============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 13 0.840 -6.241 0.299 -0.444 -99.200 -91.000 PHE 22 1.000 -1.363 -0.488 7.112 -99.200 -91.000 HIS 24 0.900 -10.420 3.656 2.957 -99.200 -91.000 TYR 27 0.840 -8.847 3.415 8.394 -99.200 -91.000 HIS 31 0.900 2.627 1.405 8.745 -99.200 -91.000 HIS 35 0.900 7.606 2.191 6.853 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eneA14 GLY 1 HA2 -0.00 -0.11 0.18 -0.51 4.01 3.57 2eneA14 GLY 1 HA3 -0.00 0.02 0.19 -0.51 4.01 3.71 2eneA14 SER 2 H -0.00 0.08 0.10 -0.55 8.46 8.09 2eneA14 SER 2 HA -0.00 0.13 0.47 -0.75 4.49 4.34 2eneA14 SER 2 HB2 -0.00 -0.01 0.03 -0.04 3.95 3.93 2eneA14 SER 2 HB3 0.00 0.02 0.09 -0.04 3.93 4.01 2eneA14 SER 3 H -0.00 -0.03 -0.09 -0.55 8.46 7.79 2eneA14 SER 3 HA -0.00 -0.03 0.30 -0.75 4.49 4.01 2eneA14 SER 3 HB2 -0.00 -0.01 -0.00 -0.04 3.95 3.89 2eneA14 SER 3 HB3 -0.00 0.02 -0.15 -0.04 3.93 3.76 2eneA14 GLY 4 H -0.00 0.08 0.13 -0.55 8.43 8.09 2eneA14 GLY 4 HA2 -0.00 0.22 0.92 -0.51 4.01 4.64 2eneA14 GLY 4 HA3 -0.00 0.02 0.30 -0.51 4.01 3.82 2eneA14 SER 5 H -0.00 0.24 0.05 -0.55 8.46 8.21 2eneA14 SER 5 HA -0.00 0.03 0.42 -0.75 4.49 4.18 2eneA14 SER 5 HB2 -0.00 0.01 0.12 -0.04 3.95 4.04 2eneA14 SER 5 HB3 -0.00 -0.01 -0.07 -0.04 3.93 3.80 2eneA14 SER 6 H -0.00 0.19 0.19 -0.55 8.46 8.29 2eneA14 SER 6 HA -0.00 0.12 0.54 -0.75 4.49 4.39 2eneA14 SER 6 HB2 -0.00 -0.02 0.23 -0.04 3.95 4.12 2eneA14 SER 6 HB3 -0.00 0.00 0.15 -0.04 3.93 4.04 2eneA14 GLY 7 H -0.00 0.42 0.04 -0.55 8.43 8.34 2eneA14 GLY 7 HA2 0.00 0.14 0.52 -0.51 4.01 4.15 2eneA14 GLY 7 HA3 -0.00 -0.05 0.25 -0.51 4.01 3.71 2eneA14 THR 8 H 0.00 0.18 0.02 -0.55 8.28 7.93 2eneA14 THR 8 HA 0.00 0.20 0.97 -0.75 4.39 4.81 2eneA14 THR 8 HB 0.00 -0.01 0.20 -0.04 4.32 4.48 2eneA14 THR 8 HG23 0.01 -0.01 -0.02 -0.04 1.22 1.16 2eneA14 GLY 9 H 0.00 0.25 -0.09 -0.55 8.43 8.05 2eneA14 GLY 9 HA2 0.00 0.18 0.78 -0.51 4.01 4.46 2eneA14 GLY 9 HA3 -0.00 0.03 0.32 -0.51 4.01 3.85 2eneA14 GLU 10 H 0.01 0.20 -0.10 -0.55 8.60 8.16 2eneA14 GLU 10 HA 0.01 0.17 0.82 -0.75 4.29 4.54 2eneA14 GLU 10 HB2 0.01 -0.06 0.06 -0.04 2.09 2.06 2eneA14 GLU 10 HB3 0.01 0.04 -0.05 -0.04 1.99 1.95 2eneA14 GLU 10 HG2 0.00 0.00 -0.04 -0.04 2.34 2.26 2eneA14 GLU 10 HG3 0.00 0.15 0.04 -0.04 2.34 2.49 2eneA14 LYS 11 H 0.03 0.23 0.10 -0.55 8.42 8.22 2eneA14 LYS 11 HA 0.06 0.22 1.00 -0.75 4.32 4.84 2eneA14 LYS 11 HB2 0.08 -0.05 0.05 -0.04 1.87 1.92 2eneA14 LYS 11 HB3 0.17 0.13 0.18 -0.04 1.79 2.22 2eneA14 LYS 11 HG2 0.12 -0.07 -0.22 -0.04 1.46 1.24 2eneA14 LYS 11 HG3 0.10 0.04 0.06 -0.04 1.46 1.61 2eneA14 LYS 11 HD2 0.04 -0.13 -0.69 -0.04 1.69 0.87 2eneA14 LYS 11 HD3 0.03 0.01 -0.24 -0.04 1.68 1.44 2eneA14 LYS 11 HE2 0.04 -0.05 -0.11 -0.04 2.99 2.83 2eneA14 LYS 11 HE3 0.05 0.03 -0.08 -0.04 2.99 2.95 2eneA14 PRO 12 HA -0.11 0.10 0.40 -0.51 4.44 4.32 2eneA14 PRO 12 HB2 -0.50 -0.00 0.06 -0.04 2.28 1.80 2eneA14 PRO 12 HB3 -0.15 0.03 0.12 -0.04 2.02 1.98 2eneA14 PRO 12 HG2 -0.06 0.05 0.07 -0.04 2.03 2.05 2eneA14 PRO 12 HG3 -0.02 0.03 0.11 -0.04 2.03 2.11 2eneA14 PRO 12 HD2 0.14 0.14 0.32 -0.04 3.68 4.24 2eneA14 PRO 12 HD3 0.03 0.17 0.22 -0.04 3.65 4.03 2eneA14 TYR 13 H 0.15 0.14 -0.50 -0.55 8.29 7.54 2eneA14 TYR 13 HA 0.03 0.17 0.91 -0.75 4.56 4.92 2eneA14 TYR 13 HB2 0.12 0.17 -0.23 -0.04 3.06 3.07 2eneA14 TYR 13 HB3 0.06 -0.06 -0.22 -0.04 2.98 2.72 2eneA14 TYR 13 HD2 -0.00 0.11 -0.08 -0.04 7.15 7.14 2eneA14 TYR 13 HE2 -0.09 0.04 0.03 -0.04 6.85 6.79 2eneA14 LYS 14 H 0.11 0.27 0.11 -0.55 8.42 8.36 2eneA14 LYS 14 HA 0.25 0.04 0.95 -0.75 4.32 4.80 2eneA14 LYS 14 HB2 0.08 0.03 -0.09 -0.04 1.87 1.85 2eneA14 LYS 14 HB3 0.06 -0.04 -0.03 -0.04 1.79 1.75 2eneA14 LYS 14 HG2 0.09 0.13 -0.24 -0.04 1.46 1.40 2eneA14 LYS 14 HG3 0.07 0.10 0.01 -0.04 1.46 1.60 2eneA14 LYS 14 HD2 0.03 -0.06 -0.05 -0.04 1.69 1.58 2eneA14 LYS 14 HD3 0.04 -0.10 -0.15 -0.04 1.68 1.43 2eneA14 LYS 14 HE2 0.04 0.18 0.06 -0.04 2.99 3.24 2eneA14 LYS 14 HE3 0.03 -0.04 0.01 -0.04 2.99 2.95 2eneA14 CYS 15 H 0.25 0.83 0.19 -0.55 8.50 9.22 2eneA14 CYS 15 HA 0.11 0.07 0.69 -0.75 4.58 4.69 2eneA14 CYS 15 HB2 0.33 0.03 -0.01 -0.04 2.97 3.28 2eneA14 CYS 15 HB3 0.30 -0.01 0.02 -0.04 2.97 3.24 2eneA14 ASN 16 H 0.03 0.12 0.20 -0.55 8.53 8.33 2eneA14 ASN 16 HA 0.02 0.25 0.65 -0.75 4.76 4.93 2eneA14 ASN 16 HB2 -0.02 -0.03 0.07 -0.04 2.88 2.85 2eneA14 ASN 16 HB3 -0.01 0.06 0.03 -0.04 2.79 2.83 2eneA14 ASN 16 HD21 -0.00 -0.03 0.04 -0.04 7.03 7.00 2eneA14 ASN 16 HD22 0.01 0.03 0.01 -0.04 7.74 7.75 2eneA14 GLU 17 H -0.10 -0.05 0.04 -0.55 8.60 7.95 2eneA14 GLU 17 HA -0.18 0.14 0.39 -0.75 4.29 3.88 2eneA14 GLU 17 HB2 -0.84 -0.14 0.12 -0.04 2.09 1.20 2eneA14 GLU 17 HB3 -1.44 0.10 -0.03 -0.04 1.99 0.58 2eneA14 GLU 17 HG2 -0.25 0.09 0.03 -0.04 2.34 2.16 2eneA14 GLU 17 HG3 -0.18 -0.05 0.05 -0.04 2.34 2.11 2eneA14 CYS 18 H -0.02 -0.13 -0.19 -0.55 8.50 7.62 2eneA14 CYS 18 HA 0.08 0.28 0.84 -0.75 4.58 5.03 2eneA14 CYS 18 HB2 0.20 0.05 0.01 -0.04 2.97 3.19 2eneA14 CYS 18 HB3 0.43 0.05 -0.05 -0.04 2.97 3.35 2eneA14 GLY 19 H 0.12 -0.14 -0.19 -0.55 8.43 7.68 2eneA14 GLY 19 HA2 0.06 0.24 0.38 -0.51 4.01 4.18 2eneA14 GLY 19 HA3 0.05 0.20 0.86 -0.51 4.01 4.61 2eneA14 LYS 20 H 0.11 -0.01 -0.17 -0.55 8.42 7.79 2eneA14 LYS 20 HA -0.04 0.07 0.33 -0.75 4.32 3.92 2eneA14 LYS 20 HB2 0.07 -0.11 0.04 -0.04 1.87 1.83 2eneA14 LYS 20 HB3 -0.36 0.08 -0.01 -0.04 1.79 1.46 2eneA14 LYS 20 HG2 -0.09 0.04 0.06 -0.04 1.46 1.42 2eneA14 LYS 20 HG3 0.03 0.01 0.00 -0.04 1.46 1.46 2eneA14 LYS 20 HD2 -0.18 -0.04 -0.02 -0.04 1.69 1.41 2eneA14 LYS 20 HD3 -0.22 0.03 0.01 -0.04 1.68 1.45 2eneA14 LYS 20 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.94 2eneA14 LYS 20 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.96 2eneA14 VAL 21 H -0.21 0.14 0.23 -0.55 8.24 7.85 2eneA14 VAL 21 HA 0.18 0.12 1.13 -0.75 4.13 4.80 2eneA14 VAL 21 HB -0.05 -0.06 0.06 -0.04 2.12 2.03 2eneA14 VAL 21 HG13 0.08 0.04 0.07 -0.04 0.97 1.11 2eneA14 VAL 21 HG23 0.02 0.07 -0.08 -0.04 0.95 0.91 2eneA14 PHE 22 H 0.33 0.87 0.34 -0.55 8.34 9.33 2eneA14 PHE 22 HA 0.04 0.15 0.83 -0.75 4.62 4.89 2eneA14 PHE 22 HB2 0.09 0.01 -0.16 -0.04 3.15 3.04 2eneA14 PHE 22 HB3 0.08 -0.12 0.06 -0.04 3.06 3.04 2eneA14 PHE 22 HD2 0.04 -0.04 -0.28 -0.04 7.28 6.96 2eneA14 PHE 22 HE2 -0.12 0.01 -0.21 -0.04 7.38 7.02 2eneA14 PHE 22 HZ -1.40 0.00 -0.10 -0.04 7.32 5.79 2eneA14 ARG 23 H 0.24 0.08 0.16 -0.55 8.46 8.39 2eneA14 ARG 23 HA 0.20 0.19 0.78 -0.75 4.34 4.76 2eneA14 ARG 23 HB2 0.11 0.04 0.08 -0.04 1.90 2.09 2eneA14 ARG 23 HB3 0.20 -0.05 0.11 -0.04 1.80 2.02 2eneA14 ARG 23 HG2 0.13 0.04 0.09 -0.04 1.67 1.89 2eneA14 ARG 23 HG3 0.10 0.03 0.02 -0.04 1.67 1.77 2eneA14 ARG 23 HD2 0.17 -0.01 -0.06 -0.04 3.22 3.27 2eneA14 ARG 23 HD3 0.18 -0.03 -0.35 -0.04 3.22 2.99 2eneA14 HIS 24 H 0.32 0.04 0.13 -0.55 8.41 8.36 2eneA14 HIS 24 HA -0.42 0.28 0.95 -0.75 4.63 4.69 2eneA14 HIS 24 HB2 0.07 0.07 0.01 -0.04 3.26 3.37 2eneA14 HIS 24 HB3 -0.40 -0.14 0.02 -0.04 3.20 2.64 2eneA14 HIS 24 HD2 -0.03 0.07 0.01 -0.04 6.97 6.97 2eneA14 HIS 24 HE1 -0.16 0.05 0.04 -0.04 7.75 7.64 2eneA14 ASN 25 H -1.24 0.25 0.11 -0.55 8.53 7.10 2eneA14 ASN 25 HA -0.39 0.10 0.32 -0.75 4.76 4.03 2eneA14 ASN 25 HB2 -0.12 0.07 -0.03 -0.04 2.88 2.76 2eneA14 ASN 25 HB3 -0.26 0.10 0.08 -0.04 2.79 2.67 2eneA14 ASN 25 HD21 -0.67 0.07 0.11 -0.04 7.03 6.49 2eneA14 ASN 25 HD22 -0.44 0.07 0.08 -0.04 7.74 7.41 2eneA14 SER 26 H -0.02 0.12 -0.07 -0.55 8.46 7.94 2eneA14 SER 26 HA -0.09 0.09 0.31 -0.75 4.49 4.05 2eneA14 SER 26 HB2 -0.10 0.03 0.10 -0.04 3.95 3.93 2eneA14 SER 26 HB3 -0.55 -0.07 0.02 -0.04 3.93 3.30 2eneA14 TYR 27 H -0.38 0.03 -0.39 -0.55 8.29 7.00 2eneA14 TYR 27 HA 0.02 0.07 0.38 -0.75 4.56 4.28 2eneA14 TYR 27 HB2 0.12 0.03 0.13 -0.04 3.06 3.30 2eneA14 TYR 27 HB3 0.14 0.05 0.02 -0.04 2.98 3.15 2eneA14 TYR 27 HD2 0.05 -0.06 0.05 -0.04 7.15 7.15 2eneA14 TYR 27 HE2 -0.03 0.03 0.00 -0.04 6.85 6.81 2eneA14 LEU 28 H -0.02 0.37 -0.04 -0.55 8.37 8.13 2eneA14 LEU 28 HA -1.34 -0.01 0.29 -0.75 4.35 2.54 2eneA14 LEU 28 HB2 -0.56 -0.04 -0.04 -0.04 1.64 0.95 2eneA14 LEU 28 HB3 -0.24 0.10 0.13 -0.04 1.64 1.60 2eneA14 LEU 28 HG -0.21 0.02 -0.36 -0.04 1.64 1.05 2eneA14 LEU 28 HD13 -0.70 -0.02 -0.12 -0.04 0.93 0.04 2eneA14 LEU 28 HD23 0.02 0.00 -0.21 -0.04 0.89 0.67 2eneA14 SER 29 H -0.11 0.70 -0.28 -0.55 8.46 8.23 2eneA14 SER 29 HA -0.05 -0.03 0.31 -0.75 4.49 3.96 2eneA14 SER 29 HB2 -0.05 -0.07 0.01 -0.04 3.95 3.80 2eneA14 SER 29 HB3 -0.04 0.22 0.16 -0.04 3.93 4.24 2eneA14 ARG 30 H 0.00 0.39 -0.03 -0.55 8.46 8.27 2eneA14 ARG 30 HA 0.01 0.00 0.34 -0.75 4.34 3.93 2eneA14 ARG 30 HB2 0.09 0.12 0.12 -0.04 1.90 2.19 2eneA14 ARG 30 HB3 0.05 -0.03 0.06 -0.04 1.80 1.84 2eneA14 ARG 30 HG2 0.03 -0.03 0.07 -0.04 1.67 1.69 2eneA14 ARG 30 HG3 0.03 0.14 0.14 -0.04 1.67 1.94 2eneA14 ARG 30 HD2 0.07 -0.01 0.01 -0.04 3.22 3.25 2eneA14 ARG 30 HD3 0.07 -0.05 -0.01 -0.04 3.22 3.19 2eneA14 HIS 31 H 0.07 0.34 -0.55 -0.55 8.41 7.72 2eneA14 HIS 31 HA 0.03 0.03 0.52 -0.75 4.63 4.46 2eneA14 HIS 31 HB2 0.22 -0.04 0.04 -0.04 3.26 3.43 2eneA14 HIS 31 HB3 -0.23 0.17 0.21 -0.04 3.20 3.30 2eneA14 HIS 31 HD2 -0.04 -0.02 -0.06 -0.04 6.97 6.80 2eneA14 HIS 31 HE1 0.17 0.01 -0.07 -0.04 7.75 7.81 2eneA14 GLN 32 H -0.00 0.73 0.19 -0.55 8.47 8.84 2eneA14 GLN 32 HA 0.02 -0.10 0.32 -0.75 4.36 3.84 2eneA14 GLN 32 HB2 -0.02 0.19 0.13 -0.04 2.15 2.41 2eneA14 GLN 32 HB3 0.02 -0.05 0.02 -0.04 2.02 1.97 2eneA14 GLN 32 HG2 0.10 -0.13 0.06 -0.04 2.40 2.39 2eneA14 GLN 32 HG3 -0.02 0.07 -0.09 -0.04 2.39 2.31 2eneA14 GLN 32 HE21 0.04 -0.10 0.01 -0.04 6.97 6.87 2eneA14 GLN 32 HE22 0.02 0.04 -0.00 -0.04 7.69 7.71 2eneA14 ARG 33 H -0.07 0.35 -0.95 -0.55 8.46 7.23 2eneA14 ARG 33 HA -0.04 0.03 0.35 -0.75 4.34 3.93 2eneA14 ARG 33 HB2 -0.06 0.15 0.15 -0.04 1.90 2.10 2eneA14 ARG 33 HB3 -0.04 -0.04 0.01 -0.04 1.80 1.69 2eneA14 ARG 33 HG2 -0.02 -0.09 -0.02 -0.04 1.67 1.50 2eneA14 ARG 33 HG3 -0.02 0.12 0.04 -0.04 1.67 1.77 2eneA14 ARG 33 HD2 -0.01 -0.10 -0.01 -0.04 3.22 3.06 2eneA14 ARG 33 HD3 -0.01 0.01 0.05 -0.04 3.22 3.22 2eneA14 ILE 34 H -0.21 0.56 0.01 -0.55 8.25 8.06 2eneA14 ILE 34 HA -0.14 -0.03 0.27 -0.75 4.18 3.53 2eneA14 ILE 34 HB -0.25 -0.05 0.06 -0.04 1.89 1.61 2eneA14 ILE 34 HG12 -0.84 0.18 -0.10 -0.04 1.49 0.69 2eneA14 ILE 34 HG13 -1.20 0.05 -0.31 -0.04 1.21 -0.30 2eneA14 ILE 34 HG23 -0.13 -0.03 0.10 -0.04 0.93 0.83 2eneA14 ILE 34 HD13 -0.44 -0.04 -0.11 -0.04 0.88 0.25 2eneA14 HIS 35 H -0.21 0.43 -0.90 -0.55 8.41 7.18 2eneA14 HIS 35 HA -0.04 0.07 0.75 -0.75 4.63 4.66 2eneA14 HIS 35 HB2 -0.06 0.12 0.20 -0.04 3.26 3.48 2eneA14 HIS 35 HB3 -0.03 -0.06 0.03 -0.04 3.20 3.09 2eneA14 HIS 35 HD2 -0.01 0.07 -0.07 -0.04 6.97 6.91 2eneA14 HIS 35 HE1 0.17 -0.11 -0.08 -0.04 7.75 7.69 2eneA14 THR 36 H 0.05 0.33 0.15 -0.55 8.28 8.27 2eneA14 THR 36 HA 0.02 0.01 0.52 -0.75 4.39 4.19 2eneA14 THR 36 HB 0.01 0.00 0.03 -0.04 4.32 4.32 2eneA14 THR 36 HG23 0.02 -0.02 -0.01 -0.04 1.22 1.17 2eneA14 GLY 37 H 0.01 0.24 0.11 -0.55 8.43 8.25 2eneA14 GLY 37 HA2 -0.01 0.12 0.71 -0.51 4.01 4.32 2eneA14 GLY 37 HA3 -0.01 0.01 0.23 -0.51 4.01 3.73 2eneA14 GLU 38 H 0.00 0.17 0.12 -0.55 8.60 8.34 2eneA14 GLU 38 HA 0.00 -0.01 0.40 -0.75 4.29 3.92 2eneA14 GLU 38 HB2 0.01 0.01 0.20 -0.04 2.09 2.27 2eneA14 GLU 38 HB3 0.00 0.01 0.04 -0.04 1.99 2.00 2eneA14 GLU 38 HG2 -0.00 -0.01 0.08 -0.04 2.34 2.37 2eneA14 GLU 38 HG3 0.00 0.03 0.13 -0.04 2.34 2.46 2eneA14 LYS 39 H 0.00 0.10 0.31 -0.55 8.42 8.28 2eneA14 LYS 39 HA 0.00 0.18 0.94 -0.75 4.32 4.69 2eneA14 LYS 39 HB2 0.00 -0.08 0.12 -0.04 1.87 1.87 2eneA14 LYS 39 HB3 0.00 0.07 0.05 -0.04 1.79 1.86 2eneA14 LYS 39 HG2 0.00 0.16 -0.36 -0.04 1.46 1.23 2eneA14 LYS 39 HG3 0.00 -0.07 -0.04 -0.04 1.46 1.31 2eneA14 LYS 39 HD2 0.00 0.01 0.04 -0.04 1.69 1.70 2eneA14 LYS 39 HD3 0.00 0.05 0.01 -0.04 1.68 1.71 2eneA14 LYS 39 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.89 2eneA14 LYS 39 HE3 0.00 -0.04 -0.02 -0.04 2.99 2.90 2eneA14 PRO 40 HA 0.00 0.02 0.39 -0.51 4.44 4.34 2eneA14 PRO 40 HB2 0.00 0.08 0.02 -0.04 2.28 2.33 2eneA14 PRO 40 HB3 0.00 -0.01 0.09 -0.04 2.02 2.07 2eneA14 PRO 40 HG2 0.00 0.12 -0.04 -0.04 2.03 2.08 2eneA14 PRO 40 HG3 0.00 0.01 0.05 -0.04 2.03 2.06 2eneA14 PRO 40 HD2 0.00 0.11 0.19 -0.04 3.68 3.93 2eneA14 PRO 40 HD3 0.00 0.15 0.17 -0.04 3.65 3.94 2eneA14 SER 41 H 0.00 0.05 0.12 -0.55 8.46 8.08 2eneA14 SER 41 HA 0.00 -0.03 0.35 -0.75 4.49 4.06 2eneA14 SER 41 HB2 0.00 0.00 0.09 -0.04 3.95 4.00 2eneA14 SER 41 HB3 0.00 0.02 0.03 -0.04 3.93 3.94 2eneA14 GLY 42 H -0.00 0.03 0.16 -0.55 8.43 8.07 2eneA14 GLY 42 HA2 -0.00 0.01 0.34 -0.51 4.01 3.86 2eneA14 GLY 42 HA3 -0.00 0.08 0.44 -0.51 4.01 4.02 2eneA14 PRO 43 HA -0.00 0.18 0.40 -0.51 4.44 4.52 2eneA14 PRO 43 HB2 -0.00 0.03 -0.03 -0.04 2.28 2.24 2eneA14 PRO 43 HB3 -0.00 0.11 0.04 -0.04 2.02 2.12 2eneA14 PRO 43 HG2 -0.00 -0.10 0.11 -0.04 2.03 2.00 2eneA14 PRO 43 HG3 -0.00 0.08 0.05 -0.04 2.03 2.12 2eneA14 PRO 43 HD2 -0.00 0.00 0.21 -0.04 3.68 3.85 2eneA14 PRO 43 HD3 -0.00 0.18 0.10 -0.04 3.65 3.88 2eneA14 SER 44 H -0.00 0.10 -0.08 -0.55 8.46 7.94 2eneA14 SER 44 HA -0.00 0.23 0.64 -0.75 4.49 4.61 2eneA14 SER 44 HB2 -0.00 0.01 0.04 -0.04 3.95 3.96 2eneA14 SER 44 HB3 -0.00 -0.05 0.08 -0.04 3.93 3.92 2eneA14 SER 45 H -0.00 0.41 -0.86 -0.55 8.46 7.46 2eneA14 SER 45 HA -0.00 0.12 0.20 -0.75 4.49 4.06 2eneA14 SER 45 HB2 -0.00 0.04 -0.35 -0.04 3.95 3.60 2eneA14 SER 45 HB3 -0.00 -0.03 0.20 -0.04 3.93 4.06 2eneA14 GLY 46 H -0.00 -0.03 -0.53 -0.55 8.43 7.32 2eneA14 GLY 46 HA2 -0.00 0.13 0.22 -0.51 4.01 3.85 2eneA14 GLY 46 HA3 -0.00 0.14 0.09 -0.51 4.01 3.73