============================================================================= 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 79.865 57.540 28.558 -99.200 -91.000 PHE 6 1.000 86.439 53.831 37.732 -99.200 -91.000 PHE 7 1.000 85.257 52.067 41.515 -99.200 -91.000 PHE 12 1.000 73.065 53.054 48.587 -99.200 -91.000 HIS 15 0.900 68.368 57.520 45.904 -99.200 -91.000 PHE 16 1.000 62.888 60.474 51.217 -99.200 -91.000 TYR 21 0.840 64.784 40.915 46.053 -99.200 -91.000 TYR 28 0.840 76.778 46.478 51.866 -99.200 -91.000 PHE 31 1.000 67.807 41.987 42.668 -99.200 -91.000 HIS 34 0.900 67.847 52.118 35.625 -99.200 -91.000 TYR 37 0.840 63.293 45.348 32.958 -99.200 -91.000 HIS 39 0.900 54.693 40.562 32.126 -99.200 -91.000 TRP 43 1.040 57.226 29.462 33.819 -99.200 -91.000 TRP6 43 1.020 57.941 27.499 34.999 -99.200 -91.000 PHE 46 1.000 63.997 39.872 39.099 -99.200 -91.000 HIS 51 0.900 78.932 39.090 38.867 -99.200 -91.000 HIS 80 0.900 68.678 28.394 38.927 -99.200 -91.000 PHE 82 1.000 68.410 29.638 28.994 -99.200 -91.000 PHE 94 1.000 69.773 37.647 38.771 -99.200 -91.000 PHE 97 1.000 67.464 28.302 43.789 -99.200 -91.000 PHE 103 1.000 61.159 42.983 49.180 -99.200 -91.000 HIS 116 0.900 62.841 67.244 55.574 -99.200 -91.000 HIS 119 0.900 66.173 66.382 64.708 -99.200 -91.000 HIS 120 0.900 64.224 74.283 64.864 -99.200 -91.000 HIS 121 0.900 64.104 73.904 71.528 -99.200 -91.000 HIS 122 0.900 72.522 72.061 71.520 -99.200 -91.000 HIS 123 0.900 67.349 78.462 75.745 -99.200 -91.000 HIS 124 0.900 75.578 77.184 74.361 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kv1A9 MET 1 HA 0.04 -0.08 0.22 -0.75 4.52 3.94 2kv1A9 MET 1 HB2 0.03 -0.03 -0.01 -0.04 2.15 2.09 2kv1A9 MET 1 HB3 0.05 0.03 -0.07 -0.04 2.03 2.00 2kv1A9 MET 1 HG2 0.03 -0.01 0.04 -0.04 2.63 2.65 2kv1A9 MET 1 HG3 0.02 -0.01 0.03 -0.04 2.56 2.56 2kv1A9 MET 1 HE3 0.01 -0.00 0.01 -0.04 2.10 2.07 2kv1A9 SER 2 H 0.06 0.14 0.14 -0.55 8.46 8.25 2kv1A9 SER 2 HA 0.08 0.15 0.74 -0.75 4.49 4.71 2kv1A9 SER 2 HB2 0.04 -0.04 0.04 -0.04 3.95 3.95 2kv1A9 SER 2 HB3 0.05 0.02 0.10 -0.04 3.93 4.06 2kv1A9 PHE 3 H 0.15 0.18 0.15 -0.55 8.34 8.28 2kv1A9 PHE 3 HA 0.01 0.17 0.74 -0.75 4.62 4.78 2kv1A9 PHE 3 HB2 0.01 0.04 -0.20 -0.04 3.15 2.96 2kv1A9 PHE 3 HB3 0.01 0.01 -0.02 -0.04 3.06 3.02 2kv1A9 PHE 3 HD2 0.01 0.04 0.01 -0.04 7.28 7.30 2kv1A9 PHE 3 HE2 0.01 0.00 0.05 -0.04 7.38 7.41 2kv1A9 PHE 3 HZ 0.01 -0.02 0.05 -0.04 7.32 7.31 2kv1A9 CYS 4 H -1.41 0.23 0.17 -0.55 8.50 6.94 2kv1A9 CYS 4 HA -0.09 0.16 0.81 -0.75 4.58 4.71 2kv1A9 CYS 4 HB2 -0.17 0.06 -0.21 -0.04 2.97 2.61 2kv1A9 CYS 4 HB3 -0.38 -0.01 -0.00 -0.04 2.97 2.54 2kv1A9 SER 5 H -0.01 0.25 0.06 -0.55 8.46 8.21 2kv1A9 SER 5 HA 0.04 0.12 0.70 -0.75 4.49 4.60 2kv1A9 SER 5 HB2 0.09 0.03 -0.04 -0.04 3.95 3.98 2kv1A9 SER 5 HB3 0.05 -0.03 0.11 -0.04 3.93 4.02 2kv1A9 PHE 6 H 0.12 0.16 0.06 -0.55 8.34 8.13 2kv1A9 PHE 6 HA -0.06 0.09 0.62 -0.75 4.62 4.52 2kv1A9 PHE 6 HB2 -0.15 -0.03 0.03 -0.04 3.15 2.96 2kv1A9 PHE 6 HB3 -0.18 0.08 0.04 -0.04 3.06 2.95 2kv1A9 PHE 6 HD2 -0.36 0.12 -0.02 -0.04 7.28 6.98 2kv1A9 PHE 6 HE2 -0.48 0.01 0.01 -0.04 7.38 6.88 2kv1A9 PHE 6 HZ -0.17 0.00 0.01 -0.04 7.32 7.13 2kv1A9 PHE 7 H -1.10 0.07 0.16 -0.55 8.34 6.92 2kv1A9 PHE 7 HA -0.03 0.11 0.38 -0.75 4.62 4.32 2kv1A9 PHE 7 HB2 -0.07 -0.12 0.11 -0.04 3.15 3.03 2kv1A9 PHE 7 HB3 -0.17 0.05 0.08 -0.04 3.06 2.98 2kv1A9 PHE 7 HD2 -0.32 0.01 -0.04 -0.04 7.28 6.89 2kv1A9 PHE 7 HE2 -0.29 0.02 0.00 -0.04 7.38 7.08 2kv1A9 PHE 7 HZ -0.03 0.03 0.01 -0.04 7.32 7.28 2kv1A9 GLY 8 H 0.22 -0.04 0.08 -0.55 8.43 8.14 2kv1A9 GLY 8 HA2 0.16 -0.01 0.32 -0.51 4.01 3.98 2kv1A9 GLY 8 HA3 0.09 0.20 0.66 -0.51 4.01 4.45 2kv1A9 GLY 9 H 0.11 -0.05 0.12 -0.55 8.43 8.07 2kv1A9 GLY 9 HA2 0.04 -0.05 0.43 -0.51 4.01 3.92 2kv1A9 GLY 9 HA3 0.04 0.22 0.62 -0.51 4.01 4.37 2kv1A9 GLU 10 H 0.02 0.07 0.17 -0.55 8.60 8.32 2kv1A9 GLU 10 HA 0.06 0.19 0.73 -0.75 4.29 4.52 2kv1A9 GLU 10 HB2 0.11 0.02 0.15 -0.04 2.09 2.32 2kv1A9 GLU 10 HB3 0.04 -0.07 0.05 -0.04 1.99 1.97 2kv1A9 GLU 10 HG2 0.15 0.04 -0.00 -0.04 2.34 2.48 2kv1A9 GLU 10 HG3 0.31 0.05 0.05 -0.04 2.34 2.71 2kv1A9 VAL 11 H 0.00 0.04 0.22 -0.55 8.24 7.95 2kv1A9 VAL 11 HA -0.15 0.24 0.78 -0.75 4.13 4.24 2kv1A9 VAL 11 HB 0.03 -0.00 0.06 -0.04 2.12 2.17 2kv1A9 VAL 11 HG13 -0.00 0.01 0.03 -0.04 0.97 0.97 2kv1A9 VAL 11 HG23 0.01 0.04 -0.13 -0.04 0.95 0.83 2kv1A9 PHE 12 H -0.07 -0.01 0.14 -0.55 8.34 7.85 2kv1A9 PHE 12 HA -1.42 0.06 0.20 -0.75 4.62 2.70 2kv1A9 PHE 12 HB2 -0.23 0.07 0.11 -0.04 3.15 3.05 2kv1A9 PHE 12 HB3 -0.17 -0.02 0.15 -0.04 3.06 2.98 2kv1A9 PHE 12 HD2 -0.08 -0.02 -0.14 -0.04 7.28 7.00 2kv1A9 PHE 12 HE2 -0.05 0.02 -0.02 -0.04 7.38 7.29 2kv1A9 PHE 12 HZ -0.04 0.03 0.01 -0.04 7.32 7.28 2kv1A9 GLN 13 H -0.84 0.04 -0.45 -0.55 8.47 6.68 2kv1A9 GLN 13 HA -0.24 0.08 0.44 -0.75 4.36 3.89 2kv1A9 GLN 13 HB2 -0.32 0.04 -0.02 -0.04 2.15 1.81 2kv1A9 GLN 13 HB3 -0.23 0.05 0.06 -0.04 2.02 1.85 2kv1A9 GLN 13 HG2 -0.91 -0.12 -0.04 -0.04 2.40 1.29 2kv1A9 GLN 13 HG3 -0.34 0.03 -0.01 -0.04 2.39 2.03 2kv1A9 GLN 13 HE21 -0.21 -0.01 -0.00 -0.04 6.97 6.70 2kv1A9 GLN 13 HE22 -0.09 0.02 0.01 -0.04 7.69 7.59 2kv1A9 ASN 14 H -0.27 0.49 -0.17 -0.55 8.53 8.03 2kv1A9 ASN 14 HA -0.21 0.14 0.68 -0.75 4.76 4.62 2kv1A9 ASN 14 HB2 -0.11 0.10 0.14 -0.04 2.88 2.97 2kv1A9 ASN 14 HB3 -0.05 -0.05 0.05 -0.04 2.79 2.71 2kv1A9 ASN 14 HD21 -0.13 -0.06 -0.11 -0.04 7.03 6.69 2kv1A9 ASN 14 HD22 -0.08 -0.01 -0.02 -0.04 7.74 7.59 2kv1A9 HIS 15 H -0.16 0.43 -0.20 -0.55 8.41 7.93 2kv1A9 HIS 15 HA -0.20 0.05 0.57 -0.75 4.63 4.30 2kv1A9 HIS 15 HB2 0.02 0.14 0.08 -0.04 3.26 3.46 2kv1A9 HIS 15 HB3 0.03 -0.15 0.12 -0.04 3.20 3.16 2kv1A9 HIS 15 HD2 -0.01 0.04 -0.24 -0.04 6.97 6.72 2kv1A9 HIS 15 HE1 0.12 -0.02 0.00 -0.04 7.75 7.80 2kv1A9 PHE 16 H 0.16 0.09 0.10 -0.55 8.34 8.14 2kv1A9 PHE 16 HA 0.06 0.24 0.73 -0.75 4.62 4.90 2kv1A9 PHE 16 HB2 0.04 -0.16 0.06 -0.04 3.15 3.05 2kv1A9 PHE 16 HB3 0.04 -0.02 0.21 -0.04 3.06 3.25 2kv1A9 PHE 16 HD2 0.05 -0.08 -0.01 -0.04 7.28 7.19 2kv1A9 PHE 16 HE2 0.07 0.00 0.07 -0.04 7.38 7.48 2kv1A9 PHE 16 HZ 0.08 -0.03 0.02 -0.04 7.32 7.35 2kv1A9 GLU 17 H 0.14 0.08 -0.19 -0.55 8.60 8.08 2kv1A9 GLU 17 HA 0.10 0.03 0.14 -0.75 4.29 3.81 2kv1A9 GLU 17 HB2 0.09 0.01 -0.01 -0.04 2.09 2.15 2kv1A9 GLU 17 HB3 0.07 0.18 0.02 -0.04 1.99 2.22 2kv1A9 GLU 17 HG2 0.08 -0.02 0.04 -0.04 2.34 2.40 2kv1A9 GLU 17 HG3 0.23 -0.07 0.04 -0.04 2.34 2.50 2kv1A9 PRO 18 HA 0.04 -0.00 0.64 -0.51 4.44 4.61 2kv1A9 PRO 18 HB2 0.06 0.09 0.01 -0.04 2.28 2.40 2kv1A9 PRO 18 HB3 0.05 0.02 0.13 -0.04 2.02 2.17 2kv1A9 PRO 18 HG2 0.05 0.05 0.02 -0.04 2.03 2.11 2kv1A9 PRO 18 HG3 0.04 0.09 0.02 -0.04 2.03 2.14 2kv1A9 PRO 18 HD2 0.06 0.03 0.13 -0.04 3.68 3.85 2kv1A9 PRO 18 HD3 0.05 0.21 -0.28 -0.04 3.65 3.59 2kv1A9 GLY 19 H 0.04 0.02 0.19 -0.55 8.43 8.13 2kv1A9 GLY 19 HA2 -0.20 0.07 0.20 -0.51 4.01 3.58 2kv1A9 GLY 19 HA3 -0.23 -0.01 0.36 -0.51 4.01 3.61 2kv1A9 VAL 20 H -0.64 0.70 0.25 -0.55 8.24 8.00 2kv1A9 VAL 20 HA -0.11 0.16 0.71 -0.75 4.13 4.14 2kv1A9 VAL 20 HB -0.08 0.09 -0.21 -0.04 2.12 1.88 2kv1A9 VAL 20 HG13 -0.14 0.05 -0.18 -0.04 0.97 0.67 2kv1A9 VAL 20 HG23 0.09 0.04 -0.06 -0.04 0.95 0.99 2kv1A9 TYR 21 H 0.14 0.11 0.05 -0.55 8.29 8.04 2kv1A9 TYR 21 HA 0.02 0.30 1.01 -0.75 4.56 5.14 2kv1A9 TYR 21 HB2 0.24 0.03 0.10 -0.04 3.06 3.40 2kv1A9 TYR 21 HB3 0.16 0.02 0.07 -0.04 2.98 3.19 2kv1A9 TYR 21 HD2 -0.17 0.05 -0.12 -0.04 7.15 6.86 2kv1A9 TYR 21 HE2 -0.20 0.02 -0.13 -0.04 6.85 6.50 2kv1A9 VAL 22 H 0.20 0.77 0.28 -0.55 8.24 8.94 2kv1A9 VAL 22 HA 0.12 0.20 0.70 -0.75 4.13 4.39 2kv1A9 VAL 22 HB 0.04 0.03 -0.40 -0.04 2.12 1.75 2kv1A9 VAL 22 HG13 -0.03 0.02 -0.40 -0.04 0.97 0.51 2kv1A9 VAL 22 HG23 0.04 0.04 -0.30 -0.04 0.95 0.69 2kv1A9 CYS 23 H 0.12 0.40 0.09 -0.55 8.50 8.56 2kv1A9 CYS 23 HA 0.11 0.10 0.48 -0.75 4.58 4.52 2kv1A9 CYS 23 HB2 0.10 0.16 0.16 -0.04 2.97 3.35 2kv1A9 CYS 23 HB3 0.09 -0.25 0.17 -0.04 2.97 2.93 2kv1A9 ALA 24 H 0.08 0.19 0.31 -0.55 8.40 8.44 2kv1A9 ALA 24 HA 0.06 0.15 0.40 -0.75 4.34 4.20 2kv1A9 ALA 24 HB3 0.05 0.01 -0.07 -0.04 1.41 1.36 2kv1A9 LYS 25 H 0.04 -0.15 -0.09 -0.55 8.42 7.67 2kv1A9 LYS 25 HA 0.02 0.27 0.75 -0.75 4.32 4.61 2kv1A9 LYS 25 HB2 0.02 -0.14 0.10 -0.04 1.87 1.82 2kv1A9 LYS 25 HB3 0.02 0.04 -0.00 -0.04 1.79 1.81 2kv1A9 LYS 25 HG2 0.01 0.06 0.03 -0.04 1.46 1.52 2kv1A9 LYS 25 HG3 0.01 0.02 -0.14 -0.04 1.46 1.32 2kv1A9 LYS 25 HD2 0.00 0.04 -0.06 -0.04 1.69 1.64 2kv1A9 LYS 25 HD3 0.01 -0.11 -0.11 -0.04 1.68 1.42 2kv1A9 LYS 25 HE2 0.00 0.39 0.05 -0.04 2.99 3.38 2kv1A9 LYS 25 HE3 0.01 -0.09 0.02 -0.04 2.99 2.88 2kv1A9 CYS 26 H 0.04 -0.10 0.03 -0.55 8.50 7.93 2kv1A9 CYS 26 HA 0.04 0.23 0.23 -0.75 4.58 4.33 2kv1A9 CYS 26 HB2 0.07 -0.10 0.08 -0.04 2.97 2.98 2kv1A9 CYS 26 HB3 0.05 0.09 0.08 -0.04 2.97 3.15 2kv1A9 SER 27 H 0.07 0.07 -0.17 -0.55 8.46 7.89 2kv1A9 SER 27 HA 0.06 0.13 0.20 -0.75 4.49 4.13 2kv1A9 SER 27 HB2 0.02 -0.02 0.08 -0.04 3.95 3.99 2kv1A9 SER 27 HB3 0.03 0.09 -0.14 -0.04 3.93 3.87 2kv1A9 TYR 28 H 0.18 -0.11 -0.71 -0.55 8.29 7.09 2kv1A9 TYR 28 HA 0.02 0.15 0.58 -0.75 4.56 4.56 2kv1A9 TYR 28 HB2 0.01 0.10 0.03 -0.04 3.06 3.16 2kv1A9 TYR 28 HB3 0.01 -0.10 -0.00 -0.04 2.98 2.84 2kv1A9 TYR 28 HD2 0.01 0.02 -0.15 -0.04 7.15 6.99 2kv1A9 TYR 28 HE2 0.03 0.01 -0.02 -0.04 6.85 6.83 2kv1A9 GLU 29 H -0.50 0.15 0.15 -0.55 8.60 7.85 2kv1A9 GLU 29 HA 0.02 0.20 0.49 -0.75 4.29 4.25 2kv1A9 GLU 29 HB2 -0.14 -0.06 0.14 -0.04 2.09 2.00 2kv1A9 GLU 29 HB3 -0.07 0.07 -0.05 -0.04 1.99 1.89 2kv1A9 GLU 29 HG2 -0.07 0.11 -0.15 -0.04 2.34 2.19 2kv1A9 GLU 29 HG3 -0.20 -0.06 0.11 -0.04 2.34 2.15 2kv1A9 LEU 30 H 0.12 0.61 0.31 -0.55 8.37 8.86 2kv1A9 LEU 30 HA -0.02 0.03 0.56 -0.75 4.35 4.16 2kv1A9 LEU 30 HB2 -0.01 -0.08 -0.05 -0.04 1.64 1.47 2kv1A9 LEU 30 HB3 0.03 0.13 0.01 -0.04 1.64 1.77 2kv1A9 LEU 30 HG 0.20 -0.00 -0.44 -0.04 1.64 1.36 2kv1A9 LEU 30 HD13 0.08 -0.01 -0.09 -0.04 0.93 0.87 2kv1A9 LEU 30 HD23 0.03 -0.01 -0.12 -0.04 0.89 0.75 2kv1A9 PHE 31 H 0.06 0.20 0.08 -0.55 8.34 8.13 2kv1A9 PHE 31 HA 0.03 -0.07 0.22 -0.75 4.62 4.05 2kv1A9 PHE 31 HB2 0.25 0.01 0.08 -0.04 3.15 3.45 2kv1A9 PHE 31 HB3 0.15 0.07 -0.02 -0.04 3.06 3.22 2kv1A9 PHE 31 HD2 -0.02 0.16 0.01 -0.04 7.28 7.40 2kv1A9 PHE 31 HE2 -0.25 0.01 -0.04 -0.04 7.38 7.05 2kv1A9 PHE 31 HZ 0.24 0.01 -0.04 -0.04 7.32 7.49 2kv1A9 SER 32 H -0.27 0.07 0.09 -0.55 8.46 7.81 2kv1A9 SER 32 HA 0.05 0.12 0.71 -0.75 4.49 4.61 2kv1A9 SER 32 HB2 -0.03 0.06 0.05 -0.04 3.95 3.99 2kv1A9 SER 32 HB3 -0.09 -0.00 0.02 -0.04 3.93 3.82 2kv1A9 SER 33 H 0.10 0.13 0.21 -0.55 8.46 8.35 2kv1A9 SER 33 HA 0.03 0.23 0.68 -0.75 4.49 4.67 2kv1A9 SER 33 HB2 0.01 -0.05 0.16 -0.04 3.95 4.02 2kv1A9 SER 33 HB3 -0.01 0.09 0.10 -0.04 3.93 4.06 2kv1A9 HIS 34 H 0.19 0.00 0.02 -0.55 8.41 8.08 2kv1A9 HIS 34 HA 0.20 0.16 0.41 -0.75 4.63 4.64 2kv1A9 HIS 34 HB2 0.06 -0.07 0.03 -0.04 3.26 3.25 2kv1A9 HIS 34 HB3 0.11 0.08 0.05 -0.04 3.20 3.39 2kv1A9 HIS 34 HD2 0.09 0.05 0.02 -0.04 6.97 7.08 2kv1A9 HIS 34 HE1 0.06 0.00 0.01 -0.04 7.75 7.77 2kv1A9 SER 35 H 0.05 -0.00 -0.69 -0.55 8.46 7.27 2kv1A9 SER 35 HA 0.00 0.10 0.55 -0.75 4.49 4.39 2kv1A9 SER 35 HB2 0.01 0.20 -0.16 -0.04 3.95 3.96 2kv1A9 SER 35 HB3 -0.00 -0.10 -0.32 -0.04 3.93 3.47 2kv1A9 LYS 36 H -0.22 0.32 -0.21 -0.55 8.42 7.75 2kv1A9 LYS 36 HA -0.42 0.06 0.91 -0.75 4.32 4.12 2kv1A9 LYS 36 HB2 -1.11 0.04 -0.05 -0.04 1.87 0.72 2kv1A9 LYS 36 HB3 -1.02 -0.04 -0.12 -0.04 1.79 0.58 2kv1A9 LYS 36 HG2 -0.04 -0.01 -0.02 -0.04 1.46 1.35 2kv1A9 LYS 36 HG3 -0.11 -0.02 0.24 -0.04 1.46 1.53 2kv1A9 LYS 36 HD2 -0.10 0.01 -0.10 -0.04 1.69 1.46 2kv1A9 LYS 36 HD3 -0.23 -0.00 -0.10 -0.04 1.68 1.31 2kv1A9 LYS 36 HE2 0.11 -0.02 -0.14 -0.04 2.99 2.90 2kv1A9 LYS 36 HE3 0.04 -0.11 -0.01 -0.04 2.99 2.87 2kv1A9 TYR 37 H -0.09 0.19 0.17 -0.55 8.29 8.01 2kv1A9 TYR 37 HA 0.06 0.15 0.84 -0.75 4.56 4.86 2kv1A9 TYR 37 HB2 0.14 0.04 -0.03 -0.04 3.06 3.17 2kv1A9 TYR 37 HB3 0.10 0.00 0.05 -0.04 2.98 3.09 2kv1A9 TYR 37 HD2 0.08 0.07 -0.14 -0.04 7.15 7.12 2kv1A9 TYR 37 HE2 0.09 0.02 -0.08 -0.04 6.85 6.84 2kv1A9 ALA 38 H 0.20 0.11 0.16 -0.55 8.40 8.33 2kv1A9 ALA 38 HA 0.13 0.07 0.51 -0.75 4.34 4.30 2kv1A9 ALA 38 HB3 0.06 0.01 0.08 -0.04 1.41 1.52 2kv1A9 HIS 39 H 0.15 0.32 0.27 -0.55 8.41 8.60 2kv1A9 HIS 39 HA 0.05 0.04 0.30 -0.75 4.63 4.26 2kv1A9 HIS 39 HB2 0.09 0.05 -0.20 -0.04 3.26 3.16 2kv1A9 HIS 39 HB3 0.05 0.02 -0.17 -0.04 3.20 3.05 2kv1A9 HIS 39 HD2 0.08 0.11 0.04 -0.04 6.97 7.15 2kv1A9 HIS 39 HE1 0.03 -0.02 0.01 -0.04 7.75 7.73 2kv1A9 SER 40 H -0.02 0.20 0.06 -0.55 8.46 8.15 2kv1A9 SER 40 HA 0.03 0.16 0.91 -0.75 4.49 4.83 2kv1A9 SER 40 HB2 -0.01 0.01 0.03 -0.04 3.95 3.94 2kv1A9 SER 40 HB3 -0.02 -0.02 0.19 -0.04 3.93 4.04 2kv1A9 SER 41 H 0.02 0.33 0.10 -0.55 8.46 8.36 2kv1A9 SER 41 HA -0.00 0.05 0.45 -0.75 4.49 4.23 2kv1A9 SER 41 HB2 0.15 -0.05 -0.32 -0.04 3.95 3.69 2kv1A9 SER 41 HB3 0.04 0.15 -0.13 -0.04 3.93 3.96 2kv1A9 PRO 42 HA -0.37 0.09 0.64 -0.51 4.44 4.29 2kv1A9 PRO 42 HB2 -1.67 -0.01 0.08 -0.04 2.28 0.63 2kv1A9 PRO 42 HB3 -0.59 0.02 0.15 -0.04 2.02 1.56 2kv1A9 PRO 42 HG2 -0.18 0.05 -0.02 -0.04 2.03 1.84 2kv1A9 PRO 42 HG3 -0.23 0.04 0.05 -0.04 2.03 1.85 2kv1A9 PRO 42 HD2 -0.06 0.12 0.22 -0.04 3.68 3.92 2kv1A9 PRO 42 HD3 -0.15 0.11 0.10 -0.04 3.65 3.67 2kv1A9 TRP 43 H -0.81 0.06 0.10 -0.55 7.97 6.77 2kv1A9 TRP 43 HA -0.14 -0.00 0.26 -0.75 4.62 3.99 2kv1A9 TRP 43 HB2 -0.10 0.15 -0.04 -0.04 3.23 3.19 2kv1A9 TRP 43 HB3 -0.14 -0.01 0.08 -0.04 3.23 3.12 2kv1A9 TRP 43 HD1 -0.07 0.07 -0.21 -0.04 7.22 6.97 2kv1A9 TRP 43 HE1 -0.05 0.01 -0.05 -0.04 10.20 10.07 2kv1A9 TRP 43 HE3 -0.13 0.03 0.02 -0.04 7.59 7.48 2kv1A9 TRP 43 HZ2 -0.05 0.00 -0.01 -0.04 7.44 7.34 2kv1A9 TRP 43 HZ3 -0.09 0.00 -0.00 -0.04 7.13 7.00 2kv1A9 TRP 43 HH2 -0.05 -0.00 -0.00 -0.04 7.19 7.09 2kv1A9 PRO 44 HA -0.08 0.08 0.38 -0.51 4.44 4.30 2kv1A9 PRO 44 HB2 -0.19 -0.01 0.01 -0.04 2.28 2.05 2kv1A9 PRO 44 HB3 -0.07 0.10 0.06 -0.04 2.02 2.07 2kv1A9 PRO 44 HG2 -0.17 -0.02 0.14 -0.04 2.03 1.94 2kv1A9 PRO 44 HG3 -0.12 0.04 0.08 -0.04 2.03 1.99 2kv1A9 PRO 44 HD2 -0.14 -0.04 0.11 -0.04 3.68 3.57 2kv1A9 PRO 44 HD3 -0.14 0.19 -0.19 -0.04 3.65 3.46 2kv1A9 ALA 45 H -0.19 0.28 0.29 -0.55 8.40 8.23 2kv1A9 ALA 45 HA -0.71 0.04 0.80 -0.75 4.34 3.72 2kv1A9 ALA 45 HB3 -0.17 0.01 -0.18 -0.04 1.41 1.04 2kv1A9 PHE 46 H -0.33 0.62 0.38 -0.55 8.34 8.46 2kv1A9 PHE 46 HA -0.04 0.09 0.72 -0.75 4.62 4.64 2kv1A9 PHE 46 HB2 0.16 -0.01 0.13 -0.04 3.15 3.40 2kv1A9 PHE 46 HB3 0.09 0.18 0.08 -0.04 3.06 3.37 2kv1A9 PHE 46 HD2 -0.05 0.01 -0.05 -0.04 7.28 7.15 2kv1A9 PHE 46 HE2 -0.21 0.02 -0.07 -0.04 7.38 7.08 2kv1A9 PHE 46 HZ -0.12 0.02 -0.08 -0.04 7.32 7.10 2kv1A9 THR 47 H 0.11 0.33 0.35 -0.55 8.28 8.52 2kv1A9 THR 47 HA 0.17 0.25 0.56 -0.75 4.39 4.62 2kv1A9 THR 47 HB 0.16 -0.01 0.05 -0.04 4.32 4.48 2kv1A9 THR 47 HG23 0.23 0.02 0.14 -0.04 1.22 1.57 2kv1A9 GLU 48 H 0.15 0.19 0.08 -0.55 8.60 8.47 2kv1A9 GLU 48 HA 0.05 0.17 0.68 -0.75 4.29 4.43 2kv1A9 GLU 48 HB2 0.00 -0.01 0.00 -0.04 2.09 2.04 2kv1A9 GLU 48 HB3 0.04 0.11 -0.06 -0.04 1.99 2.03 2kv1A9 GLU 48 HG2 0.11 0.06 -0.11 -0.04 2.34 2.37 2kv1A9 GLU 48 HG3 0.08 -0.04 0.06 -0.04 2.34 2.39 2kv1A9 THR 49 H -0.12 0.29 0.11 -0.55 8.28 8.01 2kv1A9 THR 49 HA -0.32 0.15 0.71 -0.75 4.39 4.17 2kv1A9 THR 49 HB -1.57 0.13 -0.07 -0.04 4.32 2.76 2kv1A9 THR 49 HG23 -0.35 0.04 -0.12 -0.04 1.22 0.75 2kv1A9 ILE 50 H -0.38 0.15 0.10 -0.55 8.25 7.58 2kv1A9 ILE 50 HA -0.12 0.11 0.47 -0.75 4.18 3.89 2kv1A9 ILE 50 HB -0.18 0.04 -0.07 -0.04 1.89 1.64 2kv1A9 ILE 50 HG12 -0.24 -0.03 -0.03 -0.04 1.49 1.16 2kv1A9 ILE 50 HG13 -0.35 -0.07 0.10 -0.04 1.21 0.85 2kv1A9 ILE 50 HG23 -0.10 0.01 -0.03 -0.04 0.93 0.77 2kv1A9 ILE 50 HD13 -0.81 0.05 0.02 -0.04 0.88 0.10 2kv1A9 HIS 51 H -0.18 -0.09 -0.36 -0.55 8.41 7.24 2kv1A9 HIS 51 HA -0.15 -0.02 0.19 -0.75 4.63 3.91 2kv1A9 HIS 51 HB2 -0.20 -0.07 -0.11 -0.04 3.26 2.84 2kv1A9 HIS 51 HB3 -0.13 0.09 -0.06 -0.04 3.20 3.06 2kv1A9 HIS 51 HD2 -0.13 -0.03 -0.15 -0.04 6.97 6.62 2kv1A9 HIS 51 HE1 -0.06 0.17 -0.07 -0.04 7.75 7.74 2kv1A9 PRO 52 HA -0.05 0.17 0.63 -0.51 4.44 4.69 2kv1A9 PRO 52 HB2 -0.10 -0.09 0.01 -0.04 2.28 2.06 2kv1A9 PRO 52 HB3 -0.09 0.10 0.06 -0.04 2.02 2.05 2kv1A9 PRO 52 HG2 -0.12 -0.08 -0.03 -0.04 2.03 1.76 2kv1A9 PRO 52 HG3 -0.08 0.07 -0.04 -0.04 2.03 1.93 2kv1A9 PRO 52 HD2 -0.17 0.02 0.02 -0.04 3.68 3.51 2kv1A9 PRO 52 HD3 -0.10 0.11 -0.26 -0.04 3.65 3.36 2kv1A9 ASP 53 H -0.06 0.16 0.15 -0.55 8.40 8.11 2kv1A9 ASP 53 HA 0.04 0.24 0.44 -0.75 4.63 4.59 2kv1A9 ASP 53 HB2 -0.03 0.05 0.17 -0.04 2.71 2.85 2kv1A9 ASP 53 HB3 -0.03 0.05 0.13 -0.04 2.70 2.80 2kv1A9 SER 54 H -0.08 -0.04 -0.71 -0.55 8.46 7.08 2kv1A9 SER 54 HA -0.07 0.17 0.68 -0.75 4.49 4.52 2kv1A9 SER 54 HB2 -0.11 -0.04 -0.02 -0.04 3.95 3.73 2kv1A9 SER 54 HB3 -0.09 -0.07 -0.03 -0.04 3.93 3.70 2kv1A9 VAL 55 H -0.12 0.43 -0.14 -0.55 8.24 7.86 2kv1A9 VAL 55 HA -0.10 -0.07 0.93 -0.75 4.13 4.14 2kv1A9 VAL 55 HB -0.20 0.10 0.14 -0.04 2.12 2.12 2kv1A9 VAL 55 HG13 -0.10 -0.04 -0.11 -0.04 0.97 0.67 2kv1A9 VAL 55 HG23 -0.56 0.03 -0.11 -0.04 0.95 0.26 2kv1A9 THR 56 H -0.12 0.51 0.37 -0.55 8.28 8.49 2kv1A9 THR 56 HA 0.12 0.15 0.43 -0.75 4.39 4.32 2kv1A9 THR 56 HB 0.03 0.13 -0.16 -0.04 4.32 4.28 2kv1A9 THR 56 HG23 0.00 -0.02 -0.13 -0.04 1.22 1.04 2kv1A9 LYS 57 H 0.11 0.29 0.21 -0.55 8.42 8.47 2kv1A9 LYS 57 HA 0.04 -0.03 0.93 -0.75 4.32 4.50 2kv1A9 LYS 57 HB2 0.06 0.17 0.08 -0.04 1.87 2.14 2kv1A9 LYS 57 HB3 0.07 -0.08 0.00 -0.04 1.79 1.75 2kv1A9 LYS 57 HG2 0.08 0.02 -0.10 -0.04 1.46 1.42 2kv1A9 LYS 57 HG3 0.28 -0.08 -0.15 -0.04 1.46 1.46 2kv1A9 LYS 57 HD2 0.04 0.06 -0.15 -0.04 1.69 1.60 2kv1A9 LYS 57 HD3 0.01 0.03 -0.06 -0.04 1.68 1.61 2kv1A9 LYS 57 HE2 0.09 -0.09 0.21 -0.04 2.99 3.16 2kv1A9 LYS 57 HE3 0.01 0.04 0.04 -0.04 2.99 3.04 2kv1A9 CYS 58 H 0.05 0.79 0.34 -0.55 8.50 9.14 2kv1A9 CYS 58 HA 0.03 0.16 0.83 -0.75 4.58 4.85 2kv1A9 CYS 58 HB2 0.02 0.10 0.01 -0.04 2.97 3.06 2kv1A9 CYS 58 HB3 0.02 0.05 -0.29 -0.04 2.97 2.71 2kv1A9 PRO 59 HA 0.04 0.04 0.53 -0.51 4.44 4.54 2kv1A9 PRO 59 HB2 0.02 0.19 0.04 -0.04 2.28 2.48 2kv1A9 PRO 59 HB3 0.01 0.02 0.12 -0.04 2.02 2.13 2kv1A9 PRO 59 HG2 0.02 0.02 0.07 -0.04 2.03 2.09 2kv1A9 PRO 59 HG3 0.01 0.05 0.08 -0.04 2.03 2.13 2kv1A9 PRO 59 HD2 0.02 0.09 0.23 -0.04 3.68 3.98 2kv1A9 PRO 59 HD3 0.02 0.14 0.22 -0.04 3.65 3.98 2kv1A9 GLU 60 H 0.05 0.42 0.35 -0.55 8.60 8.88 2kv1A9 GLU 60 HA 0.06 0.07 0.76 -0.75 4.29 4.42 2kv1A9 GLU 60 HB2 0.06 0.18 -0.04 -0.04 2.09 2.25 2kv1A9 GLU 60 HB3 0.07 -0.23 0.07 -0.04 1.99 1.85 2kv1A9 GLU 60 HG2 0.11 -0.03 -0.20 -0.04 2.34 2.18 2kv1A9 GLU 60 HG3 0.11 0.05 -0.05 -0.04 2.34 2.41 2kv1A9 LYS 61 H 0.04 0.12 0.17 -0.55 8.42 8.20 2kv1A9 LYS 61 HA 0.02 0.25 0.62 -0.75 4.32 4.45 2kv1A9 LYS 61 HB2 0.03 0.06 -0.02 -0.04 1.87 1.89 2kv1A9 LYS 61 HB3 0.02 -0.01 0.02 -0.04 1.79 1.78 2kv1A9 LYS 61 HG2 0.02 0.00 -0.01 -0.04 1.46 1.42 2kv1A9 LYS 61 HG3 0.01 0.01 0.04 -0.04 1.46 1.48 2kv1A9 LYS 61 HD2 0.01 0.04 0.01 -0.04 1.69 1.71 2kv1A9 LYS 61 HD3 0.02 0.03 -0.08 -0.04 1.68 1.60 2kv1A9 LYS 61 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2kv1A9 LYS 61 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2kv1A9 ASN 62 H 0.03 -0.04 0.14 -0.55 8.53 8.12 2kv1A9 ASN 62 HA 0.02 0.22 0.66 -0.75 4.76 4.91 2kv1A9 ASN 62 HB2 0.02 0.03 0.13 -0.04 2.88 3.02 2kv1A9 ASN 62 HB3 0.02 0.08 0.05 -0.04 2.79 2.89 2kv1A9 ASN 62 HD21 0.02 0.03 -0.18 -0.04 7.03 6.86 2kv1A9 ASN 62 HD22 0.02 0.05 -0.04 -0.04 7.74 7.74 2kv1A9 ARG 63 H 0.04 -0.04 -0.22 -0.55 8.46 7.68 2kv1A9 ARG 63 HA 0.03 0.26 0.69 -0.75 4.34 4.56 2kv1A9 ARG 63 HB2 0.06 -0.05 0.13 -0.04 1.90 1.99 2kv1A9 ARG 63 HB3 0.04 0.04 0.11 -0.04 1.80 1.95 2kv1A9 ARG 63 HG2 0.03 0.25 -0.26 -0.04 1.67 1.65 2kv1A9 ARG 63 HG3 0.05 -0.14 -0.25 -0.04 1.67 1.29 2kv1A9 ARG 63 HD2 0.02 0.03 -0.03 -0.04 3.22 3.21 2kv1A9 ARG 63 HD3 0.05 0.02 -0.06 -0.04 3.22 3.19 2kv1A9 PRO 64 HA 0.02 0.15 0.11 -0.51 4.44 4.20 2kv1A9 PRO 64 HB2 0.00 0.05 0.17 -0.04 2.28 2.45 2kv1A9 PRO 64 HB3 0.01 0.07 -0.00 -0.04 2.02 2.06 2kv1A9 PRO 64 HG2 0.01 0.05 -0.05 -0.04 2.03 1.99 2kv1A9 PRO 64 HG3 0.01 0.06 -0.05 -0.04 2.03 2.01 2kv1A9 PRO 64 HD2 0.02 0.15 -0.11 -0.04 3.68 3.70 2kv1A9 PRO 64 HD3 0.02 0.04 -0.37 -0.04 3.65 3.30 2kv1A9 GLU 65 H 0.03 0.52 -0.09 -0.55 8.60 8.51 2kv1A9 GLU 65 HA -0.04 0.19 0.76 -0.75 4.29 4.45 2kv1A9 GLU 65 HB2 0.10 -0.01 -0.05 -0.04 2.09 2.09 2kv1A9 GLU 65 HB3 0.05 0.01 0.10 -0.04 1.99 2.11 2kv1A9 GLU 65 HG2 0.01 0.11 -0.38 -0.04 2.34 2.05 2kv1A9 GLU 65 HG3 0.03 -0.07 -0.28 -0.04 2.34 1.98 2kv1A9 ALA 66 H 0.03 0.26 0.29 -0.55 8.40 8.42 2kv1A9 ALA 66 HA 0.02 0.04 0.80 -0.75 4.34 4.44 2kv1A9 ALA 66 HB3 0.19 0.03 -0.03 -0.04 1.41 1.56 2kv1A9 LEU 67 H 0.11 0.56 0.40 -0.55 8.37 8.89 2kv1A9 LEU 67 HA 0.07 0.01 0.91 -0.75 4.35 4.59 2kv1A9 LEU 67 HB2 0.08 -0.01 0.11 -0.04 1.64 1.78 2kv1A9 LEU 67 HB3 0.06 0.14 -0.01 -0.04 1.64 1.78 2kv1A9 LEU 67 HG 0.02 -0.01 -0.11 -0.04 1.64 1.49 2kv1A9 LEU 67 HD13 0.01 0.01 -0.16 -0.04 0.93 0.75 2kv1A9 LEU 67 HD23 -0.01 -0.01 -0.15 -0.04 0.89 0.68 2kv1A9 LYS 68 H 0.09 0.63 0.32 -0.55 8.42 8.90 2kv1A9 LYS 68 HA 0.10 0.14 1.00 -0.75 4.32 4.81 2kv1A9 LYS 68 HB2 0.03 0.05 0.15 -0.04 1.87 2.06 2kv1A9 LYS 68 HB3 0.10 -0.04 0.12 -0.04 1.79 1.93 2kv1A9 LYS 68 HG2 0.07 0.04 -0.05 -0.04 1.46 1.47 2kv1A9 LYS 68 HG3 0.05 -0.08 -0.08 -0.04 1.46 1.31 2kv1A9 LYS 68 HD2 0.03 -0.01 -0.05 -0.04 1.69 1.63 2kv1A9 LYS 68 HD3 0.07 -0.04 -0.02 -0.04 1.68 1.65 2kv1A9 LYS 68 HE2 0.03 0.00 -0.09 -0.04 2.99 2.89 2kv1A9 LYS 68 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 2kv1A9 VAL 69 H 0.06 0.72 0.14 -0.55 8.24 8.62 2kv1A9 VAL 69 HA 0.04 0.04 0.95 -0.75 4.13 4.41 2kv1A9 VAL 69 HB 0.08 0.08 -0.31 -0.04 2.12 1.92 2kv1A9 VAL 69 HG13 0.19 -0.05 -0.49 -0.04 0.97 0.58 2kv1A9 VAL 69 HG23 -0.03 0.02 -0.22 -0.04 0.95 0.68 2kv1A9 SER 70 H 0.00 0.54 0.30 -0.55 8.46 8.75 2kv1A9 SER 70 HA 0.02 -0.17 0.85 -0.75 4.49 4.43 2kv1A9 SER 70 HB2 -0.00 0.06 -0.41 -0.04 3.95 3.55 2kv1A9 SER 70 HB3 0.01 0.12 -0.08 -0.04 3.93 3.94 2kv1A9 CYS 71 H 0.00 0.10 -0.11 -0.55 8.50 7.95 2kv1A9 CYS 71 HA -0.05 0.18 0.84 -0.75 4.58 4.80 2kv1A9 CYS 71 HB2 0.01 0.09 0.18 -0.04 2.97 3.21 2kv1A9 CYS 71 HB3 0.01 -0.07 0.30 -0.04 2.97 3.17 2kv1A9 GLY 72 H -0.04 0.47 0.02 -0.55 8.43 8.33 2kv1A9 GLY 72 HA2 -0.01 0.07 0.28 -0.51 4.01 3.83 2kv1A9 GLY 72 HA3 -0.02 0.12 0.23 -0.51 4.01 3.83 2kv1A9 LYS 73 H -0.03 0.11 -0.27 -0.55 8.42 7.67 2kv1A9 LYS 73 HA -0.03 0.12 0.47 -0.75 4.32 4.13 2kv1A9 LYS 73 HB2 -0.04 -0.04 0.14 -0.04 1.87 1.89 2kv1A9 LYS 73 HB3 -0.03 -0.03 -0.01 -0.04 1.79 1.68 2kv1A9 LYS 73 HG2 -0.05 0.09 0.12 -0.04 1.46 1.59 2kv1A9 LYS 73 HG3 -0.06 -0.11 0.08 -0.04 1.46 1.33 2kv1A9 LYS 73 HD2 -0.04 -0.04 -0.00 -0.04 1.69 1.56 2kv1A9 LYS 73 HD3 -0.03 0.05 0.06 -0.04 1.68 1.72 2kv1A9 LYS 73 HE2 -0.04 0.04 0.03 -0.04 2.99 2.98 2kv1A9 LYS 73 HE3 -0.06 -0.04 0.02 -0.04 2.99 2.87 2kv1A9 CYS 74 H -0.01 -0.00 -0.06 -0.55 8.50 7.88 2kv1A9 CYS 74 HA -0.01 0.21 0.62 -0.75 4.58 4.64 2kv1A9 CYS 74 HB2 0.00 0.07 0.07 -0.04 2.97 3.07 2kv1A9 CYS 74 HB3 0.00 -0.00 -0.01 -0.04 2.97 2.92 2kv1A9 GLY 75 H -0.01 0.18 -0.03 -0.55 8.43 8.02 2kv1A9 GLY 75 HA2 -0.01 -0.02 0.24 -0.51 4.01 3.72 2kv1A9 GLY 75 HA3 -0.01 0.13 0.55 -0.51 4.01 4.18 2kv1A9 ASN 76 H -0.00 0.25 0.07 -0.55 8.53 8.30 2kv1A9 ASN 76 HA -0.01 0.29 0.69 -0.75 4.76 4.97 2kv1A9 ASN 76 HB2 0.01 -0.04 0.12 -0.04 2.88 2.93 2kv1A9 ASN 76 HB3 0.02 -0.17 0.27 -0.04 2.79 2.87 2kv1A9 ASN 76 HD21 0.02 -0.02 0.15 -0.04 7.03 7.14 2kv1A9 ASN 76 HD22 0.00 0.09 0.10 -0.04 7.74 7.90 2kv1A9 GLY 77 H 0.01 0.20 0.00 -0.55 8.43 8.10 2kv1A9 GLY 77 HA2 0.02 -0.00 0.49 -0.51 4.01 4.01 2kv1A9 GLY 77 HA3 -0.02 0.17 0.33 -0.51 4.01 3.97 2kv1A9 LEU 78 H 0.06 -0.02 0.35 -0.55 8.37 8.22 2kv1A9 LEU 78 HA 0.14 0.04 0.42 -0.75 4.35 4.19 2kv1A9 LEU 78 HB2 0.14 0.10 0.06 -0.04 1.64 1.90 2kv1A9 LEU 78 HB3 0.20 0.02 0.00 -0.04 1.64 1.83 2kv1A9 LEU 78 HG 0.05 -0.20 0.11 -0.04 1.64 1.55 2kv1A9 LEU 78 HD13 0.03 0.01 -0.10 -0.04 0.93 0.83 2kv1A9 LEU 78 HD23 0.10 0.02 0.04 -0.04 0.89 1.01 2kv1A9 GLY 79 H 0.12 0.54 0.01 -0.55 8.43 8.55 2kv1A9 GLY 79 HA2 -0.03 0.10 0.70 -0.51 4.01 4.26 2kv1A9 GLY 79 HA3 0.06 0.01 0.30 -0.51 4.01 3.87 2kv1A9 HIS 80 H 0.08 0.68 0.37 -0.55 8.41 8.99 2kv1A9 HIS 80 HA 0.12 0.16 1.01 -0.75 4.63 5.16 2kv1A9 HIS 80 HB2 -0.00 -0.07 0.15 -0.04 3.26 3.30 2kv1A9 HIS 80 HB3 0.07 0.08 0.09 -0.04 3.20 3.40 2kv1A9 HIS 80 HD2 0.09 0.02 -0.07 -0.04 6.97 6.97 2kv1A9 HIS 80 HE1 -0.55 -0.01 -0.07 -0.04 7.75 7.07 2kv1A9 GLU 81 H 0.22 0.79 0.19 -0.55 8.60 9.25 2kv1A9 GLU 81 HA 0.25 0.19 0.81 -0.75 4.29 4.79 2kv1A9 GLU 81 HB2 0.14 -0.05 -0.18 -0.04 2.09 1.96 2kv1A9 GLU 81 HB3 0.11 -0.03 0.01 -0.04 1.99 2.04 2kv1A9 GLU 81 HG2 0.08 0.02 -0.29 -0.04 2.34 2.12 2kv1A9 GLU 81 HG3 0.12 0.06 -0.11 -0.04 2.34 2.37 2kv1A9 PHE 82 H 0.27 0.80 0.31 -0.55 8.34 9.16 2kv1A9 PHE 82 HA 0.03 0.01 0.92 -0.75 4.62 4.83 2kv1A9 PHE 82 HB2 -0.01 -0.04 0.08 -0.04 3.15 3.15 2kv1A9 PHE 82 HB3 0.01 0.04 0.24 -0.04 3.06 3.32 2kv1A9 PHE 82 HD2 -0.02 -0.06 0.01 -0.04 7.28 7.17 2kv1A9 PHE 82 HE2 -0.04 -0.01 -0.05 -0.04 7.38 7.24 2kv1A9 PHE 82 HZ -0.05 -0.01 -0.03 -0.04 7.32 7.19 2kv1A9 LEU 83 H -0.21 0.26 0.25 -0.55 8.37 8.13 2kv1A9 LEU 83 HA -0.20 0.11 0.73 -0.75 4.35 4.23 2kv1A9 LEU 83 HB2 -0.03 -0.00 -0.29 -0.04 1.64 1.28 2kv1A9 LEU 83 HB3 -0.07 0.04 -0.09 -0.04 1.64 1.49 2kv1A9 LEU 83 HG -0.06 -0.18 0.15 -0.04 1.64 1.51 2kv1A9 LEU 83 HD13 -0.00 0.05 0.08 -0.04 0.93 1.01 2kv1A9 LEU 83 HD23 -0.03 0.01 -0.03 -0.04 0.89 0.80 2kv1A9 ASN 84 H -0.11 0.20 0.09 -0.55 8.53 8.16 2kv1A9 ASN 84 HA -0.09 0.05 0.25 -0.75 4.76 4.22 2kv1A9 ASN 84 HB2 -0.12 0.18 0.26 -0.04 2.88 3.16 2kv1A9 ASN 84 HB3 -0.08 0.00 0.18 -0.04 2.79 2.85 2kv1A9 ASN 84 HD21 -0.10 0.32 -0.52 -0.04 7.03 6.68 2kv1A9 ASN 84 HD22 -0.05 -0.01 -0.18 -0.04 7.74 7.45 2kv1A9 ASP 85 H -0.31 -0.01 -0.49 -0.55 8.40 7.04 2kv1A9 ASP 85 HA -0.11 0.21 0.77 -0.75 4.63 4.75 2kv1A9 ASP 85 HB2 -0.63 0.11 -0.15 -0.04 2.71 2.00 2kv1A9 ASP 85 HB3 -0.39 0.00 -0.11 -0.04 2.70 2.17 2kv1A9 GLY 86 H -0.10 -0.03 -0.05 -0.55 8.43 7.71 2kv1A9 GLY 86 HA2 0.00 0.05 0.80 -0.51 4.01 4.36 2kv1A9 GLY 86 HA3 -0.00 0.25 0.37 -0.51 4.01 4.12 2kv1A9 PRO 87 HA -0.02 0.15 0.59 -0.51 4.44 4.65 2kv1A9 PRO 87 HB2 -0.01 0.03 -0.03 -0.04 2.28 2.23 2kv1A9 PRO 87 HB3 -0.02 0.05 -0.01 -0.04 2.02 2.00 2kv1A9 PRO 87 HG2 -0.01 -0.07 0.06 -0.04 2.03 1.98 2kv1A9 PRO 87 HG3 -0.02 0.09 -0.01 -0.04 2.03 2.06 2kv1A9 PRO 87 HD2 -0.01 0.11 0.12 -0.04 3.68 3.86 2kv1A9 PRO 87 HD3 -0.03 0.15 -0.50 -0.04 3.65 3.23 2kv1A9 LYS 88 H -0.00 0.04 0.06 -0.55 8.42 7.96 2kv1A9 LYS 88 HA 0.00 0.22 0.78 -0.75 4.32 4.57 2kv1A9 LYS 88 HB2 0.00 0.02 0.05 -0.04 1.87 1.90 2kv1A9 LYS 88 HB3 0.00 0.01 -0.07 -0.04 1.79 1.70 2kv1A9 LYS 88 HG2 0.00 -0.04 0.07 -0.04 1.46 1.45 2kv1A9 LYS 88 HG3 0.01 0.01 -0.16 -0.04 1.46 1.28 2kv1A9 LYS 88 HD2 0.00 0.01 -0.02 -0.04 1.69 1.64 2kv1A9 LYS 88 HD3 0.00 0.00 -0.01 -0.04 1.68 1.63 2kv1A9 LYS 88 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.89 2kv1A9 LYS 88 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 2kv1A9 ARG 89 H 0.01 -0.07 0.06 -0.55 8.46 7.90 2kv1A9 ARG 89 HA 0.02 0.13 0.62 -0.75 4.34 4.35 2kv1A9 ARG 89 HB2 0.02 0.03 0.15 -0.04 1.90 2.06 2kv1A9 ARG 89 HB3 0.03 -0.15 -0.00 -0.04 1.80 1.64 2kv1A9 ARG 89 HG2 0.02 0.05 0.00 -0.04 1.67 1.69 2kv1A9 ARG 89 HG3 0.02 0.04 0.04 -0.04 1.67 1.73 2kv1A9 ARG 89 HD2 0.03 -0.11 0.07 -0.04 3.22 3.17 2kv1A9 ARG 89 HD3 0.02 0.04 0.03 -0.04 3.22 3.27 2kv1A9 GLY 90 H 0.03 0.11 0.16 -0.55 8.43 8.18 2kv1A9 GLY 90 HA2 0.03 0.15 0.31 -0.51 4.01 4.00 2kv1A9 GLY 90 HA3 0.04 0.00 0.31 -0.51 4.01 3.85 2kv1A9 GLN 91 H 0.04 -0.09 -0.45 -0.55 8.47 7.43 2kv1A9 GLN 91 HA 0.08 0.05 0.46 -0.75 4.36 4.19 2kv1A9 GLN 91 HB2 0.07 -0.02 -0.05 -0.04 2.15 2.11 2kv1A9 GLN 91 HB3 0.11 0.03 -0.10 -0.04 2.02 2.01 2kv1A9 GLN 91 HG2 0.05 0.05 -0.02 -0.04 2.40 2.44 2kv1A9 GLN 91 HG3 0.05 -0.13 0.00 -0.04 2.39 2.27 2kv1A9 GLN 91 HE21 0.05 -0.05 -0.01 -0.04 6.97 6.92 2kv1A9 GLN 91 HE22 0.05 0.04 -0.01 -0.04 7.69 7.74 2kv1A9 SER 92 H 0.10 0.29 0.15 -0.55 8.46 8.46 2kv1A9 SER 92 HA 0.11 0.05 0.55 -0.75 4.49 4.45 2kv1A9 SER 92 HB2 0.08 0.02 0.10 -0.04 3.95 4.11 2kv1A9 SER 92 HB3 0.06 0.08 0.06 -0.04 3.93 4.08 2kv1A9 ARG 93 H 0.19 0.28 0.25 -0.55 8.46 8.62 2kv1A9 ARG 93 HA 0.18 0.31 0.54 -0.75 4.34 4.61 2kv1A9 ARG 93 HB2 0.10 -0.10 -0.08 -0.04 1.90 1.78 2kv1A9 ARG 93 HB3 0.05 -0.03 -0.21 -0.04 1.80 1.57 2kv1A9 ARG 93 HG2 0.11 0.07 -0.24 -0.04 1.67 1.57 2kv1A9 ARG 93 HG3 0.09 -0.01 -0.06 -0.04 1.67 1.65 2kv1A9 ARG 93 HD2 -0.01 -0.07 -0.10 -0.04 3.22 2.99 2kv1A9 ARG 93 HD3 -0.03 -0.06 -0.21 -0.04 3.22 2.89 2kv1A9 PHE 94 H 0.29 0.93 0.25 -0.55 8.34 9.26 2kv1A9 PHE 94 HA 0.08 0.11 1.00 -0.75 4.62 5.06 2kv1A9 PHE 94 HB2 0.08 0.00 0.09 -0.04 3.15 3.28 2kv1A9 PHE 94 HB3 0.08 0.03 -0.16 -0.04 3.06 2.97 2kv1A9 PHE 94 HD2 0.12 0.14 -0.19 -0.04 7.28 7.31 2kv1A9 PHE 94 HE2 0.14 -0.01 -0.09 -0.04 7.38 7.38 2kv1A9 PHE 94 HZ 0.15 -0.05 -0.07 -0.04 7.32 7.31 2kv1A9 CYS 95 H 0.09 0.50 0.24 -0.55 8.50 8.78 2kv1A9 CYS 95 HA -0.38 0.18 0.97 -0.75 4.58 4.59 2kv1A9 CYS 95 HB2 -0.13 0.03 -0.17 -0.04 2.97 2.67 2kv1A9 CYS 95 HB3 -0.05 -0.07 0.08 -0.04 2.97 2.88 2kv1A9 ILE 96 H -0.39 0.28 0.24 -0.55 8.25 7.82 2kv1A9 ILE 96 HA -0.18 0.09 0.64 -0.75 4.18 3.97 2kv1A9 ILE 96 HB -0.55 -0.04 -0.20 -0.04 1.89 1.05 2kv1A9 ILE 96 HG12 0.03 0.10 -0.06 -0.04 1.49 1.53 2kv1A9 ILE 96 HG13 0.08 -0.03 -0.26 -0.04 1.21 0.96 2kv1A9 ILE 96 HG23 -0.26 0.02 -0.07 -0.04 0.93 0.57 2kv1A9 ILE 96 HD13 0.17 -0.02 -0.12 -0.04 0.88 0.87 2kv1A9 PHE 97 H 0.10 0.68 0.45 -0.55 8.34 9.02 2kv1A9 PHE 97 HA 0.00 0.06 0.72 -0.75 4.62 4.65 2kv1A9 PHE 97 HB2 -0.00 0.20 0.33 -0.04 3.15 3.64 2kv1A9 PHE 97 HB3 0.01 -0.18 0.10 -0.04 3.06 2.95 2kv1A9 PHE 97 HD2 -0.04 0.06 -0.02 -0.04 7.28 7.24 2kv1A9 PHE 97 HE2 -0.14 0.00 -0.03 -0.04 7.38 7.17 2kv1A9 PHE 97 HZ 0.15 -0.01 -0.03 -0.04 7.32 7.39 2kv1A9 SER 98 H 0.11 0.22 0.26 -0.55 8.46 8.51 2kv1A9 SER 98 HA 0.12 0.12 0.44 -0.75 4.49 4.42 2kv1A9 SER 98 HB2 0.06 0.05 0.11 -0.04 3.95 4.13 2kv1A9 SER 98 HB3 0.04 0.04 0.16 -0.04 3.93 4.13 2kv1A9 SER 99 H 0.15 -0.01 -0.23 -0.55 8.46 7.82 2kv1A9 SER 99 HA 0.05 0.15 0.60 -0.75 4.49 4.55 2kv1A9 SER 99 HB2 0.05 -0.02 0.07 -0.04 3.95 4.01 2kv1A9 SER 99 HB3 0.00 -0.02 0.04 -0.04 3.93 3.91 2kv1A9 SER 100 H 0.13 0.27 -0.14 -0.55 8.46 8.17 2kv1A9 SER 100 HA 0.02 0.05 0.38 -0.75 4.49 4.18 2kv1A9 SER 100 HB2 0.02 -0.03 0.10 -0.04 3.95 4.00 2kv1A9 SER 100 HB3 0.16 0.20 0.21 -0.04 3.93 4.45 2kv1A9 LEU 101 H 0.13 0.37 -0.00 -0.55 8.37 8.32 2kv1A9 LEU 101 HA 0.11 -0.08 0.34 -0.75 4.35 3.97 2kv1A9 LEU 101 HB2 0.17 0.09 0.23 -0.04 1.64 2.08 2kv1A9 LEU 101 HB3 0.14 -0.09 0.03 -0.04 1.64 1.68 2kv1A9 LEU 101 HG 0.33 0.17 -0.19 -0.04 1.64 1.91 2kv1A9 LEU 101 HD13 0.19 -0.03 -0.06 -0.04 0.93 0.98 2kv1A9 LEU 101 HD23 0.09 -0.00 -0.07 -0.04 0.89 0.87 2kv1A9 LYS 102 H 0.16 0.56 0.19 -0.55 8.42 8.77 2kv1A9 LYS 102 HA 0.15 0.22 0.84 -0.75 4.32 4.78 2kv1A9 LYS 102 HB2 0.06 0.03 -0.13 -0.04 1.87 1.79 2kv1A9 LYS 102 HB3 0.08 0.04 0.06 -0.04 1.79 1.92 2kv1A9 LYS 102 HG2 0.07 -0.04 -0.22 -0.04 1.46 1.24 2kv1A9 LYS 102 HG3 0.08 0.04 -0.38 -0.04 1.46 1.17 2kv1A9 LYS 102 HD2 0.04 0.10 -0.06 -0.04 1.69 1.73 2kv1A9 LYS 102 HD3 0.04 -0.03 -0.12 -0.04 1.68 1.53 2kv1A9 LYS 102 HE2 0.04 0.00 -0.02 -0.04 2.99 2.97 2kv1A9 LYS 102 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 2kv1A9 PHE 103 H 0.15 0.23 0.20 -0.55 8.34 8.37 2kv1A9 PHE 103 HA -0.28 0.24 0.97 -0.75 4.62 4.80 2kv1A9 PHE 103 HB2 -0.26 -0.02 -0.05 -0.04 3.15 2.78 2kv1A9 PHE 103 HB3 -0.13 -0.02 0.08 -0.04 3.06 2.94 2kv1A9 PHE 103 HD2 -0.88 -0.03 -0.21 -0.04 7.28 6.12 2kv1A9 PHE 103 HE2 -0.29 0.03 -0.23 -0.04 7.38 6.85 2kv1A9 PHE 103 HZ -0.14 -0.03 -0.17 -0.04 7.32 6.93 2kv1A9 VAL 104 H -0.82 0.81 0.22 -0.55 8.24 7.91 2kv1A9 VAL 104 HA -0.21 0.18 0.72 -0.75 4.13 4.06 2kv1A9 VAL 104 HB -0.13 -0.02 -0.21 -0.04 2.12 1.72 2kv1A9 VAL 104 HG13 -0.19 -0.01 -0.18 -0.04 0.97 0.55 2kv1A9 VAL 104 HG23 -0.10 0.05 -0.04 -0.04 0.95 0.81 2kv1A9 PRO 105 HA -0.29 -0.09 0.73 -0.51 4.44 4.28 2kv1A9 PRO 105 HB2 -0.00 0.19 0.06 -0.04 2.28 2.48 2kv1A9 PRO 105 HB3 0.08 -0.05 0.08 -0.04 2.02 2.09 2kv1A9 PRO 105 HG2 -0.03 0.15 -0.01 -0.04 2.03 2.11 2kv1A9 PRO 105 HG3 0.04 0.01 0.03 -0.04 2.03 2.07 2kv1A9 PRO 105 HD2 -0.09 0.11 0.18 -0.04 3.68 3.84 2kv1A9 PRO 105 HD3 -0.05 0.11 0.00 -0.04 3.65 3.67 2kv1A9 LYS 106 H -0.05 -0.01 0.14 -0.55 8.42 7.95 2kv1A9 LYS 106 HA -0.02 0.16 0.68 -0.75 4.32 4.38 2kv1A9 LYS 106 HB2 0.02 0.18 0.17 -0.04 1.87 2.19 2kv1A9 LYS 106 HB3 0.03 0.06 0.03 -0.04 1.79 1.87 2kv1A9 LYS 106 HG2 0.10 0.05 0.00 -0.04 1.46 1.56 2kv1A9 LYS 106 HG3 0.06 -0.23 0.12 -0.04 1.46 1.36 2kv1A9 LYS 106 HD2 0.03 0.20 -0.11 -0.04 1.69 1.78 2kv1A9 LYS 106 HD3 0.06 -0.01 -0.04 -0.04 1.68 1.65 2kv1A9 LYS 106 HE2 0.01 -0.05 0.03 -0.04 2.99 2.94 2kv1A9 LYS 106 HE3 -0.02 0.05 -0.05 -0.04 2.99 2.92 2kv1A9 GLY 107 H 0.03 0.11 0.04 -0.55 8.43 8.05 2kv1A9 GLY 107 HA2 0.00 0.11 0.01 -0.51 4.01 3.62 2kv1A9 GLY 107 HA3 0.02 -0.02 0.27 -0.51 4.01 3.76 2kv1A9 LYS 108 H 0.02 -0.07 -0.07 -0.55 8.42 7.75 2kv1A9 LYS 108 HA 0.01 0.21 0.76 -0.75 4.32 4.54 2kv1A9 LYS 108 HB2 0.01 -0.09 0.07 -0.04 1.87 1.82 2kv1A9 LYS 108 HB3 0.01 0.01 -0.01 -0.04 1.79 1.75 2kv1A9 LYS 108 HG2 0.00 -0.02 -0.03 -0.04 1.46 1.37 2kv1A9 LYS 108 HG3 0.00 0.05 0.01 -0.04 1.46 1.49 2kv1A9 LYS 108 HD2 0.01 0.26 -0.33 -0.04 1.69 1.59 2kv1A9 LYS 108 HD3 0.01 -0.11 -0.26 -0.04 1.68 1.28 2kv1A9 LYS 108 HE2 0.00 0.01 -0.07 -0.04 2.99 2.89 2kv1A9 LYS 108 HE3 0.00 -0.03 -0.05 -0.04 2.99 2.87 2kv1A9 GLU 109 H 0.02 -0.00 -0.05 -0.55 8.60 8.01 2kv1A9 GLU 109 HA 0.02 0.21 0.62 -0.75 4.29 4.39 2kv1A9 GLU 109 HB2 0.01 0.13 -0.15 -0.04 2.09 2.03 2kv1A9 GLU 109 HB3 0.01 -0.06 0.10 -0.04 1.99 2.00 2kv1A9 GLU 109 HG2 0.01 0.04 -0.09 -0.04 2.34 2.26 2kv1A9 GLU 109 HG3 0.01 0.06 -0.02 -0.04 2.34 2.35 2kv1A9 ALA 110 H 0.01 0.17 0.05 -0.55 8.40 8.08 2kv1A9 ALA 110 HA 0.00 0.06 0.34 -0.75 4.34 4.00 2kv1A9 ALA 110 HB3 0.05 0.04 0.08 -0.04 1.41 1.54 2kv1A9 ALA 111 H 0.05 0.62 0.10 -0.55 8.40 8.63 2kv1A9 ALA 111 HA 0.05 -0.03 0.23 -0.75 4.34 3.84 2kv1A9 ALA 111 HB3 0.03 0.02 -0.12 -0.04 1.41 1.29 2kv1A9 ALA 112 H 0.10 0.53 -0.14 -0.55 8.40 8.35 2kv1A9 ALA 112 HA 0.16 -0.13 0.07 -0.75 4.34 3.68 2kv1A9 ALA 112 HB3 0.05 0.01 0.14 -0.04 1.41 1.57 2kv1A9 SER 113 H 0.06 0.16 -0.01 -0.55 8.46 8.14 2kv1A9 SER 113 HA -0.05 0.06 0.44 -0.75 4.49 4.20 2kv1A9 SER 113 HB2 -0.09 0.01 0.03 -0.04 3.95 3.85 2kv1A9 SER 113 HB3 -0.04 0.12 0.08 -0.04 3.93 4.05 2kv1A9 GLN 114 H -0.13 0.14 0.10 -0.55 8.47 8.03 2kv1A9 GLN 114 HA -0.72 0.05 0.46 -0.75 4.36 3.40 2kv1A9 GLN 114 HB2 -0.05 -0.01 0.12 -0.04 2.15 2.17 2kv1A9 GLN 114 HB3 -0.08 0.02 0.02 -0.04 2.02 1.94 2kv1A9 GLN 114 HG2 0.05 -0.00 -0.01 -0.04 2.40 2.41 2kv1A9 GLN 114 HG3 0.05 0.01 0.01 -0.04 2.39 2.42 2kv1A9 GLN 114 HE21 0.19 0.01 -0.01 -0.04 6.97 7.11 2kv1A9 GLN 114 HE22 0.23 -0.01 -0.02 -0.04 7.69 7.86 2kv1A9 GLY 115 H -0.83 0.21 0.20 -0.55 8.43 7.47 2kv1A9 GLY 115 HA2 -0.12 -0.00 0.37 -0.51 4.01 3.75 2kv1A9 GLY 115 HA3 -0.20 0.09 0.45 -0.51 4.01 3.84 2kv1A9 HIS 116 H -0.19 0.28 0.20 -0.55 8.41 8.15 2kv1A9 HIS 116 HA 0.08 0.08 0.59 -0.75 4.63 4.62 2kv1A9 HIS 116 HB2 0.11 0.06 0.14 -0.04 3.26 3.53 2kv1A9 HIS 116 HB3 0.18 0.07 -0.08 -0.04 3.20 3.32 2kv1A9 HIS 116 HD2 0.07 -0.07 -0.12 -0.04 6.97 6.80 2kv1A9 HIS 116 HE1 0.04 -0.04 -0.08 -0.04 7.75 7.64 2kv1A9 LEU 117 H 0.14 0.12 0.14 -0.55 8.37 8.23 2kv1A9 LEU 117 HA 0.00 0.11 0.78 -0.75 4.35 4.50 2kv1A9 LEU 117 HB2 0.04 0.05 0.13 -0.04 1.64 1.82 2kv1A9 LEU 117 HB3 0.03 -0.01 0.11 -0.04 1.64 1.72 2kv1A9 LEU 117 HG 0.14 0.01 -0.35 -0.04 1.64 1.41 2kv1A9 LEU 117 HD13 -0.05 0.01 -0.04 -0.04 0.93 0.81 2kv1A9 LEU 117 HD23 0.10 -0.01 0.04 -0.04 0.89 0.98 2kv1A9 GLU 118 H 0.08 0.19 0.19 -0.55 8.60 8.50 2kv1A9 GLU 118 HA 0.23 0.17 0.70 -0.75 4.29 4.62 2kv1A9 GLU 118 HB2 0.18 0.01 0.06 -0.04 2.09 2.30 2kv1A9 GLU 118 HB3 0.16 0.05 -0.04 -0.04 1.99 2.12 2kv1A9 GLU 118 HG2 0.11 0.00 -0.11 -0.04 2.34 2.30 2kv1A9 GLU 118 HG3 0.13 0.01 -0.03 -0.04 2.34 2.40 2kv1A9 HIS 119 H 0.08 0.30 0.13 -0.55 8.41 8.38 2kv1A9 HIS 119 HA -0.13 0.08 0.46 -0.75 4.63 4.29 2kv1A9 HIS 119 HB2 -0.07 -0.00 0.05 -0.04 3.26 3.20 2kv1A9 HIS 119 HB3 -0.04 0.09 -0.04 -0.04 3.20 3.17 2kv1A9 HIS 119 HD2 0.04 -0.05 -0.23 -0.04 6.97 6.69 2kv1A9 HIS 119 HE1 -0.00 0.01 -0.03 -0.04 7.75 7.68 2kv1A9 HIS 120 H -0.32 0.27 0.10 -0.55 8.41 7.91 2kv1A9 HIS 120 HA -0.07 0.07 0.48 -0.75 4.63 4.36 2kv1A9 HIS 120 HB2 0.00 0.00 0.02 -0.04 3.26 3.25 2kv1A9 HIS 120 HB3 -0.05 0.14 -0.01 -0.04 3.20 3.23 2kv1A9 HIS 120 HD2 0.00 -0.03 -0.29 -0.04 6.97 6.61 2kv1A9 HIS 120 HE1 0.05 0.01 -0.01 -0.04 7.75 7.76 2kv1A9 HIS 121 H 0.04 0.24 0.10 -0.55 8.41 8.24 2kv1A9 HIS 121 HA 0.06 0.03 0.29 -0.75 4.63 4.26 2kv1A9 HIS 121 HB2 -0.05 -0.04 -0.22 -0.04 3.26 2.92 2kv1A9 HIS 121 HB3 -0.01 -0.01 -0.07 -0.04 3.20 3.06 2kv1A9 HIS 121 HD2 0.03 0.08 0.15 -0.04 6.97 7.19 2kv1A9 HIS 121 HE1 -0.01 -0.01 0.00 -0.04 7.75 7.69 2kv1A9 HIS 122 H 0.00 0.21 0.08 -0.55 8.41 8.15 2kv1A9 HIS 122 HA 0.01 0.05 0.23 -0.75 4.63 4.17 2kv1A9 HIS 122 HB2 -0.05 -0.06 -0.05 -0.04 3.26 3.06 2kv1A9 HIS 122 HB3 -0.17 -0.01 -0.12 -0.04 3.20 2.86 2kv1A9 HIS 122 HD2 0.04 -0.04 0.08 -0.04 6.97 7.02 2kv1A9 HIS 122 HE1 0.05 -0.02 0.01 -0.04 7.75 7.75 2kv1A9 HIS 123 H 0.18 0.25 0.11 -0.55 8.41 8.42 2kv1A9 HIS 123 HA -0.13 0.16 0.71 -0.75 4.63 4.61 2kv1A9 HIS 123 HB2 -0.03 -0.02 0.10 -0.04 3.26 3.28 2kv1A9 HIS 123 HB3 -0.02 0.01 -0.02 -0.04 3.20 3.13 2kv1A9 HIS 123 HD2 -0.22 -0.11 -0.27 -0.04 6.97 6.32 2kv1A9 HIS 123 HE1 -0.03 0.00 0.01 -0.04 7.75 7.68 2kv1A9 HIS 124 H -0.11 0.31 -0.00 -0.55 8.41 8.06 2kv1A9 HIS 124 HA 0.00 0.16 0.21 -0.75 4.63 4.24 2kv1A9 HIS 124 HB2 -0.06 0.03 0.07 -0.04 3.26 3.26 2kv1A9 HIS 124 HB3 -0.10 0.11 -0.03 -0.04 3.20 3.14 2kv1A9 HIS 124 HD2 -0.23 0.02 -0.08 -0.04 6.97 6.64 2kv1A9 HIS 124 HE1 -0.05 0.01 -0.01 -0.04 7.75 7.65