============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 15 1.000 -3.701 12.628 5.281 -99.200 -91.000 TYR 18 0.840 -4.123 7.527 -0.958 -99.200 -91.000 PHE 19 1.000 -1.131 5.798 2.771 -99.200 -91.000 PHE 23 1.000 -3.849 -4.296 2.745 -99.200 -91.000 PHE 27 1.000 -5.616 -8.294 1.635 -99.200 -91.000 PHE 35 1.000 -5.744 -15.607 -2.268 -99.200 -91.000 HIS 41 0.900 0.450 -14.295 7.687 -99.200 -91.000 TYR 46 0.840 -0.152 -5.056 2.513 -99.200 -91.000 TYR 49 0.840 -2.657 -4.117 -2.092 -99.200 -91.000 HIS 52 0.900 -2.811 -6.058 -9.185 -99.200 -91.000 HIS 55 0.900 5.522 -1.823 -3.154 -99.200 -91.000 HIS 57 0.900 5.864 -4.375 3.814 -99.200 -91.000 TRP 63 1.040 -4.936 -1.479 10.515 -99.200 -91.000 TRP6 63 1.020 -5.064 -1.554 8.167 -99.200 -91.000 PHE 69 1.000 -5.988 -5.525 6.724 -99.200 -91.000 TRP 72 1.040 -10.531 -0.866 10.434 -99.200 -91.000 TRP6 72 1.020 -10.324 -1.215 8.113 -99.200 -91.000 TRP 88 1.040 -2.105 -12.602 13.565 -99.200 -91.000 TRP6 88 1.020 -4.350 -12.348 14.164 -99.200 -91.000 TYR 89 0.840 -2.042 -19.198 8.128 -99.200 -91.000 TYR 92 0.840 -14.304 -11.427 1.855 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2v1nA10 GLY 1 H -0.00 0.00 -0.03 -0.55 8.43 7.86 2v1nA10 GLY 1 HA2 -0.00 -0.03 0.14 -0.51 4.01 3.61 2v1nA10 GLY 1 HA3 0.00 0.01 0.19 -0.51 4.01 3.69 2v1nA10 GLN 2 H -0.00 0.13 0.01 -0.55 8.47 8.06 2v1nA10 GLN 2 HA -0.00 0.14 0.49 -0.75 4.36 4.24 2v1nA10 GLN 2 HB2 -0.00 -0.02 0.19 -0.04 2.15 2.28 2v1nA10 GLN 2 HB3 -0.00 0.04 0.12 -0.04 2.02 2.14 2v1nA10 GLN 2 HG2 -0.00 0.05 0.01 -0.04 2.40 2.42 2v1nA10 GLN 2 HG3 -0.00 -0.01 0.01 -0.04 2.39 2.35 2v1nA10 GLN 2 HE21 -0.00 0.02 0.01 -0.04 6.97 6.95 2v1nA10 GLN 2 HE22 -0.00 0.01 -0.00 -0.04 7.69 7.66 2v1nA10 ARG 3 H -0.00 0.16 0.06 -0.55 8.46 8.13 2v1nA10 ARG 3 HA -0.00 0.10 0.57 -0.75 4.34 4.25 2v1nA10 ARG 3 HB2 -0.00 -0.01 0.17 -0.04 1.90 2.01 2v1nA10 ARG 3 HB3 -0.00 0.04 0.20 -0.04 1.80 2.00 2v1nA10 ARG 3 HG2 -0.00 0.03 0.04 -0.04 1.67 1.70 2v1nA10 ARG 3 HG3 -0.00 0.01 0.04 -0.04 1.67 1.68 2v1nA10 ARG 3 HD2 -0.00 0.04 -0.03 -0.04 3.22 3.19 2v1nA10 ARG 3 HD3 -0.00 -0.01 -0.21 -0.04 3.22 2.95 2v1nA10 GLN 4 H -0.00 0.55 -0.28 -0.55 8.47 8.19 2v1nA10 GLN 4 HA -0.00 0.14 0.51 -0.75 4.36 4.25 2v1nA10 GLN 4 HB2 -0.00 -0.01 0.01 -0.04 2.15 2.11 2v1nA10 GLN 4 HB3 -0.00 -0.04 -0.16 -0.04 2.02 1.78 2v1nA10 GLN 4 HG2 -0.00 0.29 -0.16 -0.04 2.40 2.48 2v1nA10 GLN 4 HG3 -0.00 -0.07 -0.25 -0.04 2.39 2.02 2v1nA10 GLN 4 HE21 0.00 0.56 -0.00 -0.04 6.97 7.49 2v1nA10 GLN 4 HE22 0.00 -0.06 0.01 -0.04 7.69 7.60 2v1nA10 LEU 5 H -0.01 0.11 -0.11 -0.55 8.37 7.83 2v1nA10 LEU 5 HA -0.01 0.03 0.35 -0.75 4.35 3.97 2v1nA10 LEU 5 HB2 -0.01 0.15 -0.07 -0.04 1.64 1.67 2v1nA10 LEU 5 HB3 -0.01 -0.01 -0.04 -0.04 1.64 1.53 2v1nA10 LEU 5 HG -0.01 0.03 -0.08 -0.04 1.64 1.54 2v1nA10 LEU 5 HD13 -0.01 -0.00 -0.00 -0.04 0.93 0.88 2v1nA10 LEU 5 HD23 -0.00 -0.01 -0.26 -0.04 0.89 0.58 2v1nA10 LEU 6 H -0.01 0.73 0.09 -0.55 8.37 8.64 2v1nA10 LEU 6 HA -0.01 0.09 0.35 -0.75 4.35 4.03 2v1nA10 LEU 6 HB2 -0.01 -0.00 -0.31 -0.04 1.64 1.28 2v1nA10 LEU 6 HB3 -0.01 0.07 -0.02 -0.04 1.64 1.64 2v1nA10 LEU 6 HG -0.02 -0.11 -0.08 -0.04 1.64 1.39 2v1nA10 LEU 6 HD13 -0.01 0.01 0.03 -0.04 0.93 0.92 2v1nA10 LEU 6 HD23 -0.00 0.02 -0.06 -0.04 0.89 0.80 2v1nA10 LEU 7 H -0.02 0.64 0.32 -0.55 8.37 8.77 2v1nA10 LEU 7 HA -0.03 0.08 0.37 -0.75 4.35 4.02 2v1nA10 LEU 7 HB2 -0.02 0.07 0.10 -0.04 1.64 1.75 2v1nA10 LEU 7 HB3 -0.02 -0.01 0.08 -0.04 1.64 1.65 2v1nA10 LEU 7 HG -0.01 -0.05 -0.38 -0.04 1.64 1.15 2v1nA10 LEU 7 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 2v1nA10 LEU 7 HD23 -0.02 0.02 -0.02 -0.04 0.89 0.83 2v1nA10 ALA 8 H -0.02 0.30 -0.69 -0.55 8.40 7.44 2v1nA10 ALA 8 HA -0.04 0.06 0.22 -0.75 4.34 3.82 2v1nA10 ALA 8 HB3 -0.08 0.05 0.00 -0.04 1.41 1.34 2v1nA10 SER 9 H -0.02 0.19 -0.08 -0.55 8.46 8.00 2v1nA10 SER 9 HA -0.01 0.03 0.26 -0.75 4.49 4.01 2v1nA10 SER 9 HB2 -0.00 0.04 0.16 -0.04 3.95 4.11 2v1nA10 SER 9 HB3 0.00 0.02 0.13 -0.04 3.93 4.03 2v1nA10 GLU 10 H 0.00 0.70 0.33 -0.55 8.60 9.08 2v1nA10 GLU 10 HA 0.01 0.14 0.63 -0.75 4.29 4.33 2v1nA10 GLU 10 HB2 0.09 0.02 0.02 -0.04 2.09 2.18 2v1nA10 GLU 10 HB3 0.12 -0.00 0.05 -0.04 1.99 2.12 2v1nA10 GLU 10 HG2 0.02 0.02 -0.08 -0.04 2.34 2.26 2v1nA10 GLU 10 HG3 0.01 -0.02 -0.16 -0.04 2.34 2.12 2v1nA10 ASN 11 H 0.06 0.09 0.06 -0.55 8.53 8.19 2v1nA10 ASN 11 HA 0.06 0.05 0.30 -0.75 4.76 4.41 2v1nA10 ASN 11 HB2 0.36 0.19 0.29 -0.04 2.88 3.68 2v1nA10 ASN 11 HB3 0.08 -0.07 0.12 -0.04 2.79 2.88 2v1nA10 ASN 11 HD21 0.14 -0.01 -0.04 -0.04 7.03 7.07 2v1nA10 ASN 11 HD22 0.07 0.03 -0.08 -0.04 7.74 7.71 2v1nA10 PRO 12 HA 0.27 0.10 0.03 -0.51 4.44 4.33 2v1nA10 PRO 12 HB2 -0.21 0.14 -0.36 -0.04 2.28 1.81 2v1nA10 PRO 12 HB3 -0.32 0.05 -0.00 -0.04 2.02 1.71 2v1nA10 PRO 12 HG2 -0.11 0.07 0.07 -0.04 2.03 2.02 2v1nA10 PRO 12 HG3 -0.15 0.11 0.09 -0.04 2.03 2.04 2v1nA10 PRO 12 HD2 -0.02 0.11 0.20 -0.04 3.68 3.93 2v1nA10 PRO 12 HD3 -0.02 0.10 0.23 -0.04 3.65 3.92 2v1nA10 GLN 13 H -0.05 0.13 -0.19 -0.55 8.47 7.80 2v1nA10 GLN 13 HA -0.17 0.08 0.37 -0.75 4.36 3.88 2v1nA10 GLN 13 HB2 -0.08 -0.01 -0.01 -0.04 2.15 2.01 2v1nA10 GLN 13 HB3 -0.10 0.02 0.11 -0.04 2.02 2.00 2v1nA10 GLN 13 HG2 -0.14 0.08 0.09 -0.04 2.40 2.40 2v1nA10 GLN 13 HG3 -0.10 -0.01 0.03 -0.04 2.39 2.27 2v1nA10 GLN 13 HE21 -0.09 -0.00 0.05 -0.04 6.97 6.89 2v1nA10 GLN 13 HE22 -0.05 -0.01 0.01 -0.04 7.69 7.60 2v1nA10 GLN 14 H -0.06 0.18 -0.39 -0.55 8.47 7.65 2v1nA10 GLN 14 HA -0.20 0.15 0.75 -0.75 4.36 4.30 2v1nA10 GLN 14 HB2 -0.16 -0.01 0.03 -0.04 2.15 1.97 2v1nA10 GLN 14 HB3 -0.16 0.13 0.17 -0.04 2.02 2.13 2v1nA10 GLN 14 HG2 -1.17 0.02 -0.11 -0.04 2.40 1.10 2v1nA10 GLN 14 HG3 -0.40 -0.02 0.03 -0.04 2.39 1.96 2v1nA10 GLN 14 HE21 -0.17 -0.01 0.01 -0.04 6.97 6.76 2v1nA10 GLN 14 HE22 -0.07 0.01 0.00 -0.04 7.69 7.59 2v1nA10 PHE 15 H 0.02 0.74 0.20 -0.55 8.34 8.75 2v1nA10 PHE 15 HA -0.03 0.06 0.53 -0.75 4.62 4.42 2v1nA10 PHE 15 HB2 0.17 0.10 -0.03 -0.04 3.15 3.35 2v1nA10 PHE 15 HB3 -0.04 -0.11 0.16 -0.04 3.06 3.04 2v1nA10 PHE 15 HD2 -0.02 0.05 0.11 -0.04 7.28 7.38 2v1nA10 PHE 15 HE2 -0.04 0.00 0.03 -0.04 7.38 7.33 2v1nA10 PHE 15 HZ -0.04 -0.00 0.01 -0.04 7.32 7.25 2v1nA10 MET 16 H -0.09 0.29 -0.87 -0.55 8.47 7.25 2v1nA10 MET 16 HA -0.18 0.09 0.41 -0.75 4.52 4.08 2v1nA10 MET 16 HB2 -0.32 0.05 -0.01 -0.04 2.15 1.83 2v1nA10 MET 16 HB3 -0.20 0.09 -0.01 -0.04 2.03 1.87 2v1nA10 MET 16 HG2 -0.36 0.07 -0.05 -0.04 2.63 2.24 2v1nA10 MET 16 HG3 -0.33 0.01 -0.30 -0.04 2.56 1.89 2v1nA10 MET 16 HE3 -1.17 0.02 -0.05 -0.04 2.10 0.86 2v1nA10 ASP 17 H -0.06 0.22 -0.15 -0.55 8.40 7.86 2v1nA10 ASP 17 HA -0.00 0.05 0.31 -0.75 4.63 4.24 2v1nA10 ASP 17 HB2 -0.01 0.05 0.10 -0.04 2.71 2.81 2v1nA10 ASP 17 HB3 0.05 0.01 0.04 -0.04 2.70 2.76 2v1nA10 TYR 18 H 0.05 0.21 -0.25 -0.55 8.29 7.76 2v1nA10 TYR 18 HA -0.14 0.07 0.53 -0.75 4.56 4.27 2v1nA10 TYR 18 HB2 -0.20 -0.01 0.09 -0.04 3.06 2.90 2v1nA10 TYR 18 HB3 -0.68 0.14 0.16 -0.04 2.98 2.56 2v1nA10 TYR 18 HD2 -0.77 0.01 0.01 -0.04 7.15 6.36 2v1nA10 TYR 18 HE2 -0.11 0.01 -0.02 -0.04 6.85 6.70 2v1nA10 PHE 19 H -0.39 0.43 0.05 -0.55 8.34 7.88 2v1nA10 PHE 19 HA -0.24 0.04 0.45 -0.75 4.62 4.12 2v1nA10 PHE 19 HB2 -0.22 0.05 0.21 -0.04 3.15 3.14 2v1nA10 PHE 19 HB3 -0.18 -0.05 0.06 -0.04 3.06 2.86 2v1nA10 PHE 19 HD2 -0.10 0.03 0.00 -0.04 7.28 7.17 2v1nA10 PHE 19 HE2 0.09 -0.03 -0.07 -0.04 7.38 7.33 2v1nA10 PHE 19 HZ 0.10 -0.02 -0.02 -0.04 7.32 7.34 2v1nA10 SER 20 H -0.12 0.85 0.05 -0.55 8.46 8.69 2v1nA10 SER 20 HA 0.17 -0.02 0.58 -0.75 4.49 4.47 2v1nA10 SER 20 HB2 -0.13 -0.05 0.05 -0.04 3.95 3.78 2v1nA10 SER 20 HB3 -0.58 -0.08 0.08 -0.04 3.93 3.30 2v1nA10 GLU 21 H -0.00 0.36 -0.31 -0.55 8.60 8.10 2v1nA10 GLU 21 HA 0.11 0.00 0.64 -0.75 4.29 4.29 2v1nA10 GLU 21 HB2 0.07 0.08 0.19 -0.04 2.09 2.39 2v1nA10 GLU 21 HB3 0.01 0.07 0.23 -0.04 1.99 2.27 2v1nA10 GLU 21 HG2 0.05 -0.02 -0.11 -0.04 2.34 2.21 2v1nA10 GLU 21 HG3 0.08 -0.05 0.06 -0.04 2.34 2.39 2v1nA10 GLU 22 H -0.14 0.75 0.06 -0.55 8.60 8.72 2v1nA10 GLU 22 HA 0.00 0.00 0.41 -0.75 4.29 3.95 2v1nA10 GLU 22 HB2 -0.44 0.05 0.13 -0.04 2.09 1.80 2v1nA10 GLU 22 HB3 -0.15 0.01 0.12 -0.04 1.99 1.93 2v1nA10 GLU 22 HG2 -0.11 0.01 -0.03 -0.04 2.34 2.17 2v1nA10 GLU 22 HG3 0.11 0.04 -0.07 -0.04 2.34 2.37 2v1nA10 PHE 23 H 0.12 0.53 -0.13 -0.55 8.34 8.32 2v1nA10 PHE 23 HA -0.48 0.07 0.58 -0.75 4.62 4.03 2v1nA10 PHE 23 HB2 -0.22 0.01 0.07 -0.04 3.15 2.96 2v1nA10 PHE 23 HB3 -0.18 0.07 0.17 -0.04 3.06 3.08 2v1nA10 PHE 23 HD2 -1.33 0.04 -0.02 -0.04 7.28 5.93 2v1nA10 PHE 23 HE2 -2.14 -0.03 -0.05 -0.04 7.38 5.12 2v1nA10 PHE 23 HZ -1.41 -0.06 -0.06 -0.04 7.32 5.75 2v1nA10 ARG 24 H 0.05 0.57 -0.10 -0.55 8.46 8.43 2v1nA10 ARG 24 HA -0.22 -0.06 0.36 -0.75 4.34 3.68 2v1nA10 ARG 24 HB2 0.35 -0.05 0.16 -0.04 1.90 2.32 2v1nA10 ARG 24 HB3 0.23 0.11 0.21 -0.04 1.80 2.32 2v1nA10 ARG 24 HG2 0.09 -0.05 -0.01 -0.04 1.67 1.66 2v1nA10 ARG 24 HG3 0.22 -0.06 0.03 -0.04 1.67 1.81 2v1nA10 ARG 24 HD2 0.05 0.01 -0.04 -0.04 3.22 3.20 2v1nA10 ARG 24 HD3 0.26 -0.03 -0.03 -0.04 3.22 3.39 2v1nA10 ASN 25 H 0.06 0.71 0.03 -0.55 8.53 8.78 2v1nA10 ASN 25 HA 0.04 0.02 0.45 -0.75 4.76 4.51 2v1nA10 ASN 25 HB2 0.06 0.13 0.18 -0.04 2.88 3.21 2v1nA10 ASN 25 HB3 0.05 -0.00 0.07 -0.04 2.79 2.87 2v1nA10 ASN 25 HD21 0.03 -0.01 -0.00 -0.04 7.03 7.01 2v1nA10 ASN 25 HD22 0.03 0.01 -0.11 -0.04 7.74 7.64 2v1nA10 ASP 26 H 0.08 0.32 -0.15 -0.55 8.40 8.11 2v1nA10 ASP 26 HA 0.05 0.04 0.54 -0.75 4.63 4.50 2v1nA10 ASP 26 HB2 0.31 0.28 0.18 -0.04 2.71 3.44 2v1nA10 ASP 26 HB3 0.07 -0.01 0.07 -0.04 2.70 2.78 2v1nA10 PHE 27 H 0.05 0.59 -0.06 -0.55 8.34 8.37 2v1nA10 PHE 27 HA 0.01 0.04 0.56 -0.75 4.62 4.48 2v1nA10 PHE 27 HB2 -0.88 0.01 0.10 -0.04 3.15 2.34 2v1nA10 PHE 27 HB3 -0.67 0.06 0.06 -0.04 3.06 2.46 2v1nA10 PHE 27 HD2 -0.23 0.06 -0.19 -0.04 7.28 6.89 2v1nA10 PHE 27 HE2 -0.00 -0.03 -0.15 -0.04 7.38 7.16 2v1nA10 PHE 27 HZ 0.08 -0.11 -0.03 -0.04 7.32 7.21 2v1nA10 LEU 28 H 0.04 0.60 -0.08 -0.55 8.37 8.38 2v1nA10 LEU 28 HA -0.15 -0.02 0.47 -0.75 4.35 3.90 2v1nA10 LEU 28 HB2 -0.00 0.26 0.20 -0.04 1.64 2.06 2v1nA10 LEU 28 HB3 -0.09 -0.04 0.03 -0.04 1.64 1.50 2v1nA10 LEU 28 HG -0.08 -0.03 0.08 -0.04 1.64 1.57 2v1nA10 LEU 28 HD13 0.07 -0.01 0.01 -0.04 0.93 0.96 2v1nA10 LEU 28 HD23 0.12 -0.01 0.01 -0.04 0.89 0.97 2v1nA10 GLU 29 H -0.01 0.36 -0.22 -0.55 8.60 8.18 2v1nA10 GLU 29 HA -0.03 0.02 0.42 -0.75 4.29 3.94 2v1nA10 GLU 29 HB2 0.01 0.02 0.16 -0.04 2.09 2.24 2v1nA10 GLU 29 HB3 0.02 0.05 0.27 -0.04 1.99 2.29 2v1nA10 GLU 29 HG2 0.01 0.09 -0.00 -0.04 2.34 2.39 2v1nA10 GLU 29 HG3 0.01 -0.03 -0.10 -0.04 2.34 2.17 2v1nA10 LEU 30 H 0.00 0.42 -0.19 -0.55 8.37 8.05 2v1nA10 LEU 30 HA 0.03 0.04 0.50 -0.75 4.35 4.17 2v1nA10 LEU 30 HB2 0.10 -0.00 0.07 -0.04 1.64 1.77 2v1nA10 LEU 30 HB3 0.05 0.26 0.19 -0.04 1.64 2.11 2v1nA10 LEU 30 HG -0.03 0.03 -0.11 -0.04 1.64 1.50 2v1nA10 LEU 30 HD13 0.19 0.03 -0.06 -0.04 0.93 1.04 2v1nA10 LEU 30 HD23 0.22 -0.03 -0.12 -0.04 0.89 0.92 2v1nA10 LEU 31 H -0.14 0.55 -0.11 -0.55 8.37 8.13 2v1nA10 LEU 31 HA -0.03 -0.05 0.44 -0.75 4.35 3.95 2v1nA10 LEU 31 HB2 -0.50 0.09 0.12 -0.04 1.64 1.30 2v1nA10 LEU 31 HB3 -0.34 0.08 0.25 -0.04 1.64 1.59 2v1nA10 LEU 31 HG -0.28 0.07 -0.09 -0.04 1.64 1.30 2v1nA10 LEU 31 HD13 -0.05 -0.02 -0.04 -0.04 0.93 0.77 2v1nA10 LEU 31 HD23 -0.38 -0.04 -0.03 -0.04 0.89 0.41 2v1nA10 ARG 32 H -0.22 0.65 -0.05 -0.55 8.46 8.29 2v1nA10 ARG 32 HA -0.08 0.09 0.49 -0.75 4.34 4.08 2v1nA10 ARG 32 HB2 -0.12 0.20 0.21 -0.04 1.90 2.14 2v1nA10 ARG 32 HB3 -0.04 -0.02 -0.04 -0.04 1.80 1.65 2v1nA10 ARG 32 HG2 -0.01 -0.13 -0.02 -0.04 1.67 1.47 2v1nA10 ARG 32 HG3 -0.71 -0.00 0.05 -0.04 1.67 0.96 2v1nA10 ARG 32 HD2 0.03 -0.10 -0.01 -0.04 3.22 3.09 2v1nA10 ARG 32 HD3 -0.19 0.06 -0.11 -0.04 3.22 2.95 2v1nA10 ARG 33 H -0.01 0.32 -0.12 -0.55 8.46 8.09 2v1nA10 ARG 33 HA -0.00 0.06 0.67 -0.75 4.34 4.32 2v1nA10 ARG 33 HB2 -0.01 -0.01 -0.19 -0.04 1.90 1.66 2v1nA10 ARG 33 HB3 0.00 0.12 -0.03 -0.04 1.80 1.85 2v1nA10 ARG 33 HG2 0.01 0.23 0.14 -0.04 1.67 2.00 2v1nA10 ARG 33 HG3 0.02 -0.06 0.12 -0.04 1.67 1.71 2v1nA10 ARG 33 HD2 0.03 -0.06 -0.03 -0.04 3.22 3.12 2v1nA10 ARG 33 HD3 0.01 -0.00 -0.01 -0.04 3.22 3.18 2v1nA10 ARG 34 H 0.03 0.71 0.08 -0.55 8.46 8.72 2v1nA10 ARG 34 HA -0.13 0.11 0.38 -0.75 4.34 3.95 2v1nA10 ARG 34 HB2 -0.17 0.01 0.04 -0.04 1.90 1.75 2v1nA10 ARG 34 HB3 -0.39 -0.06 0.04 -0.04 1.80 1.35 2v1nA10 ARG 34 HG2 0.03 0.07 0.12 -0.04 1.67 1.85 2v1nA10 ARG 34 HG3 0.01 -0.04 0.01 -0.04 1.67 1.60 2v1nA10 ARG 34 HD2 -0.06 -0.02 -0.01 -0.04 3.22 3.08 2v1nA10 ARG 34 HD3 -0.05 0.03 -0.17 -0.04 3.22 3.00 2v1nA10 PHE 35 H 0.16 0.27 -0.07 -0.55 8.34 8.15 2v1nA10 PHE 35 HA 0.00 0.11 0.70 -0.75 4.62 4.67 2v1nA10 PHE 35 HB2 -0.05 0.15 0.05 -0.04 3.15 3.26 2v1nA10 PHE 35 HB3 0.01 -0.09 -0.07 -0.04 3.06 2.87 2v1nA10 PHE 35 HD2 -0.04 0.06 -0.05 -0.04 7.28 7.21 2v1nA10 PHE 35 HE2 -0.02 -0.01 -0.12 -0.04 7.38 7.19 2v1nA10 PHE 35 HZ -0.00 -0.01 -0.13 -0.04 7.32 7.13 2v1nA10 GLY 36 H 0.10 0.37 -0.02 -0.55 8.43 8.34 2v1nA10 GLY 36 HA2 0.09 -0.02 0.58 -0.51 4.01 4.15 2v1nA10 GLY 36 HA3 0.08 0.19 0.45 -0.51 4.01 4.22 2v1nA10 THR 37 H 0.12 0.36 0.09 -0.55 8.28 8.30 2v1nA10 THR 37 HA 0.26 -0.01 0.49 -0.75 4.39 4.37 2v1nA10 THR 37 HB 0.03 0.15 0.01 -0.04 4.32 4.47 2v1nA10 THR 37 HG23 0.02 -0.08 -0.36 -0.04 1.22 0.76 2v1nA10 LYS 38 H 0.15 0.18 -0.02 -0.55 8.42 8.18 2v1nA10 LYS 38 HA 0.09 0.06 0.70 -0.75 4.32 4.42 2v1nA10 LYS 38 HB2 0.14 0.25 -0.18 -0.04 1.87 2.04 2v1nA10 LYS 38 HB3 0.22 -0.06 -0.12 -0.04 1.79 1.79 2v1nA10 LYS 38 HG2 0.10 -0.11 0.06 -0.04 1.46 1.47 2v1nA10 LYS 38 HG3 0.09 0.02 0.05 -0.04 1.46 1.58 2v1nA10 LYS 38 HD2 0.20 -0.00 -0.22 -0.04 1.69 1.62 2v1nA10 LYS 38 HD3 0.11 -0.03 -0.02 -0.04 1.68 1.70 2v1nA10 LYS 38 HE2 0.08 0.01 -0.00 -0.04 2.99 3.04 2v1nA10 LYS 38 HE3 0.20 0.04 -0.02 -0.04 2.99 3.17 2v1nA10 ARG 39 H 0.08 0.14 0.10 -0.55 8.46 8.22 2v1nA10 ARG 39 HA 0.11 0.22 0.39 -0.75 4.34 4.30 2v1nA10 ARG 39 HB2 0.10 -0.03 -0.11 -0.04 1.90 1.82 2v1nA10 ARG 39 HB3 0.05 0.01 -0.00 -0.04 1.80 1.82 2v1nA10 ARG 39 HG2 0.06 -0.01 0.03 -0.04 1.67 1.71 2v1nA10 ARG 39 HG3 0.01 -0.00 -0.02 -0.04 1.67 1.61 2v1nA10 ARG 39 HD2 0.03 0.03 0.06 -0.04 3.22 3.29 2v1nA10 ARG 39 HD3 0.06 -0.03 0.13 -0.04 3.22 3.35 2v1nA10 VAL 40 H 0.12 0.75 0.45 -0.55 8.24 9.01 2v1nA10 VAL 40 HA 0.27 0.07 0.64 -0.75 4.13 4.36 2v1nA10 VAL 40 HB 0.16 0.13 -0.23 -0.04 2.12 2.13 2v1nA10 VAL 40 HG13 -0.29 0.07 -0.07 -0.04 0.97 0.64 2v1nA10 VAL 40 HG23 0.07 0.01 -0.00 -0.04 0.95 0.98 2v1nA10 HIS 41 H 0.03 0.20 0.15 -0.55 8.41 8.24 2v1nA10 HIS 41 HA -0.30 0.35 0.94 -0.75 4.63 4.87 2v1nA10 HIS 41 HB2 -1.05 0.06 -0.06 -0.04 3.26 2.18 2v1nA10 HIS 41 HB3 -0.18 0.00 0.11 -0.04 3.20 3.08 2v1nA10 HIS 41 HD2 -0.02 0.21 0.05 -0.04 6.97 7.17 2v1nA10 HIS 41 HE1 0.17 0.00 0.13 -0.04 7.75 8.01 2v1nA10 ASN 42 H 0.39 0.43 0.32 -0.55 8.53 9.11 2v1nA10 ASN 42 HA 0.26 0.13 0.35 -0.75 4.76 4.74 2v1nA10 ASN 42 HB2 0.33 0.11 0.17 -0.04 2.88 3.46 2v1nA10 ASN 42 HB3 0.28 -0.05 0.11 -0.04 2.79 3.08 2v1nA10 ASN 42 HD21 0.75 0.03 -0.05 -0.04 7.03 7.72 2v1nA10 ASN 42 HD22 0.34 0.04 -0.02 -0.04 7.74 8.06 2v1nA10 ASN 43 H -0.53 0.10 -0.21 -0.55 8.53 7.35 2v1nA10 ASN 43 HA 0.08 0.06 0.53 -0.75 4.76 4.69 2v1nA10 ASN 43 HB2 -0.62 -0.07 0.12 -0.04 2.88 2.28 2v1nA10 ASN 43 HB3 -0.23 0.11 0.03 -0.04 2.79 2.66 2v1nA10 ASN 43 HD21 0.04 -0.06 0.02 -0.04 7.03 6.98 2v1nA10 ASN 43 HD22 0.04 0.05 0.03 -0.04 7.74 7.81 2v1nA10 ILE 44 H -0.05 0.30 -0.21 -0.55 8.25 7.74 2v1nA10 ILE 44 HA 0.07 0.10 0.51 -0.75 4.18 4.11 2v1nA10 ILE 44 HB 0.05 0.16 0.18 -0.04 1.89 2.23 2v1nA10 ILE 44 HG12 0.08 0.06 0.02 -0.04 1.49 1.61 2v1nA10 ILE 44 HG13 0.04 -0.14 -0.02 -0.04 1.21 1.05 2v1nA10 ILE 44 HG23 0.16 0.02 -0.08 -0.04 0.93 0.99 2v1nA10 ILE 44 HD13 0.12 -0.02 0.06 -0.04 0.88 1.00 2v1nA10 VAL 45 H 0.02 0.22 -0.08 -0.55 8.24 7.84 2v1nA10 VAL 45 HA -0.07 0.13 0.36 -0.75 4.13 3.80 2v1nA10 VAL 45 HB -0.24 -0.03 0.04 -0.04 2.12 1.85 2v1nA10 VAL 45 HG13 -0.60 0.06 -0.13 -0.04 0.97 0.25 2v1nA10 VAL 45 HG23 -0.94 0.02 -0.03 -0.04 0.95 -0.05 2v1nA10 TYR 46 H 0.39 0.69 -0.01 -0.55 8.29 8.81 2v1nA10 TYR 46 HA 0.64 0.05 0.49 -0.75 4.56 4.98 2v1nA10 TYR 46 HB2 0.23 0.13 0.15 -0.04 3.06 3.53 2v1nA10 TYR 46 HB3 0.14 0.01 0.09 -0.04 2.98 3.18 2v1nA10 TYR 46 HD2 0.11 0.01 -0.01 -0.04 7.15 7.23 2v1nA10 TYR 46 HE2 -0.54 0.05 -0.14 -0.04 6.85 6.18 2v1nA10 ASN 47 H 0.27 0.31 -0.17 -0.55 8.53 8.40 2v1nA10 ASN 47 HA 0.17 0.01 0.39 -0.75 4.76 4.58 2v1nA10 ASN 47 HB2 0.12 0.18 0.19 -0.04 2.88 3.33 2v1nA10 ASN 47 HB3 0.08 0.00 0.05 -0.04 2.79 2.89 2v1nA10 ASN 47 HD21 0.10 0.79 0.29 -0.04 7.03 8.16 2v1nA10 ASN 47 HD22 0.05 -0.15 0.05 -0.04 7.74 7.65 2v1nA10 GLU 48 H 0.22 0.09 -0.61 -0.55 8.60 7.76 2v1nA10 GLU 48 HA 0.14 0.08 0.59 -0.75 4.29 4.35 2v1nA10 GLU 48 HB2 0.20 0.06 0.07 -0.04 2.09 2.37 2v1nA10 GLU 48 HB3 0.20 0.03 0.10 -0.04 1.99 2.28 2v1nA10 GLU 48 HG2 0.20 0.01 -0.12 -0.04 2.34 2.39 2v1nA10 GLU 48 HG3 0.13 -0.00 0.06 -0.04 2.34 2.49 2v1nA10 TYR 49 H 0.37 0.37 -0.13 -0.55 8.29 8.35 2v1nA10 TYR 49 HA 0.16 0.04 0.41 -0.75 4.56 4.41 2v1nA10 TYR 49 HB2 0.21 -0.04 0.07 -0.04 3.06 3.27 2v1nA10 TYR 49 HB3 0.33 0.06 0.30 -0.04 2.98 3.63 2v1nA10 TYR 49 HD2 0.22 0.06 -0.08 -0.04 7.15 7.32 2v1nA10 TYR 49 HE2 0.20 0.05 -0.00 -0.04 6.85 7.05 2v1nA10 ILE 50 H 0.23 0.52 -0.06 -0.55 8.25 8.39 2v1nA10 ILE 50 HA -0.20 0.01 0.26 -0.75 4.18 3.49 2v1nA10 ILE 50 HB 0.35 -0.06 0.03 -0.04 1.89 2.17 2v1nA10 ILE 50 HG12 0.29 0.28 0.08 -0.04 1.49 2.10 2v1nA10 ILE 50 HG13 0.14 0.06 -0.06 -0.04 1.21 1.31 2v1nA10 ILE 50 HG23 0.31 0.06 0.01 -0.04 0.93 1.27 2v1nA10 ILE 50 HD13 0.17 -0.02 -0.07 -0.04 0.88 0.92 2v1nA10 SER 51 H 0.10 0.25 -0.39 -0.55 8.46 7.88 2v1nA10 SER 51 HA -0.00 0.06 0.49 -0.75 4.49 4.28 2v1nA10 SER 51 HB2 0.01 0.02 0.11 -0.04 3.95 4.05 2v1nA10 SER 51 HB3 -0.01 0.08 0.14 -0.04 3.93 4.10 2v1nA10 HIS 52 H 0.09 0.76 -0.37 -0.55 8.41 8.34 2v1nA10 HIS 52 HA -0.02 0.08 0.52 -0.75 4.63 4.47 2v1nA10 HIS 52 HB2 -0.12 0.20 -0.16 -0.04 3.26 3.14 2v1nA10 HIS 52 HB3 -0.05 -0.25 0.12 -0.04 3.20 2.98 2v1nA10 HIS 52 HD2 -0.03 0.12 -0.20 -0.04 6.97 6.81 2v1nA10 HIS 52 HE1 0.01 -0.03 0.01 -0.04 7.75 7.69 2v1nA10 ARG 53 H 0.10 0.14 0.14 -0.55 8.46 8.29 2v1nA10 ARG 53 HA 0.05 0.11 0.49 -0.75 4.34 4.24 2v1nA10 ARG 53 HB2 0.05 0.02 0.05 -0.04 1.90 1.97 2v1nA10 ARG 53 HB3 0.05 0.01 0.12 -0.04 1.80 1.94 2v1nA10 ARG 53 HG2 0.04 0.03 0.04 -0.04 1.67 1.74 2v1nA10 ARG 53 HG3 0.03 -0.12 0.14 -0.04 1.67 1.67 2v1nA10 ARG 53 HD2 0.03 0.01 -0.03 -0.04 3.22 3.19 2v1nA10 ARG 53 HD3 0.04 0.02 -0.29 -0.04 3.22 2.94 2v1nA10 GLU 54 H -0.01 0.08 -0.09 -0.55 8.60 8.03 2v1nA10 GLU 54 HA 0.04 0.05 0.22 -0.75 4.29 3.85 2v1nA10 GLU 54 HB2 0.05 0.01 0.06 -0.04 2.09 2.17 2v1nA10 GLU 54 HB3 -0.04 -0.04 0.08 -0.04 1.99 1.95 2v1nA10 GLU 54 HG2 -0.23 -0.05 -0.14 -0.04 2.34 1.88 2v1nA10 GLU 54 HG3 -1.01 -0.03 -0.29 -0.04 2.34 0.97 2v1nA10 HIS 55 H 0.11 0.29 -0.56 -0.55 8.41 7.70 2v1nA10 HIS 55 HA 0.03 -0.05 0.38 -0.75 4.63 4.24 2v1nA10 HIS 55 HB2 0.00 0.20 0.11 -0.04 3.26 3.53 2v1nA10 HIS 55 HB3 0.01 -0.01 0.14 -0.04 3.20 3.30 2v1nA10 HIS 55 HD2 -0.01 -0.01 -0.03 -0.04 6.97 6.88 2v1nA10 HIS 55 HE1 -0.15 -0.06 -0.15 -0.04 7.75 7.35 2v1nA10 ILE 56 H 0.04 0.24 0.31 -0.55 8.25 8.30 2v1nA10 ILE 56 HA -0.19 0.07 0.68 -0.75 4.18 3.98 2v1nA10 ILE 56 HB 0.33 0.03 0.04 -0.04 1.89 2.24 2v1nA10 ILE 56 HG12 0.08 -0.03 -0.03 -0.04 1.49 1.47 2v1nA10 ILE 56 HG13 0.11 0.18 -0.35 -0.04 1.21 1.12 2v1nA10 ILE 56 HG23 -0.06 -0.05 -0.18 -0.04 0.93 0.59 2v1nA10 ILE 56 HD13 0.21 -0.03 -0.04 -0.04 0.88 0.98 2v1nA10 HIS 57 H -0.20 0.24 0.19 -0.55 8.41 8.09 2v1nA10 HIS 57 HA -0.65 0.21 0.83 -0.75 4.63 4.27 2v1nA10 HIS 57 HB2 -0.23 0.09 -0.00 -0.04 3.26 3.08 2v1nA10 HIS 57 HB3 -0.26 -0.07 0.00 -0.04 3.20 2.83 2v1nA10 HIS 57 HD2 -0.09 0.05 -0.02 -0.04 6.97 6.86 2v1nA10 HIS 57 HE1 -0.14 -0.00 0.02 -0.04 7.75 7.59 2v1nA10 MET 58 H -0.83 0.21 0.08 -0.55 8.47 7.37 2v1nA10 MET 58 HA -0.24 0.10 0.18 -0.75 4.52 3.81 2v1nA10 MET 58 HB2 0.04 0.01 0.04 -0.04 2.15 2.20 2v1nA10 MET 58 HB3 -0.28 0.00 0.08 -0.04 2.03 1.79 2v1nA10 MET 58 HG2 -0.04 -0.07 -0.10 -0.04 2.63 2.37 2v1nA10 MET 58 HG3 -0.23 0.00 -0.18 -0.04 2.56 2.11 2v1nA10 MET 58 HE3 0.19 -0.01 -0.12 -0.04 2.10 2.12 2v1nA10 ASN 59 H -0.39 0.02 -0.60 -0.55 8.53 7.01 2v1nA10 ASN 59 HA -0.18 0.14 0.31 -0.75 4.76 4.28 2v1nA10 ASN 59 HB2 -0.32 0.02 -0.04 -0.04 2.88 2.49 2v1nA10 ASN 59 HB3 -0.23 0.07 0.03 -0.04 2.79 2.62 2v1nA10 ASN 59 HD21 -0.29 -0.04 -0.08 -0.04 7.03 6.58 2v1nA10 ASN 59 HD22 -0.20 0.10 -0.06 -0.04 7.74 7.53 2v1nA10 ALA 60 H -0.28 0.53 -0.13 -0.55 8.40 7.97 2v1nA10 ALA 60 HA -0.37 0.08 0.49 -0.75 4.34 3.79 2v1nA10 ALA 60 HB3 -0.56 -0.02 0.16 -0.04 1.41 0.96 2v1nA10 THR 61 H -0.27 0.28 -0.71 -0.55 8.28 7.04 2v1nA10 THR 61 HA -0.44 0.16 0.62 -0.75 4.39 3.97 2v1nA10 THR 61 HB -1.57 -0.14 0.13 -0.04 4.32 2.69 2v1nA10 THR 61 HG23 -0.19 -0.03 -0.29 -0.04 1.22 0.67 2v1nA10 GLN 62 H -1.10 0.11 0.09 -0.55 8.47 7.02 2v1nA10 GLN 62 HA -0.24 0.19 0.68 -0.75 4.36 4.24 2v1nA10 GLN 62 HB2 -0.21 0.05 0.18 -0.04 2.15 2.12 2v1nA10 GLN 62 HB3 -0.36 0.02 0.01 -0.04 2.02 1.65 2v1nA10 GLN 62 HG2 -0.83 -0.06 -0.05 -0.04 2.40 1.43 2v1nA10 GLN 62 HG3 -0.21 -0.01 -0.04 -0.04 2.39 2.09 2v1nA10 GLN 62 HE21 -0.13 -0.02 -0.02 -0.04 6.97 6.76 2v1nA10 GLN 62 HE22 -0.13 0.03 -0.01 -0.04 7.69 7.53 2v1nA10 TRP 63 H -0.29 0.11 -0.10 -0.55 7.97 7.15 2v1nA10 TRP 63 HA -0.06 0.09 0.68 -0.75 4.62 4.57 2v1nA10 TRP 63 HB2 -0.07 0.11 0.10 -0.04 3.23 3.33 2v1nA10 TRP 63 HB3 -0.00 -0.09 -0.00 -0.04 3.23 3.09 2v1nA10 TRP 63 HD1 -0.03 0.11 -0.29 -0.04 7.22 6.96 2v1nA10 TRP 63 HE1 -0.34 0.06 -0.02 -0.04 10.20 9.86 2v1nA10 TRP 63 HE3 -0.18 0.09 0.03 -0.04 7.59 7.49 2v1nA10 TRP 63 HZ2 -1.39 0.06 0.01 -0.04 7.44 6.08 2v1nA10 TRP 63 HZ3 -0.41 0.04 -0.05 -0.04 7.13 6.67 2v1nA10 TRP 63 HH2 -0.16 0.06 0.02 -0.04 7.19 7.07 2v1nA10 GLU 64 H 0.07 0.21 0.08 -0.55 8.60 8.42 2v1nA10 GLU 64 HA -0.02 0.14 0.37 -0.75 4.29 4.03 2v1nA10 GLU 64 HB2 -0.01 0.07 0.02 -0.04 2.09 2.12 2v1nA10 GLU 64 HB3 0.01 -0.03 0.08 -0.04 1.99 2.00 2v1nA10 GLU 64 HG2 -0.01 -0.04 -0.05 -0.04 2.34 2.20 2v1nA10 GLU 64 HG3 -0.02 0.02 0.10 -0.04 2.34 2.40 2v1nA10 THR 65 H 0.04 0.32 -0.26 -0.55 8.28 7.83 2v1nA10 THR 65 HA -0.02 0.15 0.40 -0.75 4.39 4.16 2v1nA10 THR 65 HB -0.01 0.25 0.02 -0.04 4.32 4.54 2v1nA10 THR 65 HG23 -0.03 -0.03 -0.16 -0.04 1.22 0.96 2v1nA10 LEU 66 H -0.03 0.24 0.10 -0.55 8.37 8.13 2v1nA10 LEU 66 HA -0.00 0.10 0.31 -0.75 4.35 4.00 2v1nA10 LEU 66 HB2 0.07 0.06 0.14 -0.04 1.64 1.87 2v1nA10 LEU 66 HB3 -0.01 0.02 0.09 -0.04 1.64 1.70 2v1nA10 LEU 66 HG 0.31 -0.02 0.05 -0.04 1.64 1.94 2v1nA10 LEU 66 HD13 0.16 0.02 -0.03 -0.04 0.93 1.04 2v1nA10 LEU 66 HD23 0.16 0.00 0.01 -0.04 0.89 1.02 2v1nA10 THR 67 H -0.45 0.12 -0.22 -0.55 8.28 7.18 2v1nA10 THR 67 HA -2.08 0.08 0.25 -0.75 4.39 1.89 2v1nA10 THR 67 HB -0.28 -0.01 -0.00 -0.04 4.32 3.99 2v1nA10 THR 67 HG23 -0.27 0.04 -0.09 -0.04 1.22 0.86 2v1nA10 ASP 68 H -0.19 0.23 -0.23 -0.55 8.40 7.66 2v1nA10 ASP 68 HA -0.11 0.11 0.45 -0.75 4.63 4.33 2v1nA10 ASP 68 HB2 0.01 -0.00 0.10 -0.04 2.71 2.78 2v1nA10 ASP 68 HB3 0.16 -0.06 0.14 -0.04 2.70 2.90 2v1nA10 PHE 69 H -0.26 0.32 -0.15 -0.55 8.34 7.70 2v1nA10 PHE 69 HA -2.11 0.07 0.57 -0.75 4.62 2.40 2v1nA10 PHE 69 HB2 -1.11 -0.00 0.10 -0.04 3.15 2.09 2v1nA10 PHE 69 HB3 -0.49 0.15 0.15 -0.04 3.06 2.82 2v1nA10 PHE 69 HD2 -1.13 -0.03 0.02 -0.04 7.28 6.10 2v1nA10 PHE 69 HE2 -0.26 0.03 -0.05 -0.04 7.38 7.06 2v1nA10 PHE 69 HZ -0.84 0.07 -0.09 -0.04 7.32 6.42 2v1nA10 THR 70 H -0.46 0.32 -0.15 -0.55 8.28 7.44 2v1nA10 THR 70 HA -0.47 0.04 0.43 -0.75 4.39 3.64 2v1nA10 THR 70 HB -0.07 0.04 -0.05 -0.04 4.32 4.19 2v1nA10 THR 70 HG23 -0.01 -0.01 -0.09 -0.04 1.22 1.07 2v1nA10 LYS 71 H -0.28 0.31 -0.12 -0.55 8.42 7.77 2v1nA10 LYS 71 HA -0.04 0.09 0.48 -0.75 4.32 4.09 2v1nA10 LYS 71 HB2 0.00 0.08 0.06 -0.04 1.87 1.97 2v1nA10 LYS 71 HB3 0.02 0.02 0.00 -0.04 1.79 1.79 2v1nA10 LYS 71 HG2 -0.16 0.11 -0.13 -0.04 1.46 1.24 2v1nA10 LYS 71 HG3 -0.02 -0.03 -0.05 -0.04 1.46 1.33 2v1nA10 LYS 71 HD2 0.02 -0.05 -0.08 -0.04 1.69 1.53 2v1nA10 LYS 71 HD3 0.04 0.03 -0.03 -0.04 1.68 1.68 2v1nA10 LYS 71 HE2 -0.12 0.03 -0.11 -0.04 2.99 2.75 2v1nA10 LYS 71 HE3 0.28 -0.02 -0.08 -0.04 2.99 3.13 2v1nA10 TRP 72 H -0.01 0.27 -0.30 -0.55 7.97 7.39 2v1nA10 TRP 72 HA -0.00 0.11 0.51 -0.75 4.62 4.49 2v1nA10 TRP 72 HB2 0.21 0.04 0.11 -0.04 3.23 3.55 2v1nA10 TRP 72 HB3 -0.10 0.01 0.22 -0.04 3.23 3.31 2v1nA10 TRP 72 HD1 0.16 0.02 -0.00 -0.04 7.22 7.36 2v1nA10 TRP 72 HE1 0.13 0.02 -0.04 -0.04 10.20 10.27 2v1nA10 TRP 72 HE3 -0.02 0.02 0.03 -0.04 7.59 7.58 2v1nA10 TRP 72 HZ2 0.16 0.02 -0.07 -0.04 7.44 7.51 2v1nA10 TRP 72 HZ3 0.37 0.00 -0.00 -0.04 7.13 7.46 2v1nA10 TRP 72 HH2 0.22 0.05 -0.06 -0.04 7.19 7.37 2v1nA10 LEU 73 H -0.16 0.66 0.10 -0.55 8.37 8.42 2v1nA10 LEU 73 HA -0.64 0.05 0.49 -0.75 4.35 3.50 2v1nA10 LEU 73 HB2 -0.26 0.01 0.07 -0.04 1.64 1.42 2v1nA10 LEU 73 HB3 -0.53 0.13 0.15 -0.04 1.64 1.35 2v1nA10 LEU 73 HG -0.25 -0.03 -0.35 -0.04 1.64 0.97 2v1nA10 LEU 73 HD13 -0.05 0.01 -0.07 -0.04 0.93 0.78 2v1nA10 LEU 73 HD23 -0.89 -0.02 -0.15 -0.04 0.89 -0.20 2v1nA10 GLY 74 H -0.23 0.30 -0.32 -0.55 8.43 7.63 2v1nA10 GLY 74 HA2 -0.09 0.18 0.26 -0.51 4.01 3.84 2v1nA10 GLY 74 HA3 -0.12 0.13 0.52 -0.51 4.01 4.03 2v1nA10 ARG 75 H -0.18 0.14 -0.62 -0.55 8.46 7.25 2v1nA10 ARG 75 HA -0.09 0.07 0.59 -0.75 4.34 4.16 2v1nA10 ARG 75 HB2 -0.05 0.18 0.20 -0.04 1.90 2.19 2v1nA10 ARG 75 HB3 -0.13 0.07 0.24 -0.04 1.80 1.93 2v1nA10 ARG 75 HG2 -0.06 -0.01 -0.03 -0.04 1.67 1.52 2v1nA10 ARG 75 HG3 -0.02 -0.04 0.07 -0.04 1.67 1.64 2v1nA10 ARG 75 HD2 0.04 -0.01 0.02 -0.04 3.22 3.22 2v1nA10 ARG 75 HD3 0.04 -0.04 0.00 -0.04 3.22 3.17 2v1nA10 GLU 76 H -0.39 0.34 0.00 -0.55 8.60 8.01 2v1nA10 GLU 76 HA -0.22 0.09 0.55 -0.75 4.29 3.96 2v1nA10 GLU 76 HB2 -0.50 -0.02 0.04 -0.04 2.09 1.57 2v1nA10 GLU 76 HB3 -0.31 -0.01 0.10 -0.04 1.99 1.73 2v1nA10 GLU 76 HG2 -0.51 -0.00 -0.00 -0.04 2.34 1.78 2v1nA10 GLU 76 HG3 -1.26 0.16 -0.02 -0.04 2.34 1.19 2v1nA10 GLY 77 H -0.18 0.13 -0.63 -0.55 8.43 7.21 2v1nA10 GLY 77 HA2 -0.11 0.10 0.50 -0.51 4.01 3.99 2v1nA10 GLY 77 HA3 -0.12 0.11 0.23 -0.51 4.01 3.72 2v1nA10 LEU 78 H -0.17 0.56 0.13 -0.55 8.37 8.34 2v1nA10 LEU 78 HA -0.11 0.23 0.85 -0.75 4.35 4.56 2v1nA10 LEU 78 HB2 0.02 -0.07 0.03 -0.04 1.64 1.58 2v1nA10 LEU 78 HB3 0.25 -0.00 0.17 -0.04 1.64 2.02 2v1nA10 LEU 78 HG -0.12 0.00 -0.43 -0.04 1.64 1.05 2v1nA10 LEU 78 HD13 -0.17 -0.02 -0.02 -0.04 0.93 0.68 2v1nA10 LEU 78 HD23 0.04 0.02 -0.06 -0.04 0.89 0.85 2v1nA10 CYS 79 H -0.14 0.18 0.01 -0.55 8.50 8.01 2v1nA10 CYS 79 HA -0.10 0.08 0.55 -0.75 4.58 4.35 2v1nA10 CYS 79 HB2 -0.03 0.10 -0.25 -0.04 2.97 2.75 2v1nA10 CYS 79 HB3 -0.10 -0.07 -0.29 -0.04 2.97 2.47 2v1nA10 LYS 80 H -0.04 0.90 0.24 -0.55 8.42 8.96 2v1nA10 LYS 80 HA -0.03 0.12 0.79 -0.75 4.32 4.45 2v1nA10 LYS 80 HB2 -0.05 0.14 0.03 -0.04 1.87 1.95 2v1nA10 LYS 80 HB3 -0.02 -0.05 0.02 -0.04 1.79 1.70 2v1nA10 LYS 80 HG2 -0.04 0.01 0.01 -0.04 1.46 1.40 2v1nA10 LYS 80 HG3 -0.07 0.01 -0.17 -0.04 1.46 1.19 2v1nA10 LYS 80 HD2 -0.06 0.02 -0.12 -0.04 1.69 1.48 2v1nA10 LYS 80 HD3 -0.04 -0.02 -0.06 -0.04 1.68 1.52 2v1nA10 LYS 80 HE2 -0.04 0.00 -0.03 -0.04 2.99 2.88 2v1nA10 LYS 80 HE3 -0.06 0.01 -0.06 -0.04 2.99 2.83 2v1nA10 VAL 81 H 0.03 0.23 0.12 -0.55 8.24 8.06 2v1nA10 VAL 81 HA 0.08 0.16 0.98 -0.75 4.13 4.59 2v1nA10 VAL 81 HB 0.38 -0.01 -0.14 -0.04 2.12 2.31 2v1nA10 VAL 81 HG13 0.12 0.02 -0.05 -0.04 0.97 1.02 2v1nA10 VAL 81 HG23 0.25 -0.01 -0.09 -0.04 0.95 1.06 2v1nA10 ASP 82 H -0.03 0.73 0.37 -0.55 8.40 8.92 2v1nA10 ASP 82 HA -0.20 0.10 0.68 -0.75 4.63 4.46 2v1nA10 ASP 82 HB2 -0.06 -0.03 -0.04 -0.04 2.71 2.55 2v1nA10 ASP 82 HB3 -0.12 0.02 0.02 -0.04 2.70 2.58 2v1nA10 GLU 83 H -0.31 0.25 0.19 -0.55 8.60 8.19 2v1nA10 GLU 83 HA -0.52 0.11 1.06 -0.75 4.29 4.19 2v1nA10 GLU 83 HB2 -1.42 -0.06 -0.07 -0.04 2.09 0.50 2v1nA10 GLU 83 HB3 -0.45 0.02 0.05 -0.04 1.99 1.58 2v1nA10 GLU 83 HG2 -0.29 0.21 -0.06 -0.04 2.34 2.16 2v1nA10 GLU 83 HG3 -0.69 -0.02 -0.02 -0.04 2.34 1.57 2v1nA10 THR 84 H -0.18 0.42 0.31 -0.55 8.28 8.29 2v1nA10 THR 84 HA -0.11 0.19 0.71 -0.75 4.39 4.42 2v1nA10 THR 84 HB -0.11 0.05 0.15 -0.04 4.32 4.37 2v1nA10 THR 84 HG23 -0.30 0.03 -0.11 -0.04 1.22 0.80 2v1nA10 PRO 85 HA -0.01 0.16 0.67 -0.51 4.44 4.75 2v1nA10 PRO 85 HB2 -0.00 0.04 0.03 -0.04 2.28 2.30 2v1nA10 PRO 85 HB3 -0.01 0.05 0.15 -0.04 2.02 2.17 2v1nA10 PRO 85 HG2 -0.03 0.07 0.07 -0.04 2.03 2.10 2v1nA10 PRO 85 HG3 -0.03 0.06 0.05 -0.04 2.03 2.07 2v1nA10 PRO 85 HD2 -0.05 0.10 0.20 -0.04 3.68 3.88 2v1nA10 PRO 85 HD3 -0.07 0.16 0.22 -0.04 3.65 3.92 2v1nA10 LYS 86 H 0.03 0.04 -0.24 -0.55 8.42 7.70 2v1nA10 LYS 86 HA 0.08 0.23 0.82 -0.75 4.32 4.68 2v1nA10 LYS 86 HB2 0.17 -0.02 -0.05 -0.04 1.87 1.93 2v1nA10 LYS 86 HB3 0.14 0.01 0.11 -0.04 1.79 2.00 2v1nA10 LYS 86 HG2 0.06 0.03 -0.03 -0.04 1.46 1.48 2v1nA10 LYS 86 HG3 0.05 0.07 -0.11 -0.04 1.46 1.43 2v1nA10 LYS 86 HD2 0.00 0.05 -0.06 -0.04 1.69 1.65 2v1nA10 LYS 86 HD3 0.00 -0.12 -0.14 -0.04 1.68 1.38 2v1nA10 LYS 86 HE2 -0.08 0.03 -0.01 -0.04 2.99 2.89 2v1nA10 LYS 86 HE3 -0.05 -0.05 -0.03 -0.04 2.99 2.82 2v1nA10 GLY 87 H 0.04 0.20 -0.07 -0.55 8.43 8.06 2v1nA10 GLY 87 HA2 -0.41 0.09 0.48 -0.51 4.01 3.65 2v1nA10 GLY 87 HA3 -0.05 0.04 0.28 -0.51 4.01 3.77 2v1nA10 TRP 88 H -0.85 0.11 0.15 -0.55 7.97 6.83 2v1nA10 TRP 88 HA -0.10 0.22 0.76 -0.75 4.62 4.74 2v1nA10 TRP 88 HB2 -0.03 -0.11 0.16 -0.04 3.23 3.21 2v1nA10 TRP 88 HB3 -0.02 0.04 -0.03 -0.04 3.23 3.19 2v1nA10 TRP 88 HD1 -0.00 -0.01 -0.05 -0.04 7.22 7.11 2v1nA10 TRP 88 HE1 0.01 0.07 -0.05 -0.04 10.20 10.19 2v1nA10 TRP 88 HE3 -0.02 0.00 -0.16 -0.04 7.59 7.37 2v1nA10 TRP 88 HZ2 0.00 0.03 -0.07 -0.04 7.44 7.37 2v1nA10 TRP 88 HZ3 -0.03 0.03 -0.17 -0.04 7.13 6.92 2v1nA10 TRP 88 HH2 -0.01 0.07 -0.12 -0.04 7.19 7.08 2v1nA10 TYR 89 H -0.00 0.63 0.33 -0.55 8.29 8.69 2v1nA10 TYR 89 HA 0.08 0.13 0.63 -0.75 4.56 4.65 2v1nA10 TYR 89 HB2 -0.08 0.03 -0.01 -0.04 3.06 2.96 2v1nA10 TYR 89 HB3 0.00 0.02 -0.20 -0.04 2.98 2.76 2v1nA10 TYR 89 HD2 -0.07 0.09 -0.28 -0.04 7.15 6.85 2v1nA10 TYR 89 HE2 -0.03 -0.02 -0.20 -0.04 6.85 6.56 2v1nA10 ILE 90 H 0.11 0.74 0.42 -0.55 8.25 8.97 2v1nA10 ILE 90 HA 0.11 0.13 0.83 -0.75 4.18 4.50 2v1nA10 ILE 90 HB 0.08 0.02 -0.05 -0.04 1.89 1.90 2v1nA10 ILE 90 HG12 0.07 0.11 0.10 -0.04 1.49 1.73 2v1nA10 ILE 90 HG13 0.08 0.05 -0.25 -0.04 1.21 1.06 2v1nA10 ILE 90 HG23 0.21 -0.01 -0.14 -0.04 0.93 0.96 2v1nA10 ILE 90 HD13 0.26 -0.03 -0.06 -0.04 0.88 1.00 2v1nA10 GLN 91 H 0.05 0.64 0.19 -0.55 8.47 8.80 2v1nA10 GLN 91 HA 0.07 0.17 0.41 -0.75 4.36 4.26 2v1nA10 GLN 91 HB2 0.05 -0.09 -0.18 -0.04 2.15 1.88 2v1nA10 GLN 91 HB3 0.03 0.08 0.00 -0.04 2.02 2.09 2v1nA10 GLN 91 HG2 -0.02 -0.05 -0.15 -0.04 2.40 2.14 2v1nA10 GLN 91 HG3 0.01 0.09 -0.24 -0.04 2.39 2.21 2v1nA10 GLN 91 HE21 0.02 -0.02 -0.09 -0.04 6.97 6.84 2v1nA10 GLN 91 HE22 0.00 -0.00 -0.05 -0.04 7.69 7.60 2v1nA10 TYR 92 H 0.15 0.12 0.02 -0.55 8.29 8.04 2v1nA10 TYR 92 HA -0.02 0.13 0.67 -0.75 4.56 4.59 2v1nA10 TYR 92 HB2 -0.01 0.06 0.12 -0.04 3.06 3.19 2v1nA10 TYR 92 HB3 -0.02 -0.05 0.07 -0.04 2.98 2.94 2v1nA10 TYR 92 HD2 -0.01 0.05 0.10 -0.04 7.15 7.25 2v1nA10 TYR 92 HE2 -0.01 -0.10 -0.04 -0.04 6.85 6.66 2v1nA10 ILE 93 H -0.75 0.34 -0.26 -0.55 8.25 7.03 2v1nA10 ILE 93 HA -0.28 0.05 0.47 -0.75 4.18 3.67 2v1nA10 ILE 93 HB -0.35 -0.03 -0.12 -0.04 1.89 1.34 2v1nA10 ILE 93 HG12 -0.18 -0.07 -0.43 -0.04 1.49 0.77 2v1nA10 ILE 93 HG13 -0.17 -0.16 -0.47 -0.04 1.21 0.37 2v1nA10 ILE 93 HG23 -0.16 0.01 -0.22 -0.04 0.93 0.51 2v1nA10 ILE 93 HD13 -0.11 0.03 -0.17 -0.04 0.88 0.60 2v1nA10 ASP 94 H -0.19 0.16 -0.01 -0.55 8.40 7.81 2v1nA10 ASP 94 HA -0.06 0.05 0.44 -0.75 4.63 4.30 2v1nA10 ASP 94 HB2 0.03 -0.07 -0.21 -0.04 2.71 2.42 2v1nA10 ASP 94 HB3 0.04 0.04 -0.06 -0.04 2.70 2.68 2v1nA10 ARG 95 H 0.03 0.26 0.18 -0.55 8.46 8.37 2v1nA10 ARG 95 HA -0.02 0.10 0.30 -0.75 4.34 3.96 2v1nA10 ARG 95 HB2 0.11 -0.09 0.20 -0.04 1.90 2.08 2v1nA10 ARG 95 HB3 0.04 0.00 0.10 -0.04 1.80 1.90 2v1nA10 ARG 95 HG2 0.05 0.27 0.20 -0.04 1.67 2.15 2v1nA10 ARG 95 HG3 0.17 -0.05 0.09 -0.04 1.67 1.84 2v1nA10 ARG 95 HD2 -0.04 -0.03 0.03 -0.04 3.22 3.14 2v1nA10 ARG 95 HD3 -0.02 0.10 0.07 -0.04 3.22 3.34 2v1nA10 ASP 96 H 0.04 0.16 0.09 -0.55 8.40 8.15 2v1nA10 ASP 96 HA 0.01 0.30 0.69 -0.75 4.63 4.87 2v1nA10 ASP 96 HB2 0.03 -0.09 0.14 -0.04 2.71 2.74 2v1nA10 ASP 96 HB3 0.02 -0.05 0.08 -0.04 2.70 2.70 2v1nA10 PRO 97 HA 0.03 0.08 0.44 -0.51 4.44 4.48 2v1nA10 PRO 97 HB2 0.01 0.04 0.05 -0.04 2.28 2.33 2v1nA10 PRO 97 HB3 0.01 0.10 0.09 -0.04 2.02 2.18 2v1nA10 PRO 97 HG2 0.01 -0.01 0.06 -0.04 2.03 2.05 2v1nA10 PRO 97 HG3 0.00 0.10 0.07 -0.04 2.03 2.16 2v1nA10 PRO 97 HD2 0.01 0.06 0.21 -0.04 3.68 3.92 2v1nA10 PRO 97 HD3 0.00 0.33 0.09 -0.04 3.65 4.03 2v1nA10 GLU 98 H 0.02 0.16 -0.23 -0.55 8.60 8.00 2v1nA10 GLU 98 HA 0.02 0.07 0.52 -0.75 4.29 4.15 2v1nA10 GLU 98 HB2 0.01 0.01 0.04 -0.04 2.09 2.11 2v1nA10 GLU 98 HB3 0.01 0.05 0.03 -0.04 1.99 2.04 2v1nA10 GLU 98 HG2 0.01 0.03 0.02 -0.04 2.34 2.36 2v1nA10 GLU 98 HG3 0.01 -0.02 0.03 -0.04 2.34 2.31 2v1nA10 THR 99 H 0.03 0.25 -0.36 -0.55 8.28 7.65 2v1nA10 THR 99 HA 0.02 0.09 0.38 -0.75 4.39 4.13 2v1nA10 THR 99 HB 0.04 -0.08 0.13 -0.04 4.32 4.37 2v1nA10 THR 99 HG23 0.07 0.03 -0.04 -0.04 1.22 1.24 2v1nA10 ILE 100 H 0.05 0.15 -0.26 -0.55 8.25 7.65 2v1nA10 ILE 100 HA 0.05 0.22 0.45 -0.75 4.18 4.15 2v1nA10 ILE 100 HB 0.05 0.13 0.21 -0.04 1.89 2.24 2v1nA10 ILE 100 HG12 0.12 -0.02 -0.06 -0.04 1.49 1.49 2v1nA10 ILE 100 HG13 0.16 0.11 -0.03 -0.04 1.21 1.40 2v1nA10 ILE 100 HG23 0.05 0.01 -0.04 -0.04 0.93 0.91 2v1nA10 ILE 100 HD13 0.18 0.02 -0.05 -0.04 0.88 0.99 2v1nA10 ARG 101 H 0.03 0.51 0.06 -0.55 8.46 8.51 2v1nA10 ARG 101 HA 0.02 0.06 0.40 -0.75 4.34 4.06 2v1nA10 ARG 101 HB2 0.01 -0.02 0.17 -0.04 1.90 2.02 2v1nA10 ARG 101 HB3 0.01 -0.01 0.06 -0.04 1.80 1.82 2v1nA10 ARG 101 HG2 0.01 0.00 0.03 -0.04 1.67 1.68 2v1nA10 ARG 101 HG3 0.02 0.16 0.09 -0.04 1.67 1.89 2v1nA10 ARG 101 HD2 0.01 -0.00 -0.03 -0.04 3.22 3.15 2v1nA10 ARG 101 HD3 0.01 -0.06 -0.11 -0.04 3.22 3.03 2v1nA10 ARG 102 H 0.02 0.71 -0.08 -0.55 8.46 8.55 2v1nA10 ARG 102 HA 0.01 -0.02 0.55 -0.75 4.34 4.12 2v1nA10 ARG 102 HB2 0.01 0.07 0.03 -0.04 1.90 1.97 2v1nA10 ARG 102 HB3 0.01 -0.04 0.09 -0.04 1.80 1.81 2v1nA10 ARG 102 HG2 0.01 0.04 0.02 -0.04 1.67 1.70 2v1nA10 ARG 102 HG3 0.01 -0.04 -0.01 -0.04 1.67 1.59 2v1nA10 ARG 102 HD2 0.01 0.01 -0.03 -0.04 3.22 3.17 2v1nA10 ARG 102 HD3 0.01 -0.10 -0.14 -0.04 3.22 2.96 2v1nA10 GLN 103 H 0.02 0.08 -0.71 -0.55 8.47 7.31 2v1nA10 GLN 103 HA 0.01 0.01 0.53 -0.75 4.36 4.15 2v1nA10 GLN 103 HB2 0.01 0.15 0.23 -0.04 2.15 2.50 2v1nA10 GLN 103 HB3 0.01 0.18 -0.11 -0.04 2.02 2.06 2v1nA10 GLN 103 HG2 -0.01 -0.05 -0.17 -0.04 2.40 2.14 2v1nA10 GLN 103 HG3 0.00 -0.05 0.08 -0.04 2.39 2.38 2v1nA10 GLN 103 HE21 -0.02 0.10 0.08 -0.04 6.97 7.08 2v1nA10 GLN 103 HE22 -0.00 -0.09 0.01 -0.04 7.69 7.56 2v1nA10 LEU 104 H 0.01 0.61 0.12 -0.55 8.37 8.57 2v1nA10 LEU 104 HA -0.01 0.14 0.57 -0.75 4.35 4.30 2v1nA10 LEU 104 HB2 0.00 -0.08 -0.02 -0.04 1.64 1.50 2v1nA10 LEU 104 HB3 -0.01 0.05 0.09 -0.04 1.64 1.72 2v1nA10 LEU 104 HG 0.01 0.06 0.04 -0.04 1.64 1.71 2v1nA10 LEU 104 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.79 2v1nA10 LEU 104 HD23 0.01 -0.04 0.08 -0.04 0.89 0.90 2v1nA10 GLU 105 H 0.00 0.54 0.04 -0.55 8.60 8.63 2v1nA10 GLU 105 HA -0.00 0.08 0.51 -0.75 4.29 4.13 2v1nA10 GLU 105 HB2 0.00 0.09 0.11 -0.04 2.09 2.25 2v1nA10 GLU 105 HB3 0.00 -0.06 0.02 -0.04 1.99 1.91 2v1nA10 GLU 105 HG2 0.00 -0.02 0.01 -0.04 2.34 2.29 2v1nA10 GLU 105 HG3 0.00 0.02 0.11 -0.04 2.34 2.44 2v1nA10 LEU 106 H 0.00 0.29 -0.11 -0.55 8.37 8.01 2v1nA10 LEU 106 HA 0.00 0.06 0.47 -0.75 4.35 4.12 2v1nA10 LEU 106 HB2 0.01 0.29 0.12 -0.04 1.64 2.02 2v1nA10 LEU 106 HB3 0.01 -0.03 0.07 -0.04 1.64 1.64 2v1nA10 LEU 106 HG 0.01 -0.01 0.17 -0.04 1.64 1.77 2v1nA10 LEU 106 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 2v1nA10 LEU 106 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.77 2v1nA10 GLU 107 H 0.00 0.26 -0.37 -0.55 8.60 7.94 2v1nA10 GLU 107 HA 0.00 0.02 0.32 -0.75 4.29 3.88 2v1nA10 GLU 107 HB2 0.00 0.19 0.15 -0.04 2.09 2.39 2v1nA10 GLU 107 HB3 -0.00 0.14 -0.03 -0.04 1.99 2.06 2v1nA10 GLU 107 HG2 -0.00 -0.04 -0.10 -0.04 2.34 2.16 2v1nA10 GLU 107 HG3 0.00 -0.08 0.07 -0.04 2.34 2.29 2v1nA10 LYS 108 H 0.00 0.12 -0.97 -0.55 8.42 7.02 2v1nA10 LYS 108 HA -0.00 0.10 0.58 -0.75 4.32 4.24 2v1nA10 LYS 108 HB2 -0.00 0.22 0.02 -0.04 1.87 2.07 2v1nA10 LYS 108 HB3 -0.00 -0.08 0.08 -0.04 1.79 1.75 2v1nA10 LYS 108 HG2 -0.00 0.16 -0.02 -0.04 1.46 1.55 2v1nA10 LYS 108 HG3 -0.01 -0.05 0.04 -0.04 1.46 1.40 2v1nA10 LYS 108 HD2 -0.01 0.02 -0.19 -0.04 1.69 1.47 2v1nA10 LYS 108 HD3 -0.01 0.05 -0.03 -0.04 1.68 1.65 2v1nA10 LYS 108 HE2 -0.01 -0.03 0.05 -0.04 2.99 2.96 2v1nA10 LYS 108 HE3 -0.01 -0.03 0.00 -0.04 2.99 2.91 2v1nA10 LYS 109 H 0.00 0.44 -0.29 -0.55 8.42 8.02 2v1nA10 LYS 109 HA 0.00 0.13 0.71 -0.75 4.32 4.41 2v1nA10 LYS 109 HB2 0.00 -0.01 0.02 -0.04 1.87 1.85 2v1nA10 LYS 109 HB3 0.00 0.09 0.23 -0.04 1.79 2.08 2v1nA10 LYS 109 HG2 0.00 -0.03 0.11 -0.04 1.46 1.50 2v1nA10 LYS 109 HG3 0.00 0.04 0.07 -0.04 1.46 1.53 2v1nA10 LYS 109 HD2 0.00 -0.04 0.02 -0.04 1.69 1.63 2v1nA10 LYS 109 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 2v1nA10 LYS 109 HE2 0.00 0.03 0.05 -0.04 2.99 3.03 2v1nA10 LYS 109 HE3 0.00 -0.02 0.04 -0.04 2.99 2.98 2v1nA10 LYS 110 H 0.00 0.23 -0.34 -0.55 8.42 7.76 2v1nA10 LYS 110 HA 0.00 0.12 0.54 -0.75 4.32 4.23 2v1nA10 LYS 110 HB2 0.00 0.00 -0.02 -0.04 1.87 1.81 2v1nA10 LYS 110 HB3 0.00 -0.05 0.11 -0.04 1.79 1.82 2v1nA10 LYS 110 HG2 0.01 -0.02 -0.08 -0.04 1.46 1.33 2v1nA10 LYS 110 HG3 0.00 0.05 -0.25 -0.04 1.46 1.22 2v1nA10 LYS 110 HD2 0.01 0.11 0.06 -0.04 1.69 1.82 2v1nA10 LYS 110 HD3 0.00 -0.02 0.02 -0.04 1.68 1.64 2v1nA10 LYS 110 HE2 0.01 -0.05 0.02 -0.04 2.99 2.93 2v1nA10 LYS 110 HE3 0.01 -0.03 0.01 -0.04 2.99 2.94 2v1nA10 LYS 111 H 0.00 0.32 -0.37 -0.55 8.42 7.82 2v1nA10 LYS 111 HA 0.00 0.14 0.28 -0.75 4.32 3.98 2v1nA10 LYS 111 HB2 0.00 0.11 -0.17 -0.04 1.87 1.76 2v1nA10 LYS 111 HB3 0.00 -0.01 -0.05 -0.04 1.79 1.69 2v1nA10 LYS 111 HG2 0.00 -0.01 0.00 -0.04 1.46 1.41 2v1nA10 LYS 111 HG3 0.00 -0.02 0.02 -0.04 1.46 1.42 2v1nA10 LYS 111 HD2 0.00 0.01 0.05 -0.04 1.69 1.71 2v1nA10 LYS 111 HD3 0.00 0.04 0.05 -0.04 1.68 1.73 2v1nA10 LYS 111 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 2v1nA10 LYS 111 HE3 0.00 -0.02 0.01 -0.04 2.99 2.94