============================================================================= 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. PHE 13 1.000 11.028 -1.592 -7.168 -99.200 -91.000 PHE 22 1.000 5.562 -2.827 -1.327 -99.200 -91.000 HIS 29 0.900 5.504 -6.213 -9.848 -99.200 -91.000 HIS 31 0.900 0.657 -4.300 -0.455 -99.200 -91.000 HIS 35 0.900 -4.662 -2.999 -2.872 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2en1A2 GLY 1 HA2 0.00 -0.02 0.14 -0.51 4.01 3.62 2en1A2 GLY 1 HA3 0.00 -0.10 0.21 -0.51 4.01 3.61 2en1A2 SER 2 H 0.00 0.16 0.06 -0.55 8.46 8.13 2en1A2 SER 2 HA 0.00 0.05 0.48 -0.75 4.49 4.27 2en1A2 SER 2 HB2 0.00 0.20 0.02 -0.04 3.95 4.13 2en1A2 SER 2 HB3 0.00 -0.07 -0.12 -0.04 3.93 3.69 2en1A2 SER 3 H -0.00 0.20 0.15 -0.55 8.46 8.26 2en1A2 SER 3 HA -0.00 0.17 0.94 -0.75 4.49 4.85 2en1A2 SER 3 HB2 -0.01 -0.03 0.02 -0.04 3.95 3.89 2en1A2 SER 3 HB3 -0.00 0.03 -0.02 -0.04 3.93 3.89 2en1A2 GLY 4 H -0.01 0.13 -0.00 -0.55 8.43 8.01 2en1A2 GLY 4 HA2 -0.01 0.02 0.35 -0.51 4.01 3.85 2en1A2 GLY 4 HA3 -0.01 0.14 0.42 -0.51 4.01 4.05 2en1A2 SER 5 H -0.01 0.18 0.02 -0.55 8.46 8.10 2en1A2 SER 5 HA -0.01 0.24 0.92 -0.75 4.49 4.89 2en1A2 SER 5 HB2 -0.01 0.02 0.01 -0.04 3.95 3.93 2en1A2 SER 5 HB3 -0.01 -0.01 0.19 -0.04 3.93 4.06 2en1A2 SER 6 H -0.01 0.27 -0.13 -0.55 8.46 8.04 2en1A2 SER 6 HA -0.02 0.09 0.53 -0.75 4.49 4.34 2en1A2 SER 6 HB2 -0.01 0.01 0.15 -0.04 3.95 4.05 2en1A2 SER 6 HB3 -0.02 0.06 0.02 -0.04 3.93 3.95 2en1A2 GLY 7 H -0.02 0.29 0.06 -0.55 8.43 8.23 2en1A2 GLY 7 HA2 -0.01 0.18 0.73 -0.51 4.01 4.40 2en1A2 GLY 7 HA3 -0.01 -0.06 0.34 -0.51 4.01 3.77 2en1A2 SER 8 H -0.01 0.11 0.13 -0.55 8.46 8.14 2en1A2 SER 8 HA -0.01 0.09 0.65 -0.75 4.49 4.47 2en1A2 SER 8 HB2 -0.01 -0.00 0.04 -0.04 3.95 3.94 2en1A2 SER 8 HB3 -0.01 0.01 0.08 -0.04 3.93 3.97 2en1A2 GLY 9 H -0.01 0.08 0.10 -0.55 8.43 8.05 2en1A2 GLY 9 HA2 -0.01 -0.01 0.32 -0.51 4.01 3.80 2en1A2 GLY 9 HA3 -0.02 0.21 0.89 -0.51 4.01 4.58 2en1A2 GLU 10 H -0.01 0.03 0.16 -0.55 8.60 8.24 2en1A2 GLU 10 HA -0.01 0.17 0.59 -0.75 4.29 4.29 2en1A2 GLU 10 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.09 2en1A2 GLU 10 HB3 -0.01 0.05 -0.00 -0.04 1.99 1.98 2en1A2 GLU 10 HG2 -0.01 -0.14 0.03 -0.04 2.34 2.18 2en1A2 GLU 10 HG3 -0.01 0.01 0.02 -0.04 2.34 2.32 2en1A2 LYS 11 H -0.01 0.24 0.12 -0.55 8.42 8.21 2en1A2 LYS 11 HA 0.04 0.18 0.84 -0.75 4.32 4.63 2en1A2 LYS 11 HB2 -0.00 0.02 0.02 -0.04 1.87 1.87 2en1A2 LYS 11 HB3 0.09 0.08 0.04 -0.04 1.79 1.97 2en1A2 LYS 11 HG2 0.08 -0.10 -0.54 -0.04 1.46 0.86 2en1A2 LYS 11 HG3 0.01 0.15 -0.50 -0.04 1.46 1.08 2en1A2 LYS 11 HD2 -0.08 0.07 -0.23 -0.04 1.69 1.42 2en1A2 LYS 11 HD3 -0.08 -0.13 -0.63 -0.04 1.68 0.79 2en1A2 LYS 11 HE2 -0.03 0.09 -0.19 -0.04 2.99 2.81 2en1A2 LYS 11 HE3 -0.09 0.03 -0.14 -0.04 2.99 2.75 2en1A2 PRO 12 HA -0.15 0.09 0.41 -0.51 4.44 4.28 2en1A2 PRO 12 HB2 -0.67 -0.01 -0.01 -0.04 2.28 1.56 2en1A2 PRO 12 HB3 -0.20 0.02 0.09 -0.04 2.02 1.90 2en1A2 PRO 12 HG2 -0.18 0.00 -0.00 -0.04 2.03 1.81 2en1A2 PRO 12 HG3 -0.04 0.05 0.08 -0.04 2.03 2.08 2en1A2 PRO 12 HD2 0.14 0.15 0.31 -0.04 3.68 4.25 2en1A2 PRO 12 HD3 0.01 0.15 0.13 -0.04 3.65 3.89 2en1A2 PHE 13 H 0.15 0.26 -0.23 -0.55 8.34 7.97 2en1A2 PHE 13 HA 0.03 0.18 0.89 -0.75 4.62 4.96 2en1A2 PHE 13 HB2 0.15 0.05 -0.00 -0.04 3.15 3.31 2en1A2 PHE 13 HB3 0.04 -0.06 -0.10 -0.04 3.06 2.91 2en1A2 PHE 13 HD2 -0.02 0.15 -0.21 -0.04 7.28 7.16 2en1A2 PHE 13 HE2 -0.01 0.15 -0.10 -0.04 7.38 7.38 2en1A2 PHE 13 HZ -0.00 0.05 -0.01 -0.04 7.32 7.32 2en1A2 LYS 14 H 0.15 0.23 0.10 -0.55 8.42 8.35 2en1A2 LYS 14 HA 0.14 0.22 0.89 -0.75 4.32 4.82 2en1A2 LYS 14 HB2 0.04 0.06 -0.15 -0.04 1.87 1.77 2en1A2 LYS 14 HB3 0.05 -0.07 -0.01 -0.04 1.79 1.72 2en1A2 LYS 14 HG2 0.06 -0.12 -0.49 -0.04 1.46 0.87 2en1A2 LYS 14 HG3 0.02 0.30 -0.07 -0.04 1.46 1.66 2en1A2 LYS 14 HD2 0.01 -0.02 -0.07 -0.04 1.69 1.57 2en1A2 LYS 14 HD3 0.02 -0.09 -0.14 -0.04 1.68 1.44 2en1A2 LYS 14 HE2 0.01 -0.05 -0.05 -0.04 2.99 2.86 2en1A2 LYS 14 HE3 0.02 -0.02 -0.06 -0.04 2.99 2.88 2en1A2 CYS 15 H 0.21 0.42 -0.19 -0.55 8.50 8.39 2en1A2 CYS 15 HA 0.19 0.07 0.55 -0.75 4.58 4.63 2en1A2 CYS 15 HB2 0.54 0.08 0.03 -0.04 2.97 3.58 2en1A2 CYS 15 HB3 0.27 -0.31 0.25 -0.04 2.97 3.14 2en1A2 GLU 16 H 0.07 0.22 0.23 -0.55 8.60 8.58 2en1A2 GLU 16 HA 0.03 0.16 0.32 -0.75 4.29 4.04 2en1A2 GLU 16 HB2 0.01 -0.04 0.06 -0.04 2.09 2.08 2en1A2 GLU 16 HB3 0.01 0.07 0.04 -0.04 1.99 2.06 2en1A2 GLU 16 HG2 0.05 0.05 0.12 -0.04 2.34 2.52 2en1A2 GLU 16 HG3 0.03 -0.00 0.04 -0.04 2.34 2.37 2en1A2 GLU 17 H -0.03 -0.06 -0.24 -0.55 8.60 7.72 2en1A2 GLU 17 HA -0.19 0.12 0.35 -0.75 4.29 3.81 2en1A2 GLU 17 HB2 -0.71 -0.13 0.05 -0.04 2.09 1.26 2en1A2 GLU 17 HB3 -1.29 0.12 0.02 -0.04 1.99 0.79 2en1A2 GLU 17 HG2 -0.15 0.05 0.03 -0.04 2.34 2.22 2en1A2 GLU 17 HG3 -0.08 -0.14 0.07 -0.04 2.34 2.15 2en1A2 CYS 18 H 0.03 -0.17 -0.17 -0.55 8.50 7.64 2en1A2 CYS 18 HA 0.07 0.29 0.92 -0.75 4.58 5.10 2en1A2 CYS 18 HB2 0.16 0.06 -0.00 -0.04 2.97 3.15 2en1A2 CYS 18 HB3 0.38 0.05 -0.05 -0.04 2.97 3.30 2en1A2 GLY 19 H 0.11 -0.16 0.19 -0.55 8.43 8.02 2en1A2 GLY 19 HA2 0.04 0.08 0.27 -0.51 4.01 3.89 2en1A2 GLY 19 HA3 0.03 0.20 0.93 -0.51 4.01 4.66 2en1A2 LYS 20 H 0.10 -0.18 0.20 -0.55 8.42 7.99 2en1A2 LYS 20 HA -0.14 0.18 0.42 -0.75 4.32 4.02 2en1A2 LYS 20 HB2 0.05 -0.13 0.15 -0.04 1.87 1.90 2en1A2 LYS 20 HB3 -0.59 0.03 0.14 -0.04 1.79 1.33 2en1A2 LYS 20 HG2 -0.18 0.08 0.05 -0.04 1.46 1.37 2en1A2 LYS 20 HG3 -0.01 -0.01 0.02 -0.04 1.46 1.42 2en1A2 LYS 20 HD2 -1.29 -0.04 0.01 -0.04 1.69 0.32 2en1A2 LYS 20 HD3 -0.48 0.04 0.05 -0.04 1.68 1.25 2en1A2 LYS 20 HE2 0.04 0.01 -0.01 -0.04 2.99 2.99 2en1A2 LYS 20 HE3 -0.05 0.01 0.00 -0.04 2.99 2.91 2en1A2 ARG 21 H -0.68 0.23 0.23 -0.55 8.46 7.68 2en1A2 ARG 21 HA -0.08 0.26 0.90 -0.75 4.34 4.67 2en1A2 ARG 21 HB2 -0.20 -0.05 -0.00 -0.04 1.90 1.61 2en1A2 ARG 21 HB3 -0.08 0.02 0.11 -0.04 1.80 1.81 2en1A2 ARG 21 HG2 -0.05 0.20 -0.09 -0.04 1.67 1.70 2en1A2 ARG 21 HG3 -0.10 -0.02 -0.29 -0.04 1.67 1.22 2en1A2 ARG 21 HD2 -0.05 -0.02 -0.02 -0.04 3.22 3.09 2en1A2 ARG 21 HD3 -0.02 0.04 0.00 -0.04 3.22 3.20 2en1A2 PHE 22 H 0.17 0.76 0.28 -0.55 8.34 9.00 2en1A2 PHE 22 HA 0.00 0.15 0.65 -0.75 4.62 4.67 2en1A2 PHE 22 HB2 -0.06 0.03 -0.02 -0.04 3.15 3.05 2en1A2 PHE 22 HB3 -0.07 -0.09 0.14 -0.04 3.06 3.00 2en1A2 PHE 22 HD2 -0.01 -0.00 -0.26 -0.04 7.28 6.97 2en1A2 PHE 22 HE2 -0.06 -0.03 -0.15 -0.04 7.38 7.10 2en1A2 PHE 22 HZ -0.71 -0.00 -0.04 -0.04 7.32 6.53 2en1A2 THR 23 H 0.14 0.19 0.17 -0.55 8.28 8.23 2en1A2 THR 23 HA 0.22 0.17 0.69 -0.75 4.39 4.71 2en1A2 THR 23 HB 0.07 0.05 0.11 -0.04 4.32 4.51 2en1A2 THR 23 HG23 0.05 -0.02 -0.05 -0.04 1.22 1.16 2en1A2 GLN 24 H -0.02 0.06 -0.17 -0.55 8.47 7.79 2en1A2 GLN 24 HA -0.44 0.25 0.72 -0.75 4.36 4.14 2en1A2 GLN 24 HB2 -0.11 -0.01 -0.05 -0.04 2.15 1.94 2en1A2 GLN 24 HB3 -0.24 -0.14 -0.02 -0.04 2.02 1.58 2en1A2 GLN 24 HG2 -0.00 0.14 -0.19 -0.04 2.40 2.31 2en1A2 GLN 24 HG3 -0.04 0.02 -0.02 -0.04 2.39 2.31 2en1A2 GLN 24 HE21 0.11 -0.01 0.09 -0.04 6.97 7.12 2en1A2 GLN 24 HE22 0.08 0.07 0.09 -0.04 7.69 7.88 2en1A2 ASN 25 H -0.97 0.26 0.12 -0.55 8.53 7.40 2en1A2 ASN 25 HA -1.02 0.10 0.42 -0.75 4.76 3.50 2en1A2 ASN 25 HB2 -0.25 0.06 0.03 -0.04 2.88 2.68 2en1A2 ASN 25 HB3 -0.14 0.10 0.11 -0.04 2.79 2.81 2en1A2 ASN 25 HD21 -0.12 0.03 0.14 -0.04 7.03 7.03 2en1A2 ASN 25 HD22 -0.04 0.10 0.07 -0.04 7.74 7.82 2en1A2 SER 26 H -0.25 0.14 -0.04 -0.55 8.46 7.76 2en1A2 SER 26 HA -0.06 0.10 0.27 -0.75 4.49 4.04 2en1A2 SER 26 HB2 -0.11 -0.02 -0.03 -0.04 3.95 3.74 2en1A2 SER 26 HB3 -0.06 0.10 0.00 -0.04 3.93 3.92 2en1A2 GLN 27 H -0.29 0.02 -0.77 -0.55 8.47 6.89 2en1A2 GLN 27 HA -0.17 0.13 0.40 -0.75 4.36 3.97 2en1A2 GLN 27 HB2 -0.16 0.12 0.13 -0.04 2.15 2.20 2en1A2 GLN 27 HB3 0.05 0.06 -0.01 -0.04 2.02 2.08 2en1A2 GLN 27 HG2 -0.02 0.08 -0.02 -0.04 2.40 2.40 2en1A2 GLN 27 HG3 -0.08 -0.08 -0.03 -0.04 2.39 2.16 2en1A2 GLN 27 HE21 0.06 0.03 0.03 -0.04 6.97 7.05 2en1A2 GLN 27 HE22 0.04 0.05 0.00 -0.04 7.69 7.75 2en1A2 LEU 28 H -0.67 0.34 0.01 -0.55 8.37 7.51 2en1A2 LEU 28 HA -2.00 0.04 0.34 -0.75 4.35 1.98 2en1A2 LEU 28 HB2 -0.17 -0.00 -0.09 -0.04 1.64 1.34 2en1A2 LEU 28 HB3 -0.44 0.06 0.15 -0.04 1.64 1.37 2en1A2 LEU 28 HG -0.11 0.04 -0.33 -0.04 1.64 1.19 2en1A2 LEU 28 HD13 0.22 -0.03 -0.18 -0.04 0.93 0.90 2en1A2 LEU 28 HD23 0.11 0.05 -0.24 -0.04 0.89 0.77 2en1A2 HIS 29 H -0.40 0.66 -0.03 -0.55 8.41 8.10 2en1A2 HIS 29 HA -0.07 0.01 0.35 -0.75 4.63 4.17 2en1A2 HIS 29 HB2 -0.11 0.03 -0.07 -0.04 3.26 3.07 2en1A2 HIS 29 HB3 -0.06 0.04 -0.02 -0.04 3.20 3.11 2en1A2 HIS 29 HD2 -0.01 -0.01 -0.04 -0.04 6.97 6.86 2en1A2 HIS 29 HE1 0.03 0.01 -0.03 -0.04 7.75 7.72 2en1A2 SER 30 H -0.15 0.20 -0.80 -0.55 8.46 7.16 2en1A2 SER 30 HA -0.02 0.07 0.56 -0.75 4.49 4.34 2en1A2 SER 30 HB2 -0.05 -0.02 0.13 -0.04 3.95 3.98 2en1A2 SER 30 HB3 -0.10 0.08 0.26 -0.04 3.93 4.12 2en1A2 HIS 31 H -0.11 0.36 -0.18 -0.55 8.41 7.92 2en1A2 HIS 31 HA -0.00 0.15 0.76 -0.75 4.63 4.78 2en1A2 HIS 31 HB2 0.11 0.01 0.08 -0.04 3.26 3.41 2en1A2 HIS 31 HB3 -0.30 0.07 0.22 -0.04 3.20 3.14 2en1A2 HIS 31 HD2 0.29 -0.05 -0.08 -0.04 6.97 7.08 2en1A2 HIS 31 HE1 0.08 0.05 -0.03 -0.04 7.75 7.81 2en1A2 GLN 32 H 0.02 0.75 0.14 -0.55 8.47 8.83 2en1A2 GLN 32 HA 0.06 -0.03 0.34 -0.75 4.36 3.97 2en1A2 GLN 32 HB2 0.06 0.12 0.07 -0.04 2.15 2.36 2en1A2 GLN 32 HB3 0.06 0.01 0.02 -0.04 2.02 2.06 2en1A2 GLN 32 HG2 0.13 -0.12 0.06 -0.04 2.40 2.43 2en1A2 GLN 32 HG3 0.13 0.11 -0.01 -0.04 2.39 2.58 2en1A2 GLN 32 HE21 0.12 -0.14 0.01 -0.04 6.97 6.92 2en1A2 GLN 32 HE22 0.13 0.07 -0.00 -0.04 7.69 7.84 2en1A2 ARG 33 H -0.05 0.15 -1.05 -0.55 8.46 6.96 2en1A2 ARG 33 HA -0.02 0.04 0.32 -0.75 4.34 3.92 2en1A2 ARG 33 HB2 -0.04 0.08 -0.06 -0.04 1.90 1.83 2en1A2 ARG 33 HB3 -0.03 -0.01 0.02 -0.04 1.80 1.75 2en1A2 ARG 33 HG2 -0.02 -0.01 0.01 -0.04 1.67 1.61 2en1A2 ARG 33 HG3 -0.03 0.06 -0.24 -0.04 1.67 1.42 2en1A2 ARG 33 HD2 -0.02 -0.05 0.07 -0.04 3.22 3.19 2en1A2 ARG 33 HD3 -0.02 0.04 0.06 -0.04 3.22 3.26 2en1A2 VAL 34 H -0.19 0.73 -0.21 -0.55 8.24 8.02 2en1A2 VAL 34 HA -0.11 0.04 0.34 -0.75 4.13 3.64 2en1A2 VAL 34 HB -0.19 -0.03 0.09 -0.04 2.12 1.95 2en1A2 VAL 34 HG13 -0.11 -0.03 0.11 -0.04 0.97 0.89 2en1A2 VAL 34 HG23 -0.65 0.04 -0.14 -0.04 0.95 0.17 2en1A2 HIS 35 H -0.07 0.40 -0.48 -0.55 8.41 7.72 2en1A2 HIS 35 HA -0.03 0.18 0.63 -0.75 4.63 4.65 2en1A2 HIS 35 HB2 -0.04 0.17 0.12 -0.04 3.26 3.47 2en1A2 HIS 35 HB3 -0.01 -0.01 0.03 -0.04 3.20 3.16 2en1A2 HIS 35 HD2 -0.14 -0.05 0.01 -0.04 6.97 6.74 2en1A2 HIS 35 HE1 0.05 0.07 -0.15 -0.04 7.75 7.68 2en1A2 THR 36 H 0.02 0.26 -0.21 -0.55 8.28 7.80 2en1A2 THR 36 HA 0.02 0.09 0.52 -0.75 4.39 4.27 2en1A2 THR 36 HB 0.00 -0.03 0.19 -0.04 4.32 4.44 2en1A2 THR 36 HG23 0.02 -0.02 -0.06 -0.04 1.22 1.11 2en1A2 GLY 37 H 0.00 0.27 -1.00 -0.55 8.43 7.16 2en1A2 GLY 37 HA2 -0.01 0.11 0.69 -0.51 4.01 4.29 2en1A2 GLY 37 HA3 -0.02 0.02 0.20 -0.51 4.01 3.70 2en1A2 GLU 38 H -0.02 0.30 0.05 -0.55 8.60 8.38 2en1A2 GLU 38 HA -0.00 0.16 0.99 -0.75 4.29 4.68 2en1A2 GLU 38 HB2 -0.02 -0.04 0.01 -0.04 2.09 2.01 2en1A2 GLU 38 HB3 -0.02 0.02 0.19 -0.04 1.99 2.14 2en1A2 GLU 38 HG2 -0.00 0.00 -0.10 -0.04 2.34 2.20 2en1A2 GLU 38 HG3 -0.00 0.02 0.03 -0.04 2.34 2.35 2en1A2 LYS 39 H 0.01 0.25 0.10 -0.55 8.42 8.23 2en1A2 LYS 39 HA 0.03 0.16 0.77 -0.75 4.32 4.53 2en1A2 LYS 39 HB2 0.04 0.05 0.04 -0.04 1.87 1.95 2en1A2 LYS 39 HB3 0.05 0.12 -0.13 -0.04 1.79 1.79 2en1A2 LYS 39 HG2 0.02 0.01 -0.10 -0.04 1.46 1.36 2en1A2 LYS 39 HG3 0.02 -0.07 -0.03 -0.04 1.46 1.34 2en1A2 LYS 39 HD2 0.01 -0.09 -0.52 -0.04 1.69 1.06 2en1A2 LYS 39 HD3 0.02 0.11 -0.22 -0.04 1.68 1.55 2en1A2 LYS 39 HE2 0.01 -0.01 -0.07 -0.04 2.99 2.88 2en1A2 LYS 39 HE3 0.01 -0.08 -0.09 -0.04 2.99 2.79 2en1A2 PRO 40 HA 0.01 -0.02 0.48 -0.51 4.44 4.40 2en1A2 PRO 40 HB2 0.01 0.13 0.01 -0.04 2.28 2.39 2en1A2 PRO 40 HB3 0.01 -0.02 0.11 -0.04 2.02 2.09 2en1A2 PRO 40 HG2 0.02 0.05 0.10 -0.04 2.03 2.16 2en1A2 PRO 40 HG3 0.02 0.03 0.09 -0.04 2.03 2.13 2en1A2 PRO 40 HD2 0.04 0.11 0.23 -0.04 3.68 4.02 2en1A2 PRO 40 HD3 0.03 0.13 0.16 -0.04 3.65 3.93 2en1A2 SER 41 H 0.01 0.04 0.18 -0.55 8.46 8.15 2en1A2 SER 41 HA 0.01 0.02 0.33 -0.75 4.49 4.09 2en1A2 SER 41 HB2 0.01 0.00 0.02 -0.04 3.95 3.93 2en1A2 SER 41 HB3 0.01 0.00 0.14 -0.04 3.93 4.04 2en1A2 GLY 42 H 0.01 0.09 0.01 -0.55 8.43 7.99 2en1A2 GLY 42 HA2 0.01 0.05 0.52 -0.51 4.01 4.08 2en1A2 GLY 42 HA3 0.01 0.10 0.34 -0.51 4.01 3.95 2en1A2 PRO 43 HA 0.00 0.04 0.46 -0.51 4.44 4.44 2en1A2 PRO 43 HB2 0.00 0.01 -0.02 -0.04 2.28 2.24 2en1A2 PRO 43 HB3 0.00 0.04 0.07 -0.04 2.02 2.10 2en1A2 PRO 43 HG2 0.01 0.01 0.14 -0.04 2.03 2.14 2en1A2 PRO 43 HG3 0.01 0.07 0.06 -0.04 2.03 2.13 2en1A2 PRO 43 HD2 0.01 0.07 0.18 -0.04 3.68 3.90 2en1A2 PRO 43 HD3 0.01 0.17 0.13 -0.04 3.65 3.92 2en1A2 SER 44 H 0.00 0.18 0.20 -0.55 8.46 8.30 2en1A2 SER 44 HA 0.00 0.07 0.40 -0.75 4.49 4.21 2en1A2 SER 44 HB2 0.00 0.07 0.16 -0.04 3.95 4.14 2en1A2 SER 44 HB3 0.00 -0.03 0.22 -0.04 3.93 4.08 2en1A2 SER 45 H 0.00 0.36 0.25 -0.55 8.46 8.53 2en1A2 SER 45 HA 0.00 0.08 0.67 -0.75 4.49 4.48 2en1A2 SER 45 HB2 0.00 0.07 0.06 -0.04 3.95 4.04 2en1A2 SER 45 HB3 0.00 0.01 0.22 -0.04 3.93 4.12 2en1A2 GLY 46 H 0.00 0.27 0.04 -0.55 8.43 8.19 2en1A2 GLY 46 HA2 0.00 0.04 0.17 -0.51 4.01 3.71 2en1A2 GLY 46 HA3 0.00 0.08 0.17 -0.51 4.01 3.75