============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 7 1.000 22.115 -3.887 30.230 -99.200 -91.000 HIS 9 0.900 22.132 -0.744 24.273 -99.200 -91.000 PHE 11 1.000 22.357 3.445 18.195 -99.200 -91.000 HIS 16 0.900 23.134 4.001 10.092 -99.200 -91.000 HIS 21 0.900 18.418 6.708 6.531 -99.200 -91.000 TYR 23 0.840 8.511 0.143 6.974 -99.200 -91.000 PHE 29 1.000 6.805 6.367 7.422 -99.200 -91.000 PHE 32 1.000 8.392 13.070 9.947 -99.200 -91.000 PHE 36 1.000 16.444 6.399 17.919 -99.200 -91.000 PHE 40 1.000 15.697 2.560 12.364 -99.200 -91.000 TRP 47 1.040 21.224 -4.248 21.165 -99.200 -91.000 TRP6 47 1.020 22.316 -2.565 19.891 -99.200 -91.000 TYR 56 0.840 15.055 -16.511 32.976 -99.200 -91.000 HIS 72 0.900 9.800 8.718 19.697 -99.200 -91.000 TRP 98 1.040 13.733 -5.896 31.356 -99.200 -91.000 TRP6 98 1.020 13.371 -7.839 30.060 -99.200 -91.000 HIS 103 0.900 17.584 12.565 29.447 -99.200 -91.000 HIS 114 0.900 10.201 -5.611 24.783 -99.200 -91.000 HIS 120 0.900 14.409 -25.947 21.110 -99.200 -91.000 PHE 124 1.000 10.148 -18.106 16.288 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3kv7A1 MET 5 HA 0.05 -0.03 0.15 -0.75 4.52 3.94 3kv7A1 MET 5 HB2 0.06 0.03 0.04 -0.04 2.15 2.24 3kv7A1 MET 5 HB3 0.04 -0.04 0.09 -0.04 2.03 2.08 3kv7A1 MET 5 HG2 -0.04 -0.07 -0.10 -0.04 2.63 2.38 3kv7A1 MET 5 HG3 0.07 0.06 -0.04 -0.04 2.56 2.61 3kv7A1 MET 5 HE3 -0.23 -0.02 -0.08 -0.04 2.10 1.73 3kv7A1 ARG 6 H 0.02 0.10 0.11 -0.55 8.46 8.13 3kv7A1 ARG 6 HA -0.02 0.14 0.84 -0.75 4.34 4.53 3kv7A1 VAL 7 H -0.06 0.11 0.08 -0.55 8.24 7.83 3kv7A1 VAL 7 HA -0.10 0.04 0.36 -0.75 4.13 3.67 3kv7A1 VAL 7 HB -0.05 -0.06 0.10 -0.04 2.12 2.07 3kv7A1 VAL 7 HG13 -0.06 0.02 -0.13 -0.04 0.97 0.76 3kv7A1 VAL 7 HG23 -0.11 -0.01 -0.17 -0.04 0.95 0.61 3kv7A1 GLY 8 H -0.04 0.66 0.28 -0.55 8.43 8.79 3kv7A1 GLY 8 HA2 0.01 -0.02 0.33 -0.51 4.01 3.81 3kv7A1 GLY 8 HA3 -0.00 0.08 0.69 -0.51 4.01 4.27 3kv7A1 GLU 9 H 0.01 0.47 -0.20 -0.55 8.60 8.33 3kv7A1 GLU 9 HA 0.05 0.02 0.54 -0.75 4.29 4.15 3kv7A1 GLU 9 HB2 0.04 0.21 0.20 -0.04 2.09 2.50 3kv7A1 GLU 9 HB3 0.08 0.05 0.06 -0.04 1.99 2.14 3kv7A1 GLU 9 HG2 0.04 -0.02 0.06 -0.04 2.34 2.38 3kv7A1 GLU 9 HG3 0.02 0.01 -0.07 -0.04 2.34 2.27 3kv7A1 ARG 10 H 0.08 0.13 0.23 -0.55 8.46 8.34 3kv7A1 ARG 10 HA 0.15 0.26 0.87 -0.75 4.34 4.87 3kv7A1 ARG 10 HB2 0.04 -0.03 0.11 -0.04 1.90 1.98 3kv7A1 ARG 10 HB3 0.05 -0.03 -0.03 -0.04 1.80 1.75 3kv7A1 ARG 10 HG2 0.07 -0.03 -0.11 -0.04 1.67 1.55 3kv7A1 ARG 10 HG3 0.06 0.12 -0.20 -0.04 1.67 1.61 3kv7A1 ARG 10 HD2 0.03 0.04 -0.02 -0.04 3.22 3.23 3kv7A1 ARG 10 HD3 0.02 -0.02 0.00 -0.04 3.22 3.18 3kv7A1 PHE 11 H 0.23 0.51 0.34 -0.55 8.34 8.87 3kv7A1 PHE 11 HA 0.03 0.18 0.93 -0.75 4.62 5.00 3kv7A1 PHE 11 HB2 0.07 0.05 -0.01 -0.04 3.15 3.22 3kv7A1 PHE 11 HB3 0.03 -0.02 0.12 -0.04 3.06 3.14 3kv7A1 PHE 11 HD2 -0.03 -0.04 -0.13 -0.04 7.28 7.04 3kv7A1 PHE 11 HE2 -0.05 -0.05 -0.06 -0.04 7.38 7.17 3kv7A1 PHE 11 HZ -0.02 -0.05 -0.03 -0.04 7.32 7.18 3kv7A1 THR 12 H -0.88 0.24 0.19 -0.55 8.28 7.28 3kv7A1 THR 12 HA -0.14 0.38 1.20 -0.75 4.39 5.08 3kv7A1 THR 12 HB -0.25 -0.02 0.01 -0.04 4.32 4.02 3kv7A1 THR 12 HG23 -0.12 0.02 -0.13 -0.04 1.22 0.95 3kv7A1 HIS 13 H -0.06 0.59 0.33 -0.55 8.41 8.73 3kv7A1 HIS 13 HA -0.26 0.10 0.84 -0.75 4.63 4.57 3kv7A1 HIS 13 HB2 -0.01 0.05 -0.18 -0.04 3.26 3.08 3kv7A1 HIS 13 HB3 -0.12 -0.02 0.12 -0.04 3.20 3.14 3kv7A1 HIS 13 HD2 -0.26 -0.05 -0.16 -0.04 6.97 6.46 3kv7A1 HIS 13 HE1 -1.57 -0.01 -0.05 -0.04 7.75 6.08 3kv7A1 ASP 14 H -0.43 0.19 0.17 -0.55 8.40 7.78 3kv7A1 ASP 14 HA -0.14 0.23 0.89 -0.75 4.63 4.85 3kv7A1 ASP 14 HB2 -0.18 -0.00 0.06 -0.04 2.71 2.55 3kv7A1 ASP 14 HB3 -0.13 -0.01 -0.04 -0.04 2.70 2.47 3kv7A1 PHE 15 H -0.04 0.56 0.19 -0.55 8.34 8.49 3kv7A1 PHE 15 HA -0.19 0.08 0.67 -0.75 4.62 4.43 3kv7A1 PHE 15 HB2 -0.21 0.04 -0.21 -0.04 3.15 2.73 3kv7A1 PHE 15 HB3 -0.11 -0.00 0.09 -0.04 3.06 2.99 3kv7A1 PHE 15 HD2 -0.09 -0.03 -0.07 -0.04 7.28 7.04 3kv7A1 PHE 15 HE2 0.05 -0.05 -0.04 -0.04 7.38 7.29 3kv7A1 PHE 15 HZ -0.03 -0.05 -0.02 -0.04 7.32 7.17 3kv7A1 VAL 16 H -0.45 0.14 0.06 -0.55 8.24 7.44 3kv7A1 VAL 16 HA -0.31 0.17 0.65 -0.75 4.13 3.89 3kv7A1 VAL 16 HB -0.34 -0.03 0.08 -0.04 2.12 1.79 3kv7A1 VAL 16 HG13 -0.21 0.04 -0.24 -0.04 0.97 0.52 3kv7A1 VAL 16 HG23 -0.17 -0.01 -0.05 -0.04 0.95 0.67 3kv7A1 VAL 17 H -0.33 0.69 0.27 -0.55 8.24 8.32 3kv7A1 VAL 17 HA -0.40 0.10 0.48 -0.75 4.13 3.56 3kv7A1 VAL 17 HB -0.24 -0.06 0.17 -0.04 2.12 1.95 3kv7A1 VAL 17 HG13 -0.12 0.01 -0.21 -0.04 0.97 0.61 3kv7A1 VAL 17 HG23 -0.63 0.02 -0.00 -0.04 0.95 0.29 3kv7A1 PRO 18 HA -0.20 0.20 0.68 -0.51 4.44 4.62 3kv7A1 PRO 18 HB2 -0.42 -0.06 0.08 -0.04 2.28 1.84 3kv7A1 PRO 18 HB3 -0.21 0.10 0.09 -0.04 2.02 1.95 3kv7A1 PRO 18 HG2 -0.93 -0.10 -0.07 -0.04 2.03 0.88 3kv7A1 PRO 18 HG3 -0.31 0.10 0.03 -0.04 2.03 1.81 3kv7A1 PRO 18 HD2 -0.10 0.01 0.18 -0.04 3.68 3.74 3kv7A1 PRO 18 HD3 -0.61 0.43 0.28 -0.04 3.65 3.71 3kv7A1 PRO 19 HA -0.06 0.10 0.39 -0.51 4.44 4.37 3kv7A1 PRO 19 HB2 0.00 0.04 0.01 -0.04 2.28 2.29 3kv7A1 PRO 19 HB3 0.01 0.05 0.11 -0.04 2.02 2.16 3kv7A1 PRO 19 HG2 0.01 0.06 0.08 -0.04 2.03 2.13 3kv7A1 PRO 19 HG3 -0.02 0.08 0.08 -0.04 2.03 2.12 3kv7A1 PRO 19 HD2 -0.02 0.10 0.19 -0.04 3.68 3.92 3kv7A1 PRO 19 HD3 -0.08 0.17 0.19 -0.04 3.65 3.89 3kv7A1 HIS 20 H -0.51 0.09 -0.50 -0.55 8.41 6.93 3kv7A1 HIS 20 HA -1.50 0.14 0.34 -0.75 4.63 2.86 3kv7A1 HIS 20 HB2 -0.26 0.06 0.14 -0.04 3.26 3.15 3kv7A1 HIS 20 HB3 -0.31 0.01 -0.01 -0.04 3.20 2.85 3kv7A1 HIS 20 HD2 -0.09 -0.02 0.00 -0.04 6.97 6.81 3kv7A1 HIS 20 HE1 0.02 0.02 -0.04 -0.04 7.75 7.70 3kv7A1 LYS 21 H -0.28 0.41 -0.54 -0.55 8.42 7.46 3kv7A1 LYS 21 HA -0.82 0.25 0.85 -0.75 4.32 3.84 3kv7A1 LYS 21 HB2 0.01 0.08 0.05 -0.04 1.87 1.97 3kv7A1 LYS 21 HB3 -0.05 -0.10 0.16 -0.04 1.79 1.77 3kv7A1 LYS 21 HG2 -0.38 -0.07 -0.19 -0.04 1.46 0.79 3kv7A1 LYS 21 HG3 0.12 0.01 -0.02 -0.04 1.46 1.52 3kv7A1 LYS 21 HD2 -1.40 -0.06 0.00 -0.04 1.69 0.19 3kv7A1 LYS 21 HD3 -0.92 0.22 -0.06 -0.04 1.68 0.87 3kv7A1 LYS 21 HE2 0.01 -0.03 -0.09 -0.04 2.99 2.85 3kv7A1 LYS 21 HE3 -0.05 -0.01 -0.04 -0.04 2.99 2.84 3kv7A1 THR 22 H 0.13 0.20 -0.17 -0.55 8.28 7.89 3kv7A1 THR 22 HA 0.27 0.33 0.74 -0.75 4.39 4.97 3kv7A1 THR 22 HB 0.22 -0.05 0.18 -0.04 4.32 4.63 3kv7A1 THR 22 HG23 0.12 0.02 -0.25 -0.04 1.22 1.07 3kv7A1 VAL 23 H 0.19 0.42 0.26 -0.55 8.24 8.57 3kv7A1 VAL 23 HA -0.05 -0.06 0.44 -0.75 4.13 3.72 3kv7A1 VAL 23 HB 0.18 0.12 0.16 -0.04 2.12 2.54 3kv7A1 VAL 23 HG13 -0.64 0.00 -0.07 -0.04 0.97 0.23 3kv7A1 VAL 23 HG23 -0.06 0.04 0.09 -0.04 0.95 0.98 3kv7A1 ARG 24 H 0.18 0.17 -0.14 -0.55 8.46 8.11 3kv7A1 ARG 24 HA 0.14 0.10 0.31 -0.75 4.34 4.14 3kv7A1 ARG 24 HB2 0.04 0.03 0.06 -0.04 1.90 1.99 3kv7A1 ARG 24 HB3 0.13 0.13 0.08 -0.04 1.80 2.10 3kv7A1 ARG 24 HG2 0.16 -0.15 -0.04 -0.04 1.67 1.60 3kv7A1 ARG 24 HG3 -0.27 0.00 -0.24 -0.04 1.67 1.12 3kv7A1 ARG 24 HD2 0.08 -0.06 -0.02 -0.04 3.22 3.17 3kv7A1 ARG 24 HD3 0.00 0.05 0.01 -0.04 3.22 3.24 3kv7A1 HIS 25 H 0.32 0.22 -0.61 -0.55 8.41 7.79 3kv7A1 HIS 25 HA 0.15 0.10 0.40 -0.75 4.63 4.53 3kv7A1 HIS 25 HB2 0.29 0.04 -0.13 -0.04 3.26 3.42 3kv7A1 HIS 25 HB3 0.24 0.08 0.05 -0.04 3.20 3.52 3kv7A1 HIS 25 HD2 0.13 0.02 0.01 -0.04 6.97 7.09 3kv7A1 HIS 25 HE1 0.09 0.01 -0.07 -0.04 7.75 7.74 3kv7A1 LEU 26 H 0.20 0.35 -0.20 -0.55 8.37 8.17 3kv7A1 LEU 26 HA -0.19 0.08 0.51 -0.75 4.35 3.99 3kv7A1 LEU 26 HB2 -0.38 -0.06 0.06 -0.04 1.64 1.22 3kv7A1 LEU 26 HB3 -0.09 0.05 0.11 -0.04 1.64 1.67 3kv7A1 LEU 26 HG -0.37 0.06 -0.08 -0.04 1.64 1.21 3kv7A1 LEU 26 HD13 -1.16 -0.01 -0.07 -0.04 0.93 -0.35 3kv7A1 LEU 26 HD23 -0.18 -0.05 -0.02 -0.04 0.89 0.60 3kv7A1 TYR 27 H 0.20 0.28 -0.27 -0.55 8.29 7.95 3kv7A1 TYR 27 HA 0.06 0.21 0.83 -0.75 4.56 4.91 3kv7A1 TYR 27 HB2 0.41 -0.01 0.08 -0.04 3.06 3.51 3kv7A1 TYR 27 HB3 0.11 -0.11 0.06 -0.04 2.98 3.00 3kv7A1 TYR 27 HD2 0.06 -0.07 -0.10 -0.04 7.15 6.99 3kv7A1 TYR 27 HE2 -0.02 -0.03 -0.03 -0.04 6.85 6.73 3kv7A1 PRO 28 HA 0.06 0.23 0.60 -0.51 4.44 4.83 3kv7A1 PRO 28 HB2 0.03 -0.02 -0.04 -0.04 2.28 2.21 3kv7A1 PRO 28 HB3 0.01 0.02 0.10 -0.04 2.02 2.10 3kv7A1 PRO 28 HG2 0.03 -0.01 0.03 -0.04 2.03 2.05 3kv7A1 PRO 28 HG3 0.04 0.09 0.05 -0.04 2.03 2.16 3kv7A1 PRO 28 HD2 0.00 0.01 0.09 -0.04 3.68 3.74 3kv7A1 PRO 28 HD3 0.00 0.36 -0.49 -0.04 3.65 3.49 3kv7A1 GLU 29 H 0.12 0.11 -0.30 -0.55 8.60 7.99 3kv7A1 GLU 29 HA 0.05 0.10 0.43 -0.75 4.29 4.11 3kv7A1 GLU 29 HB2 0.19 -0.01 -0.07 -0.04 2.09 2.16 3kv7A1 GLU 29 HB3 0.07 -0.00 0.07 -0.04 1.99 2.08 3kv7A1 GLU 29 HG2 0.07 0.01 0.02 -0.04 2.34 2.40 3kv7A1 GLU 29 HG3 0.05 0.01 0.00 -0.04 2.34 2.37 3kv7A1 SER 30 H 0.12 0.50 -0.62 -0.55 8.46 7.92 3kv7A1 SER 30 HA -0.07 0.20 0.73 -0.75 4.49 4.59 3kv7A1 SER 30 HB2 -0.13 0.01 -0.01 -0.04 3.95 3.78 3kv7A1 SER 30 HB3 0.10 0.22 0.18 -0.04 3.93 4.39 3kv7A1 PRO 31 HA 0.02 0.13 0.44 -0.51 4.44 4.51 3kv7A1 PRO 31 HB2 -0.02 0.00 0.01 -0.04 2.28 2.23 3kv7A1 PRO 31 HB3 -0.00 0.04 0.09 -0.04 2.02 2.11 3kv7A1 PRO 31 HG2 -0.02 0.03 0.09 -0.04 2.03 2.09 3kv7A1 PRO 31 HG3 -0.00 0.08 0.06 -0.04 2.03 2.12 3kv7A1 PRO 31 HD2 -0.06 -0.00 0.26 -0.04 3.68 3.84 3kv7A1 PRO 31 HD3 -0.02 0.51 0.27 -0.04 3.65 4.37 3kv7A1 GLU 32 H -0.11 0.13 -0.16 -0.55 8.60 7.92 3kv7A1 GLU 32 HA -0.03 0.09 0.42 -0.75 4.29 4.01 3kv7A1 GLU 32 HB2 -0.34 -0.02 0.02 -0.04 2.09 1.71 3kv7A1 GLU 32 HB3 -0.21 0.03 0.01 -0.04 1.99 1.79 3kv7A1 GLU 32 HG2 -0.14 0.02 0.02 -0.04 2.34 2.20 3kv7A1 GLU 32 HG3 -0.08 0.02 0.03 -0.04 2.34 2.27 3kv7A1 PHE 33 H -0.04 0.30 -0.39 -0.55 8.34 7.66 3kv7A1 PHE 33 HA 0.04 0.13 0.82 -0.75 4.62 4.85 3kv7A1 PHE 33 HB2 0.04 0.22 0.03 -0.04 3.15 3.40 3kv7A1 PHE 33 HB3 0.04 -0.08 -0.05 -0.04 3.06 2.93 3kv7A1 PHE 33 HD2 -0.03 0.08 -0.02 -0.04 7.28 7.27 3kv7A1 PHE 33 HE2 -0.17 0.00 -0.04 -0.04 7.38 7.14 3kv7A1 PHE 33 HZ -0.15 -0.02 -0.02 -0.04 7.32 7.09 3kv7A1 ALA 34 H 0.12 0.43 -0.16 -0.55 8.40 8.24 3kv7A1 ALA 34 HA 0.12 0.06 0.22 -0.75 4.34 3.99 3kv7A1 ALA 34 HB3 0.06 0.00 0.07 -0.04 1.41 1.50 3kv7A1 GLU 35 H 0.14 0.12 -0.23 -0.55 8.60 8.09 3kv7A1 GLU 35 HA 0.07 0.21 0.86 -0.75 4.29 4.69 3kv7A1 GLU 35 HB2 0.07 -0.00 0.01 -0.04 2.09 2.13 3kv7A1 GLU 35 HB3 0.04 -0.01 0.14 -0.04 1.99 2.11 3kv7A1 GLU 35 HG2 0.06 -0.02 -0.06 -0.04 2.34 2.28 3kv7A1 GLU 35 HG3 0.04 -0.01 -0.01 -0.04 2.34 2.32 3kv7A1 PHE 36 H 0.28 0.40 -0.29 -0.55 8.34 8.18 3kv7A1 PHE 36 HA 0.05 0.05 0.34 -0.75 4.62 4.31 3kv7A1 PHE 36 HB2 0.11 -0.00 0.11 -0.04 3.15 3.32 3kv7A1 PHE 36 HB3 0.04 -0.05 0.05 -0.04 3.06 3.05 3kv7A1 PHE 36 HD2 0.04 0.10 0.01 -0.04 7.28 7.40 3kv7A1 PHE 36 HE2 0.01 -0.04 0.01 -0.04 7.38 7.32 3kv7A1 PHE 36 HZ -0.00 -0.03 0.01 -0.04 7.32 7.25 3kv7A1 PRO 37 HA -0.12 0.03 0.38 -0.51 4.44 4.22 3kv7A1 PRO 37 HB2 -0.44 -0.04 0.02 -0.04 2.28 1.78 3kv7A1 PRO 37 HB3 -0.19 0.02 0.04 -0.04 2.02 1.86 3kv7A1 PRO 37 HG2 -0.53 0.01 0.08 -0.04 2.03 1.55 3kv7A1 PRO 37 HG3 -0.29 0.07 0.09 -0.04 2.03 1.86 3kv7A1 PRO 37 HD2 -2.05 0.04 0.23 -0.04 3.68 1.86 3kv7A1 PRO 37 HD3 -0.47 0.25 0.20 -0.04 3.65 3.60 3kv7A1 GLU 38 H 0.00 0.13 0.11 -0.55 8.60 8.30 3kv7A1 GLU 38 HA 0.14 0.07 0.51 -0.75 4.29 4.26 3kv7A1 GLU 38 HB2 0.04 -0.02 0.24 -0.04 2.09 2.32 3kv7A1 GLU 38 HB3 0.08 0.01 0.17 -0.04 1.99 2.21 3kv7A1 GLU 38 HG2 0.07 0.06 0.04 -0.04 2.34 2.47 3kv7A1 GLU 38 HG3 0.06 -0.00 0.07 -0.04 2.34 2.42 3kv7A1 VAL 39 H 0.21 0.39 0.23 -0.55 8.24 8.52 3kv7A1 VAL 39 HA 0.13 0.30 0.85 -0.75 4.13 4.66 3kv7A1 VAL 39 HB 0.14 -0.12 0.02 -0.04 2.12 2.11 3kv7A1 VAL 39 HG13 0.06 -0.02 -0.38 -0.04 0.97 0.59 3kv7A1 VAL 39 HG23 0.24 0.04 -0.16 -0.04 0.95 1.03 3kv7A1 PHE 40 H 0.30 0.64 0.26 -0.55 8.34 8.99 3kv7A1 PHE 40 HA 0.14 0.29 0.47 -0.75 4.62 4.76 3kv7A1 PHE 40 HB2 0.10 0.12 0.12 -0.04 3.15 3.44 3kv7A1 PHE 40 HB3 0.16 -0.10 0.17 -0.04 3.06 3.25 3kv7A1 PHE 40 HD2 0.10 0.07 -0.01 -0.04 7.28 7.40 3kv7A1 PHE 40 HE2 0.05 -0.01 -0.10 -0.04 7.38 7.29 3kv7A1 PHE 40 HZ 0.06 0.04 -0.20 -0.04 7.32 7.18 3kv7A1 ALA 41 H 0.21 0.46 0.27 -0.55 8.40 8.79 3kv7A1 ALA 41 HA -0.01 0.10 0.44 -0.75 4.34 4.12 3kv7A1 ALA 41 HB3 -0.02 -0.02 -0.02 -0.04 1.41 1.31 3kv7A1 THR 42 H -0.02 0.20 0.17 -0.55 8.28 8.08 3kv7A1 THR 42 HA -0.12 0.10 0.37 -0.75 4.39 3.98 3kv7A1 THR 42 HB -0.02 -0.00 0.08 -0.04 4.32 4.33 3kv7A1 THR 42 HG23 -0.03 0.01 -0.10 -0.04 1.22 1.06 3kv7A1 GLY 43 H -0.18 0.11 -0.17 -0.55 8.43 7.65 3kv7A1 GLY 43 HA2 -0.14 0.07 0.36 -0.51 4.01 3.79 3kv7A1 GLY 43 HA3 -0.23 0.09 0.25 -0.51 4.01 3.62 3kv7A1 PHE 44 H -0.26 0.09 -0.35 -0.55 8.34 7.26 3kv7A1 PHE 44 HA -0.15 0.09 0.69 -0.75 4.62 4.49 3kv7A1 PHE 44 HB2 -0.50 0.07 0.10 -0.04 3.15 2.77 3kv7A1 PHE 44 HB3 -0.13 0.01 0.00 -0.04 3.06 2.90 3kv7A1 PHE 44 HD2 -0.04 -0.02 -0.06 -0.04 7.28 7.13 3kv7A1 PHE 44 HE2 0.05 0.07 -0.15 -0.04 7.38 7.31 3kv7A1 PHE 44 HZ 0.06 0.16 -0.20 -0.04 7.32 7.30 3kv7A1 MET 45 H -0.56 0.60 -0.10 -0.55 8.47 7.85 3kv7A1 MET 45 HA -0.04 0.02 0.43 -0.75 4.52 4.18 3kv7A1 MET 45 HB2 -0.47 0.04 -0.02 -0.04 2.15 1.65 3kv7A1 MET 45 HB3 -0.39 0.08 0.09 -0.04 2.03 1.76 3kv7A1 MET 45 HG2 -0.10 -0.03 -0.26 -0.04 2.63 2.20 3kv7A1 MET 45 HG3 0.11 -0.03 -0.07 -0.04 2.56 2.52 3kv7A1 MET 45 HE3 -0.35 0.04 -0.09 -0.04 2.10 1.66 3kv7A1 VAL 46 H -0.17 0.67 -0.15 -0.55 8.24 8.04 3kv7A1 VAL 46 HA -0.12 -0.00 0.31 -0.75 4.13 3.57 3kv7A1 VAL 46 HB -0.11 0.12 0.13 -0.04 2.12 2.22 3kv7A1 VAL 46 HG13 -0.10 -0.01 -0.13 -0.04 0.97 0.68 3kv7A1 VAL 46 HG23 -0.09 0.02 -0.06 -0.04 0.95 0.78 3kv7A1 GLY 47 H -0.06 0.39 -0.32 -0.55 8.43 7.89 3kv7A1 GLY 47 HA2 -0.06 -0.01 0.23 -0.51 4.01 3.67 3kv7A1 GLY 47 HA3 -0.00 0.08 0.30 -0.51 4.01 3.88 3kv7A1 LEU 48 H 0.06 0.59 -0.22 -0.55 8.37 8.25 3kv7A1 LEU 48 HA 0.24 0.02 0.46 -0.75 4.35 4.31 3kv7A1 LEU 48 HB2 0.17 0.04 0.06 -0.04 1.64 1.86 3kv7A1 LEU 48 HB3 0.18 0.08 0.08 -0.04 1.64 1.93 3kv7A1 LEU 48 HG 0.14 -0.04 -0.19 -0.04 1.64 1.51 3kv7A1 LEU 48 HD13 -0.04 -0.00 -0.06 -0.04 0.93 0.79 3kv7A1 LEU 48 HD23 0.21 0.01 -0.11 -0.04 0.89 0.97 3kv7A1 MET 49 H -0.03 0.61 -0.20 -0.55 8.47 8.30 3kv7A1 MET 49 HA -0.07 0.01 0.42 -0.75 4.52 4.13 3kv7A1 MET 49 HB2 -0.13 0.13 0.07 -0.04 2.15 2.17 3kv7A1 MET 49 HB3 -0.13 -0.07 -0.14 -0.04 2.03 1.65 3kv7A1 MET 49 HG2 -0.01 -0.04 -0.16 -0.04 2.63 2.37 3kv7A1 MET 49 HG3 -0.01 0.11 -0.09 -0.04 2.56 2.52 3kv7A1 MET 49 HE3 -0.01 -0.02 -0.36 -0.04 2.10 1.67 3kv7A1 GLU 50 H -0.18 0.70 -0.11 -0.55 8.60 8.47 3kv7A1 GLU 50 HA -0.35 -0.02 0.48 -0.75 4.29 3.65 3kv7A1 GLU 50 HB2 -0.12 0.10 0.07 -0.04 2.09 2.10 3kv7A1 GLU 50 HB3 -0.09 -0.07 -0.03 -0.04 1.99 1.76 3kv7A1 GLU 50 HG2 -1.29 -0.06 -0.03 -0.04 2.34 0.92 3kv7A1 GLU 50 HG3 -0.38 0.29 0.04 -0.04 2.34 2.24 3kv7A1 TRP 51 H 0.08 0.68 -0.16 -0.55 7.97 8.02 3kv7A1 TRP 51 HA -0.19 -0.01 0.42 -0.75 4.62 4.09 3kv7A1 TRP 51 HB2 -0.16 0.09 0.11 -0.04 3.23 3.23 3kv7A1 TRP 51 HB3 -0.28 0.13 0.13 -0.04 3.23 3.17 3kv7A1 TRP 51 HD1 -0.15 -0.07 0.05 -0.04 7.22 7.01 3kv7A1 TRP 51 HE1 0.01 -0.01 -0.03 -0.04 10.20 10.14 3kv7A1 TRP 51 HE3 -0.14 0.01 -0.05 -0.04 7.59 7.36 3kv7A1 TRP 51 HZ2 0.12 -0.01 -0.02 -0.04 7.44 7.49 3kv7A1 TRP 51 HZ3 -0.30 -0.01 -0.04 -0.04 7.13 6.73 3kv7A1 TRP 51 HH2 0.16 -0.01 -0.01 -0.04 7.19 7.28 3kv7A1 ALA 52 H -0.22 0.53 -0.29 -0.55 8.40 7.88 3kv7A1 ALA 52 HA -0.41 0.01 0.27 -0.75 4.34 3.46 3kv7A1 ALA 52 HB3 -0.10 0.03 0.00 -0.04 1.41 1.30 3kv7A1 CYS 53 H -0.35 0.43 -0.31 -0.55 8.50 7.72 3kv7A1 CYS 53 HA -1.02 0.02 0.21 -0.75 4.58 3.03 3kv7A1 CYS 53 HB2 -0.47 0.12 0.05 -0.04 2.97 2.62 3kv7A1 CYS 53 HB3 -1.93 -0.05 -0.14 -0.04 2.97 0.80 3kv7A1 VAL 54 H -0.21 0.62 -0.15 -0.55 8.24 7.95 3kv7A1 VAL 54 HA -0.09 -0.01 0.36 -0.75 4.13 3.63 3kv7A1 VAL 54 HB 0.04 0.15 0.13 -0.04 2.12 2.39 3kv7A1 VAL 54 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.76 3kv7A1 VAL 54 HG23 -0.03 0.01 -0.08 -0.04 0.95 0.81 3kv7A1 ARG 55 H -0.18 0.55 -0.24 -0.55 8.46 8.04 3kv7A1 ARG 55 HA -0.08 -0.00 0.38 -0.75 4.34 3.88 3kv7A1 ARG 55 HB2 -0.32 0.12 0.12 -0.04 1.90 1.79 3kv7A1 ARG 55 HB3 -0.18 -0.04 0.02 -0.04 1.80 1.56 3kv7A1 ARG 55 HG2 0.11 -0.05 0.02 -0.04 1.67 1.70 3kv7A1 ARG 55 HG3 0.11 0.09 0.03 -0.04 1.67 1.86 3kv7A1 ARG 55 HD2 -0.04 -0.05 -0.03 -0.04 3.22 3.05 3kv7A1 ARG 55 HD3 -0.25 0.01 -0.05 -0.04 3.22 2.88 3kv7A1 ALA 56 H -0.59 0.43 -0.25 -0.55 8.40 7.44 3kv7A1 ALA 56 HA -0.65 0.02 0.34 -0.75 4.34 3.29 3kv7A1 ALA 56 HB3 -0.30 0.00 0.05 -0.04 1.41 1.11 3kv7A1 MET 57 H -0.08 0.42 -0.33 -0.55 8.47 7.93 3kv7A1 MET 57 HA 0.13 0.18 0.68 -0.75 4.52 4.75 3kv7A1 MET 57 HB2 0.19 -0.08 0.04 -0.04 2.15 2.26 3kv7A1 MET 57 HB3 0.55 -0.04 -0.07 -0.04 2.03 2.43 3kv7A1 MET 57 HG2 0.03 0.26 0.04 -0.04 2.63 2.91 3kv7A1 MET 57 HG3 0.09 0.05 -0.24 -0.04 2.56 2.41 3kv7A1 MET 57 HE3 0.16 -0.01 -0.20 -0.04 2.10 2.01 3kv7A1 ALA 58 H -0.03 0.36 -0.38 -0.55 8.40 7.80 3kv7A1 ALA 58 HA 0.04 -0.03 0.22 -0.75 4.34 3.83 3kv7A1 ALA 58 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 3kv7A1 PRO 59 HA 0.04 0.07 0.41 -0.51 4.44 4.46 3kv7A1 PRO 59 HB2 0.08 0.05 -0.08 -0.04 2.28 2.29 3kv7A1 PRO 59 HB3 0.05 -0.03 0.08 -0.04 2.02 2.07 3kv7A1 PRO 59 HG2 0.05 0.07 0.03 -0.04 2.03 2.13 3kv7A1 PRO 59 HG3 0.04 -0.03 0.02 -0.04 2.03 2.02 3kv7A1 PRO 59 HD2 0.04 0.24 -0.22 -0.04 3.68 3.70 3kv7A1 PRO 59 HD3 0.01 0.11 0.03 -0.04 3.65 3.75 3kv7A1 TYR 60 H 0.21 0.50 -0.30 -0.55 8.29 8.15 3kv7A1 TYR 60 HA 0.01 0.04 0.64 -0.75 4.56 4.50 3kv7A1 TYR 60 HB2 0.03 -0.03 0.07 -0.04 3.06 3.08 3kv7A1 TYR 60 HB3 0.03 0.11 -0.01 -0.04 2.98 3.07 3kv7A1 TYR 60 HD2 0.00 0.01 -0.08 -0.04 7.15 7.05 3kv7A1 TYR 60 HE2 -0.02 0.03 -0.01 -0.04 6.85 6.81 3kv7A1 LEU 61 H 0.08 0.41 -0.18 -0.55 8.37 8.13 3kv7A1 LEU 61 HA -0.01 -0.04 0.40 -0.75 4.35 3.95 3kv7A1 LEU 61 HB2 0.02 0.10 0.05 -0.04 1.64 1.77 3kv7A1 LEU 61 HB3 0.00 0.01 -0.04 -0.04 1.64 1.57 3kv7A1 LEU 61 HG 0.09 0.09 -0.08 -0.04 1.64 1.70 3kv7A1 LEU 61 HD13 0.02 0.02 -0.06 -0.04 0.93 0.87 3kv7A1 LEU 61 HD23 0.07 -0.04 -0.19 -0.04 0.89 0.69 3kv7A1 GLU 62 H -0.05 0.05 0.15 -0.55 8.60 8.20 3kv7A1 GLU 62 HA -0.04 0.19 0.70 -0.75 4.29 4.38 3kv7A1 GLU 62 HB2 -0.04 -0.07 0.04 -0.04 2.09 1.97 3kv7A1 GLU 62 HB3 -0.03 0.03 0.10 -0.04 1.99 2.05 3kv7A1 GLU 62 HG2 -0.12 0.06 -0.03 -0.04 2.34 2.21 3kv7A1 GLU 62 HG3 -0.06 -0.06 0.01 -0.04 2.34 2.19 3kv7A1 PRO 63 HA -0.03 0.03 0.43 -0.51 4.44 4.36 3kv7A1 PRO 63 HB2 -0.02 -0.00 0.07 -0.04 2.28 2.29 3kv7A1 PRO 63 HB3 -0.02 0.02 0.11 -0.04 2.02 2.10 3kv7A1 PRO 63 HG2 -0.01 0.02 0.10 -0.04 2.03 2.10 3kv7A1 PRO 63 HG3 -0.01 0.07 0.10 -0.04 2.03 2.16 3kv7A1 PRO 63 HD2 -0.02 0.08 0.19 -0.04 3.68 3.89 3kv7A1 PRO 63 HD3 -0.02 0.21 0.23 -0.04 3.65 4.03 3kv7A1 GLY 64 H -0.05 0.18 0.26 -0.55 8.43 8.27 3kv7A1 GLY 64 HA2 -0.12 -0.04 0.39 -0.51 4.01 3.73 3kv7A1 GLY 64 HA3 -0.16 0.17 0.66 -0.51 4.01 4.17 3kv7A1 GLU 65 H -0.06 0.49 0.03 -0.55 8.60 8.51 3kv7A1 GLU 65 HA -0.08 0.08 1.05 -0.75 4.29 4.59 3kv7A1 GLU 65 HB2 -0.03 0.10 0.15 -0.04 2.09 2.27 3kv7A1 GLU 65 HB3 -0.01 0.08 0.13 -0.04 1.99 2.15 3kv7A1 GLU 65 HG2 0.00 -0.04 -0.12 -0.04 2.34 2.14 3kv7A1 GLU 65 HG3 -0.03 0.03 -0.21 -0.04 2.34 2.08 3kv7A1 GLY 66 H -0.04 0.54 0.32 -0.55 8.43 8.71 3kv7A1 GLY 66 HA2 -0.02 0.21 0.52 -0.51 4.01 4.21 3kv7A1 GLY 66 HA3 -0.04 -0.02 0.44 -0.51 4.01 3.87 3kv7A1 SER 67 H -0.05 0.27 0.20 -0.55 8.46 8.32 3kv7A1 SER 67 HA -0.05 0.19 0.87 -0.75 4.49 4.75 3kv7A1 SER 67 HB2 0.03 0.03 -0.11 -0.04 3.95 3.86 3kv7A1 SER 67 HB3 0.04 0.05 -0.32 -0.04 3.93 3.66 3kv7A1 LEU 68 H -0.06 0.65 0.32 -0.55 8.37 8.73 3kv7A1 LEU 68 HA -0.08 0.13 0.82 -0.75 4.35 4.47 3kv7A1 LEU 68 HB2 -0.09 -0.03 -0.01 -0.04 1.64 1.47 3kv7A1 LEU 68 HB3 -0.07 0.11 -0.03 -0.04 1.64 1.60 3kv7A1 LEU 68 HG -0.40 -0.07 -0.23 -0.04 1.64 0.90 3kv7A1 LEU 68 HD13 -0.32 0.00 -0.08 -0.04 0.93 0.49 3kv7A1 LEU 68 HD23 -0.46 0.03 -0.05 -0.04 0.89 0.36 3kv7A1 GLY 69 H 0.02 0.15 0.13 -0.55 8.43 8.18 3kv7A1 GLY 69 HA2 0.01 0.19 0.90 -0.51 4.01 4.60 3kv7A1 GLY 69 HA3 0.21 0.01 0.36 -0.51 4.01 4.07 3kv7A1 THR 70 H -0.04 0.61 0.30 -0.55 8.28 8.60 3kv7A1 THR 70 HA 0.02 0.22 0.83 -0.75 4.39 4.72 3kv7A1 THR 70 HB 0.01 -0.01 0.01 -0.04 4.32 4.29 3kv7A1 THR 70 HG23 -0.00 0.02 -0.22 -0.04 1.22 0.97 3kv7A1 ALA 71 H 0.04 0.30 0.26 -0.55 8.40 8.45 3kv7A1 ALA 71 HA 0.05 0.10 0.29 -0.75 4.34 4.03 3kv7A1 ALA 71 HB3 0.03 0.03 0.00 -0.04 1.41 1.43 3kv7A1 ILE 72 H 0.07 0.30 0.13 -0.55 8.25 8.20 3kv7A1 ILE 72 HA 0.15 0.26 0.88 -0.75 4.18 4.71 3kv7A1 ILE 72 HB 0.08 0.03 -0.09 -0.04 1.89 1.87 3kv7A1 ILE 72 HG12 -0.05 -0.05 -0.06 -0.04 1.49 1.29 3kv7A1 ILE 72 HG13 0.00 -0.03 -0.16 -0.04 1.21 0.98 3kv7A1 ILE 72 HG23 0.02 -0.01 -0.01 -0.04 0.93 0.89 3kv7A1 ILE 72 HD13 -0.08 0.04 -0.02 -0.04 0.88 0.78 3kv7A1 CYS 73 H 0.07 0.67 0.20 -0.55 8.50 8.89 3kv7A1 CYS 73 HA 0.03 0.16 0.85 -0.75 4.58 4.87 3kv7A1 CYS 73 HB2 0.04 0.02 -0.14 -0.04 2.97 2.85 3kv7A1 CYS 73 HB3 0.05 -0.09 0.21 -0.04 2.97 3.10 3kv7A1 VAL 74 H 0.02 0.28 0.13 -0.55 8.24 8.12 3kv7A1 VAL 74 HA 0.03 0.29 1.13 -0.75 4.13 4.82 3kv7A1 VAL 74 HB -0.01 0.12 -0.08 -0.04 2.12 2.11 3kv7A1 VAL 74 HG13 0.01 -0.05 -0.40 -0.04 0.97 0.49 3kv7A1 VAL 74 HG23 -0.03 -0.02 -0.22 -0.04 0.95 0.64 3kv7A1 THR 75 H 0.03 0.49 0.39 -0.55 8.28 8.64 3kv7A1 THR 75 HA 0.05 0.18 0.89 -0.75 4.39 4.75 3kv7A1 THR 75 HB 0.06 0.02 0.06 -0.04 4.32 4.41 3kv7A1 THR 75 HG23 0.04 0.02 0.01 -0.04 1.22 1.25 3kv7A1 HIS 76 H 0.12 0.25 0.08 -0.55 8.41 8.32 3kv7A1 HIS 76 HA 0.03 0.32 0.88 -0.75 4.63 5.11 3kv7A1 HIS 76 HB2 -0.00 -0.03 -0.08 -0.04 3.26 3.11 3kv7A1 HIS 76 HB3 0.01 -0.02 0.19 -0.04 3.20 3.33 3kv7A1 HIS 76 HD2 0.05 0.26 0.19 -0.04 6.97 7.44 3kv7A1 HIS 76 HE1 -0.03 0.09 -0.23 -0.04 7.75 7.54 3kv7A1 THR 77 H 0.20 0.70 0.13 -0.55 8.28 8.76 3kv7A1 THR 77 HA 0.05 0.11 0.31 -0.75 4.39 4.11 3kv7A1 THR 77 HB 0.04 0.01 0.02 -0.04 4.32 4.35 3kv7A1 THR 77 HG23 0.06 -0.03 -0.17 -0.04 1.22 1.04 3kv7A1 ALA 78 H 0.11 0.28 0.19 -0.55 8.40 8.44 3kv7A1 ALA 78 HA 0.00 0.11 0.68 -0.75 4.34 4.38 3kv7A1 ALA 78 HB3 0.01 0.02 -0.09 -0.04 1.41 1.32 3kv7A1 ALA 79 H 0.00 0.15 0.15 -0.55 8.40 8.16 3kv7A1 ALA 79 HA 0.02 0.17 0.64 -0.75 4.34 4.42 3kv7A1 ALA 79 HB3 0.01 0.01 0.00 -0.04 1.41 1.40 3kv7A1 THR 80 H 0.15 0.16 0.17 -0.55 8.28 8.20 3kv7A1 THR 80 HA 0.04 0.22 0.88 -0.75 4.39 4.77 3kv7A1 THR 80 HB 0.21 -0.08 0.15 -0.04 4.32 4.55 3kv7A1 THR 80 HG23 -0.06 0.05 -0.10 -0.04 1.22 1.07 3kv7A1 PRO 81 HA 0.05 0.25 0.81 -0.51 4.44 5.04 3kv7A1 PRO 81 HB2 -0.00 0.13 0.07 -0.04 2.28 2.43 3kv7A1 PRO 81 HB3 0.01 -0.02 0.12 -0.04 2.02 2.09 3kv7A1 PRO 81 HG2 -0.02 0.06 -0.03 -0.04 2.03 2.00 3kv7A1 PRO 81 HG3 -0.01 0.01 0.05 -0.04 2.03 2.04 3kv7A1 PRO 81 HD2 -0.00 0.05 0.24 -0.04 3.68 3.92 3kv7A1 PRO 81 HD3 0.01 0.13 0.08 -0.04 3.65 3.84 3kv7A1 PRO 82 HA -0.10 0.07 0.33 -0.51 4.44 4.24 3kv7A1 PRO 82 HB2 -0.04 -0.01 -0.05 -0.04 2.28 2.14 3kv7A1 PRO 82 HB3 -0.08 -0.04 -0.34 -0.04 2.02 1.53 3kv7A1 PRO 82 HG2 0.01 0.01 0.03 -0.04 2.03 2.04 3kv7A1 PRO 82 HG3 0.01 0.05 -0.13 -0.04 2.03 1.91 3kv7A1 PRO 82 HD2 0.01 0.08 0.22 -0.04 3.68 3.95 3kv7A1 PRO 82 HD3 0.05 0.28 0.19 -0.04 3.65 4.12 3kv7A1 GLY 83 H -0.15 0.61 0.26 -0.55 8.43 8.60 3kv7A1 GLY 83 HA2 -0.11 -0.04 0.32 -0.51 4.01 3.68 3kv7A1 GLY 83 HA3 -0.07 0.15 0.75 -0.51 4.01 4.34 3kv7A1 LEU 84 H -0.10 0.31 -0.14 -0.55 8.37 7.90 3kv7A1 LEU 84 HA -0.08 0.11 0.73 -0.75 4.35 4.35 3kv7A1 LEU 84 HB2 -0.08 -0.02 0.08 -0.04 1.64 1.58 3kv7A1 LEU 84 HB3 -0.06 0.26 0.15 -0.04 1.64 1.95 3kv7A1 LEU 84 HG -0.04 0.04 -0.02 -0.04 1.64 1.57 3kv7A1 LEU 84 HD13 -0.03 -0.01 0.07 -0.04 0.93 0.92 3kv7A1 LEU 84 HD23 -0.04 0.01 0.01 -0.04 0.89 0.84 3kv7A1 THR 85 H -0.07 0.18 0.13 -0.55 8.28 7.97 3kv7A1 THR 85 HA -0.16 0.15 0.70 -0.75 4.39 4.33 3kv7A1 THR 85 HB -0.06 -0.02 0.05 -0.04 4.32 4.26 3kv7A1 THR 85 HG23 -0.09 -0.02 -0.32 -0.04 1.22 0.75 3kv7A1 VAL 86 H -0.11 0.70 0.25 -0.55 8.24 8.53 3kv7A1 VAL 86 HA -0.00 0.23 0.87 -0.75 4.13 4.48 3kv7A1 VAL 86 HB -0.02 0.04 0.15 -0.04 2.12 2.25 3kv7A1 VAL 86 HG13 0.12 -0.03 -0.23 -0.04 0.97 0.79 3kv7A1 VAL 86 HG23 -0.23 -0.01 -0.11 -0.04 0.95 0.56 3kv7A1 THR 87 H 0.04 0.62 0.32 -0.55 8.28 8.72 3kv7A1 THR 87 HA -0.03 0.24 0.91 -0.75 4.39 4.76 3kv7A1 THR 87 HB 0.01 -0.07 0.13 -0.04 4.32 4.35 3kv7A1 THR 87 HG23 -0.05 -0.01 -0.25 -0.04 1.22 0.87 3kv7A1 VAL 88 H 0.03 0.71 0.32 -0.55 8.24 8.76 3kv7A1 VAL 88 HA 0.05 0.29 1.17 -0.75 4.13 4.88 3kv7A1 VAL 88 HB 0.07 -0.00 0.13 -0.04 2.12 2.28 3kv7A1 VAL 88 HG13 0.00 -0.01 -0.18 -0.04 0.97 0.75 3kv7A1 VAL 88 HG23 0.08 -0.01 -0.21 -0.04 0.95 0.77 3kv7A1 THR 89 H 0.04 0.62 0.35 -0.55 8.28 8.74 3kv7A1 THR 89 HA 0.02 0.26 0.93 -0.75 4.39 4.85 3kv7A1 THR 89 HB 0.04 -0.06 0.14 -0.04 4.32 4.40 3kv7A1 THR 89 HG23 0.04 0.00 -0.14 -0.04 1.22 1.08 3kv7A1 ALA 90 H 0.12 0.73 0.33 -0.55 8.40 9.04 3kv7A1 ALA 90 HA 0.12 0.16 0.79 -0.75 4.34 4.65 3kv7A1 ALA 90 HB3 -0.09 -0.01 -0.06 -0.04 1.41 1.21 3kv7A1 GLU 91 H 0.25 0.80 0.30 -0.55 8.60 9.41 3kv7A1 GLU 91 HA 0.18 0.30 0.77 -0.75 4.29 4.79 3kv7A1 GLU 91 HB2 0.10 -0.05 -0.05 -0.04 2.09 2.05 3kv7A1 GLU 91 HB3 0.11 -0.06 0.17 -0.04 1.99 2.17 3kv7A1 GLU 91 HG2 0.05 0.03 -0.30 -0.04 2.34 2.08 3kv7A1 GLU 91 HG3 0.06 0.17 -0.21 -0.04 2.34 2.32 3kv7A1 LEU 92 H 0.12 0.66 0.23 -0.55 8.37 8.83 3kv7A1 LEU 92 HA -0.62 0.05 0.55 -0.75 4.35 3.58 3kv7A1 LEU 92 HB2 -0.08 0.08 0.02 -0.04 1.64 1.62 3kv7A1 LEU 92 HB3 -0.11 -0.06 0.11 -0.04 1.64 1.55 3kv7A1 LEU 92 HG -0.38 -0.11 -0.30 -0.04 1.64 0.81 3kv7A1 LEU 92 HD13 -1.10 0.06 -0.01 -0.04 0.93 -0.16 3kv7A1 LEU 92 HD23 -0.20 -0.01 -0.45 -0.04 0.89 0.19 3kv7A1 ARG 93 H -0.38 0.65 0.52 -0.55 8.46 8.70 3kv7A1 ARG 93 HA -0.10 0.16 0.96 -0.75 4.34 4.61 3kv7A1 ARG 93 HB2 -0.12 0.01 -0.15 -0.04 1.90 1.60 3kv7A1 ARG 93 HB3 -0.08 -0.02 -0.04 -0.04 1.80 1.62 3kv7A1 ARG 93 HG2 -0.01 0.07 -0.20 -0.04 1.67 1.49 3kv7A1 ARG 93 HG3 0.02 -0.08 -0.19 -0.04 1.67 1.38 3kv7A1 ARG 93 HD2 0.00 -0.02 -0.06 -0.04 3.22 3.10 3kv7A1 ARG 93 HD3 -0.02 0.01 0.00 -0.04 3.22 3.17 3kv7A1 SER 94 H -0.38 0.39 0.27 -0.55 8.46 8.20 3kv7A1 SER 94 HA -0.17 0.09 0.64 -0.75 4.49 4.30 3kv7A1 SER 94 HB2 -0.12 0.03 0.02 -0.04 3.95 3.84 3kv7A1 SER 94 HB3 -0.12 0.09 -0.38 -0.04 3.93 3.49 3kv7A1 VAL 95 H -0.17 0.28 0.15 -0.55 8.24 7.95 3kv7A1 VAL 95 HA -0.32 0.23 0.65 -0.75 4.13 3.93 3kv7A1 VAL 95 HB -0.19 -0.04 0.17 -0.04 2.12 2.01 3kv7A1 VAL 95 HG13 -0.52 0.00 -0.07 -0.04 0.97 0.35 3kv7A1 VAL 95 HG23 -0.40 0.00 -0.10 -0.04 0.95 0.40 3kv7A1 GLU 96 H -0.12 0.74 0.07 -0.55 8.60 8.74 3kv7A1 GLU 96 HA -0.01 0.10 0.64 -0.75 4.29 4.26 3kv7A1 GLY 97 H 0.09 0.17 0.08 -0.55 8.43 8.22 3kv7A1 GLY 97 HA2 0.08 0.07 0.34 -0.51 4.01 3.99 3kv7A1 GLY 97 HA3 0.04 0.01 0.56 -0.51 4.01 4.11 3kv7A1 ARG 98 H 0.04 0.11 0.26 -0.55 8.46 8.33 3kv7A1 ARG 98 HA 0.12 0.16 0.79 -0.75 4.34 4.66 3kv7A1 ARG 99 H 0.00 0.53 -0.20 -0.55 8.46 8.24 3kv7A1 ARG 99 HA -0.03 0.29 0.87 -0.75 4.34 4.72 3kv7A1 LEU 100 H -0.09 0.63 0.39 -0.55 8.37 8.76 3kv7A1 LEU 100 HA -0.38 0.28 0.98 -0.75 4.35 4.47 3kv7A1 LEU 100 HB2 -0.12 -0.08 0.01 -0.04 1.64 1.41 3kv7A1 LEU 100 HB3 -1.01 0.03 0.02 -0.04 1.64 0.63 3kv7A1 LEU 100 HG -0.46 0.03 -0.17 -0.04 1.64 1.00 3kv7A1 LEU 100 HD13 -0.07 -0.00 -0.35 -0.04 0.93 0.47 3kv7A1 LEU 100 HD23 -0.48 0.01 -0.07 -0.04 0.89 0.31 3kv7A1 SER 101 H -0.59 0.58 0.39 -0.55 8.46 8.29 3kv7A1 SER 101 HA -0.02 0.28 1.10 -0.75 4.49 5.09 3kv7A1 SER 101 HB2 -0.12 -0.00 -0.13 -0.04 3.95 3.66 3kv7A1 SER 101 HB3 -0.18 -0.11 0.05 -0.04 3.93 3.66 3kv7A1 TRP 102 H 0.36 0.66 0.42 -0.55 7.97 8.86 3kv7A1 TRP 102 HA -0.00 0.13 1.11 -0.75 4.62 5.10 3kv7A1 TRP 102 HB2 0.07 -0.05 -0.06 -0.04 3.23 3.14 3kv7A1 TRP 102 HB3 0.04 0.08 -0.22 -0.04 3.23 3.09 3kv7A1 TRP 102 HD1 0.02 -0.02 -0.77 -0.04 7.22 6.41 3kv7A1 TRP 102 HE1 -0.04 0.07 -0.18 -0.04 10.20 10.00 3kv7A1 TRP 102 HE3 -0.06 0.11 -0.20 -0.04 7.59 7.40 3kv7A1 TRP 102 HZ2 -0.10 0.06 -0.17 -0.04 7.44 7.19 3kv7A1 TRP 102 HZ3 -0.14 -0.04 -0.25 -0.04 7.13 6.66 3kv7A1 TRP 102 HH2 -0.09 0.02 -0.18 -0.04 7.19 6.90 3kv7A1 ARG 103 H 0.18 0.60 0.32 -0.55 8.46 9.01 3kv7A1 ARG 103 HA 0.12 0.22 1.04 -0.75 4.34 4.96 3kv7A1 ARG 103 HB2 0.07 -0.02 0.14 -0.04 1.90 2.04 3kv7A1 ARG 103 HB3 0.10 -0.03 0.20 -0.04 1.80 2.03 3kv7A1 ARG 103 HG2 0.08 -0.07 -0.22 -0.04 1.67 1.42 3kv7A1 ARG 103 HG3 0.08 0.23 0.14 -0.04 1.67 2.07 3kv7A1 ARG 103 HD2 0.05 -0.01 0.02 -0.04 3.22 3.24 3kv7A1 ARG 103 HD3 0.05 -0.02 0.00 -0.04 3.22 3.21 3kv7A1 VAL 104 H 0.11 0.58 0.26 -0.55 8.24 8.64 3kv7A1 VAL 104 HA 0.09 0.36 1.15 -0.75 4.13 4.98 3kv7A1 VAL 104 HB 0.02 0.04 -0.05 -0.04 2.12 2.08 3kv7A1 VAL 104 HG13 0.04 -0.01 -0.23 -0.04 0.97 0.73 3kv7A1 VAL 104 HG23 0.05 -0.04 -0.27 -0.04 0.95 0.64 3kv7A1 SER 105 H 0.05 0.65 0.45 -0.55 8.46 9.06 3kv7A1 SER 105 HA 0.05 0.15 0.83 -0.75 4.49 4.76 3kv7A1 SER 105 HB2 0.06 -0.00 0.24 -0.04 3.95 4.20 3kv7A1 SER 105 HB3 0.05 0.03 0.01 -0.04 3.93 3.98 3kv7A1 ALA 106 H 0.06 0.63 0.44 -0.55 8.40 8.99 3kv7A1 ALA 106 HA 0.08 0.43 0.98 -0.75 4.34 5.08 3kv7A1 ALA 106 HB3 0.08 -0.01 -0.03 -0.04 1.41 1.41 3kv7A1 HIS 107 H 0.13 0.58 0.38 -0.55 8.41 8.96 3kv7A1 HIS 107 HA 0.03 0.13 0.94 -0.75 4.63 4.99 3kv7A1 HIS 107 HB2 0.02 0.03 -0.15 -0.04 3.26 3.11 3kv7A1 HIS 107 HB3 0.00 0.03 0.06 -0.04 3.20 3.25 3kv7A1 HIS 107 HD2 0.02 -0.02 -0.13 -0.04 6.97 6.80 3kv7A1 HIS 107 HE1 -0.00 0.19 -0.55 -0.04 7.75 7.35 3kv7A1 ASP 108 H -0.22 0.51 0.22 -0.55 8.40 8.36 3kv7A1 ASP 108 HA 0.01 0.38 1.01 -0.75 4.63 5.27 3kv7A1 ASP 108 HB2 -0.04 0.02 0.07 -0.04 2.71 2.72 3kv7A1 ASP 108 HB3 -0.01 -0.00 -0.07 -0.04 2.70 2.58 3kv7A1 GLY 109 H 0.47 0.08 -0.32 -0.55 8.43 8.12 3kv7A1 GLY 109 HA2 0.19 0.03 0.28 -0.51 4.01 4.00 3kv7A1 GLY 109 HA3 0.06 0.17 0.62 -0.51 4.01 4.35 3kv7A1 VAL 110 H -0.08 -0.09 -0.48 -0.55 8.24 7.03 3kv7A1 VAL 110 HA 0.02 0.21 0.79 -0.75 4.13 4.39 3kv7A1 VAL 110 HB -0.05 -0.07 0.09 -0.04 2.12 2.05 3kv7A1 VAL 110 HG13 -0.02 0.01 -0.08 -0.04 0.97 0.83 3kv7A1 VAL 110 HG23 -0.01 0.03 -0.10 -0.04 0.95 0.83 3kv7A1 ASP 111 H -0.20 0.04 0.09 -0.55 8.40 7.78 3kv7A1 ASP 111 HA -0.19 0.30 1.07 -0.75 4.63 5.06 3kv7A1 ASP 111 HB2 -0.09 -0.05 -0.11 -0.04 2.71 2.41 3kv7A1 ASP 111 HB3 -0.07 0.22 -0.07 -0.04 2.70 2.73 3kv7A1 GLU 112 H -0.11 0.18 0.14 -0.55 8.60 8.26 3kv7A1 GLU 112 HA 0.00 0.09 0.76 -0.75 4.29 4.38 3kv7A1 GLU 112 HB2 0.04 0.00 0.14 -0.04 2.09 2.23 3kv7A1 GLU 112 HB3 0.07 0.01 0.08 -0.04 1.99 2.11 3kv7A1 GLU 112 HG2 0.20 -0.03 0.07 -0.04 2.34 2.53 3kv7A1 GLU 112 HG3 0.11 0.03 0.04 -0.04 2.34 2.48 3kv7A1 ILE 113 H 0.05 0.69 0.36 -0.55 8.25 8.80 3kv7A1 ILE 113 HA 0.09 0.18 0.94 -0.75 4.18 4.63 3kv7A1 ILE 113 HB 0.26 0.08 0.08 -0.04 1.89 2.27 3kv7A1 ILE 113 HG12 0.09 -0.08 -0.41 -0.04 1.49 1.04 3kv7A1 ILE 113 HG13 0.09 0.05 -0.23 -0.04 1.21 1.08 3kv7A1 ILE 113 HG23 0.04 0.01 -0.26 -0.04 0.93 0.68 3kv7A1 ILE 113 HD13 0.22 0.00 -0.15 -0.04 0.88 0.91 3kv7A1 GLY 114 H 0.07 0.28 0.22 -0.55 8.43 8.46 3kv7A1 GLY 114 HA2 0.07 -0.07 0.23 -0.51 4.01 3.73 3kv7A1 GLY 114 HA3 0.03 0.32 0.64 -0.51 4.01 4.49 3kv7A1 SER 115 H 0.04 0.22 0.35 -0.55 8.46 8.52 3kv7A1 SER 115 HA 0.04 0.17 0.60 -0.75 4.49 4.55 3kv7A1 SER 115 HB2 0.05 0.17 0.35 -0.04 3.95 4.48 3kv7A1 SER 115 HB3 0.05 -0.04 0.05 -0.04 3.93 3.95 3kv7A1 GLY 116 H 0.05 0.75 0.45 -0.55 8.43 9.14 3kv7A1 GLY 116 HA2 0.05 -0.01 0.36 -0.51 4.01 3.90 3kv7A1 GLY 116 HA3 0.04 0.29 1.00 -0.51 4.01 4.84 3kv7A1 THR 117 H 0.06 0.58 0.40 -0.55 8.28 8.78 3kv7A1 THR 117 HA 0.13 0.28 1.20 -0.75 4.39 5.25 3kv7A1 THR 117 HB 0.09 0.02 0.09 -0.04 4.32 4.48 3kv7A1 THR 117 HG23 0.06 -0.00 -0.06 -0.04 1.22 1.17 3kv7A1 HIS 118 H 0.25 0.62 0.37 -0.55 8.41 9.10 3kv7A1 HIS 118 HA 0.07 0.25 0.92 -0.75 4.63 5.12 3kv7A1 HIS 118 HB2 0.04 -0.03 -0.16 -0.04 3.26 3.08 3kv7A1 HIS 118 HB3 0.13 -0.05 -0.02 -0.04 3.20 3.22 3kv7A1 HIS 118 HD2 -0.22 -0.02 -0.17 -0.04 6.97 6.51 3kv7A1 HIS 118 HE1 -0.00 -0.13 0.05 -0.04 7.75 7.62 3kv7A1 GLU 119 H -0.09 0.49 0.32 -0.55 8.60 8.77 3kv7A1 GLU 119 HA -0.02 0.30 1.10 -0.75 4.29 4.92 3kv7A1 GLU 119 HB2 -0.03 -0.09 0.07 -0.04 2.09 2.01 3kv7A1 GLU 119 HB3 -0.04 0.08 0.02 -0.04 1.99 2.00 3kv7A1 GLU 119 HG2 -0.02 0.02 -0.08 -0.04 2.34 2.22 3kv7A1 GLU 119 HG3 -0.02 0.07 0.00 -0.04 2.34 2.35 3kv7A1 ARG 120 H 0.02 0.74 0.42 -0.55 8.46 9.08 3kv7A1 ARG 120 HA -0.07 0.18 0.97 -0.75 4.34 4.66 3kv7A1 ARG 120 HB2 0.22 -0.01 -0.04 -0.04 1.90 2.03 3kv7A1 ARG 120 HB3 0.05 0.03 -0.03 -0.04 1.80 1.81 3kv7A1 ARG 120 HG2 -0.26 0.02 -0.19 -0.04 1.67 1.20 3kv7A1 ARG 120 HG3 -0.00 -0.04 -0.39 -0.04 1.67 1.19 3kv7A1 ARG 120 HD2 -0.05 -0.02 -0.23 -0.04 3.22 2.88 3kv7A1 ARG 120 HD3 0.02 0.05 -0.28 -0.04 3.22 2.97 3kv7A1 ALA 121 H -0.01 0.57 0.35 -0.55 8.40 8.76 3kv7A1 ALA 121 HA 0.01 0.41 1.03 -0.75 4.34 5.04 3kv7A1 ALA 121 HB3 -0.01 -0.01 0.01 -0.04 1.41 1.35 3kv7A1 VAL 122 H 0.05 0.60 0.34 -0.55 8.24 8.68 3kv7A1 VAL 122 HA 0.03 0.21 0.74 -0.75 4.13 4.36 3kv7A1 VAL 122 HB 0.08 -0.11 0.23 -0.04 2.12 2.29 3kv7A1 VAL 122 HG13 0.04 -0.00 -0.04 -0.04 0.97 0.93 3kv7A1 VAL 122 HG23 0.21 0.05 -0.01 -0.04 0.95 1.16 3kv7A1 ILE 123 H -0.02 0.61 0.28 -0.55 8.25 8.57 3kv7A1 ILE 123 HA 0.03 0.20 0.88 -0.75 4.18 4.54 3kv7A1 ILE 123 HB -0.04 -0.00 -0.15 -0.04 1.89 1.66 3kv7A1 ILE 123 HG12 -0.17 0.03 -0.36 -0.04 1.49 0.95 3kv7A1 ILE 123 HG13 -0.10 -0.18 -0.33 -0.04 1.21 0.56 3kv7A1 ILE 123 HG23 -0.14 0.04 -0.23 -0.04 0.93 0.55 3kv7A1 ILE 123 HD13 -0.54 0.01 -0.22 -0.04 0.88 0.09 3kv7A1 HIS 124 H 0.16 0.18 0.13 -0.55 8.41 8.34 3kv7A1 HIS 124 HA 0.02 0.24 0.74 -0.75 4.63 4.87 3kv7A1 HIS 124 HB2 0.02 0.10 0.08 -0.04 3.26 3.42 3kv7A1 HIS 124 HB3 0.05 -0.05 0.19 -0.04 3.20 3.35 3kv7A1 HIS 124 HD2 0.01 0.08 -0.00 -0.04 6.97 7.01 3kv7A1 HIS 124 HE1 0.02 0.03 0.02 -0.04 7.75 7.78 3kv7A1 LEU 125 H -0.21 0.77 0.36 -0.55 8.37 8.74 3kv7A1 LEU 125 HA 0.10 0.03 0.08 -0.75 4.35 3.81 3kv7A1 LEU 125 HB2 -0.07 0.08 0.13 -0.04 1.64 1.74 3kv7A1 LEU 125 HB3 0.02 0.00 -0.00 -0.04 1.64 1.62 3kv7A1 LEU 125 HG -0.05 -0.01 -0.27 -0.04 1.64 1.27 3kv7A1 LEU 125 HD13 -0.03 0.01 -0.16 -0.04 0.93 0.71 3kv7A1 LEU 125 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 3kv7A1 GLU 126 H -0.05 0.18 0.01 -0.55 8.60 8.19 3kv7A1 GLU 126 HA 0.10 0.09 0.41 -0.75 4.29 4.14 3kv7A1 GLU 126 HB2 0.32 0.01 0.09 -0.04 2.09 2.47 3kv7A1 GLU 126 HB3 0.11 0.05 0.06 -0.04 1.99 2.17 3kv7A1 GLU 126 HG2 0.04 0.06 0.04 -0.04 2.34 2.44 3kv7A1 GLU 126 HG3 0.02 -0.02 -0.00 -0.04 2.34 2.30 3kv7A1 LYS 127 H 0.64 0.12 -0.19 -0.55 8.42 8.43 3kv7A1 LYS 127 HA 0.05 0.09 0.39 -0.75 4.32 4.09 3kv7A1 LYS 127 HB2 -0.12 -0.04 0.09 -0.04 1.87 1.76 3kv7A1 LYS 127 HB3 0.13 0.06 0.02 -0.04 1.79 1.96 3kv7A1 LYS 127 HG2 -0.06 0.01 0.04 -0.04 1.46 1.41 3kv7A1 LYS 127 HG3 -0.08 0.01 0.01 -0.04 1.46 1.35 3kv7A1 LYS 127 HD2 0.03 -0.02 -0.20 -0.04 1.69 1.47 3kv7A1 LYS 127 HD3 -0.01 0.02 -0.02 -0.04 1.68 1.63 3kv7A1 LYS 127 HE2 0.08 -0.01 -0.09 -0.04 2.99 2.92 3kv7A1 LYS 127 HE3 0.04 0.02 -0.06 -0.04 2.99 2.95 3kv7A1 PHE 128 H 0.30 0.52 -0.11 -0.55 8.34 8.49 3kv7A1 PHE 128 HA 0.03 0.04 0.49 -0.75 4.62 4.43 3kv7A1 PHE 128 HB2 0.05 -0.04 0.03 -0.04 3.15 3.15 3kv7A1 PHE 128 HB3 0.04 0.08 0.06 -0.04 3.06 3.20 3kv7A1 PHE 128 HD2 0.02 0.01 -0.10 -0.04 7.28 7.17 3kv7A1 PHE 128 HE2 0.01 0.02 -0.07 -0.04 7.38 7.30 3kv7A1 PHE 128 HZ 0.01 0.02 -0.05 -0.04 7.32 7.26 3kv7A1 ASN 129 H 0.16 0.69 -0.04 -0.55 8.53 8.80 3kv7A1 ASN 129 HA -0.15 0.02 0.44 -0.75 4.76 4.32 3kv7A1 ASN 129 HB2 0.05 0.06 0.12 -0.04 2.88 3.07 3kv7A1 ASN 129 HB3 0.01 -0.02 0.02 -0.04 2.79 2.76 3kv7A1 ASN 129 HD21 0.08 -0.05 -0.06 -0.04 7.03 6.97 3kv7A1 ASN 129 HD22 0.06 -0.04 -0.10 -0.04 7.74 7.62 3kv7A1 ALA 130 H 0.00 0.50 -0.22 -0.55 8.40 8.13 3kv7A1 ALA 130 HA -0.04 0.03 0.61 -0.75 4.34 4.19 3kv7A1 ALA 130 HB3 -0.01 0.03 0.12 -0.04 1.41 1.51 3kv7A1 LYS 131 H -0.11 0.45 -0.16 -0.55 8.42 8.05 3kv7A1 LYS 131 HA -0.07 0.03 0.50 -0.75 4.32 4.02 3kv7A1 LYS 131 HB2 -0.21 0.11 0.09 -0.04 1.87 1.82 3kv7A1 LYS 131 HB3 -0.09 -0.04 -0.02 -0.04 1.79 1.60 3kv7A1 LYS 131 HG2 -0.03 -0.05 0.03 -0.04 1.46 1.37 3kv7A1 LYS 131 HG3 -0.02 0.20 0.09 -0.04 1.46 1.69 3kv7A1 LYS 131 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.65 3kv7A1 LYS 131 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 3kv7A1 LYS 131 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.90 3kv7A1 LYS 131 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.93 3kv7A1 VAL 132 H -0.33 0.46 -0.15 -0.55 8.24 7.67 3kv7A1 VAL 132 HA -0.21 0.03 0.49 -0.75 4.13 3.68 3kv7A1 VAL 132 HB -0.24 0.06 0.15 -0.04 2.12 2.05 3kv7A1 VAL 132 HG13 -0.09 -0.01 -0.11 -0.04 0.97 0.72 3kv7A1 VAL 132 HG23 -0.75 0.04 -0.01 -0.04 0.95 0.19 3kv7A1 ARG 133 H -0.10 0.64 -0.07 -0.55 8.46 8.37 3kv7A1 ARG 133 HA -0.05 -0.00 0.47 -0.75 4.34 4.00 3kv7A1 ARG 133 HB2 -0.04 0.10 0.19 -0.04 1.90 2.11 3kv7A1 ARG 133 HB3 -0.03 -0.04 0.05 -0.04 1.80 1.73 3kv7A1 ARG 133 HG2 -0.03 -0.05 0.05 -0.04 1.67 1.60 3kv7A1 ARG 133 HG3 -0.04 0.24 0.10 -0.04 1.67 1.92 3kv7A1 ARG 133 HD2 -0.02 -0.01 0.01 -0.04 3.22 3.16 3kv7A1 ARG 133 HD3 -0.01 -0.03 0.01 -0.04 3.22 3.15 3kv7A1 GLN 134 H -0.06 0.35 -0.34 -0.55 8.47 7.87 3kv7A1 GLN 134 HA -0.03 0.14 0.62 -0.75 4.36 4.34 3kv7A1 GLN 134 HB2 -0.03 -0.06 0.16 -0.04 2.15 2.19 3kv7A1 GLN 134 HB3 -0.03 -0.06 0.11 -0.04 2.02 2.00 3kv7A1 GLN 134 HG2 -0.05 0.16 0.23 -0.04 2.40 2.70 3kv7A1 GLN 134 HG3 -0.04 -0.01 0.01 -0.04 2.39 2.31 3kv7A1 GLN 134 HE21 -0.02 -0.07 -0.01 -0.04 6.97 6.83 3kv7A1 GLN 134 HE22 -0.03 0.00 0.04 -0.04 7.69 7.66 3kv7A1 LYS 135 H -0.05 0.41 -0.38 -0.55 8.42 7.84 3kv7A1 LYS 135 HA -0.02 0.13 0.77 -0.75 4.32 4.44 3kv7A1 LYS 135 HB2 -0.02 -0.07 0.16 -0.04 1.87 1.89 3kv7A1 LYS 135 HB3 -0.03 -0.04 -0.00 -0.04 1.79 1.68 3kv7A1 LYS 135 HG2 -0.07 0.17 0.11 -0.04 1.46 1.64 3kv7A1 LYS 135 HG3 -0.04 0.02 -0.03 -0.04 1.46 1.37 3kv7A1 LYS 135 HD2 -0.03 -0.03 -0.01 -0.04 1.69 1.58 3kv7A1 LYS 135 HD3 -0.05 -0.04 -0.01 -0.04 1.68 1.54 3kv7A1 LYS 135 HE2 -0.01 0.00 0.01 -0.04 2.99 2.94 3kv7A1 LYS 135 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.95 3kv7A1 THR 136 H -0.03 0.37 -0.23 -0.55 8.28 7.83 3kv7A1 THR 136 HA -0.02 0.07 0.64 -0.75 4.39 4.33 3kv7A1 THR 136 HB -0.02 0.07 0.18 -0.04 4.32 4.51 3kv7A1 THR 136 HG23 -0.01 0.02 -0.07 -0.04 1.22 1.11 3kv7A1 PRO 137 HA -0.01 0.14 0.25 -0.51 4.44 4.31 3kv7A1 PRO 137 HB2 -0.01 -0.01 0.06 -0.04 2.28 2.29 3kv7A1 PRO 137 HB3 -0.01 0.01 0.06 -0.04 2.02 2.04 3kv7A1 PRO 137 HG2 -0.00 -0.01 0.07 -0.04 2.03 2.04 3kv7A1 PRO 137 HG3 -0.01 0.05 0.05 -0.04 2.03 2.09 3kv7A1 PRO 137 HD2 -0.01 0.03 0.17 -0.04 3.68 3.83 3kv7A1 PRO 137 HD3 -0.01 0.31 0.27 -0.04 3.65 4.17