============================================================================= 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 10.856 -1.560 -7.346 -99.200 -91.000 PHE 22 1.000 5.592 -2.867 -1.260 -99.200 -91.000 HIS 29 0.900 5.096 -6.499 -10.026 -99.200 -91.000 HIS 31 0.900 0.759 -4.140 -0.695 -99.200 -91.000 HIS 35 0.900 -4.334 -3.124 -2.583 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2en1A15 GLY 1 HA2 -0.00 -0.02 0.15 -0.51 4.01 3.64 2en1A15 GLY 1 HA3 -0.00 -0.09 0.20 -0.51 4.01 3.61 2en1A15 SER 2 H -0.00 0.11 0.02 -0.55 8.46 8.05 2en1A15 SER 2 HA -0.00 0.13 0.70 -0.75 4.49 4.56 2en1A15 SER 2 HB2 -0.00 0.04 0.09 -0.04 3.95 4.03 2en1A15 SER 2 HB3 -0.00 -0.01 0.07 -0.04 3.93 3.94 2en1A15 SER 3 H -0.00 0.41 -0.01 -0.55 8.46 8.32 2en1A15 SER 3 HA -0.00 0.04 0.52 -0.75 4.49 4.30 2en1A15 SER 3 HB2 -0.00 -0.03 -0.00 -0.04 3.95 3.87 2en1A15 SER 3 HB3 -0.00 0.07 -0.36 -0.04 3.93 3.59 2en1A15 GLY 4 H -0.00 0.19 -0.07 -0.55 8.43 8.00 2en1A15 GLY 4 HA2 -0.00 0.01 0.34 -0.51 4.01 3.85 2en1A15 GLY 4 HA3 -0.00 0.22 0.90 -0.51 4.01 4.62 2en1A15 SER 5 H -0.00 0.21 -0.12 -0.55 8.46 8.00 2en1A15 SER 5 HA -0.00 0.11 0.75 -0.75 4.49 4.59 2en1A15 SER 5 HB2 -0.01 -0.02 0.03 -0.04 3.95 3.92 2en1A15 SER 5 HB3 -0.00 0.03 0.04 -0.04 3.93 3.96 2en1A15 SER 6 H -0.00 0.15 0.15 -0.55 8.46 8.21 2en1A15 SER 6 HA -0.00 0.06 0.29 -0.75 4.49 4.08 2en1A15 SER 6 HB2 -0.00 -0.03 0.09 -0.04 3.95 3.97 2en1A15 SER 6 HB3 -0.00 0.03 -0.05 -0.04 3.93 3.86 2en1A15 GLY 7 H -0.01 0.04 -0.18 -0.55 8.43 7.74 2en1A15 GLY 7 HA2 -0.01 0.02 0.17 -0.51 4.01 3.67 2en1A15 GLY 7 HA3 -0.01 0.24 0.92 -0.51 4.01 4.65 2en1A15 SER 8 H -0.01 0.24 0.13 -0.55 8.46 8.27 2en1A15 SER 8 HA -0.02 0.10 0.91 -0.75 4.49 4.73 2en1A15 SER 8 HB2 -0.02 0.07 0.05 -0.04 3.95 4.00 2en1A15 SER 8 HB3 -0.03 -0.03 -0.07 -0.04 3.93 3.75 2en1A15 GLY 9 H -0.01 0.08 0.03 -0.55 8.43 7.98 2en1A15 GLY 9 HA2 -0.00 0.12 0.37 -0.51 4.01 3.99 2en1A15 GLY 9 HA3 0.00 -0.06 0.39 -0.51 4.01 3.83 2en1A15 GLU 10 H 0.01 0.15 0.13 -0.55 8.60 8.34 2en1A15 GLU 10 HA -0.00 0.24 0.86 -0.75 4.29 4.63 2en1A15 GLU 10 HB2 0.01 -0.04 0.05 -0.04 2.09 2.07 2en1A15 GLU 10 HB3 0.00 0.01 -0.04 -0.04 1.99 1.92 2en1A15 GLU 10 HG2 -0.00 0.00 -0.50 -0.04 2.34 1.80 2en1A15 GLU 10 HG3 -0.00 -0.01 -0.08 -0.04 2.34 2.20 2en1A15 LYS 11 H 0.01 0.27 0.01 -0.55 8.42 8.15 2en1A15 LYS 11 HA 0.08 0.17 0.78 -0.75 4.32 4.60 2en1A15 LYS 11 HB2 0.02 0.04 0.00 -0.04 1.87 1.89 2en1A15 LYS 11 HB3 0.12 0.11 -0.08 -0.04 1.79 1.90 2en1A15 LYS 11 HG2 0.06 0.07 -0.32 -0.04 1.46 1.22 2en1A15 LYS 11 HG3 0.00 -0.05 -0.66 -0.04 1.46 0.71 2en1A15 LYS 11 HD2 -0.09 -0.04 -0.44 -0.04 1.69 1.07 2en1A15 LYS 11 HD3 -0.01 -0.22 -0.38 -0.04 1.68 1.02 2en1A15 LYS 11 HE2 -0.04 -0.03 -0.13 -0.04 2.99 2.74 2en1A15 LYS 11 HE3 -0.04 -0.00 -0.24 -0.04 2.99 2.66 2en1A15 PRO 12 HA -0.11 0.10 0.41 -0.51 4.44 4.34 2en1A15 PRO 12 HB2 -0.55 0.00 -0.01 -0.04 2.28 1.68 2en1A15 PRO 12 HB3 -0.17 0.03 0.09 -0.04 2.02 1.92 2en1A15 PRO 12 HG2 -0.42 -0.01 0.02 -0.04 2.03 1.58 2en1A15 PRO 12 HG3 -0.07 0.05 0.07 -0.04 2.03 2.03 2en1A15 PRO 12 HD2 0.18 0.15 0.30 -0.04 3.68 4.28 2en1A15 PRO 12 HD3 0.03 0.13 0.06 -0.04 3.65 3.83 2en1A15 PHE 13 H 0.21 0.25 -0.20 -0.55 8.34 8.05 2en1A15 PHE 13 HA 0.10 0.15 0.78 -0.75 4.62 4.90 2en1A15 PHE 13 HB2 0.22 0.04 0.02 -0.04 3.15 3.39 2en1A15 PHE 13 HB3 0.17 -0.05 -0.09 -0.04 3.06 3.06 2en1A15 PHE 13 HD2 0.08 0.16 -0.16 -0.04 7.28 7.33 2en1A15 PHE 13 HE2 0.01 0.14 -0.07 -0.04 7.38 7.42 2en1A15 PHE 13 HZ 0.00 0.05 0.00 -0.04 7.32 7.33 2en1A15 LYS 14 H 0.20 0.22 0.13 -0.55 8.42 8.42 2en1A15 LYS 14 HA 0.18 0.25 0.94 -0.75 4.32 4.93 2en1A15 LYS 14 HB2 0.06 0.07 -0.17 -0.04 1.87 1.79 2en1A15 LYS 14 HB3 0.07 -0.06 0.01 -0.04 1.79 1.76 2en1A15 LYS 14 HG2 0.07 -0.16 -0.54 -0.04 1.46 0.79 2en1A15 LYS 14 HG3 0.03 0.30 -0.12 -0.04 1.46 1.63 2en1A15 LYS 14 HD2 0.02 -0.01 -0.08 -0.04 1.69 1.58 2en1A15 LYS 14 HD3 0.03 -0.08 -0.13 -0.04 1.68 1.45 2en1A15 LYS 14 HE2 0.02 -0.03 -0.10 -0.04 2.99 2.84 2en1A15 LYS 14 HE3 0.01 0.22 -0.02 -0.04 2.99 3.17 2en1A15 CYS 15 H 0.24 0.46 -0.20 -0.55 8.50 8.46 2en1A15 CYS 15 HA 0.20 0.08 0.50 -0.75 4.58 4.61 2en1A15 CYS 15 HB2 0.59 0.08 0.03 -0.04 2.97 3.63 2en1A15 CYS 15 HB3 0.28 -0.32 0.28 -0.04 2.97 3.17 2en1A15 GLU 16 H 0.07 0.31 0.27 -0.55 8.60 8.70 2en1A15 GLU 16 HA 0.02 0.12 0.23 -0.75 4.29 3.91 2en1A15 GLU 16 HB2 -0.01 0.01 -0.03 -0.04 2.09 2.02 2en1A15 GLU 16 HB3 0.00 0.05 0.07 -0.04 1.99 2.07 2en1A15 GLU 16 HG2 0.02 0.02 0.06 -0.04 2.34 2.39 2en1A15 GLU 16 HG3 0.05 0.12 0.12 -0.04 2.34 2.59 2en1A15 GLU 17 H -0.03 -0.10 -0.51 -0.55 8.60 7.41 2en1A15 GLU 17 HA -0.18 0.12 0.35 -0.75 4.29 3.82 2en1A15 GLU 17 HB2 -0.59 -0.13 0.03 -0.04 2.09 1.37 2en1A15 GLU 17 HB3 -0.90 0.11 0.00 -0.04 1.99 1.16 2en1A15 GLU 17 HG2 -0.12 0.04 -0.00 -0.04 2.34 2.21 2en1A15 GLU 17 HG3 -0.07 -0.14 0.03 -0.04 2.34 2.13 2en1A15 CYS 18 H -0.03 -0.10 -0.09 -0.55 8.50 7.74 2en1A15 CYS 18 HA 0.00 0.28 0.92 -0.75 4.58 5.02 2en1A15 CYS 18 HB2 0.14 0.05 0.01 -0.04 2.97 3.13 2en1A15 CYS 18 HB3 0.26 0.02 -0.07 -0.04 2.97 3.15 2en1A15 GLY 19 H 0.09 -0.02 0.27 -0.55 8.43 8.22 2en1A15 GLY 19 HA2 0.03 0.03 0.17 -0.51 4.01 3.74 2en1A15 GLY 19 HA3 0.02 0.21 0.89 -0.51 4.01 4.62 2en1A15 LYS 20 H 0.11 -0.15 0.20 -0.55 8.42 8.02 2en1A15 LYS 20 HA -0.12 0.18 0.42 -0.75 4.32 4.04 2en1A15 LYS 20 HB2 0.08 -0.11 0.15 -0.04 1.87 1.95 2en1A15 LYS 20 HB3 -0.53 0.04 0.12 -0.04 1.79 1.37 2en1A15 LYS 20 HG2 -0.16 0.08 0.04 -0.04 1.46 1.38 2en1A15 LYS 20 HG3 -0.00 0.00 0.02 -0.04 1.46 1.43 2en1A15 LYS 20 HD2 -0.85 -0.00 0.00 -0.04 1.69 0.80 2en1A15 LYS 20 HD3 -0.57 0.01 0.04 -0.04 1.68 1.12 2en1A15 LYS 20 HE2 -0.12 0.01 0.01 -0.04 2.99 2.84 2en1A15 LYS 20 HE3 -0.18 0.02 0.02 -0.04 2.99 2.80 2en1A15 ARG 21 H -0.63 0.23 0.22 -0.55 8.46 7.72 2en1A15 ARG 21 HA -0.02 0.27 0.90 -0.75 4.34 4.74 2en1A15 ARG 21 HB2 -0.17 -0.07 -0.03 -0.04 1.90 1.59 2en1A15 ARG 21 HB3 -0.05 0.03 0.07 -0.04 1.80 1.81 2en1A15 ARG 21 HG2 -0.02 0.18 -0.10 -0.04 1.67 1.69 2en1A15 ARG 21 HG3 -0.08 -0.01 -0.31 -0.04 1.67 1.23 2en1A15 ARG 21 HD2 -0.03 -0.09 -0.07 -0.04 3.22 2.99 2en1A15 ARG 21 HD3 -0.00 0.09 -0.04 -0.04 3.22 3.23 2en1A15 PHE 22 H 0.23 0.76 0.26 -0.55 8.34 9.04 2en1A15 PHE 22 HA 0.03 0.14 0.67 -0.75 4.62 4.71 2en1A15 PHE 22 HB2 0.01 0.02 -0.02 -0.04 3.15 3.11 2en1A15 PHE 22 HB3 -0.03 -0.08 0.13 -0.04 3.06 3.04 2en1A15 PHE 22 HD2 0.04 -0.00 -0.25 -0.04 7.28 7.02 2en1A15 PHE 22 HE2 -0.03 -0.02 -0.16 -0.04 7.38 7.13 2en1A15 PHE 22 HZ -0.73 0.01 -0.05 -0.04 7.32 6.50 2en1A15 THR 23 H 0.16 0.19 0.18 -0.55 8.28 8.26 2en1A15 THR 23 HA 0.22 0.17 0.69 -0.75 4.39 4.72 2en1A15 THR 23 HB 0.08 0.05 0.15 -0.04 4.32 4.56 2en1A15 THR 23 HG23 0.06 0.00 -0.02 -0.04 1.22 1.22 2en1A15 GLN 24 H 0.03 0.05 -0.16 -0.55 8.47 7.85 2en1A15 GLN 24 HA -0.30 0.26 0.80 -0.75 4.36 4.36 2en1A15 GLN 24 HB2 -0.08 -0.01 -0.02 -0.04 2.15 2.01 2en1A15 GLN 24 HB3 -0.20 -0.13 -0.03 -0.04 2.02 1.62 2en1A15 GLN 24 HG2 0.01 0.27 -0.05 -0.04 2.40 2.58 2en1A15 GLN 24 HG3 -0.03 0.04 -0.05 -0.04 2.39 2.31 2en1A15 GLN 24 HE21 -0.02 0.03 0.04 -0.04 6.97 6.97 2en1A15 GLN 24 HE22 -0.02 0.04 0.01 -0.04 7.69 7.68 2en1A15 ASN 25 H -0.92 0.26 0.12 -0.55 8.53 7.45 2en1A15 ASN 25 HA -0.95 0.09 0.39 -0.75 4.76 3.54 2en1A15 ASN 25 HB2 -0.44 0.06 -0.01 -0.04 2.88 2.45 2en1A15 ASN 25 HB3 -0.20 0.10 0.09 -0.04 2.79 2.74 2en1A15 ASN 25 HD21 -0.15 0.09 0.04 -0.04 7.03 6.97 2en1A15 ASN 25 HD22 -0.28 0.07 -0.05 -0.04 7.74 7.44 2en1A15 SER 26 H -0.30 0.14 -0.06 -0.55 8.46 7.70 2en1A15 SER 26 HA -0.16 0.10 0.27 -0.75 4.49 3.95 2en1A15 SER 26 HB2 -0.12 0.06 0.07 -0.04 3.95 3.92 2en1A15 SER 26 HB3 -0.13 -0.06 0.01 -0.04 3.93 3.71 2en1A15 GLN 27 H -0.23 0.03 -0.63 -0.55 8.47 7.09 2en1A15 GLN 27 HA -0.14 0.12 0.37 -0.75 4.36 3.95 2en1A15 GLN 27 HB2 -0.09 0.11 0.14 -0.04 2.15 2.27 2en1A15 GLN 27 HB3 0.10 0.06 0.00 -0.04 2.02 2.14 2en1A15 GLN 27 HG2 -0.00 0.08 -0.00 -0.04 2.40 2.43 2en1A15 GLN 27 HG3 -0.05 -0.08 -0.01 -0.04 2.39 2.21 2en1A15 GLN 27 HE21 0.07 0.03 0.03 -0.04 6.97 7.06 2en1A15 GLN 27 HE22 0.05 0.05 0.01 -0.04 7.69 7.76 2en1A15 LEU 28 H -0.52 0.35 -0.01 -0.55 8.37 7.64 2en1A15 LEU 28 HA -1.88 0.03 0.33 -0.75 4.35 2.07 2en1A15 LEU 28 HB2 -0.03 -0.01 -0.08 -0.04 1.64 1.48 2en1A15 LEU 28 HB3 -0.08 0.07 0.14 -0.04 1.64 1.72 2en1A15 LEU 28 HG 0.06 0.04 -0.33 -0.04 1.64 1.37 2en1A15 LEU 28 HD13 0.26 -0.03 -0.18 -0.04 0.93 0.94 2en1A15 LEU 28 HD23 0.31 0.01 -0.22 -0.04 0.89 0.95 2en1A15 HIS 29 H -0.01 0.73 -0.05 -0.55 8.41 8.54 2en1A15 HIS 29 HA -0.08 0.01 0.36 -0.75 4.63 4.17 2en1A15 HIS 29 HB2 -0.12 0.04 -0.07 -0.04 3.26 3.07 2en1A15 HIS 29 HB3 -0.07 0.03 -0.04 -0.04 3.20 3.08 2en1A15 HIS 29 HD2 -0.04 -0.07 -0.03 -0.04 6.97 6.79 2en1A15 HIS 29 HE1 0.01 0.03 -0.02 -0.04 7.75 7.72 2en1A15 SER 30 H -0.12 0.28 -0.67 -0.55 8.46 7.41 2en1A15 SER 30 HA -0.03 0.06 0.57 -0.75 4.49 4.34 2en1A15 SER 30 HB2 -0.05 0.05 0.13 -0.04 3.95 4.03 2en1A15 SER 30 HB3 -0.08 0.06 0.18 -0.04 3.93 4.05 2en1A15 HIS 31 H -0.12 0.35 -0.20 -0.55 8.41 7.90 2en1A15 HIS 31 HA -0.01 0.15 0.77 -0.75 4.63 4.78 2en1A15 HIS 31 HB2 0.10 0.01 0.07 -0.04 3.26 3.39 2en1A15 HIS 31 HB3 -0.34 0.06 0.21 -0.04 3.20 3.09 2en1A15 HIS 31 HD2 0.11 0.04 0.03 -0.04 6.97 7.11 2en1A15 HIS 31 HE1 0.34 -0.09 -0.03 -0.04 7.75 7.92 2en1A15 GLN 32 H -0.05 0.76 0.14 -0.55 8.47 8.78 2en1A15 GLN 32 HA -0.03 -0.02 0.34 -0.75 4.36 3.89 2en1A15 GLN 32 HB2 -0.10 0.12 0.08 -0.04 2.15 2.21 2en1A15 GLN 32 HB3 -0.06 0.00 0.02 -0.04 2.02 1.95 2en1A15 GLN 32 HG2 0.08 -0.12 0.05 -0.04 2.40 2.37 2en1A15 GLN 32 HG3 0.00 0.14 -0.06 -0.04 2.39 2.43 2en1A15 GLN 32 HE21 0.06 -0.09 -0.01 -0.04 6.97 6.88 2en1A15 GLN 32 HE22 -0.03 0.06 0.00 -0.04 7.69 7.69 2en1A15 ARG 33 H -0.10 0.17 -1.00 -0.55 8.46 6.99 2en1A15 ARG 33 HA -0.05 0.02 0.34 -0.75 4.34 3.89 2en1A15 ARG 33 HB2 -0.06 0.10 -0.04 -0.04 1.90 1.85 2en1A15 ARG 33 HB3 -0.04 -0.03 0.04 -0.04 1.80 1.73 2en1A15 ARG 33 HG2 -0.04 -0.00 0.01 -0.04 1.67 1.59 2en1A15 ARG 33 HG3 -0.05 0.15 -0.17 -0.04 1.67 1.56 2en1A15 ARG 33 HD2 -0.02 -0.02 0.06 -0.04 3.22 3.19 2en1A15 ARG 33 HD3 -0.02 0.01 0.04 -0.04 3.22 3.21 2en1A15 VAL 34 H -0.22 0.73 -0.21 -0.55 8.24 7.98 2en1A15 VAL 34 HA -0.14 0.05 0.37 -0.75 4.13 3.66 2en1A15 VAL 34 HB -0.23 -0.01 0.07 -0.04 2.12 1.91 2en1A15 VAL 34 HG13 -0.10 -0.03 0.11 -0.04 0.97 0.90 2en1A15 VAL 34 HG23 -0.75 -0.01 -0.11 -0.04 0.95 0.04 2en1A15 HIS 35 H -0.12 0.39 -0.48 -0.55 8.41 7.65 2en1A15 HIS 35 HA -0.05 0.17 0.66 -0.75 4.63 4.67 2en1A15 HIS 35 HB2 -0.08 0.10 0.10 -0.04 3.26 3.34 2en1A15 HIS 35 HB3 -0.04 0.02 0.01 -0.04 3.20 3.15 2en1A15 HIS 35 HD2 -0.01 0.08 -0.06 -0.04 6.97 6.93 2en1A15 HIS 35 HE1 0.17 -0.10 -0.08 -0.04 7.75 7.69 2en1A15 THR 36 H -0.01 0.21 -0.05 -0.55 8.28 7.89 2en1A15 THR 36 HA 0.01 0.09 0.47 -0.75 4.39 4.21 2en1A15 THR 36 HB -0.01 -0.04 0.07 -0.04 4.32 4.30 2en1A15 THR 36 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.06 2en1A15 GLY 37 H -0.03 0.38 -0.33 -0.55 8.43 7.90 2en1A15 GLY 37 HA2 -0.02 0.04 0.44 -0.51 4.01 3.96 2en1A15 GLY 37 HA3 -0.03 -0.01 0.31 -0.51 4.01 3.78 2en1A15 GLU 38 H -0.00 0.48 -0.98 -0.55 8.60 7.55 2en1A15 GLU 38 HA -0.00 -0.04 0.52 -0.75 4.29 4.01 2en1A15 GLU 38 HB2 -0.01 0.08 -0.12 -0.04 2.09 2.00 2en1A15 GLU 38 HB3 0.01 0.09 -0.12 -0.04 1.99 1.93 2en1A15 GLU 38 HG2 0.01 -0.08 -0.06 -0.04 2.34 2.17 2en1A15 GLU 38 HG3 0.01 0.15 -0.36 -0.04 2.34 2.11 2en1A15 LYS 39 H 0.00 0.05 0.09 -0.55 8.42 8.01 2en1A15 LYS 39 HA 0.00 0.07 0.47 -0.75 4.32 4.11 2en1A15 LYS 39 HB2 0.00 -0.05 0.13 -0.04 1.87 1.91 2en1A15 LYS 39 HB3 0.00 0.10 0.06 -0.04 1.79 1.92 2en1A15 LYS 39 HG2 -0.00 -0.01 0.05 -0.04 1.46 1.46 2en1A15 LYS 39 HG3 -0.00 0.02 0.04 -0.04 1.46 1.48 2en1A15 LYS 39 HD2 -0.00 -0.04 0.03 -0.04 1.69 1.64 2en1A15 LYS 39 HD3 -0.00 0.00 0.06 -0.04 1.68 1.70 2en1A15 LYS 39 HE2 -0.00 0.00 -0.00 -0.04 2.99 2.95 2en1A15 LYS 39 HE3 -0.00 -0.01 -0.00 -0.04 2.99 2.94 2en1A15 PRO 40 HA 0.01 0.10 0.40 -0.51 4.44 4.44 2en1A15 PRO 40 HB2 0.00 -0.01 -0.10 -0.04 2.28 2.13 2en1A15 PRO 40 HB3 0.00 0.05 0.08 -0.04 2.02 2.11 2en1A15 PRO 40 HG2 0.00 0.02 -0.03 -0.04 2.03 1.98 2en1A15 PRO 40 HG3 -0.00 0.01 0.04 -0.04 2.03 2.04 2en1A15 PRO 40 HD2 0.00 0.04 0.23 -0.04 3.68 3.91 2en1A15 PRO 40 HD3 0.00 0.20 0.23 -0.04 3.65 4.05 2en1A15 SER 41 H 0.00 0.14 0.05 -0.55 8.46 8.11 2en1A15 SER 41 HA 0.00 0.21 0.91 -0.75 4.49 4.86 2en1A15 SER 41 HB2 0.01 0.05 0.01 -0.04 3.95 3.98 2en1A15 SER 41 HB3 0.01 -0.02 0.21 -0.04 3.93 4.09 2en1A15 GLY 42 H 0.00 0.35 -0.10 -0.55 8.43 8.14 2en1A15 GLY 42 HA2 0.00 0.03 0.29 -0.51 4.01 3.82 2en1A15 GLY 42 HA3 0.00 0.10 0.41 -0.51 4.01 4.01 2en1A15 PRO 43 HA -0.00 0.05 0.44 -0.51 4.44 4.42 2en1A15 PRO 43 HB2 -0.00 -0.01 0.01 -0.04 2.28 2.24 2en1A15 PRO 43 HB3 -0.00 0.03 0.09 -0.04 2.02 2.10 2en1A15 PRO 43 HG2 -0.00 0.02 0.14 -0.04 2.03 2.15 2en1A15 PRO 43 HG3 -0.00 0.04 0.09 -0.04 2.03 2.13 2en1A15 PRO 43 HD2 -0.00 0.13 0.18 -0.04 3.68 3.95 2en1A15 PRO 43 HD3 0.00 0.13 0.17 -0.04 3.65 3.91 2en1A15 SER 44 H -0.00 0.21 0.11 -0.55 8.46 8.23 2en1A15 SER 44 HA -0.00 0.12 0.92 -0.75 4.49 4.77 2en1A15 SER 44 HB2 -0.00 0.01 0.16 -0.04 3.95 4.08 2en1A15 SER 44 HB3 -0.00 0.10 0.04 -0.04 3.93 4.02 2en1A15 SER 45 H -0.00 0.19 -0.04 -0.55 8.46 8.06 2en1A15 SER 45 HA -0.00 0.02 0.31 -0.75 4.49 4.07 2en1A15 SER 45 HB2 -0.00 -0.05 0.09 -0.04 3.95 3.94 2en1A15 SER 45 HB3 -0.00 0.01 -0.02 -0.04 3.93 3.89 2en1A15 GLY 46 H -0.00 -0.03 -0.38 -0.55 8.43 7.47 2en1A15 GLY 46 HA2 -0.00 0.27 0.76 -0.51 4.01 4.53 2en1A15 GLY 46 HA3 -0.00 0.00 0.11 -0.51 4.01 3.61