============================================================================= 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 46.976 58.426 59.886 -99.200 -91.000 PHE 6 1.000 47.736 60.279 48.378 -99.200 -91.000 PHE 7 1.000 47.726 66.884 46.939 -99.200 -91.000 PHE 12 1.000 58.562 54.214 44.457 -99.200 -91.000 HIS 15 0.900 57.170 53.847 36.645 -99.200 -91.000 PHE 16 1.000 62.067 49.181 34.953 -99.200 -91.000 TYR 21 0.840 65.121 41.464 45.683 -99.200 -91.000 TYR 28 0.840 76.484 46.504 51.909 -99.200 -91.000 PHE 31 1.000 69.086 41.846 42.635 -99.200 -91.000 HIS 34 0.900 66.155 49.381 34.182 -99.200 -91.000 TYR 37 0.840 60.914 38.879 32.720 -99.200 -91.000 HIS 39 0.900 55.943 37.806 33.724 -99.200 -91.000 TRP 43 1.040 56.143 34.706 45.268 -99.200 -91.000 TRP6 43 1.020 57.131 35.826 47.148 -99.200 -91.000 PHE 46 1.000 65.455 39.383 40.224 -99.200 -91.000 HIS 51 0.900 80.205 47.331 41.307 -99.200 -91.000 HIS 80 0.900 70.720 27.315 38.902 -99.200 -91.000 PHE 82 1.000 68.220 28.416 30.295 -99.200 -91.000 PHE 94 1.000 70.945 37.165 38.252 -99.200 -91.000 PHE 97 1.000 71.746 32.355 46.810 -99.200 -91.000 PHE 103 1.000 61.303 42.732 47.767 -99.200 -91.000 HIS 116 0.900 59.124 69.497 41.440 -99.200 -91.000 HIS 119 0.900 64.164 79.682 34.540 -99.200 -91.000 HIS 120 0.900 69.708 78.266 39.658 -99.200 -91.000 HIS 121 0.900 70.369 84.070 34.117 -99.200 -91.000 HIS 122 0.900 73.012 88.415 40.826 -99.200 -91.000 HIS 123 0.900 76.186 82.710 44.082 -99.200 -91.000 HIS 124 0.900 76.201 84.253 36.397 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kv1A12 MET 1 HA 0.05 0.01 0.14 -0.75 4.52 3.96 2kv1A12 MET 1 HB2 0.03 -0.02 -0.01 -0.04 2.15 2.12 2kv1A12 MET 1 HB3 0.03 -0.09 0.06 -0.04 2.03 1.99 2kv1A12 MET 1 HG2 0.01 -0.01 0.02 -0.04 2.63 2.61 2kv1A12 MET 1 HG3 0.02 0.01 0.04 -0.04 2.56 2.58 2kv1A12 MET 1 HE3 0.00 0.00 0.01 -0.04 2.10 2.07 2kv1A12 SER 2 H 0.05 0.04 0.06 -0.55 8.46 8.07 2kv1A12 SER 2 HA 0.04 -0.01 0.26 -0.75 4.49 4.01 2kv1A12 SER 2 HB2 0.06 -0.01 0.05 -0.04 3.95 4.01 2kv1A12 SER 2 HB3 0.22 0.22 0.30 -0.04 3.93 4.62 2kv1A12 PHE 3 H -0.07 0.08 0.11 -0.55 8.34 7.91 2kv1A12 PHE 3 HA 0.05 -0.11 0.38 -0.75 4.62 4.18 2kv1A12 PHE 3 HB2 0.02 0.22 -0.29 -0.04 3.15 3.06 2kv1A12 PHE 3 HB3 0.03 -0.00 0.06 -0.04 3.06 3.10 2kv1A12 PHE 3 HD2 0.02 0.05 0.02 -0.04 7.28 7.33 2kv1A12 PHE 3 HE2 0.01 0.00 0.02 -0.04 7.38 7.37 2kv1A12 PHE 3 HZ 0.01 -0.01 0.02 -0.04 7.32 7.30 2kv1A12 CYS 4 H 0.06 0.05 0.01 -0.55 8.50 8.07 2kv1A12 CYS 4 HA 0.10 0.19 0.67 -0.75 4.58 4.80 2kv1A12 CYS 4 HB2 0.07 -0.03 0.08 -0.04 2.97 3.06 2kv1A12 CYS 4 HB3 0.02 0.10 0.02 -0.04 2.97 3.08 2kv1A12 SER 5 H 0.16 -0.03 -0.17 -0.55 8.46 7.88 2kv1A12 SER 5 HA 0.14 0.02 0.26 -0.75 4.49 4.15 2kv1A12 SER 5 HB2 0.13 0.11 -0.18 -0.04 3.95 3.97 2kv1A12 SER 5 HB3 0.12 0.01 0.10 -0.04 3.93 4.12 2kv1A12 PHE 6 H 0.43 -0.07 -0.35 -0.55 8.34 7.79 2kv1A12 PHE 6 HA 0.07 0.12 0.31 -0.75 4.62 4.36 2kv1A12 PHE 6 HB2 0.03 -0.03 0.03 -0.04 3.15 3.14 2kv1A12 PHE 6 HB3 0.04 0.01 -0.08 -0.04 3.06 2.99 2kv1A12 PHE 6 HD2 0.01 -0.03 -0.04 -0.04 7.28 7.18 2kv1A12 PHE 6 HE2 -0.01 -0.01 -0.11 -0.04 7.38 7.21 2kv1A12 PHE 6 HZ 0.04 0.00 -0.07 -0.04 7.32 7.25 2kv1A12 PHE 7 H 0.11 0.10 0.05 -0.55 8.34 8.04 2kv1A12 PHE 7 HA -0.70 0.05 -0.06 -0.75 4.62 3.16 2kv1A12 PHE 7 HB2 -0.28 0.14 0.14 -0.04 3.15 3.11 2kv1A12 PHE 7 HB3 -0.13 0.00 0.08 -0.04 3.06 2.97 2kv1A12 PHE 7 HD2 -0.28 0.03 0.05 -0.04 7.28 7.03 2kv1A12 PHE 7 HE2 -0.09 -0.02 0.00 -0.04 7.38 7.24 2kv1A12 PHE 7 HZ -0.05 -0.02 0.00 -0.04 7.32 7.21 2kv1A12 GLY 8 H 0.22 0.04 0.06 -0.55 8.43 8.20 2kv1A12 GLY 8 HA2 0.01 0.04 0.08 -0.51 4.01 3.62 2kv1A12 GLY 8 HA3 -0.08 0.07 0.57 -0.51 4.01 4.06 2kv1A12 GLY 9 H 0.10 0.51 0.18 -0.55 8.43 8.67 2kv1A12 GLY 9 HA2 0.02 0.02 0.67 -0.51 4.01 4.21 2kv1A12 GLY 9 HA3 0.02 0.04 0.45 -0.51 4.01 4.01 2kv1A12 GLU 10 H -0.14 0.52 0.08 -0.55 8.60 8.51 2kv1A12 GLU 10 HA -0.23 0.14 0.51 -0.75 4.29 3.95 2kv1A12 GLU 10 HB2 -0.50 0.16 -0.17 -0.04 2.09 1.54 2kv1A12 GLU 10 HB3 -1.65 -0.06 0.02 -0.04 1.99 0.25 2kv1A12 GLU 10 HG2 -0.90 0.06 0.02 -0.04 2.34 1.48 2kv1A12 GLU 10 HG3 -0.93 -0.30 -0.01 -0.04 2.34 1.06 2kv1A12 VAL 11 H -0.17 0.23 0.04 -0.55 8.24 7.80 2kv1A12 VAL 11 HA -0.09 0.06 0.29 -0.75 4.13 3.64 2kv1A12 VAL 11 HB 0.19 0.07 0.01 -0.04 2.12 2.35 2kv1A12 VAL 11 HG13 0.04 -0.00 0.03 -0.04 0.97 0.99 2kv1A12 VAL 11 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 2kv1A12 PHE 12 H -0.32 0.07 -0.38 -0.55 8.34 7.16 2kv1A12 PHE 12 HA -0.32 0.16 0.10 -0.75 4.62 3.80 2kv1A12 PHE 12 HB2 0.07 0.23 0.03 -0.04 3.15 3.44 2kv1A12 PHE 12 HB3 0.11 -0.02 0.07 -0.04 3.06 3.18 2kv1A12 PHE 12 HD2 0.03 -0.03 -0.03 -0.04 7.28 7.20 2kv1A12 PHE 12 HE2 0.02 0.06 0.06 -0.04 7.38 7.48 2kv1A12 PHE 12 HZ 0.03 -0.11 0.06 -0.04 7.32 7.26 2kv1A12 GLN 13 H 0.22 0.10 -0.32 -0.55 8.47 7.93 2kv1A12 GLN 13 HA -0.01 0.08 0.40 -0.75 4.36 4.07 2kv1A12 GLN 13 HB2 0.09 -0.03 0.10 -0.04 2.15 2.27 2kv1A12 GLN 13 HB3 -0.02 -0.01 -0.01 -0.04 2.02 1.95 2kv1A12 GLN 13 HG2 -0.04 0.00 0.09 -0.04 2.40 2.41 2kv1A12 GLN 13 HG3 -0.02 0.04 0.07 -0.04 2.39 2.43 2kv1A12 GLN 13 HE21 0.03 0.05 -0.02 -0.04 6.97 6.98 2kv1A12 GLN 13 HE22 -0.02 0.06 -0.03 -0.04 7.69 7.67 2kv1A12 ASN 14 H -0.25 0.33 -0.27 -0.55 8.53 7.80 2kv1A12 ASN 14 HA -0.09 0.18 0.83 -0.75 4.76 4.92 2kv1A12 ASN 14 HB2 -0.10 -0.05 0.00 -0.04 2.88 2.70 2kv1A12 ASN 14 HB3 -0.09 0.01 -0.01 -0.04 2.79 2.66 2kv1A12 ASN 14 HD21 -0.06 0.05 -0.01 -0.04 7.03 6.96 2kv1A12 ASN 14 HD22 -0.05 -0.02 0.03 -0.04 7.74 7.66 2kv1A12 HIS 15 H -0.37 0.22 -0.19 -0.55 8.41 7.53 2kv1A12 HIS 15 HA -0.31 0.08 0.66 -0.75 4.63 4.31 2kv1A12 HIS 15 HB2 -0.18 0.01 -0.09 -0.04 3.26 2.96 2kv1A12 HIS 15 HB3 -0.14 0.07 -0.14 -0.04 3.20 2.95 2kv1A12 HIS 15 HD2 -0.01 0.03 -0.17 -0.04 6.97 6.78 2kv1A12 HIS 15 HE1 0.07 -0.10 -0.15 -0.04 7.75 7.52 2kv1A12 PHE 16 H -0.40 0.15 0.02 -0.55 8.34 7.57 2kv1A12 PHE 16 HA 0.13 0.10 0.33 -0.75 4.62 4.43 2kv1A12 PHE 16 HB2 0.25 0.05 0.03 -0.04 3.15 3.44 2kv1A12 PHE 16 HB3 0.22 -0.14 -0.22 -0.04 3.06 2.89 2kv1A12 PHE 16 HD2 0.17 0.10 -0.06 -0.04 7.28 7.45 2kv1A12 PHE 16 HE2 0.07 0.12 -0.01 -0.04 7.38 7.52 2kv1A12 PHE 16 HZ 0.10 -0.02 -0.01 -0.04 7.32 7.35 2kv1A12 GLU 17 H 0.12 0.04 -0.01 -0.55 8.60 8.19 2kv1A12 GLU 17 HA -0.00 0.28 -0.08 -0.75 4.29 3.73 2kv1A12 GLU 17 HB2 0.04 -0.06 0.02 -0.04 2.09 2.05 2kv1A12 GLU 17 HB3 -0.02 0.05 -0.03 -0.04 1.99 1.95 2kv1A12 GLU 17 HG2 -0.04 0.11 -0.10 -0.04 2.34 2.27 2kv1A12 GLU 17 HG3 -0.02 -0.15 -0.15 -0.04 2.34 1.97 2kv1A12 PRO 18 HA -0.26 0.05 0.29 -0.51 4.44 4.01 2kv1A12 PRO 18 HB2 -0.56 -0.10 -0.39 -0.04 2.28 1.19 2kv1A12 PRO 18 HB3 -1.87 -0.03 -0.01 -0.04 2.02 0.07 2kv1A12 PRO 18 HG2 -0.31 0.15 0.07 -0.04 2.03 1.90 2kv1A12 PRO 18 HG3 -0.78 0.03 0.01 -0.04 2.03 1.25 2kv1A12 PRO 18 HD2 -0.17 0.10 0.04 -0.04 3.68 3.61 2kv1A12 PRO 18 HD3 -0.45 0.07 -0.16 -0.04 3.65 3.07 2kv1A12 GLY 19 H -0.02 0.27 0.24 -0.55 8.43 8.37 2kv1A12 GLY 19 HA2 -0.19 -0.01 0.46 -0.51 4.01 3.75 2kv1A12 GLY 19 HA3 -0.13 0.12 0.42 -0.51 4.01 3.92 2kv1A12 VAL 20 H -0.36 0.70 0.22 -0.55 8.24 8.24 2kv1A12 VAL 20 HA 0.17 0.09 0.59 -0.75 4.13 4.23 2kv1A12 VAL 20 HB -0.04 0.02 -0.11 -0.04 2.12 1.95 2kv1A12 VAL 20 HG13 0.12 0.02 -0.08 -0.04 0.97 0.99 2kv1A12 VAL 20 HG23 -0.02 0.04 -0.21 -0.04 0.95 0.71 2kv1A12 TYR 21 H 0.29 0.16 0.00 -0.55 8.29 8.19 2kv1A12 TYR 21 HA 0.14 0.27 0.97 -0.75 4.56 5.20 2kv1A12 TYR 21 HB2 -0.09 0.06 0.05 -0.04 3.06 3.04 2kv1A12 TYR 21 HB3 -0.13 0.03 0.02 -0.04 2.98 2.85 2kv1A12 TYR 21 HD2 0.03 0.00 -0.21 -0.04 7.15 6.93 2kv1A12 TYR 21 HE2 0.01 0.03 -0.18 -0.04 6.85 6.66 2kv1A12 VAL 22 H 0.17 0.76 0.27 -0.55 8.24 8.89 2kv1A12 VAL 22 HA 0.16 0.24 0.81 -0.75 4.13 4.59 2kv1A12 VAL 22 HB 0.09 0.08 -0.28 -0.04 2.12 1.97 2kv1A12 VAL 22 HG13 0.03 0.01 -0.38 -0.04 0.97 0.60 2kv1A12 VAL 22 HG23 0.06 0.04 -0.24 -0.04 0.95 0.78 2kv1A12 CYS 23 H 0.14 0.34 -0.01 -0.55 8.50 8.44 2kv1A12 CYS 23 HA 0.15 0.09 0.49 -0.75 4.58 4.55 2kv1A12 CYS 23 HB2 0.14 0.16 0.12 -0.04 2.97 3.35 2kv1A12 CYS 23 HB3 0.13 -0.14 0.13 -0.04 2.97 3.05 2kv1A12 ALA 24 H 0.15 0.01 0.16 -0.55 8.40 8.17 2kv1A12 ALA 24 HA 0.07 0.34 0.55 -0.75 4.34 4.55 2kv1A12 ALA 24 HB3 0.05 -0.05 0.04 -0.04 1.41 1.42 2kv1A12 LYS 25 H 0.07 -0.25 -0.13 -0.55 8.42 7.56 2kv1A12 LYS 25 HA 0.03 0.29 0.58 -0.75 4.32 4.48 2kv1A12 LYS 25 HB2 0.03 -0.21 0.08 -0.04 1.87 1.73 2kv1A12 LYS 25 HB3 0.03 0.10 -0.05 -0.04 1.79 1.82 2kv1A12 LYS 25 HG2 0.01 -0.01 -0.34 -0.04 1.46 1.08 2kv1A12 LYS 25 HG3 0.00 0.01 -0.08 -0.04 1.46 1.35 2kv1A12 LYS 25 HD2 0.02 0.06 0.01 -0.04 1.69 1.74 2kv1A12 LYS 25 HD3 0.00 0.03 -0.05 -0.04 1.68 1.63 2kv1A12 LYS 25 HE2 0.00 0.02 -0.01 -0.04 2.99 2.97 2kv1A12 LYS 25 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 2kv1A12 CYS 26 H 0.07 -0.16 0.11 -0.55 8.50 7.98 2kv1A12 CYS 26 HA 0.07 0.21 0.51 -0.75 4.58 4.62 2kv1A12 CYS 26 HB2 0.10 -0.07 0.12 -0.04 2.97 3.08 2kv1A12 CYS 26 HB3 0.08 0.11 0.12 -0.04 2.97 3.24 2kv1A12 SER 27 H 0.10 -0.15 -0.24 -0.55 8.46 7.63 2kv1A12 SER 27 HA 0.08 0.24 0.16 -0.75 4.49 4.23 2kv1A12 SER 27 HB2 0.04 -0.00 0.04 -0.04 3.95 3.98 2kv1A12 SER 27 HB3 0.05 0.08 -0.28 -0.04 3.93 3.74 2kv1A12 TYR 28 H 0.21 -0.11 -0.83 -0.55 8.29 7.00 2kv1A12 TYR 28 HA 0.04 0.12 0.44 -0.75 4.56 4.41 2kv1A12 TYR 28 HB2 0.04 0.09 0.02 -0.04 3.06 3.17 2kv1A12 TYR 28 HB3 0.06 -0.12 0.00 -0.04 2.98 2.88 2kv1A12 TYR 28 HD2 0.04 0.01 -0.26 -0.04 7.15 6.91 2kv1A12 TYR 28 HE2 0.03 0.04 -0.00 -0.04 6.85 6.87 2kv1A12 GLU 29 H -0.12 0.15 0.18 -0.55 8.60 8.27 2kv1A12 GLU 29 HA 0.15 0.22 0.75 -0.75 4.29 4.65 2kv1A12 GLU 29 HB2 -0.01 -0.03 0.15 -0.04 2.09 2.16 2kv1A12 GLU 29 HB3 0.05 0.01 -0.02 -0.04 1.99 1.99 2kv1A12 GLU 29 HG2 -0.02 0.00 -0.05 -0.04 2.34 2.23 2kv1A12 GLU 29 HG3 0.01 0.08 -0.10 -0.04 2.34 2.30 2kv1A12 LEU 30 H 0.24 0.69 0.32 -0.55 8.37 9.07 2kv1A12 LEU 30 HA 0.23 0.09 0.78 -0.75 4.35 4.69 2kv1A12 LEU 30 HB2 0.15 -0.03 -0.04 -0.04 1.64 1.69 2kv1A12 LEU 30 HB3 0.28 0.10 -0.32 -0.04 1.64 1.65 2kv1A12 LEU 30 HG 0.23 0.09 -0.00 -0.04 1.64 1.91 2kv1A12 LEU 30 HD13 0.18 -0.03 -0.13 -0.04 0.93 0.91 2kv1A12 LEU 30 HD23 0.07 -0.03 -0.14 -0.04 0.89 0.74 2kv1A12 PHE 31 H 0.23 0.35 0.23 -0.55 8.34 8.60 2kv1A12 PHE 31 HA 0.03 -0.04 0.18 -0.75 4.62 4.05 2kv1A12 PHE 31 HB2 0.24 0.07 0.10 -0.04 3.15 3.53 2kv1A12 PHE 31 HB3 0.23 0.07 -0.03 -0.04 3.06 3.29 2kv1A12 PHE 31 HD2 -0.14 0.17 0.03 -0.04 7.28 7.29 2kv1A12 PHE 31 HE2 -0.90 -0.01 -0.06 -0.04 7.38 6.37 2kv1A12 PHE 31 HZ -0.83 0.00 -0.08 -0.04 7.32 6.37 2kv1A12 SER 32 H -0.16 0.24 0.16 -0.55 8.46 8.16 2kv1A12 SER 32 HA 0.15 0.18 0.56 -0.75 4.49 4.63 2kv1A12 SER 32 HB2 0.00 0.12 0.03 -0.04 3.95 4.05 2kv1A12 SER 32 HB3 -0.04 -0.01 0.01 -0.04 3.93 3.84 2kv1A12 SER 33 H 0.20 0.22 0.12 -0.55 8.46 8.45 2kv1A12 SER 33 HA 0.36 0.14 0.50 -0.75 4.49 4.73 2kv1A12 SER 33 HB2 0.29 0.03 -0.08 -0.04 3.95 4.15 2kv1A12 SER 33 HB3 0.30 -0.02 -0.24 -0.04 3.93 3.93 2kv1A12 HIS 34 H 0.16 0.01 -0.19 -0.55 8.41 7.85 2kv1A12 HIS 34 HA -0.49 0.17 0.48 -0.75 4.63 4.04 2kv1A12 HIS 34 HB2 -0.27 -0.02 0.07 -0.04 3.26 3.00 2kv1A12 HIS 34 HB3 -0.15 -0.01 -0.05 -0.04 3.20 2.95 2kv1A12 HIS 34 HD2 -0.14 -0.01 -0.06 -0.04 6.97 6.72 2kv1A12 HIS 34 HE1 -0.28 -0.00 0.00 -0.04 7.75 7.42 2kv1A12 SER 35 H 0.15 0.16 -0.57 -0.55 8.46 7.66 2kv1A12 SER 35 HA 0.07 0.01 0.33 -0.75 4.49 4.14 2kv1A12 SER 35 HB2 0.09 0.03 0.07 -0.04 3.95 4.10 2kv1A12 SER 35 HB3 -0.16 -0.11 0.04 -0.04 3.93 3.65 2kv1A12 LYS 36 H 0.32 0.16 -0.45 -0.55 8.42 7.89 2kv1A12 LYS 36 HA 0.34 0.10 0.94 -0.75 4.32 4.95 2kv1A12 LYS 36 HB2 0.00 0.11 0.20 -0.04 1.87 2.15 2kv1A12 LYS 36 HB3 0.29 -0.08 -0.03 -0.04 1.79 1.93 2kv1A12 LYS 36 HG2 0.16 -0.05 0.05 -0.04 1.46 1.58 2kv1A12 LYS 36 HG3 0.30 0.09 0.09 -0.04 1.46 1.90 2kv1A12 LYS 36 HD2 0.01 0.03 -0.08 -0.04 1.69 1.61 2kv1A12 LYS 36 HD3 -0.14 0.04 0.10 -0.04 1.68 1.64 2kv1A12 LYS 36 HE2 -0.05 -0.01 0.07 -0.04 2.99 2.96 2kv1A12 LYS 36 HE3 0.02 -0.19 0.06 -0.04 2.99 2.84 2kv1A12 TYR 37 H 0.18 0.19 0.18 -0.55 8.29 8.29 2kv1A12 TYR 37 HA 0.10 0.17 0.56 -0.75 4.56 4.63 2kv1A12 TYR 37 HB2 0.04 -0.08 0.11 -0.04 3.06 3.09 2kv1A12 TYR 37 HB3 0.05 0.04 -0.03 -0.04 2.98 3.00 2kv1A12 TYR 37 HD2 0.01 0.00 -0.09 -0.04 7.15 7.03 2kv1A12 TYR 37 HE2 -0.15 -0.04 -0.07 -0.04 6.85 6.54 2kv1A12 ALA 38 H 0.23 0.14 0.10 -0.55 8.40 8.32 2kv1A12 ALA 38 HA -0.02 0.10 0.37 -0.75 4.34 4.04 2kv1A12 ALA 38 HB3 0.08 0.01 0.17 -0.04 1.41 1.62 2kv1A12 HIS 39 H -0.20 0.74 0.21 -0.55 8.41 8.61 2kv1A12 HIS 39 HA -0.13 0.07 0.73 -0.75 4.63 4.54 2kv1A12 HIS 39 HB2 -0.27 0.01 -0.32 -0.04 3.26 2.63 2kv1A12 HIS 39 HB3 -0.93 -0.01 -0.06 -0.04 3.20 2.16 2kv1A12 HIS 39 HD2 -0.04 -0.01 0.05 -0.04 6.97 6.92 2kv1A12 HIS 39 HE1 0.02 0.00 -0.07 -0.04 7.75 7.66 2kv1A12 SER 40 H -0.14 0.17 0.09 -0.55 8.46 8.03 2kv1A12 SER 40 HA -0.21 0.13 0.78 -0.75 4.49 4.44 2kv1A12 SER 40 HB2 -0.10 -0.04 0.15 -0.04 3.95 3.92 2kv1A12 SER 40 HB3 -0.13 0.00 0.12 -0.04 3.93 3.88 2kv1A12 SER 41 H -0.28 0.30 0.14 -0.55 8.46 8.07 2kv1A12 SER 41 HA -0.24 0.10 0.57 -0.75 4.49 4.15 2kv1A12 SER 41 HB2 -0.72 -0.02 -0.27 -0.04 3.95 2.90 2kv1A12 SER 41 HB3 -0.35 -0.06 -0.16 -0.04 3.93 3.33 2kv1A12 PRO 42 HA -0.35 0.09 0.69 -0.51 4.44 4.36 2kv1A12 PRO 42 HB2 -0.77 0.02 0.04 -0.04 2.28 1.52 2kv1A12 PRO 42 HB3 -0.41 0.02 0.13 -0.04 2.02 1.72 2kv1A12 PRO 42 HG2 -0.15 0.05 0.01 -0.04 2.03 1.90 2kv1A12 PRO 42 HG3 -0.19 0.03 0.06 -0.04 2.03 1.89 2kv1A12 PRO 42 HD2 -0.15 0.11 0.22 -0.04 3.68 3.81 2kv1A12 PRO 42 HD3 -0.18 0.11 0.10 -0.04 3.65 3.64 2kv1A12 TRP 43 H -0.52 0.06 0.10 -0.55 7.97 7.07 2kv1A12 TRP 43 HA -0.11 0.00 0.33 -0.75 4.62 4.09 2kv1A12 TRP 43 HB2 -0.05 0.08 -0.02 -0.04 3.23 3.19 2kv1A12 TRP 43 HB3 -0.05 -0.00 0.15 -0.04 3.23 3.29 2kv1A12 TRP 43 HD1 -0.03 0.02 -0.09 -0.04 7.22 7.08 2kv1A12 TRP 43 HE1 -0.01 -0.01 -0.01 -0.04 10.20 10.13 2kv1A12 TRP 43 HE3 -0.06 0.04 0.07 -0.04 7.59 7.60 2kv1A12 TRP 43 HZ2 0.01 -0.01 0.01 -0.04 7.44 7.41 2kv1A12 TRP 43 HZ3 0.02 0.02 0.04 -0.04 7.13 7.16 2kv1A12 TRP 43 HH2 0.04 0.01 0.03 -0.04 7.19 7.23 2kv1A12 PRO 44 HA -0.05 0.09 0.25 -0.51 4.44 4.22 2kv1A12 PRO 44 HB2 -0.23 0.05 0.12 -0.04 2.28 2.18 2kv1A12 PRO 44 HB3 -0.19 0.10 0.05 -0.04 2.02 1.94 2kv1A12 PRO 44 HG2 -0.21 -0.03 -0.08 -0.04 2.03 1.67 2kv1A12 PRO 44 HG3 -0.12 0.05 0.03 -0.04 2.03 1.94 2kv1A12 PRO 44 HD2 -0.06 -0.02 0.07 -0.04 3.68 3.64 2kv1A12 PRO 44 HD3 -0.14 0.21 -0.17 -0.04 3.65 3.51 2kv1A12 ALA 45 H -0.03 0.14 0.20 -0.55 8.40 8.16 2kv1A12 ALA 45 HA -0.56 0.14 0.82 -0.75 4.34 3.98 2kv1A12 ALA 45 HB3 0.03 0.02 0.10 -0.04 1.41 1.51 2kv1A12 PHE 46 H -0.05 0.59 0.35 -0.55 8.34 8.68 2kv1A12 PHE 46 HA 0.24 0.17 0.81 -0.75 4.62 5.08 2kv1A12 PHE 46 HB2 0.05 -0.02 -0.03 -0.04 3.15 3.11 2kv1A12 PHE 46 HB3 0.31 0.08 0.09 -0.04 3.06 3.50 2kv1A12 PHE 46 HD2 -0.09 -0.00 -0.29 -0.04 7.28 6.86 2kv1A12 PHE 46 HE2 -0.16 -0.02 -0.11 -0.04 7.38 7.05 2kv1A12 PHE 46 HZ -0.48 0.01 -0.14 -0.04 7.32 6.67 2kv1A12 THR 47 H 0.38 0.62 0.35 -0.55 8.28 9.08 2kv1A12 THR 47 HA 0.15 0.07 0.77 -0.75 4.39 4.63 2kv1A12 THR 47 HB 0.06 -0.00 -0.04 -0.04 4.32 4.29 2kv1A12 THR 47 HG23 0.02 0.00 -0.09 -0.04 1.22 1.11 2kv1A12 GLU 48 H 0.18 0.19 0.21 -0.55 8.60 8.64 2kv1A12 GLU 48 HA -0.19 0.16 0.70 -0.75 4.29 4.20 2kv1A12 GLU 48 HB2 -0.01 0.02 -0.05 -0.04 2.09 2.01 2kv1A12 GLU 48 HB3 -0.07 0.11 0.05 -0.04 1.99 2.03 2kv1A12 GLU 48 HG2 -0.07 0.13 -0.02 -0.04 2.34 2.33 2kv1A12 GLU 48 HG3 -0.04 0.04 -0.04 -0.04 2.34 2.25 2kv1A12 THR 49 H -0.19 0.22 0.13 -0.55 8.28 7.89 2kv1A12 THR 49 HA -0.22 0.06 0.59 -0.75 4.39 4.07 2kv1A12 THR 49 HB -0.18 -0.04 -0.05 -0.04 4.32 4.01 2kv1A12 THR 49 HG23 -0.53 0.01 -0.15 -0.04 1.22 0.50 2kv1A12 ILE 50 H -0.28 0.07 0.07 -0.55 8.25 7.55 2kv1A12 ILE 50 HA -0.10 0.20 0.65 -0.75 4.18 4.18 2kv1A12 ILE 50 HB -0.17 -0.09 0.05 -0.04 1.89 1.65 2kv1A12 ILE 50 HG12 -0.20 -0.01 -0.31 -0.04 1.49 0.93 2kv1A12 ILE 50 HG13 -0.19 0.08 -0.15 -0.04 1.21 0.92 2kv1A12 ILE 50 HG23 -0.01 0.04 -0.17 -0.04 0.93 0.75 2kv1A12 ILE 50 HD13 -0.94 -0.01 -0.01 -0.04 0.88 -0.12 2kv1A12 HIS 51 H -0.02 -0.04 -0.02 -0.55 8.41 7.78 2kv1A12 HIS 51 HA -0.06 0.17 0.45 -0.75 4.63 4.44 2kv1A12 HIS 51 HB2 -0.04 0.12 -0.31 -0.04 3.26 2.99 2kv1A12 HIS 51 HB3 -0.03 -0.07 0.03 -0.04 3.20 3.08 2kv1A12 HIS 51 HD2 -0.03 0.03 0.03 -0.04 6.97 6.96 2kv1A12 HIS 51 HE1 -0.02 -0.02 -0.03 -0.04 7.75 7.63 2kv1A12 PRO 52 HA 0.02 -0.01 0.53 -0.51 4.44 4.47 2kv1A12 PRO 52 HB2 -0.00 0.32 -0.03 -0.04 2.28 2.52 2kv1A12 PRO 52 HB3 0.01 -0.08 0.03 -0.04 2.02 1.94 2kv1A12 PRO 52 HG2 -0.08 0.14 -0.03 -0.04 2.03 2.02 2kv1A12 PRO 52 HG3 -0.08 -0.01 -0.05 -0.04 2.03 1.85 2kv1A12 PRO 52 HD2 -0.12 0.21 -0.00 -0.04 3.68 3.72 2kv1A12 PRO 52 HD3 -0.08 -0.12 0.03 -0.04 3.65 3.44 2kv1A12 ASP 53 H 0.01 -0.10 0.20 -0.55 8.40 7.96 2kv1A12 ASP 53 HA -0.01 0.30 0.91 -0.75 4.63 5.07 2kv1A12 ASP 53 HB2 0.01 0.08 0.03 -0.04 2.71 2.79 2kv1A12 ASP 53 HB3 0.05 0.15 -0.15 -0.04 2.70 2.70 2kv1A12 SER 54 H 0.00 0.02 0.20 -0.55 8.46 8.13 2kv1A12 SER 54 HA 0.00 0.24 0.65 -0.75 4.49 4.63 2kv1A12 SER 54 HB2 0.00 -0.04 0.09 -0.04 3.95 3.96 2kv1A12 SER 54 HB3 0.01 -0.02 -0.07 -0.04 3.93 3.81 2kv1A12 VAL 55 H 0.01 -0.07 -0.01 -0.55 8.24 7.63 2kv1A12 VAL 55 HA 0.05 0.00 0.99 -0.75 4.13 4.42 2kv1A12 VAL 55 HB 0.09 0.11 0.19 -0.04 2.12 2.47 2kv1A12 VAL 55 HG13 0.07 -0.05 0.10 -0.04 0.97 1.05 2kv1A12 VAL 55 HG23 0.05 -0.03 0.07 -0.04 0.95 1.00 2kv1A12 THR 56 H 0.05 0.62 0.34 -0.55 8.28 8.74 2kv1A12 THR 56 HA 0.00 0.13 0.68 -0.75 4.39 4.45 2kv1A12 THR 56 HB 0.00 0.07 -0.73 -0.04 4.32 3.63 2kv1A12 THR 56 HG23 0.01 -0.00 -0.13 -0.04 1.22 1.06 2kv1A12 LYS 57 H -0.01 0.22 0.16 -0.55 8.42 8.24 2kv1A12 LYS 57 HA 0.02 0.06 0.97 -0.75 4.32 4.62 2kv1A12 LYS 57 HB2 -0.00 0.11 -0.09 -0.04 1.87 1.85 2kv1A12 LYS 57 HB3 0.02 -0.12 -0.13 -0.04 1.79 1.51 2kv1A12 LYS 57 HG2 -0.06 0.01 -0.13 -0.04 1.46 1.23 2kv1A12 LYS 57 HG3 -0.03 -0.09 -0.06 -0.04 1.46 1.24 2kv1A12 LYS 57 HD2 -0.05 0.03 -0.02 -0.04 1.69 1.60 2kv1A12 LYS 57 HD3 -0.03 0.02 -0.01 -0.04 1.68 1.63 2kv1A12 LYS 57 HE2 -0.04 0.02 -0.09 -0.04 2.99 2.84 2kv1A12 LYS 57 HE3 -0.03 0.02 -0.17 -0.04 2.99 2.76 2kv1A12 CYS 58 H 0.00 0.79 0.38 -0.55 8.50 9.13 2kv1A12 CYS 58 HA -0.00 0.14 0.75 -0.75 4.58 4.72 2kv1A12 CYS 58 HB2 -0.00 0.07 0.04 -0.04 2.97 3.05 2kv1A12 CYS 58 HB3 -0.00 0.07 -0.15 -0.04 2.97 2.84 2kv1A12 PRO 59 HA -0.00 -0.02 0.55 -0.51 4.44 4.46 2kv1A12 PRO 59 HB2 -0.01 0.20 -0.02 -0.04 2.28 2.42 2kv1A12 PRO 59 HB3 -0.01 0.01 0.09 -0.04 2.02 2.07 2kv1A12 PRO 59 HG2 -0.01 0.02 0.05 -0.04 2.03 2.05 2kv1A12 PRO 59 HG3 -0.01 0.05 0.06 -0.04 2.03 2.09 2kv1A12 PRO 59 HD2 -0.00 0.10 0.23 -0.04 3.68 3.96 2kv1A12 PRO 59 HD3 -0.01 0.13 0.19 -0.04 3.65 3.92 2kv1A12 GLU 60 H -0.01 0.42 0.43 -0.55 8.60 8.89 2kv1A12 GLU 60 HA 0.00 0.10 0.91 -0.75 4.29 4.55 2kv1A12 GLU 60 HB2 -0.03 0.36 0.17 -0.04 2.09 2.55 2kv1A12 GLU 60 HB3 -0.01 -0.26 0.10 -0.04 1.99 1.78 2kv1A12 GLU 60 HG2 0.04 -0.07 -0.04 -0.04 2.34 2.24 2kv1A12 GLU 60 HG3 0.02 0.02 -0.05 -0.04 2.34 2.29 2kv1A12 LYS 61 H -0.01 0.06 0.16 -0.55 8.42 8.08 2kv1A12 LYS 61 HA -0.01 0.24 0.66 -0.75 4.32 4.46 2kv1A12 LYS 61 HB2 -0.01 0.04 0.02 -0.04 1.87 1.89 2kv1A12 LYS 61 HB3 -0.01 0.08 0.01 -0.04 1.79 1.84 2kv1A12 LYS 61 HG2 -0.00 -0.18 0.19 -0.04 1.46 1.44 2kv1A12 LYS 61 HG3 -0.00 0.05 0.05 -0.04 1.46 1.52 2kv1A12 LYS 61 HD2 -0.00 0.03 -0.01 -0.04 1.69 1.67 2kv1A12 LYS 61 HD3 -0.00 0.04 -0.07 -0.04 1.68 1.60 2kv1A12 LYS 61 HE2 0.00 0.13 0.04 -0.04 2.99 3.13 2kv1A12 LYS 61 HE3 0.01 -0.09 0.10 -0.04 2.99 2.97 2kv1A12 ASN 62 H -0.01 -0.00 0.17 -0.55 8.53 8.14 2kv1A12 ASN 62 HA -0.01 0.16 0.53 -0.75 4.76 4.68 2kv1A12 ASN 62 HB2 -0.01 0.05 0.07 -0.04 2.88 2.95 2kv1A12 ASN 62 HB3 -0.01 0.04 0.11 -0.04 2.79 2.89 2kv1A12 ASN 62 HD21 -0.00 0.03 0.05 -0.04 7.03 7.07 2kv1A12 ASN 62 HD22 0.00 0.04 0.03 -0.04 7.74 7.77 2kv1A12 ARG 63 H -0.03 -0.03 -0.62 -0.55 8.46 7.24 2kv1A12 ARG 63 HA -0.05 0.24 0.76 -0.75 4.34 4.53 2kv1A12 ARG 63 HB2 -0.07 -0.03 0.10 -0.04 1.90 1.86 2kv1A12 ARG 63 HB3 -0.11 0.03 0.04 -0.04 1.80 1.72 2kv1A12 ARG 63 HG2 -0.04 0.21 -0.31 -0.04 1.67 1.48 2kv1A12 ARG 63 HG3 -0.03 -0.15 -0.27 -0.04 1.67 1.18 2kv1A12 ARG 63 HD2 -0.04 -0.02 -0.06 -0.04 3.22 3.05 2kv1A12 ARG 63 HD3 -0.08 0.03 -0.06 -0.04 3.22 3.08 2kv1A12 PRO 64 HA -0.04 0.18 0.14 -0.51 4.44 4.21 2kv1A12 PRO 64 HB2 -0.02 0.02 0.17 -0.04 2.28 2.41 2kv1A12 PRO 64 HB3 -0.02 0.09 0.07 -0.04 2.02 2.12 2kv1A12 PRO 64 HG2 -0.02 0.02 -0.03 -0.04 2.03 1.96 2kv1A12 PRO 64 HG3 -0.02 0.05 0.01 -0.04 2.03 2.03 2kv1A12 PRO 64 HD2 -0.04 0.11 0.02 -0.04 3.68 3.74 2kv1A12 PRO 64 HD3 -0.03 0.19 -0.27 -0.04 3.65 3.50 2kv1A12 GLU 65 H -0.13 0.39 -0.53 -0.55 8.60 7.78 2kv1A12 GLU 65 HA -0.05 0.18 0.75 -0.75 4.29 4.42 2kv1A12 GLU 65 HB2 -0.26 -0.01 -0.10 -0.04 2.09 1.67 2kv1A12 GLU 65 HB3 -0.02 -0.03 0.06 -0.04 1.99 1.97 2kv1A12 GLU 65 HG2 -0.02 0.13 -0.45 -0.04 2.34 1.96 2kv1A12 GLU 65 HG3 -0.06 -0.05 -0.24 -0.04 2.34 1.95 2kv1A12 ALA 66 H -0.16 0.38 0.26 -0.55 8.40 8.33 2kv1A12 ALA 66 HA -0.13 0.05 0.81 -0.75 4.34 4.32 2kv1A12 ALA 66 HB3 -0.56 0.02 -0.08 -0.04 1.41 0.75 2kv1A12 LEU 67 H 0.03 0.57 0.33 -0.55 8.37 8.76 2kv1A12 LEU 67 HA 0.02 -0.00 0.97 -0.75 4.35 4.59 2kv1A12 LEU 67 HB2 0.01 0.06 -0.22 -0.04 1.64 1.44 2kv1A12 LEU 67 HB3 0.00 0.00 -0.09 -0.04 1.64 1.52 2kv1A12 LEU 67 HG 0.03 0.17 0.10 -0.04 1.64 1.90 2kv1A12 LEU 67 HD13 0.01 -0.04 -0.35 -0.04 0.93 0.51 2kv1A12 LEU 67 HD23 -0.01 -0.00 -0.12 -0.04 0.89 0.72 2kv1A12 LYS 68 H 0.02 0.63 0.33 -0.55 8.42 8.85 2kv1A12 LYS 68 HA -0.15 0.13 1.07 -0.75 4.32 4.62 2kv1A12 LYS 68 HB2 -0.23 0.11 0.05 -0.04 1.87 1.76 2kv1A12 LYS 68 HB3 -0.03 -0.05 0.01 -0.04 1.79 1.68 2kv1A12 LYS 68 HG2 0.01 0.05 0.03 -0.04 1.46 1.51 2kv1A12 LYS 68 HG3 -0.02 -0.08 -0.05 -0.04 1.46 1.27 2kv1A12 LYS 68 HD2 -0.02 0.09 -0.04 -0.04 1.69 1.69 2kv1A12 LYS 68 HD3 0.04 -0.05 -0.03 -0.04 1.68 1.60 2kv1A12 LYS 68 HE2 0.01 -0.04 -0.03 -0.04 2.99 2.90 2kv1A12 LYS 68 HE3 0.01 0.07 -0.09 -0.04 2.99 2.93 2kv1A12 VAL 69 H -0.10 0.69 -0.16 -0.55 8.24 8.13 2kv1A12 VAL 69 HA 0.04 0.12 0.89 -0.75 4.13 4.42 2kv1A12 VAL 69 HB 0.13 -0.10 -0.18 -0.04 2.12 1.93 2kv1A12 VAL 69 HG13 0.11 -0.01 -0.28 -0.04 0.97 0.76 2kv1A12 VAL 69 HG23 0.15 0.01 -0.41 -0.04 0.95 0.66 2kv1A12 SER 70 H 0.07 0.65 0.30 -0.55 8.46 8.93 2kv1A12 SER 70 HA 0.18 -0.07 0.93 -0.75 4.49 4.78 2kv1A12 SER 70 HB2 0.04 -0.06 -0.10 -0.04 3.95 3.80 2kv1A12 SER 70 HB3 0.03 -0.01 0.13 -0.04 3.93 4.04 2kv1A12 CYS 71 H 0.16 0.32 0.04 -0.55 8.50 8.47 2kv1A12 CYS 71 HA 0.14 0.11 1.03 -0.75 4.58 5.10 2kv1A12 CYS 71 HB2 0.36 0.07 0.18 -0.04 2.97 3.55 2kv1A12 CYS 71 HB3 0.06 -0.03 0.31 -0.04 2.97 3.27 2kv1A12 GLY 72 H 0.06 0.35 0.02 -0.55 8.43 8.30 2kv1A12 GLY 72 HA2 0.01 0.09 0.55 -0.51 4.01 4.15 2kv1A12 GLY 72 HA3 0.02 0.17 0.37 -0.51 4.01 4.06 2kv1A12 LYS 73 H 0.04 -0.19 -0.52 -0.55 8.42 7.20 2kv1A12 LYS 73 HA 0.02 0.20 0.61 -0.75 4.32 4.39 2kv1A12 LYS 73 HB2 0.04 -0.19 0.11 -0.04 1.87 1.78 2kv1A12 LYS 73 HB3 0.03 0.07 0.00 -0.04 1.79 1.85 2kv1A12 LYS 73 HG2 0.01 0.14 -0.05 -0.04 1.46 1.52 2kv1A12 LYS 73 HG3 0.02 -0.09 -0.30 -0.04 1.46 1.06 2kv1A12 LYS 73 HD2 0.02 -0.07 0.01 -0.04 1.69 1.61 2kv1A12 LYS 73 HD3 0.01 0.09 -0.00 -0.04 1.68 1.74 2kv1A12 LYS 73 HE2 -0.00 0.11 0.01 -0.04 2.99 3.06 2kv1A12 LYS 73 HE3 -0.00 -0.26 0.04 -0.04 2.99 2.72 2kv1A12 CYS 74 H 0.03 -0.12 0.05 -0.55 8.50 7.91 2kv1A12 CYS 74 HA 0.01 0.19 0.49 -0.75 4.58 4.52 2kv1A12 CYS 74 HB2 0.01 0.13 0.04 -0.04 2.97 3.10 2kv1A12 CYS 74 HB3 0.03 -0.04 0.05 -0.04 2.97 2.97 2kv1A12 GLY 75 H -0.00 0.02 0.06 -0.55 8.43 7.96 2kv1A12 GLY 75 HA2 -0.01 0.06 0.30 -0.51 4.01 3.84 2kv1A12 GLY 75 HA3 -0.02 0.21 0.71 -0.51 4.01 4.39 2kv1A12 ASN 76 H -0.05 0.52 0.33 -0.55 8.53 8.79 2kv1A12 ASN 76 HA -0.16 0.24 0.71 -0.75 4.76 4.79 2kv1A12 ASN 76 HB2 -0.24 0.06 -0.04 -0.04 2.88 2.61 2kv1A12 ASN 76 HB3 -0.42 -0.17 0.15 -0.04 2.79 2.30 2kv1A12 ASN 76 HD21 -1.95 -0.07 0.07 -0.04 7.03 5.04 2kv1A12 ASN 76 HD22 -1.00 0.05 0.08 -0.04 7.74 6.84 2kv1A12 GLY 77 H -0.18 0.22 0.09 -0.55 8.43 8.01 2kv1A12 GLY 77 HA2 0.05 0.04 0.76 -0.51 4.01 4.35 2kv1A12 GLY 77 HA3 -0.02 0.13 0.16 -0.51 4.01 3.77 2kv1A12 LEU 78 H 0.13 0.01 0.26 -0.55 8.37 8.22 2kv1A12 LEU 78 HA 0.04 0.25 0.76 -0.75 4.35 4.64 2kv1A12 LEU 78 HB2 0.24 -0.05 -0.00 -0.04 1.64 1.78 2kv1A12 LEU 78 HB3 0.08 0.09 0.12 -0.04 1.64 1.89 2kv1A12 LEU 78 HG -0.38 -0.18 0.11 -0.04 1.64 1.14 2kv1A12 LEU 78 HD13 -0.16 0.02 0.04 -0.04 0.93 0.79 2kv1A12 LEU 78 HD23 -0.08 0.06 -0.16 -0.04 0.89 0.67 2kv1A12 GLY 79 H 0.23 0.35 0.31 -0.55 8.43 8.78 2kv1A12 GLY 79 HA2 0.07 0.14 0.84 -0.51 4.01 4.55 2kv1A12 GLY 79 HA3 -0.01 -0.05 0.49 -0.51 4.01 3.93 2kv1A12 HIS 80 H 0.12 0.87 0.46 -0.55 8.41 9.32 2kv1A12 HIS 80 HA 0.12 0.13 0.98 -0.75 4.63 5.11 2kv1A12 HIS 80 HB2 0.11 -0.02 0.06 -0.04 3.26 3.37 2kv1A12 HIS 80 HB3 0.11 0.03 -0.01 -0.04 3.20 3.29 2kv1A12 HIS 80 HD2 0.02 0.01 -0.18 -0.04 6.97 6.78 2kv1A12 HIS 80 HE1 0.05 0.01 -0.07 -0.04 7.75 7.70 2kv1A12 GLU 81 H 0.22 0.85 0.21 -0.55 8.60 9.33 2kv1A12 GLU 81 HA 0.35 0.14 0.87 -0.75 4.29 4.90 2kv1A12 GLU 81 HB2 0.14 -0.05 -0.23 -0.04 2.09 1.91 2kv1A12 GLU 81 HB3 0.07 -0.02 0.03 -0.04 1.99 2.03 2kv1A12 GLU 81 HG2 0.01 -0.01 -0.15 -0.04 2.34 2.15 2kv1A12 GLU 81 HG3 -0.13 0.06 -0.09 -0.04 2.34 2.14 2kv1A12 PHE 82 H 0.32 0.80 0.25 -0.55 8.34 9.15 2kv1A12 PHE 82 HA 0.05 0.02 0.96 -0.75 4.62 4.90 2kv1A12 PHE 82 HB2 0.06 -0.03 0.13 -0.04 3.15 3.27 2kv1A12 PHE 82 HB3 0.04 0.01 0.36 -0.04 3.06 3.43 2kv1A12 PHE 82 HD2 -0.00 -0.00 -0.06 -0.04 7.28 7.17 2kv1A12 PHE 82 HE2 -0.01 -0.02 -0.04 -0.04 7.38 7.27 2kv1A12 PHE 82 HZ -0.01 -0.02 -0.06 -0.04 7.32 7.19 2kv1A12 LEU 83 H 0.15 0.29 0.20 -0.55 8.37 8.47 2kv1A12 LEU 83 HA 0.10 0.16 0.83 -0.75 4.35 4.68 2kv1A12 LEU 83 HB2 0.06 -0.04 -0.29 -0.04 1.64 1.33 2kv1A12 LEU 83 HB3 0.03 0.04 -0.10 -0.04 1.64 1.57 2kv1A12 LEU 83 HG 0.02 -0.09 0.08 -0.04 1.64 1.61 2kv1A12 LEU 83 HD13 0.02 0.04 0.04 -0.04 0.93 0.99 2kv1A12 LEU 83 HD23 -0.03 0.00 -0.05 -0.04 0.89 0.77 2kv1A12 ASN 84 H 0.04 0.24 0.12 -0.55 8.53 8.38 2kv1A12 ASN 84 HA 0.02 0.05 0.29 -0.75 4.76 4.38 2kv1A12 ASN 84 HB2 0.02 0.13 -0.03 -0.04 2.88 2.95 2kv1A12 ASN 84 HB3 0.01 0.02 0.11 -0.04 2.79 2.88 2kv1A12 ASN 84 HD21 0.00 0.04 0.03 -0.04 7.03 7.06 2kv1A12 ASN 84 HD22 -0.01 0.02 -0.03 -0.04 7.74 7.68 2kv1A12 ASP 85 H 0.10 0.09 -0.90 -0.55 8.40 7.14 2kv1A12 ASP 85 HA 0.05 0.17 0.60 -0.75 4.63 4.69 2kv1A12 ASP 85 HB2 0.12 0.18 0.05 -0.04 2.71 3.02 2kv1A12 ASP 85 HB3 0.26 -0.07 -0.02 -0.04 2.70 2.82 2kv1A12 GLY 86 H 0.05 0.04 -0.15 -0.55 8.43 7.83 2kv1A12 GLY 86 HA2 0.02 0.19 0.71 -0.51 4.01 4.42 2kv1A12 GLY 86 HA3 0.00 -0.04 0.26 -0.51 4.01 3.73 2kv1A12 PRO 87 HA 0.00 0.13 0.14 -0.51 4.44 4.20 2kv1A12 PRO 87 HB2 0.00 0.04 -0.01 -0.04 2.28 2.27 2kv1A12 PRO 87 HB3 0.01 -0.02 0.04 -0.04 2.02 2.01 2kv1A12 PRO 87 HG2 0.01 -0.01 -0.03 -0.04 2.03 1.96 2kv1A12 PRO 87 HG3 0.01 0.12 -0.02 -0.04 2.03 2.10 2kv1A12 PRO 87 HD2 0.02 0.24 -0.26 -0.04 3.68 3.63 2kv1A12 PRO 87 HD3 0.02 0.13 -0.61 -0.04 3.65 3.14 2kv1A12 LYS 88 H 0.00 0.05 -0.40 -0.55 8.42 7.51 2kv1A12 LYS 88 HA -0.00 0.05 0.48 -0.75 4.32 4.10 2kv1A12 LYS 88 HB2 -0.00 -0.03 -0.03 -0.04 1.87 1.76 2kv1A12 LYS 88 HB3 -0.00 -0.00 0.01 -0.04 1.79 1.75 2kv1A12 LYS 88 HG2 0.00 0.01 0.02 -0.04 1.46 1.45 2kv1A12 LYS 88 HG3 0.00 -0.01 0.00 -0.04 1.46 1.41 2kv1A12 LYS 88 HD2 0.00 0.01 0.00 -0.04 1.69 1.66 2kv1A12 LYS 88 HD3 0.00 0.00 -0.01 -0.04 1.68 1.64 2kv1A12 LYS 88 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.93 2kv1A12 LYS 88 HE3 0.00 -0.00 0.00 -0.04 2.99 2.95 2kv1A12 ARG 89 H -0.01 0.30 -0.12 -0.55 8.46 8.08 2kv1A12 ARG 89 HA -0.01 0.12 0.70 -0.75 4.34 4.40 2kv1A12 ARG 89 HB2 -0.02 0.13 0.13 -0.04 1.90 2.10 2kv1A12 ARG 89 HB3 -0.03 -0.16 0.17 -0.04 1.80 1.74 2kv1A12 ARG 89 HG2 -0.02 -0.01 0.03 -0.04 1.67 1.62 2kv1A12 ARG 89 HG3 -0.01 0.06 0.01 -0.04 1.67 1.69 2kv1A12 ARG 89 HD2 -0.01 -0.10 -0.35 -0.04 3.22 2.72 2kv1A12 ARG 89 HD3 -0.01 0.01 -0.03 -0.04 3.22 3.15 2kv1A12 GLY 90 H -0.02 0.09 0.12 -0.55 8.43 8.07 2kv1A12 GLY 90 HA2 -0.01 0.19 0.66 -0.51 4.01 4.33 2kv1A12 GLY 90 HA3 -0.02 -0.02 0.33 -0.51 4.01 3.79 2kv1A12 GLN 91 H -0.04 -0.02 -0.38 -0.55 8.47 7.49 2kv1A12 GLN 91 HA -0.11 0.02 0.30 -0.75 4.36 3.81 2kv1A12 GLN 91 HB2 -0.05 0.03 0.05 -0.04 2.15 2.14 2kv1A12 GLN 91 HB3 -0.12 0.01 -0.03 -0.04 2.02 1.84 2kv1A12 GLN 91 HG2 -0.10 0.04 0.02 -0.04 2.40 2.31 2kv1A12 GLN 91 HG3 -0.06 -0.10 0.05 -0.04 2.39 2.25 2kv1A12 GLN 91 HE21 -0.09 0.01 -0.02 -0.04 6.97 6.84 2kv1A12 GLN 91 HE22 -0.04 0.01 -0.02 -0.04 7.69 7.60 2kv1A12 SER 92 H -0.16 0.19 0.15 -0.55 8.46 8.10 2kv1A12 SER 92 HA -0.02 0.11 0.65 -0.75 4.49 4.48 2kv1A12 SER 92 HB2 -0.07 0.01 0.01 -0.04 3.95 3.85 2kv1A12 SER 92 HB3 -0.00 0.01 0.04 -0.04 3.93 3.93 2kv1A12 ARG 93 H 0.02 0.57 0.28 -0.55 8.46 8.77 2kv1A12 ARG 93 HA -0.03 0.24 0.39 -0.75 4.34 4.18 2kv1A12 ARG 93 HB2 -0.05 0.01 0.07 -0.04 1.90 1.89 2kv1A12 ARG 93 HB3 -0.20 0.09 0.18 -0.04 1.80 1.84 2kv1A12 ARG 93 HG2 -0.40 -0.02 0.06 -0.04 1.67 1.28 2kv1A12 ARG 93 HG3 0.06 -0.07 0.07 -0.04 1.67 1.68 2kv1A12 ARG 93 HD2 -0.14 -0.03 -0.02 -0.04 3.22 3.00 2kv1A12 ARG 93 HD3 -0.07 0.02 -0.02 -0.04 3.22 3.10 2kv1A12 PHE 94 H 0.22 0.82 0.20 -0.55 8.34 9.02 2kv1A12 PHE 94 HA 0.13 0.17 1.01 -0.75 4.62 5.17 2kv1A12 PHE 94 HB2 0.09 0.06 -0.20 -0.04 3.15 3.06 2kv1A12 PHE 94 HB3 0.17 -0.05 -0.47 -0.04 3.06 2.67 2kv1A12 PHE 94 HD2 0.12 0.11 -0.17 -0.04 7.28 7.30 2kv1A12 PHE 94 HE2 -0.04 -0.02 -0.22 -0.04 7.38 7.07 2kv1A12 PHE 94 HZ -0.00 -0.08 -0.19 -0.04 7.32 7.01 2kv1A12 CYS 95 H 0.11 0.82 0.37 -0.55 8.50 9.25 2kv1A12 CYS 95 HA -0.07 0.11 0.84 -0.75 4.58 4.70 2kv1A12 CYS 95 HB2 0.04 0.03 -0.21 -0.04 2.97 2.78 2kv1A12 CYS 95 HB3 0.09 -0.03 0.06 -0.04 2.97 3.04 2kv1A12 ILE 96 H -0.14 0.27 0.20 -0.55 8.25 8.03 2kv1A12 ILE 96 HA -0.24 0.07 0.94 -0.75 4.18 4.20 2kv1A12 ILE 96 HB -0.48 0.09 -0.10 -0.04 1.89 1.35 2kv1A12 ILE 96 HG12 -0.33 0.00 -0.18 -0.04 1.49 0.95 2kv1A12 ILE 96 HG13 -0.63 0.05 -0.51 -0.04 1.21 0.07 2kv1A12 ILE 96 HG23 -1.04 -0.03 0.01 -0.04 0.93 -0.17 2kv1A12 ILE 96 HD13 -0.75 0.03 -0.14 -0.04 0.88 -0.03 2kv1A12 PHE 97 H -0.94 0.09 0.10 -0.55 8.34 7.04 2kv1A12 PHE 97 HA -0.01 0.14 0.42 -0.75 4.62 4.42 2kv1A12 PHE 97 HB2 -0.00 -0.21 0.26 -0.04 3.15 3.16 2kv1A12 PHE 97 HB3 -0.00 0.13 0.12 -0.04 3.06 3.26 2kv1A12 PHE 97 HD2 0.00 0.03 0.04 -0.04 7.28 7.31 2kv1A12 PHE 97 HE2 0.01 0.03 0.09 -0.04 7.38 7.47 2kv1A12 PHE 97 HZ 0.02 -0.02 -0.02 -0.04 7.32 7.26 2kv1A12 SER 98 H -0.00 0.50 0.46 -0.55 8.46 8.87 2kv1A12 SER 98 HA 0.03 0.11 0.40 -0.75 4.49 4.28 2kv1A12 SER 98 HB2 -0.16 0.04 0.07 -0.04 3.95 3.86 2kv1A12 SER 98 HB3 -0.06 0.07 0.17 -0.04 3.93 4.07 2kv1A12 SER 99 H 0.05 -0.10 -0.38 -0.55 8.46 7.49 2kv1A12 SER 99 HA -0.01 0.20 0.69 -0.75 4.49 4.61 2kv1A12 SER 99 HB2 -0.03 0.01 0.01 -0.04 3.95 3.89 2kv1A12 SER 99 HB3 0.02 -0.09 0.05 -0.04 3.93 3.87 2kv1A12 SER 100 H 0.17 -0.03 0.00 -0.55 8.46 8.06 2kv1A12 SER 100 HA 0.04 0.18 0.66 -0.75 4.49 4.62 2kv1A12 SER 100 HB2 -0.06 -0.01 0.11 -0.04 3.95 3.95 2kv1A12 SER 100 HB3 0.04 -0.08 0.19 -0.04 3.93 4.04 2kv1A12 LEU 101 H 0.27 0.55 0.12 -0.55 8.37 8.76 2kv1A12 LEU 101 HA 0.16 0.08 0.71 -0.75 4.35 4.54 2kv1A12 LEU 101 HB2 0.14 0.09 0.08 -0.04 1.64 1.91 2kv1A12 LEU 101 HB3 0.31 -0.23 0.07 -0.04 1.64 1.75 2kv1A12 LEU 101 HG 0.02 0.12 -0.22 -0.04 1.64 1.52 2kv1A12 LEU 101 HD13 0.03 0.04 -0.25 -0.04 0.93 0.71 2kv1A12 LEU 101 HD23 -0.42 -0.07 -0.14 -0.04 0.89 0.22 2kv1A12 LYS 102 H 0.13 0.40 0.15 -0.55 8.42 8.55 2kv1A12 LYS 102 HA 0.14 0.24 0.69 -0.75 4.32 4.63 2kv1A12 LYS 102 HB2 0.07 -0.04 -0.12 -0.04 1.87 1.74 2kv1A12 LYS 102 HB3 0.08 0.03 0.04 -0.04 1.79 1.90 2kv1A12 LYS 102 HG2 0.08 0.01 -0.12 -0.04 1.46 1.38 2kv1A12 LYS 102 HG3 0.05 0.00 -0.08 -0.04 1.46 1.40 2kv1A12 LYS 102 HD2 0.09 -0.06 -0.64 -0.04 1.69 1.04 2kv1A12 LYS 102 HD3 0.06 0.03 -0.08 -0.04 1.68 1.65 2kv1A12 LYS 102 HE2 0.05 -0.06 -0.06 -0.04 2.99 2.88 2kv1A12 LYS 102 HE3 0.07 0.03 -0.17 -0.04 2.99 2.88 2kv1A12 PHE 103 H 0.18 0.26 0.17 -0.55 8.34 8.39 2kv1A12 PHE 103 HA -0.30 0.17 0.96 -0.75 4.62 4.69 2kv1A12 PHE 103 HB2 -0.11 -0.01 -0.09 -0.04 3.15 2.90 2kv1A12 PHE 103 HB3 0.00 0.00 0.12 -0.04 3.06 3.14 2kv1A12 PHE 103 HD2 -0.91 -0.00 -0.15 -0.04 7.28 6.18 2kv1A12 PHE 103 HE2 -0.27 -0.03 -0.22 -0.04 7.38 6.83 2kv1A12 PHE 103 HZ -0.12 0.08 -0.21 -0.04 7.32 7.02 2kv1A12 VAL 104 H -0.53 0.69 0.20 -0.55 8.24 8.06 2kv1A12 VAL 104 HA -0.34 0.21 0.88 -0.75 4.13 4.12 2kv1A12 VAL 104 HB -0.14 -0.00 -0.11 -0.04 2.12 1.82 2kv1A12 VAL 104 HG13 -0.14 -0.02 -0.07 -0.04 0.97 0.70 2kv1A12 VAL 104 HG23 -0.14 0.01 -0.06 -0.04 0.95 0.72 2kv1A12 PRO 105 HA -0.62 0.00 0.69 -0.51 4.44 4.00 2kv1A12 PRO 105 HB2 -0.16 0.11 0.01 -0.04 2.28 2.20 2kv1A12 PRO 105 HB3 -0.23 0.01 0.09 -0.04 2.02 1.84 2kv1A12 PRO 105 HG2 -0.17 0.01 0.08 -0.04 2.03 1.91 2kv1A12 PRO 105 HG3 -0.11 0.03 0.05 -0.04 2.03 1.96 2kv1A12 PRO 105 HD2 -0.28 0.10 0.24 -0.04 3.68 3.69 2kv1A12 PRO 105 HD3 -0.64 0.16 -0.06 -0.04 3.65 3.08 2kv1A12 LYS 106 H -0.19 0.44 0.00 -0.55 8.42 8.12 2kv1A12 LYS 106 HA -0.10 0.20 0.77 -0.75 4.32 4.44 2kv1A12 LYS 106 HB2 -0.12 0.03 -0.17 -0.04 1.87 1.58 2kv1A12 LYS 106 HB3 -0.09 -0.02 -0.03 -0.04 1.79 1.61 2kv1A12 LYS 106 HG2 -0.02 0.02 -0.00 -0.04 1.46 1.41 2kv1A12 LYS 106 HG3 -0.03 -0.13 0.12 -0.04 1.46 1.38 2kv1A12 LYS 106 HD2 -0.11 0.18 -0.29 -0.04 1.69 1.43 2kv1A12 LYS 106 HD3 -0.06 -0.01 -0.10 -0.04 1.68 1.47 2kv1A12 LYS 106 HE2 -0.04 -0.03 0.04 -0.04 2.99 2.92 2kv1A12 LYS 106 HE3 -0.06 0.05 -0.03 -0.04 2.99 2.91 2kv1A12 GLY 107 H -0.01 0.15 0.09 -0.55 8.43 8.11 2kv1A12 GLY 107 HA2 0.19 0.01 0.35 -0.51 4.01 4.05 2kv1A12 GLY 107 HA3 -0.08 0.06 0.21 -0.51 4.01 3.69 2kv1A12 LYS 108 H 0.04 0.09 -0.08 -0.55 8.42 7.91 2kv1A12 LYS 108 HA -0.00 0.15 0.12 -0.75 4.32 3.84 2kv1A12 LYS 108 HB2 0.02 -0.07 0.05 -0.04 1.87 1.83 2kv1A12 LYS 108 HB3 0.02 0.06 -0.11 -0.04 1.79 1.72 2kv1A12 LYS 108 HG2 -0.01 0.03 -0.04 -0.04 1.46 1.40 2kv1A12 LYS 108 HG3 -0.02 0.01 -0.03 -0.04 1.46 1.38 2kv1A12 LYS 108 HD2 -0.05 0.11 -0.29 -0.04 1.69 1.42 2kv1A12 LYS 108 HD3 -0.04 -0.18 -0.24 -0.04 1.68 1.18 2kv1A12 LYS 108 HE2 -0.05 -0.04 -0.08 -0.04 2.99 2.78 2kv1A12 LYS 108 HE3 -0.09 0.24 -0.24 -0.04 2.99 2.86 2kv1A12 GLU 109 H 0.08 -0.03 -0.24 -0.55 8.60 7.87 2kv1A12 GLU 109 HA 0.03 0.03 0.46 -0.75 4.29 4.06 2kv1A12 GLU 109 HB2 0.09 0.05 0.10 -0.04 2.09 2.30 2kv1A12 GLU 109 HB3 0.11 -0.12 0.09 -0.04 1.99 2.02 2kv1A12 GLU 109 HG2 0.10 0.06 -0.23 -0.04 2.34 2.22 2kv1A12 GLU 109 HG3 0.15 0.07 -0.01 -0.04 2.34 2.50 2kv1A12 ALA 110 H 0.18 0.02 -0.08 -0.55 8.40 7.97 2kv1A12 ALA 110 HA 0.07 -0.01 0.43 -0.75 4.34 4.08 2kv1A12 ALA 110 HB3 0.13 0.06 0.17 -0.04 1.41 1.73 2kv1A12 ALA 111 H -0.07 0.15 0.25 -0.55 8.40 8.18 2kv1A12 ALA 111 HA -0.14 -0.03 0.38 -0.75 4.34 3.80 2kv1A12 ALA 111 HB3 -0.51 0.03 -0.05 -0.04 1.41 0.85 2kv1A12 ALA 112 H -0.04 0.07 -0.01 -0.55 8.40 7.87 2kv1A12 ALA 112 HA -0.02 0.03 0.23 -0.75 4.34 3.82 2kv1A12 ALA 112 HB3 0.00 0.04 -0.06 -0.04 1.41 1.36 2kv1A12 SER 113 H -0.04 0.25 0.13 -0.55 8.46 8.26 2kv1A12 SER 113 HA -0.02 0.24 0.41 -0.75 4.49 4.36 2kv1A12 SER 113 HB2 -0.00 0.08 -0.04 -0.04 3.95 3.95 2kv1A12 SER 113 HB3 -0.02 -0.04 -0.22 -0.04 3.93 3.60 2kv1A12 GLN 114 H 0.02 0.27 0.11 -0.55 8.47 8.32 2kv1A12 GLN 114 HA -0.02 0.11 0.90 -0.75 4.36 4.60 2kv1A12 GLN 114 HB2 -0.05 0.08 0.04 -0.04 2.15 2.18 2kv1A12 GLN 114 HB3 0.03 -0.00 0.09 -0.04 2.02 2.10 2kv1A12 GLN 114 HG2 0.01 0.01 -0.00 -0.04 2.40 2.37 2kv1A12 GLN 114 HG3 0.02 0.02 -0.05 -0.04 2.39 2.34 2kv1A12 GLN 114 HE21 0.02 -0.00 0.03 -0.04 6.97 6.97 2kv1A12 GLN 114 HE22 -0.05 -0.02 0.03 -0.04 7.69 7.61 2kv1A12 GLY 115 H 0.03 0.15 0.14 -0.55 8.43 8.20 2kv1A12 GLY 115 HA2 0.02 0.05 0.40 -0.51 4.01 3.96 2kv1A12 GLY 115 HA3 0.02 0.01 0.32 -0.51 4.01 3.85 2kv1A12 HIS 116 H -0.12 0.26 0.30 -0.55 8.41 8.31 2kv1A12 HIS 116 HA 0.01 0.12 0.76 -0.75 4.63 4.77 2kv1A12 HIS 116 HB2 0.01 -0.03 0.07 -0.04 3.26 3.27 2kv1A12 HIS 116 HB3 0.01 0.05 -0.19 -0.04 3.20 3.02 2kv1A12 HIS 116 HD2 0.01 -0.03 -0.15 -0.04 6.97 6.76 2kv1A12 HIS 116 HE1 0.00 -0.00 0.06 -0.04 7.75 7.77 2kv1A12 LEU 117 H 0.08 0.25 0.19 -0.55 8.37 8.34 2kv1A12 LEU 117 HA -0.04 0.11 0.64 -0.75 4.35 4.29 2kv1A12 LEU 117 HB2 -0.01 -0.05 -0.28 -0.04 1.64 1.27 2kv1A12 LEU 117 HB3 0.03 0.01 -0.09 -0.04 1.64 1.54 2kv1A12 LEU 117 HG -0.07 0.14 0.14 -0.04 1.64 1.81 2kv1A12 LEU 117 HD13 -0.00 -0.01 -0.03 -0.04 0.93 0.85 2kv1A12 LEU 117 HD23 0.00 0.01 0.14 -0.04 0.89 1.00 2kv1A12 GLU 118 H 0.03 0.27 0.20 -0.55 8.60 8.55 2kv1A12 GLU 118 HA -0.07 0.13 0.68 -0.75 4.29 4.28 2kv1A12 GLU 118 HB2 -0.01 -0.13 0.15 -0.04 2.09 2.05 2kv1A12 GLU 118 HB3 0.02 0.09 -0.15 -0.04 1.99 1.91 2kv1A12 GLU 118 HG2 0.07 0.03 -0.09 -0.04 2.34 2.32 2kv1A12 GLU 118 HG3 0.07 -0.03 -0.04 -0.04 2.34 2.29 2kv1A12 HIS 119 H -0.20 -0.05 0.20 -0.55 8.41 7.82 2kv1A12 HIS 119 HA -0.02 0.12 0.53 -0.75 4.63 4.50 2kv1A12 HIS 119 HB2 -0.03 0.08 0.08 -0.04 3.26 3.35 2kv1A12 HIS 119 HB3 -0.01 0.07 0.06 -0.04 3.20 3.28 2kv1A12 HIS 119 HD2 0.00 0.25 -0.13 -0.04 6.97 7.04 2kv1A12 HIS 119 HE1 -0.00 0.01 -0.04 -0.04 7.75 7.68 2kv1A12 HIS 120 H -0.24 -0.12 0.19 -0.55 8.41 7.70 2kv1A12 HIS 120 HA 0.03 -0.00 0.32 -0.75 4.63 4.23 2kv1A12 HIS 120 HB2 0.07 0.01 0.21 -0.04 3.26 3.51 2kv1A12 HIS 120 HB3 0.01 -0.07 0.07 -0.04 3.20 3.17 2kv1A12 HIS 120 HD2 0.12 0.08 -0.05 -0.04 6.97 7.07 2kv1A12 HIS 120 HE1 0.05 -0.04 -0.06 -0.04 7.75 7.66 2kv1A12 HIS 121 H 0.36 0.26 0.22 -0.55 8.41 8.70 2kv1A12 HIS 121 HA 0.14 0.16 0.29 -0.75 4.63 4.47 2kv1A12 HIS 121 HB2 0.15 -0.01 -0.28 -0.04 3.26 3.08 2kv1A12 HIS 121 HB3 0.16 -0.03 0.00 -0.04 3.20 3.29 2kv1A12 HIS 121 HD2 0.00 0.28 0.17 -0.04 6.97 7.38 2kv1A12 HIS 121 HE1 0.00 -0.02 0.02 -0.04 7.75 7.71 2kv1A12 HIS 122 H 0.12 0.08 0.10 -0.55 8.41 8.17 2kv1A12 HIS 122 HA 0.11 0.00 0.29 -0.75 4.63 4.28 2kv1A12 HIS 122 HB2 0.13 -0.03 -0.05 -0.04 3.26 3.28 2kv1A12 HIS 122 HB3 0.12 0.17 0.30 -0.04 3.20 3.76 2kv1A12 HIS 122 HD2 0.07 0.01 0.05 -0.04 6.97 7.06 2kv1A12 HIS 122 HE1 0.02 0.03 0.05 -0.04 7.75 7.80 2kv1A12 HIS 123 H -0.51 0.07 0.10 -0.55 8.41 7.53 2kv1A12 HIS 123 HA -0.23 -0.00 0.36 -0.75 4.63 4.00 2kv1A12 HIS 123 HB2 0.10 -0.03 0.03 -0.04 3.26 3.31 2kv1A12 HIS 123 HB3 0.08 0.10 -0.14 -0.04 3.20 3.20 2kv1A12 HIS 123 HD2 0.01 -0.02 0.02 -0.04 6.97 6.93 2kv1A12 HIS 123 HE1 0.00 -0.01 -0.03 -0.04 7.75 7.67 2kv1A12 HIS 124 H -0.66 0.12 -0.04 -0.55 8.41 7.28 2kv1A12 HIS 124 HA -0.12 0.16 0.35 -0.75 4.63 4.27 2kv1A12 HIS 124 HB2 -0.07 -0.00 0.02 -0.04 3.26 3.17 2kv1A12 HIS 124 HB3 -0.05 0.21 -0.13 -0.04 3.20 3.18 2kv1A12 HIS 124 HD2 -0.09 0.01 -0.02 -0.04 6.97 6.83 2kv1A12 HIS 124 HE1 -0.17 -0.09 -0.06 -0.04 7.75 7.38