============================================================================= 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 67.237 76.172 45.444 -99.200 -91.000 PHE 6 1.000 67.032 73.223 56.525 -99.200 -91.000 PHE 7 1.000 70.386 69.857 58.804 -99.200 -91.000 PHE 12 1.000 68.164 57.503 50.557 -99.200 -91.000 HIS 15 0.900 63.730 62.571 48.167 -99.200 -91.000 PHE 16 1.000 58.043 59.651 44.769 -99.200 -91.000 TYR 21 0.840 65.816 40.387 46.168 -99.200 -91.000 TYR 28 0.840 76.022 47.053 51.580 -99.200 -91.000 PHE 31 1.000 67.281 44.266 42.189 -99.200 -91.000 HIS 34 0.900 72.077 50.238 34.602 -99.200 -91.000 TYR 37 0.840 62.258 41.013 33.830 -99.200 -91.000 HIS 39 0.900 57.376 42.245 28.476 -99.200 -91.000 TRP 43 1.040 57.512 30.464 32.840 -99.200 -91.000 TRP6 43 1.020 55.957 28.855 33.709 -99.200 -91.000 PHE 46 1.000 64.047 40.378 40.742 -99.200 -91.000 HIS 51 0.900 80.908 46.783 39.019 -99.200 -91.000 HIS 80 0.900 70.761 26.643 39.379 -99.200 -91.000 PHE 82 1.000 67.944 30.255 29.157 -99.200 -91.000 PHE 94 1.000 69.745 37.444 39.262 -99.200 -91.000 PHE 97 1.000 66.899 26.899 45.918 -99.200 -91.000 PHE 103 1.000 60.771 43.206 46.728 -99.200 -91.000 HIS 116 0.900 59.642 65.518 69.991 -99.200 -91.000 HIS 119 0.900 63.395 75.966 68.410 -99.200 -91.000 HIS 120 0.900 64.566 76.043 76.244 -99.200 -91.000 HIS 121 0.900 63.949 81.745 74.027 -99.200 -91.000 HIS 122 0.900 69.564 81.589 79.497 -99.200 -91.000 HIS 123 0.900 65.235 84.477 78.655 -99.200 -91.000 HIS 124 0.900 73.537 89.909 77.982 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kv1A13 MET 1 HA -0.26 -0.08 0.18 -0.75 4.52 3.60 2kv1A13 MET 1 HB2 -0.09 -0.02 0.01 -0.04 2.15 2.01 2kv1A13 MET 1 HB3 -0.12 0.01 0.02 -0.04 2.03 1.89 2kv1A13 MET 1 HG2 -0.08 -0.03 0.02 -0.04 2.63 2.49 2kv1A13 MET 1 HG3 -0.16 -0.00 0.03 -0.04 2.56 2.38 2kv1A13 MET 1 HE3 0.00 -0.00 -0.01 -0.04 2.10 2.04 2kv1A13 SER 2 H -0.20 0.20 0.10 -0.55 8.46 8.01 2kv1A13 SER 2 HA -0.01 0.11 0.51 -0.75 4.49 4.36 2kv1A13 SER 2 HB2 -0.05 0.17 -0.39 -0.04 3.95 3.64 2kv1A13 SER 2 HB3 -0.06 0.01 -0.27 -0.04 3.93 3.57 2kv1A13 PHE 3 H 0.14 0.17 0.09 -0.55 8.34 8.19 2kv1A13 PHE 3 HA -0.04 0.09 0.73 -0.75 4.62 4.65 2kv1A13 PHE 3 HB2 -0.02 0.01 0.16 -0.04 3.15 3.25 2kv1A13 PHE 3 HB3 -0.02 -0.00 0.22 -0.04 3.06 3.21 2kv1A13 PHE 3 HD2 -0.01 -0.00 0.03 -0.04 7.28 7.25 2kv1A13 PHE 3 HE2 -0.01 -0.00 -0.02 -0.04 7.38 7.31 2kv1A13 PHE 3 HZ -0.00 -0.00 -0.03 -0.04 7.32 7.24 2kv1A13 CYS 4 H -0.25 0.37 0.17 -0.55 8.50 8.24 2kv1A13 CYS 4 HA -0.15 0.11 0.67 -0.75 4.58 4.44 2kv1A13 CYS 4 HB2 -0.06 -0.00 -0.07 -0.04 2.97 2.80 2kv1A13 CYS 4 HB3 -0.15 0.06 -0.29 -0.04 2.97 2.54 2kv1A13 SER 5 H -0.01 0.16 0.07 -0.55 8.46 8.13 2kv1A13 SER 5 HA -0.09 0.11 0.45 -0.75 4.49 4.21 2kv1A13 SER 5 HB2 -0.05 0.02 0.17 -0.04 3.95 4.05 2kv1A13 SER 5 HB3 -0.07 0.01 0.10 -0.04 3.93 3.93 2kv1A13 PHE 6 H 0.02 0.51 0.38 -0.55 8.34 8.69 2kv1A13 PHE 6 HA -0.38 0.09 0.78 -0.75 4.62 4.35 2kv1A13 PHE 6 HB2 -0.31 0.10 -0.00 -0.04 3.15 2.90 2kv1A13 PHE 6 HB3 -0.65 0.05 0.02 -0.04 3.06 2.44 2kv1A13 PHE 6 HD2 -0.60 -0.09 -0.33 -0.04 7.28 6.22 2kv1A13 PHE 6 HE2 -0.10 -0.01 -0.05 -0.04 7.38 7.18 2kv1A13 PHE 6 HZ -0.07 0.01 -0.03 -0.04 7.32 7.19 2kv1A13 PHE 7 H -1.04 0.06 0.15 -0.55 8.34 6.95 2kv1A13 PHE 7 HA -0.00 0.12 0.49 -0.75 4.62 4.48 2kv1A13 PHE 7 HB2 -0.00 -0.15 0.22 -0.04 3.15 3.17 2kv1A13 PHE 7 HB3 -0.04 0.07 0.15 -0.04 3.06 3.20 2kv1A13 PHE 7 HD2 -0.04 -0.05 -0.05 -0.04 7.28 7.10 2kv1A13 PHE 7 HE2 -0.04 0.04 0.02 -0.04 7.38 7.35 2kv1A13 PHE 7 HZ 0.12 0.04 0.02 -0.04 7.32 7.46 2kv1A13 GLY 8 H 0.26 0.10 0.12 -0.55 8.43 8.36 2kv1A13 GLY 8 HA2 0.10 0.23 0.71 -0.51 4.01 4.54 2kv1A13 GLY 8 HA3 0.08 0.05 0.25 -0.51 4.01 3.88 2kv1A13 GLY 9 H 0.28 0.06 0.04 -0.55 8.43 8.26 2kv1A13 GLY 9 HA2 0.03 0.06 0.33 -0.51 4.01 3.92 2kv1A13 GLY 9 HA3 0.02 0.02 0.34 -0.51 4.01 3.89 2kv1A13 GLU 10 H 0.11 0.19 -0.05 -0.55 8.60 8.31 2kv1A13 GLU 10 HA 0.01 0.14 0.51 -0.75 4.29 4.20 2kv1A13 GLU 10 HB2 0.06 0.11 -0.05 -0.04 2.09 2.17 2kv1A13 GLU 10 HB3 0.07 0.01 -0.03 -0.04 1.99 1.99 2kv1A13 GLU 10 HG2 0.10 0.09 -0.06 -0.04 2.34 2.43 2kv1A13 GLU 10 HG3 0.08 -0.11 -0.21 -0.04 2.34 2.07 2kv1A13 VAL 11 H -0.17 0.10 0.15 -0.55 8.24 7.76 2kv1A13 VAL 11 HA -0.04 0.21 0.79 -0.75 4.13 4.34 2kv1A13 VAL 11 HB -0.55 0.01 0.06 -0.04 2.12 1.61 2kv1A13 VAL 11 HG13 -0.12 0.01 0.04 -0.04 0.97 0.86 2kv1A13 VAL 11 HG23 -0.11 0.04 -0.14 -0.04 0.95 0.71 2kv1A13 PHE 12 H -0.05 0.01 0.08 -0.55 8.34 7.83 2kv1A13 PHE 12 HA 0.13 0.10 0.28 -0.75 4.62 4.37 2kv1A13 PHE 12 HB2 0.04 0.01 0.15 -0.04 3.15 3.31 2kv1A13 PHE 12 HB3 0.04 0.08 0.17 -0.04 3.06 3.31 2kv1A13 PHE 12 HD2 0.05 0.02 0.00 -0.04 7.28 7.31 2kv1A13 PHE 12 HE2 0.00 0.02 -0.00 -0.04 7.38 7.37 2kv1A13 PHE 12 HZ 0.00 0.02 0.00 -0.04 7.32 7.31 2kv1A13 GLN 13 H 0.04 0.33 -0.48 -0.55 8.47 7.81 2kv1A13 GLN 13 HA 0.04 0.17 0.75 -0.75 4.36 4.57 2kv1A13 GLN 13 HB2 -0.00 0.05 0.00 -0.04 2.15 2.16 2kv1A13 GLN 13 HB3 0.03 -0.03 -0.06 -0.04 2.02 1.92 2kv1A13 GLN 13 HG2 -0.08 -0.12 0.08 -0.04 2.40 2.23 2kv1A13 GLN 13 HG3 -0.04 0.06 -0.04 -0.04 2.39 2.34 2kv1A13 GLN 13 HE21 0.04 -0.17 -0.46 -0.04 6.97 6.34 2kv1A13 GLN 13 HE22 0.04 0.39 -0.53 -0.04 7.69 7.55 2kv1A13 ASN 14 H -0.31 0.13 0.13 -0.55 8.53 7.94 2kv1A13 ASN 14 HA -0.11 0.16 0.44 -0.75 4.76 4.49 2kv1A13 ASN 14 HB2 -0.62 -0.02 0.11 -0.04 2.88 2.31 2kv1A13 ASN 14 HB3 -0.37 0.01 0.03 -0.04 2.79 2.42 2kv1A13 ASN 14 HD21 -0.05 -0.02 0.04 -0.04 7.03 6.95 2kv1A13 ASN 14 HD22 -0.05 0.08 -0.00 -0.04 7.74 7.73 2kv1A13 HIS 15 H -0.20 0.03 -0.20 -0.55 8.41 7.49 2kv1A13 HIS 15 HA -0.24 0.15 0.57 -0.75 4.63 4.36 2kv1A13 HIS 15 HB2 0.09 -0.01 -0.01 -0.04 3.26 3.30 2kv1A13 HIS 15 HB3 -0.15 -0.03 0.04 -0.04 3.20 3.03 2kv1A13 HIS 15 HD2 -0.15 0.07 -0.15 -0.04 6.97 6.70 2kv1A13 HIS 15 HE1 -0.07 0.02 0.06 -0.04 7.75 7.72 2kv1A13 PHE 16 H -0.54 0.12 0.06 -0.55 8.34 7.43 2kv1A13 PHE 16 HA 0.05 0.21 0.67 -0.75 4.62 4.79 2kv1A13 PHE 16 HB2 0.03 0.02 0.10 -0.04 3.15 3.26 2kv1A13 PHE 16 HB3 0.03 0.09 -0.24 -0.04 3.06 2.90 2kv1A13 PHE 16 HD2 0.04 0.11 -0.02 -0.04 7.28 7.36 2kv1A13 PHE 16 HE2 0.04 0.02 0.01 -0.04 7.38 7.41 2kv1A13 PHE 16 HZ 0.05 -0.01 0.00 -0.04 7.32 7.31 2kv1A13 GLU 17 H 0.05 0.04 -0.04 -0.55 8.60 8.10 2kv1A13 GLU 17 HA 0.04 0.02 0.35 -0.75 4.29 3.95 2kv1A13 GLU 17 HB2 -0.02 0.01 0.02 -0.04 2.09 2.07 2kv1A13 GLU 17 HB3 0.00 0.08 0.09 -0.04 1.99 2.12 2kv1A13 GLU 17 HG2 0.04 -0.08 -0.00 -0.04 2.34 2.25 2kv1A13 GLU 17 HG3 0.00 0.01 0.01 -0.04 2.34 2.32 2kv1A13 PRO 18 HA 0.07 0.09 0.56 -0.51 4.44 4.65 2kv1A13 PRO 18 HB2 0.08 0.10 0.07 -0.04 2.28 2.50 2kv1A13 PRO 18 HB3 0.07 0.01 0.13 -0.04 2.02 2.19 2kv1A13 PRO 18 HG2 0.07 0.07 -0.01 -0.04 2.03 2.12 2kv1A13 PRO 18 HG3 0.07 0.02 0.05 -0.04 2.03 2.12 2kv1A13 PRO 18 HD2 0.04 0.03 0.19 -0.04 3.68 3.90 2kv1A13 PRO 18 HD3 0.06 0.12 0.17 -0.04 3.65 3.96 2kv1A13 GLY 19 H 0.10 0.06 0.15 -0.55 8.43 8.19 2kv1A13 GLY 19 HA2 -0.17 0.06 0.59 -0.51 4.01 3.98 2kv1A13 GLY 19 HA3 -0.22 -0.03 0.35 -0.51 4.01 3.61 2kv1A13 VAL 20 H -0.56 0.67 0.26 -0.55 8.24 8.06 2kv1A13 VAL 20 HA -0.06 0.14 0.41 -0.75 4.13 3.87 2kv1A13 VAL 20 HB -0.18 0.01 -0.06 -0.04 2.12 1.85 2kv1A13 VAL 20 HG13 -0.03 0.01 -0.08 -0.04 0.97 0.83 2kv1A13 VAL 20 HG23 -0.14 0.04 -0.10 -0.04 0.95 0.72 2kv1A13 TYR 21 H 0.11 0.16 0.06 -0.55 8.29 8.07 2kv1A13 TYR 21 HA -0.00 0.28 1.02 -0.75 4.56 5.11 2kv1A13 TYR 21 HB2 0.18 -0.00 0.13 -0.04 3.06 3.33 2kv1A13 TYR 21 HB3 0.13 -0.01 -0.01 -0.04 2.98 3.05 2kv1A13 TYR 21 HD2 -0.22 0.01 -0.12 -0.04 7.15 6.78 2kv1A13 TYR 21 HE2 -0.14 0.04 -0.26 -0.04 6.85 6.45 2kv1A13 VAL 22 H 0.14 0.66 0.34 -0.55 8.24 8.83 2kv1A13 VAL 22 HA 0.08 0.19 0.78 -0.75 4.13 4.42 2kv1A13 VAL 22 HB 0.04 0.02 -0.07 -0.04 2.12 2.08 2kv1A13 VAL 22 HG13 -0.04 0.01 -0.25 -0.04 0.97 0.65 2kv1A13 VAL 22 HG23 0.02 0.03 -0.23 -0.04 0.95 0.72 2kv1A13 CYS 23 H 0.10 0.43 0.25 -0.55 8.50 8.74 2kv1A13 CYS 23 HA 0.13 0.16 0.79 -0.75 4.58 4.91 2kv1A13 CYS 23 HB2 0.11 0.13 0.19 -0.04 2.97 3.36 2kv1A13 CYS 23 HB3 0.10 -0.29 0.24 -0.04 2.97 2.98 2kv1A13 ALA 24 H 0.10 0.56 0.39 -0.55 8.40 8.91 2kv1A13 ALA 24 HA 0.06 0.15 0.62 -0.75 4.34 4.42 2kv1A13 ALA 24 HB3 0.08 -0.01 -0.06 -0.04 1.41 1.38 2kv1A13 LYS 25 H 0.07 -0.15 -0.12 -0.55 8.42 7.66 2kv1A13 LYS 25 HA 0.04 0.27 0.71 -0.75 4.32 4.59 2kv1A13 LYS 25 HB2 0.05 -0.15 0.11 -0.04 1.87 1.84 2kv1A13 LYS 25 HB3 0.04 0.05 -0.07 -0.04 1.79 1.77 2kv1A13 LYS 25 HG2 0.04 0.12 -0.26 -0.04 1.46 1.31 2kv1A13 LYS 25 HG3 0.04 -0.07 -0.07 -0.04 1.46 1.33 2kv1A13 LYS 25 HD2 0.03 0.05 -0.01 -0.04 1.69 1.71 2kv1A13 LYS 25 HD3 0.02 0.02 -0.06 -0.04 1.68 1.63 2kv1A13 LYS 25 HE2 0.02 -0.11 -0.32 -0.04 2.99 2.54 2kv1A13 LYS 25 HE3 0.03 -0.15 -0.24 -0.04 2.99 2.58 2kv1A13 CYS 26 H 0.07 -0.09 0.10 -0.55 8.50 8.03 2kv1A13 CYS 26 HA 0.05 0.24 0.60 -0.75 4.58 4.71 2kv1A13 CYS 26 HB2 0.11 -0.08 0.10 -0.04 2.97 3.06 2kv1A13 CYS 26 HB3 0.08 0.09 0.08 -0.04 2.97 3.18 2kv1A13 SER 27 H 0.08 -0.07 -0.16 -0.55 8.46 7.76 2kv1A13 SER 27 HA 0.08 0.21 0.27 -0.75 4.49 4.29 2kv1A13 SER 27 HB2 0.05 -0.02 0.11 -0.04 3.95 4.05 2kv1A13 SER 27 HB3 0.05 0.07 -0.13 -0.04 3.93 3.88 2kv1A13 TYR 28 H 0.18 -0.13 -0.35 -0.55 8.29 7.45 2kv1A13 TYR 28 HA 0.02 0.23 0.84 -0.75 4.56 4.90 2kv1A13 TYR 28 HB2 0.02 0.14 -0.02 -0.04 3.06 3.16 2kv1A13 TYR 28 HB3 0.03 -0.13 -0.00 -0.04 2.98 2.84 2kv1A13 TYR 28 HD2 0.02 -0.01 0.04 -0.04 7.15 7.15 2kv1A13 TYR 28 HE2 0.02 -0.00 0.01 -0.04 6.85 6.83 2kv1A13 GLU 29 H -0.28 0.20 0.12 -0.55 8.60 8.09 2kv1A13 GLU 29 HA -0.07 0.20 0.84 -0.75 4.29 4.52 2kv1A13 GLU 29 HB2 -0.12 -0.02 0.16 -0.04 2.09 2.07 2kv1A13 GLU 29 HB3 -0.08 0.06 0.01 -0.04 1.99 1.94 2kv1A13 GLU 29 HG2 -0.00 0.02 -0.27 -0.04 2.34 2.05 2kv1A13 GLU 29 HG3 0.03 -0.01 -0.04 -0.04 2.34 2.29 2kv1A13 LEU 30 H -0.02 0.72 0.31 -0.55 8.37 8.84 2kv1A13 LEU 30 HA -0.11 0.09 0.81 -0.75 4.35 4.38 2kv1A13 LEU 30 HB2 -0.09 -0.06 -0.11 -0.04 1.64 1.34 2kv1A13 LEU 30 HB3 -0.39 0.10 -0.44 -0.04 1.64 0.87 2kv1A13 LEU 30 HG -0.01 0.08 -0.07 -0.04 1.64 1.60 2kv1A13 LEU 30 HD13 0.02 -0.02 -0.14 -0.04 0.93 0.75 2kv1A13 LEU 30 HD23 -0.02 -0.03 -0.25 -0.04 0.89 0.55 2kv1A13 PHE 31 H 0.04 0.25 0.14 -0.55 8.34 8.22 2kv1A13 PHE 31 HA -0.01 -0.06 0.29 -0.75 4.62 4.08 2kv1A13 PHE 31 HB2 0.08 0.02 0.08 -0.04 3.15 3.29 2kv1A13 PHE 31 HB3 0.03 0.07 -0.01 -0.04 3.06 3.11 2kv1A13 PHE 31 HD2 -0.06 0.04 -0.05 -0.04 7.28 7.16 2kv1A13 PHE 31 HE2 -0.31 0.01 -0.07 -0.04 7.38 6.96 2kv1A13 PHE 31 HZ -0.37 0.09 -0.15 -0.04 7.32 6.85 2kv1A13 SER 32 H -0.45 0.06 0.07 -0.55 8.46 7.60 2kv1A13 SER 32 HA 0.04 0.25 0.84 -0.75 4.49 4.86 2kv1A13 SER 32 HB2 -0.01 0.04 0.02 -0.04 3.95 3.96 2kv1A13 SER 32 HB3 -0.05 0.01 0.03 -0.04 3.93 3.88 2kv1A13 SER 33 H 0.00 0.13 0.16 -0.55 8.46 8.21 2kv1A13 SER 33 HA 0.09 0.16 0.54 -0.75 4.49 4.53 2kv1A13 SER 33 HB2 -0.07 0.09 0.06 -0.04 3.95 3.98 2kv1A13 SER 33 HB3 -0.02 0.04 0.14 -0.04 3.93 4.04 2kv1A13 HIS 34 H -0.05 0.04 -0.03 -0.55 8.41 7.81 2kv1A13 HIS 34 HA 0.06 0.13 0.26 -0.75 4.63 4.32 2kv1A13 HIS 34 HB2 -0.02 0.00 0.03 -0.04 3.26 3.24 2kv1A13 HIS 34 HB3 0.01 0.06 0.05 -0.04 3.20 3.28 2kv1A13 HIS 34 HD2 0.01 -0.01 0.07 -0.04 6.97 6.99 2kv1A13 HIS 34 HE1 0.03 0.02 0.01 -0.04 7.75 7.76 2kv1A13 SER 35 H -0.01 0.09 -0.77 -0.55 8.46 7.22 2kv1A13 SER 35 HA 0.04 -0.04 0.12 -0.75 4.49 3.85 2kv1A13 SER 35 HB2 -0.91 0.07 0.01 -0.04 3.95 3.08 2kv1A13 SER 35 HB3 -0.36 -0.13 -0.42 -0.04 3.93 2.98 2kv1A13 LYS 36 H 0.22 0.49 -0.19 -0.55 8.42 8.39 2kv1A13 LYS 36 HA 0.42 -0.07 0.96 -0.75 4.32 4.87 2kv1A13 LYS 36 HB2 0.17 0.11 0.15 -0.04 1.87 2.25 2kv1A13 LYS 36 HB3 0.55 -0.03 -0.01 -0.04 1.79 2.25 2kv1A13 LYS 36 HG2 0.38 0.03 0.09 -0.04 1.46 1.92 2kv1A13 LYS 36 HG3 0.18 0.03 -0.06 -0.04 1.46 1.56 2kv1A13 LYS 36 HD2 0.14 -0.06 -0.02 -0.04 1.69 1.71 2kv1A13 LYS 36 HD3 0.09 0.05 -0.03 -0.04 1.68 1.75 2kv1A13 LYS 36 HE2 0.09 0.00 -0.01 -0.04 2.99 3.03 2kv1A13 LYS 36 HE3 -0.01 -0.02 -0.06 -0.04 2.99 2.87 2kv1A13 TYR 37 H -0.18 0.13 0.24 -0.55 8.29 7.94 2kv1A13 TYR 37 HA 0.12 0.18 0.76 -0.75 4.56 4.86 2kv1A13 TYR 37 HB2 0.10 -0.07 0.11 -0.04 3.06 3.16 2kv1A13 TYR 37 HB3 0.10 0.06 0.05 -0.04 2.98 3.16 2kv1A13 TYR 37 HD2 0.12 -0.11 -0.02 -0.04 7.15 7.10 2kv1A13 TYR 37 HE2 -0.02 0.04 -0.05 -0.04 6.85 6.77 2kv1A13 ALA 38 H 0.27 0.16 0.04 -0.55 8.40 8.32 2kv1A13 ALA 38 HA 0.01 0.17 0.81 -0.75 4.34 4.57 2kv1A13 ALA 38 HB3 0.06 0.02 0.04 -0.04 1.41 1.48 2kv1A13 HIS 39 H 0.20 0.29 0.03 -0.55 8.41 8.38 2kv1A13 HIS 39 HA 0.07 0.14 0.87 -0.75 4.63 4.95 2kv1A13 HIS 39 HB2 0.23 -0.07 -0.24 -0.04 3.26 3.14 2kv1A13 HIS 39 HB3 0.21 0.03 -0.14 -0.04 3.20 3.26 2kv1A13 HIS 39 HD2 0.06 -0.01 -0.05 -0.04 6.97 6.92 2kv1A13 HIS 39 HE1 0.01 0.01 -0.01 -0.04 7.75 7.71 2kv1A13 SER 40 H -0.06 0.16 0.09 -0.55 8.46 8.10 2kv1A13 SER 40 HA 0.03 0.11 0.58 -0.75 4.49 4.46 2kv1A13 SER 40 HB2 -0.03 -0.02 0.23 -0.04 3.95 4.09 2kv1A13 SER 40 HB3 -0.00 0.02 0.11 -0.04 3.93 4.02 2kv1A13 SER 41 H 0.08 0.38 0.19 -0.55 8.46 8.57 2kv1A13 SER 41 HA -0.02 0.11 0.68 -0.75 4.49 4.51 2kv1A13 SER 41 HB2 -0.04 0.05 0.04 -0.04 3.95 3.95 2kv1A13 SER 41 HB3 0.00 -0.04 -0.20 -0.04 3.93 3.65 2kv1A13 PRO 42 HA -0.36 0.11 0.54 -0.51 4.44 4.22 2kv1A13 PRO 42 HB2 -1.97 -0.04 0.10 -0.04 2.28 0.32 2kv1A13 PRO 42 HB3 -0.70 0.03 0.07 -0.04 2.02 1.38 2kv1A13 PRO 42 HG2 -0.52 0.05 -0.05 -0.04 2.03 1.47 2kv1A13 PRO 42 HG3 -0.42 0.03 0.03 -0.04 2.03 1.63 2kv1A13 PRO 42 HD2 -0.11 0.10 0.17 -0.04 3.68 3.80 2kv1A13 PRO 42 HD3 -0.18 0.13 0.11 -0.04 3.65 3.66 2kv1A13 TRP 43 H -0.57 0.04 0.09 -0.55 7.97 6.99 2kv1A13 TRP 43 HA -0.07 0.00 0.36 -0.75 4.62 4.16 2kv1A13 TRP 43 HB2 -0.08 0.12 -0.02 -0.04 3.23 3.21 2kv1A13 TRP 43 HB3 -0.09 0.01 0.03 -0.04 3.23 3.14 2kv1A13 TRP 43 HD1 -0.08 0.06 -0.17 -0.04 7.22 6.98 2kv1A13 TRP 43 HE1 -0.06 0.00 -0.04 -0.04 10.20 10.05 2kv1A13 TRP 43 HE3 -0.06 0.04 0.06 -0.04 7.59 7.58 2kv1A13 TRP 43 HZ2 -0.04 0.00 -0.01 -0.04 7.44 7.35 2kv1A13 TRP 43 HZ3 -0.05 0.00 0.02 -0.04 7.13 7.07 2kv1A13 TRP 43 HH2 -0.04 -0.00 0.00 -0.04 7.19 7.11 2kv1A13 PRO 44 HA -0.09 0.10 0.12 -0.51 4.44 4.06 2kv1A13 PRO 44 HB2 -0.14 0.01 -0.00 -0.04 2.28 2.11 2kv1A13 PRO 44 HB3 -0.12 0.03 0.07 -0.04 2.02 1.96 2kv1A13 PRO 44 HG2 -0.03 0.01 0.11 -0.04 2.03 2.08 2kv1A13 PRO 44 HG3 -0.04 0.02 0.08 -0.04 2.03 2.04 2kv1A13 PRO 44 HD2 0.09 0.05 0.18 -0.04 3.68 3.95 2kv1A13 PRO 44 HD3 -0.03 0.08 0.14 -0.04 3.65 3.79 2kv1A13 ALA 45 H -0.25 0.24 0.23 -0.55 8.40 8.07 2kv1A13 ALA 45 HA -0.27 0.02 0.63 -0.75 4.34 3.96 2kv1A13 ALA 45 HB3 -0.04 0.05 -0.19 -0.04 1.41 1.19 2kv1A13 PHE 46 H -0.35 0.67 0.40 -0.55 8.34 8.50 2kv1A13 PHE 46 HA 0.20 0.05 0.86 -0.75 4.62 4.98 2kv1A13 PHE 46 HB2 -0.53 -0.04 0.15 -0.04 3.15 2.69 2kv1A13 PHE 46 HB3 0.33 0.26 0.26 -0.04 3.06 3.86 2kv1A13 PHE 46 HD2 -0.10 -0.03 0.07 -0.04 7.28 7.18 2kv1A13 PHE 46 HE2 -0.09 -0.01 -0.04 -0.04 7.38 7.20 2kv1A13 PHE 46 HZ -0.27 -0.01 -0.06 -0.04 7.32 6.94 2kv1A13 THR 47 H 0.55 0.24 0.28 -0.55 8.28 8.79 2kv1A13 THR 47 HA 0.28 0.19 0.75 -0.75 4.39 4.86 2kv1A13 THR 47 HB 0.22 0.01 -0.07 -0.04 4.32 4.44 2kv1A13 THR 47 HG23 0.15 0.02 0.06 -0.04 1.22 1.41 2kv1A13 GLU 48 H 0.39 0.39 0.12 -0.55 8.60 8.95 2kv1A13 GLU 48 HA -0.05 0.08 0.58 -0.75 4.29 4.16 2kv1A13 GLU 48 HB2 0.10 0.09 -0.23 -0.04 2.09 2.00 2kv1A13 GLU 48 HB3 -0.01 0.02 0.01 -0.04 1.99 1.97 2kv1A13 GLU 48 HG2 0.03 0.22 -0.06 -0.04 2.34 2.49 2kv1A13 GLU 48 HG3 0.00 0.03 -0.10 -0.04 2.34 2.23 2kv1A13 THR 49 H -0.13 0.21 0.07 -0.55 8.28 7.88 2kv1A13 THR 49 HA -0.25 0.10 0.62 -0.75 4.39 4.11 2kv1A13 THR 49 HB -0.19 -0.11 0.03 -0.04 4.32 4.02 2kv1A13 THR 49 HG23 -0.42 0.03 -0.20 -0.04 1.22 0.58 2kv1A13 ILE 50 H -0.18 0.11 0.07 -0.55 8.25 7.69 2kv1A13 ILE 50 HA -0.07 0.06 0.50 -0.75 4.18 3.92 2kv1A13 ILE 50 HB -0.04 -0.06 0.04 -0.04 1.89 1.78 2kv1A13 ILE 50 HG12 -0.12 0.01 -0.14 -0.04 1.49 1.20 2kv1A13 ILE 50 HG13 -0.32 -0.14 0.01 -0.04 1.21 0.72 2kv1A13 ILE 50 HG23 0.01 0.03 -0.14 -0.04 0.93 0.79 2kv1A13 ILE 50 HD13 -0.15 0.04 -0.10 -0.04 0.88 0.64 2kv1A13 HIS 51 H 0.00 -0.03 -0.12 -0.55 8.41 7.71 2kv1A13 HIS 51 HA -0.06 0.11 0.12 -0.75 4.63 4.05 2kv1A13 HIS 51 HB2 -0.03 0.22 0.24 -0.04 3.26 3.64 2kv1A13 HIS 51 HB3 -0.01 -0.07 0.10 -0.04 3.20 3.18 2kv1A13 HIS 51 HD2 -0.02 -0.03 -0.18 -0.04 6.97 6.70 2kv1A13 HIS 51 HE1 -0.03 -0.01 -0.01 -0.04 7.75 7.67 2kv1A13 PRO 52 HA 0.04 0.09 0.59 -0.51 4.44 4.65 2kv1A13 PRO 52 HB2 -0.02 -0.04 0.02 -0.04 2.28 2.19 2kv1A13 PRO 52 HB3 -0.03 -0.01 0.06 -0.04 2.02 2.00 2kv1A13 PRO 52 HG2 -0.10 0.13 -0.06 -0.04 2.03 1.96 2kv1A13 PRO 52 HG3 -0.12 0.03 -0.03 -0.04 2.03 1.86 2kv1A13 PRO 52 HD2 -0.15 0.22 0.04 -0.04 3.68 3.74 2kv1A13 PRO 52 HD3 -0.10 -0.11 0.03 -0.04 3.65 3.43 2kv1A13 ASP 53 H 0.03 0.01 0.18 -0.55 8.40 8.08 2kv1A13 ASP 53 HA 0.04 0.29 0.46 -0.75 4.63 4.68 2kv1A13 ASP 53 HB2 0.04 0.09 -0.03 -0.04 2.71 2.77 2kv1A13 ASP 53 HB3 0.07 0.12 -0.07 -0.04 2.70 2.77 2kv1A13 SER 54 H 0.02 -0.05 0.19 -0.55 8.46 8.07 2kv1A13 SER 54 HA 0.00 0.27 0.70 -0.75 4.49 4.72 2kv1A13 SER 54 HB2 0.01 -0.11 0.08 -0.04 3.95 3.90 2kv1A13 SER 54 HB3 0.01 0.02 -0.12 -0.04 3.93 3.80 2kv1A13 VAL 55 H -0.00 -0.01 -0.11 -0.55 8.24 7.57 2kv1A13 VAL 55 HA -0.01 -0.20 0.74 -0.75 4.13 3.92 2kv1A13 VAL 55 HB -0.02 0.18 0.21 -0.04 2.12 2.45 2kv1A13 VAL 55 HG13 0.00 -0.08 0.08 -0.04 0.97 0.93 2kv1A13 VAL 55 HG23 -0.05 0.02 -0.28 -0.04 0.95 0.60 2kv1A13 THR 56 H -0.02 0.42 0.35 -0.55 8.28 8.48 2kv1A13 THR 56 HA -0.03 0.14 0.41 -0.75 4.39 4.16 2kv1A13 THR 56 HB -0.02 0.17 -0.18 -0.04 4.32 4.25 2kv1A13 THR 56 HG23 -0.02 -0.03 -0.13 -0.04 1.22 1.01 2kv1A13 LYS 57 H -0.04 0.29 0.19 -0.55 8.42 8.31 2kv1A13 LYS 57 HA -0.04 -0.03 0.74 -0.75 4.32 4.23 2kv1A13 LYS 57 HB2 -0.03 0.20 0.09 -0.04 1.87 2.08 2kv1A13 LYS 57 HB3 -0.04 -0.10 0.12 -0.04 1.79 1.72 2kv1A13 LYS 57 HG2 -0.06 0.01 -0.13 -0.04 1.46 1.25 2kv1A13 LYS 57 HG3 -0.06 -0.09 -0.16 -0.04 1.46 1.11 2kv1A13 LYS 57 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.59 2kv1A13 LYS 57 HD3 -0.04 0.05 -0.21 -0.04 1.68 1.45 2kv1A13 LYS 57 HE2 -0.05 0.01 -0.11 -0.04 2.99 2.80 2kv1A13 LYS 57 HE3 -0.06 -0.02 -0.08 -0.04 2.99 2.79 2kv1A13 CYS 58 H -0.04 0.69 0.27 -0.55 8.50 8.87 2kv1A13 CYS 58 HA -0.02 0.18 0.87 -0.75 4.58 4.86 2kv1A13 CYS 58 HB2 -0.02 0.11 0.01 -0.04 2.97 3.03 2kv1A13 CYS 58 HB3 -0.02 0.02 -0.18 -0.04 2.97 2.74 2kv1A13 PRO 59 HA 0.01 0.05 0.65 -0.51 4.44 4.64 2kv1A13 PRO 59 HB2 0.00 0.26 0.06 -0.04 2.28 2.56 2kv1A13 PRO 59 HB3 -0.01 0.00 0.11 -0.04 2.02 2.09 2kv1A13 PRO 59 HG2 -0.00 0.03 0.01 -0.04 2.03 2.03 2kv1A13 PRO 59 HG3 -0.01 0.04 0.07 -0.04 2.03 2.08 2kv1A13 PRO 59 HD2 -0.01 0.08 0.22 -0.04 3.68 3.93 2kv1A13 PRO 59 HD3 -0.01 0.14 0.21 -0.04 3.65 3.95 2kv1A13 GLU 60 H 0.04 0.39 0.35 -0.55 8.60 8.83 2kv1A13 GLU 60 HA 0.03 0.10 0.82 -0.75 4.29 4.50 2kv1A13 GLU 60 HB2 0.05 0.33 0.22 -0.04 2.09 2.65 2kv1A13 GLU 60 HB3 0.04 -0.27 0.09 -0.04 1.99 1.81 2kv1A13 GLU 60 HG2 0.11 0.01 0.02 -0.04 2.34 2.43 2kv1A13 GLU 60 HG3 0.09 0.03 0.04 -0.04 2.34 2.46 2kv1A13 LYS 61 H 0.02 0.11 0.15 -0.55 8.42 8.15 2kv1A13 LYS 61 HA 0.01 0.24 0.44 -0.75 4.32 4.26 2kv1A13 LYS 61 HB2 0.01 0.03 -0.05 -0.04 1.87 1.82 2kv1A13 LYS 61 HB3 0.01 0.07 0.02 -0.04 1.79 1.84 2kv1A13 LYS 61 HG2 0.02 -0.11 0.13 -0.04 1.46 1.47 2kv1A13 LYS 61 HG3 0.01 0.03 0.02 -0.04 1.46 1.48 2kv1A13 LYS 61 HD2 0.01 0.01 -0.02 -0.04 1.69 1.64 2kv1A13 LYS 61 HD3 0.01 0.08 -0.15 -0.04 1.68 1.58 2kv1A13 LYS 61 HE2 0.02 -0.10 0.09 -0.04 2.99 2.96 2kv1A13 LYS 61 HE3 0.01 -0.03 0.01 -0.04 2.99 2.95 2kv1A13 ASN 62 H 0.02 -0.02 0.10 -0.55 8.53 8.09 2kv1A13 ASN 62 HA 0.01 0.22 0.60 -0.75 4.76 4.83 2kv1A13 ASN 62 HB2 0.01 0.03 0.16 -0.04 2.88 3.04 2kv1A13 ASN 62 HB3 0.01 0.07 0.04 -0.04 2.79 2.87 2kv1A13 ASN 62 HD21 0.01 0.03 -0.12 -0.04 7.03 6.91 2kv1A13 ASN 62 HD22 0.01 0.04 -0.02 -0.04 7.74 7.73 2kv1A13 ARG 63 H 0.02 0.02 -0.36 -0.55 8.46 7.59 2kv1A13 ARG 63 HA 0.02 0.26 0.65 -0.75 4.34 4.51 2kv1A13 ARG 63 HB2 0.05 -0.05 0.18 -0.04 1.90 2.03 2kv1A13 ARG 63 HB3 0.04 0.05 0.09 -0.04 1.80 1.94 2kv1A13 ARG 63 HG2 0.02 0.21 -0.20 -0.04 1.67 1.66 2kv1A13 ARG 63 HG3 0.03 -0.15 -0.20 -0.04 1.67 1.31 2kv1A13 ARG 63 HD2 0.04 -0.02 -0.02 -0.04 3.22 3.18 2kv1A13 ARG 63 HD3 0.02 0.04 -0.01 -0.04 3.22 3.22 2kv1A13 PRO 64 HA 0.01 0.15 0.27 -0.51 4.44 4.37 2kv1A13 PRO 64 HB2 0.00 0.04 0.17 -0.04 2.28 2.46 2kv1A13 PRO 64 HB3 0.01 0.05 0.02 -0.04 2.02 2.06 2kv1A13 PRO 64 HG2 0.01 0.04 -0.04 -0.04 2.03 2.00 2kv1A13 PRO 64 HG3 0.01 0.05 -0.02 -0.04 2.03 2.02 2kv1A13 PRO 64 HD2 0.02 0.14 -0.07 -0.04 3.68 3.73 2kv1A13 PRO 64 HD3 0.01 0.08 -0.31 -0.04 3.65 3.39 2kv1A13 GLU 65 H 0.04 0.53 -0.22 -0.55 8.60 8.41 2kv1A13 GLU 65 HA 0.01 0.19 0.80 -0.75 4.29 4.53 2kv1A13 GLU 65 HB2 0.12 -0.01 -0.09 -0.04 2.09 2.07 2kv1A13 GLU 65 HB3 0.13 0.01 0.07 -0.04 1.99 2.16 2kv1A13 GLU 65 HG2 0.03 0.15 -0.55 -0.04 2.34 1.94 2kv1A13 GLU 65 HG3 0.04 -0.09 -0.37 -0.04 2.34 1.88 2kv1A13 ALA 66 H 0.05 0.28 0.28 -0.55 8.40 8.46 2kv1A13 ALA 66 HA 0.05 0.08 0.72 -0.75 4.34 4.43 2kv1A13 ALA 66 HB3 0.23 0.02 -0.05 -0.04 1.41 1.58 2kv1A13 LEU 67 H 0.10 0.69 0.40 -0.55 8.37 9.01 2kv1A13 LEU 67 HA 0.03 0.06 0.98 -0.75 4.35 4.66 2kv1A13 LEU 67 HB2 0.03 -0.03 0.08 -0.04 1.64 1.68 2kv1A13 LEU 67 HB3 -0.00 0.11 -0.05 -0.04 1.64 1.66 2kv1A13 LEU 67 HG -0.02 -0.02 -0.12 -0.04 1.64 1.43 2kv1A13 LEU 67 HD13 -0.01 0.02 -0.18 -0.04 0.93 0.72 2kv1A13 LEU 67 HD23 -0.04 -0.04 -0.10 -0.04 0.89 0.67 2kv1A13 LYS 68 H -0.03 0.62 0.35 -0.55 8.42 8.80 2kv1A13 LYS 68 HA -0.45 0.13 0.98 -0.75 4.32 4.23 2kv1A13 LYS 68 HB2 -0.14 -0.04 -0.01 -0.04 1.87 1.64 2kv1A13 LYS 68 HB3 -0.43 0.07 0.07 -0.04 1.79 1.46 2kv1A13 LYS 68 HG2 -0.14 -0.02 -0.07 -0.04 1.46 1.18 2kv1A13 LYS 68 HG3 -0.03 0.06 -0.07 -0.04 1.46 1.38 2kv1A13 LYS 68 HD2 -0.04 0.01 -0.08 -0.04 1.69 1.55 2kv1A13 LYS 68 HD3 -0.10 0.03 -0.04 -0.04 1.68 1.53 2kv1A13 LYS 68 HE2 0.08 -0.05 -0.05 -0.04 2.99 2.93 2kv1A13 LYS 68 HE3 0.06 -0.01 -0.02 -0.04 2.99 2.98 2kv1A13 VAL 69 H -0.12 0.81 0.07 -0.55 8.24 8.45 2kv1A13 VAL 69 HA -0.04 0.10 0.97 -0.75 4.13 4.41 2kv1A13 VAL 69 HB 0.05 -0.10 -0.19 -0.04 2.12 1.85 2kv1A13 VAL 69 HG13 -0.05 0.01 -0.17 -0.04 0.97 0.73 2kv1A13 VAL 69 HG23 0.01 0.01 -0.40 -0.04 0.95 0.53 2kv1A13 SER 70 H -0.02 0.77 0.37 -0.55 8.46 9.03 2kv1A13 SER 70 HA 0.01 -0.07 0.86 -0.75 4.49 4.53 2kv1A13 SER 70 HB2 -0.00 0.07 -0.29 -0.04 3.95 3.69 2kv1A13 SER 70 HB3 -0.01 0.04 0.05 -0.04 3.93 3.97 2kv1A13 CYS 71 H 0.02 0.13 -0.09 -0.55 8.50 8.02 2kv1A13 CYS 71 HA 0.01 0.15 0.93 -0.75 4.58 4.92 2kv1A13 CYS 71 HB2 0.05 0.11 0.11 -0.04 2.97 3.19 2kv1A13 CYS 71 HB3 0.04 0.00 0.23 -0.04 2.97 3.20 2kv1A13 GLY 72 H -0.00 0.36 0.02 -0.55 8.43 8.26 2kv1A13 GLY 72 HA2 0.00 0.12 0.61 -0.51 4.01 4.23 2kv1A13 GLY 72 HA3 -0.00 0.22 0.33 -0.51 4.01 4.05 2kv1A13 LYS 73 H 0.01 -0.18 -0.43 -0.55 8.42 7.27 2kv1A13 LYS 73 HA 0.01 0.14 0.41 -0.75 4.32 4.13 2kv1A13 LYS 73 HB2 0.03 -0.13 0.06 -0.04 1.87 1.78 2kv1A13 LYS 73 HB3 0.03 0.06 -0.05 -0.04 1.79 1.78 2kv1A13 LYS 73 HG2 0.02 0.13 0.04 -0.04 1.46 1.61 2kv1A13 LYS 73 HG3 0.02 -0.21 0.02 -0.04 1.46 1.26 2kv1A13 LYS 73 HD2 0.06 -0.06 0.01 -0.04 1.69 1.66 2kv1A13 LYS 73 HD3 0.03 0.11 -0.02 -0.04 1.68 1.76 2kv1A13 LYS 73 HE2 0.06 -0.16 0.06 -0.04 2.99 2.90 2kv1A13 LYS 73 HE3 0.09 0.05 0.01 -0.04 2.99 3.09 2kv1A13 CYS 74 H 0.02 -0.11 -0.11 -0.55 8.50 7.75 2kv1A13 CYS 74 HA 0.02 0.24 0.56 -0.75 4.58 4.64 2kv1A13 CYS 74 HB2 0.03 0.13 -0.08 -0.04 2.97 3.01 2kv1A13 CYS 74 HB3 0.03 -0.02 -0.17 -0.04 2.97 2.77 2kv1A13 GLY 75 H 0.02 0.12 0.04 -0.55 8.43 8.05 2kv1A13 GLY 75 HA2 0.01 0.04 0.33 -0.51 4.01 3.87 2kv1A13 GLY 75 HA3 0.01 0.14 0.46 -0.51 4.01 4.11 2kv1A13 ASN 76 H 0.01 0.33 0.19 -0.55 8.53 8.51 2kv1A13 ASN 76 HA 0.00 0.30 0.65 -0.75 4.76 4.95 2kv1A13 ASN 76 HB2 0.02 0.08 -0.03 -0.04 2.88 2.91 2kv1A13 ASN 76 HB3 0.03 -0.19 0.18 -0.04 2.79 2.77 2kv1A13 ASN 76 HD21 0.05 -0.02 0.06 -0.04 7.03 7.07 2kv1A13 ASN 76 HD22 0.01 0.04 0.01 -0.04 7.74 7.76 2kv1A13 GLY 77 H -0.00 0.10 0.07 -0.55 8.43 8.05 2kv1A13 GLY 77 HA2 -0.00 -0.05 0.46 -0.51 4.01 3.91 2kv1A13 GLY 77 HA3 -0.01 0.22 0.61 -0.51 4.01 4.32 2kv1A13 LEU 78 H 0.03 -0.04 0.37 -0.55 8.37 8.18 2kv1A13 LEU 78 HA 0.03 0.21 0.81 -0.75 4.35 4.65 2kv1A13 LEU 78 HB2 -0.33 0.05 0.13 -0.04 1.64 1.45 2kv1A13 LEU 78 HB3 -0.12 0.05 -0.21 -0.04 1.64 1.32 2kv1A13 LEU 78 HG 0.22 -0.09 -0.06 -0.04 1.64 1.67 2kv1A13 LEU 78 HD13 -0.17 0.01 0.01 -0.04 0.93 0.74 2kv1A13 LEU 78 HD23 0.08 -0.07 0.16 -0.04 0.89 1.02 2kv1A13 GLY 79 H 0.11 0.02 0.41 -0.55 8.43 8.42 2kv1A13 GLY 79 HA2 0.37 0.12 0.90 -0.51 4.01 4.88 2kv1A13 GLY 79 HA3 0.23 -0.02 0.49 -0.51 4.01 4.20 2kv1A13 HIS 80 H 0.32 0.75 0.49 -0.55 8.41 9.42 2kv1A13 HIS 80 HA 0.12 0.05 0.93 -0.75 4.63 4.98 2kv1A13 HIS 80 HB2 0.11 0.00 0.11 -0.04 3.26 3.44 2kv1A13 HIS 80 HB3 0.11 0.05 0.06 -0.04 3.20 3.38 2kv1A13 HIS 80 HD2 0.08 0.03 -0.15 -0.04 6.97 6.88 2kv1A13 HIS 80 HE1 0.13 -0.01 -0.02 -0.04 7.75 7.81 2kv1A13 GLU 81 H 0.20 0.85 0.24 -0.55 8.60 9.34 2kv1A13 GLU 81 HA 0.28 0.12 0.79 -0.75 4.29 4.72 2kv1A13 GLU 81 HB2 0.13 -0.03 -0.26 -0.04 2.09 1.90 2kv1A13 GLU 81 HB3 0.07 -0.01 -0.03 -0.04 1.99 1.98 2kv1A13 GLU 81 HG2 0.05 -0.06 -0.39 -0.04 2.34 1.90 2kv1A13 GLU 81 HG3 0.13 0.08 -0.23 -0.04 2.34 2.28 2kv1A13 PHE 82 H 0.27 0.61 0.21 -0.55 8.34 8.88 2kv1A13 PHE 82 HA 0.05 0.07 1.08 -0.75 4.62 5.07 2kv1A13 PHE 82 HB2 0.02 -0.03 0.15 -0.04 3.15 3.26 2kv1A13 PHE 82 HB3 0.03 0.10 0.27 -0.04 3.06 3.42 2kv1A13 PHE 82 HD2 0.00 -0.04 0.01 -0.04 7.28 7.21 2kv1A13 PHE 82 HE2 -0.01 0.08 -0.03 -0.04 7.38 7.38 2kv1A13 PHE 82 HZ -0.02 -0.02 -0.09 -0.04 7.32 7.15 2kv1A13 LEU 83 H -0.21 0.35 0.04 -0.55 8.37 8.01 2kv1A13 LEU 83 HA -0.21 0.13 0.60 -0.75 4.35 4.11 2kv1A13 LEU 83 HB2 0.02 0.01 -0.45 -0.04 1.64 1.17 2kv1A13 LEU 83 HB3 -0.04 0.02 -0.15 -0.04 1.64 1.43 2kv1A13 LEU 83 HG -0.03 -0.01 0.14 -0.04 1.64 1.71 2kv1A13 LEU 83 HD13 0.06 0.01 -0.13 -0.04 0.93 0.83 2kv1A13 LEU 83 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.78 2kv1A13 ASN 84 H -0.12 0.22 0.11 -0.55 8.53 8.19 2kv1A13 ASN 84 HA -0.09 0.06 0.27 -0.75 4.76 4.26 2kv1A13 ASN 84 HB2 -0.09 0.14 0.04 -0.04 2.88 2.94 2kv1A13 ASN 84 HB3 -0.06 0.02 0.12 -0.04 2.79 2.82 2kv1A13 ASN 84 HD21 -0.07 0.18 -0.46 -0.04 7.03 6.64 2kv1A13 ASN 84 HD22 -0.05 0.00 -0.19 -0.04 7.74 7.45 2kv1A13 ASP 85 H -0.33 0.01 -0.71 -0.55 8.40 6.82 2kv1A13 ASP 85 HA -0.12 0.20 0.74 -0.75 4.63 4.70 2kv1A13 ASP 85 HB2 -0.30 0.04 -0.15 -0.04 2.71 2.26 2kv1A13 ASP 85 HB3 -0.68 -0.00 -0.09 -0.04 2.70 1.89 2kv1A13 GLY 86 H -0.18 -0.03 -0.09 -0.55 8.43 7.59 2kv1A13 GLY 86 HA2 0.04 0.05 0.60 -0.51 4.01 4.19 2kv1A13 GLY 86 HA3 0.02 0.21 0.31 -0.51 4.01 4.03 2kv1A13 PRO 87 HA -0.01 0.16 0.62 -0.51 4.44 4.71 2kv1A13 PRO 87 HB2 -0.00 0.01 -0.00 -0.04 2.28 2.25 2kv1A13 PRO 87 HB3 -0.01 0.02 -0.02 -0.04 2.02 1.96 2kv1A13 PRO 87 HG2 0.01 -0.02 0.00 -0.04 2.03 1.97 2kv1A13 PRO 87 HG3 -0.01 0.05 -0.02 -0.04 2.03 2.02 2kv1A13 PRO 87 HD2 0.01 0.11 0.30 -0.04 3.68 4.05 2kv1A13 PRO 87 HD3 -0.02 0.15 -0.43 -0.04 3.65 3.31 2kv1A13 LYS 88 H 0.02 0.05 -0.01 -0.55 8.42 7.93 2kv1A13 LYS 88 HA 0.01 0.17 0.79 -0.75 4.32 4.53 2kv1A13 LYS 88 HB2 0.03 -0.08 0.18 -0.04 1.87 1.96 2kv1A13 LYS 88 HB3 0.02 0.01 0.04 -0.04 1.79 1.81 2kv1A13 LYS 88 HG2 0.01 0.06 -0.05 -0.04 1.46 1.44 2kv1A13 LYS 88 HG3 0.01 -0.01 -0.05 -0.04 1.46 1.37 2kv1A13 LYS 88 HD2 0.01 0.01 -0.01 -0.04 1.69 1.66 2kv1A13 LYS 88 HD3 0.01 -0.00 0.02 -0.04 1.68 1.67 2kv1A13 LYS 88 HE2 0.01 -0.02 -0.00 -0.04 2.99 2.94 2kv1A13 LYS 88 HE3 0.01 0.02 -0.00 -0.04 2.99 2.97 2kv1A13 ARG 89 H 0.04 0.02 0.08 -0.55 8.46 8.05 2kv1A13 ARG 89 HA 0.02 0.07 0.39 -0.75 4.34 4.06 2kv1A13 ARG 89 HB2 0.07 0.04 0.09 -0.04 1.90 2.06 2kv1A13 ARG 89 HB3 0.03 -0.08 0.03 -0.04 1.80 1.74 2kv1A13 ARG 89 HG2 0.01 0.03 0.03 -0.04 1.67 1.71 2kv1A13 ARG 89 HG3 0.02 0.03 0.05 -0.04 1.67 1.72 2kv1A13 ARG 89 HD2 0.03 -0.12 0.07 -0.04 3.22 3.16 2kv1A13 ARG 89 HD3 0.03 0.04 0.05 -0.04 3.22 3.30 2kv1A13 GLY 90 H -0.00 0.10 0.12 -0.55 8.43 8.10 2kv1A13 GLY 90 HA2 -0.02 0.19 0.27 -0.51 4.01 3.93 2kv1A13 GLY 90 HA3 -0.06 -0.00 0.28 -0.51 4.01 3.73 2kv1A13 GLN 91 H 0.04 -0.05 -0.57 -0.55 8.47 7.35 2kv1A13 GLN 91 HA 0.00 0.07 0.46 -0.75 4.36 4.14 2kv1A13 GLN 91 HB2 0.24 -0.03 0.03 -0.04 2.15 2.35 2kv1A13 GLN 91 HB3 0.11 0.06 -0.08 -0.04 2.02 2.07 2kv1A13 GLN 91 HG2 -0.01 0.09 -0.07 -0.04 2.40 2.37 2kv1A13 GLN 91 HG3 0.01 -0.14 -0.06 -0.04 2.39 2.16 2kv1A13 GLN 91 HE21 -0.34 0.05 -0.05 -0.04 6.97 6.60 2kv1A13 GLN 91 HE22 -0.35 -0.01 -0.03 -0.04 7.69 7.26 2kv1A13 SER 92 H 0.02 0.23 0.05 -0.55 8.46 8.21 2kv1A13 SER 92 HA 0.08 0.15 0.67 -0.75 4.49 4.64 2kv1A13 SER 92 HB2 0.02 -0.04 0.14 -0.04 3.95 4.03 2kv1A13 SER 92 HB3 -0.01 0.02 0.10 -0.04 3.93 4.00 2kv1A13 ARG 93 H 0.20 0.64 0.31 -0.55 8.46 9.05 2kv1A13 ARG 93 HA 0.22 0.21 0.79 -0.75 4.34 4.81 2kv1A13 ARG 93 HB2 0.08 0.06 -0.12 -0.04 1.90 1.88 2kv1A13 ARG 93 HB3 0.01 0.08 -0.16 -0.04 1.80 1.69 2kv1A13 ARG 93 HG2 0.11 -0.11 -0.07 -0.04 1.67 1.56 2kv1A13 ARG 93 HG3 0.04 0.04 -0.16 -0.04 1.67 1.56 2kv1A13 ARG 93 HD2 -0.15 -0.03 -0.17 -0.04 3.22 2.82 2kv1A13 ARG 93 HD3 -0.03 -0.06 -0.10 -0.04 3.22 2.99 2kv1A13 PHE 94 H 0.35 0.69 0.34 -0.55 8.34 9.17 2kv1A13 PHE 94 HA 0.13 0.08 1.09 -0.75 4.62 5.17 2kv1A13 PHE 94 HB2 0.10 0.08 0.06 -0.04 3.15 3.35 2kv1A13 PHE 94 HB3 0.09 -0.02 -0.03 -0.04 3.06 3.05 2kv1A13 PHE 94 HD2 0.12 0.12 -0.37 -0.04 7.28 7.11 2kv1A13 PHE 94 HE2 0.12 0.05 -0.14 -0.04 7.38 7.36 2kv1A13 PHE 94 HZ 0.03 -0.00 -0.07 -0.04 7.32 7.23 2kv1A13 CYS 95 H 0.19 0.74 0.45 -0.55 8.50 9.33 2kv1A13 CYS 95 HA -0.22 0.07 0.71 -0.75 4.58 4.39 2kv1A13 CYS 95 HB2 -0.07 0.10 -0.07 -0.04 2.97 2.89 2kv1A13 CYS 95 HB3 -0.01 -0.05 0.07 -0.04 2.97 2.94 2kv1A13 ILE 96 H 0.06 0.30 0.21 -0.55 8.25 8.26 2kv1A13 ILE 96 HA 0.25 0.07 0.98 -0.75 4.18 4.73 2kv1A13 ILE 96 HB 0.20 0.08 -0.02 -0.04 1.89 2.11 2kv1A13 ILE 96 HG12 0.32 0.02 -0.19 -0.04 1.49 1.60 2kv1A13 ILE 96 HG13 0.39 0.01 -0.34 -0.04 1.21 1.23 2kv1A13 ILE 96 HG23 0.23 0.01 0.03 -0.04 0.93 1.16 2kv1A13 ILE 96 HD13 0.26 -0.00 -0.12 -0.04 0.88 0.97 2kv1A13 PHE 97 H 0.49 0.08 0.12 -0.55 8.34 8.47 2kv1A13 PHE 97 HA 0.08 0.11 0.52 -0.75 4.62 4.58 2kv1A13 PHE 97 HB2 0.09 -0.06 0.15 -0.04 3.15 3.29 2kv1A13 PHE 97 HB3 0.07 -0.11 0.01 -0.04 3.06 2.99 2kv1A13 PHE 97 HD2 0.09 -0.05 -0.01 -0.04 7.28 7.27 2kv1A13 PHE 97 HE2 0.08 0.11 0.06 -0.04 7.38 7.58 2kv1A13 PHE 97 HZ 0.04 0.03 0.03 -0.04 7.32 7.38 2kv1A13 SER 98 H 0.12 0.19 0.24 -0.55 8.46 8.47 2kv1A13 SER 98 HA 0.16 0.24 0.43 -0.75 4.49 4.57 2kv1A13 SER 98 HB2 0.09 0.06 0.09 -0.04 3.95 4.15 2kv1A13 SER 98 HB3 0.08 0.05 0.19 -0.04 3.93 4.21 2kv1A13 SER 99 H 0.23 0.00 -0.29 -0.55 8.46 7.85 2kv1A13 SER 99 HA 0.10 0.15 0.54 -0.75 4.49 4.52 2kv1A13 SER 99 HB2 0.11 0.01 0.07 -0.04 3.95 4.10 2kv1A13 SER 99 HB3 0.11 -0.06 0.03 -0.04 3.93 3.97 2kv1A13 SER 100 H 0.18 0.33 -0.11 -0.55 8.46 8.32 2kv1A13 SER 100 HA 0.09 0.11 0.48 -0.75 4.49 4.41 2kv1A13 SER 100 HB2 0.11 -0.05 0.09 -0.04 3.95 4.05 2kv1A13 SER 100 HB3 0.17 0.11 0.06 -0.04 3.93 4.22 2kv1A13 LEU 101 H 0.18 0.36 -0.05 -0.55 8.37 8.32 2kv1A13 LEU 101 HA 0.15 0.03 0.31 -0.75 4.35 4.09 2kv1A13 LEU 101 HB2 0.32 0.20 0.10 -0.04 1.64 2.22 2kv1A13 LEU 101 HB3 0.17 -0.19 0.52 -0.04 1.64 2.10 2kv1A13 LEU 101 HG 0.16 -0.13 -0.43 -0.04 1.64 1.21 2kv1A13 LEU 101 HD13 0.22 0.02 -0.15 -0.04 0.93 0.98 2kv1A13 LEU 101 HD23 0.12 -0.02 -0.08 -0.04 0.89 0.86 2kv1A13 LYS 102 H 0.16 0.37 0.21 -0.55 8.42 8.60 2kv1A13 LYS 102 HA 0.09 0.14 0.88 -0.75 4.32 4.68 2kv1A13 LYS 102 HB2 -0.04 0.11 -0.14 -0.04 1.87 1.76 2kv1A13 LYS 102 HB3 0.04 0.08 -0.02 -0.04 1.79 1.85 2kv1A13 LYS 102 HG2 0.06 -0.01 -0.13 -0.04 1.46 1.34 2kv1A13 LYS 102 HG3 0.02 -0.03 -0.06 -0.04 1.46 1.35 2kv1A13 LYS 102 HD2 0.01 0.03 -0.07 -0.04 1.69 1.61 2kv1A13 LYS 102 HD3 0.02 0.01 -0.10 -0.04 1.68 1.56 2kv1A13 LYS 102 HE2 -0.04 -0.04 -0.16 -0.04 2.99 2.71 2kv1A13 LYS 102 HE3 -0.06 0.07 -0.26 -0.04 2.99 2.69 2kv1A13 PHE 103 H -0.09 0.20 0.21 -0.55 8.34 8.10 2kv1A13 PHE 103 HA -0.84 0.25 0.90 -0.75 4.62 4.18 2kv1A13 PHE 103 HB2 -0.86 -0.03 0.02 -0.04 3.15 2.24 2kv1A13 PHE 103 HB3 -0.27 -0.02 0.13 -0.04 3.06 2.85 2kv1A13 PHE 103 HD2 -0.36 -0.02 -0.20 -0.04 7.28 6.66 2kv1A13 PHE 103 HE2 -0.15 0.09 -0.29 -0.04 7.38 6.98 2kv1A13 PHE 103 HZ -0.09 -0.07 -0.10 -0.04 7.32 7.02 2kv1A13 VAL 104 H -0.83 0.78 0.26 -0.55 8.24 7.91 2kv1A13 VAL 104 HA -0.34 0.19 0.83 -0.75 4.13 4.05 2kv1A13 VAL 104 HB -0.21 -0.01 -0.20 -0.04 2.12 1.67 2kv1A13 VAL 104 HG13 -0.23 -0.01 -0.12 -0.04 0.97 0.57 2kv1A13 VAL 104 HG23 -0.15 0.02 -0.09 -0.04 0.95 0.69 2kv1A13 PRO 105 HA -0.37 -0.06 0.70 -0.51 4.44 4.19 2kv1A13 PRO 105 HB2 -0.05 0.16 0.01 -0.04 2.28 2.35 2kv1A13 PRO 105 HB3 -0.01 -0.03 0.08 -0.04 2.02 2.03 2kv1A13 PRO 105 HG2 -0.08 0.08 0.00 -0.04 2.03 1.99 2kv1A13 PRO 105 HG3 -0.01 0.03 0.03 -0.04 2.03 2.04 2kv1A13 PRO 105 HD2 -0.18 0.10 0.20 -0.04 3.68 3.77 2kv1A13 PRO 105 HD3 -0.24 0.14 0.01 -0.04 3.65 3.51 2kv1A13 LYS 106 H -0.09 0.08 0.10 -0.55 8.42 7.95 2kv1A13 LYS 106 HA -0.08 0.04 0.39 -0.75 4.32 3.91 2kv1A13 LYS 106 HB2 -0.01 -0.00 0.01 -0.04 1.87 1.82 2kv1A13 LYS 106 HB3 -0.06 0.02 0.00 -0.04 1.79 1.71 2kv1A13 LYS 106 HG2 0.01 0.29 -0.13 -0.04 1.46 1.59 2kv1A13 LYS 106 HG3 -0.04 -0.14 -0.14 -0.04 1.46 1.10 2kv1A13 LYS 106 HD2 -0.01 -0.12 0.03 -0.04 1.69 1.54 2kv1A13 LYS 106 HD3 0.01 0.01 -0.20 -0.04 1.68 1.46 2kv1A13 LYS 106 HE2 0.04 -0.14 0.02 -0.04 2.99 2.87 2kv1A13 LYS 106 HE3 0.03 -0.05 -0.03 -0.04 2.99 2.90 2kv1A13 GLY 107 H -0.03 0.09 0.12 -0.55 8.43 8.07 2kv1A13 GLY 107 HA2 -0.01 -0.04 0.36 -0.51 4.01 3.81 2kv1A13 GLY 107 HA3 -0.00 0.11 0.35 -0.51 4.01 3.96 2kv1A13 LYS 108 H -0.02 0.03 0.05 -0.55 8.42 7.92 2kv1A13 LYS 108 HA -0.02 0.17 0.43 -0.75 4.32 4.14 2kv1A13 LYS 108 HB2 -0.03 -0.08 0.11 -0.04 1.87 1.83 2kv1A13 LYS 108 HB3 -0.02 0.03 -0.06 -0.04 1.79 1.70 2kv1A13 LYS 108 HG2 -0.04 -0.03 -0.02 -0.04 1.46 1.34 2kv1A13 LYS 108 HG3 -0.03 0.02 0.01 -0.04 1.46 1.41 2kv1A13 LYS 108 HD2 -0.05 0.06 -0.23 -0.04 1.69 1.43 2kv1A13 LYS 108 HD3 -0.06 -0.07 -0.08 -0.04 1.68 1.42 2kv1A13 LYS 108 HE2 -0.11 0.25 -0.00 -0.04 2.99 3.08 2kv1A13 LYS 108 HE3 -0.08 -0.09 -0.04 -0.04 2.99 2.74 2kv1A13 GLU 109 H -0.01 -0.06 -0.07 -0.55 8.60 7.91 2kv1A13 GLU 109 HA -0.00 0.04 0.23 -0.75 4.29 3.80 2kv1A13 GLU 109 HB2 -0.00 -0.11 0.09 -0.04 2.09 2.03 2kv1A13 GLU 109 HB3 0.00 0.00 0.05 -0.04 1.99 2.01 2kv1A13 GLU 109 HG2 0.01 0.09 -0.14 -0.04 2.34 2.25 2kv1A13 GLU 109 HG3 0.00 0.04 -0.06 -0.04 2.34 2.29 2kv1A13 ALA 110 H -0.00 -0.09 -0.15 -0.55 8.40 7.61 2kv1A13 ALA 110 HA -0.00 -0.10 0.31 -0.75 4.34 3.80 2kv1A13 ALA 110 HB3 -0.00 0.06 0.03 -0.04 1.41 1.45 2kv1A13 ALA 111 H 0.00 0.03 0.06 -0.55 8.40 7.94 2kv1A13 ALA 111 HA 0.01 0.04 0.24 -0.75 4.34 3.87 2kv1A13 ALA 111 HB3 0.00 0.03 0.19 -0.04 1.41 1.59 2kv1A13 ALA 112 H 0.01 0.04 0.05 -0.55 8.40 7.95 2kv1A13 ALA 112 HA 0.01 -0.04 0.27 -0.75 4.34 3.83 2kv1A13 ALA 112 HB3 0.01 0.05 0.01 -0.04 1.41 1.43 2kv1A13 SER 113 H 0.01 0.11 0.09 -0.55 8.46 8.13 2kv1A13 SER 113 HA 0.02 0.02 0.28 -0.75 4.49 4.05 2kv1A13 SER 113 HB2 0.01 0.16 -0.14 -0.04 3.95 3.95 2kv1A13 SER 113 HB3 0.02 -0.02 0.10 -0.04 3.93 3.99 2kv1A13 GLN 114 H 0.03 0.00 -0.14 -0.55 8.47 7.81 2kv1A13 GLN 114 HA 0.03 0.08 0.37 -0.75 4.36 4.08 2kv1A13 GLN 114 HB2 0.03 -0.10 0.07 -0.04 2.15 2.10 2kv1A13 GLN 114 HB3 0.04 0.06 0.08 -0.04 2.02 2.16 2kv1A13 GLN 114 HG2 0.02 -0.01 -0.01 -0.04 2.40 2.36 2kv1A13 GLN 114 HG3 0.03 0.07 -0.00 -0.04 2.39 2.44 2kv1A13 GLN 114 HE21 0.02 0.02 -0.02 -0.04 6.97 6.95 2kv1A13 GLN 114 HE22 0.01 -0.04 -0.02 -0.04 7.69 7.60 2kv1A13 GLY 115 H 0.03 0.17 0.25 -0.55 8.43 8.34 2kv1A13 GLY 115 HA2 0.04 0.04 0.42 -0.51 4.01 3.99 2kv1A13 GLY 115 HA3 0.00 0.02 0.34 -0.51 4.01 3.87 2kv1A13 HIS 116 H -0.18 0.19 0.19 -0.55 8.41 8.06 2kv1A13 HIS 116 HA 0.03 0.15 0.63 -0.75 4.63 4.68 2kv1A13 HIS 116 HB2 0.02 -0.03 0.12 -0.04 3.26 3.33 2kv1A13 HIS 116 HB3 0.02 0.11 -0.15 -0.04 3.20 3.13 2kv1A13 HIS 116 HD2 0.02 0.06 -0.29 -0.04 6.97 6.72 2kv1A13 HIS 116 HE1 0.01 -0.00 -0.04 -0.04 7.75 7.67 2kv1A13 LEU 117 H 0.18 0.18 0.15 -0.55 8.37 8.33 2kv1A13 LEU 117 HA 0.06 0.14 0.84 -0.75 4.35 4.64 2kv1A13 LEU 117 HB2 0.12 -0.02 0.09 -0.04 1.64 1.79 2kv1A13 LEU 117 HB3 0.15 0.06 -0.02 -0.04 1.64 1.79 2kv1A13 LEU 117 HG 0.08 -0.05 -0.16 -0.04 1.64 1.47 2kv1A13 LEU 117 HD13 0.08 0.01 -0.04 -0.04 0.93 0.95 2kv1A13 LEU 117 HD23 0.07 0.04 -0.11 -0.04 0.89 0.86 2kv1A13 GLU 118 H 0.10 0.21 0.20 -0.55 8.60 8.56 2kv1A13 GLU 118 HA 0.00 0.12 0.82 -0.75 4.29 4.47 2kv1A13 GLU 118 HB2 0.05 0.03 -0.00 -0.04 2.09 2.13 2kv1A13 GLU 118 HB3 0.08 0.03 -0.01 -0.04 1.99 2.06 2kv1A13 GLU 118 HG2 0.03 0.03 -0.07 -0.04 2.34 2.29 2kv1A13 GLU 118 HG3 0.00 -0.02 -0.22 -0.04 2.34 2.06 2kv1A13 HIS 119 H -0.10 0.07 0.12 -0.55 8.41 7.96 2kv1A13 HIS 119 HA 0.05 0.03 0.21 -0.75 4.63 4.17 2kv1A13 HIS 119 HB2 0.06 0.09 0.09 -0.04 3.26 3.46 2kv1A13 HIS 119 HB3 0.05 0.12 0.37 -0.04 3.20 3.70 2kv1A13 HIS 119 HD2 0.08 0.19 -0.16 -0.04 6.97 7.04 2kv1A13 HIS 119 HE1 0.05 0.01 -0.11 -0.04 7.75 7.65 2kv1A13 HIS 120 H -0.48 0.03 0.14 -0.55 8.41 7.56 2kv1A13 HIS 120 HA -0.12 0.01 0.37 -0.75 4.63 4.14 2kv1A13 HIS 120 HB2 -0.08 -0.10 -0.04 -0.04 3.26 3.01 2kv1A13 HIS 120 HB3 -0.04 0.13 0.15 -0.04 3.20 3.41 2kv1A13 HIS 120 HD2 -0.08 -0.03 0.06 -0.04 6.97 6.87 2kv1A13 HIS 120 HE1 -0.13 -0.00 0.09 -0.04 7.75 7.66 2kv1A13 HIS 121 H -0.32 0.20 0.21 -0.55 8.41 7.95 2kv1A13 HIS 121 HA 0.10 0.15 0.36 -0.75 4.63 4.49 2kv1A13 HIS 121 HB2 0.02 0.01 0.20 -0.04 3.26 3.46 2kv1A13 HIS 121 HB3 0.07 0.05 -0.02 -0.04 3.20 3.26 2kv1A13 HIS 121 HD2 -0.03 -0.05 -0.10 -0.04 6.97 6.75 2kv1A13 HIS 121 HE1 0.19 -0.04 -0.07 -0.04 7.75 7.79 2kv1A13 HIS 122 H 0.19 0.18 0.11 -0.55 8.41 8.34 2kv1A13 HIS 122 HA -0.33 0.15 0.51 -0.75 4.63 4.21 2kv1A13 HIS 122 HB2 -0.03 0.06 -0.05 -0.04 3.26 3.20 2kv1A13 HIS 122 HB3 -0.02 0.07 0.04 -0.04 3.20 3.24 2kv1A13 HIS 122 HD2 0.01 0.14 -0.02 -0.04 6.97 7.06 2kv1A13 HIS 122 HE1 0.06 0.03 0.04 -0.04 7.75 7.83 2kv1A13 HIS 123 H -1.07 0.06 0.06 -0.55 8.41 6.91 2kv1A13 HIS 123 HA 0.00 0.23 0.88 -0.75 4.63 4.99 2kv1A13 HIS 123 HB2 -0.27 -0.11 0.16 -0.04 3.26 3.00 2kv1A13 HIS 123 HB3 -0.05 0.05 0.06 -0.04 3.20 3.21 2kv1A13 HIS 123 HD2 0.08 0.07 -0.04 -0.04 6.97 7.04 2kv1A13 HIS 123 HE1 0.02 0.02 -0.06 -0.04 7.75 7.68 2kv1A13 HIS 124 H 0.03 0.05 0.07 -0.55 8.41 8.01 2kv1A13 HIS 124 HA 0.05 0.23 0.54 -0.75 4.63 4.69 2kv1A13 HIS 124 HB2 0.03 0.07 -0.16 -0.04 3.26 3.16 2kv1A13 HIS 124 HB3 0.02 -0.01 0.04 -0.04 3.20 3.21 2kv1A13 HIS 124 HD2 0.03 -0.02 0.03 -0.04 6.97 6.98 2kv1A13 HIS 124 HE1 0.02 0.01 0.01 -0.04 7.75 7.74