============================================================================= 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 15.422 -1.650 -3.535 -99.200 -91.000 PHE 34 1.000 18.468 5.965 4.422 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1kv4A6 ALA 1 HA -0.00 -0.01 0.16 -0.75 4.34 3.73 1kv4A6 ALA 1 HB3 -0.00 -0.01 0.11 -0.04 1.41 1.47 1kv4A6 LYS 2 H -0.00 0.15 0.12 -0.55 8.42 8.14 1kv4A6 LYS 2 HA -0.00 0.19 0.88 -0.75 4.32 4.63 1kv4A6 LYS 2 HB2 -0.00 0.08 0.12 -0.04 1.87 2.03 1kv4A6 LYS 2 HB3 -0.00 -0.25 -0.01 -0.04 1.79 1.49 1kv4A6 LYS 2 HG2 -0.00 -0.01 0.01 -0.04 1.46 1.42 1kv4A6 LYS 2 HG3 -0.00 -0.05 0.11 -0.04 1.46 1.48 1kv4A6 LYS 2 HD2 -0.00 0.02 -0.02 -0.04 1.69 1.65 1kv4A6 LYS 2 HD3 -0.00 0.05 -0.21 -0.04 1.68 1.48 1kv4A6 LYS 2 HE2 -0.00 0.04 -0.03 -0.04 2.99 2.96 1kv4A6 LYS 2 HE3 -0.00 -0.04 -0.01 -0.04 2.99 2.89 1kv4A6 ILE 3 H -0.00 0.18 0.21 -0.55 8.25 8.09 1kv4A6 ILE 3 HA -0.00 0.20 0.71 -0.75 4.18 4.33 1kv4A6 ILE 3 HB -0.00 0.02 0.12 -0.04 1.89 1.98 1kv4A6 ILE 3 HG12 -0.00 0.03 0.01 -0.04 1.49 1.49 1kv4A6 ILE 3 HG13 -0.00 -0.00 -0.08 -0.04 1.21 1.08 1kv4A6 ILE 3 HG23 -0.00 0.00 0.00 -0.04 0.93 0.89 1kv4A6 ILE 3 HD13 -0.00 0.02 0.07 -0.04 0.88 0.93 1kv4A6 PRO 4 HA -0.00 0.14 0.55 -0.51 4.44 4.62 1kv4A6 PRO 4 HB2 -0.00 0.03 0.06 -0.04 2.28 2.33 1kv4A6 PRO 4 HB3 -0.00 0.09 0.10 -0.04 2.02 2.18 1kv4A6 PRO 4 HG2 -0.00 0.07 -0.01 -0.04 2.03 2.04 1kv4A6 PRO 4 HG3 -0.00 0.12 0.07 -0.04 2.03 2.18 1kv4A6 PRO 4 HD2 -0.00 -0.01 0.20 -0.04 3.68 3.83 1kv4A6 PRO 4 HD3 -0.00 0.18 0.24 -0.04 3.65 4.04 1kv4A6 ILE 5 H -0.00 0.17 -0.61 -0.55 8.25 7.26 1kv4A6 ILE 5 HA -0.00 0.08 0.33 -0.75 4.18 3.84 1kv4A6 ILE 5 HB -0.00 -0.02 0.03 -0.04 1.89 1.86 1kv4A6 ILE 5 HG12 -0.00 -0.03 0.07 -0.04 1.49 1.49 1kv4A6 ILE 5 HG13 -0.00 0.05 0.01 -0.04 1.21 1.23 1kv4A6 ILE 5 HG23 -0.00 0.09 -0.12 -0.04 0.93 0.85 1kv4A6 ILE 5 HD13 -0.00 0.00 -0.16 -0.04 0.88 0.68 1kv4A6 LYS 6 H -0.00 0.25 -0.36 -0.55 8.42 7.75 1kv4A6 LYS 6 HA -0.00 0.12 0.49 -0.75 4.32 4.17 1kv4A6 LYS 6 HB2 -0.00 0.02 0.04 -0.04 1.87 1.88 1kv4A6 LYS 6 HB3 -0.00 0.05 0.07 -0.04 1.79 1.86 1kv4A6 LYS 6 HG2 -0.00 -0.12 0.09 -0.04 1.46 1.38 1kv4A6 LYS 6 HG3 -0.00 -0.00 -0.07 -0.04 1.46 1.34 1kv4A6 LYS 6 HD2 -0.00 -0.02 0.06 -0.04 1.69 1.69 1kv4A6 LYS 6 HD3 -0.00 0.19 0.13 -0.04 1.68 1.96 1kv4A6 LYS 6 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.91 1kv4A6 LYS 6 HE3 -0.00 0.01 0.02 -0.04 2.99 2.98 1kv4A6 ALA 7 H -0.00 0.13 -0.28 -0.55 8.40 7.70 1kv4A6 ALA 7 HA -0.00 0.09 0.50 -0.75 4.34 4.18 1kv4A6 ALA 7 HB3 -0.00 0.04 0.12 -0.04 1.41 1.52 1kv4A6 ILE 8 H -0.00 0.60 -0.10 -0.55 8.25 8.20 1kv4A6 ILE 8 HA -0.00 0.07 0.49 -0.75 4.18 3.98 1kv4A6 ILE 8 HB -0.00 0.00 0.06 -0.04 1.89 1.91 1kv4A6 ILE 8 HG12 -0.00 -0.02 -0.14 -0.04 1.49 1.28 1kv4A6 ILE 8 HG13 -0.00 -0.01 0.05 -0.04 1.21 1.21 1kv4A6 ILE 8 HG23 -0.00 0.00 0.09 -0.04 0.93 0.98 1kv4A6 ILE 8 HD13 -0.00 0.00 -0.03 -0.04 0.88 0.81 1kv4A6 LYS 9 H -0.00 0.35 -0.28 -0.55 8.42 7.94 1kv4A6 LYS 9 HA -0.00 0.07 0.51 -0.75 4.32 4.14 1kv4A6 LYS 9 HB2 -0.00 0.09 0.14 -0.04 1.87 2.06 1kv4A6 LYS 9 HB3 -0.00 -0.03 0.06 -0.04 1.79 1.78 1kv4A6 LYS 9 HG2 -0.00 0.16 0.13 -0.04 1.46 1.70 1kv4A6 LYS 9 HG3 -0.00 -0.03 0.03 -0.04 1.46 1.42 1kv4A6 LYS 9 HD2 -0.00 -0.00 0.03 -0.04 1.69 1.67 1kv4A6 LYS 9 HD3 -0.00 -0.04 0.00 -0.04 1.68 1.61 1kv4A6 LYS 9 HE2 -0.00 -0.02 -0.02 -0.04 2.99 2.91 1kv4A6 LYS 9 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.96 1kv4A6 THR 10 H -0.00 0.30 -0.37 -0.55 8.28 7.66 1kv4A6 THR 10 HA -0.00 0.07 0.52 -0.75 4.39 4.22 1kv4A6 THR 10 HB -0.00 0.11 0.20 -0.04 4.32 4.59 1kv4A6 THR 10 HG23 -0.00 -0.02 -0.03 -0.04 1.22 1.12 1kv4A6 VAL 11 H -0.00 0.36 -0.24 -0.55 8.24 7.80 1kv4A6 VAL 11 HA -0.00 0.06 0.53 -0.75 4.13 3.97 1kv4A6 VAL 11 HB -0.00 0.17 0.19 -0.04 2.12 2.43 1kv4A6 VAL 11 HG13 -0.00 0.04 -0.08 -0.04 0.97 0.88 1kv4A6 VAL 11 HG23 -0.00 -0.01 0.06 -0.04 0.95 0.96 1kv4A6 GLY 12 H -0.00 0.34 -0.26 -0.55 8.43 7.96 1kv4A6 GLY 12 HA2 -0.00 0.07 0.48 -0.51 4.01 4.04 1kv4A6 GLY 12 HA3 -0.00 0.11 0.31 -0.51 4.01 3.92 1kv4A6 LYS 13 H -0.00 0.37 -0.27 -0.55 8.42 7.96 1kv4A6 LYS 13 HA -0.00 0.09 0.55 -0.75 4.32 4.20 1kv4A6 LYS 13 HB2 -0.00 -0.03 0.07 -0.04 1.87 1.87 1kv4A6 LYS 13 HB3 -0.00 0.07 0.12 -0.04 1.79 1.94 1kv4A6 LYS 13 HG2 -0.00 0.11 0.22 -0.04 1.46 1.74 1kv4A6 LYS 13 HG3 -0.00 -0.03 -0.08 -0.04 1.46 1.30 1kv4A6 LYS 13 HD2 -0.00 0.11 -0.07 -0.04 1.69 1.69 1kv4A6 LYS 13 HD3 -0.00 -0.04 0.04 -0.04 1.68 1.64 1kv4A6 LYS 13 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.92 1kv4A6 LYS 13 HE3 -0.00 -0.00 -0.01 -0.04 2.99 2.93 1kv4A6 ALA 14 H -0.00 0.35 -0.26 -0.55 8.40 7.95 1kv4A6 ALA 14 HA -0.00 0.07 0.53 -0.75 4.34 4.18 1kv4A6 ALA 14 HB3 -0.00 0.09 0.14 -0.04 1.41 1.60 1kv4A6 VAL 15 H -0.00 0.51 -0.08 -0.55 8.24 8.12 1kv4A6 VAL 15 HA -0.00 0.05 0.50 -0.75 4.13 3.93 1kv4A6 VAL 15 HB -0.00 0.09 0.09 -0.04 2.12 2.26 1kv4A6 VAL 15 HG13 -0.00 -0.02 0.04 -0.04 0.97 0.95 1kv4A6 VAL 15 HG23 -0.00 0.06 0.10 -0.04 0.95 1.06 1kv4A6 GLY 16 H -0.00 0.22 -0.55 -0.55 8.43 7.55 1kv4A6 GLY 16 HA2 -0.00 0.07 0.55 -0.51 4.01 4.12 1kv4A6 GLY 16 HA3 -0.00 0.15 0.33 -0.51 4.01 3.98 1kv4A6 LYS 17 H -0.00 0.34 -0.30 -0.55 8.42 7.90 1kv4A6 LYS 17 HA -0.00 0.08 0.67 -0.75 4.32 4.31 1kv4A6 LYS 17 HB2 -0.00 0.33 0.26 -0.04 1.87 2.42 1kv4A6 LYS 17 HB3 -0.00 -0.00 0.01 -0.04 1.79 1.75 1kv4A6 LYS 17 HG2 -0.00 -0.04 0.05 -0.04 1.46 1.43 1kv4A6 LYS 17 HG3 -0.00 -0.02 0.05 -0.04 1.46 1.44 1kv4A6 LYS 17 HD2 -0.00 0.04 0.03 -0.04 1.69 1.71 1kv4A6 LYS 17 HD3 -0.00 -0.00 0.01 -0.04 1.68 1.65 1kv4A6 LYS 17 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.94 1kv4A6 LYS 17 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.94 1kv4A6 GLY 18 H -0.00 0.48 -0.04 -0.55 8.43 8.32 1kv4A6 GLY 18 HA2 -0.01 0.06 0.43 -0.51 4.01 3.99 1kv4A6 GLY 18 HA3 -0.00 0.10 0.32 -0.51 4.01 3.92 1kv4A6 LEU 19 H -0.00 0.34 -0.28 -0.55 8.37 7.88 1kv4A6 LEU 19 HA -0.01 0.10 0.51 -0.75 4.35 4.20 1kv4A6 LEU 19 HB2 -0.00 0.00 0.10 -0.04 1.64 1.69 1kv4A6 LEU 19 HB3 -0.00 0.17 0.18 -0.04 1.64 1.94 1kv4A6 LEU 19 HG -0.00 -0.04 -0.32 -0.04 1.64 1.24 1kv4A6 LEU 19 HD13 -0.00 -0.00 -0.00 -0.04 0.93 0.88 1kv4A6 LEU 19 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.82 1kv4A6 ARG 20 H -0.00 0.32 -0.28 -0.55 8.46 7.94 1kv4A6 ARG 20 HA -0.00 0.03 0.46 -0.75 4.34 4.08 1kv4A6 ARG 20 HB2 -0.00 0.11 0.23 -0.04 1.90 2.19 1kv4A6 ARG 20 HB3 -0.00 0.03 0.28 -0.04 1.80 2.07 1kv4A6 ARG 20 HG2 -0.00 0.01 0.04 -0.04 1.67 1.68 1kv4A6 ARG 20 HG3 -0.00 -0.02 -0.12 -0.04 1.67 1.49 1kv4A6 ARG 20 HD2 -0.00 -0.01 0.04 -0.04 3.22 3.21 1kv4A6 ARG 20 HD3 -0.00 -0.12 0.25 -0.04 3.22 3.30 1kv4A6 ALA 21 H -0.01 0.68 -0.12 -0.55 8.40 8.41 1kv4A6 ALA 21 HA -0.01 -0.00 0.43 -0.75 4.34 4.00 1kv4A6 ALA 21 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 1kv4A6 ILE 22 H -0.01 0.34 -0.50 -0.55 8.25 7.54 1kv4A6 ILE 22 HA -0.01 0.04 0.41 -0.75 4.18 3.87 1kv4A6 ILE 22 HB -0.01 0.12 0.18 -0.04 1.89 2.14 1kv4A6 ILE 22 HG12 -0.01 -0.08 0.05 -0.04 1.49 1.41 1kv4A6 ILE 22 HG13 -0.01 0.16 0.14 -0.04 1.21 1.47 1kv4A6 ILE 22 HG23 -0.01 -0.03 0.02 -0.04 0.93 0.88 1kv4A6 ILE 22 HD13 -0.01 -0.05 -0.01 -0.04 0.88 0.77 1kv4A6 ASN 23 H -0.01 0.31 -0.70 -0.55 8.53 7.59 1kv4A6 ASN 23 HA -0.01 0.08 0.62 -0.75 4.76 4.70 1kv4A6 ASN 23 HB2 -0.01 -0.04 0.12 -0.04 2.88 2.92 1kv4A6 ASN 23 HB3 -0.01 0.18 0.33 -0.04 2.79 3.25 1kv4A6 ASN 23 HD21 -0.01 -0.02 -0.03 -0.04 7.03 6.93 1kv4A6 ASN 23 HD22 -0.00 -0.01 -0.05 -0.04 7.74 7.63 1kv4A6 ILE 24 H -0.00 0.63 0.19 -0.55 8.25 8.51 1kv4A6 ILE 24 HA -0.00 0.01 0.41 -0.75 4.18 3.84 1kv4A6 ILE 24 HB -0.00 -0.00 0.08 -0.04 1.89 1.93 1kv4A6 ILE 24 HG12 -0.00 -0.04 0.03 -0.04 1.49 1.43 1kv4A6 ILE 24 HG13 -0.00 0.17 0.27 -0.04 1.21 1.61 1kv4A6 ILE 24 HG23 -0.00 0.01 0.07 -0.04 0.93 0.97 1kv4A6 ILE 24 HD13 -0.01 0.00 -0.06 -0.04 0.88 0.77 1kv4A6 ALA 25 H -0.01 0.22 -0.90 -0.55 8.40 7.16 1kv4A6 ALA 25 HA -0.01 0.08 0.65 -0.75 4.34 4.30 1kv4A6 ALA 25 HB3 -0.02 0.01 0.07 -0.04 1.41 1.43 1kv4A6 SER 26 H -0.01 0.27 -0.28 -0.55 8.46 7.90 1kv4A6 SER 26 HA -0.01 0.06 0.69 -0.75 4.49 4.48 1kv4A6 SER 26 HB2 -0.01 0.07 0.44 -0.04 3.95 4.42 1kv4A6 SER 26 HB3 -0.01 -0.11 0.08 -0.04 3.93 3.85 1kv4A6 THR 27 H -0.00 0.78 0.08 -0.55 8.28 8.58 1kv4A6 THR 27 HA -0.01 0.07 0.55 -0.75 4.39 4.24 1kv4A6 THR 27 HB 0.00 0.05 0.05 -0.04 4.32 4.38 1kv4A6 THR 27 HG23 -0.00 -0.01 -0.03 -0.04 1.22 1.14 1kv4A6 ALA 28 H 0.01 0.32 -0.29 -0.55 8.40 7.89 1kv4A6 ALA 28 HA 0.06 0.04 0.41 -0.75 4.34 4.10 1kv4A6 ALA 28 HB3 0.01 0.11 0.13 -0.04 1.41 1.62 1kv4A6 ASN 29 H 0.02 0.17 -0.72 -0.55 8.53 7.46 1kv4A6 ASN 29 HA 0.07 0.10 0.52 -0.75 4.76 4.69 1kv4A6 ASN 29 HB2 0.01 -0.03 0.08 -0.04 2.88 2.90 1kv4A6 ASN 29 HB3 0.00 0.28 0.21 -0.04 2.79 3.24 1kv4A6 ASN 29 HD21 -0.00 -0.00 0.29 -0.04 7.03 7.27 1kv4A6 ASN 29 HD22 -0.00 -0.07 0.11 -0.04 7.74 7.74 1kv4A6 ASP 30 H 0.02 0.44 0.01 -0.55 8.40 8.32 1kv4A6 ASP 30 HA 0.01 0.05 0.39 -0.75 4.63 4.33 1kv4A6 ASP 30 HB2 -0.04 0.07 0.18 -0.04 2.71 2.87 1kv4A6 ASP 30 HB3 -0.07 0.04 0.09 -0.04 2.70 2.72 1kv4A6 VAL 31 H 0.04 0.44 -0.35 -0.55 8.24 7.82 1kv4A6 VAL 31 HA 0.04 0.04 0.45 -0.75 4.13 3.90 1kv4A6 VAL 31 HB 0.07 0.02 0.10 -0.04 2.12 2.27 1kv4A6 VAL 31 HG13 0.06 -0.02 -0.11 -0.04 0.97 0.86 1kv4A6 VAL 31 HG23 0.01 -0.06 0.01 -0.04 0.95 0.87 1kv4A6 PHE 32 H 0.20 0.37 -0.35 -0.55 8.34 8.01 1kv4A6 PHE 32 HA 0.03 0.03 0.34 -0.75 4.62 4.27 1kv4A6 PHE 32 HB2 0.02 0.03 0.23 -0.04 3.15 3.38 1kv4A6 PHE 32 HB3 0.02 0.08 0.28 -0.04 3.06 3.39 1kv4A6 PHE 32 HD2 0.02 0.03 -0.05 -0.04 7.28 7.24 1kv4A6 PHE 32 HE2 0.01 -0.04 -0.01 -0.04 7.38 7.30 1kv4A6 PHE 32 HZ 0.01 -0.04 -0.00 -0.04 7.32 7.24 1kv4A6 ASN 33 H 0.16 0.30 -0.72 -0.55 8.53 7.72 1kv4A6 ASN 33 HA -0.11 0.05 0.50 -0.75 4.76 4.45 1kv4A6 ASN 33 HB2 0.15 0.12 0.09 -0.04 2.88 3.20 1kv4A6 ASN 33 HB3 0.22 0.03 -0.01 -0.04 2.79 2.99 1kv4A6 ASN 33 HD21 0.13 0.03 -0.02 -0.04 7.03 7.12 1kv4A6 ASN 33 HD22 0.10 -0.05 -0.01 -0.04 7.74 7.74 1kv4A6 PHE 34 H 0.24 0.35 -0.09 -0.55 8.34 8.28 1kv4A6 PHE 34 HA -0.04 0.04 0.54 -0.75 4.62 4.40 1kv4A6 PHE 34 HB2 -0.01 0.10 0.20 -0.04 3.15 3.40 1kv4A6 PHE 34 HB3 -0.02 -0.05 0.14 -0.04 3.06 3.09 1kv4A6 PHE 34 HD2 -0.01 -0.03 -0.05 -0.04 7.28 7.15 1kv4A6 PHE 34 HE2 -0.00 -0.03 -0.01 -0.04 7.38 7.30 1kv4A6 PHE 34 HZ -0.00 -0.03 0.00 -0.04 7.32 7.24 1kv4A6 LEU 35 H -0.02 0.20 -1.04 -0.55 8.37 6.96 1kv4A6 LEU 35 HA -0.04 0.07 0.66 -0.75 4.35 4.29 1kv4A6 LEU 35 HB2 0.04 0.00 -0.21 -0.04 1.64 1.44 1kv4A6 LEU 35 HB3 0.01 0.02 0.04 -0.04 1.64 1.67 1kv4A6 LEU 35 HG -0.02 -0.04 0.04 -0.04 1.64 1.58 1kv4A6 LEU 35 HD13 0.00 -0.01 0.03 -0.04 0.93 0.92 1kv4A6 LEU 35 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.85 1kv4A6 LYS 36 H -0.13 0.18 -0.17 -0.55 8.42 7.75 1kv4A6 LYS 36 HA -0.25 0.23 0.97 -0.75 4.32 4.52 1kv4A6 LYS 36 HB2 -0.25 -0.11 0.17 -0.04 1.87 1.64 1kv4A6 LYS 36 HB3 -0.42 0.28 0.09 -0.04 1.79 1.69 1kv4A6 LYS 36 HG2 -0.13 0.01 0.05 -0.04 1.46 1.35 1kv4A6 LYS 36 HG3 -0.11 -0.20 0.10 -0.04 1.46 1.21 1kv4A6 LYS 36 HD2 -0.13 -0.06 0.06 -0.04 1.69 1.52 1kv4A6 LYS 36 HD3 -0.13 0.45 0.16 -0.04 1.68 2.12 1kv4A6 LYS 36 HE2 -0.06 -0.06 -0.04 -0.04 2.99 2.80 1kv4A6 LYS 36 HE3 -0.06 0.01 0.02 -0.04 2.99 2.92 1kv4A6 PRO 37 HA -0.05 0.15 0.37 -0.51 4.44 4.40 1kv4A6 PRO 37 HB2 -0.02 -0.02 0.03 -0.04 2.28 2.23 1kv4A6 PRO 37 HB3 -0.02 0.06 0.06 -0.04 2.02 2.07 1kv4A6 PRO 37 HG2 -0.02 0.05 0.02 -0.04 2.03 2.04 1kv4A6 PRO 37 HG3 -0.03 0.05 0.02 -0.04 2.03 2.03 1kv4A6 PRO 37 HD2 -0.07 0.26 -0.05 -0.04 3.68 3.79 1kv4A6 PRO 37 HD3 -0.06 0.00 -0.55 -0.04 3.65 3.00 1kv4A6 LYS 38 H -0.04 0.11 -0.29 -0.55 8.42 7.64 1kv4A6 LYS 38 HA -0.01 0.03 0.31 -0.75 4.32 3.90 1kv4A6 LYS 38 HB2 -0.02 -0.00 0.00 -0.04 1.87 1.81 1kv4A6 LYS 38 HB3 0.00 0.01 0.02 -0.04 1.79 1.78 1kv4A6 LYS 38 HG2 0.00 -0.01 0.05 -0.04 1.46 1.46 1kv4A6 LYS 38 HG3 -0.00 0.01 0.04 -0.04 1.46 1.46 1kv4A6 LYS 38 HD2 0.03 0.01 0.01 -0.04 1.69 1.69 1kv4A6 LYS 38 HD3 0.03 -0.01 0.02 -0.04 1.68 1.67 1kv4A6 LYS 38 HE2 0.08 0.03 0.02 -0.04 2.99 3.08 1kv4A6 LYS 38 HE3 0.08 -0.01 0.01 -0.04 2.99 3.03 1kv4A6 LYS 39 H -0.06 0.34 -0.28 -0.55 8.42 7.88 1kv4A6 LYS 39 HA -0.02 0.16 0.89 -0.75 4.32 4.60 1kv4A6 LYS 39 HB2 -0.05 0.02 -0.03 -0.04 1.87 1.77 1kv4A6 LYS 39 HB3 -0.02 -0.03 0.09 -0.04 1.79 1.78 1kv4A6 LYS 39 HG2 -0.02 -0.06 -0.24 -0.04 1.46 1.10 1kv4A6 LYS 39 HG3 -0.06 0.05 0.03 -0.04 1.46 1.43 1kv4A6 LYS 39 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 1kv4A6 LYS 39 HD3 -0.01 -0.00 -0.00 -0.04 1.68 1.62 1kv4A6 LYS 39 HE2 0.01 0.02 -0.06 -0.04 2.99 2.92 1kv4A6 LYS 39 HE3 0.03 -0.02 -0.04 -0.04 2.99 2.92 1kv4A6 ARG 40 H -0.06 0.57 0.07 -0.55 8.46 8.49 1kv4A6 ARG 40 HA -0.06 0.00 0.46 -0.75 4.34 3.99 1kv4A6 ARG 40 HB2 -0.09 -0.02 -0.13 -0.04 1.90 1.61 1kv4A6 ARG 40 HB3 -0.07 -0.12 -0.35 -0.04 1.80 1.22 1kv4A6 ARG 40 HG2 -0.05 -0.06 -0.18 -0.04 1.67 1.34 1kv4A6 ARG 40 HG3 -0.06 0.05 -0.47 -0.04 1.67 1.15 1kv4A6 ARG 40 HD2 -0.09 -0.05 -0.15 -0.04 3.22 2.89 1kv4A6 ARG 40 HD3 -0.08 -0.00 -0.11 -0.04 3.22 2.98 1kv4A6 LYS 41 H -0.04 0.18 0.21 -0.55 8.42 8.21 1kv4A6 LYS 41 HA -0.03 0.09 0.53 -0.75 4.32 4.17 1kv4A6 LYS 41 HB2 -0.03 -0.03 0.22 -0.04 1.87 1.98 1kv4A6 LYS 41 HB3 -0.02 -0.04 0.04 -0.04 1.79 1.73 1kv4A6 LYS 41 HG2 -0.02 0.02 -0.02 -0.04 1.46 1.40 1kv4A6 LYS 41 HG3 -0.03 0.20 0.13 -0.04 1.46 1.72 1kv4A6 LYS 41 HD2 -0.02 0.02 0.05 -0.04 1.69 1.70 1kv4A6 LYS 41 HD3 -0.02 -0.04 0.06 -0.04 1.68 1.64 1kv4A6 LYS 41 HE2 -0.02 0.00 0.01 -0.04 2.99 2.94 1kv4A6 LYS 41 HE3 -0.01 -0.00 0.02 -0.04 2.99 2.95 1kv4A6 ALA 42 H -0.03 0.29 0.12 -0.55 8.40 8.24 1kv4A6 ALA 42 HA -0.03 0.19 0.53 -0.75 4.34 4.28 1kv4A6 ALA 42 HB3 -0.03 0.02 0.03 -0.04 1.41 1.39