============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 8 0.900 5.035 -13.195 7.536 -99.200 -91.000 TRP 16 1.040 -6.271 -17.033 7.230 -99.200 -91.000 TRP6 16 1.020 -6.896 -19.053 8.276 -99.200 -91.000 PHE 21 1.000 -6.569 -4.920 5.099 -99.200 -91.000 TYR 32 0.840 -3.377 -0.463 -9.980 -99.200 -91.000 HIS 36 0.900 -3.131 -4.456 -9.661 -99.200 -91.000 TYR 63 0.840 -2.262 -2.214 7.016 -99.200 -91.000 TYR 65 0.840 1.539 -2.543 -3.091 -99.200 -91.000 PHE 84 1.000 -5.550 10.555 3.778 -99.200 -91.000 HIS 86 0.900 -6.675 4.647 12.548 -99.200 -91.000 TRP 97 1.040 0.661 -9.608 -1.206 -99.200 -91.000 TRP6 97 1.020 -0.527 -8.998 0.732 -99.200 -91.000 TYR 119 0.840 25.736 -30.974 -16.631 -99.200 -91.000 HIS 127 0.900 45.445 -41.354 -14.550 -99.200 -91.000 HIS 128 0.900 43.267 -46.829 -16.344 -99.200 -91.000 HIS 129 0.900 48.565 -45.491 -22.225 -99.200 -91.000 HIS 130 0.900 53.168 -46.073 -13.246 -99.200 -91.000 HIS 131 0.900 52.973 -54.282 -16.144 -99.200 -91.000 HIS 132 0.900 60.491 -50.423 -15.684 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kl3A15 MET 1 HA 0.03 -0.14 0.19 -0.75 4.52 3.84 2kl3A15 MET 1 HB2 0.09 -0.02 -0.00 -0.04 2.15 2.17 2kl3A15 MET 1 HB3 -0.02 0.01 -0.02 -0.04 2.03 1.95 2kl3A15 MET 1 HG2 0.07 -0.07 -0.08 -0.04 2.63 2.51 2kl3A15 MET 1 HG3 0.04 -0.02 -0.14 -0.04 2.56 2.40 2kl3A15 MET 1 HE3 -0.13 -0.01 -0.36 -0.04 2.10 1.56 2kl3A15 GLU 2 H 0.01 0.01 0.07 -0.55 8.60 8.14 2kl3A15 GLU 2 HA -0.02 0.10 0.32 -0.75 4.29 3.93 2kl3A15 GLU 2 HB2 0.01 0.11 0.17 -0.04 2.09 2.34 2kl3A15 GLU 2 HB3 -0.00 -0.09 0.12 -0.04 1.99 1.98 2kl3A15 GLU 2 HG2 -0.00 0.03 0.04 -0.04 2.34 2.37 2kl3A15 GLU 2 HG3 0.01 -0.01 0.09 -0.04 2.34 2.38 2kl3A15 PRO 3 HA -0.05 0.23 0.42 -0.51 4.44 4.52 2kl3A15 PRO 3 HB2 -0.02 -0.06 0.02 -0.04 2.28 2.19 2kl3A15 PRO 3 HB3 -0.03 0.09 0.18 -0.04 2.02 2.21 2kl3A15 PRO 3 HG2 -0.01 -0.06 0.10 -0.04 2.03 2.02 2kl3A15 PRO 3 HG3 -0.02 0.05 0.11 -0.04 2.03 2.13 2kl3A15 PRO 3 HD2 -0.02 0.02 0.25 -0.04 3.68 3.90 2kl3A15 PRO 3 HD3 -0.03 0.21 0.22 -0.04 3.65 4.01 2kl3A15 GLN 4 H -0.01 0.07 -0.33 -0.55 8.47 7.65 2kl3A15 GLN 4 HA 0.01 0.08 0.79 -0.75 4.36 4.49 2kl3A15 GLN 4 HB2 0.02 -0.07 0.01 -0.04 2.15 2.06 2kl3A15 GLN 4 HB3 0.02 0.10 0.20 -0.04 2.02 2.29 2kl3A15 GLN 4 HG2 0.01 -0.03 -0.05 -0.04 2.40 2.28 2kl3A15 GLN 4 HG3 -0.00 -0.01 -0.31 -0.04 2.39 2.03 2kl3A15 GLN 4 HE21 0.01 -0.03 -0.06 -0.04 6.97 6.84 2kl3A15 GLN 4 HE22 0.00 0.01 -0.05 -0.04 7.69 7.61 2kl3A15 SER 5 H 0.07 0.53 0.24 -0.55 8.46 8.75 2kl3A15 SER 5 HA 0.04 0.08 0.52 -0.75 4.49 4.38 2kl3A15 SER 5 HB2 0.23 0.19 -0.16 -0.04 3.95 4.17 2kl3A15 SER 5 HB3 0.27 -0.02 -0.17 -0.04 3.93 3.98 2kl3A15 ASP 6 H -0.02 0.17 0.14 -0.55 8.40 8.14 2kl3A15 ASP 6 HA -0.06 0.14 0.72 -0.75 4.63 4.67 2kl3A15 ASP 6 HB2 -0.12 0.11 0.11 -0.04 2.71 2.77 2kl3A15 ASP 6 HB3 -0.19 -0.03 0.12 -0.04 2.70 2.56 2kl3A15 ALA 7 H -0.12 0.20 0.18 -0.55 8.40 8.12 2kl3A15 ALA 7 HA 0.17 0.12 0.31 -0.75 4.34 4.18 2kl3A15 ALA 7 HB3 0.06 0.05 -0.00 -0.04 1.41 1.47 2kl3A15 HIS 8 H -0.50 0.09 -0.06 -0.55 8.41 7.40 2kl3A15 HIS 8 HA -0.25 0.17 0.47 -0.75 4.63 4.26 2kl3A15 HIS 8 HB2 -0.14 0.08 0.02 -0.04 3.26 3.18 2kl3A15 HIS 8 HB3 -0.16 0.12 0.06 -0.04 3.20 3.17 2kl3A15 HIS 8 HD2 -0.08 0.04 -0.14 -0.04 6.97 6.75 2kl3A15 HIS 8 HE1 -0.04 0.03 0.01 -0.04 7.75 7.71 2kl3A15 VAL 9 H -0.20 -0.02 -0.36 -0.55 8.24 7.10 2kl3A15 VAL 9 HA -0.01 0.12 0.50 -0.75 4.13 3.99 2kl3A15 VAL 9 HB -0.06 0.04 0.10 -0.04 2.12 2.16 2kl3A15 VAL 9 HG13 -0.02 0.03 -0.08 -0.04 0.97 0.86 2kl3A15 VAL 9 HG23 -0.04 -0.01 0.04 -0.04 0.95 0.90 2kl3A15 LEU 10 H -0.06 0.44 -0.21 -0.55 8.37 8.00 2kl3A15 LEU 10 HA -0.31 0.10 0.42 -0.75 4.35 3.80 2kl3A15 LEU 10 HB2 -0.22 -0.02 -0.03 -0.04 1.64 1.32 2kl3A15 LEU 10 HB3 0.21 0.09 0.08 -0.04 1.64 1.98 2kl3A15 LEU 10 HG 0.13 0.03 -0.31 -0.04 1.64 1.45 2kl3A15 LEU 10 HD13 -1.46 0.01 -0.12 -0.04 0.93 -0.69 2kl3A15 LEU 10 HD23 -0.16 -0.01 -0.16 -0.04 0.89 0.52 2kl3A15 LYS 11 H -0.06 0.59 -0.01 -0.55 8.42 8.38 2kl3A15 LYS 11 HA -0.04 0.06 0.38 -0.75 4.32 3.97 2kl3A15 LYS 11 HB2 -1.21 0.02 0.09 -0.04 1.87 0.73 2kl3A15 LYS 11 HB3 -0.31 -0.02 0.15 -0.04 1.79 1.57 2kl3A15 LYS 11 HG2 -0.19 -0.01 -0.15 -0.04 1.46 1.06 2kl3A15 LYS 11 HG3 -0.70 -0.01 0.06 -0.04 1.46 0.77 2kl3A15 LYS 11 HD2 -0.62 -0.03 -0.18 -0.04 1.69 0.82 2kl3A15 LYS 11 HD3 -0.27 -0.05 -0.09 -0.04 1.68 1.23 2kl3A15 LYS 11 HE2 -0.10 -0.08 -0.08 -0.04 2.99 2.70 2kl3A15 LYS 11 HE3 -0.24 0.04 -0.09 -0.04 2.99 2.67 2kl3A15 SER 12 H -0.04 0.41 -0.45 -0.55 8.46 7.84 2kl3A15 SER 12 HA 0.15 0.07 0.45 -0.75 4.49 4.41 2kl3A15 SER 12 HB2 -0.04 0.05 0.14 -0.04 3.95 4.06 2kl3A15 SER 12 HB3 -0.14 -0.04 0.02 -0.04 3.93 3.73 2kl3A15 ARG 13 H 0.01 0.50 -0.14 -0.55 8.46 8.28 2kl3A15 ARG 13 HA 0.12 -0.09 0.52 -0.75 4.34 4.13 2kl3A15 ARG 13 HB2 -0.04 -0.04 0.12 -0.04 1.90 1.90 2kl3A15 ARG 13 HB3 -0.19 0.07 0.17 -0.04 1.80 1.81 2kl3A15 ARG 13 HG2 0.03 0.11 -0.38 -0.04 1.67 1.39 2kl3A15 ARG 13 HG3 0.10 -0.20 0.06 -0.04 1.67 1.59 2kl3A15 ARG 13 HD2 -0.08 -0.07 -0.02 -0.04 3.22 3.00 2kl3A15 ARG 13 HD3 -0.67 -0.04 -0.09 -0.04 3.22 2.37 2kl3A15 LEU 14 H 0.19 0.32 -0.59 -0.55 8.37 7.75 2kl3A15 LEU 14 HA 0.47 0.07 0.37 -0.75 4.35 4.51 2kl3A15 LEU 14 HB2 0.60 -0.04 -0.02 -0.04 1.64 2.14 2kl3A15 LEU 14 HB3 0.33 0.09 0.17 -0.04 1.64 2.19 2kl3A15 LEU 14 HG 0.21 0.03 -0.28 -0.04 1.64 1.55 2kl3A15 LEU 14 HD13 0.11 -0.01 -0.01 -0.04 0.93 0.98 2kl3A15 LEU 14 HD23 0.41 -0.02 -0.02 -0.04 0.89 1.23 2kl3A15 GLU 15 H 0.23 0.52 0.07 -0.55 8.60 8.87 2kl3A15 GLU 15 HA 0.04 0.10 0.50 -0.75 4.29 4.17 2kl3A15 GLU 15 HB2 0.32 0.01 0.11 -0.04 2.09 2.48 2kl3A15 GLU 15 HB3 -0.02 -0.04 0.10 -0.04 1.99 1.98 2kl3A15 GLU 15 HG2 0.07 -0.01 0.02 -0.04 2.34 2.38 2kl3A15 GLU 15 HG3 0.13 0.05 0.09 -0.04 2.34 2.58 2kl3A15 TRP 16 H 0.34 0.26 -0.22 -0.55 7.97 7.80 2kl3A15 TRP 16 HA 0.02 0.14 0.92 -0.75 4.62 4.94 2kl3A15 TRP 16 HB2 0.01 0.13 0.13 -0.04 3.23 3.45 2kl3A15 TRP 16 HB3 0.01 -0.09 -0.01 -0.04 3.23 3.10 2kl3A15 TRP 16 HD1 -0.01 -0.03 -0.09 -0.04 7.22 7.04 2kl3A15 TRP 16 HE1 -0.03 -0.01 -0.05 -0.04 10.20 10.07 2kl3A15 TRP 16 HE3 0.00 0.00 0.00 -0.04 7.59 7.56 2kl3A15 TRP 16 HZ2 -0.02 -0.02 -0.01 -0.04 7.44 7.35 2kl3A15 TRP 16 HZ3 -0.01 -0.03 0.00 -0.04 7.13 7.05 2kl3A15 TRP 16 HH2 -0.01 -0.03 -0.00 -0.04 7.19 7.10 2kl3A15 GLY 17 H 0.26 0.31 0.16 -0.55 8.43 8.61 2kl3A15 GLY 17 HA2 0.15 0.02 0.33 -0.51 4.01 4.01 2kl3A15 GLY 17 HA3 0.15 -0.15 0.44 -0.51 4.01 3.93 2kl3A15 GLU 18 H 0.14 0.00 0.16 -0.55 8.60 8.36 2kl3A15 GLU 18 HA 0.11 0.22 0.72 -0.75 4.29 4.59 2kl3A15 GLU 18 HB2 0.10 -0.00 0.09 -0.04 2.09 2.24 2kl3A15 GLU 18 HB3 0.14 -0.03 0.21 -0.04 1.99 2.27 2kl3A15 GLU 18 HG2 0.13 -0.17 -0.08 -0.04 2.34 2.18 2kl3A15 GLU 18 HG3 0.08 0.07 0.03 -0.04 2.34 2.48 2kl3A15 PRO 19 HA -0.03 0.11 0.31 -0.51 4.44 4.32 2kl3A15 PRO 19 HB2 -0.10 -0.05 0.15 -0.04 2.28 2.24 2kl3A15 PRO 19 HB3 -0.12 0.07 0.16 -0.04 2.02 2.09 2kl3A15 PRO 19 HG2 0.00 -0.05 0.08 -0.04 2.03 2.02 2kl3A15 PRO 19 HG3 0.05 0.27 0.05 -0.04 2.03 2.36 2kl3A15 PRO 19 HD2 0.04 -0.01 0.14 -0.04 3.68 3.82 2kl3A15 PRO 19 HD3 0.08 0.45 0.44 -0.04 3.65 4.58 2kl3A15 ALA 20 H 0.18 0.18 -0.89 -0.55 8.40 7.31 2kl3A15 ALA 20 HA 0.01 0.10 0.44 -0.75 4.34 4.13 2kl3A15 ALA 20 HB3 0.09 -0.01 0.10 -0.04 1.41 1.55 2kl3A15 PHE 21 H -0.29 0.58 -0.54 -0.55 8.34 7.54 2kl3A15 PHE 21 HA 0.11 0.16 0.90 -0.75 4.62 5.04 2kl3A15 PHE 21 HB2 0.38 0.07 -0.00 -0.04 3.15 3.56 2kl3A15 PHE 21 HB3 0.24 -0.03 -0.24 -0.04 3.06 2.98 2kl3A15 PHE 21 HD2 0.08 0.03 -0.28 -0.04 7.28 7.07 2kl3A15 PHE 21 HE2 -0.01 0.07 -0.32 -0.04 7.38 7.08 2kl3A15 PHE 21 HZ 0.04 -0.03 -0.17 -0.04 7.32 7.12 2kl3A15 THR 22 H 0.29 0.64 0.29 -0.55 8.28 8.96 2kl3A15 THR 22 HA 0.02 0.22 0.94 -0.75 4.39 4.83 2kl3A15 THR 22 HB 0.07 -0.04 -0.02 -0.04 4.32 4.29 2kl3A15 THR 22 HG23 0.02 0.01 -0.13 -0.04 1.22 1.08 2kl3A15 ILE 23 H 0.08 0.28 0.16 -0.55 8.25 8.22 2kl3A15 ILE 23 HA 0.19 0.37 0.94 -0.75 4.18 4.92 2kl3A15 ILE 23 HB 0.04 0.01 0.01 -0.04 1.89 1.90 2kl3A15 ILE 23 HG12 -0.11 -0.03 -0.17 -0.04 1.49 1.14 2kl3A15 ILE 23 HG13 0.21 0.00 -0.22 -0.04 1.21 1.16 2kl3A15 ILE 23 HG23 -0.03 -0.03 -0.19 -0.04 0.93 0.64 2kl3A15 ILE 23 HD13 0.14 0.02 -0.13 -0.04 0.88 0.87 2kl3A15 LEU 24 H 0.15 0.74 0.39 -0.55 8.37 9.11 2kl3A15 LEU 24 HA 0.03 0.11 0.99 -0.75 4.35 4.73 2kl3A15 LEU 24 HB2 -0.01 -0.07 0.06 -0.04 1.64 1.58 2kl3A15 LEU 24 HB3 -0.06 0.04 -0.07 -0.04 1.64 1.50 2kl3A15 LEU 24 HG -0.01 0.09 -0.26 -0.04 1.64 1.42 2kl3A15 LEU 24 HD13 -0.14 0.01 -0.15 -0.04 0.93 0.60 2kl3A15 LEU 24 HD23 -0.03 0.04 -0.30 -0.04 0.89 0.56 2kl3A15 ASP 25 H -0.01 0.53 0.27 -0.55 8.40 8.64 2kl3A15 ASP 25 HA -0.68 0.17 0.88 -0.75 4.63 4.25 2kl3A15 ASP 25 HB2 0.22 0.05 0.08 -0.04 2.71 3.02 2kl3A15 ASP 25 HB3 0.04 -0.02 0.21 -0.04 2.70 2.89 2kl3A15 VAL 26 H -0.33 0.53 0.23 -0.55 8.24 8.12 2kl3A15 VAL 26 HA -0.11 0.32 0.59 -0.75 4.13 4.18 2kl3A15 VAL 26 HB -0.08 -0.06 0.16 -0.04 2.12 2.10 2kl3A15 VAL 26 HG13 -0.08 0.06 -0.14 -0.04 0.97 0.76 2kl3A15 VAL 26 HG23 -0.11 0.05 -0.25 -0.04 0.95 0.60 2kl3A15 ARG 27 H -0.19 0.16 -0.26 -0.55 8.46 7.61 2kl3A15 ARG 27 HA -0.06 0.02 0.55 -0.75 4.34 4.10 2kl3A15 ARG 27 HB2 -0.07 0.00 0.07 -0.04 1.90 1.87 2kl3A15 ARG 27 HB3 -0.03 0.04 0.02 -0.04 1.80 1.79 2kl3A15 ARG 27 HG2 -0.05 -0.15 0.02 -0.04 1.67 1.45 2kl3A15 ARG 27 HG3 -0.18 0.01 0.01 -0.04 1.67 1.47 2kl3A15 ARG 27 HD2 -0.00 0.04 -0.04 -0.04 3.22 3.17 2kl3A15 ARG 27 HD3 -0.00 0.02 -0.20 -0.04 3.22 2.99 2kl3A15 ASP 28 H -0.03 0.26 -0.00 -0.55 8.40 8.08 2kl3A15 ASP 28 HA -0.03 0.07 0.30 -0.75 4.63 4.22 2kl3A15 ASP 28 HB2 -0.01 0.36 0.06 -0.04 2.71 3.07 2kl3A15 ASP 28 HB3 0.00 -0.22 -0.04 -0.04 2.70 2.40 2kl3A15 ARG 29 H -0.03 0.22 0.14 -0.55 8.46 8.24 2kl3A15 ARG 29 HA -0.05 0.14 0.41 -0.75 4.34 4.09 2kl3A15 ARG 29 HB2 -0.06 0.07 0.13 -0.04 1.90 2.00 2kl3A15 ARG 29 HB3 -0.02 -0.02 0.13 -0.04 1.80 1.85 2kl3A15 ARG 29 HG2 -0.03 0.06 0.00 -0.04 1.67 1.67 2kl3A15 ARG 29 HG3 0.01 -0.01 -0.15 -0.04 1.67 1.48 2kl3A15 ARG 29 HD2 -0.17 -0.07 0.10 -0.04 3.22 3.04 2kl3A15 ARG 29 HD3 -0.13 0.08 0.04 -0.04 3.22 3.18 2kl3A15 SER 30 H 0.02 0.05 -0.16 -0.55 8.46 7.83 2kl3A15 SER 30 HA 0.05 0.18 0.48 -0.75 4.49 4.44 2kl3A15 SER 30 HB2 0.02 0.10 -0.01 -0.04 3.95 4.03 2kl3A15 SER 30 HB3 0.02 0.06 0.08 -0.04 3.93 4.05 2kl3A15 THR 31 H 0.03 0.03 -0.16 -0.55 8.28 7.63 2kl3A15 THR 31 HA 0.04 0.10 0.39 -0.75 4.39 4.17 2kl3A15 THR 31 HB 0.02 -0.08 -0.02 -0.04 4.32 4.20 2kl3A15 THR 31 HG23 0.03 0.03 -0.02 -0.04 1.22 1.22 2kl3A15 TYR 32 H 0.14 0.42 -0.43 -0.55 8.29 7.87 2kl3A15 TYR 32 HA 0.05 0.03 0.36 -0.75 4.56 4.24 2kl3A15 TYR 32 HB2 -0.07 -0.03 0.04 -0.04 3.06 2.96 2kl3A15 TYR 32 HB3 -0.05 0.21 0.15 -0.04 2.98 3.24 2kl3A15 TYR 32 HD2 -0.10 0.00 -0.11 -0.04 7.15 6.90 2kl3A15 TYR 32 HE2 -0.22 0.03 -0.30 -0.04 6.85 6.31 2kl3A15 ASN 33 H 0.18 0.38 -0.13 -0.55 8.53 8.41 2kl3A15 ASN 33 HA -0.01 0.03 0.44 -0.75 4.76 4.47 2kl3A15 ASN 33 HB2 0.07 0.12 0.19 -0.04 2.88 3.22 2kl3A15 ASN 33 HB3 0.05 -0.05 0.08 -0.04 2.79 2.83 2kl3A15 ASN 33 HD21 0.07 -0.06 0.06 -0.04 7.03 7.05 2kl3A15 ASN 33 HD22 0.08 -0.03 0.01 -0.04 7.74 7.77 2kl3A15 ASP 34 H 0.05 0.48 -0.22 -0.55 8.40 8.17 2kl3A15 ASP 34 HA 0.02 -0.10 0.45 -0.75 4.63 4.25 2kl3A15 ASP 34 HB2 0.03 -0.02 0.06 -0.04 2.71 2.74 2kl3A15 ASP 34 HB3 0.04 0.12 0.19 -0.04 2.70 3.00 2kl3A15 GLY 35 H 0.04 0.56 -0.20 -0.55 8.43 8.29 2kl3A15 GLY 35 HA2 -0.06 0.13 0.62 -0.51 4.01 4.18 2kl3A15 GLY 35 HA3 0.00 -0.03 0.41 -0.51 4.01 3.88 2kl3A15 HIS 36 H -0.34 0.53 0.19 -0.55 8.41 8.24 2kl3A15 HIS 36 HA 0.10 0.06 0.92 -0.75 4.63 4.96 2kl3A15 HIS 36 HB2 0.02 -0.07 0.02 -0.04 3.26 3.19 2kl3A15 HIS 36 HB3 -0.26 0.02 -0.01 -0.04 3.20 2.90 2kl3A15 HIS 36 HD2 -0.09 0.15 -0.14 -0.04 6.97 6.84 2kl3A15 HIS 36 HE1 -0.28 -0.05 -0.09 -0.04 7.75 7.29 2kl3A15 ILE 37 H 0.03 0.05 0.10 -0.55 8.25 7.87 2kl3A15 ILE 37 HA -0.30 0.11 0.46 -0.75 4.18 3.70 2kl3A15 ILE 37 HB -0.62 -0.08 -0.03 -0.04 1.89 1.12 2kl3A15 ILE 37 HG12 -1.48 0.08 -0.04 -0.04 1.49 0.02 2kl3A15 ILE 37 HG13 -1.13 -0.11 0.02 -0.04 1.21 -0.05 2kl3A15 ILE 37 HG23 -0.88 0.07 -0.22 -0.04 0.93 -0.13 2kl3A15 ILE 37 HD13 -1.74 -0.00 -0.10 -0.04 0.88 -1.00 2kl3A15 MET 38 H -0.02 0.58 0.24 -0.55 8.47 8.72 2kl3A15 MET 38 HA -0.02 -0.04 0.31 -0.75 4.52 4.02 2kl3A15 MET 38 HB2 0.04 -0.04 -0.33 -0.04 2.15 1.78 2kl3A15 MET 38 HB3 0.12 0.09 0.04 -0.04 2.03 2.24 2kl3A15 MET 38 HG2 0.05 0.04 -0.23 -0.04 2.63 2.45 2kl3A15 MET 38 HG3 0.02 -0.04 -0.11 -0.04 2.56 2.39 2kl3A15 MET 38 HE3 0.02 -0.01 -0.09 -0.04 2.10 1.98 2kl3A15 GLY 39 H 0.10 0.10 0.24 -0.55 8.43 8.32 2kl3A15 GLY 39 HA2 0.06 0.00 0.31 -0.51 4.01 3.87 2kl3A15 GLY 39 HA3 0.02 0.20 0.77 -0.51 4.01 4.49 2kl3A15 ALA 40 H 0.17 0.24 0.07 -0.55 8.40 8.33 2kl3A15 ALA 40 HA 0.09 0.18 0.63 -0.75 4.34 4.49 2kl3A15 ALA 40 HB3 0.25 -0.05 -0.05 -0.04 1.41 1.51 2kl3A15 MET 41 H 0.11 0.40 0.30 -0.55 8.47 8.73 2kl3A15 MET 41 HA -0.02 0.20 0.86 -0.75 4.52 4.81 2kl3A15 MET 41 HB2 -0.02 -0.06 0.10 -0.04 2.15 2.14 2kl3A15 MET 41 HB3 -0.06 -0.01 -0.06 -0.04 2.03 1.86 2kl3A15 MET 41 HG2 0.03 0.09 -0.10 -0.04 2.63 2.60 2kl3A15 MET 41 HG3 -0.00 -0.02 -0.10 -0.04 2.56 2.40 2kl3A15 MET 41 HE3 -0.03 -0.01 -0.06 -0.04 2.10 1.95 2kl3A15 ALA 42 H -0.30 0.24 0.07 -0.55 8.40 7.86 2kl3A15 ALA 42 HA -0.80 0.06 0.52 -0.75 4.34 3.36 2kl3A15 ALA 42 HB3 -0.71 0.01 0.14 -0.04 1.41 0.81 2kl3A15 MET 43 H -0.18 0.41 0.01 -0.55 8.47 8.16 2kl3A15 MET 43 HA -0.12 0.22 0.79 -0.75 4.52 4.66 2kl3A15 MET 43 HB2 -0.09 -0.06 -0.06 -0.04 2.15 1.89 2kl3A15 MET 43 HB3 -0.09 -0.02 -0.08 -0.04 2.03 1.80 2kl3A15 MET 43 HG2 -0.08 0.01 -0.16 -0.04 2.63 2.36 2kl3A15 MET 43 HG3 -0.10 0.04 -0.46 -0.04 2.56 2.00 2kl3A15 MET 43 HE3 -0.04 0.03 -0.31 -0.04 2.10 1.73 2kl3A15 PRO 44 HA -0.08 0.12 0.22 -0.51 4.44 4.20 2kl3A15 PRO 44 HB2 -0.05 -0.02 -0.02 -0.04 2.28 2.16 2kl3A15 PRO 44 HB3 -0.06 -0.16 -0.06 -0.04 2.02 1.70 2kl3A15 PRO 44 HG2 -0.06 -0.10 0.08 -0.04 2.03 1.92 2kl3A15 PRO 44 HG3 -0.07 0.05 0.03 -0.04 2.03 2.00 2kl3A15 PRO 44 HD2 -0.08 0.14 0.03 -0.04 3.68 3.73 2kl3A15 PRO 44 HD3 -0.13 0.28 -0.24 -0.04 3.65 3.51 2kl3A15 ILE 45 H -0.06 0.48 0.12 -0.55 8.25 8.23 2kl3A15 ILE 45 HA -0.05 0.05 0.23 -0.75 4.18 3.66 2kl3A15 ILE 45 HB -0.05 0.23 0.31 -0.04 1.89 2.34 2kl3A15 ILE 45 HG12 -0.02 0.02 0.03 -0.04 1.49 1.48 2kl3A15 ILE 45 HG13 -0.03 -0.02 0.13 -0.04 1.21 1.24 2kl3A15 ILE 45 HG23 -0.03 -0.01 0.02 -0.04 0.93 0.87 2kl3A15 ILE 45 HD13 -0.02 -0.01 0.06 -0.04 0.88 0.86 2kl3A15 GLU 46 H -0.03 -0.02 -0.50 -0.55 8.60 7.50 2kl3A15 GLU 46 HA -0.02 0.13 0.54 -0.75 4.29 4.19 2kl3A15 GLU 46 HB2 -0.03 -0.08 0.07 -0.04 2.09 2.01 2kl3A15 GLU 46 HB3 -0.02 0.07 0.03 -0.04 1.99 2.02 2kl3A15 GLU 46 HG2 -0.02 -0.06 0.05 -0.04 2.34 2.26 2kl3A15 GLU 46 HG3 -0.02 0.00 0.04 -0.04 2.34 2.33 2kl3A15 ASP 47 H -0.04 0.21 -0.01 -0.55 8.40 8.02 2kl3A15 ASP 47 HA -0.02 0.18 0.66 -0.75 4.63 4.70 2kl3A15 ASP 47 HB2 -0.04 0.02 0.05 -0.04 2.71 2.70 2kl3A15 ASP 47 HB3 -0.03 0.02 0.11 -0.04 2.70 2.76 2kl3A15 LEU 48 H -0.04 0.27 -0.46 -0.55 8.37 7.59 2kl3A15 LEU 48 HA -0.06 -0.02 -0.02 -0.75 4.35 3.49 2kl3A15 LEU 48 HB2 -0.06 -0.04 -0.38 -0.04 1.64 1.12 2kl3A15 LEU 48 HB3 -0.04 0.04 -0.02 -0.04 1.64 1.58 2kl3A15 LEU 48 HG -0.09 0.04 -0.39 -0.04 1.64 1.15 2kl3A15 LEU 48 HD13 -0.10 0.01 -0.19 -0.04 0.93 0.62 2kl3A15 LEU 48 HD23 -0.06 0.00 -0.09 -0.04 0.89 0.70 2kl3A15 VAL 49 H -0.01 0.18 -0.19 -0.55 8.24 7.67 2kl3A15 VAL 49 HA 0.05 0.08 0.24 -0.75 4.13 3.75 2kl3A15 VAL 49 HB 0.03 -0.06 0.05 -0.04 2.12 2.10 2kl3A15 VAL 49 HG13 0.09 0.03 -0.09 -0.04 0.97 0.96 2kl3A15 VAL 49 HG23 0.03 0.03 -0.05 -0.04 0.95 0.91 2kl3A15 ASP 50 H 0.01 0.09 -0.19 -0.55 8.40 7.76 2kl3A15 ASP 50 HA 0.03 0.07 0.37 -0.75 4.63 4.35 2kl3A15 ASP 50 HB2 -0.00 0.07 0.06 -0.04 2.71 2.79 2kl3A15 ASP 50 HB3 0.01 0.01 0.03 -0.04 2.70 2.70 2kl3A15 ARG 51 H -0.01 0.51 -0.25 -0.55 8.46 8.17 2kl3A15 ARG 51 HA -0.01 0.03 0.46 -0.75 4.34 4.06 2kl3A15 ARG 51 HB2 -0.05 0.09 0.06 -0.04 1.90 1.96 2kl3A15 ARG 51 HB3 -0.05 -0.04 -0.07 -0.04 1.80 1.59 2kl3A15 ARG 51 HG2 -0.03 0.07 -0.00 -0.04 1.67 1.66 2kl3A15 ARG 51 HG3 -0.06 -0.13 -0.09 -0.04 1.67 1.35 2kl3A15 ARG 51 HD2 -0.07 0.07 0.03 -0.04 3.22 3.21 2kl3A15 ARG 51 HD3 -0.04 0.02 0.02 -0.04 3.22 3.18 2kl3A15 ALA 52 H -0.02 0.78 0.01 -0.55 8.40 8.63 2kl3A15 ALA 52 HA -0.05 -0.06 0.31 -0.75 4.34 3.79 2kl3A15 ALA 52 HB3 -0.31 0.02 0.02 -0.04 1.41 1.10 2kl3A15 SER 53 H 0.21 0.50 -0.13 -0.55 8.46 8.49 2kl3A15 SER 53 HA 0.26 0.10 0.31 -0.75 4.49 4.39 2kl3A15 SER 53 HB2 0.03 -0.04 0.04 -0.04 3.95 3.95 2kl3A15 SER 53 HB3 0.13 0.01 0.08 -0.04 3.93 4.11 2kl3A15 SER 54 H 0.07 0.23 -0.69 -0.55 8.46 7.52 2kl3A15 SER 54 HA 0.03 0.02 0.44 -0.75 4.49 4.22 2kl3A15 SER 54 HB2 0.01 0.05 0.14 -0.04 3.95 4.11 2kl3A15 SER 54 HB3 0.01 0.13 0.15 -0.04 3.93 4.18 2kl3A15 SER 55 H 0.05 0.27 -0.10 -0.55 8.46 8.13 2kl3A15 SER 55 HA 0.02 0.15 0.85 -0.75 4.49 4.76 2kl3A15 SER 55 HB2 0.00 -0.02 0.04 -0.04 3.95 3.93 2kl3A15 SER 55 HB3 0.00 -0.06 -0.04 -0.04 3.93 3.80 2kl3A15 LEU 56 H 0.08 0.46 0.23 -0.55 8.37 8.60 2kl3A15 LEU 56 HA 0.07 -0.02 0.39 -0.75 4.35 4.03 2kl3A15 LEU 56 HB2 0.11 0.08 0.05 -0.04 1.64 1.83 2kl3A15 LEU 56 HB3 0.09 0.07 0.03 -0.04 1.64 1.78 2kl3A15 LEU 56 HG -0.01 -0.06 0.01 -0.04 1.64 1.53 2kl3A15 LEU 56 HD13 -0.15 -0.02 -0.09 -0.04 0.93 0.62 2kl3A15 LEU 56 HD23 0.01 -0.00 -0.12 -0.04 0.89 0.74 2kl3A15 GLU 57 H 0.09 0.05 0.13 -0.55 8.60 8.32 2kl3A15 GLU 57 HA 0.07 0.23 0.73 -0.75 4.29 4.57 2kl3A15 GLU 57 HB2 0.06 -0.02 0.06 -0.04 2.09 2.14 2kl3A15 GLU 57 HB3 0.03 -0.25 0.17 -0.04 1.99 1.90 2kl3A15 GLU 57 HG2 0.01 -0.01 0.04 -0.04 2.34 2.34 2kl3A15 GLU 57 HG3 0.03 0.13 0.00 -0.04 2.34 2.46 2kl3A15 LYS 58 H 0.01 0.11 0.17 -0.55 8.42 8.16 2kl3A15 LYS 58 HA 0.27 0.25 0.77 -0.75 4.32 4.86 2kl3A15 LYS 58 HB2 -0.08 -0.03 0.09 -0.04 1.87 1.81 2kl3A15 LYS 58 HB3 -0.12 0.16 0.12 -0.04 1.79 1.92 2kl3A15 LYS 58 HG2 -1.02 0.05 -0.29 -0.04 1.46 0.15 2kl3A15 LYS 58 HG3 -0.27 -0.03 -0.09 -0.04 1.46 1.03 2kl3A15 LYS 58 HD2 -0.20 -0.06 -0.03 -0.04 1.69 1.36 2kl3A15 LYS 58 HD3 -0.35 0.08 -0.34 -0.04 1.68 1.02 2kl3A15 LYS 58 HE2 -0.67 0.01 -0.11 -0.04 2.99 2.18 2kl3A15 LYS 58 HE3 -0.27 -0.05 -0.03 -0.04 2.99 2.60 2kl3A15 SER 59 H 0.02 -0.00 0.10 -0.55 8.46 8.03 2kl3A15 SER 59 HA 0.02 0.16 0.73 -0.75 4.49 4.65 2kl3A15 SER 59 HB2 -0.01 0.01 0.09 -0.04 3.95 3.99 2kl3A15 SER 59 HB3 -0.05 -0.02 0.04 -0.04 3.93 3.87 2kl3A15 ARG 60 H 0.06 -0.07 -0.55 -0.55 8.46 7.35 2kl3A15 ARG 60 HA -0.02 0.08 0.40 -0.75 4.34 4.05 2kl3A15 ARG 60 HB2 0.05 -0.11 0.01 -0.04 1.90 1.81 2kl3A15 ARG 60 HB3 0.10 0.17 -0.08 -0.04 1.80 1.95 2kl3A15 ARG 60 HG2 0.06 -0.05 -0.12 -0.04 1.67 1.51 2kl3A15 ARG 60 HG3 0.08 0.07 -0.49 -0.04 1.67 1.30 2kl3A15 ARG 60 HD2 0.05 0.02 -0.21 -0.04 3.22 3.04 2kl3A15 ARG 60 HD3 0.05 0.06 -0.02 -0.04 3.22 3.27 2kl3A15 ASP 61 H 0.05 0.22 0.19 -0.55 8.40 8.31 2kl3A15 ASP 61 HA 0.13 0.11 0.53 -0.75 4.63 4.63 2kl3A15 ASP 61 HB2 0.27 0.17 0.25 -0.04 2.71 3.35 2kl3A15 ASP 61 HB3 0.26 -0.06 -0.03 -0.04 2.70 2.83 2kl3A15 ILE 62 H 0.03 0.86 0.30 -0.55 8.25 8.89 2kl3A15 ILE 62 HA 0.11 0.12 0.85 -0.75 4.18 4.51 2kl3A15 ILE 62 HB -0.05 0.08 0.25 -0.04 1.89 2.13 2kl3A15 ILE 62 HG12 0.01 -0.11 -0.16 -0.04 1.49 1.19 2kl3A15 ILE 62 HG13 0.06 0.29 -0.24 -0.04 1.21 1.27 2kl3A15 ILE 62 HG23 -0.09 -0.04 -0.20 -0.04 0.93 0.55 2kl3A15 ILE 62 HD13 -0.12 0.01 -0.07 -0.04 0.88 0.66 2kl3A15 TYR 63 H 0.30 0.70 0.29 -0.55 8.29 9.03 2kl3A15 TYR 63 HA 0.03 0.24 0.95 -0.75 4.56 5.03 2kl3A15 TYR 63 HB2 0.09 0.03 0.00 -0.04 3.06 3.14 2kl3A15 TYR 63 HB3 0.01 -0.07 -0.11 -0.04 2.98 2.77 2kl3A15 TYR 63 HD2 0.03 0.02 -0.24 -0.04 7.15 6.92 2kl3A15 TYR 63 HE2 -0.09 -0.00 -0.22 -0.04 6.85 6.50 2kl3A15 VAL 64 H 0.07 0.74 0.36 -0.55 8.24 8.86 2kl3A15 VAL 64 HA 0.09 0.13 0.94 -0.75 4.13 4.54 2kl3A15 VAL 64 HB 0.01 0.06 0.11 -0.04 2.12 2.26 2kl3A15 VAL 64 HG13 -0.02 -0.06 -0.11 -0.04 0.97 0.74 2kl3A15 VAL 64 HG23 -0.04 0.02 -0.19 -0.04 0.95 0.70 2kl3A15 TYR 65 H 0.09 0.61 0.35 -0.55 8.29 8.79 2kl3A15 TYR 65 HA 0.01 0.09 0.76 -0.75 4.56 4.66 2kl3A15 TYR 65 HB2 -0.01 -0.06 0.03 -0.04 3.06 2.99 2kl3A15 TYR 65 HB3 -0.03 0.08 -0.15 -0.04 2.98 2.83 2kl3A15 TYR 65 HD2 -0.04 0.03 -0.07 -0.04 7.15 7.03 2kl3A15 TYR 65 HE2 -0.03 0.04 -0.14 -0.04 6.85 6.68 2kl3A15 GLY 66 H 0.04 0.19 0.07 -0.55 8.43 8.19 2kl3A15 GLY 66 HA2 -0.16 0.12 0.81 -0.51 4.01 4.27 2kl3A15 GLY 66 HA3 -0.04 -0.01 0.28 -0.51 4.01 3.72 2kl3A15 ALA 67 H -0.03 0.15 0.17 -0.55 8.40 8.14 2kl3A15 ALA 67 HA 0.03 0.11 0.69 -0.75 4.34 4.42 2kl3A15 ALA 67 HB3 0.01 0.02 0.14 -0.04 1.41 1.54 2kl3A15 GLY 68 H 0.01 -0.02 -0.00 -0.55 8.43 7.87 2kl3A15 GLY 68 HA2 0.03 0.38 0.72 -0.51 4.01 4.63 2kl3A15 GLY 68 HA3 0.02 0.03 0.35 -0.51 4.01 3.90 2kl3A15 ASP 69 H 0.03 0.27 0.18 -0.55 8.40 8.33 2kl3A15 ASP 69 HA 0.03 0.15 0.37 -0.75 4.63 4.42 2kl3A15 ASP 69 HB2 0.02 0.01 0.15 -0.04 2.71 2.85 2kl3A15 ASP 69 HB3 0.02 0.09 0.06 -0.04 2.70 2.83 2kl3A15 GLU 70 H 0.01 0.08 -0.18 -0.55 8.60 7.97 2kl3A15 GLU 70 HA 0.01 0.15 0.39 -0.75 4.29 4.09 2kl3A15 GLU 70 HB2 0.01 0.06 0.09 -0.04 2.09 2.21 2kl3A15 GLU 70 HB3 0.00 -0.08 0.09 -0.04 1.99 1.96 2kl3A15 GLU 70 HG2 -0.00 0.00 -0.24 -0.04 2.34 2.06 2kl3A15 GLU 70 HG3 0.00 0.05 0.01 -0.04 2.34 2.36 2kl3A15 GLN 71 H 0.00 0.05 -0.11 -0.55 8.47 7.86 2kl3A15 GLN 71 HA -0.01 0.13 0.44 -0.75 4.36 4.16 2kl3A15 GLN 71 HB2 -0.01 0.06 0.15 -0.04 2.15 2.31 2kl3A15 GLN 71 HB3 -0.01 -0.15 0.17 -0.04 2.02 1.99 2kl3A15 GLN 71 HG2 -0.04 0.01 -0.21 -0.04 2.40 2.12 2kl3A15 GLN 71 HG3 -0.03 0.10 0.09 -0.04 2.39 2.51 2kl3A15 GLN 71 HE21 -0.02 0.06 0.10 -0.04 6.97 7.07 2kl3A15 GLN 71 HE22 -0.02 0.03 0.14 -0.04 7.69 7.79 2kl3A15 THR 72 H 0.00 0.43 -0.24 -0.55 8.28 7.92 2kl3A15 THR 72 HA -0.01 -0.02 0.28 -0.75 4.39 3.89 2kl3A15 THR 72 HB 0.03 0.16 0.13 -0.04 4.32 4.60 2kl3A15 THR 72 HG23 0.05 0.07 -0.12 -0.04 1.22 1.18 2kl3A15 SER 73 H 0.01 0.61 -0.05 -0.55 8.46 8.48 2kl3A15 SER 73 HA 0.00 0.06 0.36 -0.75 4.49 4.15 2kl3A15 SER 73 HB2 0.01 0.00 0.12 -0.04 3.95 4.04 2kl3A15 SER 73 HB3 0.00 0.02 0.17 -0.04 3.93 4.08 2kl3A15 GLN 74 H -0.00 0.59 -0.09 -0.55 8.47 8.43 2kl3A15 GLN 74 HA -0.00 0.05 0.42 -0.75 4.36 4.07 2kl3A15 GLN 74 HB2 -0.00 -0.02 0.10 -0.04 2.15 2.18 2kl3A15 GLN 74 HB3 -0.01 0.06 0.18 -0.04 2.02 2.20 2kl3A15 GLN 74 HG2 -0.01 0.03 -0.27 -0.04 2.40 2.10 2kl3A15 GLN 74 HG3 -0.01 -0.00 -0.02 -0.04 2.39 2.32 2kl3A15 GLN 74 HE21 -0.00 0.02 -0.00 -0.04 6.97 6.94 2kl3A15 GLN 74 HE22 -0.00 -0.01 -0.01 -0.04 7.69 7.62 2kl3A15 ALA 75 H -0.02 0.50 -0.13 -0.55 8.40 8.20 2kl3A15 ALA 75 HA -0.03 0.02 0.47 -0.75 4.34 4.05 2kl3A15 ALA 75 HB3 -0.04 0.02 0.09 -0.04 1.41 1.44 2kl3A15 VAL 76 H -0.02 0.50 -0.15 -0.55 8.24 8.02 2kl3A15 VAL 76 HA -0.04 0.01 0.38 -0.75 4.13 3.73 2kl3A15 VAL 76 HB -0.01 0.15 0.15 -0.04 2.12 2.37 2kl3A15 VAL 76 HG13 -0.02 0.01 -0.18 -0.04 0.97 0.73 2kl3A15 VAL 76 HG23 -0.02 0.04 -0.14 -0.04 0.95 0.79 2kl3A15 ASN 77 H -0.01 0.52 -0.19 -0.55 8.53 8.31 2kl3A15 ASN 77 HA 0.01 0.04 0.44 -0.75 4.76 4.49 2kl3A15 ASN 77 HB2 -0.00 0.01 0.15 -0.04 2.88 2.99 2kl3A15 ASN 77 HB3 0.00 0.19 0.22 -0.04 2.79 3.16 2kl3A15 ASN 77 HD21 0.00 -0.01 -0.00 -0.04 7.03 6.98 2kl3A15 ASN 77 HD22 0.00 -0.02 -0.03 -0.04 7.74 7.65 2kl3A15 LEU 78 H -0.00 0.52 -0.13 -0.55 8.37 8.22 2kl3A15 LEU 78 HA 0.02 0.01 0.36 -0.75 4.35 3.99 2kl3A15 LEU 78 HB2 -0.01 0.17 0.19 -0.04 1.64 1.95 2kl3A15 LEU 78 HB3 0.01 -0.09 0.06 -0.04 1.64 1.57 2kl3A15 LEU 78 HG -0.00 0.20 0.11 -0.04 1.64 1.91 2kl3A15 LEU 78 HD13 -0.01 -0.04 -0.01 -0.04 0.93 0.83 2kl3A15 LEU 78 HD23 0.00 -0.02 0.02 -0.04 0.89 0.85 2kl3A15 LEU 79 H -0.00 0.46 -0.27 -0.55 8.37 8.02 2kl3A15 LEU 79 HA 0.13 0.02 0.51 -0.75 4.35 4.26 2kl3A15 LEU 79 HB2 -0.05 0.13 0.15 -0.04 1.64 1.83 2kl3A15 LEU 79 HB3 -0.21 0.02 -0.05 -0.04 1.64 1.37 2kl3A15 LEU 79 HG -0.11 0.10 -0.07 -0.04 1.64 1.52 2kl3A15 LEU 79 HD13 -0.21 -0.01 -0.14 -0.04 0.93 0.53 2kl3A15 LEU 79 HD23 -0.41 -0.02 -0.15 -0.04 0.89 0.28 2kl3A15 ARG 80 H 0.05 0.66 0.07 -0.55 8.46 8.70 2kl3A15 ARG 80 HA 0.13 0.27 0.45 -0.75 4.34 4.44 2kl3A15 ARG 80 HB2 0.03 -0.04 0.08 -0.04 1.90 1.93 2kl3A15 ARG 80 HB3 0.04 0.06 0.14 -0.04 1.80 2.00 2kl3A15 ARG 80 HG2 0.02 0.16 0.27 -0.04 1.67 2.08 2kl3A15 ARG 80 HG3 0.02 -0.01 -0.04 -0.04 1.67 1.61 2kl3A15 ARG 80 HD2 0.00 -0.12 0.00 -0.04 3.22 3.07 2kl3A15 ARG 80 HD3 0.00 -0.03 0.00 -0.04 3.22 3.15 2kl3A15 SER 81 H 0.06 0.54 -0.34 -0.55 8.46 8.17 2kl3A15 SER 81 HA 0.03 0.03 0.54 -0.75 4.49 4.33 2kl3A15 SER 81 HB2 0.02 0.04 0.08 -0.04 3.95 4.05 2kl3A15 SER 81 HB3 0.04 0.09 0.08 -0.04 3.93 4.10 2kl3A15 ALA 82 H 0.13 0.32 -0.37 -0.55 8.40 7.94 2kl3A15 ALA 82 HA 0.03 0.03 0.54 -0.75 4.34 4.18 2kl3A15 ALA 82 HB3 0.25 0.01 0.16 -0.04 1.41 1.78 2kl3A15 GLY 83 H 0.04 0.28 -0.77 -0.55 8.43 7.43 2kl3A15 GLY 83 HA2 -0.04 0.04 0.20 -0.51 4.01 3.70 2kl3A15 GLY 83 HA3 -0.13 0.11 0.69 -0.51 4.01 4.16 2kl3A15 PHE 84 H 0.12 0.35 -0.16 -0.55 8.34 8.10 2kl3A15 PHE 84 HA 0.03 -0.05 0.57 -0.75 4.62 4.41 2kl3A15 PHE 84 HB2 0.01 -0.07 -0.33 -0.04 3.15 2.72 2kl3A15 PHE 84 HB3 0.02 0.06 -0.17 -0.04 3.06 2.93 2kl3A15 PHE 84 HD2 0.01 0.23 0.06 -0.04 7.28 7.53 2kl3A15 PHE 84 HE2 0.00 0.06 -0.26 -0.04 7.38 7.13 2kl3A15 PHE 84 HZ -0.00 -0.05 -0.60 -0.04 7.32 6.62 2kl3A15 GLU 85 H 0.12 0.24 0.30 -0.55 8.60 8.71 2kl3A15 GLU 85 HA 0.05 0.01 0.36 -0.75 4.29 3.96 2kl3A15 GLU 85 HB2 0.33 0.07 0.21 -0.04 2.09 2.65 2kl3A15 GLU 85 HB3 0.10 -0.05 0.02 -0.04 1.99 2.02 2kl3A15 GLU 85 HG2 0.04 -0.02 0.03 -0.04 2.34 2.35 2kl3A15 GLU 85 HG3 0.06 0.08 0.07 -0.04 2.34 2.51 2kl3A15 HIS 86 H 0.31 0.37 -0.09 -0.55 8.41 8.45 2kl3A15 HIS 86 HA -0.01 0.16 0.58 -0.75 4.63 4.60 2kl3A15 HIS 86 HB2 0.04 0.19 -0.42 -0.04 3.26 3.04 2kl3A15 HIS 86 HB3 -0.01 -0.11 -0.09 -0.04 3.20 2.95 2kl3A15 HIS 86 HD2 0.03 -0.07 0.01 -0.04 6.97 6.90 2kl3A15 HIS 86 HE1 0.03 -0.03 -0.02 -0.04 7.75 7.68 2kl3A15 VAL 87 H -0.02 0.38 0.05 -0.55 8.24 8.10 2kl3A15 VAL 87 HA -0.08 0.28 0.91 -0.75 4.13 4.48 2kl3A15 VAL 87 HB -0.01 0.01 0.08 -0.04 2.12 2.16 2kl3A15 VAL 87 HG13 -0.07 -0.04 -0.08 -0.04 0.97 0.75 2kl3A15 VAL 87 HG23 0.04 0.01 -0.37 -0.04 0.95 0.58 2kl3A15 SER 88 H -0.25 0.71 0.27 -0.55 8.46 8.65 2kl3A15 SER 88 HA -0.11 0.42 0.93 -0.75 4.49 4.98 2kl3A15 SER 88 HB2 -0.35 0.11 -0.28 -0.04 3.95 3.39 2kl3A15 SER 88 HB3 -0.80 -0.13 -0.14 -0.04 3.93 2.83 2kl3A15 GLU 89 H -0.02 0.78 0.46 -0.55 8.60 9.27 2kl3A15 GLU 89 HA 0.03 0.11 0.84 -0.75 4.29 4.51 2kl3A15 GLU 89 HB2 0.02 -0.09 -0.11 -0.04 2.09 1.86 2kl3A15 GLU 89 HB3 0.00 0.06 -0.01 -0.04 1.99 2.00 2kl3A15 GLU 89 HG2 -0.00 0.40 0.20 -0.04 2.34 2.89 2kl3A15 GLU 89 HG3 0.02 -0.17 0.12 -0.04 2.34 2.27 2kl3A15 LEU 90 H 0.10 0.65 0.32 -0.55 8.37 8.90 2kl3A15 LEU 90 HA 0.12 0.15 0.60 -0.75 4.35 4.46 2kl3A15 LEU 90 HB2 0.15 0.09 -0.01 -0.04 1.64 1.83 2kl3A15 LEU 90 HB3 0.15 -0.14 0.18 -0.04 1.64 1.78 2kl3A15 LEU 90 HG 0.12 -0.01 -0.20 -0.04 1.64 1.52 2kl3A15 LEU 90 HD13 0.13 0.03 -0.21 -0.04 0.93 0.84 2kl3A15 LEU 90 HD23 0.05 -0.02 -0.12 -0.04 0.89 0.76 2kl3A15 LYS 91 H 0.05 0.68 0.38 -0.55 8.42 8.98 2kl3A15 LYS 91 HA 0.04 0.01 0.46 -0.75 4.32 4.08 2kl3A15 LYS 91 HB2 0.01 -0.08 0.17 -0.04 1.87 1.93 2kl3A15 LYS 91 HB3 0.01 -0.02 0.04 -0.04 1.79 1.78 2kl3A15 LYS 91 HG2 0.03 0.12 0.06 -0.04 1.46 1.63 2kl3A15 LYS 91 HG3 0.01 -0.02 -0.08 -0.04 1.46 1.32 2kl3A15 LYS 91 HD2 0.01 0.04 -0.03 -0.04 1.69 1.67 2kl3A15 LYS 91 HD3 0.01 -0.04 0.02 -0.04 1.68 1.63 2kl3A15 LYS 91 HE2 0.03 -0.07 -0.07 -0.04 2.99 2.83 2kl3A15 LYS 91 HE3 0.02 0.11 -0.10 -0.04 2.99 2.98 2kl3A15 GLY 92 H 0.04 0.11 0.14 -0.55 8.43 8.18 2kl3A15 GLY 92 HA2 0.04 0.01 0.42 -0.51 4.01 3.97 2kl3A15 GLY 92 HA3 0.05 0.13 0.69 -0.51 4.01 4.37 2kl3A15 GLY 93 H 0.10 0.41 -0.12 -0.55 8.43 8.28 2kl3A15 GLY 93 HA2 0.17 0.08 0.17 -0.51 4.01 3.92 2kl3A15 GLY 93 HA3 0.12 0.23 0.83 -0.51 4.01 4.68 2kl3A15 LEU 94 H 0.19 0.31 0.15 -0.55 8.37 8.47 2kl3A15 LEU 94 HA 0.11 0.11 0.37 -0.75 4.35 4.18 2kl3A15 LEU 94 HB2 0.28 0.03 0.09 -0.04 1.64 2.00 2kl3A15 LEU 94 HB3 0.14 -0.03 0.12 -0.04 1.64 1.83 2kl3A15 LEU 94 HG 0.11 -0.01 -0.28 -0.04 1.64 1.43 2kl3A15 LEU 94 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.79 2kl3A15 LEU 94 HD23 0.10 0.04 -0.06 -0.04 0.89 0.93 2kl3A15 ALA 95 H 0.11 0.15 -0.04 -0.55 8.40 8.07 2kl3A15 ALA 95 HA 0.08 0.14 0.38 -0.75 4.34 4.19 2kl3A15 ALA 95 HB3 0.06 0.03 0.03 -0.04 1.41 1.49 2kl3A15 ALA 96 H 0.11 0.05 -0.59 -0.55 8.40 7.42 2kl3A15 ALA 96 HA 0.06 0.10 0.47 -0.75 4.34 4.22 2kl3A15 ALA 96 HB3 0.08 0.02 0.10 -0.04 1.41 1.57 2kl3A15 TRP 97 H 0.26 0.44 -0.05 -0.55 7.97 8.08 2kl3A15 TRP 97 HA -0.02 -0.03 0.36 -0.75 4.62 4.17 2kl3A15 TRP 97 HB2 -0.08 -0.03 0.09 -0.04 3.23 3.17 2kl3A15 TRP 97 HB3 -0.06 0.13 0.13 -0.04 3.23 3.39 2kl3A15 TRP 97 HD1 -0.06 0.06 -0.46 -0.04 7.22 6.72 2kl3A15 TRP 97 HE1 -0.05 0.41 -0.21 -0.04 10.20 10.31 2kl3A15 TRP 97 HE3 -0.09 -0.10 0.01 -0.04 7.59 7.37 2kl3A15 TRP 97 HZ2 -0.00 0.12 0.01 -0.04 7.44 7.53 2kl3A15 TRP 97 HZ3 -0.11 -0.08 -0.11 -0.04 7.13 6.79 2kl3A15 TRP 97 HH2 0.00 0.08 -0.20 -0.04 7.19 7.04 2kl3A15 LYS 98 H 0.20 0.53 -0.26 -0.55 8.42 8.34 2kl3A15 LYS 98 HA 0.06 0.18 0.49 -0.75 4.32 4.29 2kl3A15 LYS 98 HB2 0.09 -0.03 0.07 -0.04 1.87 1.97 2kl3A15 LYS 98 HB3 0.06 0.03 -0.03 -0.04 1.79 1.81 2kl3A15 LYS 98 HG2 0.14 0.08 -0.11 -0.04 1.46 1.54 2kl3A15 LYS 98 HG3 0.23 -0.02 -0.13 -0.04 1.46 1.50 2kl3A15 LYS 98 HD2 0.07 0.02 -0.15 -0.04 1.69 1.59 2kl3A15 LYS 98 HD3 0.09 -0.13 -0.23 -0.04 1.68 1.38 2kl3A15 LYS 98 HE2 0.05 -0.05 -0.07 -0.04 2.99 2.88 2kl3A15 LYS 98 HE3 0.05 0.06 -0.07 -0.04 2.99 2.99 2kl3A15 ALA 99 H 0.05 0.50 -0.10 -0.55 8.40 8.30 2kl3A15 ALA 99 HA 0.01 0.05 0.39 -0.75 4.34 4.04 2kl3A15 ALA 99 HB3 0.02 -0.01 0.13 -0.04 1.41 1.52 2kl3A15 ILE 100 H -0.04 0.37 -0.35 -0.55 8.25 7.68 2kl3A15 ILE 100 HA -0.05 0.09 0.57 -0.75 4.18 4.04 2kl3A15 ILE 100 HB -0.07 -0.03 0.11 -0.04 1.89 1.85 2kl3A15 ILE 100 HG12 -0.18 0.18 0.01 -0.04 1.49 1.46 2kl3A15 ILE 100 HG13 -0.33 0.07 -0.34 -0.04 1.21 0.57 2kl3A15 ILE 100 HG23 0.10 -0.01 0.01 -0.04 0.93 0.99 2kl3A15 ILE 100 HD13 -0.28 -0.08 -0.20 -0.04 0.88 0.27 2kl3A15 GLY 101 H -0.07 0.37 -0.73 -0.55 8.43 7.46 2kl3A15 GLY 101 HA2 -0.06 0.08 0.29 -0.51 4.01 3.81 2kl3A15 GLY 101 HA3 -0.08 0.02 0.45 -0.51 4.01 3.89 2kl3A15 GLY 102 H -0.28 0.28 0.04 -0.55 8.43 7.93 2kl3A15 GLY 102 HA2 -0.46 0.09 0.53 -0.51 4.01 3.66 2kl3A15 GLY 102 HA3 -1.22 -0.01 0.24 -0.51 4.01 2.51 2kl3A15 PRO 103 HA 0.10 0.09 0.52 -0.51 4.44 4.64 2kl3A15 PRO 103 HB2 0.14 -0.01 0.03 -0.04 2.28 2.40 2kl3A15 PRO 103 HB3 0.08 0.06 0.11 -0.04 2.02 2.23 2kl3A15 PRO 103 HG2 0.42 -0.01 0.16 -0.04 2.03 2.55 2kl3A15 PRO 103 HG3 0.16 0.08 0.10 -0.04 2.03 2.33 2kl3A15 PRO 103 HD2 -0.03 0.01 0.21 -0.04 3.68 3.83 2kl3A15 PRO 103 HD3 -0.05 0.21 0.21 -0.04 3.65 3.98 2kl3A15 THR 104 H 0.09 0.26 0.21 -0.55 8.28 8.28 2kl3A15 THR 104 HA 0.01 -0.07 0.92 -0.75 4.39 4.50 2kl3A15 THR 104 HB -0.02 0.07 -0.09 -0.04 4.32 4.24 2kl3A15 THR 104 HG23 0.23 -0.02 -0.38 -0.04 1.22 1.01 2kl3A15 GLU 105 H -0.27 0.77 0.26 -0.55 8.60 8.82 2kl3A15 GLU 105 HA -0.15 0.20 0.73 -0.75 4.29 4.32 2kl3A15 GLU 105 HB2 -0.73 0.04 -0.07 -0.04 2.09 1.29 2kl3A15 GLU 105 HB3 -0.28 -0.09 0.09 -0.04 1.99 1.66 2kl3A15 GLU 105 HG2 -0.07 0.08 -0.03 -0.04 2.34 2.27 2kl3A15 GLU 105 HG3 -0.10 -0.06 -0.45 -0.04 2.34 1.69 2kl3A15 GLY 106 H -0.16 0.16 0.07 -0.55 8.43 7.95 2kl3A15 GLY 106 HA2 -0.07 0.07 0.32 -0.51 4.01 3.83 2kl3A15 GLY 106 HA3 -0.10 0.14 0.70 -0.51 4.01 4.23 2kl3A15 ILE 107 H 0.01 0.58 0.28 -0.55 8.25 8.57 2kl3A15 ILE 107 HA 0.00 0.04 0.46 -0.75 4.18 3.93 2kl3A15 ILE 107 HB 0.02 -0.04 0.08 -0.04 1.89 1.91 2kl3A15 ILE 107 HG12 0.02 -0.00 0.08 -0.04 1.49 1.55 2kl3A15 ILE 107 HG13 0.03 0.07 0.19 -0.04 1.21 1.47 2kl3A15 ILE 107 HG23 0.01 0.00 -0.06 -0.04 0.93 0.84 2kl3A15 ILE 107 HD13 0.03 -0.02 0.01 -0.04 0.88 0.87 2kl3A15 ILE 108 H 0.01 0.20 0.11 -0.55 8.25 8.02 2kl3A15 ILE 108 HA 0.00 0.08 0.64 -0.75 4.18 4.15 2kl3A15 ILE 108 HB 0.01 0.08 0.25 -0.04 1.89 2.19 2kl3A15 ILE 108 HG12 0.01 -0.05 0.02 -0.04 1.49 1.44 2kl3A15 ILE 108 HG13 0.01 0.04 0.03 -0.04 1.21 1.25 2kl3A15 ILE 108 HG23 0.01 0.01 -0.13 -0.04 0.93 0.78 2kl3A15 ILE 108 HD13 0.01 -0.04 -0.06 -0.04 0.88 0.75 2kl3A15 GLU 109 H -0.01 0.40 -0.03 -0.55 8.60 8.41 2kl3A15 GLU 109 HA -0.00 0.01 0.26 -0.75 4.29 3.81 2kl3A15 GLU 109 HB2 -0.04 0.01 0.18 -0.04 2.09 2.20 2kl3A15 GLU 109 HB3 -0.06 -0.00 -0.38 -0.04 1.99 1.51 2kl3A15 GLU 109 HG2 0.00 -0.06 -0.04 -0.04 2.34 2.20 2kl3A15 GLU 109 HG3 -0.04 0.01 -0.14 -0.04 2.34 2.13 2kl3A15 SER 110 H -0.02 0.37 -0.53 -0.55 8.46 7.74 2kl3A15 SER 110 HA -0.01 -0.02 0.33 -0.75 4.49 4.04 2kl3A15 SER 110 HB2 -0.01 0.19 0.09 -0.04 3.95 4.18 2kl3A15 SER 110 HB3 -0.01 -0.09 0.02 -0.04 3.93 3.81 2kl3A15 ARG 111 H -0.00 0.38 -0.33 -0.55 8.46 7.95 2kl3A15 ARG 111 HA 0.00 0.08 0.79 -0.75 4.34 4.45 2kl3A15 ARG 111 HB2 0.00 -0.05 0.01 -0.04 1.90 1.82 2kl3A15 ARG 111 HB3 0.00 -0.04 0.01 -0.04 1.80 1.73 2kl3A15 ARG 111 HG2 0.00 0.25 0.29 -0.04 1.67 2.17 2kl3A15 ARG 111 HG3 0.01 -0.07 -0.02 -0.04 1.67 1.55 2kl3A15 ARG 111 HD2 0.01 -0.10 0.02 -0.04 3.22 3.10 2kl3A15 ARG 111 HD3 0.01 -0.05 -0.00 -0.04 3.22 3.13 2kl3A15 THR 112 H 0.00 0.15 0.16 -0.55 8.28 8.04 2kl3A15 THR 112 HA 0.01 0.21 0.92 -0.75 4.39 4.77 2kl3A15 THR 112 HB 0.01 0.09 -0.15 -0.04 4.32 4.22 2kl3A15 THR 112 HG23 0.00 -0.02 -0.02 -0.04 1.22 1.14 2kl3A15 PRO 113 HA 0.01 0.06 0.58 -0.51 4.44 4.57 2kl3A15 PRO 113 HB2 0.01 -0.00 -0.00 -0.04 2.28 2.24 2kl3A15 PRO 113 HB3 0.01 0.01 0.07 -0.04 2.02 2.07 2kl3A15 PRO 113 HG2 0.01 0.00 0.07 -0.04 2.03 2.07 2kl3A15 PRO 113 HG3 0.01 0.04 0.04 -0.04 2.03 2.07 2kl3A15 PRO 113 HD2 0.01 0.08 0.21 -0.04 3.68 3.94 2kl3A15 PRO 113 HD3 0.01 0.23 0.23 -0.04 3.65 4.07 2kl3A15 ALA 114 H 0.01 0.26 0.22 -0.55 8.40 8.34 2kl3A15 ALA 114 HA 0.01 0.06 0.58 -0.75 4.34 4.23 2kl3A15 ALA 114 HB3 0.00 0.04 -0.09 -0.04 1.41 1.32 2kl3A15 GLY 115 H 0.01 0.13 0.16 -0.55 8.43 8.18 2kl3A15 GLY 115 HA2 0.01 0.02 0.30 -0.51 4.01 3.83 2kl3A15 GLY 115 HA3 0.01 0.18 0.72 -0.51 4.01 4.40 2kl3A15 ALA 116 H 0.01 0.07 0.06 -0.55 8.40 7.99 2kl3A15 ALA 116 HA 0.01 0.19 0.90 -0.75 4.34 4.69 2kl3A15 ALA 116 HB3 0.01 0.02 -0.06 -0.04 1.41 1.34 2kl3A15 ASP 117 H 0.02 0.29 0.16 -0.55 8.40 8.32 2kl3A15 ASP 117 HA 0.02 0.16 0.77 -0.75 4.63 4.82 2kl3A15 ASP 117 HB2 0.01 -0.00 -0.32 -0.04 2.71 2.36 2kl3A15 ASP 117 HB3 0.02 0.01 -0.08 -0.04 2.70 2.60 2kl3A15 ASP 118 H 0.05 0.28 0.20 -0.55 8.40 8.38 2kl3A15 ASP 118 HA 0.06 0.11 0.47 -0.75 4.63 4.51 2kl3A15 ASP 118 HB2 0.03 -0.02 0.08 -0.04 2.71 2.76 2kl3A15 ASP 118 HB3 0.03 0.13 -0.13 -0.04 2.70 2.68 2kl3A15 TYR 119 H 0.10 0.24 0.13 -0.55 8.29 8.22 2kl3A15 TYR 119 HA 0.00 0.10 0.62 -0.75 4.56 4.53 2kl3A15 TYR 119 HB2 0.00 0.10 -0.14 -0.04 3.06 2.98 2kl3A15 TYR 119 HB3 0.00 -0.02 -0.05 -0.04 2.98 2.88 2kl3A15 TYR 119 HD2 0.00 -0.02 -0.14 -0.04 7.15 6.95 2kl3A15 TYR 119 HE2 0.00 -0.01 -0.06 -0.04 6.85 6.74 2kl3A15 ASN 120 H -0.55 0.17 0.08 -0.55 8.53 7.69 2kl3A15 ASN 120 HA -0.17 0.07 0.50 -0.75 4.76 4.41 2kl3A15 ASN 120 HB2 -0.39 0.02 0.23 -0.04 2.88 2.70 2kl3A15 ASN 120 HB3 -0.18 0.04 0.08 -0.04 2.79 2.68 2kl3A15 ASN 120 HD21 -0.10 0.02 0.03 -0.04 7.03 6.93 2kl3A15 ASN 120 HD22 -0.07 0.01 0.01 -0.04 7.74 7.64 2kl3A15 VAL 121 H -0.05 0.26 0.25 -0.55 8.24 8.15 2kl3A15 VAL 121 HA 0.11 0.10 0.44 -0.75 4.13 4.03 2kl3A15 VAL 121 HB 0.07 0.00 0.15 -0.04 2.12 2.30 2kl3A15 VAL 121 HG13 0.17 0.05 0.01 -0.04 0.97 1.16 2kl3A15 VAL 121 HG23 0.02 0.00 0.16 -0.04 0.95 1.10 2kl3A15 VAL 122 H -0.06 0.60 -0.03 -0.55 8.24 8.20 2kl3A15 VAL 122 HA 0.00 0.14 0.90 -0.75 4.13 4.42 2kl3A15 VAL 122 HB -0.03 0.00 -0.14 -0.04 2.12 1.90 2kl3A15 VAL 122 HG13 -0.07 0.01 0.02 -0.04 0.97 0.88 2kl3A15 VAL 122 HG23 -0.01 -0.01 -0.11 -0.04 0.95 0.79 2kl3A15 SER 123 H 0.02 0.23 -0.03 -0.55 8.46 8.13 2kl3A15 SER 123 HA 0.02 0.06 0.56 -0.75 4.49 4.38 2kl3A15 SER 123 HB2 0.05 0.12 -0.13 -0.04 3.95 3.96 2kl3A15 SER 123 HB3 0.04 -0.02 0.02 -0.04 3.93 3.94 2kl3A15 ARG 124 H 0.02 0.22 0.01 -0.55 8.46 8.15 2kl3A15 ARG 124 HA 0.02 0.09 0.58 -0.75 4.34 4.28 2kl3A15 ARG 124 HB2 0.02 0.11 -0.11 -0.04 1.90 1.88 2kl3A15 ARG 124 HB3 0.02 -0.03 0.03 -0.04 1.80 1.77 2kl3A15 ARG 124 HG2 0.02 -0.01 -0.05 -0.04 1.67 1.60 2kl3A15 ARG 124 HG3 0.02 -0.02 -0.28 -0.04 1.67 1.36 2kl3A15 ARG 124 HD2 0.02 -0.01 -0.05 -0.04 3.22 3.14 2kl3A15 ARG 124 HD3 0.02 -0.02 0.08 -0.04 3.22 3.26 2kl3A15 LEU 125 H 0.02 0.26 0.12 -0.55 8.37 8.22 2kl3A15 LEU 125 HA 0.04 0.16 0.77 -0.75 4.35 4.56 2kl3A15 LEU 125 HB2 0.03 0.00 0.01 -0.04 1.64 1.64 2kl3A15 LEU 125 HB3 0.03 0.07 -0.09 -0.04 1.64 1.61 2kl3A15 LEU 125 HG 0.01 0.03 -0.05 -0.04 1.64 1.59 2kl3A15 LEU 125 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.82 2kl3A15 LEU 125 HD23 0.00 0.00 -0.05 -0.04 0.89 0.80 2kl3A15 GLU 126 H 0.07 0.22 0.04 -0.55 8.60 8.38 2kl3A15 GLU 126 HA -0.04 0.03 0.41 -0.75 4.29 3.93 2kl3A15 GLU 126 HB2 0.02 -0.03 0.01 -0.04 2.09 2.05 2kl3A15 GLU 126 HB3 0.02 0.21 0.06 -0.04 1.99 2.25 2kl3A15 GLU 126 HG2 0.03 -0.05 -0.28 -0.04 2.34 2.00 2kl3A15 GLU 126 HG3 0.05 0.01 0.06 -0.04 2.34 2.41 2kl3A15 HIS 127 H -0.40 0.21 -0.04 -0.55 8.41 7.63 2kl3A15 HIS 127 HA -0.12 0.02 0.27 -0.75 4.63 4.05 2kl3A15 HIS 127 HB2 -0.08 0.00 0.11 -0.04 3.26 3.26 2kl3A15 HIS 127 HB3 -0.06 0.19 0.23 -0.04 3.20 3.51 2kl3A15 HIS 127 HD2 -0.08 -0.05 -0.18 -0.04 6.97 6.61 2kl3A15 HIS 127 HE1 -0.12 0.02 0.01 -0.04 7.75 7.62 2kl3A15 HIS 128 H -0.26 0.17 0.02 -0.55 8.41 7.80 2kl3A15 HIS 128 HA -0.06 0.24 0.70 -0.75 4.63 4.74 2kl3A15 HIS 128 HB2 -0.20 -0.01 0.06 -0.04 3.26 3.07 2kl3A15 HIS 128 HB3 -0.10 0.03 0.21 -0.04 3.20 3.30 2kl3A15 HIS 128 HD2 -0.14 -0.04 -0.11 -0.04 6.97 6.63 2kl3A15 HIS 128 HE1 -0.11 0.01 0.01 -0.04 7.75 7.61 2kl3A15 HIS 129 H 0.01 0.12 -0.10 -0.55 8.41 7.89 2kl3A15 HIS 129 HA 0.11 0.20 0.91 -0.75 4.63 5.10 2kl3A15 HIS 129 HB2 0.08 0.00 0.19 -0.04 3.26 3.50 2kl3A15 HIS 129 HB3 0.07 0.04 0.08 -0.04 3.20 3.35 2kl3A15 HIS 129 HD2 0.06 0.09 -0.05 -0.04 6.97 7.03 2kl3A15 HIS 129 HE1 0.05 0.03 -0.04 -0.04 7.75 7.75 2kl3A15 HIS 130 H 0.23 0.28 -0.21 -0.55 8.41 8.17 2kl3A15 HIS 130 HA 0.12 0.06 0.46 -0.75 4.63 4.52 2kl3A15 HIS 130 HB2 0.09 0.12 -0.23 -0.04 3.26 3.20 2kl3A15 HIS 130 HB3 0.10 -0.00 -0.01 -0.04 3.20 3.24 2kl3A15 HIS 130 HD2 0.09 -0.03 -0.17 -0.04 6.97 6.82 2kl3A15 HIS 130 HE1 0.02 0.01 -0.02 -0.04 7.75 7.71 2kl3A15 HIS 131 H 0.05 0.21 -0.06 -0.55 8.41 8.06 2kl3A15 HIS 131 HA 0.07 0.07 0.56 -0.75 4.63 4.59 2kl3A15 HIS 131 HB2 0.08 0.12 -0.15 -0.04 3.26 3.28 2kl3A15 HIS 131 HB3 0.05 -0.01 0.07 -0.04 3.20 3.27 2kl3A15 HIS 131 HD2 0.06 0.02 0.05 -0.04 6.97 7.05 2kl3A15 HIS 131 HE1 -0.00 0.01 -0.03 -0.04 7.75 7.68 2kl3A15 HIS 132 H -0.05 0.16 -0.01 -0.55 8.41 7.96 2kl3A15 HIS 132 HA -0.19 0.26 0.70 -0.75 4.63 4.64 2kl3A15 HIS 132 HB2 -0.15 -0.02 -0.18 -0.04 3.26 2.88 2kl3A15 HIS 132 HB3 -0.12 0.02 0.03 -0.04 3.20 3.08 2kl3A15 HIS 132 HD2 -0.06 0.01 -0.01 -0.04 6.97 6.86 2kl3A15 HIS 132 HE1 -0.04 0.00 0.01 -0.04 7.75 7.68