============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 2 1.000 -12.754 -5.443 -2.226 -99.200 -91.000 TRP 6 1.040 -7.115 -9.047 2.811 -99.200 -91.000 TRP6 6 1.020 -8.093 -10.916 1.753 -99.200 -91.000 TYR 9 0.840 2.160 -13.882 -1.293 -99.200 -91.000 TYR 14 0.840 9.596 -4.533 -2.145 -99.200 -91.000 PHE 17 1.000 8.603 3.954 -4.857 -99.200 -91.000 PHE 47 1.000 -13.433 0.289 3.854 -99.200 -91.000 PHE 62 1.000 -9.177 3.892 2.580 -99.200 -91.000 HIS 83 0.900 -14.244 6.397 -7.510 -99.200 -91.000 PHE 96 1.000 -1.653 6.502 -5.832 -99.200 -91.000 HIS 98 0.900 -5.395 1.119 -4.820 -99.200 -91.000 PHE 113 1.000 3.823 4.257 -4.426 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k62A7 ALA 1 HA 0.19 -0.12 0.21 -0.75 4.34 3.87 2k62A7 ALA 1 HB3 0.14 -0.02 0.04 -0.04 1.41 1.53 2k62A7 PHE 2 H 0.43 0.06 0.05 -0.55 8.34 8.32 2k62A7 PHE 2 HA 0.24 0.27 0.81 -0.75 4.62 5.19 2k62A7 PHE 2 HB2 0.19 -0.05 -0.01 -0.04 3.15 3.24 2k62A7 PHE 2 HB3 0.16 -0.03 0.03 -0.04 3.06 3.18 2k62A7 PHE 2 HD2 0.05 0.08 -0.40 -0.04 7.28 6.97 2k62A7 PHE 2 HE2 -0.02 -0.04 -0.11 -0.04 7.38 7.17 2k62A7 PHE 2 HZ -0.03 -0.02 -0.15 -0.04 7.32 7.08 2k62A7 SER 3 H 0.34 -0.06 -0.13 -0.55 8.46 8.07 2k62A7 SER 3 HA 0.30 0.05 0.35 -0.75 4.49 4.44 2k62A7 SER 3 HB2 0.07 0.05 -0.02 -0.04 3.95 4.00 2k62A7 SER 3 HB3 0.05 -0.07 0.07 -0.04 3.93 3.94 2k62A7 GLY 4 H 0.12 0.47 0.39 -0.55 8.43 8.86 2k62A7 GLY 4 HA2 -0.13 -0.00 0.29 -0.51 4.01 3.65 2k62A7 GLY 4 HA3 -0.31 0.19 0.65 -0.51 4.01 4.03 2k62A7 THR 5 H -0.56 0.19 0.13 -0.55 8.28 7.50 2k62A7 THR 5 HA -0.12 0.32 1.08 -0.75 4.39 4.93 2k62A7 THR 5 HB -0.19 -0.02 0.15 -0.04 4.32 4.21 2k62A7 THR 5 HG23 -0.04 0.00 -0.07 -0.04 1.22 1.07 2k62A7 TRP 6 H 0.13 0.77 0.32 -0.55 7.97 8.65 2k62A7 TRP 6 HE1 0.05 0.31 -0.27 -0.04 10.20 10.26 2k62A7 TRP 6 HA 0.04 0.21 1.02 -0.75 4.62 5.14 2k62A7 TRP 6 HB2 0.04 -0.04 -0.03 -0.04 3.23 3.16 2k62A7 TRP 6 HB3 0.02 -0.01 -0.07 -0.04 3.23 3.14 2k62A7 TRP 6 HD1 0.06 0.00 -0.19 -0.04 7.22 7.06 2k62A7 TRP 6 HE3 0.01 -0.09 -0.41 -0.04 7.59 7.06 2k62A7 TRP 6 HZ2 -0.04 0.10 -0.21 -0.04 7.44 7.26 2k62A7 TRP 6 HZ3 -0.02 0.13 -0.21 -0.04 7.13 6.99 2k62A7 TRP 6 HH2 -0.04 0.06 -0.18 -0.04 7.19 6.99 2k62A7 GLN 7 H 0.32 0.74 0.44 -0.55 8.47 9.43 2k62A7 GLN 7 HA 0.17 0.18 1.00 -0.75 4.36 4.96 2k62A7 GLN 7 HB2 0.12 -0.05 0.09 -0.04 2.15 2.27 2k62A7 GLN 7 HB3 0.22 -0.04 0.21 -0.04 2.02 2.37 2k62A7 GLN 7 HG2 0.09 -0.03 -0.03 -0.04 2.40 2.38 2k62A7 GLN 7 HG3 0.24 0.01 -0.25 -0.04 2.39 2.35 2k62A7 GLN 7 HE21 0.07 0.05 -0.12 -0.04 6.97 6.93 2k62A7 GLN 7 HE22 0.06 -0.07 -0.03 -0.04 7.69 7.61 2k62A7 VAL 8 H 0.15 0.38 0.17 -0.55 8.24 8.38 2k62A7 VAL 8 HA 0.01 0.21 0.88 -0.75 4.13 4.47 2k62A7 VAL 8 HB 0.01 -0.02 -0.08 -0.04 2.12 1.99 2k62A7 VAL 8 HG13 0.04 -0.02 -0.21 -0.04 0.97 0.74 2k62A7 VAL 8 HG23 0.09 0.03 0.12 -0.04 0.95 1.15 2k62A7 TYR 9 H -0.29 0.74 0.36 -0.55 8.29 8.55 2k62A7 TYR 9 HA 0.03 0.21 1.04 -0.75 4.56 5.09 2k62A7 TYR 9 HB2 0.02 -0.03 0.04 -0.04 3.06 3.05 2k62A7 TYR 9 HB3 0.03 0.02 -0.06 -0.04 2.98 2.93 2k62A7 TYR 9 HD2 0.03 -0.03 -0.04 -0.04 7.15 7.07 2k62A7 TYR 9 HE2 0.03 -0.07 -0.00 -0.04 6.85 6.77 2k62A7 ALA 10 H 0.03 0.41 0.20 -0.55 8.40 8.48 2k62A7 ALA 10 HA -0.05 0.03 0.67 -0.75 4.34 4.24 2k62A7 ALA 10 HB3 -0.19 -0.03 0.11 -0.04 1.41 1.26 2k62A7 GLN 11 H -0.06 -0.04 0.27 -0.55 8.47 8.09 2k62A7 GLN 11 HA -0.03 0.24 0.75 -0.75 4.36 4.57 2k62A7 GLN 11 HB2 0.11 0.08 -0.14 -0.04 2.15 2.16 2k62A7 GLN 11 HB3 0.08 -0.02 0.01 -0.04 2.02 2.04 2k62A7 GLN 11 HG2 0.19 -0.15 0.15 -0.04 2.40 2.55 2k62A7 GLN 11 HG3 0.37 0.11 0.14 -0.04 2.39 2.97 2k62A7 GLN 11 HE21 0.06 0.03 0.01 -0.04 6.97 7.03 2k62A7 GLN 11 HE22 0.09 -0.08 0.04 -0.04 7.69 7.70 2k62A7 GLU 12 H -0.07 -0.09 0.25 -0.55 8.60 8.14 2k62A7 GLU 12 HA 0.01 0.03 0.57 -0.75 4.29 4.15 2k62A7 GLU 12 HB2 -0.02 0.06 0.08 -0.04 2.09 2.17 2k62A7 GLU 12 HB3 -0.01 0.04 0.17 -0.04 1.99 2.14 2k62A7 GLU 12 HG2 -0.09 0.02 0.28 -0.04 2.34 2.51 2k62A7 GLU 12 HG3 -0.06 0.06 0.13 -0.04 2.34 2.44 2k62A7 ASN 13 H 0.04 0.16 0.28 -0.55 8.53 8.48 2k62A7 ASN 13 HA 0.07 -0.02 0.34 -0.75 4.76 4.40 2k62A7 ASN 13 HB2 0.01 0.25 -0.04 -0.04 2.88 3.05 2k62A7 ASN 13 HB3 0.06 -0.01 0.16 -0.04 2.79 2.96 2k62A7 ASN 13 HD21 0.01 -0.06 0.06 -0.04 7.03 7.00 2k62A7 ASN 13 HD22 0.02 0.60 0.18 -0.04 7.74 8.49 2k62A7 TYR 14 H 0.15 0.38 -0.38 -0.55 8.29 7.89 2k62A7 TYR 14 HA 0.08 0.13 0.24 -0.75 4.56 4.26 2k62A7 TYR 14 HB2 0.04 0.32 0.13 -0.04 3.06 3.51 2k62A7 TYR 14 HB3 0.03 -0.04 0.04 -0.04 2.98 2.97 2k62A7 TYR 14 HD2 0.06 -0.08 0.06 -0.04 7.15 7.14 2k62A7 TYR 14 HE2 0.04 0.02 0.03 -0.04 6.85 6.91 2k62A7 GLU 15 H 0.17 0.18 0.02 -0.55 8.60 8.42 2k62A7 GLU 15 HA 0.02 0.08 0.37 -0.75 4.29 4.01 2k62A7 GLU 15 HB2 0.02 0.04 0.05 -0.04 2.09 2.16 2k62A7 GLU 15 HB3 0.03 0.05 0.11 -0.04 1.99 2.14 2k62A7 GLU 15 HG2 0.07 -0.06 0.06 -0.04 2.34 2.38 2k62A7 GLU 15 HG3 0.06 0.05 -0.17 -0.04 2.34 2.23 2k62A7 GLU 16 H 0.12 0.01 -0.60 -0.55 8.60 7.57 2k62A7 GLU 16 HA 0.07 0.07 0.29 -0.75 4.29 3.97 2k62A7 GLU 16 HB2 0.09 -0.15 0.03 -0.04 2.09 2.02 2k62A7 GLU 16 HB3 0.12 0.15 -0.03 -0.04 1.99 2.20 2k62A7 GLU 16 HG2 0.06 0.01 -0.00 -0.04 2.34 2.37 2k62A7 GLU 16 HG3 0.08 0.05 -0.01 -0.04 2.34 2.41 2k62A7 PHE 17 H 0.25 0.40 -0.28 -0.55 8.34 8.16 2k62A7 PHE 17 HA 0.06 0.11 0.46 -0.75 4.62 4.49 2k62A7 PHE 17 HB2 0.09 0.01 0.01 -0.04 3.15 3.22 2k62A7 PHE 17 HB3 0.07 0.12 0.07 -0.04 3.06 3.28 2k62A7 PHE 17 HD2 -0.00 0.05 -0.03 -0.04 7.28 7.26 2k62A7 PHE 17 HE2 -0.20 0.00 -0.12 -0.04 7.38 7.03 2k62A7 PHE 17 HZ -0.24 -0.03 -0.07 -0.04 7.32 6.94 2k62A7 LEU 18 H 0.04 0.28 -0.25 -0.55 8.37 7.89 2k62A7 LEU 18 HA -0.33 -0.00 0.30 -0.75 4.35 3.56 2k62A7 LEU 18 HB2 -0.06 0.11 0.12 -0.04 1.64 1.77 2k62A7 LEU 18 HB3 -0.12 -0.11 -0.02 -0.04 1.64 1.34 2k62A7 LEU 18 HG -0.00 0.25 -0.01 -0.04 1.64 1.83 2k62A7 LEU 18 HD13 -0.14 -0.02 -0.07 -0.04 0.93 0.65 2k62A7 LEU 18 HD23 -0.14 -0.03 -0.09 -0.04 0.89 0.59 2k62A7 LYS 19 H -0.03 0.46 -0.27 -0.55 8.42 8.03 2k62A7 LYS 19 HA -0.05 0.15 0.58 -0.75 4.32 4.25 2k62A7 LYS 19 HB2 -0.00 -0.01 0.21 -0.04 1.87 2.02 2k62A7 LYS 19 HB3 -0.02 -0.07 0.09 -0.04 1.79 1.75 2k62A7 LYS 19 HG2 0.01 0.29 0.10 -0.04 1.46 1.83 2k62A7 LYS 19 HG3 0.02 0.08 -0.00 -0.04 1.46 1.52 2k62A7 LYS 19 HD2 0.01 -0.02 0.00 -0.04 1.69 1.65 2k62A7 LYS 19 HD3 0.00 -0.05 0.00 -0.04 1.68 1.59 2k62A7 LYS 19 HE2 0.03 0.07 -0.36 -0.04 2.99 2.69 2k62A7 LYS 19 HE3 0.03 -0.03 -0.11 -0.04 2.99 2.84 2k62A7 ALA 20 H -0.12 0.35 -0.99 -0.55 8.40 7.09 2k62A7 ALA 20 HA 0.01 0.12 0.76 -0.75 4.34 4.48 2k62A7 ALA 20 HB3 0.14 -0.00 0.10 -0.04 1.41 1.60 2k62A7 LEU 21 H -0.15 0.27 0.02 -0.55 8.37 7.97 2k62A7 LEU 21 HA -0.07 0.15 0.64 -0.75 4.35 4.31 2k62A7 LEU 21 HB2 -0.71 0.15 -0.23 -0.04 1.64 0.80 2k62A7 LEU 21 HB3 -0.49 -0.01 0.06 -0.04 1.64 1.15 2k62A7 LEU 21 HG -0.11 -0.18 0.17 -0.04 1.64 1.48 2k62A7 LEU 21 HD13 0.16 0.02 0.05 -0.04 0.93 1.12 2k62A7 LEU 21 HD23 -0.24 0.01 -0.03 -0.04 0.89 0.59 2k62A7 ALA 22 H -0.15 0.15 0.09 -0.55 8.40 7.95 2k62A7 ALA 22 HA -0.06 0.13 0.43 -0.75 4.34 4.09 2k62A7 ALA 22 HB3 -0.06 0.01 0.15 -0.04 1.41 1.47 2k62A7 LEU 23 H -0.13 0.37 -0.82 -0.55 8.37 7.24 2k62A7 LEU 23 HA -0.09 0.24 1.08 -0.75 4.35 4.82 2k62A7 LEU 23 HB2 -0.16 0.45 0.18 -0.04 1.64 2.07 2k62A7 LEU 23 HB3 -0.11 -0.21 -0.10 -0.04 1.64 1.18 2k62A7 LEU 23 HG -0.14 0.10 -0.28 -0.04 1.64 1.28 2k62A7 LEU 23 HD13 -0.31 -0.05 -0.10 -0.04 0.93 0.43 2k62A7 LEU 23 HD23 -0.14 -0.04 -0.15 -0.04 0.89 0.52 2k62A7 PRO 24 HA -0.04 0.23 0.53 -0.51 4.44 4.65 2k62A7 PRO 24 HB2 -0.03 0.01 0.24 -0.04 2.28 2.47 2k62A7 PRO 24 HB3 -0.03 0.10 0.09 -0.04 2.02 2.14 2k62A7 PRO 24 HG2 -0.04 -0.12 0.03 -0.04 2.03 1.87 2k62A7 PRO 24 HG3 -0.03 0.12 0.07 -0.04 2.03 2.14 2k62A7 PRO 24 HD2 -0.06 -0.06 0.16 -0.04 3.68 3.68 2k62A7 PRO 24 HD3 -0.05 0.41 0.10 -0.04 3.65 4.07 2k62A7 GLU 25 H -0.06 0.38 -1.07 -0.55 8.60 7.31 2k62A7 GLU 25 HA -0.04 0.04 0.23 -0.75 4.29 3.77 2k62A7 GLU 25 HB2 -0.03 0.08 -0.39 -0.04 2.09 1.71 2k62A7 GLU 25 HB3 -0.02 0.04 0.04 -0.04 1.99 2.00 2k62A7 GLU 25 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.26 2k62A7 GLU 25 HG3 -0.02 0.05 -0.03 -0.04 2.34 2.30 2k62A7 ASP 26 H -0.03 0.59 -0.79 -0.55 8.40 7.62 2k62A7 ASP 26 HA -0.03 0.09 0.37 -0.75 4.63 4.31 2k62A7 ASP 26 HB2 -0.02 0.08 0.11 -0.04 2.71 2.83 2k62A7 ASP 26 HB3 -0.03 -0.00 0.04 -0.04 2.70 2.67 2k62A7 LEU 27 H -0.05 0.09 -0.43 -0.55 8.37 7.43 2k62A7 LEU 27 HA -0.05 0.13 0.44 -0.75 4.35 4.11 2k62A7 LEU 27 HB2 -0.08 0.01 -0.02 -0.04 1.64 1.50 2k62A7 LEU 27 HB3 -0.07 0.01 0.11 -0.04 1.64 1.65 2k62A7 LEU 27 HG -0.05 -0.08 0.00 -0.04 1.64 1.47 2k62A7 LEU 27 HD13 -0.06 0.04 0.05 -0.04 0.93 0.91 2k62A7 LEU 27 HD23 -0.04 0.02 -0.06 -0.04 0.89 0.77 2k62A7 ILE 28 H -0.06 0.52 -0.77 -0.55 8.25 7.39 2k62A7 ILE 28 HA -0.11 0.04 0.37 -0.75 4.18 3.73 2k62A7 ILE 28 HB -0.05 0.09 0.12 -0.04 1.89 2.00 2k62A7 ILE 28 HG12 -0.05 0.00 -0.10 -0.04 1.49 1.30 2k62A7 ILE 28 HG13 -0.06 -0.07 0.06 -0.04 1.21 1.10 2k62A7 ILE 28 HG23 -0.04 0.04 0.01 -0.04 0.93 0.90 2k62A7 ILE 28 HD13 -0.02 0.00 0.01 -0.04 0.88 0.83 2k62A7 LYS 29 H -0.05 0.29 -0.12 -0.55 8.42 7.98 2k62A7 LYS 29 HA -0.05 0.12 0.46 -0.75 4.32 4.09 2k62A7 LYS 29 HB2 -0.03 0.06 0.07 -0.04 1.87 1.93 2k62A7 LYS 29 HB3 -0.03 0.05 0.01 -0.04 1.79 1.78 2k62A7 LYS 29 HG2 -0.02 0.01 -0.01 -0.04 1.46 1.40 2k62A7 LYS 29 HG3 -0.03 -0.02 0.01 -0.04 1.46 1.38 2k62A7 LYS 29 HD2 -0.02 0.02 0.02 -0.04 1.69 1.68 2k62A7 LYS 29 HD3 -0.01 0.02 0.00 -0.04 1.68 1.64 2k62A7 LYS 29 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 2k62A7 LYS 29 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.93 2k62A7 MET 30 H -0.07 0.06 -0.38 -0.55 8.47 7.53 2k62A7 MET 30 HA -0.04 0.12 0.42 -0.75 4.52 4.27 2k62A7 MET 30 HB2 -0.04 -0.01 0.06 -0.04 2.15 2.11 2k62A7 MET 30 HB3 -0.07 0.10 0.09 -0.04 2.03 2.12 2k62A7 MET 30 HG2 -0.03 0.00 -0.00 -0.04 2.63 2.56 2k62A7 MET 30 HG3 -0.03 0.02 -0.02 -0.04 2.56 2.48 2k62A7 MET 30 HE3 -0.05 0.00 -0.04 -0.04 2.10 1.97 2k62A7 ALA 31 H -0.14 0.40 -0.24 -0.55 8.40 7.87 2k62A7 ALA 31 HA -0.17 0.06 0.40 -0.75 4.34 3.88 2k62A7 ALA 31 HB3 -0.38 0.02 0.04 -0.04 1.41 1.06 2k62A7 ARG 32 H -0.20 0.30 -0.26 -0.55 8.46 7.74 2k62A7 ARG 32 HA -0.17 0.07 0.40 -0.75 4.34 3.89 2k62A7 ARG 32 HB2 0.01 -0.04 0.11 -0.04 1.90 1.95 2k62A7 ARG 32 HB3 -0.09 0.00 0.13 -0.04 1.80 1.80 2k62A7 ARG 32 HG2 -0.06 -0.09 0.20 -0.04 1.67 1.68 2k62A7 ARG 32 HG3 -0.02 0.12 -0.20 -0.04 1.67 1.52 2k62A7 ARG 32 HD2 -0.01 -0.06 -0.01 -0.04 3.22 3.11 2k62A7 ARG 32 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.13 2k62A7 ASP 33 H -0.06 0.20 -0.70 -0.55 8.40 7.29 2k62A7 ASP 33 HA 0.03 0.13 0.68 -0.75 4.63 4.71 2k62A7 ASP 33 HB2 -0.00 0.02 0.05 -0.04 2.71 2.73 2k62A7 ASP 33 HB3 -0.01 0.08 0.05 -0.04 2.70 2.78 2k62A7 ILE 34 H -0.00 0.25 -0.39 -0.55 8.25 7.56 2k62A7 ILE 34 HA 0.05 -0.05 0.44 -0.75 4.18 3.87 2k62A7 ILE 34 HB 0.11 0.16 0.25 -0.04 1.89 2.38 2k62A7 ILE 34 HG12 -0.03 0.30 0.17 -0.04 1.49 1.88 2k62A7 ILE 34 HG13 0.00 -0.11 -0.01 -0.04 1.21 1.04 2k62A7 ILE 34 HG23 0.09 -0.04 -0.06 -0.04 0.93 0.88 2k62A7 ILE 34 HD13 0.01 -0.04 -0.08 -0.04 0.88 0.74 2k62A7 LYS 35 H 0.07 0.30 0.25 -0.55 8.42 8.48 2k62A7 LYS 35 HA 0.11 0.20 0.78 -0.75 4.32 4.66 2k62A7 LYS 35 HB2 0.08 0.02 0.10 -0.04 1.87 2.03 2k62A7 LYS 35 HB3 0.10 -0.07 0.17 -0.04 1.79 1.95 2k62A7 LYS 35 HG2 0.14 0.11 0.23 -0.04 1.46 1.90 2k62A7 LYS 35 HG3 0.16 0.14 -0.42 -0.04 1.46 1.29 2k62A7 LYS 35 HD2 0.11 -0.08 0.02 -0.04 1.69 1.70 2k62A7 LYS 35 HD3 0.14 -0.11 0.03 -0.04 1.68 1.70 2k62A7 LYS 35 HE2 0.11 0.29 -0.05 -0.04 2.99 3.30 2k62A7 LYS 35 HE3 0.08 -0.01 -0.02 -0.04 2.99 3.00 2k62A7 PRO 36 HA 0.06 0.18 0.82 -0.51 4.44 4.99 2k62A7 PRO 36 HB2 0.07 -0.01 0.03 -0.04 2.28 2.32 2k62A7 PRO 36 HB3 0.06 0.09 -0.08 -0.04 2.02 2.05 2k62A7 PRO 36 HG2 0.08 0.01 -0.15 -0.04 2.03 1.93 2k62A7 PRO 36 HG3 0.07 -0.03 -0.11 -0.04 2.03 1.92 2k62A7 PRO 36 HD2 0.09 0.12 0.10 -0.04 3.68 3.95 2k62A7 PRO 36 HD3 0.09 0.09 -0.26 -0.04 3.65 3.53 2k62A7 ILE 37 H 0.06 0.18 0.25 -0.55 8.25 8.19 2k62A7 ILE 37 HA 0.10 0.16 0.86 -0.75 4.18 4.55 2k62A7 ILE 37 HB 0.05 -0.03 0.08 -0.04 1.89 1.95 2k62A7 ILE 37 HG12 0.03 0.01 0.04 -0.04 1.49 1.53 2k62A7 ILE 37 HG13 0.05 0.00 0.03 -0.04 1.21 1.25 2k62A7 ILE 37 HG23 0.04 0.00 -0.06 -0.04 0.93 0.87 2k62A7 ILE 37 HD13 0.03 0.00 0.15 -0.04 0.88 1.02 2k62A7 VAL 38 H 0.15 0.78 0.39 -0.55 8.24 9.01 2k62A7 VAL 38 HA 0.13 0.13 0.77 -0.75 4.13 4.41 2k62A7 VAL 38 HB 0.30 -0.06 0.16 -0.04 2.12 2.48 2k62A7 VAL 38 HG13 0.22 -0.01 -0.20 -0.04 0.97 0.94 2k62A7 VAL 38 HG23 0.14 0.02 -0.10 -0.04 0.95 0.96 2k62A7 GLU 39 H 0.11 0.32 0.22 -0.55 8.60 8.70 2k62A7 GLU 39 HA 0.07 0.30 1.06 -0.75 4.29 4.97 2k62A7 GLU 39 HB2 0.05 -0.08 0.29 -0.04 2.09 2.32 2k62A7 GLU 39 HB3 0.03 0.01 0.07 -0.04 1.99 2.06 2k62A7 GLU 39 HG2 0.02 -0.00 -0.12 -0.04 2.34 2.20 2k62A7 GLU 39 HG3 0.05 0.12 -0.08 -0.04 2.34 2.39 2k62A7 ILE 40 H 0.18 0.63 0.25 -0.55 8.25 8.76 2k62A7 ILE 40 HA 0.19 0.15 0.82 -0.75 4.18 4.59 2k62A7 ILE 40 HB 0.36 -0.04 0.16 -0.04 1.89 2.34 2k62A7 ILE 40 HG12 0.30 -0.03 -0.17 -0.04 1.49 1.55 2k62A7 ILE 40 HG13 0.36 -0.02 -0.20 -0.04 1.21 1.31 2k62A7 ILE 40 HG23 0.44 -0.02 -0.28 -0.04 0.93 1.03 2k62A7 ILE 40 HD13 0.38 0.03 -0.13 -0.04 0.88 1.12 2k62A7 GLN 41 H 0.06 0.68 0.37 -0.55 8.47 9.02 2k62A7 GLN 41 HA -0.04 0.13 0.98 -0.75 4.36 4.67 2k62A7 GLN 41 HB2 -0.06 0.01 0.19 -0.04 2.15 2.26 2k62A7 GLN 41 HB3 -0.08 -0.00 -0.00 -0.04 2.02 1.90 2k62A7 GLN 41 HG2 -0.01 0.02 -0.16 -0.04 2.40 2.21 2k62A7 GLN 41 HG3 0.01 0.11 -0.11 -0.04 2.39 2.36 2k62A7 GLN 41 HE21 -0.01 -0.02 -0.04 -0.04 6.97 6.86 2k62A7 GLN 41 HE22 -0.00 0.03 -0.04 -0.04 7.69 7.63 2k62A7 GLN 42 H -0.18 0.21 0.16 -0.55 8.47 8.12 2k62A7 GLN 42 HA -1.19 0.18 0.96 -0.75 4.36 3.56 2k62A7 GLN 42 HB2 -0.45 -0.03 0.02 -0.04 2.15 1.65 2k62A7 GLN 42 HB3 -0.21 0.04 0.19 -0.04 2.02 2.00 2k62A7 GLN 42 HG2 -0.28 -0.29 -0.12 -0.04 2.40 1.67 2k62A7 GLN 42 HG3 -0.76 0.10 0.00 -0.04 2.39 1.69 2k62A7 GLN 42 HE21 0.11 0.06 0.02 -0.04 6.97 7.12 2k62A7 GLN 42 HE22 0.17 0.10 0.02 -0.04 7.69 7.94 2k62A7 LYS 43 H -0.47 0.71 0.27 -0.55 8.42 8.38 2k62A7 LYS 43 HA -0.13 0.20 0.82 -0.75 4.32 4.45 2k62A7 LYS 43 HB2 -0.12 0.00 0.07 -0.04 1.87 1.78 2k62A7 LYS 43 HB3 -0.08 -0.02 0.18 -0.04 1.79 1.83 2k62A7 LYS 43 HG2 -0.10 0.04 -0.15 -0.04 1.46 1.21 2k62A7 LYS 43 HG3 -0.17 0.00 -0.25 -0.04 1.46 1.00 2k62A7 LYS 43 HD2 -0.07 0.01 -0.13 -0.04 1.69 1.47 2k62A7 LYS 43 HD3 -0.07 -0.04 -0.14 -0.04 1.68 1.39 2k62A7 LYS 43 HE2 -0.05 -0.02 -0.01 -0.04 2.99 2.87 2k62A7 LYS 43 HE3 -0.05 0.02 -0.04 -0.04 2.99 2.88 2k62A7 GLY 44 H -0.21 0.10 -0.43 -0.55 8.43 7.35 2k62A7 GLY 44 HA2 -0.03 0.05 0.34 -0.51 4.01 3.86 2k62A7 GLY 44 HA3 -0.03 0.12 0.59 -0.51 4.01 4.18 2k62A7 ASP 45 H -0.01 0.41 0.16 -0.55 8.40 8.41 2k62A7 ASP 45 HA 0.07 0.17 0.76 -0.75 4.63 4.88 2k62A7 ASP 45 HB2 0.02 0.00 0.09 -0.04 2.71 2.78 2k62A7 ASP 45 HB3 0.01 0.01 0.08 -0.04 2.70 2.76 2k62A7 ASP 46 H -0.03 0.12 -0.17 -0.55 8.40 7.78 2k62A7 ASP 46 HA 0.04 0.24 0.97 -0.75 4.63 5.13 2k62A7 ASP 46 HB2 -0.01 -0.02 -0.05 -0.04 2.71 2.59 2k62A7 ASP 46 HB3 -0.06 -0.01 -0.09 -0.04 2.70 2.50 2k62A7 PHE 47 H -0.14 0.53 0.26 -0.55 8.34 8.44 2k62A7 PHE 47 HA -0.21 0.18 1.05 -0.75 4.62 4.88 2k62A7 PHE 47 HB2 -1.14 0.08 0.05 -0.04 3.15 2.10 2k62A7 PHE 47 HB3 -0.85 -0.00 -0.10 -0.04 3.06 2.07 2k62A7 PHE 47 HD2 -0.06 -0.01 -0.36 -0.04 7.28 6.82 2k62A7 PHE 47 HE2 0.06 0.02 -0.18 -0.04 7.38 7.24 2k62A7 PHE 47 HZ 0.02 -0.03 -0.06 -0.04 7.32 7.20 2k62A7 VAL 48 H -0.13 0.61 0.31 -0.55 8.24 8.48 2k62A7 VAL 48 HA -0.04 0.38 1.23 -0.75 4.13 4.94 2k62A7 VAL 48 HB -0.01 0.01 -0.02 -0.04 2.12 2.06 2k62A7 VAL 48 HG13 -0.04 -0.00 -0.14 -0.04 0.97 0.75 2k62A7 VAL 48 HG23 -0.07 -0.02 0.01 -0.04 0.95 0.83 2k62A7 VAL 49 H 0.08 0.73 0.31 -0.55 8.24 8.81 2k62A7 VAL 49 HA 0.10 0.40 1.10 -0.75 4.13 4.98 2k62A7 VAL 49 HB 0.20 -0.07 0.07 -0.04 2.12 2.28 2k62A7 VAL 49 HG13 0.16 0.02 -0.23 -0.04 0.97 0.88 2k62A7 VAL 49 HG23 0.26 -0.01 -0.25 -0.04 0.95 0.90 2k62A7 THR 50 H 0.07 0.33 0.27 -0.55 8.28 8.41 2k62A7 THR 50 HA 0.06 0.20 1.19 -0.75 4.39 5.09 2k62A7 THR 50 HB 0.04 0.00 0.14 -0.04 4.32 4.47 2k62A7 THR 50 HG23 0.03 -0.00 -0.14 -0.04 1.22 1.07 2k62A7 SER 51 H 0.06 0.85 0.42 -0.55 8.46 9.24 2k62A7 SER 51 HA 0.07 0.20 0.95 -0.75 4.49 4.95 2k62A7 SER 51 HB2 0.05 -0.10 0.15 -0.04 3.95 4.02 2k62A7 SER 51 HB3 0.07 0.03 -0.00 -0.04 3.93 3.98 2k62A7 LYS 52 H 0.05 0.28 0.16 -0.55 8.42 8.35 2k62A7 LYS 52 HA 0.03 0.18 1.10 -0.75 4.32 4.88 2k62A7 LYS 52 HB2 0.03 0.05 0.07 -0.04 1.87 1.97 2k62A7 LYS 52 HB3 0.03 -0.01 0.02 -0.04 1.79 1.79 2k62A7 LYS 52 HG2 0.04 0.03 0.26 -0.04 1.46 1.75 2k62A7 LYS 52 HG3 0.03 -0.03 0.20 -0.04 1.46 1.62 2k62A7 LYS 52 HD2 0.03 0.01 0.07 -0.04 1.69 1.75 2k62A7 LYS 52 HD3 0.02 0.00 0.03 -0.04 1.68 1.69 2k62A7 LYS 52 HE2 0.03 -0.02 -0.11 -0.04 2.99 2.84 2k62A7 LYS 52 HE3 0.04 0.12 -0.07 -0.04 2.99 3.03 2k62A7 THR 53 H 0.03 0.55 0.32 -0.55 8.28 8.63 2k62A7 THR 53 HA 0.03 0.24 0.94 -0.75 4.39 4.85 2k62A7 THR 53 HB 0.03 0.07 0.11 -0.04 4.32 4.49 2k62A7 THR 53 HG23 0.05 0.00 -0.18 -0.04 1.22 1.05 2k62A7 PRO 54 HA 0.01 0.14 0.50 -0.51 4.44 4.58 2k62A7 PRO 54 HB2 0.01 0.02 0.19 -0.04 2.28 2.46 2k62A7 PRO 54 HB3 0.01 0.03 0.11 -0.04 2.02 2.13 2k62A7 PRO 54 HG2 0.01 0.03 -0.05 -0.04 2.03 1.98 2k62A7 PRO 54 HG3 0.02 0.09 0.07 -0.04 2.03 2.17 2k62A7 PRO 54 HD2 0.02 0.06 0.14 -0.04 3.68 3.86 2k62A7 PRO 54 HD3 0.03 0.18 0.19 -0.04 3.65 4.01 2k62A7 ARG 55 H 0.01 0.04 -0.88 -0.55 8.46 7.07 2k62A7 ARG 55 HA 0.00 0.16 0.67 -0.75 4.34 4.41 2k62A7 ARG 55 HB2 -0.00 0.05 -0.25 -0.04 1.90 1.66 2k62A7 ARG 55 HB3 0.00 -0.06 -0.06 -0.04 1.80 1.64 2k62A7 ARG 55 HG2 -0.01 -0.04 -0.06 -0.04 1.67 1.51 2k62A7 ARG 55 HG3 -0.01 0.01 -0.15 -0.04 1.67 1.48 2k62A7 ARG 55 HD2 -0.00 0.01 0.11 -0.04 3.22 3.29 2k62A7 ARG 55 HD3 -0.01 0.08 0.08 -0.04 3.22 3.33 2k62A7 GLN 56 H 0.01 -0.00 0.07 -0.55 8.47 8.00 2k62A7 GLN 56 HA 0.01 0.24 0.88 -0.75 4.36 4.74 2k62A7 GLN 56 HB2 0.01 -0.09 -0.03 -0.04 2.15 2.00 2k62A7 GLN 56 HB3 0.02 -0.02 0.01 -0.04 2.02 1.99 2k62A7 GLN 56 HG2 0.00 0.03 -0.19 -0.04 2.40 2.20 2k62A7 GLN 56 HG3 0.00 0.13 -0.02 -0.04 2.39 2.46 2k62A7 GLN 56 HE21 0.01 -0.05 0.06 -0.04 6.97 6.95 2k62A7 GLN 56 HE22 0.01 0.46 0.12 -0.04 7.69 8.24 2k62A7 THR 57 H 0.02 0.27 0.20 -0.55 8.28 8.22 2k62A7 THR 57 HA 0.03 0.37 0.95 -0.75 4.39 4.98 2k62A7 THR 57 HB 0.02 -0.03 0.05 -0.04 4.32 4.32 2k62A7 THR 57 HG23 0.02 -0.00 0.01 -0.04 1.22 1.21 2k62A7 VAL 58 H 0.04 0.50 0.33 -0.55 8.24 8.56 2k62A7 VAL 58 HA 0.03 0.13 0.58 -0.75 4.13 4.12 2k62A7 VAL 58 HB 0.03 0.04 -0.39 -0.04 2.12 1.76 2k62A7 VAL 58 HG13 0.05 -0.06 -0.23 -0.04 0.97 0.69 2k62A7 VAL 58 HG23 0.03 0.03 -0.22 -0.04 0.95 0.76 2k62A7 THR 59 H 0.04 0.23 0.12 -0.55 8.28 8.12 2k62A7 THR 59 HA 0.05 0.19 1.10 -0.75 4.39 4.99 2k62A7 THR 59 HB 0.03 -0.01 0.12 -0.04 4.32 4.42 2k62A7 THR 59 HG23 0.03 0.01 -0.20 -0.04 1.22 1.02 2k62A7 ASN 60 H 0.08 0.85 0.38 -0.55 8.53 9.30 2k62A7 ASN 60 HA 0.09 0.12 0.90 -0.75 4.76 5.12 2k62A7 ASN 60 HB2 0.12 0.04 0.10 -0.04 2.88 3.09 2k62A7 ASN 60 HB3 0.20 -0.06 0.11 -0.04 2.79 3.00 2k62A7 ASN 60 HD21 0.07 -0.19 -0.02 -0.04 7.03 6.85 2k62A7 ASN 60 HD22 0.08 0.53 -0.05 -0.04 7.74 8.25 2k62A7 SER 61 H 0.12 0.26 0.26 -0.55 8.46 8.56 2k62A7 SER 61 HA -0.04 0.43 1.02 -0.75 4.49 5.15 2k62A7 SER 61 HB2 0.04 -0.03 0.16 -0.04 3.95 4.07 2k62A7 SER 61 HB3 -0.01 -0.01 0.03 -0.04 3.93 3.91 2k62A7 PHE 62 H -0.38 0.54 0.28 -0.55 8.34 8.23 2k62A7 PHE 62 HA 0.04 0.11 1.02 -0.75 4.62 5.03 2k62A7 PHE 62 HB2 0.01 0.09 -0.05 -0.04 3.15 3.16 2k62A7 PHE 62 HB3 0.01 0.01 -0.14 -0.04 3.06 2.91 2k62A7 PHE 62 HD2 -0.01 -0.00 -0.29 -0.04 7.28 6.93 2k62A7 PHE 62 HE2 -0.17 0.00 -0.19 -0.04 7.38 6.97 2k62A7 PHE 62 HZ -0.08 0.02 -0.17 -0.04 7.32 7.05 2k62A7 THR 63 H 0.15 0.16 0.10 -0.55 8.28 8.15 2k62A7 THR 63 HA 0.08 0.16 0.93 -0.75 4.39 4.80 2k62A7 THR 63 HB 0.07 -0.01 -0.07 -0.04 4.32 4.27 2k62A7 THR 63 HG23 0.05 0.03 -0.06 -0.04 1.22 1.20 2k62A7 LEU 64 H 0.12 0.59 0.29 -0.55 8.37 8.82 2k62A7 LEU 64 HA 0.11 0.14 0.55 -0.75 4.35 4.39 2k62A7 LEU 64 HB2 0.09 0.05 0.20 -0.04 1.64 1.93 2k62A7 LEU 64 HB3 0.06 -0.15 0.07 -0.04 1.64 1.58 2k62A7 LEU 64 HG 0.20 0.09 -0.05 -0.04 1.64 1.84 2k62A7 LEU 64 HD13 0.22 0.00 -0.04 -0.04 0.93 1.08 2k62A7 LEU 64 HD23 -0.07 -0.02 -0.23 -0.04 0.89 0.53 2k62A7 GLY 65 H 0.09 0.80 0.52 -0.55 8.43 9.30 2k62A7 GLY 65 HA2 0.08 -0.03 0.37 -0.51 4.01 3.91 2k62A7 GLY 65 HA3 0.05 0.07 0.52 -0.51 4.01 4.14 2k62A7 LYS 66 H 0.07 0.26 -0.55 -0.55 8.42 7.64 2k62A7 LYS 66 HA 0.04 0.18 0.89 -0.75 4.32 4.67 2k62A7 LYS 66 HB2 0.05 -0.01 -0.14 -0.04 1.87 1.73 2k62A7 LYS 66 HB3 0.04 -0.06 0.11 -0.04 1.79 1.84 2k62A7 LYS 66 HG2 0.03 -0.01 -0.04 -0.04 1.46 1.40 2k62A7 LYS 66 HG3 0.04 0.04 -0.41 -0.04 1.46 1.08 2k62A7 LYS 66 HD2 0.03 -0.01 -0.04 -0.04 1.69 1.62 2k62A7 LYS 66 HD3 0.04 0.00 -0.08 -0.04 1.68 1.60 2k62A7 LYS 66 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 2k62A7 LYS 66 HE3 0.03 0.03 0.00 -0.04 2.99 3.01 2k62A7 GLU 67 H 0.03 0.11 0.14 -0.55 8.60 8.34 2k62A7 GLU 67 HA 0.04 0.06 0.58 -0.75 4.29 4.22 2k62A7 GLU 67 HB2 0.02 -0.00 0.10 -0.04 2.09 2.17 2k62A7 GLU 67 HB3 0.03 -0.01 0.10 -0.04 1.99 2.06 2k62A7 GLU 67 HG2 0.02 0.06 -0.12 -0.04 2.34 2.26 2k62A7 GLU 67 HG3 0.02 -0.01 -0.02 -0.04 2.34 2.29 2k62A7 ALA 68 H 0.04 0.24 0.22 -0.55 8.40 8.35 2k62A7 ALA 68 HA 0.06 0.19 0.91 -0.75 4.34 4.74 2k62A7 ALA 68 HB3 0.13 0.02 0.17 -0.04 1.41 1.69 2k62A7 ASP 69 H 0.07 0.28 0.26 -0.55 8.40 8.46 2k62A7 ASP 69 HA 0.03 0.16 0.97 -0.75 4.63 5.04 2k62A7 ASP 69 HB2 0.03 0.01 0.03 -0.04 2.71 2.74 2k62A7 ASP 69 HB3 0.04 0.03 0.24 -0.04 2.70 2.97 2k62A7 ILE 70 H 0.01 0.68 0.30 -0.55 8.25 8.69 2k62A7 ILE 70 HA 0.05 0.14 0.81 -0.75 4.18 4.42 2k62A7 ILE 70 HB -0.05 -0.02 0.26 -0.04 1.89 2.05 2k62A7 ILE 70 HG12 -0.02 -0.00 -0.01 -0.04 1.49 1.42 2k62A7 ILE 70 HG13 -0.08 -0.03 -0.08 -0.04 1.21 0.97 2k62A7 ILE 70 HG23 -0.05 -0.01 -0.15 -0.04 0.93 0.69 2k62A7 ILE 70 HD13 -0.04 0.03 -0.20 -0.04 0.88 0.63 2k62A7 THR 71 H 0.05 0.32 0.10 -0.55 8.28 8.21 2k62A7 THR 71 HA 0.02 0.11 0.76 -0.75 4.39 4.53 2k62A7 THR 71 HB 0.04 0.02 0.08 -0.04 4.32 4.43 2k62A7 THR 71 HG23 0.02 0.02 -0.06 -0.04 1.22 1.16 2k62A7 THR 72 H 0.02 0.47 0.25 -0.55 8.28 8.47 2k62A7 THR 72 HA 0.04 0.24 0.88 -0.75 4.39 4.79 2k62A7 THR 72 HB 0.03 0.08 -0.08 -0.04 4.32 4.31 2k62A7 THR 72 HG23 0.02 0.04 -0.00 -0.04 1.22 1.24 2k62A7 MET 73 H 0.04 0.20 0.08 -0.55 8.47 8.25 2k62A7 MET 73 HA 0.02 0.17 0.32 -0.75 4.52 4.28 2k62A7 MET 73 HB2 0.03 -0.01 -0.06 -0.04 2.15 2.07 2k62A7 MET 73 HB3 0.04 0.02 0.00 -0.04 2.03 2.05 2k62A7 MET 73 HG2 0.03 -0.08 -0.06 -0.04 2.63 2.48 2k62A7 MET 73 HG3 0.02 0.05 -0.36 -0.04 2.56 2.22 2k62A7 MET 73 HE3 0.06 0.00 -0.07 -0.04 2.10 2.05 2k62A7 ASP 74 H 0.02 -0.01 -0.40 -0.55 8.40 7.46 2k62A7 ASP 74 HA -0.00 0.12 0.32 -0.75 4.63 4.31 2k62A7 ASP 74 HB2 0.01 -0.03 -0.05 -0.04 2.71 2.60 2k62A7 ASP 74 HB3 -0.00 0.04 0.04 -0.04 2.70 2.74 2k62A7 GLY 75 H 0.01 0.28 -0.58 -0.55 8.43 7.60 2k62A7 GLY 75 HA2 0.01 0.04 0.23 -0.51 4.01 3.78 2k62A7 GLY 75 HA3 0.00 0.16 0.60 -0.51 4.01 4.26 2k62A7 LYS 76 H 0.01 0.00 -0.15 -0.55 8.42 7.73 2k62A7 LYS 76 HA 0.01 0.22 0.91 -0.75 4.32 4.70 2k62A7 LYS 76 HB2 0.01 0.04 0.07 -0.04 1.87 1.95 2k62A7 LYS 76 HB3 0.01 0.08 -0.10 -0.04 1.79 1.73 2k62A7 LYS 76 HG2 0.02 -0.07 -0.15 -0.04 1.46 1.21 2k62A7 LYS 76 HG3 0.02 0.03 -0.11 -0.04 1.46 1.36 2k62A7 LYS 76 HD2 0.01 -0.13 -0.56 -0.04 1.69 0.96 2k62A7 LYS 76 HD3 0.02 -0.05 -0.13 -0.04 1.68 1.48 2k62A7 LYS 76 HE2 0.01 -0.03 -0.07 -0.04 2.99 2.86 2k62A7 LYS 76 HE3 0.01 0.03 -0.18 -0.04 2.99 2.81 2k62A7 LYS 77 H 0.00 0.19 0.18 -0.55 8.42 8.24 2k62A7 LYS 77 HA 0.00 0.34 1.08 -0.75 4.32 4.99 2k62A7 LYS 77 HB2 0.01 -0.02 -0.07 -0.04 1.87 1.75 2k62A7 LYS 77 HB3 0.01 0.01 -0.10 -0.04 1.79 1.67 2k62A7 LYS 77 HG2 0.00 -0.03 0.08 -0.04 1.46 1.47 2k62A7 LYS 77 HG3 0.00 -0.01 -0.19 -0.04 1.46 1.22 2k62A7 LYS 77 HD2 0.01 0.01 -0.04 -0.04 1.69 1.62 2k62A7 LYS 77 HD3 0.01 0.00 -0.07 -0.04 1.68 1.58 2k62A7 LYS 77 HE2 0.01 0.02 -0.04 -0.04 2.99 2.94 2k62A7 LYS 77 HE3 0.01 -0.01 -0.08 -0.04 2.99 2.86 2k62A7 LEU 78 H -0.02 0.47 0.26 -0.55 8.37 8.54 2k62A7 LEU 78 HA -0.03 0.14 0.75 -0.75 4.35 4.45 2k62A7 LEU 78 HB2 -0.08 0.04 -0.22 -0.04 1.64 1.35 2k62A7 LEU 78 HB3 -0.11 -0.02 0.00 -0.04 1.64 1.47 2k62A7 LEU 78 HG -0.09 -0.00 -0.16 -0.04 1.64 1.35 2k62A7 LEU 78 HD13 -0.05 -0.00 0.08 -0.04 0.93 0.92 2k62A7 LEU 78 HD23 -0.29 -0.01 -0.09 -0.04 0.89 0.46 2k62A7 LYS 79 H -0.02 0.20 0.11 -0.55 8.42 8.15 2k62A7 LYS 79 HA 0.00 0.26 1.09 -0.75 4.32 4.92 2k62A7 LYS 79 HB2 0.00 -0.00 0.05 -0.04 1.87 1.88 2k62A7 LYS 79 HB3 0.00 -0.02 0.22 -0.04 1.79 1.95 2k62A7 LYS 79 HG2 0.01 -0.04 -0.10 -0.04 1.46 1.29 2k62A7 LYS 79 HG3 0.01 0.15 0.03 -0.04 1.46 1.61 2k62A7 LYS 79 HD2 0.01 -0.02 0.02 -0.04 1.69 1.67 2k62A7 LYS 79 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 2k62A7 LYS 79 HE2 0.02 0.06 -0.06 -0.04 2.99 2.96 2k62A7 LYS 79 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 2k62A7 CYS 80 H -0.01 0.27 0.10 -0.55 8.50 8.31 2k62A7 CYS 80 HA 0.01 0.19 0.96 -0.75 4.58 4.99 2k62A7 CYS 80 HB2 -0.01 0.01 -0.16 -0.04 2.97 2.77 2k62A7 CYS 80 HB3 0.06 0.05 -0.06 -0.04 2.97 2.98 2k62A7 THR 81 H 0.02 0.18 0.16 -0.55 8.28 8.09 2k62A7 THR 81 HA 0.03 0.19 0.80 -0.75 4.39 4.66 2k62A7 THR 81 HB 0.06 0.05 -0.10 -0.04 4.32 4.28 2k62A7 THR 81 HG23 0.03 0.02 -0.19 -0.04 1.22 1.04 2k62A7 VAL 82 H 0.02 0.32 0.22 -0.55 8.24 8.26 2k62A7 VAL 82 HA -0.10 0.33 1.01 -0.75 4.13 4.61 2k62A7 VAL 82 HB -0.20 -0.02 -0.23 -0.04 2.12 1.63 2k62A7 VAL 82 HG13 -0.06 -0.01 -0.14 -0.04 0.97 0.72 2k62A7 VAL 82 HG23 -0.26 0.02 -0.26 -0.04 0.95 0.41 2k62A7 HIS 83 H -0.39 0.59 0.28 -0.55 8.41 8.35 2k62A7 HIS 83 HA -0.01 0.01 1.00 -0.75 4.63 4.88 2k62A7 HIS 83 HB2 -0.02 0.01 -0.01 -0.04 3.26 3.21 2k62A7 HIS 83 HB3 -0.01 0.04 -0.06 -0.04 3.20 3.13 2k62A7 HIS 83 HD2 -0.03 -0.04 -0.15 -0.04 6.97 6.70 2k62A7 HIS 83 HE1 -0.03 -0.03 -0.11 -0.04 7.75 7.53 2k62A7 LEU 84 H 0.06 0.16 0.06 -0.55 8.37 8.10 2k62A7 LEU 84 HA -0.11 0.23 0.49 -0.75 4.35 4.21 2k62A7 LEU 84 HB2 -0.05 0.01 -0.01 -0.04 1.64 1.55 2k62A7 LEU 84 HB3 -0.00 0.01 0.17 -0.04 1.64 1.78 2k62A7 LEU 84 HG -0.14 -0.24 -0.26 -0.04 1.64 0.96 2k62A7 LEU 84 HD13 -0.28 0.04 -0.18 -0.04 0.93 0.46 2k62A7 LEU 84 HD23 0.00 0.02 -0.03 -0.04 0.89 0.84 2k62A7 ALA 85 H -0.05 0.85 0.20 -0.55 8.40 8.86 2k62A7 ALA 85 HA 0.03 0.12 0.81 -0.75 4.34 4.55 2k62A7 ALA 85 HB3 0.09 0.02 0.11 -0.04 1.41 1.60 2k62A7 ASN 86 H -0.01 0.29 0.11 -0.55 8.53 8.38 2k62A7 ASN 86 HA -0.02 0.06 0.31 -0.75 4.76 4.36 2k62A7 ASN 86 HB2 -0.00 -0.04 -0.10 -0.04 2.88 2.70 2k62A7 ASN 86 HB3 -0.00 0.14 0.11 -0.04 2.79 3.00 2k62A7 ASN 86 HD21 0.02 0.00 0.06 -0.04 7.03 7.07 2k62A7 ASN 86 HD22 0.02 0.00 0.05 -0.04 7.74 7.77 2k62A7 GLY 87 H -0.12 0.03 -0.73 -0.55 8.43 7.07 2k62A7 GLY 87 HA2 -0.40 -0.02 0.16 -0.51 4.01 3.23 2k62A7 GLY 87 HA3 -0.46 0.27 0.67 -0.51 4.01 3.98 2k62A7 LYS 88 H -0.13 0.48 -0.51 -0.55 8.42 7.71 2k62A7 LYS 88 HA -0.01 0.05 0.49 -0.75 4.32 4.09 2k62A7 LYS 88 HB2 0.01 0.06 0.09 -0.04 1.87 1.98 2k62A7 LYS 88 HB3 -0.04 0.03 0.18 -0.04 1.79 1.92 2k62A7 LYS 88 HG2 -0.05 -0.05 -0.15 -0.04 1.46 1.17 2k62A7 LYS 88 HG3 0.01 -0.01 0.08 -0.04 1.46 1.49 2k62A7 LYS 88 HD2 -0.04 -0.02 0.12 -0.04 1.69 1.70 2k62A7 LYS 88 HD3 0.01 0.04 0.09 -0.04 1.68 1.77 2k62A7 LYS 88 HE2 -0.02 -0.01 0.03 -0.04 2.99 2.95 2k62A7 LYS 88 HE3 -0.02 0.03 0.04 -0.04 2.99 3.00 2k62A7 LEU 89 H -0.02 0.16 0.10 -0.55 8.37 8.07 2k62A7 LEU 89 HA -0.18 0.20 0.63 -0.75 4.35 4.25 2k62A7 LEU 89 HB2 0.05 -0.01 0.10 -0.04 1.64 1.73 2k62A7 LEU 89 HB3 -0.17 -0.01 -0.08 -0.04 1.64 1.34 2k62A7 LEU 89 HG -0.14 0.11 -0.08 -0.04 1.64 1.48 2k62A7 LEU 89 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.69 2k62A7 LEU 89 HD23 -0.22 -0.01 -0.26 -0.04 0.89 0.36 2k62A7 VAL 90 H -0.35 0.48 0.33 -0.55 8.24 8.15 2k62A7 VAL 90 HA -0.15 0.28 0.91 -0.75 4.13 4.41 2k62A7 VAL 90 HB -0.48 -0.04 0.09 -0.04 2.12 1.66 2k62A7 VAL 90 HG13 -0.06 0.01 0.05 -0.04 0.97 0.92 2k62A7 VAL 90 HG23 -0.08 0.04 -0.02 -0.04 0.95 0.85 2k62A7 THR 91 H -0.15 0.34 0.32 -0.55 8.28 8.25 2k62A7 THR 91 HA -0.08 0.17 0.64 -0.75 4.39 4.37 2k62A7 THR 91 HB -0.15 0.01 -0.25 -0.04 4.32 3.90 2k62A7 THR 91 HG23 -0.13 -0.00 -0.24 -0.04 1.22 0.81 2k62A7 LYS 92 H -0.01 0.29 0.22 -0.55 8.42 8.37 2k62A7 LYS 92 HA -0.10 0.21 0.84 -0.75 4.32 4.53 2k62A7 LYS 92 HB2 -0.03 -0.01 -0.23 -0.04 1.87 1.55 2k62A7 LYS 92 HB3 -0.00 -0.02 0.03 -0.04 1.79 1.75 2k62A7 LYS 92 HG2 -0.03 0.14 0.07 -0.04 1.46 1.60 2k62A7 LYS 92 HG3 -0.06 -0.00 0.13 -0.04 1.46 1.49 2k62A7 LYS 92 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.57 2k62A7 LYS 92 HD3 -0.02 0.01 -0.01 -0.04 1.68 1.62 2k62A7 LYS 92 HE2 -0.03 0.00 -0.02 -0.04 2.99 2.90 2k62A7 LYS 92 HE3 -0.01 -0.03 -0.06 -0.04 2.99 2.85 2k62A7 SER 93 H -0.01 0.46 0.28 -0.55 8.46 8.65 2k62A7 SER 93 HA 0.04 0.19 0.73 -0.75 4.49 4.69 2k62A7 SER 93 HB2 0.20 -0.05 0.06 -0.04 3.95 4.11 2k62A7 SER 93 HB3 0.07 -0.12 0.21 -0.04 3.93 4.05 2k62A7 GLU 94 H 0.04 0.14 0.16 -0.55 8.60 8.39 2k62A7 GLU 94 HA 0.01 0.11 0.43 -0.75 4.29 4.09 2k62A7 GLU 94 HB2 0.02 0.07 0.05 -0.04 2.09 2.18 2k62A7 GLU 94 HB3 0.02 0.03 0.15 -0.04 1.99 2.14 2k62A7 GLU 94 HG2 0.03 -0.30 0.13 -0.04 2.34 2.15 2k62A7 GLU 94 HG3 0.02 0.07 0.04 -0.04 2.34 2.43 2k62A7 LYS 95 H 0.05 0.03 -0.11 -0.55 8.42 7.84 2k62A7 LYS 95 HA 0.01 0.23 0.67 -0.75 4.32 4.47 2k62A7 LYS 95 HB2 0.03 -0.09 -0.04 -0.04 1.87 1.73 2k62A7 LYS 95 HB3 0.03 0.02 0.21 -0.04 1.79 2.01 2k62A7 LYS 95 HG2 0.01 0.06 0.07 -0.04 1.46 1.56 2k62A7 LYS 95 HG3 0.01 0.15 0.05 -0.04 1.46 1.63 2k62A7 LYS 95 HD2 0.03 -0.02 0.00 -0.04 1.69 1.67 2k62A7 LYS 95 HD3 0.02 0.01 -0.01 -0.04 1.68 1.66 2k62A7 LYS 95 HE2 0.01 0.06 -0.08 -0.04 2.99 2.94 2k62A7 LYS 95 HE3 0.02 -0.11 -0.15 -0.04 2.99 2.71 2k62A7 PHE 96 H 0.06 0.20 -0.28 -0.55 8.34 7.77 2k62A7 PHE 96 HA -0.19 0.26 0.94 -0.75 4.62 4.88 2k62A7 PHE 96 HB2 -0.15 0.06 -0.11 -0.04 3.15 2.91 2k62A7 PHE 96 HB3 -0.10 -0.14 0.01 -0.04 3.06 2.78 2k62A7 PHE 96 HD2 -0.32 0.18 -0.03 -0.04 7.28 7.07 2k62A7 PHE 96 HE2 -0.36 -0.02 -0.14 -0.04 7.38 6.82 2k62A7 PHE 96 HZ -0.22 -0.00 -0.15 -0.04 7.32 6.91 2k62A7 SER 97 H -0.50 0.16 0.22 -0.55 8.46 7.80 2k62A7 SER 97 HA -0.43 0.25 0.87 -0.75 4.49 4.43 2k62A7 SER 97 HB2 -0.24 -0.02 -0.09 -0.04 3.95 3.56 2k62A7 SER 97 HB3 -0.21 0.06 0.07 -0.04 3.93 3.81 2k62A7 HIS 98 H -0.31 0.30 0.16 -0.55 8.41 8.02 2k62A7 HIS 98 HA -0.33 0.49 1.01 -0.75 4.63 5.04 2k62A7 HIS 98 HB2 -0.57 -0.03 -0.16 -0.04 3.26 2.45 2k62A7 HIS 98 HB3 -0.36 -0.05 0.05 -0.04 3.20 2.80 2k62A7 HIS 98 HD2 -0.07 -0.04 -0.09 -0.04 6.97 6.73 2k62A7 HIS 98 HE1 -0.10 -0.08 -0.13 -0.04 7.75 7.40 2k62A7 GLU 99 H -0.43 0.33 0.31 -0.55 8.60 8.26 2k62A7 GLU 99 HA -0.24 0.20 0.92 -0.75 4.29 4.42 2k62A7 GLU 99 HB2 -0.19 -0.01 0.00 -0.04 2.09 1.85 2k62A7 GLU 99 HB3 -0.21 -0.07 0.02 -0.04 1.99 1.69 2k62A7 GLU 99 HG2 -0.12 -0.00 -0.04 -0.04 2.34 2.14 2k62A7 GLU 99 HG3 -0.13 0.04 -0.04 -0.04 2.34 2.16 2k62A7 GLN 100 H -0.16 0.21 0.15 -0.55 8.47 8.13 2k62A7 GLN 100 HA -0.21 0.24 0.99 -0.75 4.36 4.63 2k62A7 GLN 100 HB2 -0.03 -0.06 -0.00 -0.04 2.15 2.02 2k62A7 GLN 100 HB3 0.12 0.01 -0.04 -0.04 2.02 2.06 2k62A7 GLN 100 HG2 -0.11 0.09 -0.14 -0.04 2.40 2.21 2k62A7 GLN 100 HG3 0.16 -0.04 -0.05 -0.04 2.39 2.41 2k62A7 GLN 100 HE21 -0.14 -0.01 -0.23 -0.04 6.97 6.55 2k62A7 GLN 100 HE22 0.04 -0.02 -0.12 -0.04 7.69 7.56 2k62A7 GLU 101 H -0.18 0.79 0.26 -0.55 8.60 8.93 2k62A7 GLU 101 HA -0.09 0.17 0.94 -0.75 4.29 4.56 2k62A7 GLU 101 HB2 -0.13 0.05 0.06 -0.04 2.09 2.03 2k62A7 GLU 101 HB3 -0.13 -0.04 0.10 -0.04 1.99 1.89 2k62A7 GLU 101 HG2 -0.08 0.02 -0.14 -0.04 2.34 2.09 2k62A7 GLU 101 HG3 -0.08 -0.03 -0.07 -0.04 2.34 2.12 2k62A7 VAL 102 H -0.14 0.23 0.03 -0.55 8.24 7.81 2k62A7 VAL 102 HA -0.38 0.37 1.15 -0.75 4.13 4.51 2k62A7 VAL 102 HB -0.86 -0.01 0.08 -0.04 2.12 1.30 2k62A7 VAL 102 HG13 -0.54 0.01 -0.21 -0.04 0.97 0.19 2k62A7 VAL 102 HG23 -1.02 -0.02 -0.15 -0.04 0.95 -0.28 2k62A7 LYS 103 H -0.17 0.72 0.20 -0.55 8.42 8.62 2k62A7 LYS 103 HA -0.04 0.14 0.83 -0.75 4.32 4.51 2k62A7 LYS 103 HB2 -0.06 -0.01 0.05 -0.04 1.87 1.81 2k62A7 LYS 103 HB3 -0.02 -0.02 0.01 -0.04 1.79 1.71 2k62A7 LYS 103 HG2 -0.02 0.03 0.03 -0.04 1.46 1.47 2k62A7 LYS 103 HG3 -0.05 0.02 -0.45 -0.04 1.46 0.94 2k62A7 LYS 103 HD2 -0.04 -0.02 -0.10 -0.04 1.69 1.48 2k62A7 LYS 103 HD3 -0.02 -0.02 -0.04 -0.04 1.68 1.56 2k62A7 LYS 103 HE2 -0.02 -0.02 -0.03 -0.04 2.99 2.88 2k62A7 LYS 103 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.94 2k62A7 GLY 104 H 0.01 0.22 0.08 -0.55 8.43 8.19 2k62A7 GLY 104 HA2 0.05 0.06 0.40 -0.51 4.01 4.01 2k62A7 GLY 104 HA3 0.04 0.02 0.49 -0.51 4.01 4.04 2k62A7 ASN 105 H 0.06 0.23 0.40 -0.55 8.53 8.67 2k62A7 ASN 105 HA 0.34 0.24 0.82 -0.75 4.76 5.40 2k62A7 ASN 105 HB2 0.10 -0.01 0.11 -0.04 2.88 3.03 2k62A7 ASN 105 HB3 0.17 -0.08 0.25 -0.04 2.79 3.09 2k62A7 ASN 105 HD21 0.05 0.02 -0.07 -0.04 7.03 6.99 2k62A7 ASN 105 HD22 0.06 -0.06 -0.10 -0.04 7.74 7.60 2k62A7 GLU 106 H 0.01 0.45 0.12 -0.55 8.60 8.63 2k62A7 GLU 106 HA 0.01 0.24 1.15 -0.75 4.29 4.93 2k62A7 GLU 106 HB2 -0.04 0.05 0.21 -0.04 2.09 2.27 2k62A7 GLU 106 HB3 -0.07 0.02 0.04 -0.04 1.99 1.93 2k62A7 GLU 106 HG2 0.01 -0.01 0.02 -0.04 2.34 2.33 2k62A7 GLU 106 HG3 0.06 0.06 0.01 -0.04 2.34 2.43 2k62A7 MET 107 H -0.24 0.77 0.33 -0.55 8.47 8.78 2k62A7 MET 107 HA -0.44 0.29 1.02 -0.75 4.52 4.63 2k62A7 MET 107 HB2 -1.30 0.03 -0.18 -0.04 2.15 0.67 2k62A7 MET 107 HB3 -0.96 -0.03 -0.04 -0.04 2.03 0.96 2k62A7 MET 107 HG2 -0.43 -0.05 -0.36 -0.04 2.63 1.76 2k62A7 MET 107 HG3 -0.52 -0.00 -0.19 -0.04 2.56 1.80 2k62A7 MET 107 HE3 -0.12 -0.02 -0.18 -0.04 2.10 1.74 2k62A7 VAL 108 H -0.25 0.71 0.33 -0.55 8.24 8.47 2k62A7 VAL 108 HA -0.19 0.38 1.17 -0.75 4.13 4.73 2k62A7 VAL 108 HB -0.15 -0.05 0.08 -0.04 2.12 1.97 2k62A7 VAL 108 HG13 -0.13 0.01 -0.12 -0.04 0.97 0.69 2k62A7 VAL 108 HG23 -0.14 -0.01 -0.10 -0.04 0.95 0.65 2k62A7 GLU 109 H -0.15 0.51 0.31 -0.55 8.60 8.72 2k62A7 GLU 109 HA -0.23 0.15 0.75 -0.75 4.29 4.21 2k62A7 GLU 109 HB2 -0.30 0.11 0.10 -0.04 2.09 1.96 2k62A7 GLU 109 HB3 -0.18 -0.01 -0.03 -0.04 1.99 1.73 2k62A7 GLU 109 HG2 -0.09 0.01 -0.08 -0.04 2.34 2.14 2k62A7 GLU 109 HG3 -0.04 -0.08 -0.09 -0.04 2.34 2.09 2k62A7 THR 110 H -0.28 0.29 0.24 -0.55 8.28 7.98 2k62A7 THR 110 HA -0.11 0.41 1.14 -0.75 4.39 5.08 2k62A7 THR 110 HB -0.14 0.01 -0.10 -0.04 4.32 4.05 2k62A7 THR 110 HG23 -0.10 0.01 -0.15 -0.04 1.22 0.94 2k62A7 ILE 111 H -0.06 0.64 0.31 -0.55 8.25 8.59 2k62A7 ILE 111 HA -0.19 0.41 1.14 -0.75 4.18 4.78 2k62A7 ILE 111 HB -0.12 0.01 -0.10 -0.04 1.89 1.65 2k62A7 ILE 111 HG12 0.06 0.00 -0.15 -0.04 1.49 1.37 2k62A7 ILE 111 HG13 0.16 -0.09 0.09 -0.04 1.21 1.33 2k62A7 ILE 111 HG23 0.23 0.01 -0.10 -0.04 0.93 1.03 2k62A7 ILE 111 HD13 0.33 0.00 -0.13 -0.04 0.88 1.04 2k62A7 THR 112 H -0.34 0.38 0.28 -0.55 8.28 8.05 2k62A7 THR 112 HA -0.12 0.13 0.80 -0.75 4.39 4.44 2k62A7 THR 112 HB -0.11 -0.02 0.20 -0.04 4.32 4.35 2k62A7 THR 112 HG23 -0.06 0.02 -0.22 -0.04 1.22 0.93 2k62A7 PHE 113 H -0.05 0.75 0.26 -0.55 8.34 8.75 2k62A7 PHE 113 HA -0.10 0.12 0.95 -0.75 4.62 4.84 2k62A7 PHE 113 HB2 -0.91 0.02 0.09 -0.04 3.15 2.31 2k62A7 PHE 113 HB3 -1.51 0.00 0.04 -0.04 3.06 1.55 2k62A7 PHE 113 HD2 -0.23 0.01 -0.09 -0.04 7.28 6.93 2k62A7 PHE 113 HE2 -0.07 -0.02 -0.10 -0.04 7.38 7.14 2k62A7 PHE 113 HZ -0.03 -0.03 -0.11 -0.04 7.32 7.11 2k62A7 GLY 114 H 0.10 0.23 0.05 -0.55 8.43 8.25 2k62A7 GLY 114 HA2 0.11 0.03 0.38 -0.51 4.01 4.03 2k62A7 GLY 114 HA3 0.19 0.12 0.63 -0.51 4.01 4.43 2k62A7 GLY 115 H 0.13 0.25 0.27 -0.55 8.43 8.54 2k62A7 GLY 115 HA2 0.04 0.20 0.84 -0.51 4.01 4.58 2k62A7 GLY 115 HA3 0.06 0.01 0.34 -0.51 4.01 3.90 2k62A7 VAL 116 H 0.09 0.34 -0.12 -0.55 8.24 8.00 2k62A7 VAL 116 HA 0.04 0.16 0.87 -0.75 4.13 4.45 2k62A7 VAL 116 HB 0.10 0.03 -0.18 -0.04 2.12 2.03 2k62A7 VAL 116 HG13 0.20 -0.01 -0.11 -0.04 0.97 1.00 2k62A7 VAL 116 HG23 0.08 0.00 -0.07 -0.04 0.95 0.92 2k62A7 THR 117 H 0.01 0.17 0.12 -0.55 8.28 8.03 2k62A7 THR 117 HA -0.03 0.25 1.06 -0.75 4.39 4.92 2k62A7 THR 117 HB -0.03 -0.02 -0.01 -0.04 4.32 4.21 2k62A7 THR 117 HG23 -0.08 0.01 -0.26 -0.04 1.22 0.84 2k62A7 LEU 118 H 0.01 0.81 0.36 -0.55 8.37 9.00 2k62A7 LEU 118 HA -0.01 0.17 0.78 -0.75 4.35 4.54 2k62A7 LEU 118 HB2 0.12 0.01 0.13 -0.04 1.64 1.86 2k62A7 LEU 118 HB3 0.01 0.00 -0.10 -0.04 1.64 1.51 2k62A7 LEU 118 HG 0.05 -0.01 -0.09 -0.04 1.64 1.54 2k62A7 LEU 118 HD13 0.06 0.03 -0.18 -0.04 0.93 0.80 2k62A7 LEU 118 HD23 0.01 -0.03 -0.19 -0.04 0.89 0.64 2k62A7 ILE 119 H -0.07 0.28 0.11 -0.55 8.25 8.03 2k62A7 ILE 119 HA -0.08 0.29 1.06 -0.75 4.18 4.69 2k62A7 ILE 119 HB -0.08 -0.05 0.17 -0.04 1.89 1.89 2k62A7 ILE 119 HG12 -0.07 0.02 -0.20 -0.04 1.49 1.20 2k62A7 ILE 119 HG13 -0.05 -0.01 -0.33 -0.04 1.21 0.78 2k62A7 ILE 119 HG23 -0.09 0.00 -0.15 -0.04 0.93 0.65 2k62A7 ILE 119 HD13 -0.05 -0.01 -0.06 -0.04 0.88 0.73 2k62A7 ARG 120 H -0.09 0.62 0.21 -0.55 8.46 8.65 2k62A7 ARG 120 HA -0.15 0.11 0.80 -0.75 4.34 4.35 2k62A7 ARG 120 HB2 -0.05 -0.01 -0.05 -0.04 1.90 1.75 2k62A7 ARG 120 HB3 -0.08 -0.03 0.05 -0.04 1.80 1.70 2k62A7 ARG 120 HG2 -0.02 -0.00 -0.14 -0.04 1.67 1.47 2k62A7 ARG 120 HG3 -0.09 0.02 -0.27 -0.04 1.67 1.29 2k62A7 ARG 120 HD2 -0.14 -0.03 -0.10 -0.04 3.22 2.91 2k62A7 ARG 120 HD3 -0.08 -0.02 -0.14 -0.04 3.22 2.94 2k62A7 ARG 121 H -0.24 0.23 0.11 -0.55 8.46 8.01 2k62A7 ARG 121 HA -0.24 0.12 0.94 -0.75 4.34 4.40 2k62A7 ARG 121 HB2 -0.50 0.24 0.33 -0.04 1.90 1.93 2k62A7 ARG 121 HB3 -0.44 -0.00 0.08 -0.04 1.80 1.39 2k62A7 ARG 121 HG2 -0.15 -0.00 -0.02 -0.04 1.67 1.45 2k62A7 ARG 121 HG3 -0.17 -0.03 -0.12 -0.04 1.67 1.32 2k62A7 ARG 121 HD2 -0.09 -0.05 0.08 -0.04 3.22 3.11 2k62A7 ARG 121 HD3 -0.11 0.04 0.07 -0.04 3.22 3.18 2k62A7 SER 122 H -0.22 0.62 0.40 -0.55 8.46 8.71 2k62A7 SER 122 HA -0.08 0.42 1.26 -0.75 4.49 5.34 2k62A7 SER 122 HB2 -0.13 -0.06 -0.05 -0.04 3.95 3.67 2k62A7 SER 122 HB3 0.06 -0.06 -0.24 -0.04 3.93 3.64 2k62A7 LYS 123 H 0.31 0.51 0.44 -0.55 8.42 9.11 2k62A7 LYS 123 HA 0.33 0.29 0.89 -0.75 4.32 5.07 2k62A7 LYS 123 HB2 0.21 0.06 0.20 -0.04 1.87 2.30 2k62A7 LYS 123 HB3 0.33 -0.01 -0.15 -0.04 1.79 1.91 2k62A7 LYS 123 HG2 0.31 -0.02 -0.10 -0.04 1.46 1.61 2k62A7 LYS 123 HG3 0.18 0.00 -0.44 -0.04 1.46 1.16 2k62A7 LYS 123 HD2 0.14 0.00 -0.01 -0.04 1.69 1.78 2k62A7 LYS 123 HD3 0.08 -0.01 -0.05 -0.04 1.68 1.66 2k62A7 LYS 123 HE2 0.07 0.10 -0.06 -0.04 2.99 3.05 2k62A7 LYS 123 HE3 0.04 -0.02 -0.02 -0.04 2.99 2.96 2k62A7 ARG 124 H 0.26 0.28 0.22 -0.55 8.46 8.68 2k62A7 ARG 124 HA 0.00 0.17 0.71 -0.75 4.34 4.47 2k62A7 ARG 124 HB2 -0.06 0.02 0.19 -0.04 1.90 2.00 2k62A7 ARG 124 HB3 -0.18 0.05 0.18 -0.04 1.80 1.81 2k62A7 ARG 124 HG2 0.15 0.08 0.23 -0.04 1.67 2.09 2k62A7 ARG 124 HG3 0.11 -0.06 0.26 -0.04 1.67 1.93 2k62A7 ARG 124 HD2 -0.02 0.02 0.10 -0.04 3.22 3.28 2k62A7 ARG 124 HD3 0.04 -0.02 0.10 -0.04 3.22 3.29 2k62A7 VAL 125 H 0.09 0.29 0.30 -0.55 8.24 8.37 2k62A7 VAL 125 HA 0.06 0.03 0.17 -0.75 4.13 3.64 2k62A7 VAL 125 HB -0.01 0.08 -0.01 -0.04 2.12 2.15 2k62A7 VAL 125 HG13 0.01 -0.00 0.01 -0.04 0.97 0.95 2k62A7 VAL 125 HG23 -0.04 -0.01 -0.14 -0.04 0.95 0.72