============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 3 1.000 69.970 25.064 69.756 -99.200 -91.000 PHE 6 1.000 61.424 26.966 62.153 -99.200 -91.000 PHE 7 1.000 57.784 28.123 53.927 -99.200 -91.000 PHE 12 1.000 56.652 41.652 52.748 -99.200 -91.000 HIS 15 0.900 52.290 41.293 51.564 -99.200 -91.000 PHE 16 1.000 49.855 47.163 46.002 -99.200 -91.000 TYR 21 0.840 64.638 41.842 46.749 -99.200 -91.000 TYR 28 0.840 77.904 45.423 51.010 -99.200 -91.000 PHE 31 1.000 67.199 43.738 42.845 -99.200 -91.000 HIS 34 0.900 68.233 51.580 36.360 -99.200 -91.000 TYR 37 0.840 63.104 45.615 33.301 -99.200 -91.000 HIS 39 0.900 53.983 40.533 31.935 -99.200 -91.000 TRP 43 1.040 56.422 28.663 36.443 -99.200 -91.000 TRP6 43 1.020 56.661 27.832 38.681 -99.200 -91.000 PHE 46 1.000 66.023 39.435 40.102 -99.200 -91.000 HIS 51 0.900 78.969 40.596 37.463 -99.200 -91.000 HIS 80 0.900 71.050 27.493 38.274 -99.200 -91.000 PHE 82 1.000 68.977 28.942 29.538 -99.200 -91.000 PHE 94 1.000 71.676 36.436 37.914 -99.200 -91.000 PHE 97 1.000 65.311 28.500 43.749 -99.200 -91.000 PHE 103 1.000 61.380 43.817 50.010 -99.200 -91.000 HIS 116 0.900 55.685 74.330 59.665 -99.200 -91.000 HIS 119 0.900 59.767 80.871 63.633 -99.200 -91.000 HIS 120 0.900 68.882 79.259 64.860 -99.200 -91.000 HIS 121 0.900 69.511 84.397 61.713 -99.200 -91.000 HIS 122 0.900 73.232 83.137 67.238 -99.200 -91.000 HIS 123 0.900 72.299 88.698 63.072 -99.200 -91.000 HIS 124 0.900 75.365 84.876 70.284 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kv1A6 MET 1 HA -0.15 -0.08 0.21 -0.75 4.52 3.75 2kv1A6 MET 1 HB2 -0.07 -0.01 -0.01 -0.04 2.15 2.02 2kv1A6 MET 1 HB3 -0.19 0.02 0.04 -0.04 2.03 1.86 2kv1A6 MET 1 HG2 -0.05 -0.02 0.05 -0.04 2.63 2.57 2kv1A6 MET 1 HG3 -0.02 -0.01 0.04 -0.04 2.56 2.53 2kv1A6 MET 1 HE3 0.05 -0.00 -0.00 -0.04 2.10 2.11 2kv1A6 SER 2 H -0.36 0.08 0.12 -0.55 8.46 7.75 2kv1A6 SER 2 HA -0.77 0.18 0.78 -0.75 4.49 3.92 2kv1A6 SER 2 HB2 -0.19 -0.03 0.04 -0.04 3.95 3.72 2kv1A6 SER 2 HB3 -0.16 -0.00 0.13 -0.04 3.93 3.85 2kv1A6 PHE 3 H -0.14 0.19 0.19 -0.55 8.34 8.02 2kv1A6 PHE 3 HA 0.03 0.12 0.74 -0.75 4.62 4.76 2kv1A6 PHE 3 HB2 0.03 0.09 0.02 -0.04 3.15 3.25 2kv1A6 PHE 3 HB3 0.05 -0.08 0.10 -0.04 3.06 3.09 2kv1A6 PHE 3 HD2 0.02 -0.01 -0.04 -0.04 7.28 7.21 2kv1A6 PHE 3 HE2 0.01 0.01 -0.06 -0.04 7.38 7.31 2kv1A6 PHE 3 HZ 0.01 0.01 -0.11 -0.04 7.32 7.20 2kv1A6 CYS 4 H 0.25 0.07 0.12 -0.55 8.50 8.39 2kv1A6 CYS 4 HA 0.10 0.13 0.55 -0.75 4.58 4.61 2kv1A6 CYS 4 HB2 0.16 -0.02 0.13 -0.04 2.97 3.20 2kv1A6 CYS 4 HB3 0.13 0.01 0.09 -0.04 2.97 3.16 2kv1A6 SER 5 H 0.13 0.26 0.17 -0.55 8.46 8.47 2kv1A6 SER 5 HA -0.06 0.08 0.43 -0.75 4.49 4.18 2kv1A6 SER 5 HB2 0.01 0.12 -0.06 -0.04 3.95 3.97 2kv1A6 SER 5 HB3 0.01 -0.03 0.05 -0.04 3.93 3.92 2kv1A6 PHE 6 H -0.46 0.23 0.13 -0.55 8.34 7.68 2kv1A6 PHE 6 HA 0.08 0.13 0.76 -0.75 4.62 4.83 2kv1A6 PHE 6 HB2 0.08 -0.05 0.12 -0.04 3.15 3.26 2kv1A6 PHE 6 HB3 0.06 0.02 -0.18 -0.04 3.06 2.92 2kv1A6 PHE 6 HD2 0.05 0.05 -0.19 -0.04 7.28 7.15 2kv1A6 PHE 6 HE2 0.01 0.03 -0.06 -0.04 7.38 7.31 2kv1A6 PHE 6 HZ -0.00 0.01 -0.03 -0.04 7.32 7.25 2kv1A6 PHE 7 H 0.45 0.10 0.15 -0.55 8.34 8.48 2kv1A6 PHE 7 HA 0.06 0.03 0.38 -0.75 4.62 4.33 2kv1A6 PHE 7 HB2 0.10 0.05 0.15 -0.04 3.15 3.40 2kv1A6 PHE 7 HB3 0.14 0.05 0.13 -0.04 3.06 3.33 2kv1A6 PHE 7 HD2 0.07 0.09 0.03 -0.04 7.28 7.43 2kv1A6 PHE 7 HE2 0.06 0.09 0.05 -0.04 7.38 7.53 2kv1A6 PHE 7 HZ 0.05 0.08 0.06 -0.04 7.32 7.46 2kv1A6 GLY 8 H -0.74 0.07 0.22 -0.55 8.43 7.43 2kv1A6 GLY 8 HA2 -0.24 0.18 0.28 -0.51 4.01 3.72 2kv1A6 GLY 8 HA3 -0.35 0.00 0.35 -0.51 4.01 3.50 2kv1A6 GLY 9 H -1.92 -0.03 -0.09 -0.55 8.43 5.85 2kv1A6 GLY 9 HA2 -0.08 0.02 0.26 -0.51 4.01 3.71 2kv1A6 GLY 9 HA3 -0.09 0.16 0.41 -0.51 4.01 3.98 2kv1A6 GLU 10 H -0.28 -0.04 -0.01 -0.55 8.60 7.72 2kv1A6 GLU 10 HA 0.02 0.08 0.32 -0.75 4.29 3.96 2kv1A6 GLU 10 HB2 -0.01 0.02 0.08 -0.04 2.09 2.13 2kv1A6 GLU 10 HB3 0.10 0.03 0.03 -0.04 1.99 2.10 2kv1A6 GLU 10 HG2 0.05 0.06 -0.01 -0.04 2.34 2.40 2kv1A6 GLU 10 HG3 0.07 -0.11 -0.08 -0.04 2.34 2.18 2kv1A6 VAL 11 H 0.16 0.01 0.25 -0.55 8.24 8.12 2kv1A6 VAL 11 HA -0.01 0.20 0.81 -0.75 4.13 4.38 2kv1A6 VAL 11 HB 0.17 0.00 0.05 -0.04 2.12 2.31 2kv1A6 VAL 11 HG13 0.04 0.00 0.07 -0.04 0.97 1.05 2kv1A6 VAL 11 HG23 0.10 0.06 -0.09 -0.04 0.95 0.98 2kv1A6 PHE 12 H 0.22 -0.01 0.16 -0.55 8.34 8.15 2kv1A6 PHE 12 HA -0.61 0.09 0.08 -0.75 4.62 3.43 2kv1A6 PHE 12 HB2 -0.12 -0.04 0.12 -0.04 3.15 3.07 2kv1A6 PHE 12 HB3 -0.22 0.12 0.12 -0.04 3.06 3.03 2kv1A6 PHE 12 HD2 -0.04 -0.04 0.04 -0.04 7.28 7.20 2kv1A6 PHE 12 HE2 0.17 0.03 -0.03 -0.04 7.38 7.51 2kv1A6 PHE 12 HZ 0.10 0.04 -0.03 -0.04 7.32 7.39 2kv1A6 GLN 13 H -0.14 0.09 -0.59 -0.55 8.47 7.28 2kv1A6 GLN 13 HA -0.05 0.04 0.24 -0.75 4.36 3.83 2kv1A6 GLN 13 HB2 -0.11 0.02 0.03 -0.04 2.15 2.05 2kv1A6 GLN 13 HB3 -0.07 0.04 0.00 -0.04 2.02 1.96 2kv1A6 GLN 13 HG2 -0.03 -0.10 -0.18 -0.04 2.40 2.04 2kv1A6 GLN 13 HG3 -0.02 0.05 -0.05 -0.04 2.39 2.33 2kv1A6 GLN 13 HE21 -0.01 0.03 -0.01 -0.04 6.97 6.94 2kv1A6 GLN 13 HE22 0.01 -0.01 0.00 -0.04 7.69 7.64 2kv1A6 ASN 14 H -0.27 0.11 -0.15 -0.55 8.53 7.68 2kv1A6 ASN 14 HA -0.01 0.20 0.78 -0.75 4.76 4.97 2kv1A6 ASN 14 HB2 -0.08 -0.03 0.01 -0.04 2.88 2.74 2kv1A6 ASN 14 HB3 -0.01 -0.01 0.02 -0.04 2.79 2.75 2kv1A6 ASN 14 HD21 -0.05 -0.07 -0.18 -0.04 7.03 6.69 2kv1A6 ASN 14 HD22 -0.03 -0.00 -0.05 -0.04 7.74 7.62 2kv1A6 HIS 15 H -0.32 0.22 -0.17 -0.55 8.41 7.60 2kv1A6 HIS 15 HA -0.40 0.03 0.51 -0.75 4.63 4.02 2kv1A6 HIS 15 HB2 -0.51 0.05 0.17 -0.04 3.26 2.93 2kv1A6 HIS 15 HB3 -0.48 -0.01 0.01 -0.04 3.20 2.67 2kv1A6 HIS 15 HD2 -0.29 0.01 -0.17 -0.04 6.97 6.48 2kv1A6 HIS 15 HE1 -0.33 -0.03 -0.09 -0.04 7.75 7.26 2kv1A6 PHE 16 H -0.57 0.19 0.17 -0.55 8.34 7.58 2kv1A6 PHE 16 HA 0.04 0.18 0.60 -0.75 4.62 4.69 2kv1A6 PHE 16 HB2 0.03 -0.02 0.16 -0.04 3.15 3.28 2kv1A6 PHE 16 HB3 0.02 0.05 0.05 -0.04 3.06 3.14 2kv1A6 PHE 16 HD2 0.01 0.06 0.07 -0.04 7.28 7.37 2kv1A6 PHE 16 HE2 -0.01 -0.01 0.02 -0.04 7.38 7.34 2kv1A6 PHE 16 HZ -0.01 -0.02 0.01 -0.04 7.32 7.26 2kv1A6 GLU 17 H 0.09 0.36 -0.61 -0.55 8.60 7.90 2kv1A6 GLU 17 HA 0.09 0.10 0.58 -0.75 4.29 4.31 2kv1A6 GLU 17 HB2 0.28 -0.01 -0.01 -0.04 2.09 2.31 2kv1A6 GLU 17 HB3 0.23 0.09 -0.08 -0.04 1.99 2.19 2kv1A6 GLU 17 HG2 -0.17 -0.09 -0.11 -0.04 2.34 1.93 2kv1A6 GLU 17 HG3 -0.06 -0.02 -0.03 -0.04 2.34 2.18 2kv1A6 PRO 18 HA 0.14 0.11 0.48 -0.51 4.44 4.66 2kv1A6 PRO 18 HB2 0.05 -0.05 -0.04 -0.04 2.28 2.20 2kv1A6 PRO 18 HB3 0.08 0.05 0.08 -0.04 2.02 2.18 2kv1A6 PRO 18 HG2 0.05 0.11 -0.03 -0.04 2.03 2.11 2kv1A6 PRO 18 HG3 0.06 -0.05 0.08 -0.04 2.03 2.08 2kv1A6 PRO 18 HD2 0.08 0.13 0.25 -0.04 3.68 4.10 2kv1A6 PRO 18 HD3 0.10 0.18 0.26 -0.04 3.65 4.15 2kv1A6 GLY 19 H 0.13 0.29 0.23 -0.55 8.43 8.54 2kv1A6 GLY 19 HA2 -0.17 0.00 0.53 -0.51 4.01 3.86 2kv1A6 GLY 19 HA3 -0.41 0.06 0.24 -0.51 4.01 3.39 2kv1A6 VAL 20 H -0.66 0.75 0.29 -0.55 8.24 8.07 2kv1A6 VAL 20 HA -0.01 0.14 0.80 -0.75 4.13 4.31 2kv1A6 VAL 20 HB -0.13 0.04 -0.07 -0.04 2.12 1.91 2kv1A6 VAL 20 HG13 0.08 0.02 -0.01 -0.04 0.97 1.02 2kv1A6 VAL 20 HG23 -0.08 0.02 -0.17 -0.04 0.95 0.68 2kv1A6 TYR 21 H 0.22 0.14 0.10 -0.55 8.29 8.20 2kv1A6 TYR 21 HA 0.07 0.24 1.08 -0.75 4.56 5.19 2kv1A6 TYR 21 HB2 0.20 0.04 0.19 -0.04 3.06 3.45 2kv1A6 TYR 21 HB3 0.16 0.04 0.16 -0.04 2.98 3.29 2kv1A6 TYR 21 HD2 -0.19 0.04 -0.05 -0.04 7.15 6.91 2kv1A6 TYR 21 HE2 -0.16 -0.00 -0.11 -0.04 6.85 6.53 2kv1A6 VAL 22 H 0.18 0.69 0.30 -0.55 8.24 8.86 2kv1A6 VAL 22 HA 0.15 0.10 0.63 -0.75 4.13 4.26 2kv1A6 VAL 22 HB 0.05 0.06 -0.43 -0.04 2.12 1.77 2kv1A6 VAL 22 HG13 -0.03 0.01 -0.34 -0.04 0.97 0.57 2kv1A6 VAL 22 HG23 0.01 0.05 -0.29 -0.04 0.95 0.68 2kv1A6 CYS 23 H 0.14 0.46 0.02 -0.55 8.50 8.57 2kv1A6 CYS 23 HA 0.12 0.14 0.46 -0.75 4.58 4.56 2kv1A6 CYS 23 HB2 0.10 0.16 0.14 -0.04 2.97 3.33 2kv1A6 CYS 23 HB3 0.11 -0.24 0.16 -0.04 2.97 2.96 2kv1A6 ALA 24 H 0.09 0.27 0.21 -0.55 8.40 8.41 2kv1A6 ALA 24 HA 0.06 0.16 -0.08 -0.75 4.34 3.73 2kv1A6 ALA 24 HB3 0.05 -0.00 -0.21 -0.04 1.41 1.21 2kv1A6 LYS 25 H 0.04 -0.21 -0.22 -0.55 8.42 7.48 2kv1A6 LYS 25 HA 0.02 0.28 0.75 -0.75 4.32 4.61 2kv1A6 LYS 25 HB2 0.02 -0.13 -0.01 -0.04 1.87 1.71 2kv1A6 LYS 25 HB3 0.02 0.05 -0.05 -0.04 1.79 1.77 2kv1A6 LYS 25 HG2 0.01 0.04 0.00 -0.04 1.46 1.46 2kv1A6 LYS 25 HG3 0.01 0.15 -0.11 -0.04 1.46 1.46 2kv1A6 LYS 25 HD2 0.00 0.03 -0.06 -0.04 1.69 1.62 2kv1A6 LYS 25 HD3 0.01 -0.08 -0.15 -0.04 1.68 1.43 2kv1A6 LYS 25 HE2 0.01 -0.20 -0.10 -0.04 2.99 2.67 2kv1A6 LYS 25 HE3 0.01 0.01 -0.00 -0.04 2.99 2.97 2kv1A6 CYS 26 H 0.05 -0.09 0.06 -0.55 8.50 7.97 2kv1A6 CYS 26 HA 0.05 0.20 0.40 -0.75 4.58 4.47 2kv1A6 CYS 26 HB2 0.10 -0.16 0.05 -0.04 2.97 2.91 2kv1A6 CYS 26 HB3 0.08 0.11 0.06 -0.04 2.97 3.19 2kv1A6 SER 27 H 0.07 -0.12 -0.27 -0.55 8.46 7.58 2kv1A6 SER 27 HA 0.06 0.11 0.14 -0.75 4.49 4.05 2kv1A6 SER 27 HB2 0.00 -0.04 0.01 -0.04 3.95 3.89 2kv1A6 SER 27 HB3 0.02 0.10 -0.26 -0.04 3.93 3.75 2kv1A6 TYR 28 H 0.18 -0.12 -0.52 -0.55 8.29 7.28 2kv1A6 TYR 28 HA 0.01 0.13 0.56 -0.75 4.56 4.51 2kv1A6 TYR 28 HB2 0.02 0.04 0.02 -0.04 3.06 3.10 2kv1A6 TYR 28 HB3 0.03 -0.11 0.01 -0.04 2.98 2.87 2kv1A6 TYR 28 HD2 0.02 0.03 -0.24 -0.04 7.15 6.92 2kv1A6 TYR 28 HE2 0.01 0.04 -0.01 -0.04 6.85 6.85 2kv1A6 GLU 29 H -0.22 0.15 0.17 -0.55 8.60 8.15 2kv1A6 GLU 29 HA 0.08 0.09 0.57 -0.75 4.29 4.28 2kv1A6 GLU 29 HB2 -0.08 -0.04 0.17 -0.04 2.09 2.10 2kv1A6 GLU 29 HB3 -0.00 0.03 0.01 -0.04 1.99 1.98 2kv1A6 GLU 29 HG2 -0.05 0.02 -0.04 -0.04 2.34 2.22 2kv1A6 GLU 29 HG3 -0.05 0.11 -0.02 -0.04 2.34 2.34 2kv1A6 LEU 30 H 0.17 0.62 0.29 -0.55 8.37 8.91 2kv1A6 LEU 30 HA 0.14 0.03 0.64 -0.75 4.35 4.41 2kv1A6 LEU 30 HB2 0.08 -0.07 -0.06 -0.04 1.64 1.55 2kv1A6 LEU 30 HB3 0.21 0.13 -0.29 -0.04 1.64 1.64 2kv1A6 LEU 30 HG 0.19 0.04 -0.06 -0.04 1.64 1.77 2kv1A6 LEU 30 HD13 0.10 -0.02 -0.15 -0.04 0.93 0.83 2kv1A6 LEU 30 HD23 0.10 -0.02 -0.19 -0.04 0.89 0.74 2kv1A6 PHE 31 H 0.12 0.24 0.12 -0.55 8.34 8.27 2kv1A6 PHE 31 HA -0.02 -0.05 0.22 -0.75 4.62 4.01 2kv1A6 PHE 31 HB2 0.20 0.06 0.21 -0.04 3.15 3.58 2kv1A6 PHE 31 HB3 0.10 0.02 0.00 -0.04 3.06 3.13 2kv1A6 PHE 31 HD2 -0.06 0.09 -0.03 -0.04 7.28 7.24 2kv1A6 PHE 31 HE2 -0.37 0.00 -0.04 -0.04 7.38 6.93 2kv1A6 PHE 31 HZ -1.68 0.08 -0.13 -0.04 7.32 5.55 2kv1A6 SER 32 H -0.72 0.08 0.14 -0.55 8.46 7.42 2kv1A6 SER 32 HA -0.09 0.21 0.91 -0.75 4.49 4.76 2kv1A6 SER 32 HB2 -0.12 0.12 0.08 -0.04 3.95 3.99 2kv1A6 SER 32 HB3 -0.28 -0.05 0.07 -0.04 3.93 3.64 2kv1A6 SER 33 H -0.15 0.20 0.17 -0.55 8.46 8.13 2kv1A6 SER 33 HA -0.04 0.13 0.42 -0.75 4.49 4.24 2kv1A6 SER 33 HB2 -0.78 -0.02 0.04 -0.04 3.95 3.15 2kv1A6 SER 33 HB3 -0.23 0.07 0.09 -0.04 3.93 3.82 2kv1A6 HIS 34 H -0.28 -0.06 -0.46 -0.55 8.41 7.07 2kv1A6 HIS 34 HA -0.03 0.22 0.47 -0.75 4.63 4.54 2kv1A6 HIS 34 HB2 -0.09 -0.04 -0.06 -0.04 3.26 3.04 2kv1A6 HIS 34 HB3 -0.02 0.05 0.01 -0.04 3.20 3.19 2kv1A6 HIS 34 HD2 0.07 0.08 -0.10 -0.04 6.97 6.97 2kv1A6 HIS 34 HE1 0.01 0.02 -0.01 -0.04 7.75 7.72 2kv1A6 SER 35 H -0.25 0.27 -0.14 -0.55 8.46 7.79 2kv1A6 SER 35 HA -0.29 0.01 0.21 -0.75 4.49 3.67 2kv1A6 SER 35 HB2 -0.87 0.08 0.12 -0.04 3.95 3.23 2kv1A6 SER 35 HB3 -0.49 -0.14 -0.11 -0.04 3.93 3.16 2kv1A6 LYS 36 H -0.21 0.19 -0.39 -0.55 8.42 7.46 2kv1A6 LYS 36 HA -0.19 0.04 0.87 -0.75 4.32 4.28 2kv1A6 LYS 36 HB2 -0.32 -0.06 -0.16 -0.04 1.87 1.29 2kv1A6 LYS 36 HB3 0.01 0.01 0.01 -0.04 1.79 1.77 2kv1A6 LYS 36 HG2 0.09 0.31 -0.08 -0.04 1.46 1.73 2kv1A6 LYS 36 HG3 0.21 -0.05 -0.01 -0.04 1.46 1.57 2kv1A6 LYS 36 HD2 0.09 -0.00 -0.06 -0.04 1.69 1.69 2kv1A6 LYS 36 HD3 -0.14 -0.08 -0.07 -0.04 1.68 1.35 2kv1A6 LYS 36 HE2 0.05 -0.04 -0.08 -0.04 2.99 2.88 2kv1A6 LYS 36 HE3 0.04 -0.04 -0.14 -0.04 2.99 2.81 2kv1A6 TYR 37 H -0.05 0.10 0.13 -0.55 8.29 7.92 2kv1A6 TYR 37 HA 0.08 0.18 0.74 -0.75 4.56 4.81 2kv1A6 TYR 37 HB2 0.09 0.03 0.06 -0.04 3.06 3.19 2kv1A6 TYR 37 HB3 0.07 -0.02 0.17 -0.04 2.98 3.17 2kv1A6 TYR 37 HD2 0.07 0.04 -0.00 -0.04 7.15 7.22 2kv1A6 TYR 37 HE2 0.07 -0.02 0.00 -0.04 6.85 6.86 2kv1A6 ALA 38 H 0.25 0.18 0.17 -0.55 8.40 8.45 2kv1A6 ALA 38 HA 0.14 0.17 0.77 -0.75 4.34 4.67 2kv1A6 ALA 38 HB3 0.09 0.01 0.02 -0.04 1.41 1.50 2kv1A6 HIS 39 H 0.12 0.33 0.16 -0.55 8.41 8.48 2kv1A6 HIS 39 HA 0.03 0.08 0.44 -0.75 4.63 4.42 2kv1A6 HIS 39 HB2 0.06 0.06 -0.26 -0.04 3.26 3.08 2kv1A6 HIS 39 HB3 0.05 0.02 -0.19 -0.04 3.20 3.03 2kv1A6 HIS 39 HD2 0.01 0.06 0.11 -0.04 6.97 7.11 2kv1A6 HIS 39 HE1 0.01 0.03 0.01 -0.04 7.75 7.76 2kv1A6 SER 40 H -0.88 0.17 0.08 -0.55 8.46 7.28 2kv1A6 SER 40 HA -0.09 0.14 0.84 -0.75 4.49 4.62 2kv1A6 SER 40 HB2 -0.17 -0.01 0.11 -0.04 3.95 3.83 2kv1A6 SER 40 HB3 -0.22 -0.00 0.22 -0.04 3.93 3.88 2kv1A6 SER 41 H 0.00 0.38 0.06 -0.55 8.46 8.36 2kv1A6 SER 41 HA 0.03 0.09 0.42 -0.75 4.49 4.27 2kv1A6 SER 41 HB2 0.11 -0.05 -0.12 -0.04 3.95 3.84 2kv1A6 SER 41 HB3 0.07 0.18 -0.01 -0.04 3.93 4.13 2kv1A6 PRO 42 HA -0.40 0.10 0.70 -0.51 4.44 4.33 2kv1A6 PRO 42 HB2 -1.36 0.00 0.06 -0.04 2.28 0.94 2kv1A6 PRO 42 HB3 -0.49 0.02 0.12 -0.04 2.02 1.62 2kv1A6 PRO 42 HG2 -0.07 0.06 -0.04 -0.04 2.03 1.93 2kv1A6 PRO 42 HG3 -0.12 0.03 0.04 -0.04 2.03 1.94 2kv1A6 PRO 42 HD2 -0.02 0.12 0.18 -0.04 3.68 3.92 2kv1A6 PRO 42 HD3 -0.09 0.11 0.08 -0.04 3.65 3.71 2kv1A6 TRP 43 H -0.89 0.05 0.11 -0.55 7.97 6.70 2kv1A6 TRP 43 HA -0.07 0.00 0.32 -0.75 4.62 4.12 2kv1A6 TRP 43 HB2 -0.04 0.10 -0.11 -0.04 3.23 3.14 2kv1A6 TRP 43 HB3 -0.07 -0.00 0.10 -0.04 3.23 3.22 2kv1A6 TRP 43 HD1 -0.03 0.05 -0.15 -0.04 7.22 7.05 2kv1A6 TRP 43 HE1 -0.02 0.00 -0.02 -0.04 10.20 10.12 2kv1A6 TRP 43 HE3 -0.08 0.06 0.06 -0.04 7.59 7.59 2kv1A6 TRP 43 HZ2 -0.01 0.00 0.01 -0.04 7.44 7.39 2kv1A6 TRP 43 HZ3 -0.04 -0.01 0.03 -0.04 7.13 7.07 2kv1A6 TRP 43 HH2 -0.01 -0.01 0.02 -0.04 7.19 7.15 2kv1A6 PRO 44 HA 0.07 0.09 0.37 -0.51 4.44 4.45 2kv1A6 PRO 44 HB2 0.08 0.02 -0.03 -0.04 2.28 2.31 2kv1A6 PRO 44 HB3 0.06 0.07 0.01 -0.04 2.02 2.12 2kv1A6 PRO 44 HG2 -0.00 -0.03 -0.01 -0.04 2.03 1.95 2kv1A6 PRO 44 HG3 -0.00 0.07 0.03 -0.04 2.03 2.08 2kv1A6 PRO 44 HD2 -0.04 -0.04 0.11 -0.04 3.68 3.66 2kv1A6 PRO 44 HD3 -0.07 0.20 -0.26 -0.04 3.65 3.48 2kv1A6 ALA 45 H 0.08 0.25 0.21 -0.55 8.40 8.39 2kv1A6 ALA 45 HA -0.13 0.07 0.61 -0.75 4.34 4.13 2kv1A6 ALA 45 HB3 0.00 0.04 -0.13 -0.04 1.41 1.28 2kv1A6 PHE 46 H 0.03 0.53 0.35 -0.55 8.34 8.69 2kv1A6 PHE 46 HA 0.04 0.06 0.79 -0.75 4.62 4.76 2kv1A6 PHE 46 HB2 0.16 -0.05 0.14 -0.04 3.15 3.36 2kv1A6 PHE 46 HB3 -0.01 0.28 0.27 -0.04 3.06 3.57 2kv1A6 PHE 46 HD2 0.03 -0.03 -0.05 -0.04 7.28 7.20 2kv1A6 PHE 46 HE2 0.07 -0.02 -0.06 -0.04 7.38 7.33 2kv1A6 PHE 46 HZ -0.22 -0.01 -0.07 -0.04 7.32 6.98 2kv1A6 THR 47 H 0.11 0.20 0.27 -0.55 8.28 8.30 2kv1A6 THR 47 HA 0.17 0.15 0.90 -0.75 4.39 4.85 2kv1A6 THR 47 HB 0.16 0.01 0.06 -0.04 4.32 4.51 2kv1A6 THR 47 HG23 0.25 0.02 0.04 -0.04 1.22 1.49 2kv1A6 GLU 48 H -0.02 0.16 0.23 -0.55 8.60 8.43 2kv1A6 GLU 48 HA -0.00 0.18 0.76 -0.75 4.29 4.47 2kv1A6 GLU 48 HB2 -0.07 -0.00 -0.01 -0.04 2.09 1.97 2kv1A6 GLU 48 HB3 -0.00 0.08 0.00 -0.04 1.99 2.03 2kv1A6 GLU 48 HG2 -0.09 0.02 -0.01 -0.04 2.34 2.22 2kv1A6 GLU 48 HG3 -0.02 0.00 -0.12 -0.04 2.34 2.17 2kv1A6 THR 49 H -0.13 0.27 0.16 -0.55 8.28 8.03 2kv1A6 THR 49 HA -0.40 0.14 0.77 -0.75 4.39 4.14 2kv1A6 THR 49 HB -0.41 -0.06 0.11 -0.04 4.32 3.92 2kv1A6 THR 49 HG23 -1.15 0.06 -0.23 -0.04 1.22 -0.15 2kv1A6 ILE 50 H -0.37 0.15 0.12 -0.55 8.25 7.60 2kv1A6 ILE 50 HA -0.12 0.11 0.44 -0.75 4.18 3.85 2kv1A6 ILE 50 HB -0.13 0.06 -0.07 -0.04 1.89 1.70 2kv1A6 ILE 50 HG12 -0.28 -0.04 -0.03 -0.04 1.49 1.11 2kv1A6 ILE 50 HG13 -0.47 -0.07 0.11 -0.04 1.21 0.74 2kv1A6 ILE 50 HG23 -0.07 0.02 -0.01 -0.04 0.93 0.83 2kv1A6 ILE 50 HD13 -0.57 0.04 0.02 -0.04 0.88 0.33 2kv1A6 HIS 51 H -0.11 -0.08 -0.51 -0.55 8.41 7.16 2kv1A6 HIS 51 HA -0.08 0.01 0.20 -0.75 4.63 4.01 2kv1A6 HIS 51 HB2 -0.09 -0.01 -0.16 -0.04 3.26 2.97 2kv1A6 HIS 51 HB3 -0.06 0.09 -0.12 -0.04 3.20 3.07 2kv1A6 HIS 51 HD2 0.00 -0.03 -0.07 -0.04 6.97 6.83 2kv1A6 HIS 51 HE1 0.00 0.01 -0.07 -0.04 7.75 7.65 2kv1A6 PRO 52 HA -0.01 0.16 0.60 -0.51 4.44 4.68 2kv1A6 PRO 52 HB2 -0.11 -0.09 -0.01 -0.04 2.28 2.03 2kv1A6 PRO 52 HB3 -0.07 0.09 0.02 -0.04 2.02 2.03 2kv1A6 PRO 52 HG2 -0.06 -0.04 -0.02 -0.04 2.03 1.87 2kv1A6 PRO 52 HG3 -0.04 0.05 -0.06 -0.04 2.03 1.94 2kv1A6 PRO 52 HD2 -0.10 0.04 0.05 -0.04 3.68 3.63 2kv1A6 PRO 52 HD3 -0.07 0.02 -0.26 -0.04 3.65 3.31 2kv1A6 ASP 53 H -0.04 0.17 0.15 -0.55 8.40 8.14 2kv1A6 ASP 53 HA -0.01 0.24 0.45 -0.75 4.63 4.56 2kv1A6 ASP 53 HB2 0.00 0.03 0.17 -0.04 2.71 2.87 2kv1A6 ASP 53 HB3 0.03 0.07 0.07 -0.04 2.70 2.82 2kv1A6 SER 54 H -0.08 -0.00 -0.31 -0.55 8.46 7.53 2kv1A6 SER 54 HA -0.05 0.23 0.75 -0.75 4.49 4.67 2kv1A6 SER 54 HB2 -0.16 -0.05 0.04 -0.04 3.95 3.73 2kv1A6 SER 54 HB3 -0.09 -0.06 0.01 -0.04 3.93 3.75 2kv1A6 VAL 55 H -0.06 0.19 -0.10 -0.55 8.24 7.72 2kv1A6 VAL 55 HA -0.02 -0.04 0.88 -0.75 4.13 4.19 2kv1A6 VAL 55 HB 0.00 0.13 0.06 -0.04 2.12 2.27 2kv1A6 VAL 55 HG13 0.01 -0.04 -0.02 -0.04 0.97 0.87 2kv1A6 VAL 55 HG23 -0.06 0.02 -0.11 -0.04 0.95 0.76 2kv1A6 THR 56 H -0.02 0.60 0.39 -0.55 8.28 8.70 2kv1A6 THR 56 HA -0.03 0.17 0.56 -0.75 4.39 4.33 2kv1A6 THR 56 HB -0.02 0.10 -0.20 -0.04 4.32 4.16 2kv1A6 THR 56 HG23 -0.01 -0.03 -0.08 -0.04 1.22 1.06 2kv1A6 LYS 57 H -0.01 0.26 0.20 -0.55 8.42 8.31 2kv1A6 LYS 57 HA -0.04 -0.01 1.01 -0.75 4.32 4.53 2kv1A6 LYS 57 HB2 -0.01 0.18 0.04 -0.04 1.87 2.04 2kv1A6 LYS 57 HB3 -0.01 -0.09 -0.02 -0.04 1.79 1.62 2kv1A6 LYS 57 HG2 0.04 0.01 -0.13 -0.04 1.46 1.34 2kv1A6 LYS 57 HG3 -0.02 -0.06 -0.18 -0.04 1.46 1.16 2kv1A6 LYS 57 HD2 0.02 0.06 -0.14 -0.04 1.69 1.59 2kv1A6 LYS 57 HD3 0.07 0.02 -0.06 -0.04 1.68 1.66 2kv1A6 LYS 57 HE2 0.05 0.05 0.02 -0.04 2.99 3.06 2kv1A6 LYS 57 HE3 0.00 -0.16 0.14 -0.04 2.99 2.93 2kv1A6 CYS 58 H -0.06 0.60 0.26 -0.55 8.50 8.76 2kv1A6 CYS 58 HA -0.02 0.17 0.83 -0.75 4.58 4.80 2kv1A6 CYS 58 HB2 -0.03 0.09 0.03 -0.04 2.97 3.02 2kv1A6 CYS 58 HB3 -0.03 0.03 -0.18 -0.04 2.97 2.75 2kv1A6 PRO 59 HA -0.03 -0.00 0.48 -0.51 4.44 4.38 2kv1A6 PRO 59 HB2 -0.02 0.24 0.06 -0.04 2.28 2.53 2kv1A6 PRO 59 HB3 -0.02 0.01 0.13 -0.04 2.02 2.09 2kv1A6 PRO 59 HG2 -0.02 0.03 0.05 -0.04 2.03 2.05 2kv1A6 PRO 59 HG3 -0.01 0.04 0.08 -0.04 2.03 2.10 2kv1A6 PRO 59 HD2 -0.02 0.09 0.23 -0.04 3.68 3.93 2kv1A6 PRO 59 HD3 -0.01 0.14 0.22 -0.04 3.65 3.96 2kv1A6 GLU 60 H -0.03 0.41 0.37 -0.55 8.60 8.81 2kv1A6 GLU 60 HA 0.01 0.07 0.73 -0.75 4.29 4.35 2kv1A6 GLU 60 HB2 -0.03 0.22 -0.03 -0.04 2.09 2.20 2kv1A6 GLU 60 HB3 -0.00 -0.31 0.03 -0.04 1.99 1.67 2kv1A6 GLU 60 HG2 0.03 -0.07 -0.23 -0.04 2.34 2.03 2kv1A6 GLU 60 HG3 -0.00 0.04 -0.07 -0.04 2.34 2.28 2kv1A6 LYS 61 H 0.00 0.05 0.15 -0.55 8.42 8.07 2kv1A6 LYS 61 HA -0.01 0.26 0.79 -0.75 4.32 4.61 2kv1A6 LYS 61 HB2 -0.00 0.03 -0.05 -0.04 1.87 1.81 2kv1A6 LYS 61 HB3 -0.01 0.08 -0.01 -0.04 1.79 1.81 2kv1A6 LYS 61 HG2 0.00 -0.14 0.13 -0.04 1.46 1.41 2kv1A6 LYS 61 HG3 -0.00 0.04 0.00 -0.04 1.46 1.46 2kv1A6 LYS 61 HD2 -0.01 0.02 -0.06 -0.04 1.69 1.60 2kv1A6 LYS 61 HD3 -0.01 0.06 -0.23 -0.04 1.68 1.46 2kv1A6 LYS 61 HE2 -0.01 0.19 0.02 -0.04 2.99 3.15 2kv1A6 LYS 61 HE3 0.01 -0.09 0.04 -0.04 2.99 2.91 2kv1A6 ASN 62 H -0.00 -0.02 0.15 -0.55 8.53 8.12 2kv1A6 ASN 62 HA -0.01 0.24 0.75 -0.75 4.76 4.98 2kv1A6 ASN 62 HB2 -0.00 0.04 0.14 -0.04 2.88 3.02 2kv1A6 ASN 62 HB3 -0.00 0.06 0.03 -0.04 2.79 2.84 2kv1A6 ASN 62 HD21 0.00 0.03 -0.02 -0.04 7.03 7.01 2kv1A6 ASN 62 HD22 0.00 0.03 0.00 -0.04 7.74 7.74 2kv1A6 ARG 63 H -0.01 -0.03 -0.29 -0.55 8.46 7.58 2kv1A6 ARG 63 HA -0.01 0.25 0.64 -0.75 4.34 4.47 2kv1A6 ARG 63 HB2 -0.01 -0.06 0.13 -0.04 1.90 1.92 2kv1A6 ARG 63 HB3 -0.00 0.04 0.10 -0.04 1.80 1.90 2kv1A6 ARG 63 HG2 0.01 0.24 -0.26 -0.04 1.67 1.61 2kv1A6 ARG 63 HG3 0.01 -0.17 -0.29 -0.04 1.67 1.17 2kv1A6 ARG 63 HD2 0.03 -0.03 -0.04 -0.04 3.22 3.13 2kv1A6 ARG 63 HD3 0.05 0.03 -0.03 -0.04 3.22 3.22 2kv1A6 PRO 64 HA -0.05 0.14 0.19 -0.51 4.44 4.20 2kv1A6 PRO 64 HB2 -0.03 0.05 0.15 -0.04 2.28 2.42 2kv1A6 PRO 64 HB3 -0.03 0.08 -0.02 -0.04 2.02 2.01 2kv1A6 PRO 64 HG2 -0.03 0.05 -0.04 -0.04 2.03 1.98 2kv1A6 PRO 64 HG3 -0.02 0.07 -0.04 -0.04 2.03 2.00 2kv1A6 PRO 64 HD2 -0.02 0.15 -0.14 -0.04 3.68 3.62 2kv1A6 PRO 64 HD3 -0.02 0.06 -0.39 -0.04 3.65 3.26 2kv1A6 GLU 65 H -0.15 0.62 0.13 -0.55 8.60 8.66 2kv1A6 GLU 65 HA -0.14 0.15 0.55 -0.75 4.29 4.09 2kv1A6 GLU 65 HB2 -0.22 -0.05 0.07 -0.04 2.09 1.85 2kv1A6 GLU 65 HB3 -0.09 0.09 -0.12 -0.04 1.99 1.83 2kv1A6 GLU 65 HG2 -0.09 -0.10 -0.43 -0.04 2.34 1.67 2kv1A6 GLU 65 HG3 -0.30 0.03 -0.20 -0.04 2.34 1.83 2kv1A6 ALA 66 H -0.21 0.26 0.39 -0.55 8.40 8.29 2kv1A6 ALA 66 HA -0.31 0.11 0.84 -0.75 4.34 4.23 2kv1A6 ALA 66 HB3 -0.60 0.02 0.01 -0.04 1.41 0.80 2kv1A6 LEU 67 H -0.06 0.53 0.28 -0.55 8.37 8.58 2kv1A6 LEU 67 HA -0.04 -0.03 0.94 -0.75 4.35 4.47 2kv1A6 LEU 67 HB2 -0.03 -0.06 0.04 -0.04 1.64 1.55 2kv1A6 LEU 67 HB3 -0.03 0.10 -0.05 -0.04 1.64 1.62 2kv1A6 LEU 67 HG -0.04 0.01 -0.17 -0.04 1.64 1.41 2kv1A6 LEU 67 HD13 0.02 -0.00 -0.09 -0.04 0.93 0.81 2kv1A6 LEU 67 HD23 -0.03 0.03 -0.10 -0.04 0.89 0.75 2kv1A6 LYS 68 H -0.09 0.67 0.33 -0.55 8.42 8.78 2kv1A6 LYS 68 HA -0.60 0.12 0.97 -0.75 4.32 4.05 2kv1A6 LYS 68 HB2 -0.18 -0.02 0.00 -0.04 1.87 1.63 2kv1A6 LYS 68 HB3 -0.49 0.07 0.06 -0.04 1.79 1.40 2kv1A6 LYS 68 HG2 -0.11 -0.04 -0.13 -0.04 1.46 1.14 2kv1A6 LYS 68 HG3 -0.07 0.08 -0.16 -0.04 1.46 1.27 2kv1A6 LYS 68 HD2 -0.06 0.03 -0.08 -0.04 1.69 1.53 2kv1A6 LYS 68 HD3 -0.10 0.04 -0.06 -0.04 1.68 1.52 2kv1A6 LYS 68 HE2 0.04 -0.06 -0.05 -0.04 2.99 2.89 2kv1A6 LYS 68 HE3 0.04 -0.00 -0.02 -0.04 2.99 2.96 2kv1A6 VAL 69 H -0.32 0.90 0.15 -0.55 8.24 8.42 2kv1A6 VAL 69 HA -0.07 0.09 0.94 -0.75 4.13 4.34 2kv1A6 VAL 69 HB -0.10 -0.11 -0.21 -0.04 2.12 1.66 2kv1A6 VAL 69 HG13 0.11 0.01 -0.23 -0.04 0.97 0.82 2kv1A6 VAL 69 HG23 -0.10 0.00 -0.45 -0.04 0.95 0.36 2kv1A6 SER 70 H -0.03 0.73 0.42 -0.55 8.46 9.03 2kv1A6 SER 70 HA -0.01 -0.07 0.89 -0.75 4.49 4.54 2kv1A6 SER 70 HB2 -0.02 0.07 -0.12 -0.04 3.95 3.84 2kv1A6 SER 70 HB3 -0.04 0.01 0.12 -0.04 3.93 3.99 2kv1A6 CYS 71 H 0.01 0.17 -0.25 -0.55 8.50 7.88 2kv1A6 CYS 71 HA 0.01 0.14 0.98 -0.75 4.58 4.95 2kv1A6 CYS 71 HB2 0.04 0.11 0.17 -0.04 2.97 3.25 2kv1A6 CYS 71 HB3 0.02 -0.06 0.29 -0.04 2.97 3.18 2kv1A6 GLY 72 H -0.01 0.42 0.01 -0.55 8.43 8.30 2kv1A6 GLY 72 HA2 -0.01 0.11 0.42 -0.51 4.01 4.02 2kv1A6 GLY 72 HA3 -0.01 0.10 0.28 -0.51 4.01 3.87 2kv1A6 LYS 73 H -0.01 0.08 -0.22 -0.55 8.42 7.72 2kv1A6 LYS 73 HA -0.00 0.11 0.42 -0.75 4.32 4.10 2kv1A6 LYS 73 HB2 -0.01 -0.02 0.14 -0.04 1.87 1.94 2kv1A6 LYS 73 HB3 0.01 -0.05 -0.02 -0.04 1.79 1.68 2kv1A6 LYS 73 HG2 -0.02 0.09 0.12 -0.04 1.46 1.61 2kv1A6 LYS 73 HG3 -0.03 -0.10 0.05 -0.04 1.46 1.34 2kv1A6 LYS 73 HD2 0.01 -0.04 -0.01 -0.04 1.69 1.61 2kv1A6 LYS 73 HD3 0.00 0.06 0.07 -0.04 1.68 1.77 2kv1A6 LYS 73 HE2 0.01 0.02 0.02 -0.04 2.99 2.99 2kv1A6 LYS 73 HE3 -0.01 0.03 0.04 -0.04 2.99 3.01 2kv1A6 CYS 74 H 0.01 -0.02 -0.04 -0.55 8.50 7.90 2kv1A6 CYS 74 HA 0.01 0.24 0.69 -0.75 4.58 4.77 2kv1A6 CYS 74 HB2 0.02 0.09 0.06 -0.04 2.97 3.10 2kv1A6 CYS 74 HB3 0.02 -0.01 -0.05 -0.04 2.97 2.88 2kv1A6 GLY 75 H 0.00 0.15 -0.04 -0.55 8.43 8.00 2kv1A6 GLY 75 HA2 -0.00 0.03 0.27 -0.51 4.01 3.80 2kv1A6 GLY 75 HA3 -0.00 0.10 0.36 -0.51 4.01 3.96 2kv1A6 ASN 76 H 0.00 0.41 0.22 -0.55 8.53 8.62 2kv1A6 ASN 76 HA -0.01 0.27 0.77 -0.75 4.76 5.04 2kv1A6 ASN 76 HB2 0.01 0.05 0.03 -0.04 2.88 2.94 2kv1A6 ASN 76 HB3 0.02 -0.15 0.18 -0.04 2.79 2.80 2kv1A6 ASN 76 HD21 0.04 -0.01 0.15 -0.04 7.03 7.16 2kv1A6 ASN 76 HD22 0.02 0.17 0.14 -0.04 7.74 8.03 2kv1A6 GLY 77 H -0.01 0.18 0.07 -0.55 8.43 8.13 2kv1A6 GLY 77 HA2 -0.03 -0.01 0.65 -0.51 4.01 4.11 2kv1A6 GLY 77 HA3 -0.03 0.16 0.22 -0.51 4.01 3.85 2kv1A6 LEU 78 H 0.01 0.02 0.33 -0.55 8.37 8.18 2kv1A6 LEU 78 HA -0.02 0.24 0.89 -0.75 4.35 4.70 2kv1A6 LEU 78 HB2 0.14 -0.06 0.10 -0.04 1.64 1.77 2kv1A6 LEU 78 HB3 -0.17 0.03 0.10 -0.04 1.64 1.56 2kv1A6 LEU 78 HG -0.00 -0.18 0.06 -0.04 1.64 1.49 2kv1A6 LEU 78 HD13 -0.03 0.03 -0.12 -0.04 0.93 0.76 2kv1A6 LEU 78 HD23 -0.12 0.04 -0.19 -0.04 0.89 0.58 2kv1A6 GLY 79 H 0.02 0.18 0.35 -0.55 8.43 8.43 2kv1A6 GLY 79 HA2 0.16 0.24 0.84 -0.51 4.01 4.73 2kv1A6 GLY 79 HA3 0.01 -0.05 0.41 -0.51 4.01 3.86 2kv1A6 HIS 80 H -0.12 0.63 0.30 -0.55 8.41 8.68 2kv1A6 HIS 80 HA -0.17 0.02 0.86 -0.75 4.63 4.57 2kv1A6 HIS 80 HB2 -0.09 0.04 0.17 -0.04 3.26 3.34 2kv1A6 HIS 80 HB3 -0.05 0.05 0.08 -0.04 3.20 3.23 2kv1A6 HIS 80 HD2 -0.01 -0.01 -0.19 -0.04 6.97 6.72 2kv1A6 HIS 80 HE1 0.04 0.01 -0.08 -0.04 7.75 7.68 2kv1A6 GLU 81 H -0.10 0.78 0.08 -0.55 8.60 8.82 2kv1A6 GLU 81 HA -0.16 0.09 0.75 -0.75 4.29 4.22 2kv1A6 GLU 81 HB2 -0.06 -0.02 -0.17 -0.04 2.09 1.79 2kv1A6 GLU 81 HB3 -0.01 0.01 0.03 -0.04 1.99 1.98 2kv1A6 GLU 81 HG2 0.11 -0.02 -0.13 -0.04 2.34 2.26 2kv1A6 GLU 81 HG3 0.31 0.03 -0.14 -0.04 2.34 2.50 2kv1A6 PHE 82 H 0.15 0.45 0.07 -0.55 8.34 8.45 2kv1A6 PHE 82 HA 0.01 0.04 1.03 -0.75 4.62 4.95 2kv1A6 PHE 82 HB2 -0.02 -0.03 0.16 -0.04 3.15 3.22 2kv1A6 PHE 82 HB3 -0.00 0.07 0.36 -0.04 3.06 3.46 2kv1A6 PHE 82 HD2 -0.01 -0.04 0.04 -0.04 7.28 7.23 2kv1A6 PHE 82 HE2 -0.02 -0.00 -0.01 -0.04 7.38 7.32 2kv1A6 PHE 82 HZ -0.01 -0.02 -0.03 -0.04 7.32 7.21 2kv1A6 LEU 83 H 0.00 0.47 -0.00 -0.55 8.37 8.29 2kv1A6 LEU 83 HA 0.12 0.10 0.58 -0.75 4.35 4.40 2kv1A6 LEU 83 HB2 0.18 -0.01 -0.61 -0.04 1.64 1.15 2kv1A6 LEU 83 HB3 0.13 0.02 -0.23 -0.04 1.64 1.52 2kv1A6 LEU 83 HG 0.11 -0.03 0.08 -0.04 1.64 1.76 2kv1A6 LEU 83 HD13 0.16 0.01 -0.17 -0.04 0.93 0.89 2kv1A6 LEU 83 HD23 0.10 0.00 -0.05 -0.04 0.89 0.90 2kv1A6 ASN 84 H 0.06 0.21 0.08 -0.55 8.53 8.33 2kv1A6 ASN 84 HA 0.03 0.06 0.30 -0.75 4.76 4.39 2kv1A6 ASN 84 HB2 0.02 0.13 0.04 -0.04 2.88 3.03 2kv1A6 ASN 84 HB3 0.02 0.02 0.10 -0.04 2.79 2.89 2kv1A6 ASN 84 HD21 0.05 0.34 -0.55 -0.04 7.03 6.83 2kv1A6 ASN 84 HD22 0.09 -0.02 -0.21 -0.04 7.74 7.56 2kv1A6 ASP 85 H -0.01 0.05 -0.82 -0.55 8.40 7.08 2kv1A6 ASP 85 HA -0.02 0.20 0.66 -0.75 4.63 4.72 2kv1A6 ASP 85 HB2 -0.07 0.03 -0.19 -0.04 2.71 2.44 2kv1A6 ASP 85 HB3 -0.11 0.09 -0.06 -0.04 2.70 2.59 2kv1A6 GLY 86 H 0.01 -0.08 -0.05 -0.55 8.43 7.76 2kv1A6 GLY 86 HA2 0.06 0.08 0.24 -0.51 4.01 3.88 2kv1A6 GLY 86 HA3 0.03 0.01 0.09 -0.51 4.01 3.63 2kv1A6 PRO 87 HA 0.01 0.17 0.44 -0.51 4.44 4.55 2kv1A6 PRO 87 HB2 0.02 -0.01 -0.04 -0.04 2.28 2.20 2kv1A6 PRO 87 HB3 -0.01 0.07 0.01 -0.04 2.02 2.05 2kv1A6 PRO 87 HG2 0.07 -0.07 0.05 -0.04 2.03 2.03 2kv1A6 PRO 87 HG3 0.00 0.01 -0.00 -0.04 2.03 2.00 2kv1A6 PRO 87 HD2 0.08 0.09 0.14 -0.04 3.68 3.94 2kv1A6 PRO 87 HD3 -0.02 0.10 -0.17 -0.04 3.65 3.52 2kv1A6 LYS 88 H 0.06 0.08 -0.08 -0.55 8.42 7.92 2kv1A6 LYS 88 HA 0.03 0.17 0.75 -0.75 4.32 4.52 2kv1A6 LYS 88 HB2 0.07 -0.02 0.15 -0.04 1.87 2.03 2kv1A6 LYS 88 HB3 0.04 -0.01 0.08 -0.04 1.79 1.86 2kv1A6 LYS 88 HG2 0.03 0.05 -0.08 -0.04 1.46 1.41 2kv1A6 LYS 88 HG3 0.04 -0.04 -0.35 -0.04 1.46 1.07 2kv1A6 LYS 88 HD2 0.04 -0.02 -0.02 -0.04 1.69 1.66 2kv1A6 LYS 88 HD3 0.04 0.01 -0.05 -0.04 1.68 1.64 2kv1A6 LYS 88 HE2 0.08 0.01 -0.06 -0.04 2.99 2.98 2kv1A6 LYS 88 HE3 0.14 -0.00 -0.01 -0.04 2.99 3.07 2kv1A6 ARG 89 H 0.05 0.05 0.11 -0.55 8.46 8.12 2kv1A6 ARG 89 HA 0.03 0.09 0.56 -0.75 4.34 4.26 2kv1A6 ARG 89 HB2 0.04 0.08 0.08 -0.04 1.90 2.05 2kv1A6 ARG 89 HB3 0.02 -0.19 0.10 -0.04 1.80 1.70 2kv1A6 ARG 89 HG2 0.01 0.01 0.05 -0.04 1.67 1.70 2kv1A6 ARG 89 HG3 0.02 0.04 0.06 -0.04 1.67 1.74 2kv1A6 ARG 89 HD2 0.02 -0.09 0.02 -0.04 3.22 3.13 2kv1A6 ARG 89 HD3 0.01 0.03 0.04 -0.04 3.22 3.26 2kv1A6 GLY 90 H 0.03 0.09 0.15 -0.55 8.43 8.15 2kv1A6 GLY 90 HA2 0.04 0.18 0.50 -0.51 4.01 4.22 2kv1A6 GLY 90 HA3 0.03 -0.00 0.32 -0.51 4.01 3.85 2kv1A6 GLN 91 H 0.04 -0.08 -0.15 -0.55 8.47 7.72 2kv1A6 GLN 91 HA 0.05 0.08 0.37 -0.75 4.36 4.10 2kv1A6 GLN 91 HB2 0.02 -0.04 0.00 -0.04 2.15 2.08 2kv1A6 GLN 91 HB3 0.02 0.05 -0.05 -0.04 2.02 2.00 2kv1A6 GLN 91 HG2 0.02 0.06 0.01 -0.04 2.40 2.45 2kv1A6 GLN 91 HG3 0.02 -0.10 0.04 -0.04 2.39 2.31 2kv1A6 GLN 91 HE21 -0.00 0.03 -0.02 -0.04 6.97 6.94 2kv1A6 GLN 91 HE22 -0.01 0.01 -0.02 -0.04 7.69 7.63 2kv1A6 SER 92 H 0.08 0.32 0.21 -0.55 8.46 8.52 2kv1A6 SER 92 HA 0.20 0.09 0.66 -0.75 4.49 4.69 2kv1A6 SER 92 HB2 0.11 -0.02 0.04 -0.04 3.95 4.04 2kv1A6 SER 92 HB3 0.16 0.02 0.23 -0.04 3.93 4.31 2kv1A6 ARG 93 H 0.17 0.44 0.33 -0.55 8.46 8.85 2kv1A6 ARG 93 HA 0.17 0.17 0.69 -0.75 4.34 4.61 2kv1A6 ARG 93 HB2 0.03 -0.08 -0.05 -0.04 1.90 1.76 2kv1A6 ARG 93 HB3 0.10 0.08 -0.07 -0.04 1.80 1.87 2kv1A6 ARG 93 HG2 0.12 0.08 0.14 -0.04 1.67 1.97 2kv1A6 ARG 93 HG3 0.06 -0.11 -0.27 -0.04 1.67 1.32 2kv1A6 ARG 93 HD2 0.11 0.07 -0.26 -0.04 3.22 3.11 2kv1A6 ARG 93 HD3 0.09 -0.04 -0.09 -0.04 3.22 3.14 2kv1A6 PHE 94 H 0.29 0.72 0.17 -0.55 8.34 8.97 2kv1A6 PHE 94 HA 0.10 0.05 0.82 -0.75 4.62 4.84 2kv1A6 PHE 94 HB2 0.12 0.04 -0.11 -0.04 3.15 3.17 2kv1A6 PHE 94 HB3 0.18 -0.03 -0.05 -0.04 3.06 3.12 2kv1A6 PHE 94 HD2 0.08 -0.03 -0.20 -0.04 7.28 7.08 2kv1A6 PHE 94 HE2 0.06 -0.02 -0.18 -0.04 7.38 7.19 2kv1A6 PHE 94 HZ 0.02 -0.03 -0.20 -0.04 7.32 7.07 2kv1A6 CYS 95 H -0.21 0.60 0.31 -0.55 8.50 8.66 2kv1A6 CYS 95 HA -0.12 0.13 0.74 -0.75 4.58 4.57 2kv1A6 CYS 95 HB2 -0.06 0.05 -0.05 -0.04 2.97 2.87 2kv1A6 CYS 95 HB3 -0.06 -0.05 0.22 -0.04 2.97 3.04 2kv1A6 ILE 96 H -0.23 0.27 0.21 -0.55 8.25 7.95 2kv1A6 ILE 96 HA 0.05 0.08 0.92 -0.75 4.18 4.47 2kv1A6 ILE 96 HB 0.17 -0.02 -0.11 -0.04 1.89 1.88 2kv1A6 ILE 96 HG12 0.15 0.20 -0.09 -0.04 1.49 1.70 2kv1A6 ILE 96 HG13 0.16 -0.12 0.11 -0.04 1.21 1.32 2kv1A6 ILE 96 HG23 -0.16 0.02 -0.09 -0.04 0.93 0.66 2kv1A6 ILE 96 HD13 0.29 -0.00 -0.08 -0.04 0.88 1.05 2kv1A6 PHE 97 H 0.31 0.09 0.06 -0.55 8.34 8.24 2kv1A6 PHE 97 HA 0.02 0.16 0.65 -0.75 4.62 4.69 2kv1A6 PHE 97 HB2 0.04 -0.04 0.07 -0.04 3.15 3.18 2kv1A6 PHE 97 HB3 0.05 -0.10 -0.04 -0.04 3.06 2.93 2kv1A6 PHE 97 HD2 0.05 -0.01 -0.00 -0.04 7.28 7.28 2kv1A6 PHE 97 HE2 0.04 0.06 0.03 -0.04 7.38 7.47 2kv1A6 PHE 97 HZ 0.00 0.02 0.01 -0.04 7.32 7.31 2kv1A6 SER 98 H 0.12 0.21 0.16 -0.55 8.46 8.40 2kv1A6 SER 98 HA 0.12 0.12 0.31 -0.75 4.49 4.28 2kv1A6 SER 98 HB2 0.13 0.05 0.02 -0.04 3.95 4.12 2kv1A6 SER 98 HB3 0.09 0.08 0.11 -0.04 3.93 4.17 2kv1A6 SER 99 H 0.19 0.04 -0.15 -0.55 8.46 7.99 2kv1A6 SER 99 HA 0.09 0.36 0.48 -0.75 4.49 4.66 2kv1A6 SER 99 HB2 0.09 -0.06 0.10 -0.04 3.95 4.04 2kv1A6 SER 99 HB3 0.09 -0.03 0.04 -0.04 3.93 3.98 2kv1A6 SER 100 H 0.17 0.36 -0.58 -0.55 8.46 7.86 2kv1A6 SER 100 HA 0.08 -0.00 0.74 -0.75 4.49 4.56 2kv1A6 SER 100 HB2 0.16 -0.11 0.16 -0.04 3.95 4.11 2kv1A6 SER 100 HB3 0.16 0.16 0.01 -0.04 3.93 4.21 2kv1A6 LEU 101 H 0.15 0.44 -0.03 -0.55 8.37 8.39 2kv1A6 LEU 101 HA 0.15 -0.14 0.70 -0.75 4.35 4.31 2kv1A6 LEU 101 HB2 0.29 0.09 0.08 -0.04 1.64 2.06 2kv1A6 LEU 101 HB3 0.32 0.22 0.26 -0.04 1.64 2.41 2kv1A6 LEU 101 HG 0.24 0.02 -0.02 -0.04 1.64 1.83 2kv1A6 LEU 101 HD13 0.18 -0.00 -0.13 -0.04 0.93 0.94 2kv1A6 LEU 101 HD23 0.19 -0.02 -0.24 -0.04 0.89 0.77 2kv1A6 LYS 102 H 0.15 0.73 0.16 -0.55 8.42 8.91 2kv1A6 LYS 102 HA 0.09 0.10 0.35 -0.75 4.32 4.10 2kv1A6 LYS 102 HB2 0.02 -0.02 -0.16 -0.04 1.87 1.67 2kv1A6 LYS 102 HB3 -0.00 -0.02 0.12 -0.04 1.79 1.84 2kv1A6 LYS 102 HG2 0.02 0.02 0.05 -0.04 1.46 1.51 2kv1A6 LYS 102 HG3 0.04 0.01 -0.22 -0.04 1.46 1.25 2kv1A6 LYS 102 HD2 -0.02 -0.04 -0.01 -0.04 1.69 1.58 2kv1A6 LYS 102 HD3 -0.00 0.11 -0.02 -0.04 1.68 1.72 2kv1A6 LYS 102 HE2 0.02 0.14 -0.15 -0.04 2.99 2.95 2kv1A6 LYS 102 HE3 -0.01 -0.08 -0.16 -0.04 2.99 2.71 2kv1A6 PHE 103 H 0.02 0.26 0.16 -0.55 8.34 8.22 2kv1A6 PHE 103 HA -0.43 0.23 0.93 -0.75 4.62 4.59 2kv1A6 PHE 103 HB2 -0.42 -0.04 -0.09 -0.04 3.15 2.57 2kv1A6 PHE 103 HB3 -0.40 -0.04 0.04 -0.04 3.06 2.62 2kv1A6 PHE 103 HD2 -1.21 -0.04 -0.20 -0.04 7.28 5.79 2kv1A6 PHE 103 HE2 -0.18 0.01 -0.31 -0.04 7.38 6.86 2kv1A6 PHE 103 HZ -0.05 0.11 -0.25 -0.04 7.32 7.10 2kv1A6 VAL 104 H -0.84 0.78 0.25 -0.55 8.24 7.89 2kv1A6 VAL 104 HA -0.35 0.19 0.78 -0.75 4.13 3.99 2kv1A6 VAL 104 HB -0.19 -0.01 -0.19 -0.04 2.12 1.69 2kv1A6 VAL 104 HG13 -0.21 -0.00 -0.10 -0.04 0.97 0.62 2kv1A6 VAL 104 HG23 -0.15 0.03 -0.01 -0.04 0.95 0.78 2kv1A6 PRO 105 HA -0.38 0.03 0.65 -0.51 4.44 4.23 2kv1A6 PRO 105 HB2 0.03 0.16 0.05 -0.04 2.28 2.47 2kv1A6 PRO 105 HB3 0.08 -0.02 -0.04 -0.04 2.02 2.00 2kv1A6 PRO 105 HG2 -0.04 0.03 0.02 -0.04 2.03 2.00 2kv1A6 PRO 105 HG3 0.04 0.01 0.01 -0.04 2.03 2.06 2kv1A6 PRO 105 HD2 -0.19 0.11 0.20 -0.04 3.68 3.76 2kv1A6 PRO 105 HD3 -0.31 0.12 0.01 -0.04 3.65 3.43 2kv1A6 LYS 106 H -0.06 0.76 0.42 -0.55 8.42 8.99 2kv1A6 LYS 106 HA -0.05 0.17 0.61 -0.75 4.32 4.30 2kv1A6 LYS 106 HB2 -0.07 0.03 -0.10 -0.04 1.87 1.69 2kv1A6 LYS 106 HB3 -0.03 -0.06 0.02 -0.04 1.79 1.68 2kv1A6 LYS 106 HG2 -0.03 -0.00 0.01 -0.04 1.46 1.40 2kv1A6 LYS 106 HG3 -0.03 -0.19 0.09 -0.04 1.46 1.30 2kv1A6 LYS 106 HD2 -0.04 -0.00 0.03 -0.04 1.69 1.64 2kv1A6 LYS 106 HD3 -0.07 0.24 0.11 -0.04 1.68 1.92 2kv1A6 LYS 106 HE2 -0.06 -0.02 -0.07 -0.04 2.99 2.80 2kv1A6 LYS 106 HE3 -0.04 -0.04 -0.02 -0.04 2.99 2.85 2kv1A6 GLY 107 H -0.01 0.10 0.04 -0.55 8.43 8.01 2kv1A6 GLY 107 HA2 0.01 0.02 0.41 -0.51 4.01 3.94 2kv1A6 GLY 107 HA3 0.00 0.14 0.46 -0.51 4.01 4.10 2kv1A6 LYS 108 H 0.00 0.11 0.15 -0.55 8.42 8.13 2kv1A6 LYS 108 HA -0.00 0.20 0.63 -0.75 4.32 4.39 2kv1A6 LYS 108 HB2 -0.00 -0.05 0.14 -0.04 1.87 1.92 2kv1A6 LYS 108 HB3 -0.00 0.07 -0.05 -0.04 1.79 1.76 2kv1A6 LYS 108 HG2 -0.01 0.02 0.01 -0.04 1.46 1.45 2kv1A6 LYS 108 HG3 -0.01 0.06 0.05 -0.04 1.46 1.52 2kv1A6 LYS 108 HD2 -0.01 0.07 -0.15 -0.04 1.69 1.56 2kv1A6 LYS 108 HD3 -0.01 -0.10 -0.04 -0.04 1.68 1.49 2kv1A6 LYS 108 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.92 2kv1A6 LYS 108 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.93 2kv1A6 GLU 109 H 0.01 0.02 0.05 -0.55 8.60 8.13 2kv1A6 GLU 109 HA 0.01 0.11 0.24 -0.75 4.29 3.90 2kv1A6 GLU 109 HB2 0.02 0.01 0.13 -0.04 2.09 2.21 2kv1A6 GLU 109 HB3 0.02 -0.04 0.09 -0.04 1.99 2.01 2kv1A6 GLU 109 HG2 0.02 0.05 -0.00 -0.04 2.34 2.36 2kv1A6 GLU 109 HG3 0.01 -0.06 -0.10 -0.04 2.34 2.15 2kv1A6 ALA 110 H 0.01 0.08 -0.15 -0.55 8.40 7.80 2kv1A6 ALA 110 HA 0.01 0.05 0.26 -0.75 4.34 3.90 2kv1A6 ALA 110 HB3 0.00 0.07 -0.08 -0.04 1.41 1.36 2kv1A6 ALA 111 H 0.01 0.03 -0.53 -0.55 8.40 7.36 2kv1A6 ALA 111 HA 0.01 0.00 0.25 -0.75 4.34 3.85 2kv1A6 ALA 111 HB3 0.01 0.03 0.08 -0.04 1.41 1.49 2kv1A6 ALA 112 H 0.00 0.22 -0.67 -0.55 8.40 7.41 2kv1A6 ALA 112 HA -0.00 -0.01 0.30 -0.75 4.34 3.88 2kv1A6 ALA 112 HB3 -0.00 0.04 0.04 -0.04 1.41 1.45 2kv1A6 SER 113 H 0.00 0.12 -0.12 -0.55 8.46 7.91 2kv1A6 SER 113 HA 0.01 0.17 0.36 -0.75 4.49 4.28 2kv1A6 SER 113 HB2 0.01 -0.01 0.18 -0.04 3.95 4.09 2kv1A6 SER 113 HB3 0.01 0.03 0.02 -0.04 3.93 3.95 2kv1A6 GLN 114 H -0.00 0.50 -0.46 -0.55 8.47 7.97 2kv1A6 GLN 114 HA 0.02 0.13 0.71 -0.75 4.36 4.47 2kv1A6 GLN 114 HB2 -0.01 -0.07 -0.18 -0.04 2.15 1.85 2kv1A6 GLN 114 HB3 -0.03 0.02 -0.14 -0.04 2.02 1.83 2kv1A6 GLN 114 HG2 -0.01 -0.00 -0.05 -0.04 2.40 2.30 2kv1A6 GLN 114 HG3 0.02 -0.08 0.04 -0.04 2.39 2.33 2kv1A6 GLN 114 HE21 0.05 -0.02 -0.03 -0.04 6.97 6.93 2kv1A6 GLN 114 HE22 0.03 0.00 -0.03 -0.04 7.69 7.64 2kv1A6 GLY 115 H 0.02 0.11 0.05 -0.55 8.43 8.07 2kv1A6 GLY 115 HA2 -0.08 -0.03 0.22 -0.51 4.01 3.61 2kv1A6 GLY 115 HA3 -0.01 0.15 0.70 -0.51 4.01 4.34 2kv1A6 HIS 116 H -0.21 0.27 0.18 -0.55 8.41 8.11 2kv1A6 HIS 116 HA 0.01 0.05 0.29 -0.75 4.63 4.23 2kv1A6 HIS 116 HB2 0.02 -0.00 0.16 -0.04 3.26 3.40 2kv1A6 HIS 116 HB3 0.01 0.12 0.16 -0.04 3.20 3.45 2kv1A6 HIS 116 HD2 0.01 -0.02 -0.11 -0.04 6.97 6.80 2kv1A6 HIS 116 HE1 -0.01 -0.03 -0.03 -0.04 7.75 7.63 2kv1A6 LEU 117 H 0.14 0.10 0.12 -0.55 8.37 8.18 2kv1A6 LEU 117 HA 0.06 0.07 0.57 -0.75 4.35 4.30 2kv1A6 LEU 117 HB2 0.07 0.03 0.16 -0.04 1.64 1.85 2kv1A6 LEU 117 HB3 0.06 -0.01 0.13 -0.04 1.64 1.78 2kv1A6 LEU 117 HG 0.13 0.08 -0.27 -0.04 1.64 1.54 2kv1A6 LEU 117 HD13 0.04 0.00 -0.00 -0.04 0.93 0.93 2kv1A6 LEU 117 HD23 0.09 -0.01 0.02 -0.04 0.89 0.95 2kv1A6 GLU 118 H 0.08 0.12 0.20 -0.55 8.60 8.46 2kv1A6 GLU 118 HA 0.05 0.17 0.78 -0.75 4.29 4.54 2kv1A6 GLU 118 HB2 0.01 -0.01 0.06 -0.04 2.09 2.10 2kv1A6 GLU 118 HB3 0.03 0.07 -0.02 -0.04 1.99 2.02 2kv1A6 GLU 118 HG2 0.05 -0.01 -0.03 -0.04 2.34 2.31 2kv1A6 GLU 118 HG3 0.03 0.02 -0.02 -0.04 2.34 2.33 2kv1A6 HIS 119 H -0.20 0.23 0.13 -0.55 8.41 8.03 2kv1A6 HIS 119 HA 0.05 0.10 0.68 -0.75 4.63 4.70 2kv1A6 HIS 119 HB2 0.02 -0.00 -0.04 -0.04 3.26 3.20 2kv1A6 HIS 119 HB3 0.02 0.09 -0.14 -0.04 3.20 3.12 2kv1A6 HIS 119 HD2 0.04 -0.01 -0.09 -0.04 6.97 6.86 2kv1A6 HIS 119 HE1 -0.01 0.02 -0.02 -0.04 7.75 7.70 2kv1A6 HIS 120 H 0.16 0.32 0.15 -0.55 8.41 8.49 2kv1A6 HIS 120 HA 0.13 0.09 0.33 -0.75 4.63 4.42 2kv1A6 HIS 120 HB2 0.05 0.07 0.20 -0.04 3.26 3.54 2kv1A6 HIS 120 HB3 0.04 -0.04 -0.09 -0.04 3.20 3.07 2kv1A6 HIS 120 HD2 0.09 0.06 -0.06 -0.04 6.97 7.01 2kv1A6 HIS 120 HE1 0.03 0.00 -0.07 -0.04 7.75 7.66 2kv1A6 HIS 121 H 0.04 0.35 0.19 -0.55 8.41 8.44 2kv1A6 HIS 121 HA -0.60 0.06 0.26 -0.75 4.63 3.59 2kv1A6 HIS 121 HB2 -0.19 -0.00 -0.19 -0.04 3.26 2.84 2kv1A6 HIS 121 HB3 -0.29 0.03 -0.08 -0.04 3.20 2.82 2kv1A6 HIS 121 HD2 -0.79 0.00 -0.02 -0.04 6.97 6.12 2kv1A6 HIS 121 HE1 -0.08 0.01 0.06 -0.04 7.75 7.69 2kv1A6 HIS 122 H -0.66 0.06 0.10 -0.55 8.41 7.37 2kv1A6 HIS 122 HA -0.05 0.18 0.55 -0.75 4.63 4.55 2kv1A6 HIS 122 HB2 -0.04 0.00 -0.06 -0.04 3.26 3.13 2kv1A6 HIS 122 HB3 0.00 0.12 -0.04 -0.04 3.20 3.24 2kv1A6 HIS 122 HD2 0.03 -0.01 -0.21 -0.04 6.97 6.74 2kv1A6 HIS 122 HE1 -0.33 0.06 -0.03 -0.04 7.75 7.40 2kv1A6 HIS 123 H -0.89 0.07 0.10 -0.55 8.41 7.15 2kv1A6 HIS 123 HA -0.34 0.03 0.40 -0.75 4.63 3.97 2kv1A6 HIS 123 HB2 -0.02 0.13 0.37 -0.04 3.26 3.70 2kv1A6 HIS 123 HB3 -0.04 0.07 0.09 -0.04 3.20 3.27 2kv1A6 HIS 123 HD2 -0.29 -0.05 0.09 -0.04 6.97 6.68 2kv1A6 HIS 123 HE1 0.01 0.02 -0.01 -0.04 7.75 7.72 2kv1A6 HIS 124 H 0.18 0.58 -0.36 -0.55 8.41 8.26 2kv1A6 HIS 124 HA 0.10 0.07 0.12 -0.75 4.63 4.17 2kv1A6 HIS 124 HB2 0.07 0.02 0.02 -0.04 3.26 3.34 2kv1A6 HIS 124 HB3 0.13 0.00 -0.08 -0.04 3.20 3.21 2kv1A6 HIS 124 HD2 -0.12 -0.00 -0.08 -0.04 6.97 6.72 2kv1A6 HIS 124 HE1 0.07 -0.01 -0.01 -0.04 7.75 7.77