0.04 -0.03 -0.39 -0.55 8.60 7.68 2ep1A9 GLU 14 HA 0.03 0.15 0.58 -0.75 4.29 4.29 2ep1A9 GLU 14 HB2 -0.00 0.02 0.05 -0.04 2.09 2.12 2ep1A9 GLU 14 HB3 0.01 -0.11 0.02 -0.04 1.99 1.87 2ep1A9 GLU 14 HG2 0.00 0.14 -0.11 -0.04 2.34 2.32 2ep1A9 GLU 14 HG3 -0.03 0.02 -0.01 -0.04 2.34 2.29 2ep1A9 CYS 15 H 0.09 0.61 0.17 -0.55 8.50 8.82 2ep1A9 CYS 15 HA 0.19 0.02 0.38 -0.75 4.58 4.42 2ep1A9 CYS 15 HB2 0.30 0.11 0.05 -0.04 2.97 3.38 2ep1A9 CYS 15 HB3 0.21 -0.37 0.18 -0.04 2.97 2.95 2ep1A9 SER 16 H 0.08 0.17 0.15 -0.55 8.46 8.32 2ep1A9 SER 16 HA 0.02 0.18 0.49 -0.75 4.49 4.43 2ep1A9 SER 16 HB2 0.01 0.02 0.16 -0.04 3.95 4.10 2ep1A9 SER 16 HB3 0.02 0.06 0.10 -0.04 3.93 4.07 2ep1A9 ASP 17 H 0.03 -0.06 -0.89 -0.55 8.40 6.93 2ep1A9 ASP 17 HA -0.14 0.26 0.85 -0.75 4.63 4.84 2ep1A9 ASP 17 HB2 -0.49 -0.14 -0.06 -0.04 2.71 1.98 2ep1A9 ASP 17 HB3 -1.32 0.08 -0.09 -0.04 2.70 1.33 2ep1A9 CYS 18 H 0.11 -0.17 0.06 -0.55 8.50 7.94 2ep1A9 CYS 18 HA 0.07 0.30 0.95 -0.75 4.58 5.15 2ep1A9 CYS 18 HB2 0.16 0.04 0.02 -0.04 2.97 3.15 2ep1A9 CYS 18 HB3 0.33 0.10 -0.05 -0.04 2.97 3.32 2ep1A9 GLY 19 H 0.10 -0.06 0.22 -0.55 8.43 8.15 2ep1A9 GLY 19 HA2 0.01 0.11 0.35 -0.51 4.01 3.97 2ep1A9 GLY 19 HA3 0.01 0.19 0.82 -0.51 4.01 4.52 2ep1A9 LYS 20 H 0.03 -0.04 0.08 -0.55 8.42 7.93 2ep1A9 LYS 20 HA -0.18 0.09 0.36 -0.75 4.32 3.83 2ep1A9 LYS 20 HB2 -0.17 -0.10 0.13 -0.04 1.87 1.69 2ep1A9 LYS 20 HB3 -0.63 0.08 0.11 -0.04 1.79 1.31 2ep1A9 LYS 20 HG2 -0.17 0.04 0.09 -0.04 1.46 1.37 2ep1A9 LYS 20 HG3 -0.04 -0.00 0.05 -0.04 1.46 1.43 2ep1A9 LYS 20 HD2 0.09 -0.03 0.02 -0.04 1.69 1.73 2ep1A9 LYS 20 HD3 -0.12 0.02 0.03 -0.04 1.68 1.56 2ep1A9 LYS 20 HE2 0.11 0.01 0.01 -0.04 2.99 3.08 2ep1A9 LYS 20 HE3 0.01 0.01 0.02 -0.04 2.99 2.98 2ep1A9 SER 21 H -0.62 0.17 0.24 -0.55 8.46 7.70 2ep1A9 SER 21 HA -0.21 0.18 0.70 -0.75 4.49 4.41 2ep1A9 SER 21 HB2 -0.20 -0.14 -0.01 -0.04 3.95 3.56 2ep1A9 SER 21 HB3 -0.09 0.16 -0.12 -0.04 3.93 3.84 2ep1A9 PHE 22 H 0.09 0.81 -0.03 -0.55 8.34 8.65 2ep1A9 PHE 22 HA -0.02 0.04 0.60 -0.75 4.62 4.49 2ep1A9 PHE 22 HB2 -0.06 0.05 -0.14 -0.04 3.15 2.95 2ep1A9 PHE 22 HB3 -0.08 -0.13 0.03 -0.04 3.06 2.84 2ep1A9 PHE 22 HD2 -0.03 0.11 -0.09 -0.04 7.28 7.23 2ep1A9 PHE 22 HE2 -0.17 -0.03 -0.08 -0.04 7.38 7.06 2ep1A9 PHE 22 HZ -0.97 -0.03 -0.05 -0.04 7.32 6.24 2ep1A9 ILE 23 H 0.10 0.11 0.11 -0.55 8.25 8.02 2ep1A9 ILE 23 HA 0.16 0.16 0.60 -0.75 4.18 4.35 2ep1A9 ILE 23 HB 0.03 -0.05 0.12 -0.04 1.89 1.95 2ep1A9 ILE 23 HG12 0.05 0.04 0.00 -0.04 1.49 1.54 2ep1A9 ILE 23 HG13 0.04 -0.06 -0.02 -0.04 1.21 1.13 2ep1A9 ILE 23 HG23 0.05 0.01 -0.05 -0.04 0.93 0.90 2ep1A9 ILE 23 HD13 0.02 0.02 0.01 -0.04 0.88 0.88 2ep1A9 LYS 24 H -0.04 0.03 0.05 -0.55 8.42 7.91 2ep1A9 LYS 24 HA -0.22 0.22 0.80 -0.75 4.32 4.36 2ep1A9 LYS 24 HB2 -0.08 -0.01 0.12 -0.04 1.87 1.85 2ep1A9 LYS 24 HB3 -0.12 -0.08 0.01 -0.04 1.79 1.56 2ep1A9 LYS 24 HG2 -0.04 0.05 0.02 -0.04 1.46 1.45 2ep1A9 LYS 24 HG3 -0.05 0.08 0.00 -0.04 1.46 1.45 2ep1A9 LYS 24 HD2 -0.01 -0.05 -0.22 -0.04 1.69 1.37 2ep1A9 LYS 24 HD3 -0.01 -0.02 0.03 -0.04 1.68 1.63 2ep1A9 LYS 24 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.96 2ep1A9 LYS 24 HE3 0.00 0.05 -0.03 -0.04 2.99 2.97 2ep1A9 LYS 25 H -0.45 0.22 0.14 -0.55 8.42 7.78 2ep1A9 LYS 25 HA -0.93 0.14 0.33 -0.75 4.32 3.10 2ep1A9 LYS 25 HB2 -0.16 0.07 0.15 -0.04 1.87 1.90 2ep1A9 LYS 25 HB3 -0.14 -0.05 0.12 -0.04 1.79 1.69 2ep1A9 LYS 25 HG2 -0.36 0.01 -0.11 -0.04 1.46 0.96 2ep1A9 LYS 25 HG3 -0.14 0.01 0.03 -0.04 1.46 1.33 2ep1A9 LYS 25 HD2 0.21 0.01 0.03 -0.04 1.69 1.90 2ep1A9 LYS 25 HD3 0.08 0.01 0.01 -0.04 1.68 1.73 2ep1A9 LYS 25 HE2 0.08 -0.00 -0.01 -0.04 2.99 3.02 2ep1A9 LYS 25 HE3 0.10 0.03 0.00 -0.04 2.99 3.08 2ep1A9 SER 26 H -0.15 0.12 -0.08 -0.55 8.46 7.80 2ep1A9 SER 26 HA 0.04 0.09 0.32 -0.75 4.49 4.19 2ep1A9 SER 26 HB2 -0.02 0.04 0.09 -0.04 3.95 4.02 2ep1A9 SER 26 HB3 -0.06 -0.05 0.02 -0.04 3.93 3.80 2ep1A9 GLN 27 H -0.17 0.05 -0.42 -0.55 8.47 7.38 2ep1A9 GLN 27 HA -0.16 0.04 0.33 -0.75 4.36 3.81 2ep1A9 GLN 27 HB2 -0.14 0.26 0.11 -0.04 2.15 2.34 2ep1A9 GLN 27 HB3 -0.15 0.05 -0.00 -0.04 2.02 1.88 2ep1A9 GLN 27 HG2 -0.05 -0.09 0.06 -0.04 2.40 2.28 2ep1A9 GLN 27 HG3 0.05 -0.02 0.07 -0.04 2.39 2.46 2ep1A9 GLN 27 HE21 0.07 0.01 0.04 -0.04 6.97 7.05 2ep1A9 GLN 27 HE22 0.02 0.04 0.01 -0.04 7.69 7.72 2ep1A9 LEU 28 H -0.40 0.38 -0.21 -0.55 8.37 7.60 2ep1A9 LEU 28 HA -0.95 0.01 0.42 -0.75 4.35 3.08 2ep1A9 LEU 28 HB2 -0.06 0.06 0.07 -0.04 1.64 1.67 2ep1A9 LEU 28 HB3 -0.24 0.12 0.16 -0.04 1.64 1.64 2ep1A9 LEU 28 HG -0.01 -0.03 -0.26 -0.04 1.64 1.29 2ep1A9 LEU 28 HD13 0.22 0.03 -0.02 -0.04 0.93 1.12 2ep1A9 LEU 28 HD23 0.14 -0.00 -0.07 -0.04 0.89 0.91 2ep1A9 HIS 29 H -0.21 0.49 -0.06 -0.55 8.41 8.08 2ep1A9 HIS 29 HA -0.04 0.01 0.34 -0.75 4.63 4.19 2ep1A9 HIS 29 HB2 -0.08 0.05 0.16 -0.04 3.26 3.35 2ep1A9 HIS 29 HB3 -0.05 0.01 -0.05 -0.04 3.20 3.07 2ep1A9 HIS 29 HD2 -0.04 -0.08 -0.10 -0.04 6.97 6.72 2ep1A9 HIS 29 HE1 0.02 0.02 -0.03 -0.04 7.75 7.71 2ep1A9 VAL 30 H -0.05 0.62 -0.18 -0.55 8.24 8.08 2ep1A9 VAL 30 HA -0.02 0.04 0.43 -0.75 4.13 3.83 2ep1A9 VAL 30 HB -0.08 0.10 0.09 -0.04 2.12 2.19 2ep1A9 VAL 30 HG13 -0.03 -0.01 -0.02 -0.04 0.97 0.87 2ep1A9 VAL 30 HG23 -0.03 -0.04 -0.05 -0.04 0.95 0.79 2ep1A9 HIS 31 H -0.13 0.42 -0.17 -0.55 8.41 7.98 2ep1A9 HIS 31 HA -0.09 0.05 0.49 -0.75 4.63 4.32 2ep1A9 HIS 31 HB2 -0.27 0.00 0.12 -0.04 3.26 3.07 2ep1A9 HIS 31 HB3 -0.45 0.06 0.26 -0.04 3.20 3.03 2ep1A9 HIS 31 HD2 0.09 0.02 0.01 -0.04 6.97 7.05 2ep1A9 HIS 31 HE1 0.30 -0.09 -0.05 -0.04 7.75 7.86 2ep1A9 GLN 32 H 0.05 0.76 0.11 -0.55 8.47 8.85 2ep1A9 GLN 32 HA 0.08 -0.06 0.31 -0.75 4.36 3.93 2ep1A9 GLN 32 HB2 0.08 0.17 0.07 -0.04 2.15 2.43 2ep1A9 GLN 32 HB3 0.10 -0.04 -0.01 -0.04 2.02 2.03 2ep1A9 GLN 32 HG2 0.23 -0.03 0.06 -0.04 2.40 2.61 2ep1A9 GLN 32 HG3 0.12 -0.02 -0.07 -0.04 2.39 2.39 2ep1A9 GLN 32 HE21 0.25 -0.05 -0.01 -0.04 6.97 7.12 2ep1A9 GLN 32 HE22 0.11 0.01 -0.08 -0.04 7.69 7.69 2ep1A9 ARG 33 H -0.07 0.19 -1.17 -0.55 8.46 6.85 2ep1A9 ARG 33 HA -0.03 -0.00 0.36 -0.75 4.34 3.91 2ep1A9 ARG 33 HB2 -0.08 0.20 0.18 -0.04 1.90 2.17 2ep1A9 ARG 33 HB3 -0.05 -0.07 0.04 -0.04 1.80 1.68 2ep1A9 ARG 33 HG2 -0.03 -0.09 0.07 -0.04 1.67 1.59 2ep1A9 ARG 33 HG3 -0.03 0.12 0.19 -0.04 1.67 1.90 2ep1A9 ARG 33 HD2 -0.04 0.00 0.08 -0.04 3.22 3.23 2ep1A9 ARG 33 HD3 -0.03 -0.06 0.04 -0.04 3.22 3.12 2ep1A9 ILE 34 H -0.24 0.64 -0.02 -0.55 8.25 8.08 2ep1A9 ILE 34 HA -0.11 0.01 0.36 -0.75 4.18 3.68 2ep1A9 ILE 34 HB -0.19 -0.01 0.06 -0.04 1.89 1.71 2ep1A9 ILE 34 HG12 -0.82 0.17 0.02 -0.04 1.49 0.82 2ep1A9 ILE 34 HG13 -0.86 0.01 -0.22 -0.04 1.21 0.10 2ep1A9 ILE 34 HG23 -0.15 -0.03 0.08 -0.04 0.93 0.79 2ep1A9 ILE 34 HD13 -0.44 -0.04 -0.07 -0.04 0.88 0.29 2ep1A9 HIS 35 H -0.20 0.30 -0.49 -0.55 8.41 7.47 2ep1A9 HIS 35 HA -0.03 0.09 0.51 -0.75 4.63 4.44 2ep1A9 HIS 35 HB2 -0.03 0.14 0.18 -0.04 3.26 3.50 2ep1A9 HIS 35 HB3 -0.00 -0.05 -0.04 -0.04 3.20 3.06 2ep1A9 HIS 35 HD2 0.08 -0.06 -0.05 -0.04 6.97 6.90 2ep1A9 HIS 35 HE1 0.07 0.04 -0.15 -0.04 7.75 7.66 2ep1A9 THR 36 H 0.05 0.57 0.03 -0.55 8.28 8.38 2ep1A9 THR 36 HA 0.04 0.01 0.60 -0.75 4.39 4.28 2ep1A9 THR 36 HB 0.04 -0.06 0.03 -0.04 4.32 4.28 2ep1A9 THR 36 HG23 0.01 0.02 0.07 -0.04 1.22 1.28 2ep1A9 GLY 37 H 0.02 0.19 0.04 -0.55 8.43 8.13 2ep1A9 GLY 37 HA2 0.00 -0.06 0.35 -0.51 4.01 3.79 2ep1A9 GLY 37 HA3 -0.00 0.22 0.88 -0.51 4.01 4.60 2ep1A9 GLU 38 H -0.01 0.33 -0.26 -0.55 8.60 8.12 2ep1A9 GLU 38 HA 0.00 0.10 0.89 -0.75 4.29 4.54 2ep1A9 GLU 38 HB2 -0.01 -0.07 0.00 -0.04 2.09 1.98 2ep1A9 GLU 38 HB3 -0.01 0.05 0.15 -0.04 1.99 2.14 2ep1A9 GLU 38 HG2 0.00 0.12 -0.28 -0.04 2.34 2.14 2ep1A9 GLU 38 HG3 -0.00 -0.04 -0.02 -0.04 2.34 2.23 2ep1A9 ASN 39 H 0.01 0.12 0.04 -0.55 8.53 8.15 2ep1A9 ASN 39 HA 0.05 0.16 0.52 -0.75 4.76 4.74 2ep1A9 ASN 39 HB2 0.02 -0.05 0.11 -0.04 2.88 2.92 2ep1A9 ASN 39 HB3 0.02 -0.07 0.12 -0.04 2.79 2.81 2ep1A9 ASN 39 HD21 0.02 -0.07 -0.11 -0.04 7.03 6.83 2ep1A9 ASN 39 HD22 0.02 -0.06 -0.06 -0.04 7.74 7.59 2ep1A9 PRO 40 HA 0.02 0.02 0.41 -0.51 4.44 4.39 2ep1A9 PRO 40 HB2 0.04 0.04 0.11 -0.04 2.28 2.43 2ep1A9 PRO 40 HB3 0.04 -0.02 0.14 -0.04 2.02 2.14 2ep1A9 PRO 40 HG2 0.06 0.09 0.03 -0.04 2.03 2.17 2ep1A9 PRO 40 HG3 0.11 -0.03 0.07 -0.04 2.03 2.14 2ep1A9 PRO 40 HD2 0.07 0.03 0.24 -0.04 3.68 3.98 2ep1A9 PRO 40 HD3 0.09 0.27 0.26 -0.04 3.65 4.23 2ep1A9 SER 41 H 0.02 0.01 0.15 -0.55 8.46 8.09 2ep1A9 SER 41 HA 0.01 0.06 0.41 -0.75 4.49 4.22 2ep1A9 SER 41 HB2 0.01 -0.04 0.15 -0.04 3.95 4.03 2ep1A9 SER 41 HB3 0.01 0.00 0.05 -0.04 3.93 3.95 2ep1A9 GLY 42 H 0.01 0.05 0.17 -0.55 8.43 8.12 2ep1A9 GLY 42 HA2 0.01 0.22 0.88 -0.51 4.01 4.61 2ep1A9 GLY 42 HA3 0.01 0.00 0.34 -0.51 4.01 3.85 2ep1A9 PRO 43 HA 0.01 0.07 0.39 -0.51 4.44 4.39 2ep1A9 PRO 43 HB2 0.01 0.12 0.08 -0.04 2.28 2.44 2ep1A9 PRO 43 HB3 0.01 0.02 0.11 -0.04 2.02 2.12 2ep1A9 PRO 43 HG2 0.01 0.03 -0.06 -0.04 2.03 1.96 2ep1A9 PRO 43 HG3 0.01 0.04 0.04 -0.04 2.03 2.08 2ep1A9 PRO 43 HD2 0.01 0.07 0.18 -0.04 3.68 3.90 2ep1A9 PRO 43 HD3 0.01 0.17 0.17 -0.04 3.65 3.96 2ep1A9 SER 44 H 0.01 0.16 0.13 -0.55 8.46 8.20 2ep1A9 SER 44 HA 0.00 0.19 0.85 -0.75 4.49 4.78 2ep1A9 SER 44 HB2 0.00 0.03 0.04 -0.04 3.95 3.99 2ep1A9 SER 44 HB3 0.00 0.06 0.01 -0.04 3.93 3.96 2ep1A9 SER 45 H 0.00 0.14 0.12 -0.55 8.46 8.17 2ep1A9 SER 45 HA 0.00 0.07 0.32 -0.75 4.49 4.13 2ep1A9 SER 45 HB2 0.00 0.03 0.01 -0.04 3.95 3.94 2ep1A9 SER 45 HB3 0.00 0.03 0.13 -0.04 3.93 4.05 2ep1A9 GLY 46 H 0.00 -0.01 -0.35 -0.55 8.43 7.53 2ep1A9 GLY 46 HA2 0.00 0.10 0.24 -0.51 4.01 3.84 2ep1A9 GLY 46 HA3 0.00 -0.00 0.13 -0.51 4.01 3.62