============================================================================= 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 32.411 36.620 69.482 -99.200 -91.000 PHE 6 1.000 38.649 32.361 61.194 -99.200 -91.000 PHE 7 1.000 36.928 41.142 62.661 -99.200 -91.000 PHE 12 1.000 52.214 39.310 55.166 -99.200 -91.000 HIS 15 0.900 53.212 46.264 53.497 -99.200 -91.000 PHE 16 1.000 48.967 51.152 48.101 -99.200 -91.000 TYR 21 0.840 65.920 40.187 45.974 -99.200 -91.000 TYR 28 0.840 76.339 46.648 49.946 -99.200 -91.000 PHE 31 1.000 65.425 44.681 41.857 -99.200 -91.000 HIS 34 0.900 66.060 50.598 33.850 -99.200 -91.000 TYR 37 0.840 61.832 38.602 32.564 -99.200 -91.000 HIS 39 0.900 56.516 35.999 33.698 -99.200 -91.000 TRP 43 1.040 59.776 32.481 45.048 -99.200 -91.000 TRP6 43 1.020 60.111 34.108 46.782 -99.200 -91.000 PHE 46 1.000 65.779 38.714 40.247 -99.200 -91.000 HIS 51 0.900 78.483 44.249 45.139 -99.200 -91.000 HIS 80 0.900 69.340 26.983 39.093 -99.200 -91.000 PHE 82 1.000 68.468 29.153 28.730 -99.200 -91.000 PHE 94 1.000 70.518 36.058 39.372 -99.200 -91.000 PHE 97 1.000 65.521 27.391 45.333 -99.200 -91.000 PHE 103 1.000 60.250 43.329 48.281 -99.200 -91.000 HIS 116 0.900 38.455 64.434 47.510 -99.200 -91.000 HIS 119 0.900 29.784 68.108 42.936 -99.200 -91.000 HIS 120 0.900 32.852 64.334 49.591 -99.200 -91.000 HIS 121 0.900 23.821 64.849 46.210 -99.200 -91.000 HIS 122 0.900 27.241 57.481 51.243 -99.200 -91.000 HIS 123 0.900 22.239 57.990 54.800 -99.200 -91.000 HIS 124 0.900 17.176 58.383 47.912 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kv1A2 MET 1 HA 0.04 -0.05 0.13 -0.75 4.52 3.89 2kv1A2 MET 1 HB2 0.02 -0.01 0.10 -0.04 2.15 2.22 2kv1A2 MET 1 HB3 0.02 0.02 0.07 -0.04 2.03 2.10 2kv1A2 MET 1 HG2 0.01 0.00 0.02 -0.04 2.63 2.62 2kv1A2 MET 1 HG3 0.01 0.00 0.01 -0.04 2.56 2.54 2kv1A2 MET 1 HE3 0.01 0.00 0.01 -0.04 2.10 2.08 2kv1A2 SER 2 H 0.12 0.08 -0.11 -0.55 8.46 8.00 2kv1A2 SER 2 HA 0.07 0.08 0.32 -0.75 4.49 4.21 2kv1A2 SER 2 HB2 0.05 0.16 0.12 -0.04 3.95 4.24 2kv1A2 SER 2 HB3 0.07 -0.15 0.11 -0.04 3.93 3.92 2kv1A2 PHE 3 H 0.14 0.09 0.11 -0.55 8.34 8.13 2kv1A2 PHE 3 HA 0.03 -0.01 0.40 -0.75 4.62 4.29 2kv1A2 PHE 3 HB2 0.02 -0.05 -0.07 -0.04 3.15 3.02 2kv1A2 PHE 3 HB3 0.03 0.16 -0.04 -0.04 3.06 3.17 2kv1A2 PHE 3 HD2 0.04 0.01 -0.08 -0.04 7.28 7.20 2kv1A2 PHE 3 HE2 0.04 -0.02 -0.08 -0.04 7.38 7.28 2kv1A2 PHE 3 HZ 0.00 -0.03 -0.05 -0.04 7.32 7.21 2kv1A2 CYS 4 H -1.15 0.23 0.17 -0.55 8.50 7.21 2kv1A2 CYS 4 HA -0.11 0.13 0.54 -0.75 4.58 4.39 2kv1A2 CYS 4 HB2 -0.08 0.11 -0.11 -0.04 2.97 2.85 2kv1A2 CYS 4 HB3 -0.16 -0.04 0.00 -0.04 2.97 2.73 2kv1A2 SER 5 H 0.03 0.26 0.08 -0.55 8.46 8.28 2kv1A2 SER 5 HA 0.02 0.06 0.35 -0.75 4.49 4.16 2kv1A2 SER 5 HB2 0.02 0.12 0.02 -0.04 3.95 4.07 2kv1A2 SER 5 HB3 0.37 -0.01 0.01 -0.04 3.93 4.25 2kv1A2 PHE 6 H 0.08 0.23 0.06 -0.55 8.34 8.15 2kv1A2 PHE 6 HA 0.04 0.16 0.88 -0.75 4.62 4.94 2kv1A2 PHE 6 HB2 0.01 -0.02 0.04 -0.04 3.15 3.14 2kv1A2 PHE 6 HB3 0.01 0.03 -0.07 -0.04 3.06 2.99 2kv1A2 PHE 6 HD2 0.01 -0.05 -0.02 -0.04 7.28 7.17 2kv1A2 PHE 6 HE2 0.01 0.02 0.01 -0.04 7.38 7.38 2kv1A2 PHE 6 HZ 0.01 0.02 0.02 -0.04 7.32 7.33 2kv1A2 PHE 7 H -0.14 0.24 0.00 -0.55 8.34 7.89 2kv1A2 PHE 7 HA -0.12 0.18 0.77 -0.75 4.62 4.69 2kv1A2 PHE 7 HB2 -0.05 0.03 0.13 -0.04 3.15 3.22 2kv1A2 PHE 7 HB3 -0.11 0.02 -0.24 -0.04 3.06 2.69 2kv1A2 PHE 7 HD2 0.01 -0.05 -0.18 -0.04 7.28 7.01 2kv1A2 PHE 7 HE2 0.05 0.02 -0.06 -0.04 7.38 7.35 2kv1A2 PHE 7 HZ 0.04 0.01 -0.04 -0.04 7.32 7.28 2kv1A2 GLY 8 H -0.03 0.05 -0.10 -0.55 8.43 7.81 2kv1A2 GLY 8 HA2 -0.02 0.07 0.40 -0.51 4.01 3.95 2kv1A2 GLY 8 HA3 -0.16 0.14 0.29 -0.51 4.01 3.77 2kv1A2 GLY 9 H 0.05 0.12 0.10 -0.55 8.43 8.15 2kv1A2 GLY 9 HA2 0.02 0.08 0.41 -0.51 4.01 4.01 2kv1A2 GLY 9 HA3 0.06 0.03 0.35 -0.51 4.01 3.94 2kv1A2 GLU 10 H 0.06 0.16 -0.04 -0.55 8.60 8.24 2kv1A2 GLU 10 HA 0.05 0.18 0.65 -0.75 4.29 4.42 2kv1A2 GLU 10 HB2 0.09 0.10 -0.18 -0.04 2.09 2.06 2kv1A2 GLU 10 HB3 0.31 -0.02 -0.02 -0.04 1.99 2.22 2kv1A2 GLU 10 HG2 -0.07 0.06 0.01 -0.04 2.34 2.31 2kv1A2 GLU 10 HG3 0.21 -0.32 0.08 -0.04 2.34 2.26 2kv1A2 VAL 11 H 0.07 0.21 0.13 -0.55 8.24 8.10 2kv1A2 VAL 11 HA 0.01 0.16 0.48 -0.75 4.13 4.03 2kv1A2 VAL 11 HB 0.00 0.05 0.07 -0.04 2.12 2.20 2kv1A2 VAL 11 HG13 0.01 0.01 0.00 -0.04 0.97 0.95 2kv1A2 VAL 11 HG23 -0.03 0.02 0.00 -0.04 0.95 0.90 2kv1A2 PHE 12 H 0.33 0.08 -0.07 -0.55 8.34 8.12 2kv1A2 PHE 12 HA -0.35 0.08 0.04 -0.75 4.62 3.64 2kv1A2 PHE 12 HB2 0.14 0.07 0.09 -0.04 3.15 3.41 2kv1A2 PHE 12 HB3 0.02 -0.02 0.10 -0.04 3.06 3.12 2kv1A2 PHE 12 HD2 0.08 -0.06 -0.06 -0.04 7.28 7.20 2kv1A2 PHE 12 HE2 0.05 0.01 -0.04 -0.04 7.38 7.36 2kv1A2 PHE 12 HZ 0.03 0.01 -0.03 -0.04 7.32 7.30 2kv1A2 GLN 13 H -0.23 0.10 -0.40 -0.55 8.47 7.39 2kv1A2 GLN 13 HA -0.48 0.07 0.41 -0.75 4.36 3.60 2kv1A2 GLN 13 HB2 -0.14 0.05 -0.00 -0.04 2.15 2.01 2kv1A2 GLN 13 HB3 -0.18 0.03 0.06 -0.04 2.02 1.89 2kv1A2 GLN 13 HG2 -0.32 -0.09 -0.03 -0.04 2.40 1.93 2kv1A2 GLN 13 HG3 -0.12 0.01 0.01 -0.04 2.39 2.24 2kv1A2 GLN 13 HE21 -2.03 -0.08 -0.12 -0.04 6.97 4.70 2kv1A2 GLN 13 HE22 -0.54 0.02 -0.02 -0.04 7.69 7.10 2kv1A2 ASN 14 H -0.12 0.42 -0.23 -0.55 8.53 8.05 2kv1A2 ASN 14 HA 0.01 0.14 0.54 -0.75 4.76 4.71 2kv1A2 ASN 14 HB2 -0.04 0.09 0.12 -0.04 2.88 3.02 2kv1A2 ASN 14 HB3 0.02 -0.04 0.07 -0.04 2.79 2.79 2kv1A2 ASN 14 HD21 -0.03 -0.05 -0.14 -0.04 7.03 6.77 2kv1A2 ASN 14 HD22 -0.01 -0.01 -0.04 -0.04 7.74 7.64 2kv1A2 HIS 15 H -0.09 0.39 -0.23 -0.55 8.41 7.93 2kv1A2 HIS 15 HA -0.07 -0.06 0.62 -0.75 4.63 4.37 2kv1A2 HIS 15 HB2 0.02 0.11 0.13 -0.04 3.26 3.49 2kv1A2 HIS 15 HB3 0.00 -0.07 0.05 -0.04 3.20 3.13 2kv1A2 HIS 15 HD2 0.17 0.06 0.10 -0.04 6.97 7.25 2kv1A2 HIS 15 HE1 0.01 -0.02 -0.06 -0.04 7.75 7.64 2kv1A2 PHE 16 H -0.23 0.11 0.20 -0.55 8.34 7.87 2kv1A2 PHE 16 HA 0.04 0.20 0.57 -0.75 4.62 4.67 2kv1A2 PHE 16 HB2 0.02 -0.03 0.18 -0.04 3.15 3.28 2kv1A2 PHE 16 HB3 0.02 0.09 0.02 -0.04 3.06 3.15 2kv1A2 PHE 16 HD2 0.02 0.12 0.03 -0.04 7.28 7.41 2kv1A2 PHE 16 HE2 0.02 -0.03 -0.02 -0.04 7.38 7.31 2kv1A2 PHE 16 HZ 0.02 0.00 -0.01 -0.04 7.32 7.29 2kv1A2 GLU 17 H -0.05 0.07 -0.03 -0.55 8.60 8.04 2kv1A2 GLU 17 HA -0.15 0.07 0.42 -0.75 4.29 3.88 2kv1A2 GLU 17 HB2 -0.15 0.09 0.18 -0.04 2.09 2.18 2kv1A2 GLU 17 HB3 -0.15 -0.01 0.08 -0.04 1.99 1.86 2kv1A2 GLU 17 HG2 -0.54 -0.04 -0.02 -0.04 2.34 1.70 2kv1A2 GLU 17 HG3 -0.68 -0.25 0.06 -0.04 2.34 1.43 2kv1A2 PRO 18 HA 0.10 0.15 0.48 -0.51 4.44 4.67 2kv1A2 PRO 18 HB2 0.06 0.06 0.05 -0.04 2.28 2.41 2kv1A2 PRO 18 HB3 0.06 0.07 0.11 -0.04 2.02 2.22 2kv1A2 PRO 18 HG2 -0.01 -0.06 0.01 -0.04 2.03 1.93 2kv1A2 PRO 18 HG3 0.02 0.03 0.08 -0.04 2.03 2.11 2kv1A2 PRO 18 HD2 -0.06 -0.03 0.18 -0.04 3.68 3.74 2kv1A2 PRO 18 HD3 0.00 0.20 0.21 -0.04 3.65 4.02 2kv1A2 GLY 19 H 0.16 0.24 0.19 -0.55 8.43 8.48 2kv1A2 GLY 19 HA2 -0.16 0.07 0.66 -0.51 4.01 4.07 2kv1A2 GLY 19 HA3 -0.48 0.05 0.22 -0.51 4.01 3.29 2kv1A2 VAL 20 H -0.35 0.69 0.21 -0.55 8.24 8.24 2kv1A2 VAL 20 HA 0.13 0.13 0.77 -0.75 4.13 4.41 2kv1A2 VAL 20 HB -0.02 0.04 -0.06 -0.04 2.12 2.05 2kv1A2 VAL 20 HG13 0.08 0.00 0.00 -0.04 0.97 1.01 2kv1A2 VAL 20 HG23 -0.02 0.03 -0.13 -0.04 0.95 0.78 2kv1A2 TYR 21 H 0.25 0.16 0.08 -0.55 8.29 8.22 2kv1A2 TYR 21 HA 0.11 0.33 1.02 -0.75 4.56 5.26 2kv1A2 TYR 21 HB2 0.03 -0.08 -0.09 -0.04 3.06 2.88 2kv1A2 TYR 21 HB3 0.17 0.18 -0.01 -0.04 2.98 3.27 2kv1A2 TYR 21 HD2 0.23 0.02 -0.11 -0.04 7.15 7.25 2kv1A2 TYR 21 HE2 0.14 -0.05 -0.15 -0.04 6.85 6.75 2kv1A2 VAL 22 H -0.11 0.72 0.31 -0.55 8.24 8.60 2kv1A2 VAL 22 HA -0.01 0.17 0.77 -0.75 4.13 4.31 2kv1A2 VAL 22 HB 0.01 0.06 -0.44 -0.04 2.12 1.70 2kv1A2 VAL 22 HG13 0.01 0.02 -0.37 -0.04 0.97 0.58 2kv1A2 VAL 22 HG23 -0.02 0.05 -0.26 -0.04 0.95 0.67 2kv1A2 CYS 23 H -0.01 0.41 0.09 -0.55 8.50 8.45 2kv1A2 CYS 23 HA -0.08 0.14 0.52 -0.75 4.58 4.41 2kv1A2 CYS 23 HB2 -0.00 0.16 0.17 -0.04 2.97 3.26 2kv1A2 CYS 23 HB3 0.02 -0.26 0.20 -0.04 2.97 2.89 2kv1A2 ALA 24 H -0.07 0.55 0.38 -0.55 8.40 8.71 2kv1A2 ALA 24 HA -0.05 0.13 0.46 -0.75 4.34 4.12 2kv1A2 ALA 24 HB3 -0.06 0.00 -0.17 -0.04 1.41 1.14 2kv1A2 LYS 25 H -0.03 -0.16 -0.18 -0.55 8.42 7.50 2kv1A2 LYS 25 HA -0.02 0.26 0.79 -0.75 4.32 4.59 2kv1A2 LYS 25 HB2 -0.03 -0.11 0.10 -0.04 1.87 1.79 2kv1A2 LYS 25 HB3 -0.02 0.05 -0.00 -0.04 1.79 1.78 2kv1A2 LYS 25 HG2 -0.02 0.05 0.05 -0.04 1.46 1.50 2kv1A2 LYS 25 HG3 -0.03 0.10 -0.16 -0.04 1.46 1.33 2kv1A2 LYS 25 HD2 -0.03 0.04 -0.03 -0.04 1.69 1.63 2kv1A2 LYS 25 HD3 -0.03 -0.08 -0.04 -0.04 1.68 1.49 2kv1A2 LYS 25 HE2 -0.02 -0.19 -0.07 -0.04 2.99 2.67 2kv1A2 LYS 25 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 2kv1A2 CYS 26 H -0.01 -0.07 0.09 -0.55 8.50 7.96 2kv1A2 CYS 26 HA 0.01 0.21 0.40 -0.75 4.58 4.45 2kv1A2 CYS 26 HB2 0.05 -0.08 0.10 -0.04 2.97 2.99 2kv1A2 CYS 26 HB3 0.03 0.09 0.09 -0.04 2.97 3.15 2kv1A2 SER 27 H 0.02 -0.04 -0.15 -0.55 8.46 7.74 2kv1A2 SER 27 HA 0.02 0.21 0.21 -0.75 4.49 4.18 2kv1A2 SER 27 HB2 0.02 -0.03 0.05 -0.04 3.95 3.95 2kv1A2 SER 27 HB3 0.01 0.07 -0.23 -0.04 3.93 3.73 2kv1A2 TYR 28 H 0.16 -0.07 -0.76 -0.55 8.29 7.06 2kv1A2 TYR 28 HA 0.02 0.13 0.57 -0.75 4.56 4.53 2kv1A2 TYR 28 HB2 0.02 0.12 0.04 -0.04 3.06 3.20 2kv1A2 TYR 28 HB3 0.02 -0.12 0.03 -0.04 2.98 2.87 2kv1A2 TYR 28 HD2 0.08 -0.04 0.02 -0.04 7.15 7.17 2kv1A2 TYR 28 HE2 0.15 -0.02 0.00 -0.04 6.85 6.94 2kv1A2 GLU 29 H -0.08 0.15 0.19 -0.55 8.60 8.32 2kv1A2 GLU 29 HA -0.05 0.17 0.72 -0.75 4.29 4.38 2kv1A2 GLU 29 HB2 -0.06 -0.03 0.11 -0.04 2.09 2.07 2kv1A2 GLU 29 HB3 -0.00 0.04 0.02 -0.04 1.99 2.00 2kv1A2 GLU 29 HG2 0.01 0.01 -0.03 -0.04 2.34 2.28 2kv1A2 GLU 29 HG3 0.02 0.08 -0.05 -0.04 2.34 2.35 2kv1A2 LEU 30 H 0.03 0.62 0.29 -0.55 8.37 8.77 2kv1A2 LEU 30 HA -0.02 0.07 0.70 -0.75 4.35 4.35 2kv1A2 LEU 30 HB2 0.05 -0.07 -0.09 -0.04 1.64 1.49 2kv1A2 LEU 30 HB3 -0.18 0.14 -0.28 -0.04 1.64 1.28 2kv1A2 LEU 30 HG 0.01 0.06 -0.01 -0.04 1.64 1.65 2kv1A2 LEU 30 HD13 0.11 -0.03 -0.11 -0.04 0.93 0.86 2kv1A2 LEU 30 HD23 0.04 -0.02 -0.17 -0.04 0.89 0.70 2kv1A2 PHE 31 H 0.14 0.34 0.19 -0.55 8.34 8.46 2kv1A2 PHE 31 HA 0.14 -0.01 0.26 -0.75 4.62 4.25 2kv1A2 PHE 31 HB2 0.25 0.16 0.22 -0.04 3.15 3.75 2kv1A2 PHE 31 HB3 0.14 -0.06 -0.03 -0.04 3.06 3.06 2kv1A2 PHE 31 HD2 0.17 -0.02 -0.08 -0.04 7.28 7.30 2kv1A2 PHE 31 HE2 0.10 0.01 -0.13 -0.04 7.38 7.32 2kv1A2 PHE 31 HZ -0.06 0.03 -0.07 -0.04 7.32 7.18 2kv1A2 SER 32 H -0.92 0.20 0.14 -0.55 8.46 7.34 2kv1A2 SER 32 HA -0.27 0.22 0.83 -0.75 4.49 4.52 2kv1A2 SER 32 HB2 -0.15 0.15 -0.03 -0.04 3.95 3.88 2kv1A2 SER 32 HB3 -0.21 -0.04 0.05 -0.04 3.93 3.69 2kv1A2 SER 33 H -0.22 0.21 0.14 -0.55 8.46 8.05 2kv1A2 SER 33 HA -0.05 0.15 0.44 -0.75 4.49 4.27 2kv1A2 SER 33 HB2 0.05 0.07 0.16 -0.04 3.95 4.19 2kv1A2 SER 33 HB3 -0.01 0.02 0.11 -0.04 3.93 4.02 2kv1A2 HIS 34 H -0.08 -0.13 -0.54 -0.55 8.41 7.11 2kv1A2 HIS 34 HA -0.01 0.29 0.78 -0.75 4.63 4.94 2kv1A2 HIS 34 HB2 -0.05 -0.08 -0.02 -0.04 3.26 3.08 2kv1A2 HIS 34 HB3 -0.01 0.05 0.04 -0.04 3.20 3.24 2kv1A2 HIS 34 HD2 -0.01 0.01 -0.02 -0.04 6.97 6.90 2kv1A2 HIS 34 HE1 0.00 0.01 -0.03 -0.04 7.75 7.69 2kv1A2 SER 35 H -0.09 0.08 -0.05 -0.55 8.46 7.85 2kv1A2 SER 35 HA 0.09 0.11 0.50 -0.75 4.49 4.44 2kv1A2 SER 35 HB2 0.13 0.08 -0.05 -0.04 3.95 4.07 2kv1A2 SER 35 HB3 -0.01 0.01 -0.07 -0.04 3.93 3.82 2kv1A2 LYS 36 H 0.07 0.14 -0.51 -0.55 8.42 7.57 2kv1A2 LYS 36 HA 0.11 -0.04 0.82 -0.75 4.32 4.45 2kv1A2 LYS 36 HB2 0.29 -0.11 -0.08 -0.04 1.87 1.93 2kv1A2 LYS 36 HB3 0.06 0.04 -0.11 -0.04 1.79 1.74 2kv1A2 LYS 36 HG2 -0.43 0.28 0.18 -0.04 1.46 1.45 2kv1A2 LYS 36 HG3 -0.64 -0.14 0.04 -0.04 1.46 0.68 2kv1A2 LYS 36 HD2 -1.03 0.15 -0.02 -0.04 1.69 0.74 2kv1A2 LYS 36 HD3 -0.38 -0.17 -0.05 -0.04 1.68 1.04 2kv1A2 LYS 36 HE2 -0.32 -0.12 0.00 -0.04 2.99 2.52 2kv1A2 LYS 36 HE3 -0.16 -0.10 -0.08 -0.04 2.99 2.61 2kv1A2 TYR 37 H -0.16 0.26 0.13 -0.55 8.29 7.97 2kv1A2 TYR 37 HA 0.02 0.14 0.78 -0.75 4.56 4.74 2kv1A2 TYR 37 HB2 0.03 -0.02 0.08 -0.04 3.06 3.10 2kv1A2 TYR 37 HB3 0.03 -0.01 0.00 -0.04 2.98 2.95 2kv1A2 TYR 37 HD2 0.06 0.04 -0.27 -0.04 7.15 6.95 2kv1A2 TYR 37 HE2 -0.06 0.04 -0.21 -0.04 6.85 6.58 2kv1A2 ALA 38 H 0.20 0.10 0.11 -0.55 8.40 8.26 2kv1A2 ALA 38 HA 0.01 0.10 0.54 -0.75 4.34 4.24 2kv1A2 ALA 38 HB3 0.05 0.00 0.08 -0.04 1.41 1.50 2kv1A2 HIS 39 H -0.01 0.28 0.17 -0.55 8.41 8.30 2kv1A2 HIS 39 HA 0.03 0.06 0.54 -0.75 4.63 4.51 2kv1A2 HIS 39 HB2 -0.00 0.07 -0.41 -0.04 3.26 2.87 2kv1A2 HIS 39 HB3 -0.13 -0.02 -0.12 -0.04 3.20 2.88 2kv1A2 HIS 39 HD2 0.19 0.07 0.03 -0.04 6.97 7.21 2kv1A2 HIS 39 HE1 0.02 0.01 -0.05 -0.04 7.75 7.68 2kv1A2 SER 40 H -0.49 0.16 0.05 -0.55 8.46 7.62 2kv1A2 SER 40 HA -0.11 0.13 0.66 -0.75 4.49 4.42 2kv1A2 SER 40 HB2 -0.19 -0.03 0.14 -0.04 3.95 3.83 2kv1A2 SER 40 HB3 -0.13 0.02 0.16 -0.04 3.93 3.93 2kv1A2 SER 41 H -0.07 0.40 0.19 -0.55 8.46 8.44 2kv1A2 SER 41 HA -0.04 0.07 0.42 -0.75 4.49 4.19 2kv1A2 SER 41 HB2 0.06 -0.04 -0.27 -0.04 3.95 3.66 2kv1A2 SER 41 HB3 0.04 0.08 0.04 -0.04 3.93 4.05 2kv1A2 PRO 42 HA -0.40 0.08 0.72 -0.51 4.44 4.33 2kv1A2 PRO 42 HB2 -0.56 0.02 0.01 -0.04 2.28 1.71 2kv1A2 PRO 42 HB3 -0.35 0.02 0.14 -0.04 2.02 1.79 2kv1A2 PRO 42 HG2 -0.07 0.04 0.06 -0.04 2.03 2.02 2kv1A2 PRO 42 HG3 -0.10 0.03 0.07 -0.04 2.03 1.99 2kv1A2 PRO 42 HD2 -0.05 0.11 0.23 -0.04 3.68 3.93 2kv1A2 PRO 42 HD3 -0.11 0.12 0.11 -0.04 3.65 3.73 2kv1A2 TRP 43 H -0.65 0.07 0.11 -0.55 7.97 6.96 2kv1A2 TRP 43 HA -0.06 0.02 0.30 -0.75 4.62 4.13 2kv1A2 TRP 43 HB2 -0.03 0.08 0.01 -0.04 3.23 3.25 2kv1A2 TRP 43 HB3 -0.01 0.02 0.14 -0.04 3.23 3.34 2kv1A2 TRP 43 HD1 0.03 0.04 -0.08 -0.04 7.22 7.16 2kv1A2 TRP 43 HE1 0.08 0.01 0.01 -0.04 10.20 10.26 2kv1A2 TRP 43 HE3 0.03 0.08 0.08 -0.04 7.59 7.74 2kv1A2 TRP 43 HZ2 0.08 0.01 0.04 -0.04 7.44 7.52 2kv1A2 TRP 43 HZ3 0.09 0.03 0.07 -0.04 7.13 7.28 2kv1A2 TRP 43 HH2 0.09 0.02 0.06 -0.04 7.19 7.32 2kv1A2 PRO 44 HA -0.05 0.00 0.19 -0.51 4.44 4.06 2kv1A2 PRO 44 HB2 -0.15 0.04 0.00 -0.04 2.28 2.14 2kv1A2 PRO 44 HB3 -0.03 -0.03 -0.06 -0.04 2.02 1.86 2kv1A2 PRO 44 HG2 -0.25 -0.01 0.13 -0.04 2.03 1.86 2kv1A2 PRO 44 HG3 -0.16 0.08 0.15 -0.04 2.03 2.06 2kv1A2 PRO 44 HD2 -0.12 -0.01 0.09 -0.04 3.68 3.60 2kv1A2 PRO 44 HD3 -0.15 0.16 -0.07 -0.04 3.65 3.55 2kv1A2 ALA 45 H -0.18 0.05 0.17 -0.55 8.40 7.89 2kv1A2 ALA 45 HA -0.05 0.03 0.11 -0.75 4.34 3.68 2kv1A2 ALA 45 HB3 0.01 0.02 0.14 -0.04 1.41 1.54 2kv1A2 PHE 46 H 0.33 0.57 0.37 -0.55 8.34 9.06 2kv1A2 PHE 46 HA 0.03 0.04 0.87 -0.75 4.62 4.80 2kv1A2 PHE 46 HB2 0.36 -0.02 0.03 -0.04 3.15 3.47 2kv1A2 PHE 46 HB3 0.32 0.16 0.18 -0.04 3.06 3.67 2kv1A2 PHE 46 HD2 0.12 0.05 -0.02 -0.04 7.28 7.39 2kv1A2 PHE 46 HE2 0.02 -0.04 -0.08 -0.04 7.38 7.24 2kv1A2 PHE 46 HZ -0.19 -0.02 -0.10 -0.04 7.32 6.98 2kv1A2 THR 47 H 0.35 0.49 0.21 -0.55 8.28 8.78 2kv1A2 THR 47 HA 0.29 0.26 0.79 -0.75 4.39 4.98 2kv1A2 THR 47 HB 0.15 -0.02 -0.01 -0.04 4.32 4.40 2kv1A2 THR 47 HG23 0.22 0.01 -0.03 -0.04 1.22 1.38 2kv1A2 GLU 48 H 0.23 0.29 0.18 -0.55 8.60 8.75 2kv1A2 GLU 48 HA 0.03 0.16 0.56 -0.75 4.29 4.29 2kv1A2 GLU 48 HB2 0.07 -0.04 -0.03 -0.04 2.09 2.04 2kv1A2 GLU 48 HB3 0.01 -0.03 0.05 -0.04 1.99 1.98 2kv1A2 GLU 48 HG2 0.04 0.06 -0.14 -0.04 2.34 2.25 2kv1A2 GLU 48 HG3 0.09 -0.04 -0.50 -0.04 2.34 1.85 2kv1A2 THR 49 H -0.10 0.25 0.09 -0.55 8.28 7.97 2kv1A2 THR 49 HA -0.22 0.13 0.73 -0.75 4.39 4.28 2kv1A2 THR 49 HB -0.24 -0.04 -0.10 -0.04 4.32 3.89 2kv1A2 THR 49 HG23 -1.10 0.01 -0.22 -0.04 1.22 -0.12 2kv1A2 ILE 50 H -0.00 0.18 0.01 -0.55 8.25 7.89 2kv1A2 ILE 50 HA -0.01 0.18 0.43 -0.75 4.18 4.03 2kv1A2 ILE 50 HB 0.07 0.03 -0.12 -0.04 1.89 1.83 2kv1A2 ILE 50 HG12 -0.07 -0.20 -0.08 -0.04 1.49 1.10 2kv1A2 ILE 50 HG13 -0.01 0.05 -0.27 -0.04 1.21 0.94 2kv1A2 ILE 50 HG23 -0.03 0.02 -0.15 -0.04 0.93 0.73 2kv1A2 ILE 50 HD13 0.20 0.05 -0.04 -0.04 0.88 1.05 2kv1A2 HIS 51 H 0.08 0.06 -0.17 -0.55 8.41 7.83 2kv1A2 HIS 51 HA 0.01 0.26 0.78 -0.75 4.63 4.92 2kv1A2 HIS 51 HB2 0.01 0.04 -0.12 -0.04 3.26 3.16 2kv1A2 HIS 51 HB3 0.02 -0.04 0.10 -0.04 3.20 3.23 2kv1A2 HIS 51 HD2 0.03 -0.17 -0.26 -0.04 6.97 6.53 2kv1A2 HIS 51 HE1 0.24 0.04 -0.04 -0.04 7.75 7.95 2kv1A2 PRO 52 HA -0.01 0.05 0.11 -0.51 4.44 4.08 2kv1A2 PRO 52 HB2 0.01 0.09 -0.06 -0.04 2.28 2.28 2kv1A2 PRO 52 HB3 -0.00 0.07 0.01 -0.04 2.02 2.06 2kv1A2 PRO 52 HG2 0.04 -0.03 0.07 -0.04 2.03 2.07 2kv1A2 PRO 52 HG3 0.01 0.11 0.02 -0.04 2.03 2.13 2kv1A2 PRO 52 HD2 0.04 0.14 0.12 -0.04 3.68 3.94 2kv1A2 PRO 52 HD3 0.02 0.25 -0.21 -0.04 3.65 3.67 2kv1A2 ASP 53 H 0.13 0.15 -0.08 -0.55 8.40 8.06 2kv1A2 ASP 53 HA 0.02 0.23 0.54 -0.75 4.63 4.68 2kv1A2 ASP 53 HB2 0.05 0.05 0.13 -0.04 2.71 2.89 2kv1A2 ASP 53 HB3 0.04 0.01 0.05 -0.04 2.70 2.77 2kv1A2 SER 54 H 0.03 0.23 -0.54 -0.55 8.46 7.63 2kv1A2 SER 54 HA -0.15 0.17 0.78 -0.75 4.49 4.54 2kv1A2 SER 54 HB2 -0.57 0.11 0.06 -0.04 3.95 3.51 2kv1A2 SER 54 HB3 -0.28 -0.10 0.01 -0.04 3.93 3.52 2kv1A2 VAL 55 H -0.05 0.28 -0.15 -0.55 8.24 7.77 2kv1A2 VAL 55 HA -0.04 -0.17 1.01 -0.75 4.13 4.17 2kv1A2 VAL 55 HB -0.04 0.12 0.10 -0.04 2.12 2.27 2kv1A2 VAL 55 HG13 -0.05 -0.03 -0.14 -0.04 0.97 0.71 2kv1A2 VAL 55 HG23 -0.10 0.02 -0.09 -0.04 0.95 0.74 2kv1A2 THR 56 H -0.01 0.67 0.40 -0.55 8.28 8.79 2kv1A2 THR 56 HA -0.01 0.15 0.36 -0.75 4.39 4.14 2kv1A2 THR 56 HB -0.01 0.12 -0.02 -0.04 4.32 4.37 2kv1A2 THR 56 HG23 -0.00 -0.02 -0.12 -0.04 1.22 1.03 2kv1A2 LYS 57 H 0.00 0.25 0.19 -0.55 8.42 8.31 2kv1A2 LYS 57 HA 0.03 0.01 0.98 -0.75 4.32 4.58 2kv1A2 LYS 57 HB2 0.05 0.15 0.01 -0.04 1.87 2.04 2kv1A2 LYS 57 HB3 0.04 -0.07 -0.03 -0.04 1.79 1.69 2kv1A2 LYS 57 HG2 0.02 0.00 -0.14 -0.04 1.46 1.30 2kv1A2 LYS 57 HG3 -0.01 -0.08 -0.20 -0.04 1.46 1.13 2kv1A2 LYS 57 HD2 0.01 -0.02 0.07 -0.04 1.69 1.70 2kv1A2 LYS 57 HD3 0.02 0.04 -0.13 -0.04 1.68 1.56 2kv1A2 LYS 57 HE2 -0.01 0.00 -0.05 -0.04 2.99 2.89 2kv1A2 LYS 57 HE3 -0.00 0.02 -0.02 -0.04 2.99 2.94 2kv1A2 CYS 58 H 0.04 0.65 0.30 -0.55 8.50 8.94 2kv1A2 CYS 58 HA 0.02 0.17 0.87 -0.75 4.58 4.89 2kv1A2 CYS 58 HB2 0.02 0.10 0.03 -0.04 2.97 3.08 2kv1A2 CYS 58 HB3 0.02 0.02 -0.20 -0.04 2.97 2.77 2kv1A2 PRO 59 HA 0.04 0.07 0.62 -0.51 4.44 4.66 2kv1A2 PRO 59 HB2 0.02 0.25 0.02 -0.04 2.28 2.53 2kv1A2 PRO 59 HB3 0.02 -0.00 0.09 -0.04 2.02 2.08 2kv1A2 PRO 59 HG2 0.02 0.02 0.04 -0.04 2.03 2.07 2kv1A2 PRO 59 HG3 0.01 0.04 0.07 -0.04 2.03 2.11 2kv1A2 PRO 59 HD2 0.02 0.08 0.24 -0.04 3.68 3.98 2kv1A2 PRO 59 HD3 0.02 0.13 0.22 -0.04 3.65 3.98 2kv1A2 GLU 60 H 0.05 0.49 0.35 -0.55 8.60 8.95 2kv1A2 GLU 60 HA 0.04 0.10 0.80 -0.75 4.29 4.48 2kv1A2 GLU 60 HB2 0.04 0.30 0.04 -0.04 2.09 2.43 2kv1A2 GLU 60 HB3 0.04 -0.31 -0.05 -0.04 1.99 1.62 2kv1A2 GLU 60 HG2 0.08 0.01 0.01 -0.04 2.34 2.40 2kv1A2 GLU 60 HG3 0.04 0.05 -0.00 -0.04 2.34 2.39 2kv1A2 LYS 61 H 0.03 0.09 0.13 -0.55 8.42 8.11 2kv1A2 LYS 61 HA 0.02 0.25 0.63 -0.75 4.32 4.46 2kv1A2 LYS 61 HB2 0.02 0.05 0.02 -0.04 1.87 1.92 2kv1A2 LYS 61 HB3 0.02 -0.03 0.10 -0.04 1.79 1.84 2kv1A2 LYS 61 HG2 0.01 0.01 -0.01 -0.04 1.46 1.43 2kv1A2 LYS 61 HG3 0.01 0.01 -0.03 -0.04 1.46 1.42 2kv1A2 LYS 61 HD2 0.01 0.02 0.05 -0.04 1.69 1.74 2kv1A2 LYS 61 HD3 0.01 0.03 -0.09 -0.04 1.68 1.59 2kv1A2 LYS 61 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.94 2kv1A2 LYS 61 HE3 0.01 0.01 0.00 -0.04 2.99 2.96 2kv1A2 ASN 62 H 0.02 0.01 0.13 -0.55 8.53 8.15 2kv1A2 ASN 62 HA 0.02 0.22 0.71 -0.75 4.76 4.95 2kv1A2 ASN 62 HB2 0.02 0.04 0.15 -0.04 2.88 3.05 2kv1A2 ASN 62 HB3 0.01 0.04 0.05 -0.04 2.79 2.86 2kv1A2 ASN 62 HD21 0.02 0.05 0.01 -0.04 7.03 7.06 2kv1A2 ASN 62 HD22 0.02 0.01 0.03 -0.04 7.74 7.76 2kv1A2 ARG 63 H 0.02 -0.02 -0.48 -0.55 8.46 7.43 2kv1A2 ARG 63 HA 0.02 0.23 0.49 -0.75 4.34 4.32 2kv1A2 ARG 63 HB2 0.02 -0.04 0.13 -0.04 1.90 1.97 2kv1A2 ARG 63 HB3 0.02 0.05 0.11 -0.04 1.80 1.94 2kv1A2 ARG 63 HG2 0.02 0.24 -0.24 -0.04 1.67 1.64 2kv1A2 ARG 63 HG3 0.02 -0.17 -0.28 -0.04 1.67 1.20 2kv1A2 ARG 63 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.13 2kv1A2 ARG 63 HD3 -0.00 0.03 -0.02 -0.04 3.22 3.19 2kv1A2 PRO 64 HA 0.02 0.21 0.06 -0.51 4.44 4.22 2kv1A2 PRO 64 HB2 0.01 0.02 0.18 -0.04 2.28 2.44 2kv1A2 PRO 64 HB3 0.01 0.13 0.04 -0.04 2.02 2.17 2kv1A2 PRO 64 HG2 0.02 0.03 -0.06 -0.04 2.03 1.97 2kv1A2 PRO 64 HG3 0.01 0.07 0.00 -0.04 2.03 2.08 2kv1A2 PRO 64 HD2 0.02 0.13 -0.14 -0.04 3.68 3.65 2kv1A2 PRO 64 HD3 0.02 0.08 -0.35 -0.04 3.65 3.35 2kv1A2 GLU 65 H 0.04 0.53 -0.16 -0.55 8.60 8.47 2kv1A2 GLU 65 HA -0.00 0.18 0.78 -0.75 4.29 4.50 2kv1A2 GLU 65 HB2 0.13 -0.00 -0.07 -0.04 2.09 2.11 2kv1A2 GLU 65 HB3 0.11 0.01 0.09 -0.04 1.99 2.16 2kv1A2 GLU 65 HG2 0.03 0.09 -0.38 -0.04 2.34 2.04 2kv1A2 GLU 65 HG3 0.05 -0.06 -0.30 -0.04 2.34 1.98 2kv1A2 ALA 66 H 0.05 0.28 0.24 -0.55 8.40 8.43 2kv1A2 ALA 66 HA 0.09 0.07 0.74 -0.75 4.34 4.49 2kv1A2 ALA 66 HB3 0.16 0.03 -0.07 -0.04 1.41 1.49 2kv1A2 LEU 67 H 0.11 0.53 0.31 -0.55 8.37 8.78 2kv1A2 LEU 67 HA 0.08 0.06 1.00 -0.75 4.35 4.73 2kv1A2 LEU 67 HB2 0.09 0.02 0.11 -0.04 1.64 1.82 2kv1A2 LEU 67 HB3 0.07 0.19 -0.08 -0.04 1.64 1.79 2kv1A2 LEU 67 HG 0.03 -0.01 -0.26 -0.04 1.64 1.36 2kv1A2 LEU 67 HD13 0.01 -0.02 -0.18 -0.04 0.93 0.70 2kv1A2 LEU 67 HD23 0.03 -0.01 -0.18 -0.04 0.89 0.69 2kv1A2 LYS 68 H 0.11 0.65 0.36 -0.55 8.42 8.98 2kv1A2 LYS 68 HA 0.18 0.19 0.91 -0.75 4.32 4.85 2kv1A2 LYS 68 HB2 0.07 0.06 0.09 -0.04 1.87 2.04 2kv1A2 LYS 68 HB3 0.03 0.03 0.00 -0.04 1.79 1.81 2kv1A2 LYS 68 HG2 0.16 0.04 0.04 -0.04 1.46 1.66 2kv1A2 LYS 68 HG3 0.16 -0.09 -0.01 -0.04 1.46 1.48 2kv1A2 LYS 68 HD2 0.06 0.05 -0.07 -0.04 1.69 1.69 2kv1A2 LYS 68 HD3 0.05 0.04 -0.01 -0.04 1.68 1.72 2kv1A2 LYS 68 HE2 0.10 0.02 -0.00 -0.04 2.99 3.06 2kv1A2 LYS 68 HE3 0.10 -0.07 -0.01 -0.04 2.99 2.97 2kv1A2 VAL 69 H 0.01 0.80 -0.11 -0.55 8.24 8.39 2kv1A2 VAL 69 HA 0.05 0.12 0.90 -0.75 4.13 4.45 2kv1A2 VAL 69 HB 0.22 -0.13 -0.20 -0.04 2.12 1.97 2kv1A2 VAL 69 HG13 0.05 0.01 -0.23 -0.04 0.97 0.76 2kv1A2 VAL 69 HG23 0.23 -0.01 -0.46 -0.04 0.95 0.67 2kv1A2 SER 70 H 0.02 0.74 0.33 -0.55 8.46 9.01 2kv1A2 SER 70 HA 0.00 -0.08 0.77 -0.75 4.49 4.43 2kv1A2 SER 70 HB2 -0.00 0.01 -0.45 -0.04 3.95 3.46 2kv1A2 SER 70 HB3 -0.00 0.15 -0.05 -0.04 3.93 3.99 2kv1A2 CYS 71 H -0.01 0.06 -0.10 -0.55 8.50 7.90 2kv1A2 CYS 71 HA -0.02 0.21 0.88 -0.75 4.58 4.90 2kv1A2 CYS 71 HB2 -0.01 0.06 0.13 -0.04 2.97 3.11 2kv1A2 CYS 71 HB3 -0.02 -0.06 0.28 -0.04 2.97 3.12 2kv1A2 GLY 72 H -0.02 0.36 0.02 -0.55 8.43 8.25 2kv1A2 GLY 72 HA2 -0.02 0.05 0.31 -0.51 4.01 3.84 2kv1A2 GLY 72 HA3 -0.02 0.12 0.13 -0.51 4.01 3.74 2kv1A2 LYS 73 H -0.04 0.43 -0.18 -0.55 8.42 8.07 2kv1A2 LYS 73 HA -0.04 0.09 0.43 -0.75 4.32 4.04 2kv1A2 LYS 73 HB2 -0.06 0.03 0.17 -0.04 1.87 1.96 2kv1A2 LYS 73 HB3 -0.04 -0.05 -0.05 -0.04 1.79 1.61 2kv1A2 LYS 73 HG2 -0.11 0.05 0.17 -0.04 1.46 1.53 2kv1A2 LYS 73 HG3 -0.12 -0.09 0.08 -0.04 1.46 1.29 2kv1A2 LYS 73 HD2 -0.04 -0.03 0.00 -0.04 1.69 1.58 2kv1A2 LYS 73 HD3 -0.04 0.06 0.09 -0.04 1.68 1.74 2kv1A2 LYS 73 HE2 -0.06 0.03 0.02 -0.04 2.99 2.94 2kv1A2 LYS 73 HE3 -0.06 -0.05 0.01 -0.04 2.99 2.85 2kv1A2 CYS 74 H -0.03 0.10 -0.12 -0.55 8.50 7.90 2kv1A2 CYS 74 HA -0.02 0.22 0.69 -0.75 4.58 4.72 2kv1A2 CYS 74 HB2 -0.02 0.07 0.06 -0.04 2.97 3.04 2kv1A2 CYS 74 HB3 -0.02 -0.00 -0.14 -0.04 2.97 2.76 2kv1A2 GLY 75 H -0.02 0.18 0.02 -0.55 8.43 8.06 2kv1A2 GLY 75 HA2 -0.01 0.01 0.24 -0.51 4.01 3.73 2kv1A2 GLY 75 HA3 -0.01 0.10 0.42 -0.51 4.01 4.00 2kv1A2 ASN 76 H -0.02 0.32 0.02 -0.55 8.53 8.31 2kv1A2 ASN 76 HA -0.02 0.24 0.41 -0.75 4.76 4.64 2kv1A2 ASN 76 HB2 -0.02 0.08 0.09 -0.04 2.88 2.99 2kv1A2 ASN 76 HB3 -0.02 -0.25 0.26 -0.04 2.79 2.74 2kv1A2 ASN 76 HD21 -0.03 -0.01 0.14 -0.04 7.03 7.09 2kv1A2 ASN 76 HD22 -0.04 0.12 0.02 -0.04 7.74 7.80 2kv1A2 GLY 77 H -0.02 0.06 0.18 -0.55 8.43 8.10 2kv1A2 GLY 77 HA2 -0.01 0.04 0.41 -0.51 4.01 3.94 2kv1A2 GLY 77 HA3 -0.01 0.23 0.48 -0.51 4.01 4.20 2kv1A2 LEU 78 H -0.02 0.00 0.31 -0.55 8.37 8.12 2kv1A2 LEU 78 HA 0.02 0.27 0.84 -0.75 4.35 4.72 2kv1A2 LEU 78 HB2 0.03 -0.04 0.09 -0.04 1.64 1.67 2kv1A2 LEU 78 HB3 0.11 0.03 0.18 -0.04 1.64 1.92 2kv1A2 LEU 78 HG -0.02 -0.30 0.02 -0.04 1.64 1.29 2kv1A2 LEU 78 HD13 -0.06 0.02 -0.15 -0.04 0.93 0.70 2kv1A2 LEU 78 HD23 -0.04 0.10 -0.23 -0.04 0.89 0.68 2kv1A2 GLY 79 H -0.07 0.32 0.26 -0.55 8.43 8.39 2kv1A2 GLY 79 HA2 -0.30 0.21 1.02 -0.51 4.01 4.42 2kv1A2 GLY 79 HA3 -0.11 -0.02 0.45 -0.51 4.01 3.81 2kv1A2 HIS 80 H -0.12 0.70 0.37 -0.55 8.41 8.82 2kv1A2 HIS 80 HA 0.06 0.11 0.90 -0.75 4.63 4.95 2kv1A2 HIS 80 HB2 -0.05 0.01 0.11 -0.04 3.26 3.29 2kv1A2 HIS 80 HB3 0.04 0.06 0.05 -0.04 3.20 3.30 2kv1A2 HIS 80 HD2 0.03 0.02 -0.03 -0.04 6.97 6.95 2kv1A2 HIS 80 HE1 -0.05 -0.02 -0.07 -0.04 7.75 7.56 2kv1A2 GLU 81 H 0.22 0.73 0.16 -0.55 8.60 9.16 2kv1A2 GLU 81 HA 0.28 0.30 0.88 -0.75 4.29 5.00 2kv1A2 GLU 81 HB2 0.26 -0.04 -0.19 -0.04 2.09 2.08 2kv1A2 GLU 81 HB3 0.14 -0.04 0.02 -0.04 1.99 2.07 2kv1A2 GLU 81 HG2 0.12 -0.04 -0.31 -0.04 2.34 2.07 2kv1A2 GLU 81 HG3 0.20 0.09 -0.14 -0.04 2.34 2.45 2kv1A2 PHE 82 H 0.29 0.68 0.22 -0.55 8.34 8.97 2kv1A2 PHE 82 HA 0.04 0.04 1.00 -0.75 4.62 4.94 2kv1A2 PHE 82 HB2 0.01 -0.03 0.12 -0.04 3.15 3.21 2kv1A2 PHE 82 HB3 0.04 0.01 0.24 -0.04 3.06 3.31 2kv1A2 PHE 82 HD2 0.01 -0.05 0.08 -0.04 7.28 7.28 2kv1A2 PHE 82 HE2 -0.00 -0.02 0.01 -0.04 7.38 7.32 2kv1A2 PHE 82 HZ -0.00 -0.02 -0.00 -0.04 7.32 7.25 2kv1A2 LEU 83 H -0.09 0.21 0.06 -0.55 8.37 8.00 2kv1A2 LEU 83 HA -0.05 0.08 0.65 -0.75 4.35 4.28 2kv1A2 LEU 83 HB2 -0.02 0.06 0.00 -0.04 1.64 1.64 2kv1A2 LEU 83 HB3 -0.06 0.06 -0.03 -0.04 1.64 1.56 2kv1A2 LEU 83 HG 0.03 -0.02 -0.09 -0.04 1.64 1.52 2kv1A2 LEU 83 HD13 0.00 0.02 -0.05 -0.04 0.93 0.86 2kv1A2 LEU 83 HD23 -0.01 0.02 0.05 -0.04 0.89 0.91 2kv1A2 ASN 84 H -0.07 0.17 0.09 -0.55 8.53 8.16 2kv1A2 ASN 84 HA -0.07 0.03 0.27 -0.75 4.76 4.24 2kv1A2 ASN 84 HB2 -0.09 -0.08 -0.32 -0.04 2.88 2.35 2kv1A2 ASN 84 HB3 -0.14 0.16 -0.02 -0.04 2.79 2.76 2kv1A2 ASN 84 HD21 -0.04 -0.04 -0.01 -0.04 7.03 6.90 2kv1A2 ASN 84 HD22 -0.03 0.01 0.01 -0.04 7.74 7.69 2kv1A2 ASP 85 H -0.18 0.06 -0.80 -0.55 8.40 6.92 2kv1A2 ASP 85 HA -0.09 0.15 0.57 -0.75 4.63 4.51 2kv1A2 ASP 85 HB2 -0.39 0.12 -0.08 -0.04 2.71 2.33 2kv1A2 ASP 85 HB3 -0.01 -0.04 -0.04 -0.04 2.70 2.57 2kv1A2 GLY 86 H -0.03 0.01 -0.15 -0.55 8.43 7.72 2kv1A2 GLY 86 HA2 0.00 0.20 0.65 -0.51 4.01 4.35 2kv1A2 GLY 86 HA3 0.01 -0.02 0.22 -0.51 4.01 3.71 2kv1A2 PRO 87 HA -0.01 0.06 0.10 -0.51 4.44 4.08 2kv1A2 PRO 87 HB2 -0.01 0.05 -0.04 -0.04 2.28 2.24 2kv1A2 PRO 87 HB3 -0.02 -0.00 0.03 -0.04 2.02 1.98 2kv1A2 PRO 87 HG2 -0.01 -0.01 -0.00 -0.04 2.03 1.96 2kv1A2 PRO 87 HG3 -0.02 0.11 -0.03 -0.04 2.03 2.05 2kv1A2 PRO 87 HD2 -0.01 0.24 -0.14 -0.04 3.68 3.72 2kv1A2 PRO 87 HD3 -0.03 0.13 -0.54 -0.04 3.65 3.17 2kv1A2 LYS 88 H -0.01 0.04 -0.28 -0.55 8.42 7.63 2kv1A2 LYS 88 HA -0.00 0.15 0.64 -0.75 4.32 4.35 2kv1A2 LYS 88 HB2 -0.00 -0.03 0.02 -0.04 1.87 1.81 2kv1A2 LYS 88 HB3 -0.00 0.00 0.02 -0.04 1.79 1.77 2kv1A2 LYS 88 HG2 -0.00 0.03 0.01 -0.04 1.46 1.45 2kv1A2 LYS 88 HG3 -0.01 -0.04 -0.12 -0.04 1.46 1.25 2kv1A2 LYS 88 HD2 -0.00 0.00 -0.02 -0.04 1.69 1.63 2kv1A2 LYS 88 HD3 -0.00 0.00 -0.02 -0.04 1.68 1.62 2kv1A2 LYS 88 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2kv1A2 LYS 88 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.95 2kv1A2 ARG 89 H -0.00 0.12 -0.11 -0.55 8.46 7.91 2kv1A2 ARG 89 HA -0.00 0.09 0.52 -0.75 4.34 4.20 2kv1A2 ARG 89 HB2 0.00 0.09 0.12 -0.04 1.90 2.06 2kv1A2 ARG 89 HB3 -0.00 -0.14 0.13 -0.04 1.80 1.75 2kv1A2 ARG 89 HG2 -0.01 0.02 0.02 -0.04 1.67 1.66 2kv1A2 ARG 89 HG3 -0.00 0.01 0.06 -0.04 1.67 1.69 2kv1A2 ARG 89 HD2 -0.00 -0.11 -0.29 -0.04 3.22 2.77 2kv1A2 ARG 89 HD3 -0.00 0.02 -0.05 -0.04 3.22 3.15 2kv1A2 GLY 90 H 0.00 0.10 0.13 -0.55 8.43 8.11 2kv1A2 GLY 90 HA2 0.01 0.17 0.57 -0.51 4.01 4.25 2kv1A2 GLY 90 HA3 0.01 -0.01 0.33 -0.51 4.01 3.82 2kv1A2 GLN 91 H 0.01 -0.05 -0.51 -0.55 8.47 7.38 2kv1A2 GLN 91 HA 0.04 0.07 0.35 -0.75 4.36 4.07 2kv1A2 GLN 91 HB2 0.02 0.02 0.01 -0.04 2.15 2.16 2kv1A2 GLN 91 HB3 0.04 0.05 -0.03 -0.04 2.02 2.04 2kv1A2 GLN 91 HG2 -0.01 0.08 -0.00 -0.04 2.40 2.43 2kv1A2 GLN 91 HG3 -0.00 -0.14 -0.02 -0.04 2.39 2.20 2kv1A2 GLN 91 HE21 -0.04 0.04 -0.03 -0.04 6.97 6.90 2kv1A2 GLN 91 HE22 -0.01 0.01 -0.04 -0.04 7.69 7.61 2kv1A2 SER 92 H 0.09 0.52 0.32 -0.55 8.46 8.84 2kv1A2 SER 92 HA 0.07 -0.02 -0.10 -0.75 4.49 3.68 2kv1A2 SER 92 HB2 0.05 0.09 0.27 -0.04 3.95 4.31 2kv1A2 SER 92 HB3 0.09 0.21 0.07 -0.04 3.93 4.26 2kv1A2 ARG 93 H 0.17 0.11 0.06 -0.55 8.46 8.25 2kv1A2 ARG 93 HA 0.27 0.28 0.80 -0.75 4.34 4.94 2kv1A2 ARG 93 HB2 0.32 -0.01 0.24 -0.04 1.90 2.41 2kv1A2 ARG 93 HB3 0.20 0.01 0.08 -0.04 1.80 2.05 2kv1A2 ARG 93 HG2 0.13 0.12 0.02 -0.04 1.67 1.90 2kv1A2 ARG 93 HG3 0.21 -0.10 -0.26 -0.04 1.67 1.48 2kv1A2 ARG 93 HD2 0.23 -0.01 0.01 -0.04 3.22 3.41 2kv1A2 ARG 93 HD3 0.06 0.01 -0.00 -0.04 3.22 3.24 2kv1A2 PHE 94 H 0.37 0.70 0.06 -0.55 8.34 8.92 2kv1A2 PHE 94 HA 0.11 0.19 0.96 -0.75 4.62 5.14 2kv1A2 PHE 94 HB2 0.08 -0.01 -0.29 -0.04 3.15 2.89 2kv1A2 PHE 94 HB3 0.14 -0.01 -0.37 -0.04 3.06 2.79 2kv1A2 PHE 94 HD2 -0.16 0.11 -0.13 -0.04 7.28 7.06 2kv1A2 PHE 94 HE2 -0.30 -0.04 -0.16 -0.04 7.38 6.84 2kv1A2 PHE 94 HZ -0.14 -0.05 -0.15 -0.04 7.32 6.93 2kv1A2 CYS 95 H -0.27 0.74 0.29 -0.55 8.50 8.71 2kv1A2 CYS 95 HA -0.16 0.10 0.81 -0.75 4.58 4.58 2kv1A2 CYS 95 HB2 -0.01 0.04 -0.23 -0.04 2.97 2.74 2kv1A2 CYS 95 HB3 -0.03 -0.04 0.07 -0.04 2.97 2.94 2kv1A2 ILE 96 H -0.37 0.23 0.13 -0.55 8.25 7.69 2kv1A2 ILE 96 HA -0.33 0.12 1.09 -0.75 4.18 4.30 2kv1A2 ILE 96 HB -0.67 -0.04 -0.16 -0.04 1.89 0.98 2kv1A2 ILE 96 HG12 -0.09 0.17 -0.16 -0.04 1.49 1.36 2kv1A2 ILE 96 HG13 -0.11 -0.03 -0.10 -0.04 1.21 0.94 2kv1A2 ILE 96 HG23 -0.33 0.02 -0.11 -0.04 0.93 0.46 2kv1A2 ILE 96 HD13 0.10 -0.02 -0.12 -0.04 0.88 0.80 2kv1A2 PHE 97 H -0.12 0.45 0.27 -0.55 8.34 8.39 2kv1A2 PHE 97 HA -0.38 0.10 0.67 -0.75 4.62 4.26 2kv1A2 PHE 97 HB2 -0.18 0.07 0.24 -0.04 3.15 3.24 2kv1A2 PHE 97 HB3 -0.22 -0.23 0.03 -0.04 3.06 2.61 2kv1A2 PHE 97 HD2 -0.21 0.02 0.16 -0.04 7.28 7.20 2kv1A2 PHE 97 HE2 -0.04 0.02 0.03 -0.04 7.38 7.34 2kv1A2 PHE 97 HZ -0.00 0.01 0.01 -0.04 7.32 7.30 2kv1A2 SER 98 H -0.56 0.20 0.24 -0.55 8.46 7.80 2kv1A2 SER 98 HA -0.27 0.36 0.52 -0.75 4.49 4.35 2kv1A2 SER 98 HB2 -0.24 0.04 0.12 -0.04 3.95 3.82 2kv1A2 SER 98 HB3 -1.40 0.04 0.20 -0.04 3.93 2.73 2kv1A2 SER 99 H -0.13 0.02 -0.29 -0.55 8.46 7.51 2kv1A2 SER 99 HA -0.09 0.12 0.43 -0.75 4.49 4.19 2kv1A2 SER 99 HB2 -0.20 -0.00 0.08 -0.04 3.95 3.79 2kv1A2 SER 99 HB3 -0.18 -0.02 0.02 -0.04 3.93 3.71 2kv1A2 SER 100 H -0.07 0.45 -0.30 -0.55 8.46 7.99 2kv1A2 SER 100 HA -0.06 0.05 0.67 -0.75 4.49 4.41 2kv1A2 SER 100 HB2 -0.03 -0.09 0.08 -0.04 3.95 3.88 2kv1A2 SER 100 HB3 -0.06 0.16 -0.01 -0.04 3.93 3.98 2kv1A2 LEU 101 H -0.14 0.31 -0.09 -0.55 8.37 7.91 2kv1A2 LEU 101 HA -0.16 -0.01 0.50 -0.75 4.35 3.92 2kv1A2 LEU 101 HB2 -0.48 0.15 -0.06 -0.04 1.64 1.21 2kv1A2 LEU 101 HB3 -0.16 -0.14 0.19 -0.04 1.64 1.49 2kv1A2 LEU 101 HG -0.09 -0.11 -0.44 -0.04 1.64 0.95 2kv1A2 LEU 101 HD13 -0.23 0.03 -0.17 -0.04 0.93 0.52 2kv1A2 LEU 101 HD23 -0.04 -0.01 -0.15 -0.04 0.89 0.66 2kv1A2 LYS 102 H -0.23 0.57 0.23 -0.55 8.42 8.44 2kv1A2 LYS 102 HA 0.01 0.13 0.76 -0.75 4.32 4.47 2kv1A2 LYS 102 HB2 0.04 0.06 -0.13 -0.04 1.87 1.80 2kv1A2 LYS 102 HB3 0.02 0.04 -0.02 -0.04 1.79 1.79 2kv1A2 LYS 102 HG2 -0.06 -0.04 -0.13 -0.04 1.46 1.19 2kv1A2 LYS 102 HG3 -0.06 0.03 -0.12 -0.04 1.46 1.28 2kv1A2 LYS 102 HD2 -0.02 0.05 -0.11 -0.04 1.69 1.56 2kv1A2 LYS 102 HD3 -0.00 -0.00 -0.14 -0.04 1.68 1.49 2kv1A2 LYS 102 HE2 0.02 -0.01 -0.05 -0.04 2.99 2.90 2kv1A2 LYS 102 HE3 -0.01 0.02 -0.05 -0.04 2.99 2.91 2kv1A2 PHE 103 H 0.30 0.20 0.19 -0.55 8.34 8.48 2kv1A2 PHE 103 HA 0.26 0.25 0.92 -0.75 4.62 5.30 2kv1A2 PHE 103 HB2 0.37 -0.01 0.03 -0.04 3.15 3.49 2kv1A2 PHE 103 HB3 0.21 -0.02 0.15 -0.04 3.06 3.36 2kv1A2 PHE 103 HD2 0.06 0.00 -0.16 -0.04 7.28 7.15 2kv1A2 PHE 103 HE2 -0.06 0.03 -0.21 -0.04 7.38 7.09 2kv1A2 PHE 103 HZ -0.05 0.01 -0.14 -0.04 7.32 7.10 2kv1A2 VAL 104 H -0.24 0.70 0.22 -0.55 8.24 8.37 2kv1A2 VAL 104 HA -0.18 0.19 0.86 -0.75 4.13 4.25 2kv1A2 VAL 104 HB -0.07 -0.00 -0.10 -0.04 2.12 1.91 2kv1A2 VAL 104 HG13 -0.07 -0.00 -0.07 -0.04 0.97 0.78 2kv1A2 VAL 104 HG23 -0.09 0.02 -0.04 -0.04 0.95 0.80 2kv1A2 PRO 105 HA -0.62 -0.04 0.47 -0.51 4.44 3.74 2kv1A2 PRO 105 HB2 -0.37 0.13 0.01 -0.04 2.28 2.01 2kv1A2 PRO 105 HB3 -0.19 0.02 0.01 -0.04 2.02 1.82 2kv1A2 PRO 105 HG2 -0.20 0.01 0.03 -0.04 2.03 1.83 2kv1A2 PRO 105 HG3 -0.05 0.04 0.03 -0.04 2.03 2.01 2kv1A2 PRO 105 HD2 -0.15 0.09 0.21 -0.04 3.68 3.79 2kv1A2 PRO 105 HD3 -0.26 0.18 -0.07 -0.04 3.65 3.47 2kv1A2 LYS 106 H -0.19 0.65 0.37 -0.55 8.42 8.70 2kv1A2 LYS 106 HA -0.11 0.18 0.78 -0.75 4.32 4.41 2kv1A2 LYS 106 HB2 -0.09 0.02 0.01 -0.04 1.87 1.77 2kv1A2 LYS 106 HB3 -0.06 -0.10 0.04 -0.04 1.79 1.63 2kv1A2 LYS 106 HG2 -0.04 -0.01 0.01 -0.04 1.46 1.39 2kv1A2 LYS 106 HG3 -0.04 -0.13 0.11 -0.04 1.46 1.35 2kv1A2 LYS 106 HD2 -0.09 0.05 -0.18 -0.04 1.69 1.43 2kv1A2 LYS 106 HD3 -0.04 -0.02 -0.03 -0.04 1.68 1.55 2kv1A2 LYS 106 HE2 -0.04 -0.05 0.01 -0.04 2.99 2.87 2kv1A2 LYS 106 HE3 -0.06 -0.02 0.13 -0.04 2.99 3.00 2kv1A2 GLY 107 H -0.06 0.11 0.10 -0.55 8.43 8.04 2kv1A2 GLY 107 HA2 -0.08 0.04 0.49 -0.51 4.01 3.95 2kv1A2 GLY 107 HA3 -0.03 0.11 0.31 -0.51 4.01 3.88 2kv1A2 LYS 108 H -0.03 0.04 0.15 -0.55 8.42 8.02 2kv1A2 LYS 108 HA -0.01 0.22 0.67 -0.75 4.32 4.44 2kv1A2 LYS 108 HB2 -0.01 -0.08 0.14 -0.04 1.87 1.87 2kv1A2 LYS 108 HB3 -0.00 0.07 -0.04 -0.04 1.79 1.78 2kv1A2 LYS 108 HG2 -0.01 0.02 0.00 -0.04 1.46 1.43 2kv1A2 LYS 108 HG3 -0.00 0.06 0.03 -0.04 1.46 1.51 2kv1A2 LYS 108 HD2 -0.01 0.15 -0.24 -0.04 1.69 1.55 2kv1A2 LYS 108 HD3 -0.02 -0.23 -0.13 -0.04 1.68 1.26 2kv1A2 LYS 108 HE2 -0.01 0.02 -0.05 -0.04 2.99 2.91 2kv1A2 LYS 108 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.92 2kv1A2 GLU 109 H -0.01 -0.05 0.09 -0.55 8.60 8.08 2kv1A2 GLU 109 HA 0.01 0.17 0.35 -0.75 4.29 4.07 2kv1A2 GLU 109 HB2 0.01 0.02 0.11 -0.04 2.09 2.19 2kv1A2 GLU 109 HB3 0.01 -0.13 0.19 -0.04 1.99 2.01 2kv1A2 GLU 109 HG2 0.03 0.07 -0.10 -0.04 2.34 2.30 2kv1A2 GLU 109 HG3 0.02 0.06 -0.01 -0.04 2.34 2.37 2kv1A2 ALA 110 H 0.00 0.05 0.07 -0.55 8.40 7.97 2kv1A2 ALA 110 HA 0.08 0.06 0.29 -0.75 4.34 4.01 2kv1A2 ALA 110 HB3 0.05 0.06 -0.06 -0.04 1.41 1.41 2kv1A2 ALA 111 H 0.07 0.02 -0.18 -0.55 8.40 7.76 2kv1A2 ALA 111 HA 0.06 0.02 0.25 -0.75 4.34 3.92 2kv1A2 ALA 111 HB3 0.08 0.04 -0.04 -0.04 1.41 1.45 2kv1A2 ALA 112 H 0.06 0.49 -0.58 -0.55 8.40 7.82 2kv1A2 ALA 112 HA 0.04 -0.02 0.35 -0.75 4.34 3.96 2kv1A2 ALA 112 HB3 0.03 0.06 -0.01 -0.04 1.41 1.45 2kv1A2 SER 113 H 0.04 0.07 -0.06 -0.55 8.46 7.97 2kv1A2 SER 113 HA 0.03 0.18 0.76 -0.75 4.49 4.70 2kv1A2 SER 113 HB2 0.03 -0.02 0.15 -0.04 3.95 4.07 2kv1A2 SER 113 HB3 0.03 0.15 -0.11 -0.04 3.93 3.96 2kv1A2 GLN 114 H 0.04 0.08 0.01 -0.55 8.47 8.05 2kv1A2 GLN 114 HA 0.07 -0.00 0.30 -0.75 4.36 3.97 2kv1A2 GLN 114 HB2 0.04 -0.02 0.12 -0.04 2.15 2.25 2kv1A2 GLN 114 HB3 0.03 0.04 -0.03 -0.04 2.02 2.02 2kv1A2 GLN 114 HG2 0.04 0.02 0.01 -0.04 2.40 2.43 2kv1A2 GLN 114 HG3 0.07 -0.09 0.08 -0.04 2.39 2.41 2kv1A2 GLN 114 HE21 0.05 0.01 0.02 -0.04 6.97 7.00 2kv1A2 GLN 114 HE22 0.06 0.02 0.02 -0.04 7.69 7.75 2kv1A2 GLY 115 H 0.11 0.03 0.09 -0.55 8.43 8.12 2kv1A2 GLY 115 HA2 -0.04 -0.06 0.38 -0.51 4.01 3.79 2kv1A2 GLY 115 HA3 0.01 0.20 0.75 -0.51 4.01 4.46 2kv1A2 HIS 116 H -0.21 0.27 0.22 -0.55 8.41 8.15 2kv1A2 HIS 116 HA -0.02 0.16 0.52 -0.75 4.63 4.54 2kv1A2 HIS 116 HB2 -0.04 -0.07 0.10 -0.04 3.26 3.21 2kv1A2 HIS 116 HB3 -0.01 0.16 -0.00 -0.04 3.20 3.31 2kv1A2 HIS 116 HD2 0.02 -0.03 -0.13 -0.04 6.97 6.78 2kv1A2 HIS 116 HE1 0.33 -0.01 -0.03 -0.04 7.75 7.99 2kv1A2 LEU 117 H 0.05 0.18 0.03 -0.55 8.37 8.08 2kv1A2 LEU 117 HA -0.04 0.15 0.74 -0.75 4.35 4.46 2kv1A2 LEU 117 HB2 -0.01 -0.04 -0.22 -0.04 1.64 1.33 2kv1A2 LEU 117 HB3 -0.01 0.02 0.16 -0.04 1.64 1.77 2kv1A2 LEU 117 HG -0.03 0.06 0.07 -0.04 1.64 1.70 2kv1A2 LEU 117 HD13 -0.01 -0.00 -0.00 -0.04 0.93 0.87 2kv1A2 LEU 117 HD23 -0.01 0.01 0.05 -0.04 0.89 0.90 2kv1A2 GLU 118 H -0.04 0.05 -0.07 -0.55 8.60 7.99 2kv1A2 GLU 118 HA -0.37 0.24 0.77 -0.75 4.29 4.18 2kv1A2 GLU 118 HB2 -0.45 -0.01 0.15 -0.04 2.09 1.73 2kv1A2 GLU 118 HB3 -0.24 0.08 0.06 -0.04 1.99 1.84 2kv1A2 GLU 118 HG2 -0.14 0.09 0.01 -0.04 2.34 2.25 2kv1A2 GLU 118 HG3 -0.06 -0.10 0.01 -0.04 2.34 2.15 2kv1A2 HIS 119 H -0.45 0.18 -0.01 -0.55 8.41 7.58 2kv1A2 HIS 119 HA -0.22 0.02 0.50 -0.75 4.63 4.17 2kv1A2 HIS 119 HB2 -0.06 -0.01 0.03 -0.04 3.26 3.18 2kv1A2 HIS 119 HB3 -0.07 0.14 0.12 -0.04 3.20 3.34 2kv1A2 HIS 119 HD2 -0.04 0.03 0.06 -0.04 6.97 6.97 2kv1A2 HIS 119 HE1 -0.04 0.03 -0.03 -0.04 7.75 7.67 2kv1A2 HIS 120 H -0.73 0.16 0.08 -0.55 8.41 7.37 2kv1A2 HIS 120 HA 0.08 0.09 0.30 -0.75 4.63 4.35 2kv1A2 HIS 120 HB2 0.12 -0.03 0.01 -0.04 3.26 3.32 2kv1A2 HIS 120 HB3 0.05 0.05 0.08 -0.04 3.20 3.34 2kv1A2 HIS 120 HD2 0.08 0.03 -0.01 -0.04 6.97 7.03 2kv1A2 HIS 120 HE1 0.07 0.06 -0.01 -0.04 7.75 7.83 2kv1A2 HIS 121 H 0.31 0.00 -0.17 -0.55 8.41 8.00 2kv1A2 HIS 121 HA 0.14 0.01 0.28 -0.75 4.63 4.30 2kv1A2 HIS 121 HB2 0.11 -0.03 -0.15 -0.04 3.26 3.15 2kv1A2 HIS 121 HB3 0.12 0.11 -0.12 -0.04 3.20 3.26 2kv1A2 HIS 121 HD2 0.05 -0.01 0.02 -0.04 6.97 6.99 2kv1A2 HIS 121 HE1 0.03 -0.02 -0.01 -0.04 7.75 7.71 2kv1A2 HIS 122 H 0.28 -0.11 -0.20 -0.55 8.41 7.83 2kv1A2 HIS 122 HA 0.06 0.16 0.40 -0.75 4.63 4.49 2kv1A2 HIS 122 HB2 0.10 0.01 -0.02 -0.04 3.26 3.31 2kv1A2 HIS 122 HB3 0.08 -0.03 -0.01 -0.04 3.20 3.21 2kv1A2 HIS 122 HD2 0.07 0.00 -0.02 -0.04 6.97 6.98 2kv1A2 HIS 122 HE1 0.02 0.03 0.03 -0.04 7.75 7.78 2kv1A2 HIS 123 H -0.88 0.02 0.12 -0.55 8.41 7.13 2kv1A2 HIS 123 HA -0.35 -0.03 0.33 -0.75 4.63 3.82 2kv1A2 HIS 123 HB2 -0.20 -0.06 -0.21 -0.04 3.26 2.75 2kv1A2 HIS 123 HB3 -0.11 0.14 0.12 -0.04 3.20 3.31 2kv1A2 HIS 123 HD2 -0.08 0.25 0.04 -0.04 6.97 7.14 2kv1A2 HIS 123 HE1 -0.06 -0.00 0.02 -0.04 7.75 7.66 2kv1A2 HIS 124 H -0.32 0.10 0.05 -0.55 8.41 7.70 2kv1A2 HIS 124 HA -0.07 0.20 0.15 -0.75 4.63 4.15 2kv1A2 HIS 124 HB2 -0.11 0.12 -0.08 -0.04 3.26 3.15 2kv1A2 HIS 124 HB3 -0.13 -0.03 0.03 -0.04 3.20 3.02 2kv1A2 HIS 124 HD2 -0.07 0.09 0.06 -0.04 6.97 7.01 2kv1A2 HIS 124 HE1 -0.02 -0.01 0.01 -0.04 7.75 7.68