============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. PHE 32 1.000 -15.552 3.418 2.857 -99.200 -91.000 PHE 34 1.000 -18.574 -5.891 -3.668 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1kv4A9 ALA 1 HA -0.00 -0.08 0.22 -0.75 4.34 3.72 1kv4A9 ALA 1 HB3 -0.00 -0.01 0.04 -0.04 1.41 1.40 1kv4A9 LYS 2 H -0.00 0.07 0.08 -0.55 8.42 8.01 1kv4A9 LYS 2 HA -0.00 0.06 0.45 -0.75 4.32 4.07 1kv4A9 LYS 2 HB2 -0.00 -0.07 0.22 -0.04 1.87 1.97 1kv4A9 LYS 2 HB3 -0.00 0.29 -0.14 -0.04 1.79 1.90 1kv4A9 LYS 2 HG2 0.00 -0.05 0.08 -0.04 1.46 1.45 1kv4A9 LYS 2 HG3 0.00 0.05 -0.03 -0.04 1.46 1.44 1kv4A9 LYS 2 HD2 0.00 0.07 -0.29 -0.04 1.69 1.42 1kv4A9 LYS 2 HD3 0.00 -0.05 -0.15 -0.04 1.68 1.44 1kv4A9 LYS 2 HE2 0.00 0.01 -0.04 -0.04 2.99 2.92 1kv4A9 LYS 2 HE3 0.00 0.05 -0.06 -0.04 2.99 2.94 1kv4A9 ILE 3 H -0.00 0.15 0.17 -0.55 8.25 8.03 1kv4A9 ILE 3 HA 0.00 0.21 0.80 -0.75 4.18 4.44 1kv4A9 ILE 3 HB 0.00 -0.01 0.09 -0.04 1.89 1.94 1kv4A9 ILE 3 HG12 0.00 0.00 -0.03 -0.04 1.49 1.43 1kv4A9 ILE 3 HG13 0.00 0.01 0.12 -0.04 1.21 1.30 1kv4A9 ILE 3 HG23 -0.00 0.02 -0.06 -0.04 0.93 0.85 1kv4A9 ILE 3 HD13 0.00 0.02 0.01 -0.04 0.88 0.87 1kv4A9 PRO 4 HA -0.00 0.15 0.49 -0.51 4.44 4.57 1kv4A9 PRO 4 HB2 -0.00 0.07 -0.01 -0.04 2.28 2.30 1kv4A9 PRO 4 HB3 -0.00 0.08 0.08 -0.04 2.02 2.14 1kv4A9 PRO 4 HG2 -0.00 0.07 0.01 -0.04 2.03 2.07 1kv4A9 PRO 4 HG3 -0.00 0.12 0.04 -0.04 2.03 2.15 1kv4A9 PRO 4 HD2 -0.00 0.00 0.09 -0.04 3.68 3.74 1kv4A9 PRO 4 HD3 -0.00 0.15 0.18 -0.04 3.65 3.94 1kv4A9 ILE 5 H -0.00 0.15 -0.31 -0.55 8.25 7.54 1kv4A9 ILE 5 HA -0.00 0.12 0.40 -0.75 4.18 3.95 1kv4A9 ILE 5 HB -0.00 -0.00 0.09 -0.04 1.89 1.93 1kv4A9 ILE 5 HG12 -0.00 0.07 0.02 -0.04 1.49 1.54 1kv4A9 ILE 5 HG13 -0.00 -0.10 0.02 -0.04 1.21 1.09 1kv4A9 ILE 5 HG23 -0.00 0.02 -0.11 -0.04 0.93 0.80 1kv4A9 ILE 5 HD13 -0.00 0.03 0.07 -0.04 0.88 0.95 1kv4A9 LYS 6 H -0.00 0.25 -0.10 -0.55 8.42 8.02 1kv4A9 LYS 6 HA -0.00 0.07 0.37 -0.75 4.32 4.00 1kv4A9 LYS 6 HB2 0.00 0.09 0.04 -0.04 1.87 1.95 1kv4A9 LYS 6 HB3 0.00 0.02 0.09 -0.04 1.79 1.86 1kv4A9 LYS 6 HG2 0.00 -0.01 0.11 -0.04 1.46 1.51 1kv4A9 LYS 6 HG3 0.00 0.06 0.07 -0.04 1.46 1.54 1kv4A9 LYS 6 HD2 0.00 -0.05 -0.01 -0.04 1.69 1.59 1kv4A9 LYS 6 HD3 0.00 0.04 0.02 -0.04 1.68 1.69 1kv4A9 LYS 6 HE2 0.00 0.02 0.01 -0.04 2.99 2.99 1kv4A9 LYS 6 HE3 0.00 0.02 0.03 -0.04 2.99 3.00 1kv4A9 ALA 7 H -0.00 0.05 -0.95 -0.55 8.40 6.95 1kv4A9 ALA 7 HA -0.00 0.08 0.54 -0.75 4.34 4.21 1kv4A9 ALA 7 HB3 -0.00 0.03 0.13 -0.04 1.41 1.53 1kv4A9 ILE 8 H -0.00 0.71 0.07 -0.55 8.25 8.48 1kv4A9 ILE 8 HA -0.00 0.02 0.50 -0.75 4.18 3.94 1kv4A9 ILE 8 HB -0.00 0.04 0.17 -0.04 1.89 2.06 1kv4A9 ILE 8 HG12 -0.00 -0.00 -0.05 -0.04 1.49 1.40 1kv4A9 ILE 8 HG13 -0.00 -0.06 0.15 -0.04 1.21 1.26 1kv4A9 ILE 8 HG23 -0.00 -0.01 0.13 -0.04 0.93 1.01 1kv4A9 ILE 8 HD13 -0.00 0.00 0.02 -0.04 0.88 0.86 1kv4A9 LYS 9 H -0.00 0.39 -0.34 -0.55 8.42 7.92 1kv4A9 LYS 9 HA -0.00 0.08 0.51 -0.75 4.32 4.15 1kv4A9 LYS 9 HB2 -0.00 0.09 0.02 -0.04 1.87 1.94 1kv4A9 LYS 9 HB3 -0.00 -0.01 0.04 -0.04 1.79 1.78 1kv4A9 LYS 9 HG2 -0.00 0.01 0.03 -0.04 1.46 1.46 1kv4A9 LYS 9 HG3 -0.00 -0.08 -0.09 -0.04 1.46 1.26 1kv4A9 LYS 9 HD2 -0.00 -0.01 -0.07 -0.04 1.69 1.57 1kv4A9 LYS 9 HD3 -0.00 -0.00 -0.02 -0.04 1.68 1.61 1kv4A9 LYS 9 HE2 -0.00 -0.01 -0.10 -0.04 2.99 2.84 1kv4A9 LYS 9 HE3 -0.00 -0.00 -0.06 -0.04 2.99 2.88 1kv4A9 THR 10 H -0.00 0.35 -0.22 -0.55 8.28 7.86 1kv4A9 THR 10 HA 0.00 0.06 0.46 -0.75 4.39 4.16 1kv4A9 THR 10 HB 0.00 0.19 0.27 -0.04 4.32 4.74 1kv4A9 THR 10 HG23 0.00 -0.01 -0.10 -0.04 1.22 1.07 1kv4A9 VAL 11 H -0.00 0.48 -0.15 -0.55 8.24 8.02 1kv4A9 VAL 11 HA -0.00 0.06 0.47 -0.75 4.13 3.90 1kv4A9 VAL 11 HB -0.00 -0.03 0.03 -0.04 2.12 2.08 1kv4A9 VAL 11 HG13 -0.00 0.01 0.04 -0.04 0.97 0.97 1kv4A9 VAL 11 HG23 -0.00 0.05 0.18 -0.04 0.95 1.14 1kv4A9 GLY 12 H -0.00 0.48 -0.21 -0.55 8.43 8.15 1kv4A9 GLY 12 HA2 -0.00 0.01 0.43 -0.51 4.01 3.95 1kv4A9 GLY 12 HA3 -0.00 0.13 0.35 -0.51 4.01 3.97 1kv4A9 LYS 13 H -0.00 0.47 -0.36 -0.55 8.42 7.97 1kv4A9 LYS 13 HA -0.00 0.03 0.49 -0.75 4.32 4.08 1kv4A9 LYS 13 HB2 -0.00 0.16 0.20 -0.04 1.87 2.18 1kv4A9 LYS 13 HB3 0.00 -0.05 0.03 -0.04 1.79 1.73 1kv4A9 LYS 13 HG2 -0.00 0.05 0.05 -0.04 1.46 1.52 1kv4A9 LYS 13 HG3 -0.00 -0.03 0.02 -0.04 1.46 1.40 1kv4A9 LYS 13 HD2 -0.00 -0.02 0.05 -0.04 1.69 1.68 1kv4A9 LYS 13 HD3 -0.00 -0.02 0.03 -0.04 1.68 1.65 1kv4A9 LYS 13 HE2 -0.00 0.00 -0.00 -0.04 2.99 2.95 1kv4A9 LYS 13 HE3 -0.00 -0.01 0.00 -0.04 2.99 2.94 1kv4A9 ALA 14 H -0.00 0.29 -0.48 -0.55 8.40 7.66 1kv4A9 ALA 14 HA -0.00 0.04 0.51 -0.75 4.34 4.13 1kv4A9 ALA 14 HB3 -0.00 0.06 0.17 -0.04 1.41 1.60 1kv4A9 VAL 15 H -0.00 0.61 0.05 -0.55 8.24 8.35 1kv4A9 VAL 15 HA -0.00 0.02 0.42 -0.75 4.13 3.81 1kv4A9 VAL 15 HB -0.00 0.10 0.10 -0.04 2.12 2.27 1kv4A9 VAL 15 HG13 -0.00 -0.01 0.02 -0.04 0.97 0.94 1kv4A9 VAL 15 HG23 -0.00 0.01 0.07 -0.04 0.95 0.99 1kv4A9 GLY 16 H -0.00 0.36 -0.43 -0.55 8.43 7.82 1kv4A9 GLY 16 HA2 -0.00 0.03 0.46 -0.51 4.01 3.99 1kv4A9 GLY 16 HA3 -0.00 0.10 0.30 -0.51 4.01 3.90 1kv4A9 LYS 17 H -0.00 0.44 -0.25 -0.55 8.42 8.05 1kv4A9 LYS 17 HA -0.00 0.02 0.54 -0.75 4.32 4.12 1kv4A9 LYS 17 HB2 0.00 0.27 0.28 -0.04 1.87 2.38 1kv4A9 LYS 17 HB3 0.00 -0.02 0.00 -0.04 1.79 1.73 1kv4A9 LYS 17 HG2 0.00 -0.04 0.05 -0.04 1.46 1.43 1kv4A9 LYS 17 HG3 0.00 -0.04 0.05 -0.04 1.46 1.44 1kv4A9 LYS 17 HD2 0.00 0.11 0.02 -0.04 1.69 1.78 1kv4A9 LYS 17 HD3 0.00 -0.02 0.01 -0.04 1.68 1.63 1kv4A9 LYS 17 HE2 0.00 -0.02 0.01 -0.04 2.99 2.93 1kv4A9 LYS 17 HE3 0.00 -0.01 0.01 -0.04 2.99 2.95 1kv4A9 GLY 18 H -0.00 0.57 -0.13 -0.55 8.43 8.32 1kv4A9 GLY 18 HA2 -0.00 0.04 0.42 -0.51 4.01 3.96 1kv4A9 GLY 18 HA3 -0.00 0.07 0.32 -0.51 4.01 3.89 1kv4A9 LEU 19 H -0.00 0.52 -0.11 -0.55 8.37 8.23 1kv4A9 LEU 19 HA -0.00 0.05 0.42 -0.75 4.35 4.07 1kv4A9 LEU 19 HB2 -0.00 -0.01 0.12 -0.04 1.64 1.71 1kv4A9 LEU 19 HB3 -0.00 0.16 0.21 -0.04 1.64 1.96 1kv4A9 LEU 19 HG -0.00 -0.06 -0.28 -0.04 1.64 1.25 1kv4A9 LEU 19 HD13 -0.00 -0.00 -0.00 -0.04 0.93 0.88 1kv4A9 LEU 19 HD23 -0.00 -0.01 0.01 -0.04 0.89 0.86 1kv4A9 ARG 20 H -0.00 0.47 -0.17 -0.55 8.46 8.21 1kv4A9 ARG 20 HA -0.00 0.01 0.45 -0.75 4.34 4.05 1kv4A9 ARG 20 HB2 -0.00 0.15 0.19 -0.04 1.90 2.20 1kv4A9 ARG 20 HB3 -0.00 0.10 0.11 -0.04 1.80 1.97 1kv4A9 ARG 20 HG2 -0.00 0.03 0.04 -0.04 1.67 1.70 1kv4A9 ARG 20 HG3 -0.00 -0.06 0.03 -0.04 1.67 1.59 1kv4A9 ARG 20 HD2 -0.00 0.00 0.06 -0.04 3.22 3.24 1kv4A9 ARG 20 HD3 -0.00 -0.09 0.17 -0.04 3.22 3.25 1kv4A9 ALA 21 H -0.00 0.48 -0.47 -0.55 8.40 7.86 1kv4A9 ALA 21 HA 0.00 -0.04 0.41 -0.75 4.34 3.96 1kv4A9 ALA 21 HB3 0.00 0.06 0.15 -0.04 1.41 1.58 1kv4A9 ILE 22 H -0.00 0.46 -0.38 -0.55 8.25 7.78 1kv4A9 ILE 22 HA -0.00 0.05 0.48 -0.75 4.18 3.95 1kv4A9 ILE 22 HB -0.00 0.26 0.20 -0.04 1.89 2.31 1kv4A9 ILE 22 HG12 -0.00 -0.04 0.04 -0.04 1.49 1.44 1kv4A9 ILE 22 HG13 -0.00 -0.01 0.01 -0.04 1.21 1.17 1kv4A9 ILE 22 HG23 -0.00 -0.03 -0.04 -0.04 0.93 0.82 1kv4A9 ILE 22 HD13 -0.00 -0.02 0.01 -0.04 0.88 0.83 1kv4A9 ASN 23 H -0.00 0.32 -0.41 -0.55 8.53 7.90 1kv4A9 ASN 23 HA -0.00 0.07 0.57 -0.75 4.76 4.64 1kv4A9 ASN 23 HB2 -0.00 -0.03 0.12 -0.04 2.88 2.93 1kv4A9 ASN 23 HB3 -0.00 0.06 0.32 -0.04 2.79 3.13 1kv4A9 ASN 23 HD21 -0.00 -0.01 -0.08 -0.04 7.03 6.90 1kv4A9 ASN 23 HD22 -0.00 -0.03 -0.10 -0.04 7.74 7.57 1kv4A9 ILE 24 H 0.00 0.71 0.18 -0.55 8.25 8.59 1kv4A9 ILE 24 HA 0.00 0.00 0.39 -0.75 4.18 3.83 1kv4A9 ILE 24 HB 0.01 -0.01 0.09 -0.04 1.89 1.93 1kv4A9 ILE 24 HG12 0.00 -0.04 0.02 -0.04 1.49 1.42 1kv4A9 ILE 24 HG13 0.00 0.11 0.22 -0.04 1.21 1.50 1kv4A9 ILE 24 HG23 0.00 -0.01 0.05 -0.04 0.93 0.94 1kv4A9 ILE 24 HD13 0.01 0.04 -0.12 -0.04 0.88 0.76 1kv4A9 ALA 25 H 0.00 0.16 -1.04 -0.55 8.40 6.98 1kv4A9 ALA 25 HA 0.01 0.05 0.59 -0.75 4.34 4.24 1kv4A9 ALA 25 HB3 -0.00 0.06 0.12 -0.04 1.41 1.55 1kv4A9 SER 26 H 0.00 0.34 -0.15 -0.55 8.46 8.10 1kv4A9 SER 26 HA -0.00 0.03 0.58 -0.75 4.49 4.35 1kv4A9 SER 26 HB2 -0.00 0.09 0.40 -0.04 3.95 4.40 1kv4A9 SER 26 HB3 0.00 -0.09 0.06 -0.04 3.93 3.85 1kv4A9 THR 27 H 0.01 0.55 -0.13 -0.55 8.28 8.16 1kv4A9 THR 27 HA 0.01 0.05 0.48 -0.75 4.39 4.17 1kv4A9 THR 27 HB 0.01 0.10 0.07 -0.04 4.32 4.46 1kv4A9 THR 27 HG23 -0.00 -0.02 -0.01 -0.04 1.22 1.15 1kv4A9 ALA 28 H 0.02 0.37 -0.27 -0.55 8.40 7.97 1kv4A9 ALA 28 HA 0.05 0.01 0.35 -0.75 4.34 3.99 1kv4A9 ALA 28 HB3 0.04 0.07 0.11 -0.04 1.41 1.59 1kv4A9 ASN 29 H 0.03 0.24 -0.73 -0.55 8.53 7.52 1kv4A9 ASN 29 HA 0.02 0.04 0.38 -0.75 4.76 4.45 1kv4A9 ASN 29 HB2 0.02 0.09 0.22 -0.04 2.88 3.16 1kv4A9 ASN 29 HB3 -0.01 -0.04 0.05 -0.04 2.79 2.75 1kv4A9 ASN 29 HD21 -0.03 -0.14 -0.02 -0.04 7.03 6.80 1kv4A9 ASN 29 HD22 -0.03 0.03 0.06 -0.04 7.74 7.76 1kv4A9 ASP 30 H 0.04 0.33 0.03 -0.55 8.40 8.25 1kv4A9 ASP 30 HA 0.09 0.02 0.36 -0.75 4.63 4.35 1kv4A9 ASP 30 HB2 0.03 0.04 0.18 -0.04 2.71 2.91 1kv4A9 ASP 30 HB3 0.03 0.06 0.02 -0.04 2.70 2.76 1kv4A9 VAL 31 H 0.08 0.38 -0.56 -0.55 8.24 7.59 1kv4A9 VAL 31 HA 0.12 -0.00 0.41 -0.75 4.13 3.91 1kv4A9 VAL 31 HB 0.10 0.16 0.12 -0.04 2.12 2.45 1kv4A9 VAL 31 HG13 0.09 -0.02 -0.05 -0.04 0.97 0.94 1kv4A9 VAL 31 HG23 0.03 -0.04 -0.08 -0.04 0.95 0.82 1kv4A9 PHE 32 H 0.23 0.75 0.02 -0.55 8.34 8.80 1kv4A9 PHE 32 HA 0.04 -0.03 0.37 -0.75 4.62 4.25 1kv4A9 PHE 32 HB2 0.02 -0.05 0.14 -0.04 3.15 3.23 1kv4A9 PHE 32 HB3 0.03 0.21 0.24 -0.04 3.06 3.50 1kv4A9 PHE 32 HD2 0.02 0.01 -0.25 -0.04 7.28 7.03 1kv4A9 PHE 32 HE2 0.01 -0.02 -0.04 -0.04 7.38 7.28 1kv4A9 PHE 32 HZ 0.00 -0.02 -0.02 -0.04 7.32 7.24 1kv4A9 ASN 33 H 0.26 0.34 -0.52 -0.55 8.53 8.07 1kv4A9 ASN 33 HA 0.13 0.09 0.54 -0.75 4.76 4.77 1kv4A9 ASN 33 HB2 0.17 0.08 0.13 -0.04 2.88 3.22 1kv4A9 ASN 33 HB3 0.13 -0.02 -0.04 -0.04 2.79 2.82 1kv4A9 ASN 33 HD21 0.09 -0.01 -0.01 -0.04 7.03 7.06 1kv4A9 ASN 33 HD22 0.09 -0.03 -0.01 -0.04 7.74 7.75 1kv4A9 PHE 34 H 0.22 0.45 -0.01 -0.55 8.34 8.44 1kv4A9 PHE 34 HA -0.01 0.02 0.42 -0.75 4.62 4.29 1kv4A9 PHE 34 HB2 0.01 -0.01 0.13 -0.04 3.15 3.24 1kv4A9 PHE 34 HB3 0.00 0.08 0.14 -0.04 3.06 3.24 1kv4A9 PHE 34 HD2 -0.00 0.02 -0.04 -0.04 7.28 7.22 1kv4A9 PHE 34 HE2 -0.00 -0.03 0.01 -0.04 7.38 7.31 1kv4A9 PHE 34 HZ -0.00 -0.03 0.01 -0.04 7.32 7.25 1kv4A9 LEU 35 H -0.02 0.28 -0.75 -0.55 8.37 7.34 1kv4A9 LEU 35 HA -0.14 0.06 0.65 -0.75 4.35 4.17 1kv4A9 LEU 35 HB2 -0.01 -0.04 0.01 -0.04 1.64 1.55 1kv4A9 LEU 35 HB3 -0.19 0.17 0.05 -0.04 1.64 1.62 1kv4A9 LEU 35 HG -0.15 0.01 0.14 -0.04 1.64 1.60 1kv4A9 LEU 35 HD13 -0.06 -0.02 0.08 -0.04 0.93 0.90 1kv4A9 LEU 35 HD23 -0.07 -0.02 0.01 -0.04 0.89 0.77 1kv4A9 LYS 36 H -0.16 0.36 -0.58 -0.55 8.42 7.49 1kv4A9 LYS 36 HA -0.15 0.13 0.93 -0.75 4.32 4.48 1kv4A9 LYS 36 HB2 -0.16 0.09 0.19 -0.04 1.87 1.95 1kv4A9 LYS 36 HB3 -0.09 -0.05 0.23 -0.04 1.79 1.85 1kv4A9 LYS 36 HG2 -0.14 -0.07 0.03 -0.04 1.46 1.24 1kv4A9 LYS 36 HG3 -0.14 0.00 0.07 -0.04 1.46 1.34 1kv4A9 LYS 36 HD2 -0.31 0.08 -0.19 -0.04 1.69 1.22 1kv4A9 LYS 36 HD3 -0.59 0.25 -0.08 -0.04 1.68 1.21 1kv4A9 LYS 36 HE2 -0.98 -0.04 -0.01 -0.04 2.99 1.92 1kv4A9 LYS 36 HE3 -0.43 -0.05 -0.01 -0.04 2.99 2.45 1kv4A9 PRO 37 HA -0.14 0.07 0.31 -0.51 4.44 4.16 1kv4A9 PRO 37 HB2 -0.09 -0.17 -0.07 -0.04 2.28 1.91 1kv4A9 PRO 37 HB3 -0.15 0.06 0.08 -0.04 2.02 1.96 1kv4A9 PRO 37 HG2 -0.09 0.01 -0.16 -0.04 2.03 1.75 1kv4A9 PRO 37 HG3 -0.12 0.05 -0.02 -0.04 2.03 1.89 1kv4A9 PRO 37 HD2 -0.13 0.28 -0.04 -0.04 3.68 3.75 1kv4A9 PRO 37 HD3 -0.21 0.17 -0.29 -0.04 3.65 3.28 1kv4A9 LYS 38 H -0.07 0.12 0.15 -0.55 8.42 8.07 1kv4A9 LYS 38 HA -0.03 0.12 0.40 -0.75 4.32 4.05 1kv4A9 LYS 38 HB2 -0.03 -0.03 0.17 -0.04 1.87 1.94 1kv4A9 LYS 38 HB3 -0.03 0.01 -0.03 -0.04 1.79 1.70 1kv4A9 LYS 38 HG2 -0.01 -0.02 0.04 -0.04 1.46 1.42 1kv4A9 LYS 38 HG3 -0.02 0.03 0.11 -0.04 1.46 1.54 1kv4A9 LYS 38 HD2 -0.02 0.02 0.08 -0.04 1.69 1.73 1kv4A9 LYS 38 HD3 -0.01 -0.02 0.05 -0.04 1.68 1.65 1kv4A9 LYS 38 HE2 -0.00 -0.03 0.04 -0.04 2.99 2.95 1kv4A9 LYS 38 HE3 -0.01 0.04 0.07 -0.04 2.99 3.05 1kv4A9 LYS 39 H -0.05 -0.04 -0.67 -0.55 8.42 7.11 1kv4A9 LYS 39 HA -0.03 0.23 0.76 -0.75 4.32 4.53 1kv4A9 LYS 39 HB2 -0.03 0.00 0.13 -0.04 1.87 1.93 1kv4A9 LYS 39 HB3 -0.03 -0.01 -0.03 -0.04 1.79 1.68 1kv4A9 LYS 39 HG2 -0.05 0.02 -0.11 -0.04 1.46 1.27 1kv4A9 LYS 39 HG3 -0.04 -0.00 0.01 -0.04 1.46 1.39 1kv4A9 LYS 39 HD2 -0.03 0.02 -0.02 -0.04 1.69 1.61 1kv4A9 LYS 39 HD3 -0.04 -0.07 -0.06 -0.04 1.68 1.47 1kv4A9 LYS 39 HE2 -0.06 -0.05 -0.01 -0.04 2.99 2.83 1kv4A9 LYS 39 HE3 -0.04 0.03 -0.01 -0.04 2.99 2.92 1kv4A9 ARG 40 H -0.04 0.40 -0.45 -0.55 8.46 7.81 1kv4A9 ARG 40 HA -0.06 -0.07 0.43 -0.75 4.34 3.89 1kv4A9 ARG 40 HB2 -0.07 0.02 0.05 -0.04 1.90 1.86 1kv4A9 ARG 40 HB3 -0.07 0.10 -0.08 -0.04 1.80 1.71 1kv4A9 ARG 40 HG2 -0.03 -0.04 0.07 -0.04 1.67 1.63 1kv4A9 ARG 40 HG3 -0.03 0.00 0.00 -0.04 1.67 1.61 1kv4A9 ARG 40 HD2 -0.05 -0.03 0.03 -0.04 3.22 3.14 1kv4A9 ARG 40 HD3 -0.03 0.14 -0.00 -0.04 3.22 3.28 1kv4A9 LYS 41 H -0.04 0.05 0.24 -0.55 8.42 8.11 1kv4A9 LYS 41 HA -0.02 0.13 0.52 -0.75 4.32 4.20 1kv4A9 LYS 41 HB2 -0.03 -0.02 0.02 -0.04 1.87 1.80 1kv4A9 LYS 41 HB3 -0.02 -0.08 0.14 -0.04 1.79 1.79 1kv4A9 LYS 41 HG2 -0.03 0.24 0.14 -0.04 1.46 1.77 1kv4A9 LYS 41 HG3 -0.03 -0.03 0.09 -0.04 1.46 1.45 1kv4A9 LYS 41 HD2 -0.02 -0.05 0.03 -0.04 1.69 1.61 1kv4A9 LYS 41 HD3 -0.02 -0.03 0.03 -0.04 1.68 1.62 1kv4A9 LYS 41 HE2 -0.02 0.03 0.00 -0.04 2.99 2.96 1kv4A9 LYS 41 HE3 -0.03 0.03 0.05 -0.04 2.99 3.01 1kv4A9 ALA 42 H -0.01 0.03 0.06 -0.55 8.40 7.93 1kv4A9 ALA 42 HA -0.01 0.01 0.20 -0.75 4.34 3.78 1kv4A9 ALA 42 HB3 -0.02 0.03 -0.12 -0.04 1.41 1.26