============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 15 1.000 36.069 46.416 39.508 -99.200 -91.000 PHE 16 1.000 36.841 41.395 39.782 -99.200 -91.000 TYR 32 0.840 30.412 41.031 60.739 -99.200 -91.000 HIS 100 0.900 24.253 42.378 41.212 -99.200 -91.000 TYR 115 0.840 34.839 60.958 25.158 -99.200 -91.000 PHE 145 1.000 30.096 50.054 21.482 -99.200 -91.000 HIS 152 0.900 25.372 58.401 19.404 -99.200 -91.000 PHE 154 1.000 29.124 54.558 17.538 -99.200 -91.000 PHE 164 1.000 35.239 41.673 31.941 -99.200 -91.000 HIS 180 0.900 37.117 43.660 10.667 -99.200 -91.000 PHE 187 1.000 32.688 49.776 25.906 -99.200 -91.000 PHE 214 1.000 32.448 50.025 32.449 -99.200 -91.000 TYR 261 0.840 21.830 48.067 49.343 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gx6A1 LYS 1 HA -0.05 -0.01 0.26 -0.75 4.32 3.77 2gx6A1 LYS 1 HB2 0.00 -0.10 -0.03 -0.04 1.87 1.70 2gx6A1 LYS 1 HB3 -0.01 0.03 -0.02 -0.04 1.79 1.76 2gx6A1 LYS 1 HG2 -0.04 0.10 0.01 -0.04 1.46 1.49 2gx6A1 LYS 1 HG3 -0.02 -0.06 0.01 -0.04 1.46 1.36 2gx6A1 LYS 1 HD2 -0.01 -0.05 -0.06 -0.04 1.69 1.53 2gx6A1 LYS 1 HD3 0.00 -0.07 -0.15 -0.04 1.68 1.42 2gx6A1 LYS 1 HE2 -0.00 -0.03 -0.22 -0.04 2.99 2.70 2gx6A1 LYS 1 HE3 -0.02 0.12 -0.52 -0.04 2.99 2.53 2gx6A1 ASP 2 H -0.03 0.14 0.16 -0.55 8.40 8.12 2gx6A1 ASP 2 HA 0.05 0.15 0.82 -0.75 4.63 4.89 2gx6A1 ASP 2 HB2 0.15 0.00 0.10 -0.04 2.71 2.92 2gx6A1 ASP 2 HB3 0.17 -0.01 0.04 -0.04 2.70 2.86 2gx6A1 THR 3 H 0.07 0.19 0.21 -0.55 8.28 8.19 2gx6A1 THR 3 HA 0.08 0.32 0.92 -0.75 4.39 4.96 2gx6A1 THR 3 HB 0.03 -0.04 0.12 -0.04 4.32 4.38 2gx6A1 THR 3 HG23 0.02 -0.03 -0.25 -0.04 1.22 0.91 2gx6A1 ILE 4 H 0.03 0.78 0.38 -0.55 8.25 8.90 2gx6A1 ILE 4 HA -0.05 0.09 0.90 -0.75 4.18 4.36 2gx6A1 ILE 4 HB -0.09 -0.03 0.06 -0.04 1.89 1.79 2gx6A1 ILE 4 HG12 -0.31 0.03 -0.06 -0.04 1.49 1.10 2gx6A1 ILE 4 HG13 -0.30 0.02 -0.21 -0.04 1.21 0.67 2gx6A1 ILE 4 HG23 -0.11 -0.01 -0.16 -0.04 0.93 0.61 2gx6A1 ILE 4 HD13 -0.76 -0.01 -0.10 -0.04 0.88 -0.03 2gx6A1 ALA 5 H -0.03 0.68 0.32 -0.55 8.40 8.82 2gx6A1 ALA 5 HA -0.01 0.19 1.04 -0.75 4.34 4.80 2gx6A1 ALA 5 HB3 -0.01 -0.01 0.06 -0.04 1.41 1.42 2gx6A1 LEU 6 H -0.01 0.81 0.31 -0.55 8.37 8.94 2gx6A1 LEU 6 HA -0.01 0.28 0.90 -0.75 4.35 4.76 2gx6A1 LEU 6 HB2 -0.02 0.04 -0.06 -0.04 1.64 1.57 2gx6A1 LEU 6 HB3 -0.01 -0.01 0.06 -0.04 1.64 1.64 2gx6A1 LEU 6 HG -0.01 -0.09 -0.39 -0.04 1.64 1.12 2gx6A1 LEU 6 HD13 0.00 0.02 -0.18 -0.04 0.93 0.73 2gx6A1 LEU 6 HD23 0.00 -0.02 -0.09 -0.04 0.89 0.74 2gx6A1 VAL 7 H -0.01 0.78 0.25 -0.55 8.24 8.71 2gx6A1 VAL 7 HA -0.02 0.23 0.89 -0.75 4.13 4.48 2gx6A1 VAL 7 HB -0.01 0.02 0.19 -0.04 2.12 2.27 2gx6A1 VAL 7 HG13 -0.02 -0.02 -0.13 -0.04 0.97 0.76 2gx6A1 VAL 7 HG23 -0.01 0.01 -0.15 -0.04 0.95 0.76 2gx6A1 VAL 8 H -0.04 0.64 0.24 -0.55 8.24 8.53 2gx6A1 VAL 8 HA -0.09 0.10 0.88 -0.75 4.13 4.26 2gx6A1 VAL 8 HB -0.02 0.08 -0.13 -0.04 2.12 2.01 2gx6A1 VAL 8 HG13 -0.03 0.01 -0.16 -0.04 0.97 0.75 2gx6A1 VAL 8 HG23 -0.10 -0.04 0.01 -0.04 0.95 0.78 2gx6A1 SER 9 H -0.37 0.19 0.20 -0.55 8.46 7.93 2gx6A1 SER 9 HA -0.14 0.04 0.26 -0.75 4.49 3.90 2gx6A1 SER 9 HB2 -0.18 -0.05 0.04 -0.04 3.95 3.72 2gx6A1 SER 9 HB3 -0.23 0.30 -0.10 -0.04 3.93 3.87 2gx6A1 THR 10 H -0.45 0.29 -0.05 -0.55 8.28 7.53 2gx6A1 THR 10 HA -0.06 0.00 0.56 -0.75 4.39 4.13 2gx6A1 THR 10 HB -0.05 0.14 -0.11 -0.04 4.32 4.26 2gx6A1 THR 10 HG23 0.04 -0.00 -0.12 -0.04 1.22 1.10 2gx6A1 LEU 11 H 0.01 0.21 0.13 -0.55 8.37 8.18 2gx6A1 LEU 11 HA 0.10 0.15 0.69 -0.75 4.35 4.54 2gx6A1 LEU 11 HB2 0.02 0.06 0.08 -0.04 1.64 1.76 2gx6A1 LEU 11 HB3 0.04 0.08 0.15 -0.04 1.64 1.86 2gx6A1 LEU 11 HG 0.00 -0.12 -0.25 -0.04 1.64 1.23 2gx6A1 LEU 11 HD13 0.01 0.04 -0.06 -0.04 0.93 0.88 2gx6A1 LEU 11 HD23 0.06 0.03 -0.09 -0.04 0.89 0.85 2gx6A1 ASN 12 H 0.05 0.02 0.00 -0.55 8.53 8.05 2gx6A1 ASN 12 HA 0.05 0.25 0.60 -0.75 4.76 4.90 2gx6A1 ASN 12 HB2 0.03 -0.01 0.11 -0.04 2.88 2.98 2gx6A1 ASN 12 HB3 0.06 -0.02 0.05 -0.04 2.79 2.83 2gx6A1 ASN 12 HD21 0.02 0.05 0.06 -0.04 7.03 7.12 2gx6A1 ASN 12 HD22 0.03 0.02 0.04 -0.04 7.74 7.79 2gx6A1 ASN 13 H 0.15 0.11 -0.59 -0.55 8.53 7.65 2gx6A1 ASN 13 HA 0.09 0.24 0.85 -0.75 4.76 5.19 2gx6A1 ASN 13 HB2 0.18 0.12 -0.10 -0.04 2.88 3.04 2gx6A1 ASN 13 HB3 0.40 -0.04 0.06 -0.04 2.79 3.17 2gx6A1 ASN 13 HD21 -0.14 -0.04 0.08 -0.04 7.03 6.89 2gx6A1 ASN 13 HD22 0.15 0.08 0.05 -0.04 7.74 7.98 2gx6A1 PRO 14 HA 0.03 0.16 0.42 -0.51 4.44 4.54 2gx6A1 PRO 14 HB2 0.03 -0.04 0.06 -0.04 2.28 2.28 2gx6A1 PRO 14 HB3 0.02 0.15 0.14 -0.04 2.02 2.28 2gx6A1 PRO 14 HG2 0.03 -0.05 0.13 -0.04 2.03 2.09 2gx6A1 PRO 14 HG3 0.03 0.18 0.11 -0.04 2.03 2.30 2gx6A1 PRO 14 HD2 0.05 0.01 0.27 -0.04 3.68 3.97 2gx6A1 PRO 14 HD3 0.05 0.32 0.18 -0.04 3.65 4.16 2gx6A1 PHE 15 H 0.09 0.08 -0.18 -0.55 8.34 7.78 2gx6A1 PHE 15 HA -0.15 0.11 0.48 -0.75 4.62 4.31 2gx6A1 PHE 15 HB2 -0.22 -0.03 0.14 -0.04 3.15 3.00 2gx6A1 PHE 15 HB3 -0.47 -0.02 0.09 -0.04 3.06 2.62 2gx6A1 PHE 15 HD2 -1.00 0.02 -0.08 -0.04 7.28 6.18 2gx6A1 PHE 15 HE2 -0.26 0.02 -0.02 -0.04 7.38 7.08 2gx6A1 PHE 15 HZ -0.11 0.01 0.00 -0.04 7.32 7.18 2gx6A1 PHE 16 H 0.10 0.25 -0.18 -0.55 8.34 7.96 2gx6A1 PHE 16 HA -0.06 0.05 0.53 -0.75 4.62 4.39 2gx6A1 PHE 16 HB2 0.06 0.04 0.18 -0.04 3.15 3.39 2gx6A1 PHE 16 HB3 0.03 0.08 0.17 -0.04 3.06 3.29 2gx6A1 PHE 16 HD2 0.07 0.01 0.05 -0.04 7.28 7.37 2gx6A1 PHE 16 HE2 0.04 0.04 0.01 -0.04 7.38 7.43 2gx6A1 PHE 16 HZ -0.06 0.02 0.01 -0.04 7.32 7.24 2gx6A1 VAL 17 H 0.08 0.31 -0.03 -0.55 8.24 8.06 2gx6A1 VAL 17 HA 0.03 0.08 0.54 -0.75 4.13 4.03 2gx6A1 VAL 17 HB 0.01 0.03 0.16 -0.04 2.12 2.28 2gx6A1 VAL 17 HG13 0.00 0.02 -0.02 -0.04 0.97 0.93 2gx6A1 VAL 17 HG23 0.05 0.01 0.01 -0.04 0.95 0.98 2gx6A1 SER 18 H -0.10 0.42 -0.29 -0.55 8.46 7.94 2gx6A1 SER 18 HA -0.08 0.09 0.34 -0.75 4.49 4.09 2gx6A1 SER 18 HB2 -0.26 0.10 0.17 -0.04 3.95 3.92 2gx6A1 SER 18 HB3 -0.17 -0.12 -0.03 -0.04 3.93 3.56 2gx6A1 LEU 19 H -0.27 0.43 -0.06 -0.55 8.37 7.93 2gx6A1 LEU 19 HA -0.16 0.21 0.43 -0.75 4.35 4.08 2gx6A1 LEU 19 HB2 -0.35 -0.01 0.17 -0.04 1.64 1.40 2gx6A1 LEU 19 HB3 0.03 0.09 0.18 -0.04 1.64 1.90 2gx6A1 LEU 19 HG -0.06 -0.03 0.05 -0.04 1.64 1.57 2gx6A1 LEU 19 HD13 0.14 -0.03 -0.03 -0.04 0.93 0.97 2gx6A1 LEU 19 HD23 0.06 0.01 -0.27 -0.04 0.89 0.65 2gx6A1 LYS 20 H 0.00 0.58 -0.07 -0.55 8.42 8.38 2gx6A1 LYS 20 HA -0.00 0.01 0.45 -0.75 4.32 4.02 2gx6A1 LYS 20 HB2 0.02 -0.06 0.08 -0.04 1.87 1.87 2gx6A1 LYS 20 HB3 0.01 0.12 0.18 -0.04 1.79 2.06 2gx6A1 LYS 20 HG2 -0.00 0.03 -0.31 -0.04 1.46 1.14 2gx6A1 LYS 20 HG3 0.00 -0.01 -0.02 -0.04 1.46 1.39 2gx6A1 LYS 20 HD2 0.00 0.05 -0.03 -0.04 1.69 1.67 2gx6A1 LYS 20 HD3 0.01 -0.06 -0.03 -0.04 1.68 1.55 2gx6A1 LYS 20 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 2gx6A1 LYS 20 HE3 0.01 -0.04 0.08 -0.04 2.99 3.01 2gx6A1 ASP 21 H -0.03 0.50 -0.13 -0.55 8.40 8.19 2gx6A1 ASP 21 HA -0.02 0.04 0.40 -0.75 4.63 4.30 2gx6A1 ASP 21 HB2 -0.04 0.03 0.18 -0.04 2.71 2.84 2gx6A1 ASP 21 HB3 -0.03 -0.01 0.03 -0.04 2.70 2.65 2gx6A1 GLY 22 H -0.06 0.49 -0.11 -0.55 8.43 8.20 2gx6A1 GLY 22 HA2 -0.04 0.03 0.51 -0.51 4.01 4.00 2gx6A1 GLY 22 HA3 -0.05 0.13 0.48 -0.51 4.01 4.06 2gx6A1 ALA 23 H -0.03 0.47 -0.13 -0.55 8.40 8.16 2gx6A1 ALA 23 HA -0.03 0.10 0.17 -0.75 4.34 3.83 2gx6A1 ALA 23 HB3 -0.02 -0.00 0.05 -0.04 1.41 1.39 2gx6A1 GLN 24 H -0.01 0.63 -0.10 -0.55 8.47 8.44 2gx6A1 GLN 24 HA 0.00 0.04 0.41 -0.75 4.36 4.06 2gx6A1 GLN 24 HB2 -0.00 0.01 0.09 -0.04 2.15 2.20 2gx6A1 GLN 24 HB3 -0.01 0.05 0.13 -0.04 2.02 2.16 2gx6A1 GLN 24 HG2 -0.00 -0.02 -0.02 -0.04 2.40 2.32 2gx6A1 GLN 24 HG3 0.00 0.01 -0.16 -0.04 2.39 2.19 2gx6A1 GLN 24 HE21 0.01 0.02 0.07 -0.04 6.97 7.04 2gx6A1 GLN 24 HE22 0.01 -0.01 0.05 -0.04 7.69 7.70 2gx6A1 LYS 25 H -0.01 0.56 -0.09 -0.55 8.42 8.31 2gx6A1 LYS 25 HA -0.00 0.03 0.45 -0.75 4.32 4.04 2gx6A1 LYS 25 HB2 -0.01 0.05 0.17 -0.04 1.87 2.04 2gx6A1 LYS 25 HB3 -0.02 0.07 0.15 -0.04 1.79 1.96 2gx6A1 LYS 25 HG2 -0.01 0.00 -0.09 -0.04 1.46 1.32 2gx6A1 LYS 25 HG3 -0.01 -0.00 0.06 -0.04 1.46 1.47 2gx6A1 LYS 25 HD2 -0.02 -0.04 -0.00 -0.04 1.69 1.59 2gx6A1 LYS 25 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 2gx6A1 LYS 25 HE2 -0.01 0.02 0.01 -0.04 2.99 2.97 2gx6A1 LYS 25 HE3 -0.01 0.01 0.03 -0.04 2.99 2.98 2gx6A1 GLU 26 H -0.01 0.42 -0.26 -0.55 8.60 8.20 2gx6A1 GLU 26 HA 0.00 0.03 0.43 -0.75 4.29 4.00 2gx6A1 GLU 26 HB2 -0.02 -0.03 0.15 -0.04 2.09 2.14 2gx6A1 GLU 26 HB3 -0.02 0.08 0.16 -0.04 1.99 2.18 2gx6A1 GLU 26 HG2 -0.03 0.13 0.08 -0.04 2.34 2.48 2gx6A1 GLU 26 HG3 0.01 0.01 -0.19 -0.04 2.34 2.12 2gx6A1 ALA 27 H 0.01 0.56 -0.10 -0.55 8.40 8.32 2gx6A1 ALA 27 HA 0.13 -0.01 0.39 -0.75 4.34 4.10 2gx6A1 ALA 27 HB3 0.05 0.03 0.00 -0.04 1.41 1.45 2gx6A1 ASP 28 H 0.03 0.62 -0.06 -0.55 8.40 8.43 2gx6A1 ASP 28 HA 0.02 0.06 0.43 -0.75 4.63 4.38 2gx6A1 ASP 28 HB2 0.01 0.11 0.18 -0.04 2.71 2.97 2gx6A1 ASP 28 HB3 0.01 -0.05 0.03 -0.04 2.70 2.65 2gx6A1 LYS 29 H 0.02 0.38 -0.26 -0.55 8.42 8.01 2gx6A1 LYS 29 HA 0.00 0.00 0.36 -0.75 4.32 3.93 2gx6A1 LYS 29 HB2 0.00 -0.05 0.12 -0.04 1.87 1.91 2gx6A1 LYS 29 HB3 0.01 0.07 0.22 -0.04 1.79 2.05 2gx6A1 LYS 29 HG2 0.01 0.04 -0.17 -0.04 1.46 1.30 2gx6A1 LYS 29 HG3 0.00 -0.04 0.03 -0.04 1.46 1.42 2gx6A1 LYS 29 HD2 0.00 -0.02 0.00 -0.04 1.69 1.64 2gx6A1 LYS 29 HD3 0.00 -0.03 -0.03 -0.04 1.68 1.59 2gx6A1 LYS 29 HE2 -0.00 -0.00 -0.00 -0.04 2.99 2.94 2gx6A1 LYS 29 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.96 2gx6A1 LEU 30 H 0.07 0.51 -0.09 -0.55 8.37 8.31 2gx6A1 LEU 30 HA 0.01 0.10 0.57 -0.75 4.35 4.28 2gx6A1 LEU 30 HB2 0.24 0.03 0.06 -0.04 1.64 1.93 2gx6A1 LEU 30 HB3 0.21 -0.03 0.11 -0.04 1.64 1.89 2gx6A1 LEU 30 HG 0.06 -0.01 -0.03 -0.04 1.64 1.61 2gx6A1 LEU 30 HD13 0.08 -0.03 -0.09 -0.04 0.93 0.85 2gx6A1 LEU 30 HD23 0.04 0.00 -0.03 -0.04 0.89 0.87 2gx6A1 GLY 31 H -0.00 0.34 -0.44 -0.55 8.43 7.78 2gx6A1 GLY 31 HA2 -0.06 0.03 0.27 -0.51 4.01 3.74 2gx6A1 GLY 31 HA3 -0.15 0.01 0.38 -0.51 4.01 3.74 2gx6A1 TYR 32 H 0.12 0.42 -0.01 -0.55 8.29 8.28 2gx6A1 TYR 32 HA -0.00 0.23 1.00 -0.75 4.56 5.03 2gx6A1 TYR 32 HB2 -0.01 -0.14 -0.06 -0.04 3.06 2.81 2gx6A1 TYR 32 HB3 -0.01 0.05 -0.08 -0.04 2.98 2.91 2gx6A1 TYR 32 HD2 -0.01 -0.00 -0.19 -0.04 7.15 6.91 2gx6A1 TYR 32 HE2 -0.01 -0.02 -0.08 -0.04 6.85 6.70 2gx6A1 ASN 33 H 0.13 0.71 0.22 -0.55 8.53 9.04 2gx6A1 ASN 33 HA 0.05 0.08 0.75 -0.75 4.76 4.88 2gx6A1 ASN 33 HB2 0.04 0.13 -0.08 -0.04 2.88 2.93 2gx6A1 ASN 33 HB3 0.05 -0.12 -0.07 -0.04 2.79 2.62 2gx6A1 ASN 33 HD21 0.02 -0.02 -0.10 -0.04 7.03 6.89 2gx6A1 ASN 33 HD22 0.02 -0.08 -0.31 -0.04 7.74 7.34 2gx6A1 LEU 34 H 0.03 0.21 0.10 -0.55 8.37 8.17 2gx6A1 LEU 34 HA 0.01 0.37 1.00 -0.75 4.35 4.98 2gx6A1 LEU 34 HB2 0.02 0.04 -0.10 -0.04 1.64 1.56 2gx6A1 LEU 34 HB3 0.01 -0.04 0.09 -0.04 1.64 1.66 2gx6A1 LEU 34 HG -0.00 -0.04 -0.37 -0.04 1.64 1.18 2gx6A1 LEU 34 HD13 -0.02 0.05 -0.21 -0.04 0.93 0.70 2gx6A1 LEU 34 HD23 -0.01 -0.02 -0.25 -0.04 0.89 0.57 2gx6A1 VAL 35 H 0.00 0.62 0.24 -0.55 8.24 8.55 2gx6A1 VAL 35 HA 0.00 0.14 0.89 -0.75 4.13 4.41 2gx6A1 VAL 35 HB 0.00 -0.01 0.12 -0.04 2.12 2.19 2gx6A1 VAL 35 HG13 0.00 -0.01 -0.18 -0.04 0.97 0.74 2gx6A1 VAL 35 HG23 0.01 0.02 -0.12 -0.04 0.95 0.82 2gx6A1 VAL 36 H 0.00 0.23 0.09 -0.55 8.24 8.01 2gx6A1 VAL 36 HA -0.01 0.33 0.98 -0.75 4.13 4.68 2gx6A1 VAL 36 HB 0.00 0.01 0.14 -0.04 2.12 2.22 2gx6A1 VAL 36 HG13 -0.00 -0.04 -0.15 -0.04 0.97 0.74 2gx6A1 VAL 36 HG23 -0.00 0.02 -0.13 -0.04 0.95 0.79 2gx6A1 LEU 37 H -0.01 0.67 0.35 -0.55 8.37 8.83 2gx6A1 LEU 37 HA -0.01 0.15 0.92 -0.75 4.35 4.66 2gx6A1 LEU 37 HB2 -0.01 -0.02 0.08 -0.04 1.64 1.65 2gx6A1 LEU 37 HB3 -0.01 -0.00 -0.05 -0.04 1.64 1.54 2gx6A1 LEU 37 HG -0.00 0.01 -0.24 -0.04 1.64 1.37 2gx6A1 LEU 37 HD13 -0.00 0.02 -0.04 -0.04 0.93 0.86 2gx6A1 LEU 37 HD23 -0.00 0.05 -0.05 -0.04 0.89 0.85 2gx6A1 ASP 38 H -0.01 0.25 0.10 -0.55 8.40 8.19 2gx6A1 ASP 38 HA -0.03 0.07 0.58 -0.75 4.63 4.50 2gx6A1 ASP 38 HB2 -0.01 0.07 0.01 -0.04 2.71 2.74 2gx6A1 ASP 38 HB3 -0.01 0.11 0.16 -0.04 2.70 2.92 2gx6A1 SER 39 H -0.05 0.70 0.20 -0.55 8.46 8.75 2gx6A1 SER 39 HA -0.02 0.16 0.50 -0.75 4.49 4.37 2gx6A1 SER 39 HB2 -0.06 0.06 0.11 -0.04 3.95 4.02 2gx6A1 SER 39 HB3 -0.03 -0.09 0.09 -0.04 3.93 3.85 2gx6A1 GLN 40 H -0.04 -0.04 -0.16 -0.55 8.47 7.69 2gx6A1 GLN 40 HA -0.01 -0.14 0.38 -0.75 4.36 3.83 2gx6A1 GLN 40 HB2 -0.01 0.15 -0.02 -0.04 2.15 2.23 2gx6A1 GLN 40 HB3 -0.00 0.00 0.17 -0.04 2.02 2.15 2gx6A1 GLN 40 HG2 -0.01 -0.10 -0.03 -0.04 2.40 2.22 2gx6A1 GLN 40 HG3 -0.01 0.13 -0.40 -0.04 2.39 2.06 2gx6A1 GLN 40 HE21 -0.00 0.05 -0.00 -0.04 6.97 6.98 2gx6A1 GLN 40 HE22 -0.00 -0.06 -0.01 -0.04 7.69 7.58 2gx6A1 ASN 41 H -0.05 0.81 0.09 -0.55 8.53 8.85 2gx6A1 ASN 41 HA -0.02 -0.05 0.27 -0.75 4.76 4.20 2gx6A1 ASN 41 HB2 0.01 0.14 -0.19 -0.04 2.88 2.79 2gx6A1 ASN 41 HB3 0.01 0.00 0.26 -0.04 2.79 3.02 2gx6A1 ASN 41 HD21 0.07 -0.06 -0.04 -0.04 7.03 6.96 2gx6A1 ASN 41 HD22 0.04 0.06 -0.05 -0.04 7.74 7.75 2gx6A1 ASN 42 H -0.02 0.36 -0.34 -0.55 8.53 7.99 2gx6A1 ASN 42 HA -0.01 0.19 0.80 -0.75 4.76 4.99 2gx6A1 ASN 42 HB2 -0.01 0.17 -0.05 -0.04 2.88 2.96 2gx6A1 ASN 42 HB3 -0.01 0.27 0.22 -0.04 2.79 3.23 2gx6A1 ASN 42 HD21 -0.00 0.03 0.01 -0.04 7.03 7.02 2gx6A1 ASN 42 HD22 -0.01 0.11 0.03 -0.04 7.74 7.83 2gx6A1 PRO 43 HA -0.01 -0.01 0.44 -0.51 4.44 4.35 2gx6A1 PRO 43 HB2 -0.01 0.09 0.04 -0.04 2.28 2.36 2gx6A1 PRO 43 HB3 -0.01 0.02 0.06 -0.04 2.02 2.05 2gx6A1 PRO 43 HG2 -0.01 0.11 0.08 -0.04 2.03 2.17 2gx6A1 PRO 43 HG3 -0.01 -0.02 0.02 -0.04 2.03 1.98 2gx6A1 PRO 43 HD2 -0.01 0.13 0.25 -0.04 3.68 4.01 2gx6A1 PRO 43 HD3 -0.01 0.35 0.25 -0.04 3.65 4.20 2gx6A1 ALA 44 H -0.01 0.17 -0.10 -0.55 8.40 7.91 2gx6A1 ALA 44 HA -0.01 0.11 0.53 -0.75 4.34 4.22 2gx6A1 ALA 44 HB3 -0.00 0.04 0.06 -0.04 1.41 1.46 2gx6A1 LYS 45 H -0.01 0.11 -0.18 -0.55 8.42 7.79 2gx6A1 LYS 45 HA -0.01 0.09 0.50 -0.75 4.32 4.15 2gx6A1 LYS 45 HB2 -0.01 -0.04 0.12 -0.04 1.87 1.91 2gx6A1 LYS 45 HB3 -0.01 0.21 0.20 -0.04 1.79 2.15 2gx6A1 LYS 45 HG2 -0.01 0.06 -0.03 -0.04 1.46 1.44 2gx6A1 LYS 45 HG3 -0.01 -0.05 -0.10 -0.04 1.46 1.25 2gx6A1 LYS 45 HD2 -0.01 -0.03 0.03 -0.04 1.69 1.65 2gx6A1 LYS 45 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.63 2gx6A1 LYS 45 HE2 -0.01 0.04 -0.01 -0.04 2.99 2.97 2gx6A1 LYS 45 HE3 -0.01 0.01 0.00 -0.04 2.99 2.95 2gx6A1 GLU 46 H -0.01 0.53 -0.02 -0.55 8.60 8.55 2gx6A1 GLU 46 HA -0.02 0.03 0.42 -0.75 4.29 3.97 2gx6A1 GLU 46 HB2 -0.02 -0.03 0.08 -0.04 2.09 2.08 2gx6A1 GLU 46 HB3 -0.01 0.11 0.15 -0.04 1.99 2.19 2gx6A1 GLU 46 HG2 -0.01 0.06 -0.27 -0.04 2.34 2.08 2gx6A1 GLU 46 HG3 -0.02 0.01 -0.04 -0.04 2.34 2.25 2gx6A1 LEU 47 H -0.01 0.48 -0.20 -0.55 8.37 8.10 2gx6A1 LEU 47 HA -0.00 -0.01 0.49 -0.75 4.35 4.07 2gx6A1 LEU 47 HB2 -0.00 -0.01 0.14 -0.04 1.64 1.73 2gx6A1 LEU 47 HB3 -0.00 0.13 0.19 -0.04 1.64 1.91 2gx6A1 LEU 47 HG -0.00 0.04 -0.20 -0.04 1.64 1.44 2gx6A1 LEU 47 HD13 -0.00 -0.02 -0.01 -0.04 0.93 0.86 2gx6A1 LEU 47 HD23 -0.00 0.00 -0.02 -0.04 0.89 0.83 2gx6A1 ALA 48 H -0.01 0.51 -0.05 -0.55 8.40 8.31 2gx6A1 ALA 48 HA -0.00 0.04 0.46 -0.75 4.34 4.08 2gx6A1 ALA 48 HB3 -0.00 0.03 0.10 -0.04 1.41 1.50 2gx6A1 ASN 49 H -0.01 0.64 -0.17 -0.55 8.53 8.45 2gx6A1 ASN 49 HA -0.00 0.05 0.49 -0.75 4.76 4.53 2gx6A1 ASN 49 HB2 -0.01 0.06 0.10 -0.04 2.88 3.00 2gx6A1 ASN 49 HB3 -0.01 -0.06 -0.08 -0.04 2.79 2.60 2gx6A1 ASN 49 HD21 -0.01 0.11 -0.23 -0.04 7.03 6.85 2gx6A1 ASN 49 HD22 -0.02 -0.11 -0.37 -0.04 7.74 7.20 2gx6A1 VAL 50 H -0.01 0.50 -0.13 -0.55 8.24 8.06 2gx6A1 VAL 50 HA -0.00 0.03 0.46 -0.75 4.13 3.86 2gx6A1 VAL 50 HB -0.00 0.06 0.18 -0.04 2.12 2.31 2gx6A1 VAL 50 HG13 -0.00 0.01 -0.11 -0.04 0.97 0.83 2gx6A1 VAL 50 HG23 -0.01 -0.00 -0.02 -0.04 0.95 0.89 2gx6A1 GLN 51 H -0.00 0.57 -0.08 -0.55 8.47 8.41 2gx6A1 GLN 51 HA -0.00 0.04 0.43 -0.75 4.36 4.07 2gx6A1 GLN 51 HB2 -0.00 0.09 0.17 -0.04 2.15 2.37 2gx6A1 GLN 51 HB3 -0.00 -0.00 -0.03 -0.04 2.02 1.95 2gx6A1 GLN 51 HG2 -0.00 -0.01 0.03 -0.04 2.40 2.38 2gx6A1 GLN 51 HG3 -0.00 0.03 0.08 -0.04 2.39 2.46 2gx6A1 GLN 51 HE21 -0.00 -0.04 -0.05 -0.04 6.97 6.84 2gx6A1 GLN 51 HE22 -0.00 -0.00 -0.04 -0.04 7.69 7.61 2gx6A1 ASP 52 H -0.00 0.52 -0.18 -0.55 8.40 8.19 2gx6A1 ASP 52 HA -0.00 0.03 0.44 -0.75 4.63 4.35 2gx6A1 ASP 52 HB2 -0.00 0.00 0.12 -0.04 2.71 2.79 2gx6A1 ASP 52 HB3 -0.00 0.11 0.19 -0.04 2.70 2.96 2gx6A1 LEU 53 H -0.00 0.45 -0.22 -0.55 8.37 8.05 2gx6A1 LEU 53 HA 0.00 0.01 0.30 -0.75 4.35 3.91 2gx6A1 LEU 53 HB2 -0.00 0.08 0.14 -0.04 1.64 1.82 2gx6A1 LEU 53 HB3 -0.00 -0.06 -0.03 -0.04 1.64 1.51 2gx6A1 LEU 53 HG -0.00 0.18 0.05 -0.04 1.64 1.82 2gx6A1 LEU 53 HD13 -0.01 -0.05 -0.13 -0.04 0.93 0.71 2gx6A1 LEU 53 HD23 -0.00 -0.02 -0.06 -0.04 0.89 0.77 2gx6A1 THR 54 H -0.00 0.60 -0.11 -0.55 8.28 8.23 2gx6A1 THR 54 HA 0.00 0.06 0.52 -0.75 4.39 4.22 2gx6A1 THR 54 HB 0.00 0.04 0.05 -0.04 4.32 4.37 2gx6A1 THR 54 HG23 0.00 0.05 -0.08 -0.04 1.22 1.15 2gx6A1 VAL 55 H 0.00 0.39 -0.25 -0.55 8.24 7.84 2gx6A1 VAL 55 HA 0.00 0.12 0.57 -0.75 4.13 4.07 2gx6A1 VAL 55 HB 0.00 -0.05 0.11 -0.04 2.12 2.14 2gx6A1 VAL 55 HG13 0.00 0.06 0.03 -0.04 0.97 1.03 2gx6A1 VAL 55 HG23 0.00 0.03 0.02 -0.04 0.95 0.95 2gx6A1 ARG 56 H 0.00 0.30 -0.20 -0.55 8.46 8.00 2gx6A1 ARG 56 HA 0.00 0.07 0.61 -0.75 4.34 4.27 2gx6A1 ARG 56 HB2 0.00 0.00 0.08 -0.04 1.90 1.95 2gx6A1 ARG 56 HB3 0.01 -0.05 0.05 -0.04 1.80 1.76 2gx6A1 ARG 56 HG2 0.00 -0.04 0.00 -0.04 1.67 1.60 2gx6A1 ARG 56 HG3 0.00 0.04 -0.02 -0.04 1.67 1.65 2gx6A1 ARG 56 HD2 0.00 -0.06 -0.11 -0.04 3.22 3.01 2gx6A1 ARG 56 HD3 0.00 -0.03 -0.26 -0.04 3.22 2.90 2gx6A1 GLY 57 H 0.00 0.26 -0.61 -0.55 8.43 7.54 2gx6A1 GLY 57 HA2 0.01 0.13 0.30 -0.51 4.01 3.94 2gx6A1 GLY 57 HA3 0.01 0.01 0.32 -0.51 4.01 3.85 2gx6A1 VAL 58 H 0.01 0.21 -0.09 -0.55 8.24 7.81 2gx6A1 VAL 58 HA 0.01 0.00 0.49 -0.75 4.13 3.88 2gx6A1 VAL 58 HB 0.00 0.00 -0.09 -0.04 2.12 1.99 2gx6A1 VAL 58 HG13 -0.00 -0.07 -0.16 -0.04 0.97 0.70 2gx6A1 VAL 58 HG23 0.00 0.00 -0.07 -0.04 0.95 0.85 2gx6A1 LYS 59 H 0.02 0.58 0.35 -0.55 8.42 8.81 2gx6A1 LYS 59 HA 0.01 0.21 0.55 -0.75 4.32 4.34 2gx6A1 LYS 59 HB2 0.03 0.01 0.10 -0.04 1.87 1.97 2gx6A1 LYS 59 HB3 0.03 0.01 0.07 -0.04 1.79 1.86 2gx6A1 LYS 59 HG2 0.05 -0.08 0.17 -0.04 1.46 1.56 2gx6A1 LYS 59 HG3 0.08 -0.05 0.07 -0.04 1.46 1.52 2gx6A1 LYS 59 HD2 0.03 0.00 0.07 -0.04 1.69 1.76 2gx6A1 LYS 59 HD3 0.02 0.12 -0.04 -0.04 1.68 1.74 2gx6A1 LYS 59 HE2 0.03 -0.03 0.08 -0.04 2.99 3.03 2gx6A1 LYS 59 HE3 0.04 -0.04 0.05 -0.04 2.99 3.00 2gx6A1 ILE 60 H -0.02 0.14 0.16 -0.55 8.25 7.98 2gx6A1 ILE 60 HA -0.02 0.30 0.74 -0.75 4.18 4.45 2gx6A1 ILE 60 HB -0.10 -0.13 0.04 -0.04 1.89 1.67 2gx6A1 ILE 60 HG12 -0.04 -0.01 -0.56 -0.04 1.49 0.84 2gx6A1 ILE 60 HG13 -0.10 -0.02 -0.10 -0.04 1.21 0.94 2gx6A1 ILE 60 HG23 -0.05 -0.03 -0.24 -0.04 0.93 0.57 2gx6A1 ILE 60 HD13 -0.02 0.02 0.04 -0.04 0.88 0.88 2gx6A1 LEU 61 H -0.01 0.79 0.18 -0.55 8.37 8.77 2gx6A1 LEU 61 HA -0.02 0.13 1.00 -0.75 4.35 4.71 2gx6A1 LEU 61 HB2 -0.00 0.03 -0.05 -0.04 1.64 1.58 2gx6A1 LEU 61 HB3 -0.00 0.08 0.11 -0.04 1.64 1.79 2gx6A1 LEU 61 HG 0.00 -0.08 -0.46 -0.04 1.64 1.05 2gx6A1 LEU 61 HD13 -0.01 0.01 -0.12 -0.04 0.93 0.77 2gx6A1 LEU 61 HD23 0.00 -0.02 -0.10 -0.04 0.89 0.73 2gx6A1 LEU 62 H -0.02 0.83 0.29 -0.55 8.37 8.92 2gx6A1 LEU 62 HA -0.00 0.26 0.94 -0.75 4.35 4.80 2gx6A1 LEU 62 HB2 -0.02 -0.03 0.26 -0.04 1.64 1.81 2gx6A1 LEU 62 HB3 -0.01 -0.09 0.01 -0.04 1.64 1.51 2gx6A1 LEU 62 HG -0.05 0.08 -0.12 -0.04 1.64 1.51 2gx6A1 LEU 62 HD13 -0.05 -0.02 -0.21 -0.04 0.93 0.61 2gx6A1 LEU 62 HD23 -0.04 0.03 -0.12 -0.04 0.89 0.72 2gx6A1 ILE 63 H 0.02 0.67 0.35 -0.55 8.25 8.75 2gx6A1 ILE 63 HA 0.00 0.23 1.05 -0.75 4.18 4.71 2gx6A1 ILE 63 HB 0.00 0.06 -0.22 -0.04 1.89 1.69 2gx6A1 ILE 63 HG12 0.01 -0.12 -0.29 -0.04 1.49 1.05 2gx6A1 ILE 63 HG13 -0.01 0.08 -0.06 -0.04 1.21 1.18 2gx6A1 ILE 63 HG23 0.02 0.01 -0.07 -0.04 0.93 0.85 2gx6A1 ILE 63 HD13 -0.00 -0.01 -0.11 -0.04 0.88 0.72 2gx6A1 ASN 64 H -0.01 0.73 0.28 -0.55 8.53 8.98 2gx6A1 ASN 64 HA 0.07 0.31 0.92 -0.75 4.76 5.30 2gx6A1 ASN 64 HB2 0.09 0.06 0.17 -0.04 2.88 3.16 2gx6A1 ASN 64 HB3 -0.05 -0.10 0.39 -0.04 2.79 2.98 2gx6A1 ASN 64 HD21 0.28 -0.14 0.03 -0.04 7.03 7.16 2gx6A1 ASN 64 HD22 0.18 0.42 0.32 -0.04 7.74 8.62 2gx6A1 PRO 65 HA -0.01 0.01 0.33 -0.51 4.44 4.26 2gx6A1 PRO 65 HB2 0.02 -0.11 -0.24 -0.04 2.28 1.92 2gx6A1 PRO 65 HB3 0.01 0.03 -0.12 -0.04 2.02 1.90 2gx6A1 PRO 65 HG2 0.03 0.17 -0.36 -0.04 2.03 1.83 2gx6A1 PRO 65 HG3 0.02 0.06 -0.12 -0.04 2.03 1.95 2gx6A1 PRO 65 HD2 0.07 0.08 0.10 -0.04 3.68 3.89 2gx6A1 PRO 65 HD3 0.05 0.35 -0.20 -0.04 3.65 3.81 2gx6A1 VAL 66 H -0.02 0.16 0.09 -0.55 8.24 7.93 2gx6A1 VAL 66 HA -0.03 0.06 0.62 -0.75 4.13 4.03 2gx6A1 VAL 66 HB -0.01 -0.02 -0.01 -0.04 2.12 2.04 2gx6A1 VAL 66 HG13 -0.01 0.00 -0.34 -0.04 0.97 0.59 2gx6A1 VAL 66 HG23 -0.04 0.02 -0.09 -0.04 0.95 0.79 2gx6A1 ASP 67 H 0.00 0.18 -0.15 -0.55 8.40 7.88 2gx6A1 ASP 67 HA 0.02 0.14 0.50 -0.75 4.63 4.53 2gx6A1 ASP 67 HB2 0.00 0.16 -0.20 -0.04 2.71 2.63 2gx6A1 ASP 67 HB3 -0.00 -0.06 0.08 -0.04 2.70 2.68 2gx6A1 SER 68 H 0.02 0.51 0.21 -0.55 8.46 8.65 2gx6A1 SER 68 HA 0.01 0.17 0.48 -0.75 4.49 4.39 2gx6A1 SER 68 HB2 0.01 0.16 0.22 -0.04 3.95 4.30 2gx6A1 SER 68 HB3 -0.01 0.00 0.03 -0.04 3.93 3.92 2gx6A1 ASP 69 H 0.00 0.19 -0.04 -0.55 8.40 8.00 2gx6A1 ASP 69 HA -0.00 0.12 0.67 -0.75 4.63 4.65 2gx6A1 ASP 69 HB2 -0.00 -0.04 0.08 -0.04 2.71 2.71 2gx6A1 ASP 69 HB3 -0.00 0.10 -0.00 -0.04 2.70 2.75 2gx6A1 ALA 70 H -0.00 0.07 -0.22 -0.55 8.40 7.71 2gx6A1 ALA 70 HA -0.00 0.20 0.54 -0.75 4.34 4.33 2gx6A1 ALA 70 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 2gx6A1 VAL 71 H -0.00 0.29 -0.23 -0.55 8.24 7.75 2gx6A1 VAL 71 HA -0.00 0.06 0.35 -0.75 4.13 3.78 2gx6A1 VAL 71 HB 0.00 -0.06 0.09 -0.04 2.12 2.12 2gx6A1 VAL 71 HG13 0.00 0.07 -0.03 -0.04 0.97 0.98 2gx6A1 VAL 71 HG23 0.00 -0.01 0.01 -0.04 0.95 0.92 2gx6A1 GLY 72 H -0.00 0.20 -0.42 -0.55 8.43 7.66 2gx6A1 GLY 72 HA2 -0.00 0.28 0.23 -0.51 4.01 4.01 2gx6A1 GLY 72 HA3 -0.00 0.07 0.19 -0.51 4.01 3.76 2gx6A1 ASN 73 H -0.00 0.20 -0.24 -0.55 8.53 7.94 2gx6A1 ASN 73 HA -0.00 0.10 0.45 -0.75 4.76 4.56 2gx6A1 ASN 73 HB2 -0.00 0.02 0.09 -0.04 2.88 2.94 2gx6A1 ASN 73 HB3 -0.00 0.06 -0.01 -0.04 2.79 2.79 2gx6A1 ASN 73 HD21 -0.00 0.03 -0.00 -0.04 7.03 7.01 2gx6A1 ASN 73 HD22 -0.00 0.01 0.00 -0.04 7.74 7.71 2gx6A1 ALA 74 H -0.00 0.10 -0.13 -0.55 8.40 7.82 2gx6A1 ALA 74 HA -0.00 0.09 0.53 -0.75 4.34 4.20 2gx6A1 ALA 74 HB3 -0.00 0.01 0.07 -0.04 1.41 1.45 2gx6A1 VAL 75 H 0.00 0.55 -0.10 -0.55 8.24 8.14 2gx6A1 VAL 75 HA 0.00 0.05 0.41 -0.75 4.13 3.84 2gx6A1 VAL 75 HB 0.00 0.12 0.13 -0.04 2.12 2.32 2gx6A1 VAL 75 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.79 2gx6A1 VAL 75 HG23 0.01 -0.01 -0.04 -0.04 0.95 0.87 2gx6A1 LYS 76 H 0.00 0.51 -0.13 -0.55 8.42 8.24 2gx6A1 LYS 76 HA 0.00 -0.02 0.47 -0.75 4.32 4.01 2gx6A1 LYS 76 HB2 0.00 0.07 0.16 -0.04 1.87 2.05 2gx6A1 LYS 76 HB3 0.00 0.01 0.06 -0.04 1.79 1.82 2gx6A1 LYS 76 HG2 0.00 -0.06 0.06 -0.04 1.46 1.42 2gx6A1 LYS 76 HG3 0.00 0.14 0.08 -0.04 1.46 1.64 2gx6A1 LYS 76 HD2 -0.00 -0.04 -0.15 -0.04 1.69 1.46 2gx6A1 LYS 76 HD3 0.00 0.03 -0.02 -0.04 1.68 1.65 2gx6A1 LYS 76 HE2 0.00 0.03 -0.01 -0.04 2.99 2.97 2gx6A1 LYS 76 HE3 -0.00 -0.12 -0.05 -0.04 2.99 2.78 2gx6A1 MET 77 H 0.00 0.37 -0.32 -0.55 8.47 7.97 2gx6A1 MET 77 HA 0.00 0.05 0.56 -0.75 4.52 4.38 2gx6A1 MET 77 HB2 0.00 0.17 0.17 -0.04 2.15 2.45 2gx6A1 MET 77 HB3 0.00 -0.00 -0.01 -0.04 2.03 1.98 2gx6A1 MET 77 HG2 0.00 -0.02 0.03 -0.04 2.63 2.60 2gx6A1 MET 77 HG3 -0.00 0.19 0.09 -0.04 2.56 2.79 2gx6A1 MET 77 HE3 0.00 0.01 -0.00 -0.04 2.10 2.06 2gx6A1 ALA 78 H 0.00 0.35 -0.07 -0.55 8.40 8.13 2gx6A1 ALA 78 HA 0.00 0.06 0.55 -0.75 4.34 4.20 2gx6A1 ALA 78 HB3 0.00 0.04 0.08 -0.04 1.41 1.50 2gx6A1 ASN 79 H 0.00 0.56 -0.01 -0.55 8.53 8.54 2gx6A1 ASN 79 HA 0.01 0.06 0.43 -0.75 4.76 4.50 2gx6A1 ASN 79 HB2 0.00 0.13 0.19 -0.04 2.88 3.16 2gx6A1 ASN 79 HB3 0.00 -0.03 0.02 -0.04 2.79 2.74 2gx6A1 ASN 79 HD21 0.01 0.29 0.15 -0.04 7.03 7.45 2gx6A1 ASN 79 HD22 0.01 0.04 0.03 -0.04 7.74 7.77 2gx6A1 GLN 80 H 0.00 0.48 -0.19 -0.55 8.47 8.22 2gx6A1 GLN 80 HA 0.00 0.01 0.46 -0.75 4.36 4.07 2gx6A1 GLN 80 HB2 0.00 0.10 0.17 -0.04 2.15 2.38 2gx6A1 GLN 80 HB3 0.00 -0.04 0.04 -0.04 2.02 1.98 2gx6A1 GLN 80 HG2 0.00 -0.06 0.05 -0.04 2.40 2.35 2gx6A1 GLN 80 HG3 0.00 0.14 0.10 -0.04 2.39 2.58 2gx6A1 GLN 80 HE21 0.00 -0.07 -0.08 -0.04 6.97 6.78 2gx6A1 GLN 80 HE22 0.00 -0.03 -0.23 -0.04 7.69 7.40 2gx6A1 ALA 81 H 0.00 0.34 -0.25 -0.55 8.40 7.95 2gx6A1 ALA 81 HA 0.00 0.08 0.64 -0.75 4.34 4.31 2gx6A1 ALA 81 HB3 0.00 -0.01 0.14 -0.04 1.41 1.50 2gx6A1 ASN 82 H 0.00 0.27 -0.62 -0.55 8.53 7.64 2gx6A1 ASN 82 HA 0.01 -0.01 0.25 -0.75 4.76 4.25 2gx6A1 ASN 82 HB2 0.01 0.17 -0.01 -0.04 2.88 3.00 2gx6A1 ASN 82 HB3 0.01 -0.07 0.21 -0.04 2.79 2.90 2gx6A1 ASN 82 HD21 0.01 -0.07 -0.01 -0.04 7.03 6.92 2gx6A1 ASN 82 HD22 0.01 0.00 -0.03 -0.04 7.74 7.68 2gx6A1 ILE 83 H 0.00 0.51 -0.14 -0.55 8.25 8.07 2gx6A1 ILE 83 HA 0.00 0.29 0.74 -0.75 4.18 4.47 2gx6A1 ILE 83 HB 0.00 -0.16 0.07 -0.04 1.89 1.76 2gx6A1 ILE 83 HG12 0.00 0.21 -0.09 -0.04 1.49 1.57 2gx6A1 ILE 83 HG13 0.00 0.05 -0.31 -0.04 1.21 0.90 2gx6A1 ILE 83 HG23 -0.00 -0.00 -0.36 -0.04 0.93 0.52 2gx6A1 ILE 83 HD13 0.00 -0.05 -0.00 -0.04 0.88 0.79 2gx6A1 PRO 84 HA 0.01 -0.00 0.48 -0.51 4.44 4.42 2gx6A1 PRO 84 HB2 0.00 -0.04 0.01 -0.04 2.28 2.21 2gx6A1 PRO 84 HB3 0.01 -0.04 0.07 -0.04 2.02 2.02 2gx6A1 PRO 84 HG2 0.01 0.07 0.07 -0.04 2.03 2.14 2gx6A1 PRO 84 HG3 0.01 0.04 0.02 -0.04 2.03 2.06 2gx6A1 PRO 84 HD2 0.00 0.36 0.34 -0.04 3.68 4.34 2gx6A1 PRO 84 HD3 0.01 0.40 0.22 -0.04 3.65 4.24 2gx6A1 VAL 85 H 0.01 0.12 0.23 -0.55 8.24 8.05 2gx6A1 VAL 85 HA 0.01 0.31 1.03 -0.75 4.13 4.73 2gx6A1 VAL 85 HB 0.02 0.05 0.24 -0.04 2.12 2.38 2gx6A1 VAL 85 HG13 0.02 -0.04 -0.14 -0.04 0.97 0.77 2gx6A1 VAL 85 HG23 0.01 0.03 -0.02 -0.04 0.95 0.92 2gx6A1 ILE 86 H 0.01 0.81 0.41 -0.55 8.25 8.93 2gx6A1 ILE 86 HA 0.05 0.13 0.97 -0.75 4.18 4.58 2gx6A1 ILE 86 HB -0.00 0.01 0.12 -0.04 1.89 1.98 2gx6A1 ILE 86 HG12 0.04 -0.01 -0.06 -0.04 1.49 1.42 2gx6A1 ILE 86 HG13 0.02 -0.05 -0.34 -0.04 1.21 0.80 2gx6A1 ILE 86 HG23 0.02 -0.00 -0.17 -0.04 0.93 0.73 2gx6A1 ILE 86 HD13 -0.02 0.03 -0.20 -0.04 0.88 0.65 2gx6A1 THR 87 H 0.11 0.46 0.35 -0.55 8.28 8.66 2gx6A1 THR 87 HA 0.08 0.30 1.12 -0.75 4.39 5.14 2gx6A1 THR 87 HB 0.19 0.25 0.15 -0.04 4.32 4.87 2gx6A1 THR 87 HG23 0.05 -0.04 -0.05 -0.04 1.22 1.14 2gx6A1 LEU 88 H 0.09 0.67 0.40 -0.55 8.37 8.99 2gx6A1 LEU 88 HA 0.02 0.27 1.06 -0.75 4.35 4.95 2gx6A1 LEU 88 HB2 0.08 -0.08 0.02 -0.04 1.64 1.61 2gx6A1 LEU 88 HB3 0.05 -0.04 -0.01 -0.04 1.64 1.60 2gx6A1 LEU 88 HG 0.02 0.03 -0.22 -0.04 1.64 1.43 2gx6A1 LEU 88 HD13 0.01 -0.01 -0.13 -0.04 0.93 0.75 2gx6A1 LEU 88 HD23 -0.01 0.06 -0.16 -0.04 0.89 0.74 2gx6A1 ASP 89 H -0.01 0.93 0.33 -0.55 8.40 9.11 2gx6A1 ASP 89 HA 0.11 -0.08 0.51 -0.75 4.63 4.42 2gx6A1 ASP 89 HB2 0.26 -0.00 -0.02 -0.04 2.71 2.90 2gx6A1 ASP 89 HB3 0.31 0.17 -0.15 -0.04 2.70 2.99 2gx6A1 ARG 90 H 0.20 0.78 0.02 -0.55 8.46 8.90 2gx6A1 ARG 90 HA 0.18 0.02 0.85 -0.75 4.34 4.63 2gx6A1 ARG 90 HB2 0.10 0.15 0.08 -0.04 1.90 2.19 2gx6A1 ARG 90 HB3 0.08 -0.16 0.12 -0.04 1.80 1.80 2gx6A1 ARG 90 HG2 0.12 -0.29 0.04 -0.04 1.67 1.50 2gx6A1 ARG 90 HG3 0.16 -0.01 -0.32 -0.04 1.67 1.45 2gx6A1 ARG 90 HD2 0.09 0.16 -0.04 -0.04 3.22 3.39 2gx6A1 ARG 90 HD3 0.09 -0.01 -0.05 -0.04 3.22 3.22 2gx6A1 GLN 91 H 0.00 -0.05 0.10 -0.55 8.47 7.97 2gx6A1 GLN 91 HA -0.24 0.00 0.43 -0.75 4.36 3.80 2gx6A1 GLN 91 HB2 -0.11 -0.12 -0.04 -0.04 2.15 1.84 2gx6A1 GLN 91 HB3 -0.22 0.00 -0.07 -0.04 2.02 1.69 2gx6A1 GLN 91 HG2 -1.29 0.00 -0.12 -0.04 2.40 0.95 2gx6A1 GLN 91 HG3 -0.23 -0.16 -0.05 -0.04 2.39 1.90 2gx6A1 GLN 91 HE21 -0.03 0.04 -0.06 -0.04 6.97 6.88 2gx6A1 GLN 91 HE22 -0.17 0.02 -0.10 -0.04 7.69 7.40 2gx6A1 ALA 92 H -0.06 0.29 0.09 -0.55 8.40 8.17 2gx6A1 ALA 92 HA -0.01 0.08 0.85 -0.75 4.34 4.50 2gx6A1 ALA 92 HB3 -0.00 0.07 0.02 -0.04 1.41 1.45 2gx6A1 THR 93 H -0.01 0.54 0.15 -0.55 8.28 8.40 2gx6A1 THR 93 HA -0.03 0.03 0.37 -0.75 4.39 4.02 2gx6A1 THR 93 HB -0.01 0.02 0.11 -0.04 4.32 4.39 2gx6A1 THR 93 HG23 -0.01 0.01 -0.06 -0.04 1.22 1.12 2gx6A1 LYS 94 H -0.01 0.03 -0.02 -0.55 8.42 7.87 2gx6A1 LYS 94 HA -0.01 0.26 0.81 -0.75 4.32 4.63 2gx6A1 LYS 94 HB2 -0.00 -0.13 0.03 -0.04 1.87 1.73 2gx6A1 LYS 94 HB3 -0.00 0.01 0.05 -0.04 1.79 1.80 2gx6A1 LYS 94 HG2 -0.00 0.12 -0.03 -0.04 1.46 1.51 2gx6A1 LYS 94 HG3 -0.01 -0.10 -0.23 -0.04 1.46 1.09 2gx6A1 LYS 94 HD2 -0.00 -0.04 -0.02 -0.04 1.69 1.58 2gx6A1 LYS 94 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.65 2gx6A1 LYS 94 HE2 -0.00 0.05 -0.02 -0.04 2.99 2.97 2gx6A1 LYS 94 HE3 -0.00 -0.04 -0.03 -0.04 2.99 2.87 2gx6A1 GLY 95 H -0.00 0.11 0.05 -0.55 8.43 8.05 2gx6A1 GLY 95 HA2 0.00 0.02 0.32 -0.51 4.01 3.84 2gx6A1 GLY 95 HA3 0.00 0.13 0.69 -0.51 4.01 4.32 2gx6A1 GLU 96 H 0.00 0.15 0.06 -0.55 8.60 8.26 2gx6A1 GLU 96 HA 0.01 0.12 0.73 -0.75 4.29 4.39 2gx6A1 GLU 96 HB2 0.01 0.02 0.13 -0.04 2.09 2.21 2gx6A1 GLU 96 HB3 0.01 0.07 -0.00 -0.04 1.99 2.02 2gx6A1 GLU 96 HG2 0.00 -0.10 0.01 -0.04 2.34 2.21 2gx6A1 GLU 96 HG3 0.01 0.08 0.01 -0.04 2.34 2.39 2gx6A1 VAL 97 H 0.01 0.28 0.15 -0.55 8.24 8.13 2gx6A1 VAL 97 HA 0.02 0.20 0.88 -0.75 4.13 4.47 2gx6A1 VAL 97 HB 0.02 0.02 0.02 -0.04 2.12 2.14 2gx6A1 VAL 97 HG13 0.06 -0.03 -0.18 -0.04 0.97 0.78 2gx6A1 VAL 97 HG23 0.01 -0.02 -0.30 -0.04 0.95 0.61 2gx6A1 VAL 98 H 0.03 0.61 0.33 -0.55 8.24 8.66 2gx6A1 VAL 98 HA 0.03 0.00 0.56 -0.75 4.13 3.97 2gx6A1 VAL 98 HB 0.03 0.00 0.09 -0.04 2.12 2.21 2gx6A1 VAL 98 HG13 0.05 0.01 -0.16 -0.04 0.97 0.83 2gx6A1 VAL 98 HG23 0.02 -0.01 0.02 -0.04 0.95 0.94 2gx6A1 SER 99 H 0.07 0.22 0.18 -0.55 8.46 8.38 2gx6A1 SER 99 HA 0.11 0.33 0.76 -0.75 4.49 4.93 2gx6A1 SER 99 HB2 0.14 0.13 -0.37 -0.04 3.95 3.81 2gx6A1 SER 99 HB3 0.12 -0.13 -0.09 -0.04 3.93 3.79 2gx6A1 HIS 100 H 0.18 0.74 0.29 -0.55 8.41 9.07 2gx6A1 HIS 100 HA 0.06 0.22 0.89 -0.75 4.63 5.05 2gx6A1 HIS 100 HB2 0.04 -0.01 -0.01 -0.04 3.26 3.24 2gx6A1 HIS 100 HB3 0.05 0.08 0.11 -0.04 3.20 3.40 2gx6A1 HIS 100 HD2 0.05 0.03 -0.19 -0.04 6.97 6.81 2gx6A1 HIS 100 HE1 0.06 -0.17 -0.88 -0.04 7.75 6.72 2gx6A1 ILE 101 H -0.19 0.62 0.22 -0.55 8.25 8.34 2gx6A1 ILE 101 HA -0.05 0.24 0.93 -0.75 4.18 4.55 2gx6A1 ILE 101 HB -0.05 -0.05 0.17 -0.04 1.89 1.92 2gx6A1 ILE 101 HG12 0.05 0.06 -0.17 -0.04 1.49 1.39 2gx6A1 ILE 101 HG13 0.06 -0.09 -0.55 -0.04 1.21 0.59 2gx6A1 ILE 101 HG23 -0.03 0.02 -0.05 -0.04 0.93 0.83 2gx6A1 ILE 101 HD13 -0.09 -0.00 -0.28 -0.04 0.88 0.47 2gx6A1 ALA 102 H -0.10 0.54 0.18 -0.55 8.40 8.47 2gx6A1 ALA 102 HA -0.01 -0.02 0.72 -0.75 4.34 4.27 2gx6A1 ALA 102 HB3 -0.10 0.01 -0.18 -0.04 1.41 1.11 2gx6A1 SER 103 H 0.09 0.05 0.16 -0.55 8.46 8.21 2gx6A1 SER 103 HA 0.07 0.35 0.74 -0.75 4.49 4.90 2gx6A1 SER 103 HB2 0.16 -0.09 0.03 -0.04 3.95 4.01 2gx6A1 SER 103 HB3 0.16 0.05 -0.07 -0.04 3.93 4.03 2gx6A1 ASP 104 H 0.08 0.32 0.11 -0.55 8.40 8.37 2gx6A1 ASP 104 HA 0.09 0.15 0.77 -0.75 4.63 4.89 2gx6A1 ASP 104 HB2 0.06 0.14 0.13 -0.04 2.71 2.99 2gx6A1 ASP 104 HB3 0.07 0.01 0.22 -0.04 2.70 2.97 2gx6A1 ASN 105 H 0.11 0.41 -0.10 -0.55 8.53 8.40 2gx6A1 ASN 105 HA 0.23 0.06 0.38 -0.75 4.76 4.67 2gx6A1 ASN 105 HB2 0.07 0.05 0.07 -0.04 2.88 3.03 2gx6A1 ASN 105 HB3 0.01 0.03 0.03 -0.04 2.79 2.82 2gx6A1 ASN 105 HD21 0.07 -0.03 0.07 -0.04 7.03 7.10 2gx6A1 ASN 105 HD22 0.09 0.05 0.03 -0.04 7.74 7.87 2gx6A1 VAL 106 H 0.09 0.11 -0.18 -0.55 8.24 7.71 2gx6A1 VAL 106 HA 0.10 0.31 0.56 -0.75 4.13 4.34 2gx6A1 VAL 106 HB 0.06 -0.03 0.05 -0.04 2.12 2.17 2gx6A1 VAL 106 HG13 0.05 0.03 -0.15 -0.04 0.97 0.87 2gx6A1 VAL 106 HG23 0.06 0.01 0.05 -0.04 0.95 1.03 2gx6A1 LEU 107 H 0.09 0.07 -0.18 -0.55 8.37 7.80 2gx6A1 LEU 107 HA 0.07 0.11 0.38 -0.75 4.35 4.15 2gx6A1 LEU 107 HB2 0.06 0.00 0.09 -0.04 1.64 1.75 2gx6A1 LEU 107 HB3 0.08 0.12 0.11 -0.04 1.64 1.91 2gx6A1 LEU 107 HG 0.04 -0.02 -0.19 -0.04 1.64 1.43 2gx6A1 LEU 107 HD13 0.03 0.01 0.01 -0.04 0.93 0.95 2gx6A1 LEU 107 HD23 0.03 0.01 0.00 -0.04 0.89 0.89 2gx6A1 GLY 108 H 0.19 0.41 -0.22 -0.55 8.43 8.26 2gx6A1 GLY 108 HA2 0.12 0.02 0.35 -0.51 4.01 3.99 2gx6A1 GLY 108 HA3 0.49 -0.00 0.23 -0.51 4.01 4.22 2gx6A1 GLY 109 H 0.24 0.47 -0.16 -0.55 8.43 8.44 2gx6A1 GLY 109 HA2 0.11 0.00 0.43 -0.51 4.01 4.05 2gx6A1 GLY 109 HA3 0.24 0.15 0.41 -0.51 4.01 4.30 2gx6A1 LYS 110 H 0.11 0.45 -0.21 -0.55 8.42 8.22 2gx6A1 LYS 110 HA 0.06 0.14 0.39 -0.75 4.32 4.15 2gx6A1 LYS 110 HB2 0.05 0.00 0.10 -0.04 1.87 1.98 2gx6A1 LYS 110 HB3 0.05 0.07 0.13 -0.04 1.79 2.00 2gx6A1 LYS 110 HG2 0.04 -0.01 -0.24 -0.04 1.46 1.21 2gx6A1 LYS 110 HG3 0.02 0.01 -0.03 -0.04 1.46 1.41 2gx6A1 LYS 110 HD2 0.02 -0.02 -0.04 -0.04 1.69 1.60 2gx6A1 LYS 110 HD3 0.03 -0.03 -0.05 -0.04 1.68 1.59 2gx6A1 LYS 110 HE2 -0.01 0.03 -0.07 -0.04 2.99 2.90 2gx6A1 LYS 110 HE3 -0.00 0.00 -0.05 -0.04 2.99 2.91 2gx6A1 ILE 111 H 0.06 0.59 -0.11 -0.55 8.25 8.24 2gx6A1 ILE 111 HA 0.04 0.06 0.36 -0.75 4.18 3.88 2gx6A1 ILE 111 HB 0.01 0.06 0.12 -0.04 1.89 2.04 2gx6A1 ILE 111 HG12 0.01 0.02 -0.00 -0.04 1.49 1.48 2gx6A1 ILE 111 HG13 0.03 0.13 0.02 -0.04 1.21 1.35 2gx6A1 ILE 111 HG23 -0.03 -0.02 -0.18 -0.04 0.93 0.66 2gx6A1 ILE 111 HD13 -0.01 -0.05 -0.14 -0.04 0.88 0.65 2gx6A1 ALA 112 H -0.04 0.51 -0.17 -0.55 8.40 8.16 2gx6A1 ALA 112 HA -0.02 0.01 0.41 -0.75 4.34 3.98 2gx6A1 ALA 112 HB3 -0.55 0.01 0.02 -0.04 1.41 0.86 2gx6A1 GLY 113 H 0.04 0.53 -0.15 -0.55 8.43 8.31 2gx6A1 GLY 113 HA2 0.38 0.00 0.41 -0.51 4.01 4.29 2gx6A1 GLY 113 HA3 0.16 0.06 0.29 -0.51 4.01 4.01 2gx6A1 ASP 114 H 0.09 0.60 -0.17 -0.55 8.40 8.37 2gx6A1 ASP 114 HA -0.06 0.04 0.40 -0.75 4.63 4.26 2gx6A1 ASP 114 HB2 0.08 0.07 0.14 -0.04 2.71 2.96 2gx6A1 ASP 114 HB3 0.07 -0.02 -0.03 -0.04 2.70 2.67 2gx6A1 TYR 115 H 0.16 0.45 -0.22 -0.55 8.29 8.12 2gx6A1 TYR 115 HA -0.02 0.06 0.51 -0.75 4.56 4.35 2gx6A1 TYR 115 HB2 -0.01 0.00 0.07 -0.04 3.06 3.08 2gx6A1 TYR 115 HB3 -0.00 0.06 0.08 -0.04 2.98 3.07 2gx6A1 TYR 115 HD2 -0.00 -0.02 -0.12 -0.04 7.15 6.97 2gx6A1 TYR 115 HE2 -0.00 0.01 -0.12 -0.04 6.85 6.70 2gx6A1 ILE 116 H 0.13 0.45 -0.12 -0.55 8.25 8.16 2gx6A1 ILE 116 HA -0.08 0.01 0.42 -0.75 4.18 3.78 2gx6A1 ILE 116 HB 0.13 0.10 0.07 -0.04 1.89 2.15 2gx6A1 ILE 116 HG12 0.04 -0.01 -0.11 -0.04 1.49 1.37 2gx6A1 ILE 116 HG13 0.13 0.05 -0.02 -0.04 1.21 1.32 2gx6A1 ILE 116 HG23 -0.28 0.01 -0.25 -0.04 0.93 0.37 2gx6A1 ILE 116 HD13 0.18 -0.03 -0.27 -0.04 0.88 0.72 2gx6A1 ALA 117 H 0.10 0.56 -0.24 -0.55 8.40 8.27 2gx6A1 ALA 117 HA 0.14 0.15 0.32 -0.75 4.34 4.20 2gx6A1 ALA 117 HB3 -0.63 0.01 0.01 -0.04 1.41 0.77 2gx6A1 LYS 118 H -0.16 0.44 -0.17 -0.55 8.42 7.98 2gx6A1 LYS 118 HA -0.10 -0.01 0.38 -0.75 4.32 3.83 2gx6A1 LYS 118 HB2 -0.08 -0.00 0.14 -0.04 1.87 1.88 2gx6A1 LYS 118 HB3 -0.30 0.10 0.16 -0.04 1.79 1.71 2gx6A1 LYS 118 HG2 -0.10 0.04 -0.11 -0.04 1.46 1.26 2gx6A1 LYS 118 HG3 -0.04 -0.05 0.03 -0.04 1.46 1.37 2gx6A1 LYS 118 HD2 0.08 -0.05 -0.02 -0.04 1.69 1.66 2gx6A1 LYS 118 HD3 0.02 0.01 -0.04 -0.04 1.68 1.62 2gx6A1 LYS 118 HE2 0.04 0.01 -0.03 -0.04 2.99 2.97 2gx6A1 LYS 118 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 2gx6A1 LYS 119 H -0.29 0.38 -0.17 -0.55 8.42 7.79 2gx6A1 LYS 119 HA -0.15 0.15 0.72 -0.75 4.32 4.29 2gx6A1 LYS 119 HB2 -0.35 -0.02 0.06 -0.04 1.87 1.53 2gx6A1 LYS 119 HB3 -0.17 -0.00 0.04 -0.04 1.79 1.61 2gx6A1 LYS 119 HG2 -0.85 0.00 -0.07 -0.04 1.46 0.51 2gx6A1 LYS 119 HG3 -0.64 -0.05 -0.04 -0.04 1.46 0.69 2gx6A1 LYS 119 HD2 -0.14 0.11 -0.12 -0.04 1.69 1.49 2gx6A1 LYS 119 HD3 -0.12 -0.06 -0.08 -0.04 1.68 1.38 2gx6A1 LYS 119 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.92 2gx6A1 LYS 119 HE3 -0.07 0.04 0.03 -0.04 2.99 2.95 2gx6A1 ALA 120 H -0.11 0.64 0.13 -0.55 8.40 8.52 2gx6A1 ALA 120 HA -0.05 0.14 0.82 -0.75 4.34 4.49 2gx6A1 ALA 120 HB3 -0.07 -0.02 0.03 -0.04 1.41 1.30 2gx6A1 GLY 121 H -0.02 0.22 -0.01 -0.55 8.43 8.08 2gx6A1 GLY 121 HA2 0.00 0.06 0.30 -0.51 4.01 3.86 2gx6A1 GLY 121 HA3 0.02 0.16 0.58 -0.51 4.01 4.26 2gx6A1 GLU 122 H 0.04 0.07 0.14 -0.55 8.60 8.31 2gx6A1 GLU 122 HA 0.09 0.08 0.62 -0.75 4.29 4.33 2gx6A1 GLU 122 HB2 0.03 -0.03 0.10 -0.04 2.09 2.15 2gx6A1 GLU 122 HB3 0.03 0.08 0.05 -0.04 1.99 2.11 2gx6A1 GLU 122 HG2 0.03 -0.03 0.10 -0.04 2.34 2.40 2gx6A1 GLU 122 HG3 0.03 -0.02 0.05 -0.04 2.34 2.36 2gx6A1 GLY 123 H 0.14 0.66 0.13 -0.55 8.43 8.81 2gx6A1 GLY 123 HA2 0.13 0.45 0.34 -0.51 4.01 4.42 2gx6A1 GLY 123 HA3 0.08 -0.02 0.42 -0.51 4.01 3.98 2gx6A1 ALA 124 H 0.28 0.28 -0.46 -0.55 8.40 7.95 2gx6A1 ALA 124 HA 0.02 0.08 0.35 -0.75 4.34 4.04 2gx6A1 ALA 124 HB3 -0.14 0.02 -0.17 -0.04 1.41 1.07 2gx6A1 LYS 125 H -0.01 0.19 0.21 -0.55 8.42 8.25 2gx6A1 LYS 125 HA -0.00 0.27 0.92 -0.75 4.32 4.76 2gx6A1 LYS 125 HB2 -0.01 0.03 0.27 -0.04 1.87 2.12 2gx6A1 LYS 125 HB3 -0.00 -0.05 0.01 -0.04 1.79 1.71 2gx6A1 LYS 125 HG2 0.02 0.01 0.07 -0.04 1.46 1.52 2gx6A1 LYS 125 HG3 0.02 0.04 0.11 -0.04 1.46 1.59 2gx6A1 LYS 125 HD2 0.02 0.20 0.02 -0.04 1.69 1.89 2gx6A1 LYS 125 HD3 0.03 -0.08 -0.05 -0.04 1.68 1.54 2gx6A1 LYS 125 HE2 0.03 -0.01 0.01 -0.04 2.99 2.98 2gx6A1 LYS 125 HE3 0.02 0.03 0.03 -0.04 2.99 3.03 2gx6A1 VAL 126 H -0.02 0.67 0.30 -0.55 8.24 8.64 2gx6A1 VAL 126 HA -0.06 0.31 1.05 -0.75 4.13 4.68 2gx6A1 VAL 126 HB 0.07 -0.04 -0.10 -0.04 2.12 2.01 2gx6A1 VAL 126 HG13 -0.59 0.04 -0.41 -0.04 0.97 -0.03 2gx6A1 VAL 126 HG23 0.13 -0.01 -0.27 -0.04 0.95 0.77 2gx6A1 ILE 127 H -0.02 0.64 0.44 -0.55 8.25 8.76 2gx6A1 ILE 127 HA -0.03 0.24 0.88 -0.75 4.18 4.52 2gx6A1 ILE 127 HB -0.03 0.02 0.09 -0.04 1.89 1.92 2gx6A1 ILE 127 HG12 -0.11 -0.04 0.04 -0.04 1.49 1.33 2gx6A1 ILE 127 HG13 -0.06 0.01 -0.26 -0.04 1.21 0.85 2gx6A1 ILE 127 HG23 -0.04 -0.04 -0.28 -0.04 0.93 0.53 2gx6A1 ILE 127 HD13 0.01 0.02 -0.13 -0.04 0.88 0.74 2gx6A1 GLU 128 H -0.03 0.59 0.35 -0.55 8.60 8.96 2gx6A1 GLU 128 HA -0.24 0.29 1.05 -0.75 4.29 4.64 2gx6A1 GLU 128 HB2 -0.13 0.05 -0.01 -0.04 2.09 1.96 2gx6A1 GLU 128 HB3 -0.04 -0.08 0.16 -0.04 1.99 1.99 2gx6A1 GLU 128 HG2 -0.28 -0.11 -0.33 -0.04 2.34 1.58 2gx6A1 GLU 128 HG3 -0.47 0.07 -0.02 -0.04 2.34 1.87 2gx6A1 LEU 129 H -0.26 0.71 0.30 -0.55 8.37 8.57 2gx6A1 LEU 129 HA -0.13 0.32 1.00 -0.75 4.35 4.78 2gx6A1 LEU 129 HB2 -0.17 -0.16 0.22 -0.04 1.64 1.49 2gx6A1 LEU 129 HB3 -0.13 -0.10 0.05 -0.04 1.64 1.43 2gx6A1 LEU 129 HG -0.09 0.07 -0.19 -0.04 1.64 1.39 2gx6A1 LEU 129 HD13 -0.05 -0.02 -0.06 -0.04 0.93 0.76 2gx6A1 LEU 129 HD23 -0.06 0.04 -0.15 -0.04 0.89 0.67 2gx6A1 GLN 130 H -0.16 0.56 0.02 -0.55 8.47 8.34 2gx6A1 GLN 130 HA -0.27 0.08 0.50 -0.75 4.36 3.92 2gx6A1 GLN 130 HB2 -0.16 -0.04 -0.18 -0.04 2.15 1.74 2gx6A1 GLN 130 HB3 -0.17 -0.01 -0.03 -0.04 2.02 1.76 2gx6A1 GLN 130 HG2 -0.10 0.03 -0.15 -0.04 2.40 2.14 2gx6A1 GLN 130 HG3 -0.11 0.04 -0.26 -0.04 2.39 2.02 2gx6A1 GLN 130 HE21 -0.02 0.08 -0.09 -0.04 6.97 6.90 2gx6A1 GLN 130 HE22 -0.02 -0.03 -0.09 -0.04 7.69 7.50 2gx6A1 GLY 131 H -0.43 0.15 0.11 -0.55 8.43 7.71 2gx6A1 GLY 131 HA2 -1.09 -0.09 0.59 -0.51 4.01 2.90 2gx6A1 GLY 131 HA3 -2.10 0.05 0.34 -0.51 4.01 1.80 2gx6A1 ILE 132 H -1.16 0.12 0.07 -0.55 8.25 6.73 2gx6A1 ILE 132 HA -0.18 0.06 0.44 -0.75 4.18 3.74 2gx6A1 ILE 132 HB 0.07 -0.09 0.15 -0.04 1.89 1.98 2gx6A1 ILE 132 HG12 -0.01 0.10 0.07 -0.04 1.49 1.61 2gx6A1 ILE 132 HG13 -0.05 -0.27 -0.11 -0.04 1.21 0.74 2gx6A1 ILE 132 HG23 -0.00 0.07 -0.04 -0.04 0.93 0.92 2gx6A1 ILE 132 HD13 0.21 0.04 0.02 -0.04 0.88 1.12 2gx6A1 ALA 133 H -0.10 0.17 0.24 -0.55 8.40 8.16 2gx6A1 ALA 133 HA -0.07 0.01 0.51 -0.75 4.34 4.04 2gx6A1 ALA 133 HB3 -0.05 0.05 0.11 -0.04 1.41 1.48 2gx6A1 GLY 134 H -0.02 0.19 0.17 -0.55 8.43 8.22 2gx6A1 GLY 134 HA2 -0.01 0.07 0.36 -0.51 4.01 3.92 2gx6A1 GLY 134 HA3 -0.01 0.24 0.88 -0.51 4.01 4.61 2gx6A1 THR 135 H 0.00 0.42 -0.11 -0.55 8.28 8.04 2gx6A1 THR 135 HA 0.05 0.06 0.93 -0.75 4.39 4.67 2gx6A1 THR 135 HB 0.14 -0.05 0.09 -0.04 4.32 4.45 2gx6A1 THR 135 HG23 0.13 0.06 -0.09 -0.04 1.22 1.28 2gx6A1 SER 136 H 0.04 0.22 0.21 -0.55 8.46 8.39 2gx6A1 SER 136 HA 0.02 0.14 0.40 -0.75 4.49 4.30 2gx6A1 SER 136 HB2 0.02 0.11 0.08 -0.04 3.95 4.12 2gx6A1 SER 136 HB3 -0.00 0.11 0.12 -0.04 3.93 4.12 2gx6A1 ALA 137 H 0.10 0.07 -0.18 -0.55 8.40 7.84 2gx6A1 ALA 137 HA 0.04 0.10 0.38 -0.75 4.34 4.11 2gx6A1 ALA 137 HB3 0.04 0.04 0.09 -0.04 1.41 1.55 2gx6A1 ALA 138 H 0.13 0.11 -0.16 -0.55 8.40 7.93 2gx6A1 ALA 138 HA -0.02 0.03 0.39 -0.75 4.34 3.98 2gx6A1 ALA 138 HB3 -0.18 0.01 -0.01 -0.04 1.41 1.19 2gx6A1 ARG 139 H 0.01 0.46 -0.15 -0.55 8.46 8.23 2gx6A1 ARG 139 HA 0.00 0.06 0.31 -0.75 4.34 3.95 2gx6A1 ARG 139 HB2 0.02 0.02 0.10 -0.04 1.90 2.00 2gx6A1 ARG 139 HB3 0.01 0.06 -0.03 -0.04 1.80 1.81 2gx6A1 ARG 139 HG2 -0.00 0.03 -0.00 -0.04 1.67 1.65 2gx6A1 ARG 139 HG3 -0.00 0.05 0.02 -0.04 1.67 1.70 2gx6A1 ARG 139 HD2 0.01 -0.08 -0.27 -0.04 3.22 2.84 2gx6A1 ARG 139 HD3 0.00 0.09 -0.08 -0.04 3.22 3.20 2gx6A1 GLU 140 H 0.03 0.55 -0.18 -0.55 8.60 8.45 2gx6A1 GLU 140 HA 0.05 0.09 0.44 -0.75 4.29 4.12 2gx6A1 GLU 140 HB2 0.05 0.10 0.10 -0.04 2.09 2.29 2gx6A1 GLU 140 HB3 0.06 -0.21 -0.18 -0.04 1.99 1.62 2gx6A1 GLU 140 HG2 0.05 0.03 0.01 -0.04 2.34 2.38 2gx6A1 GLU 140 HG3 0.04 0.10 0.08 -0.04 2.34 2.52 2gx6A1 ARG 141 H 0.02 0.54 -0.07 -0.55 8.46 8.40 2gx6A1 ARG 141 HA 0.15 0.15 0.59 -0.75 4.34 4.48 2gx6A1 ARG 141 HB2 -0.04 0.00 0.17 -0.04 1.90 1.99 2gx6A1 ARG 141 HB3 0.15 -0.01 0.02 -0.04 1.80 1.92 2gx6A1 ARG 141 HG2 -0.21 0.00 0.07 -0.04 1.67 1.49 2gx6A1 ARG 141 HG3 -0.16 0.01 0.11 -0.04 1.67 1.59 2gx6A1 ARG 141 HD2 -0.31 -0.09 -0.02 -0.04 3.22 2.76 2gx6A1 ARG 141 HD3 -1.08 0.04 0.02 -0.04 3.22 2.17 2gx6A1 GLY 142 H 0.06 0.56 -0.17 -0.55 8.43 8.33 2gx6A1 GLY 142 HA2 0.20 0.01 0.39 -0.51 4.01 4.11 2gx6A1 GLY 142 HA3 0.08 0.07 0.26 -0.51 4.01 3.91 2gx6A1 GLU 143 H 0.08 0.44 -0.16 -0.55 8.60 8.41 2gx6A1 GLU 143 HA 0.07 0.06 0.47 -0.75 4.29 4.14 2gx6A1 GLU 143 HB2 0.05 0.03 0.12 -0.04 2.09 2.25 2gx6A1 GLU 143 HB3 0.06 0.02 0.19 -0.04 1.99 2.22 2gx6A1 GLU 143 HG2 0.04 -0.00 -0.26 -0.04 2.34 2.08 2gx6A1 GLU 143 HG3 0.04 0.02 0.02 -0.04 2.34 2.37 2gx6A1 GLY 144 H 0.13 0.56 -0.05 -0.55 8.43 8.52 2gx6A1 GLY 144 HA2 0.08 0.02 0.42 -0.51 4.01 4.02 2gx6A1 GLY 144 HA3 0.13 0.17 0.44 -0.51 4.01 4.24 2gx6A1 PHE 145 H 0.32 0.60 -0.17 -0.55 8.34 8.54 2gx6A1 PHE 145 HA 0.05 0.13 0.29 -0.75 4.62 4.34 2gx6A1 PHE 145 HB2 0.29 -0.01 0.08 -0.04 3.15 3.47 2gx6A1 PHE 145 HB3 0.21 0.05 0.09 -0.04 3.06 3.37 2gx6A1 PHE 145 HD2 -0.00 0.03 -0.07 -0.04 7.28 7.20 2gx6A1 PHE 145 HE2 0.09 0.03 -0.16 -0.04 7.38 7.31 2gx6A1 PHE 145 HZ -0.01 0.06 -0.19 -0.04 7.32 7.14 2gx6A1 GLN 146 H 0.18 0.56 -0.18 -0.55 8.47 8.47 2gx6A1 GLN 146 HA -0.03 -0.00 0.47 -0.75 4.36 4.04 2gx6A1 GLN 146 HB2 0.09 0.01 0.11 -0.04 2.15 2.33 2gx6A1 GLN 146 HB3 0.05 0.10 0.14 -0.04 2.02 2.28 2gx6A1 GLN 146 HG2 0.03 -0.02 -0.01 -0.04 2.40 2.37 2gx6A1 GLN 146 HG3 0.00 0.02 -0.12 -0.04 2.39 2.25 2gx6A1 GLN 146 HE21 -0.02 0.06 -0.03 -0.04 6.97 6.93 2gx6A1 GLN 146 HE22 -0.03 0.02 -0.02 -0.04 7.69 7.63 2gx6A1 GLN 147 H 0.01 0.41 -0.31 -0.55 8.47 8.03 2gx6A1 GLN 147 HA -0.06 0.03 0.47 -0.75 4.36 4.05 2gx6A1 GLN 147 HB2 -0.00 0.26 0.17 -0.04 2.15 2.53 2gx6A1 GLN 147 HB3 -0.04 -0.04 -0.00 -0.04 2.02 1.90 2gx6A1 GLN 147 HG2 -0.01 -0.02 0.03 -0.04 2.40 2.35 2gx6A1 GLN 147 HG3 0.01 0.19 0.07 -0.04 2.39 2.63 2gx6A1 GLN 147 HE21 0.02 -0.06 -0.06 -0.04 6.97 6.82 2gx6A1 GLN 147 HE22 0.01 0.01 -0.06 -0.04 7.69 7.62 2gx6A1 ALA 148 H -0.10 0.36 -0.19 -0.55 8.40 7.92 2gx6A1 ALA 148 HA -0.14 0.04 0.54 -0.75 4.34 4.02 2gx6A1 ALA 148 HB3 -0.07 0.05 0.05 -0.04 1.41 1.40 2gx6A1 VAL 149 H -0.30 0.53 -0.04 -0.55 8.24 7.88 2gx6A1 VAL 149 HA -0.26 -0.03 0.36 -0.75 4.13 3.43 2gx6A1 VAL 149 HB -0.10 0.06 0.17 -0.04 2.12 2.20 2gx6A1 VAL 149 HG13 0.03 0.02 -0.14 -0.04 0.97 0.84 2gx6A1 VAL 149 HG23 -0.21 0.02 -0.11 -0.04 0.95 0.61 2gx6A1 ALA 150 H -0.14 0.58 -0.16 -0.55 8.40 8.13 2gx6A1 ALA 150 HA -0.10 0.05 0.51 -0.75 4.34 4.04 2gx6A1 ALA 150 HB3 -0.09 0.01 0.10 -0.04 1.41 1.38 2gx6A1 ALA 151 H -0.26 0.53 -0.05 -0.55 8.40 8.08 2gx6A1 ALA 151 HA -0.26 0.01 0.38 -0.75 4.34 3.71 2gx6A1 ALA 151 HB3 -0.52 -0.01 0.11 -0.04 1.41 0.94 2gx6A1 HIS 152 H -0.48 0.52 -0.26 -0.55 8.41 7.64 2gx6A1 HIS 152 HA -0.22 0.15 0.65 -0.75 4.63 4.46 2gx6A1 HIS 152 HB2 -1.37 0.07 0.01 -0.04 3.26 1.93 2gx6A1 HIS 152 HB3 -0.43 -0.05 0.12 -0.04 3.20 2.80 2gx6A1 HIS 152 HD2 -0.37 -0.03 -0.06 -0.04 6.97 6.46 2gx6A1 HIS 152 HE1 -0.07 -0.00 -0.06 -0.04 7.75 7.58 2gx6A1 LYS 153 H -0.22 0.29 -0.40 -0.55 8.42 7.53 2gx6A1 LYS 153 HA -0.07 0.13 0.37 -0.75 4.32 3.99 2gx6A1 LYS 153 HB2 -0.01 -0.00 0.11 -0.04 1.87 1.92 2gx6A1 LYS 153 HB3 -0.02 -0.03 0.13 -0.04 1.79 1.83 2gx6A1 LYS 153 HG2 -0.07 -0.02 -0.30 -0.04 1.46 1.03 2gx6A1 LYS 153 HG3 -0.03 -0.05 -0.05 -0.04 1.46 1.28 2gx6A1 LYS 153 HD2 -0.05 -0.09 0.04 -0.04 1.69 1.55 2gx6A1 LYS 153 HD3 -0.10 0.26 0.08 -0.04 1.68 1.89 2gx6A1 LYS 153 HE2 -0.06 -0.08 -0.00 -0.04 2.99 2.81 2gx6A1 LYS 153 HE3 -0.06 -0.11 0.02 -0.04 2.99 2.81 2gx6A1 PHE 154 H -0.16 0.20 -0.07 -0.55 8.34 7.75 2gx6A1 PHE 154 HA 0.00 0.11 0.36 -0.75 4.62 4.34 2gx6A1 PHE 154 HB2 -0.07 -0.14 0.00 -0.04 3.15 2.90 2gx6A1 PHE 154 HB3 0.01 0.01 -0.20 -0.04 3.06 2.84 2gx6A1 PHE 154 HD2 -0.19 -0.05 -0.14 -0.04 7.28 6.87 2gx6A1 PHE 154 HE2 -0.12 0.05 -0.11 -0.04 7.38 7.16 2gx6A1 PHE 154 HZ -0.13 0.02 -0.09 -0.04 7.32 7.09 2gx6A1 ASN 155 H 0.14 0.66 0.04 -0.55 8.53 8.82 2gx6A1 ASN 155 HA 0.07 0.12 0.86 -0.75 4.76 5.06 2gx6A1 ASN 155 HB2 0.05 0.10 0.05 -0.04 2.88 3.04 2gx6A1 ASN 155 HB3 0.04 -0.04 0.16 -0.04 2.79 2.91 2gx6A1 ASN 155 HD21 0.03 -0.02 -0.05 -0.04 7.03 6.95 2gx6A1 ASN 155 HD22 0.03 0.04 -0.01 -0.04 7.74 7.77 2gx6A1 VAL 156 H 0.07 0.24 -0.05 -0.55 8.24 7.95 2gx6A1 VAL 156 HA 0.06 0.13 0.61 -0.75 4.13 4.18 2gx6A1 VAL 156 HB 0.06 0.02 0.09 -0.04 2.12 2.24 2gx6A1 VAL 156 HG13 0.09 -0.03 -0.22 -0.04 0.97 0.76 2gx6A1 VAL 156 HG23 0.16 0.02 -0.11 -0.04 0.95 0.97 2gx6A1 LEU 157 H -0.05 0.63 0.39 -0.55 8.37 8.79 2gx6A1 LEU 157 HA -0.14 0.09 0.54 -0.75 4.35 4.09 2gx6A1 LEU 157 HB2 -0.23 -0.01 0.04 -0.04 1.64 1.39 2gx6A1 LEU 157 HB3 -0.54 -0.01 -0.00 -0.04 1.64 1.04 2gx6A1 LEU 157 HG -0.04 0.08 0.03 -0.04 1.64 1.67 2gx6A1 LEU 157 HD13 0.02 -0.00 -0.19 -0.04 0.93 0.72 2gx6A1 LEU 157 HD23 0.01 -0.00 -0.10 -0.04 0.89 0.76 2gx6A1 ALA 158 H -0.11 0.27 0.13 -0.55 8.40 8.14 2gx6A1 ALA 158 HA -0.08 0.11 0.42 -0.75 4.34 4.04 2gx6A1 ALA 158 HB3 -0.15 0.04 -0.06 -0.04 1.41 1.19 2gx6A1 SER 159 H -0.02 0.31 0.05 -0.55 8.46 8.25 2gx6A1 SER 159 HA -0.04 0.27 0.73 -0.75 4.49 4.70 2gx6A1 SER 159 HB2 0.05 0.07 -0.08 -0.04 3.95 3.94 2gx6A1 SER 159 HB3 0.02 0.03 0.12 -0.04 3.93 4.06 2gx6A1 GLN 160 H -0.06 0.52 0.27 -0.55 8.47 8.65 2gx6A1 GLN 160 HA -0.04 0.00 0.85 -0.75 4.36 4.41 2gx6A1 GLN 160 HB2 -0.02 0.00 -0.13 -0.04 2.15 1.96 2gx6A1 GLN 160 HB3 -0.04 0.00 -0.03 -0.04 2.02 1.91 2gx6A1 GLN 160 HG2 -0.04 0.09 0.08 -0.04 2.40 2.49 2gx6A1 GLN 160 HG3 -0.02 0.00 0.10 -0.04 2.39 2.43 2gx6A1 GLN 160 HE21 -0.02 -0.03 0.00 -0.04 6.97 6.89 2gx6A1 GLN 160 HE22 -0.03 0.03 0.04 -0.04 7.69 7.69 2gx6A1 PRO 161 HA -0.15 0.08 0.67 -0.51 4.44 4.53 2gx6A1 PRO 161 HB2 -0.09 0.01 0.00 -0.04 2.28 2.16 2gx6A1 PRO 161 HB3 -0.15 0.14 0.07 -0.04 2.02 2.04 2gx6A1 PRO 161 HG2 -0.06 0.08 0.10 -0.04 2.03 2.11 2gx6A1 PRO 161 HG3 -0.08 0.03 0.07 -0.04 2.03 2.00 2gx6A1 PRO 161 HD2 -0.05 0.17 0.23 -0.04 3.68 3.99 2gx6A1 PRO 161 HD3 -0.05 0.20 0.24 -0.04 3.65 3.99 2gx6A1 ALA 162 H -0.16 0.53 0.25 -0.55 8.40 8.46 2gx6A1 ALA 162 HA -0.06 0.26 0.49 -0.75 4.34 4.27 2gx6A1 ALA 162 HB3 -0.06 -0.01 -0.10 -0.04 1.41 1.20 2gx6A1 ASP 163 H -0.20 0.25 -0.01 -0.55 8.40 7.90 2gx6A1 ASP 163 HA -0.22 -0.04 0.12 -0.75 4.63 3.74 2gx6A1 ASP 163 HB2 -0.03 0.08 -0.40 -0.04 2.71 2.32 2gx6A1 ASP 163 HB3 -0.02 0.05 0.11 -0.04 2.70 2.80 2gx6A1 PHE 164 H -0.19 0.13 -0.20 -0.55 8.34 7.53 2gx6A1 PHE 164 HA -0.05 -0.06 0.21 -0.75 4.62 3.96 2gx6A1 PHE 164 HB2 0.01 0.26 -0.23 -0.04 3.15 3.14 2gx6A1 PHE 164 HB3 0.01 -0.03 0.20 -0.04 3.06 3.21 2gx6A1 PHE 164 HD2 -0.05 0.07 -0.06 -0.04 7.28 7.19 2gx6A1 PHE 164 HE2 -0.12 0.16 -0.04 -0.04 7.38 7.33 2gx6A1 PHE 164 HZ -0.14 -0.02 -0.05 -0.04 7.32 7.07 2gx6A1 ASP 165 H 0.04 0.45 -0.27 -0.55 8.40 8.07 2gx6A1 ASP 165 HA 0.07 0.13 0.74 -0.75 4.63 4.81 2gx6A1 ASP 165 HB2 0.05 0.21 -0.08 -0.04 2.71 2.85 2gx6A1 ASP 165 HB3 0.02 0.06 0.04 -0.04 2.70 2.78 2gx6A1 ARG 166 H 0.04 0.23 0.13 -0.55 8.46 8.30 2gx6A1 ARG 166 HA 0.02 0.21 0.16 -0.75 4.34 3.98 2gx6A1 ARG 166 HB2 0.03 -0.08 0.13 -0.04 1.90 1.94 2gx6A1 ARG 166 HB3 0.02 0.01 0.14 -0.04 1.80 1.93 2gx6A1 ARG 166 HG2 0.01 0.02 -0.22 -0.04 1.67 1.45 2gx6A1 ARG 166 HG3 0.01 0.07 0.04 -0.04 1.67 1.75 2gx6A1 ARG 166 HD2 0.01 0.04 -0.04 -0.04 3.22 3.20 2gx6A1 ARG 166 HD3 0.01 0.10 -0.10 -0.04 3.22 3.19 2gx6A1 ILE 167 H 0.02 0.11 0.01 -0.55 8.25 7.84 2gx6A1 ILE 167 HA 0.01 0.18 0.47 -0.75 4.18 4.09 2gx6A1 ILE 167 HB 0.01 -0.04 0.08 -0.04 1.89 1.90 2gx6A1 ILE 167 HG12 0.01 -0.11 0.07 -0.04 1.49 1.42 2gx6A1 ILE 167 HG13 0.01 0.10 0.03 -0.04 1.21 1.31 2gx6A1 ILE 167 HG23 0.00 0.04 -0.09 -0.04 0.93 0.84 2gx6A1 ILE 167 HD13 0.01 0.03 -0.01 -0.04 0.88 0.87 2gx6A1 LYS 168 H 0.01 0.02 -0.25 -0.55 8.42 7.65 2gx6A1 LYS 168 HA -0.01 0.00 0.48 -0.75 4.32 4.04 2gx6A1 LYS 168 HB2 -0.01 0.00 0.08 -0.04 1.87 1.90 2gx6A1 LYS 168 HB3 -0.02 0.00 0.01 -0.04 1.79 1.73 2gx6A1 LYS 168 HG2 -0.01 0.07 -0.00 -0.04 1.46 1.48 2gx6A1 LYS 168 HG3 0.00 -0.08 -0.01 -0.04 1.46 1.33 2gx6A1 LYS 168 HD2 0.00 -0.03 -0.07 -0.04 1.69 1.55 2gx6A1 LYS 168 HD3 -0.02 -0.04 -0.19 -0.04 1.68 1.39 2gx6A1 LYS 168 HE2 -0.01 0.05 -0.04 -0.04 2.99 2.95 2gx6A1 LYS 168 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.93 2gx6A1 GLY 169 H -0.01 0.46 -0.22 -0.55 8.43 8.13 2gx6A1 GLY 169 HA2 -0.03 -0.02 0.41 -0.51 4.01 3.86 2gx6A1 GLY 169 HA3 -0.02 0.06 0.36 -0.51 4.01 3.91 2gx6A1 LEU 170 H -0.00 0.43 -0.18 -0.55 8.37 8.07 2gx6A1 LEU 170 HA -0.00 0.17 0.29 -0.75 4.35 4.05 2gx6A1 LEU 170 HB2 0.00 -0.01 0.17 -0.04 1.64 1.76 2gx6A1 LEU 170 HB3 0.00 0.04 0.23 -0.04 1.64 1.86 2gx6A1 LEU 170 HG 0.00 0.01 -0.26 -0.04 1.64 1.35 2gx6A1 LEU 170 HD13 0.00 -0.00 -0.05 -0.04 0.93 0.84 2gx6A1 LEU 170 HD23 0.00 -0.01 -0.00 -0.04 0.89 0.84 2gx6A1 ASN 171 H -0.00 0.48 -0.03 -0.55 8.53 8.43 2gx6A1 ASN 171 HA -0.00 0.07 0.44 -0.75 4.76 4.52 2gx6A1 ASN 171 HB2 -0.01 -0.04 0.19 -0.04 2.88 2.98 2gx6A1 ASN 171 HB3 -0.01 0.01 0.04 -0.04 2.79 2.79 2gx6A1 ASN 171 HD21 -0.00 -0.01 -0.03 -0.04 7.03 6.94 2gx6A1 ASN 171 HD22 -0.00 -0.09 -0.05 -0.04 7.74 7.55 2gx6A1 VAL 172 H -0.01 0.79 0.03 -0.55 8.24 8.50 2gx6A1 VAL 172 HA -0.01 0.03 0.45 -0.75 4.13 3.85 2gx6A1 VAL 172 HB -0.03 -0.01 0.07 -0.04 2.12 2.11 2gx6A1 VAL 172 HG13 -0.03 -0.00 -0.21 -0.04 0.97 0.69 2gx6A1 VAL 172 HG23 -0.03 0.04 0.06 -0.04 0.95 0.98 2gx6A1 MET 173 H -0.01 0.60 -0.16 -0.55 8.47 8.35 2gx6A1 MET 173 HA -0.00 -0.01 0.35 -0.75 4.52 4.11 2gx6A1 MET 173 HB2 -0.01 -0.03 0.10 -0.04 2.15 2.16 2gx6A1 MET 173 HB3 -0.01 0.08 0.10 -0.04 2.03 2.16 2gx6A1 MET 173 HG2 -0.00 0.07 -0.02 -0.04 2.63 2.64 2gx6A1 MET 173 HG3 0.00 0.03 -0.18 -0.04 2.56 2.37 2gx6A1 MET 173 HE3 0.01 0.01 -0.12 -0.04 2.10 1.96 2gx6A1 GLN 174 H -0.00 0.60 -0.14 -0.55 8.47 8.38 2gx6A1 GLN 174 HA 0.00 0.08 0.42 -0.75 4.36 4.11 2gx6A1 GLN 174 HB2 -0.00 0.23 0.19 -0.04 2.15 2.53 2gx6A1 GLN 174 HB3 -0.00 -0.02 0.08 -0.04 2.02 2.04 2gx6A1 GLN 174 HG2 -0.00 -0.02 -0.04 -0.04 2.40 2.30 2gx6A1 GLN 174 HG3 0.00 0.05 0.06 -0.04 2.39 2.45 2gx6A1 GLN 174 HE21 0.00 -0.03 -0.02 -0.04 6.97 6.87 2gx6A1 GLN 174 HE22 0.00 0.08 0.02 -0.04 7.69 7.74 2gx6A1 ASN 175 H 0.00 0.50 -0.13 -0.55 8.53 8.35 2gx6A1 ASN 175 HA -0.00 0.00 0.43 -0.75 4.76 4.43 2gx6A1 ASN 175 HB2 -0.00 0.00 0.14 -0.04 2.88 2.98 2gx6A1 ASN 175 HB3 0.00 0.12 0.18 -0.04 2.79 3.06 2gx6A1 ASN 175 HD21 -0.01 -0.01 0.00 -0.04 7.03 6.97 2gx6A1 ASN 175 HD22 -0.00 0.00 0.03 -0.04 7.74 7.73 2gx6A1 LEU 176 H 0.02 0.60 -0.10 -0.55 8.37 8.35 2gx6A1 LEU 176 HA 0.09 0.02 0.40 -0.75 4.35 4.11 2gx6A1 LEU 176 HB2 0.03 0.06 0.07 -0.04 1.64 1.76 2gx6A1 LEU 176 HB3 0.10 0.00 -0.06 -0.04 1.64 1.65 2gx6A1 LEU 176 HG 0.03 0.07 -0.01 -0.04 1.64 1.69 2gx6A1 LEU 176 HD13 -0.01 -0.04 -0.16 -0.04 0.93 0.67 2gx6A1 LEU 176 HD23 0.10 -0.01 -0.05 -0.04 0.89 0.90 2gx6A1 LEU 177 H 0.02 0.56 -0.28 -0.55 8.37 8.13 2gx6A1 LEU 177 HA 0.05 0.11 0.27 -0.75 4.35 4.02 2gx6A1 LEU 177 HB2 0.01 0.15 0.11 -0.04 1.64 1.87 2gx6A1 LEU 177 HB3 0.01 0.00 -0.12 -0.04 1.64 1.49 2gx6A1 LEU 177 HG 0.02 -0.06 -0.06 -0.04 1.64 1.50 2gx6A1 LEU 177 HD13 0.01 -0.02 -0.23 -0.04 0.93 0.65 2gx6A1 LEU 177 HD23 0.02 0.02 -0.03 -0.04 0.89 0.86 2gx6A1 THR 178 H -0.00 0.28 -0.32 -0.55 8.28 7.69 2gx6A1 THR 178 HA -0.02 0.00 0.49 -0.75 4.39 4.10 2gx6A1 THR 178 HB -0.03 0.00 0.10 -0.04 4.32 4.35 2gx6A1 THR 178 HG23 -0.02 -0.02 -0.01 -0.04 1.22 1.13 2gx6A1 ALA 179 H -0.07 0.25 -0.19 -0.55 8.40 7.84 2gx6A1 ALA 179 HA -0.20 0.07 0.51 -0.75 4.34 3.96 2gx6A1 ALA 179 HB3 -0.35 -0.00 0.09 -0.04 1.41 1.11 2gx6A1 HIS 180 H -0.02 0.20 -0.50 -0.55 8.41 7.55 2gx6A1 HIS 180 HA 0.00 0.16 0.85 -0.75 4.63 4.88 2gx6A1 HIS 180 HB2 0.00 0.04 0.05 -0.04 3.26 3.31 2gx6A1 HIS 180 HB3 0.00 -0.09 0.03 -0.04 3.20 3.10 2gx6A1 HIS 180 HD2 -0.00 -0.05 -0.04 -0.04 6.97 6.84 2gx6A1 HIS 180 HE1 0.01 -0.02 0.02 -0.04 7.75 7.72 2gx6A1 PRO 181 HA 0.03 0.11 0.49 -0.51 4.44 4.56 2gx6A1 PRO 181 HB2 0.01 0.00 0.03 -0.04 2.28 2.28 2gx6A1 PRO 181 HB3 0.00 0.08 0.13 -0.04 2.02 2.20 2gx6A1 PRO 181 HG2 0.01 -0.03 0.02 -0.04 2.03 1.99 2gx6A1 PRO 181 HG3 -0.01 0.04 0.04 -0.04 2.03 2.06 2gx6A1 PRO 181 HD2 -0.00 0.11 0.02 -0.04 3.68 3.77 2gx6A1 PRO 181 HD3 -0.03 0.25 -0.37 -0.04 3.65 3.46 2gx6A1 ASP 182 H 0.05 0.05 -0.36 -0.55 8.40 7.60 2gx6A1 ASP 182 HA 0.02 0.19 0.60 -0.75 4.63 4.69 2gx6A1 ASP 182 HB2 0.03 0.01 0.11 -0.04 2.71 2.81 2gx6A1 ASP 182 HB3 0.03 -0.01 0.04 -0.04 2.70 2.72 2gx6A1 VAL 183 H 0.04 0.32 -0.41 -0.55 8.24 7.64 2gx6A1 VAL 183 HA 0.00 -0.05 0.22 -0.75 4.13 3.54 2gx6A1 VAL 183 HB 0.02 0.03 -0.00 -0.04 2.12 2.13 2gx6A1 VAL 183 HG13 0.02 0.01 -0.09 -0.04 0.97 0.87 2gx6A1 VAL 183 HG23 -0.01 -0.06 -0.17 -0.04 0.95 0.66 2gx6A1 GLN 184 H -0.02 0.54 0.38 -0.55 8.47 8.82 2gx6A1 GLN 184 HA -0.01 0.19 0.96 -0.75 4.36 4.75 2gx6A1 GLN 184 HB2 -0.04 -0.01 0.26 -0.04 2.15 2.31 2gx6A1 GLN 184 HB3 -0.03 -0.01 0.15 -0.04 2.02 2.09 2gx6A1 GLN 184 HG2 -0.01 -0.00 0.07 -0.04 2.40 2.42 2gx6A1 GLN 184 HG3 -0.00 0.23 -0.09 -0.04 2.39 2.49 2gx6A1 GLN 184 HE21 0.01 -0.00 0.05 -0.04 6.97 6.98 2gx6A1 GLN 184 HE22 0.01 0.03 0.05 -0.04 7.69 7.73 2gx6A1 ALA 185 H -0.04 0.29 0.35 -0.55 8.40 8.45 2gx6A1 ALA 185 HA -0.02 0.29 0.80 -0.75 4.34 4.66 2gx6A1 ALA 185 HB3 -0.08 0.00 -0.09 -0.04 1.41 1.20 2gx6A1 VAL 186 H 0.01 0.81 0.35 -0.55 8.24 8.87 2gx6A1 VAL 186 HA -0.01 0.29 1.11 -0.75 4.13 4.76 2gx6A1 VAL 186 HB 0.01 -0.01 0.11 -0.04 2.12 2.18 2gx6A1 VAL 186 HG13 -0.04 -0.05 -0.26 -0.04 0.97 0.58 2gx6A1 VAL 186 HG23 -0.01 0.01 -0.21 -0.04 0.95 0.70 2gx6A1 PHE 187 H -0.04 0.51 0.26 -0.55 8.34 8.52 2gx6A1 PHE 187 HA -0.08 0.23 0.88 -0.75 4.62 4.90 2gx6A1 PHE 187 HB2 -0.28 0.07 -0.01 -0.04 3.15 2.89 2gx6A1 PHE 187 HB3 -0.91 -0.04 0.13 -0.04 3.06 2.20 2gx6A1 PHE 187 HD2 -0.57 0.10 -0.06 -0.04 7.28 6.71 2gx6A1 PHE 187 HE2 0.14 0.04 -0.20 -0.04 7.38 7.32 2gx6A1 PHE 187 HZ 0.15 -0.09 -0.14 -0.04 7.32 7.19 2gx6A1 ALA 188 H 0.00 0.80 0.21 -0.55 8.40 8.86 2gx6A1 ALA 188 HA -0.31 0.10 0.92 -0.75 4.34 4.30 2gx6A1 ALA 188 HB3 -0.07 -0.02 -0.03 -0.04 1.41 1.25 2gx6A1 GLN 189 H -0.41 0.66 0.21 -0.55 8.47 8.38 2gx6A1 GLN 189 HA -0.50 0.17 0.28 -0.75 4.36 3.55 2gx6A1 GLN 189 HB2 -0.26 -0.08 0.10 -0.04 2.15 1.87 2gx6A1 GLN 189 HB3 -0.13 -0.09 0.13 -0.04 2.02 1.89 2gx6A1 GLN 189 HG2 -0.54 0.05 -0.08 -0.04 2.40 1.79 2gx6A1 GLN 189 HG3 -0.72 0.21 -0.07 -0.04 2.39 1.77 2gx6A1 GLN 189 HE21 -0.08 0.04 -0.02 -0.04 6.97 6.87 2gx6A1 GLN 189 HE22 -0.13 0.13 -0.18 -0.04 7.69 7.46 2gx6A1 ASN 190 H -0.01 0.15 -0.34 -0.55 8.53 7.78 2gx6A1 ASN 190 HA 0.11 0.25 0.19 -0.75 4.76 4.54 2gx6A1 ASN 190 HB2 -0.12 -0.00 0.31 -0.04 2.88 3.03 2gx6A1 ASN 190 HB3 -0.08 0.18 0.19 -0.04 2.79 3.03 2gx6A1 ASN 190 HD21 0.08 0.42 0.12 -0.04 7.03 7.60 2gx6A1 ASN 190 HD22 -0.19 0.03 0.11 -0.04 7.74 7.65 2gx6A1 ASP 191 H 0.03 0.41 0.34 -0.55 8.40 8.63 2gx6A1 ASP 191 HA 0.04 0.14 0.43 -0.75 4.63 4.49 2gx6A1 ASP 191 HB2 0.02 -0.04 0.21 -0.04 2.71 2.86 2gx6A1 ASP 191 HB3 0.02 0.07 0.04 -0.04 2.70 2.79 2gx6A1 GLU 192 H 0.02 0.08 -0.09 -0.55 8.60 8.07 2gx6A1 GLU 192 HA 0.03 0.14 0.39 -0.75 4.29 4.10 2gx6A1 GLU 192 HB2 0.06 0.03 -0.04 -0.04 2.09 2.09 2gx6A1 GLU 192 HB3 0.04 -0.07 -0.06 -0.04 1.99 1.86 2gx6A1 GLU 192 HG2 0.03 -0.13 0.13 -0.04 2.34 2.32 2gx6A1 GLU 192 HG3 0.05 0.12 0.15 -0.04 2.34 2.61 2gx6A1 MET 193 H 0.04 0.03 -0.38 -0.55 8.47 7.62 2gx6A1 MET 193 HA 0.00 0.15 0.46 -0.75 4.52 4.38 2gx6A1 MET 193 HB2 -0.02 -0.03 -0.04 -0.04 2.15 2.02 2gx6A1 MET 193 HB3 -0.05 0.11 -0.05 -0.04 2.03 1.99 2gx6A1 MET 193 HG2 -0.01 0.27 -0.03 -0.04 2.63 2.81 2gx6A1 MET 193 HG3 0.05 -0.17 -0.26 -0.04 2.56 2.14 2gx6A1 MET 193 HE3 -0.11 0.00 -0.27 -0.04 2.10 1.68 2gx6A1 ALA 194 H 0.01 0.29 -0.30 -0.55 8.40 7.86 2gx6A1 ALA 194 HA -0.00 0.09 0.40 -0.75 4.34 4.07 2gx6A1 ALA 194 HB3 0.03 0.04 0.03 -0.04 1.41 1.47 2gx6A1 LEU 195 H 0.01 0.44 -0.14 -0.55 8.37 8.15 2gx6A1 LEU 195 HA 0.01 0.13 0.40 -0.75 4.35 4.13 2gx6A1 LEU 195 HB2 0.02 0.00 0.10 -0.04 1.64 1.72 2gx6A1 LEU 195 HB3 0.01 0.04 -0.00 -0.04 1.64 1.65 2gx6A1 LEU 195 HG 0.02 0.07 0.01 -0.04 1.64 1.70 2gx6A1 LEU 195 HD13 0.02 -0.06 -0.17 -0.04 0.93 0.67 2gx6A1 LEU 195 HD23 0.01 0.04 -0.09 -0.04 0.89 0.81 2gx6A1 GLY 196 H 0.01 0.32 -0.16 -0.55 8.43 8.05 2gx6A1 GLY 196 HA2 0.01 0.05 0.58 -0.51 4.01 4.14 2gx6A1 GLY 196 HA3 0.00 0.11 0.33 -0.51 4.01 3.95 2gx6A1 ALA 197 H -0.00 0.56 -0.17 -0.55 8.40 8.24 2gx6A1 ALA 197 HA -0.01 0.05 0.36 -0.75 4.34 3.99 2gx6A1 ALA 197 HB3 -0.01 0.03 0.03 -0.04 1.41 1.42 2gx6A1 LEU 198 H 0.01 0.55 -0.15 -0.55 8.37 8.23 2gx6A1 LEU 198 HA 0.01 0.12 0.38 -0.75 4.35 4.10 2gx6A1 LEU 198 HB2 0.01 -0.03 0.10 -0.04 1.64 1.67 2gx6A1 LEU 198 HB3 0.01 0.01 -0.06 -0.04 1.64 1.56 2gx6A1 LEU 198 HG 0.01 0.02 0.01 -0.04 1.64 1.64 2gx6A1 LEU 198 HD13 0.02 -0.06 -0.23 -0.04 0.93 0.61 2gx6A1 LEU 198 HD23 0.02 0.03 0.06 -0.04 0.89 0.96 2gx6A1 ARG 199 H 0.01 0.28 -0.42 -0.55 8.46 7.77 2gx6A1 ARG 199 HA 0.01 0.05 0.50 -0.75 4.34 4.15 2gx6A1 ARG 199 HB2 0.01 0.01 0.12 -0.04 1.90 1.99 2gx6A1 ARG 199 HB3 0.00 0.11 0.18 -0.04 1.80 2.05 2gx6A1 ARG 199 HG2 0.00 0.01 -0.21 -0.04 1.67 1.44 2gx6A1 ARG 199 HG3 0.00 -0.00 0.03 -0.04 1.67 1.66 2gx6A1 ARG 199 HD2 0.01 -0.01 0.00 -0.04 3.22 3.17 2gx6A1 ARG 199 HD3 0.00 -0.07 0.01 -0.04 3.22 3.12 2gx6A1 ALA 200 H 0.00 0.46 -0.04 -0.55 8.40 8.28 2gx6A1 ALA 200 HA 0.00 0.01 0.52 -0.75 4.34 4.12 2gx6A1 ALA 200 HB3 0.00 0.04 0.06 -0.04 1.41 1.46 2gx6A1 LEU 201 H 0.00 0.55 -0.22 -0.55 8.37 8.15 2gx6A1 LEU 201 HA 0.01 0.06 0.32 -0.75 4.35 3.98 2gx6A1 LEU 201 HB2 0.01 0.07 0.03 -0.04 1.64 1.71 2gx6A1 LEU 201 HB3 0.01 0.12 -0.26 -0.04 1.64 1.47 2gx6A1 LEU 201 HG 0.00 -0.01 -0.07 -0.04 1.64 1.52 2gx6A1 LEU 201 HD13 0.01 -0.00 -0.19 -0.04 0.93 0.70 2gx6A1 LEU 201 HD23 0.01 0.02 -0.08 -0.04 0.89 0.79 2gx6A1 GLN 202 H 0.01 0.55 -0.13 -0.55 8.47 8.34 2gx6A1 GLN 202 HA 0.01 -0.03 0.44 -0.75 4.36 4.03 2gx6A1 GLN 202 HB2 0.00 -0.03 0.05 -0.04 2.15 2.13 2gx6A1 GLN 202 HB3 0.01 0.04 0.12 -0.04 2.02 2.14 2gx6A1 GLN 202 HG2 0.01 0.10 0.36 -0.04 2.40 2.82 2gx6A1 GLN 202 HG3 0.00 0.04 0.15 -0.04 2.39 2.54 2gx6A1 GLN 202 HE21 0.00 -0.06 0.00 -0.04 6.97 6.87 2gx6A1 GLN 202 HE22 0.00 0.05 0.03 -0.04 7.69 7.73 2gx6A1 THR 203 H 0.00 0.46 -0.24 -0.55 8.28 7.96 2gx6A1 THR 203 HA 0.00 -0.01 0.28 -0.75 4.39 3.91 2gx6A1 THR 203 HB 0.00 0.13 0.14 -0.04 4.32 4.56 2gx6A1 THR 203 HG23 0.00 -0.03 -0.04 -0.04 1.22 1.12 2gx6A1 ALA 204 H 0.00 0.31 -0.39 -0.55 8.40 7.77 2gx6A1 ALA 204 HA 0.00 0.07 0.52 -0.75 4.34 4.18 2gx6A1 ALA 204 HB3 0.00 -0.01 0.07 -0.04 1.41 1.44 2gx6A1 GLY 205 H 0.00 0.46 -0.33 -0.55 8.43 8.02 2gx6A1 GLY 205 HA2 0.00 0.00 0.33 -0.51 4.01 3.84 2gx6A1 GLY 205 HA3 0.00 0.07 0.56 -0.51 4.01 4.14 2gx6A1 LYS 206 H 0.00 0.63 -0.03 -0.55 8.42 8.47 2gx6A1 LYS 206 HA 0.00 0.19 0.87 -0.75 4.32 4.63 2gx6A1 LYS 206 HB2 0.01 -0.05 0.09 -0.04 1.87 1.87 2gx6A1 LYS 206 HB3 0.01 0.00 0.15 -0.04 1.79 1.91 2gx6A1 LYS 206 HG2 0.01 0.09 -0.32 -0.04 1.46 1.20 2gx6A1 LYS 206 HG3 0.01 0.03 -0.30 -0.04 1.46 1.15 2gx6A1 LYS 206 HD2 0.01 -0.08 0.01 -0.04 1.69 1.59 2gx6A1 LYS 206 HD3 0.01 0.06 0.04 -0.04 1.68 1.75 2gx6A1 LYS 206 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2gx6A1 LYS 206 HE3 0.01 -0.04 0.11 -0.04 2.99 3.02 2gx6A1 SER 207 H 0.01 0.20 -0.23 -0.55 8.46 7.89 2gx6A1 SER 207 HA 0.01 0.08 0.28 -0.75 4.49 4.11 2gx6A1 SER 207 HB2 0.01 0.04 0.09 -0.04 3.95 4.05 2gx6A1 SER 207 HB3 0.01 -0.05 0.03 -0.04 3.93 3.88 2gx6A1 ASP 208 H 0.01 0.04 -0.46 -0.55 8.40 7.44 2gx6A1 ASP 208 HA 0.01 0.11 0.58 -0.75 4.63 4.57 2gx6A1 ASP 208 HB2 0.00 0.02 0.06 -0.04 2.71 2.75 2gx6A1 ASP 208 HB3 0.00 -0.04 0.04 -0.04 2.70 2.66 2gx6A1 VAL 209 H 0.01 0.36 -0.26 -0.55 8.24 7.80 2gx6A1 VAL 209 HA -0.00 0.16 0.49 -0.75 4.13 4.03 2gx6A1 VAL 209 HB 0.01 -0.00 0.03 -0.04 2.12 2.11 2gx6A1 VAL 209 HG13 0.00 -0.04 -0.49 -0.04 0.97 0.40 2gx6A1 VAL 209 HG23 0.00 0.02 -0.02 -0.04 0.95 0.91 2gx6A1 MET 210 H -0.00 0.45 0.31 -0.55 8.47 8.68 2gx6A1 MET 210 HA 0.02 0.12 0.56 -0.75 4.52 4.46 2gx6A1 MET 210 HB2 0.03 -0.03 0.10 -0.04 2.15 2.20 2gx6A1 MET 210 HB3 -0.00 0.17 0.19 -0.04 2.03 2.34 2gx6A1 MET 210 HG2 -0.02 0.02 0.16 -0.04 2.63 2.76 2gx6A1 MET 210 HG3 0.03 -0.13 -0.29 -0.04 2.56 2.14 2gx6A1 MET 210 HE3 0.04 -0.02 -0.18 -0.04 2.10 1.90 2gx6A1 VAL 211 H 0.05 0.18 0.29 -0.55 8.24 8.21 2gx6A1 VAL 211 HA 0.05 0.25 1.08 -0.75 4.13 4.76 2gx6A1 VAL 211 HB 0.03 0.01 0.14 -0.04 2.12 2.27 2gx6A1 VAL 211 HG13 0.03 -0.04 -0.10 -0.04 0.97 0.82 2gx6A1 VAL 211 HG23 0.02 0.06 -0.24 -0.04 0.95 0.75 2gx6A1 VAL 212 H 0.12 0.69 0.37 -0.55 8.24 8.86 2gx6A1 VAL 212 HA 0.11 0.23 1.00 -0.75 4.13 4.71 2gx6A1 VAL 212 HB 0.23 -0.05 0.17 -0.04 2.12 2.43 2gx6A1 VAL 212 HG13 0.12 0.01 -0.18 -0.04 0.97 0.88 2gx6A1 VAL 212 HG23 0.19 0.03 -0.17 -0.04 0.95 0.96 2gx6A1 GLY 213 H 0.09 0.64 0.28 -0.55 8.43 8.89 2gx6A1 GLY 213 HA2 0.12 0.31 0.82 -0.51 4.01 4.75 2gx6A1 GLY 213 HA3 0.09 -0.14 0.31 -0.51 4.01 3.75 2gx6A1 PHE 214 H 0.15 0.07 -0.08 -0.55 8.34 7.93 2gx6A1 PHE 214 HA 0.05 0.02 0.75 -0.75 4.62 4.68 2gx6A1 PHE 214 HB2 0.11 0.16 -0.42 -0.04 3.15 2.96 2gx6A1 PHE 214 HB3 -0.03 -0.03 -0.17 -0.04 3.06 2.80 2gx6A1 PHE 214 HD2 0.14 0.01 -0.11 -0.04 7.28 7.28 2gx6A1 PHE 214 HE2 0.07 -0.05 -0.18 -0.04 7.38 7.18 2gx6A1 PHE 214 HZ 0.06 -0.06 -0.05 -0.04 7.32 7.23 2gx6A1 ASP 215 H -0.14 0.88 0.20 -0.55 8.40 8.78 2gx6A1 ASP 215 HA 0.07 0.07 0.34 -0.75 4.63 4.35 2gx6A1 ASP 215 HB2 0.03 -0.12 0.54 -0.04 2.71 3.13 2gx6A1 ASP 215 HB3 0.12 0.01 0.08 -0.04 2.70 2.87 2gx6A1 GLY 216 H -0.01 0.04 -0.14 -0.55 8.43 7.77 2gx6A1 GLY 216 HA2 -0.02 0.05 0.19 -0.51 4.01 3.73 2gx6A1 GLY 216 HA3 -0.02 0.17 0.49 -0.51 4.01 4.14 2gx6A1 THR 217 H 0.03 -0.11 -0.06 -0.55 8.28 7.59 2gx6A1 THR 217 HA 0.02 0.25 0.48 -0.75 4.39 4.39 2gx6A1 THR 217 HB 0.02 0.10 0.14 -0.04 4.32 4.54 2gx6A1 THR 217 HG23 0.06 -0.00 0.06 -0.04 1.22 1.29 2gx6A1 PRO 218 HA -0.00 0.17 0.50 -0.51 4.44 4.60 2gx6A1 PRO 218 HB2 0.00 -0.01 0.08 -0.04 2.28 2.32 2gx6A1 PRO 218 HB3 -0.00 0.15 0.09 -0.04 2.02 2.21 2gx6A1 PRO 218 HG2 -0.00 0.08 0.09 -0.04 2.03 2.16 2gx6A1 PRO 218 HG3 -0.01 0.14 0.09 -0.04 2.03 2.22 2gx6A1 PRO 218 HD2 0.01 -0.00 0.21 -0.04 3.68 3.85 2gx6A1 PRO 218 HD3 -0.00 0.19 0.19 -0.04 3.65 3.98 2gx6A1 ASP 219 H 0.01 0.05 -0.19 -0.55 8.40 7.72 2gx6A1 ASP 219 HA 0.01 0.20 0.35 -0.75 4.63 4.43 2gx6A1 ASP 219 HB2 0.01 -0.15 0.04 -0.04 2.71 2.58 2gx6A1 ASP 219 HB3 0.01 0.08 -0.07 -0.04 2.70 2.68 2gx6A1 GLY 220 H 0.01 -0.09 -0.28 -0.55 8.43 7.52 2gx6A1 GLY 220 HA2 0.01 0.11 0.45 -0.51 4.01 4.07 2gx6A1 GLY 220 HA3 0.01 -0.16 0.23 -0.51 4.01 3.58 2gx6A1 GLU 221 H -0.00 0.62 -0.21 -0.55 8.60 8.46 2gx6A1 GLU 221 HA -0.01 0.04 0.32 -0.75 4.29 3.89 2gx6A1 GLU 221 HB2 -0.01 0.08 0.09 -0.04 2.09 2.21 2gx6A1 GLU 221 HB3 -0.01 0.04 -0.04 -0.04 1.99 1.94 2gx6A1 GLU 221 HG2 -0.01 -0.06 -0.20 -0.04 2.34 2.03 2gx6A1 GLU 221 HG3 -0.01 0.03 -0.10 -0.04 2.34 2.21 2gx6A1 LYS 222 H -0.00 0.53 -0.14 -0.55 8.42 8.26 2gx6A1 LYS 222 HA -0.00 0.07 0.46 -0.75 4.32 4.10 2gx6A1 LYS 222 HB2 0.00 0.02 0.09 -0.04 1.87 1.93 2gx6A1 LYS 222 HB3 0.00 0.02 0.14 -0.04 1.79 1.90 2gx6A1 LYS 222 HG2 0.00 0.01 -0.29 -0.04 1.46 1.14 2gx6A1 LYS 222 HG3 0.00 0.02 -0.00 -0.04 1.46 1.44 2gx6A1 LYS 222 HD2 0.00 -0.01 -0.03 -0.04 1.69 1.61 2gx6A1 LYS 222 HD3 0.00 -0.06 -0.04 -0.04 1.68 1.55 2gx6A1 LYS 222 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.91 2gx6A1 LYS 222 HE3 0.00 0.01 -0.06 -0.04 2.99 2.90 2gx6A1 ALA 223 H 0.00 0.35 -0.27 -0.55 8.40 7.94 2gx6A1 ALA 223 HA 0.01 0.07 0.39 -0.75 4.34 4.04 2gx6A1 ALA 223 HB3 0.01 0.00 0.06 -0.04 1.41 1.44 2gx6A1 VAL 224 H 0.00 0.41 -0.24 -0.55 8.24 7.86 2gx6A1 VAL 224 HA 0.01 0.34 0.54 -0.75 4.13 4.26 2gx6A1 VAL 224 HB -0.01 0.06 0.06 -0.04 2.12 2.19 2gx6A1 VAL 224 HG13 -0.02 0.01 -0.39 -0.04 0.97 0.53 2gx6A1 VAL 224 HG23 -0.02 0.03 -0.19 -0.04 0.95 0.73 2gx6A1 ASN 225 H -0.00 0.44 -0.11 -0.55 8.53 8.31 2gx6A1 ASN 225 HA -0.00 0.03 0.44 -0.75 4.76 4.47 2gx6A1 ASN 225 HB2 -0.00 0.05 0.16 -0.04 2.88 3.04 2gx6A1 ASN 225 HB3 -0.00 -0.01 0.03 -0.04 2.79 2.77 2gx6A1 ASN 225 HD21 -0.01 -0.05 -0.02 -0.04 7.03 6.91 2gx6A1 ASN 225 HD22 -0.00 -0.02 -0.01 -0.04 7.74 7.67 2gx6A1 ASP 226 H 0.00 0.47 -0.19 -0.55 8.40 8.13 2gx6A1 ASP 226 HA 0.00 0.08 0.53 -0.75 4.63 4.49 2gx6A1 ASP 226 HB2 0.01 -0.06 0.10 -0.04 2.71 2.72 2gx6A1 ASP 226 HB3 0.01 -0.02 0.10 -0.04 2.70 2.75 2gx6A1 GLY 227 H 0.01 0.38 -0.54 -0.55 8.43 7.73 2gx6A1 GLY 227 HA2 0.02 0.07 0.26 -0.51 4.01 3.84 2gx6A1 GLY 227 HA3 0.01 0.09 0.53 -0.51 4.01 4.13 2gx6A1 LYS 228 H 0.01 0.19 -0.18 -0.55 8.42 7.89 2gx6A1 LYS 228 HA 0.01 0.19 0.53 -0.75 4.32 4.30 2gx6A1 LYS 228 HB2 0.01 -0.10 0.05 -0.04 1.87 1.79 2gx6A1 LYS 228 HB3 0.01 -0.05 -0.01 -0.04 1.79 1.70 2gx6A1 LYS 228 HG2 0.01 0.04 -0.13 -0.04 1.46 1.34 2gx6A1 LYS 228 HG3 0.01 -0.09 -0.03 -0.04 1.46 1.31 2gx6A1 LYS 228 HD2 0.01 -0.02 -0.02 -0.04 1.69 1.63 2gx6A1 LYS 228 HD3 0.01 0.12 -0.20 -0.04 1.68 1.57 2gx6A1 LYS 228 HE2 0.01 -0.08 -0.03 -0.04 2.99 2.84 2gx6A1 LYS 228 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 2gx6A1 LEU 229 H 0.02 0.39 -0.15 -0.55 8.37 8.09 2gx6A1 LEU 229 HA 0.03 0.13 0.81 -0.75 4.35 4.57 2gx6A1 LEU 229 HB2 0.02 -0.08 -0.15 -0.04 1.64 1.38 2gx6A1 LEU 229 HB3 0.01 -0.02 -0.26 -0.04 1.64 1.34 2gx6A1 LEU 229 HG 0.03 0.11 -0.18 -0.04 1.64 1.56 2gx6A1 LEU 229 HD13 0.04 0.01 -0.13 -0.04 0.93 0.81 2gx6A1 LEU 229 HD23 0.02 -0.04 -0.07 -0.04 0.89 0.76 2gx6A1 ALA 230 H 0.06 0.25 0.27 -0.55 8.40 8.43 2gx6A1 ALA 230 HA 0.08 0.11 0.36 -0.75 4.34 4.13 2gx6A1 ALA 230 HB3 0.15 0.02 0.07 -0.04 1.41 1.61 2gx6A1 ALA 231 H 0.05 0.27 0.10 -0.55 8.40 8.27 2gx6A1 ALA 231 HA -0.09 0.28 0.69 -0.75 4.34 4.47 2gx6A1 ALA 231 HB3 -0.25 0.01 -0.06 -0.04 1.41 1.07 2gx6A1 THR 232 H -0.10 0.68 0.35 -0.55 8.28 8.66 2gx6A1 THR 232 HA -0.01 0.14 0.34 -0.75 4.39 4.12 2gx6A1 THR 232 HB -0.01 0.13 -0.19 -0.04 4.32 4.20 2gx6A1 THR 232 HG23 -0.05 0.02 -0.21 -0.04 1.22 0.94 2gx6A1 ILE 233 H -0.18 0.12 -0.03 -0.55 8.25 7.60 2gx6A1 ILE 233 HA -0.24 0.31 0.87 -0.75 4.18 4.37 2gx6A1 ILE 233 HB -1.44 -0.16 0.19 -0.04 1.89 0.44 2gx6A1 ILE 233 HG12 -0.11 0.17 -0.00 -0.04 1.49 1.51 2gx6A1 ILE 233 HG13 -0.16 0.08 -0.01 -0.04 1.21 1.08 2gx6A1 ILE 233 HG23 -0.41 0.00 -0.17 -0.04 0.93 0.31 2gx6A1 ILE 233 HD13 -0.12 0.02 -0.21 -0.04 0.88 0.54 2gx6A1 ALA 234 H -0.16 0.93 0.20 -0.55 8.40 8.82 2gx6A1 ALA 234 HA -0.09 -0.11 0.08 -0.75 4.34 3.47 2gx6A1 ALA 234 HB3 -0.06 0.05 0.05 -0.04 1.41 1.41 2gx6A1 GLN 235 H 0.01 0.46 0.24 -0.55 8.47 8.63 2gx6A1 GLN 235 HA 0.04 0.25 0.79 -0.75 4.36 4.69 2gx6A1 GLN 235 HB2 0.32 0.01 0.12 -0.04 2.15 2.56 2gx6A1 GLN 235 HB3 0.26 -0.11 0.09 -0.04 2.02 2.23 2gx6A1 GLN 235 HG2 0.14 0.08 -0.08 -0.04 2.40 2.50 2gx6A1 GLN 235 HG3 0.09 -0.03 -0.02 -0.04 2.39 2.39 2gx6A1 GLN 235 HE21 -0.54 -0.02 0.01 -0.04 6.97 6.38 2gx6A1 GLN 235 HE22 -0.08 -0.06 -0.00 -0.04 7.69 7.50 2gx6A1 LEU 236 H 0.06 0.13 -0.01 -0.55 8.37 8.01 2gx6A1 LEU 236 HA -0.03 0.26 0.86 -0.75 4.35 4.69 2gx6A1 LEU 236 HB2 -0.00 -0.03 0.16 -0.04 1.64 1.73 2gx6A1 LEU 236 HB3 -0.03 -0.06 0.13 -0.04 1.64 1.64 2gx6A1 LEU 236 HG -0.00 0.07 -0.30 -0.04 1.64 1.37 2gx6A1 LEU 236 HD13 -0.00 -0.00 -0.02 -0.04 0.93 0.86 2gx6A1 LEU 236 HD23 -0.02 0.04 -0.07 -0.04 0.89 0.80 2gx6A1 PRO 237 HA -0.31 0.04 0.47 -0.51 4.44 4.12 2gx6A1 PRO 237 HB2 -0.64 0.04 -0.03 -0.04 2.28 1.61 2gx6A1 PRO 237 HB3 -1.91 -0.02 0.12 -0.04 2.02 0.17 2gx6A1 PRO 237 HG2 -0.28 0.05 0.07 -0.04 2.03 1.84 2gx6A1 PRO 237 HG3 -0.45 -0.01 0.09 -0.04 2.03 1.61 2gx6A1 PRO 237 HD2 -0.09 0.28 0.12 -0.04 3.68 3.95 2gx6A1 PRO 237 HD3 -0.00 0.08 -0.29 -0.04 3.65 3.40 2gx6A1 ASP 238 H -0.14 0.18 -0.15 -0.55 8.40 7.74 2gx6A1 ASP 238 HA -0.10 0.19 0.52 -0.75 4.63 4.48 2gx6A1 ASP 238 HB2 -0.06 0.01 0.03 -0.04 2.71 2.64 2gx6A1 ASP 238 HB3 -0.06 0.08 0.05 -0.04 2.70 2.73 2gx6A1 GLN 239 H -0.07 0.08 -0.33 -0.55 8.47 7.61 2gx6A1 GLN 239 HA -0.05 0.12 0.44 -0.75 4.36 4.13 2gx6A1 GLN 239 HB2 -0.03 0.07 0.09 -0.04 2.15 2.24 2gx6A1 GLN 239 HB3 -0.03 0.05 0.02 -0.04 2.02 2.02 2gx6A1 GLN 239 HG2 -0.03 0.05 -0.03 -0.04 2.40 2.35 2gx6A1 GLN 239 HG3 -0.03 -0.09 0.01 -0.04 2.39 2.23 2gx6A1 GLN 239 HE21 -0.01 0.05 -0.02 -0.04 6.97 6.95 2gx6A1 GLN 239 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.59 2gx6A1 ILE 240 H -0.07 0.32 -0.11 -0.55 8.25 7.85 2gx6A1 ILE 240 HA -0.03 0.08 0.42 -0.75 4.18 3.90 2gx6A1 ILE 240 HB -0.06 0.03 0.17 -0.04 1.89 1.99 2gx6A1 ILE 240 HG12 0.02 0.01 -0.11 -0.04 1.49 1.36 2gx6A1 ILE 240 HG13 0.00 0.13 -0.01 -0.04 1.21 1.29 2gx6A1 ILE 240 HG23 0.02 0.00 -0.11 -0.04 0.93 0.79 2gx6A1 ILE 240 HD13 0.13 -0.05 -0.03 -0.04 0.88 0.88 2gx6A1 GLY 241 H -0.08 0.52 -0.02 -0.55 8.43 8.30 2gx6A1 GLY 241 HA2 -0.03 -0.02 0.38 -0.51 4.01 3.83 2gx6A1 GLY 241 HA3 -0.05 0.23 0.38 -0.51 4.01 4.06 2gx6A1 ALA 242 H -0.05 0.55 -0.20 -0.55 8.40 8.15 2gx6A1 ALA 242 HA -0.04 0.10 0.25 -0.75 4.34 3.89 2gx6A1 ALA 242 HB3 -0.04 0.01 0.07 -0.04 1.41 1.41 2gx6A1 LYS 243 H -0.07 0.58 -0.16 -0.55 8.42 8.22 2gx6A1 LYS 243 HA -0.13 0.02 0.41 -0.75 4.32 3.86 2gx6A1 LYS 243 HB2 -0.09 0.07 0.12 -0.04 1.87 1.93 2gx6A1 LYS 243 HB3 -0.10 0.04 0.08 -0.04 1.79 1.76 2gx6A1 LYS 243 HG2 -0.19 0.00 -0.04 -0.04 1.46 1.18 2gx6A1 LYS 243 HG3 -0.39 -0.03 -0.13 -0.04 1.46 0.87 2gx6A1 LYS 243 HD2 -0.50 0.02 -0.03 -0.04 1.69 1.14 2gx6A1 LYS 243 HD3 -0.23 -0.04 0.04 -0.04 1.68 1.41 2gx6A1 LYS 243 HE2 -0.08 -0.00 -0.01 -0.04 2.99 2.86 2gx6A1 LYS 243 HE3 -0.05 0.00 -0.03 -0.04 2.99 2.87 2gx6A1 GLY 244 H -0.07 0.47 -0.30 -0.55 8.43 7.98 2gx6A1 GLY 244 HA2 -0.08 -0.01 0.33 -0.51 4.01 3.74 2gx6A1 GLY 244 HA3 -0.05 0.04 0.25 -0.51 4.01 3.73 2gx6A1 VAL 245 H -0.07 0.39 -0.18 -0.55 8.24 7.83 2gx6A1 VAL 245 HA -0.13 0.03 0.45 -0.75 4.13 3.73 2gx6A1 VAL 245 HB -0.05 0.09 0.09 -0.04 2.12 2.21 2gx6A1 VAL 245 HG13 -0.07 -0.00 -0.28 -0.04 0.97 0.58 2gx6A1 VAL 245 HG23 -0.06 0.07 0.03 -0.04 0.95 0.95 2gx6A1 GLU 246 H -0.08 0.56 -0.05 -0.55 8.60 8.49 2gx6A1 GLU 246 HA -0.03 0.05 0.40 -0.75 4.29 3.95 2gx6A1 GLU 246 HB2 -0.06 0.05 0.08 -0.04 2.09 2.11 2gx6A1 GLU 246 HB3 -0.12 0.02 0.12 -0.04 1.99 1.96 2gx6A1 GLU 246 HG2 -0.05 -0.01 -0.09 -0.04 2.34 2.15 2gx6A1 GLU 246 HG3 -0.03 0.01 0.01 -0.04 2.34 2.29 2gx6A1 VAL 247 H -0.15 0.72 -0.14 -0.55 8.24 8.12 2gx6A1 VAL 247 HA -0.08 0.01 0.52 -0.75 4.13 3.82 2gx6A1 VAL 247 HB -0.14 0.09 0.04 -0.04 2.12 2.07 2gx6A1 VAL 247 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.78 2gx6A1 VAL 247 HG23 -0.57 0.01 -0.03 -0.04 0.95 0.31 2gx6A1 ALA 248 H -0.10 0.55 -0.14 -0.55 8.40 8.16 2gx6A1 ALA 248 HA -0.07 -0.01 0.43 -0.75 4.34 3.93 2gx6A1 ALA 248 HB3 -0.17 0.02 0.06 -0.04 1.41 1.27 2gx6A1 ASP 249 H -0.11 0.65 -0.17 -0.55 8.40 8.22 2gx6A1 ASP 249 HA 0.06 0.03 0.41 -0.75 4.63 4.38 2gx6A1 ASP 249 HB2 0.09 0.02 0.08 -0.04 2.71 2.86 2gx6A1 ASP 249 HB3 0.03 0.13 0.13 -0.04 2.70 2.95 2gx6A1 LYS 250 H -0.01 0.43 -0.14 -0.55 8.42 8.14 2gx6A1 LYS 250 HA 0.03 -0.01 0.39 -0.75 4.32 3.97 2gx6A1 LYS 250 HB2 -0.01 0.07 0.20 -0.04 1.87 2.10 2gx6A1 LYS 250 HB3 0.03 0.01 -0.23 -0.04 1.79 1.56 2gx6A1 LYS 250 HG2 0.02 -0.07 -0.06 -0.04 1.46 1.31 2gx6A1 LYS 250 HG3 0.03 -0.04 -0.08 -0.04 1.46 1.33 2gx6A1 LYS 250 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.62 2gx6A1 LYS 250 HD3 -0.01 0.33 0.05 -0.04 1.68 2.00 2gx6A1 LYS 250 HE2 -0.01 -0.06 -0.07 -0.04 2.99 2.81 2gx6A1 LYS 250 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 2gx6A1 VAL 251 H 0.00 0.70 -0.11 -0.55 8.24 8.29 2gx6A1 VAL 251 HA 0.02 0.04 0.41 -0.75 4.13 3.85 2gx6A1 VAL 251 HB -0.01 0.14 0.14 -0.04 2.12 2.35 2gx6A1 VAL 251 HG13 0.01 -0.01 -0.11 -0.04 0.97 0.81 2gx6A1 VAL 251 HG23 0.02 0.01 -0.05 -0.04 0.95 0.89 2gx6A1 LEU 252 H 0.01 0.51 -0.18 -0.55 8.37 8.16 2gx6A1 LEU 252 HA 0.03 0.04 0.38 -0.75 4.35 4.04 2gx6A1 LEU 252 HB2 0.08 0.10 0.16 -0.04 1.64 1.94 2gx6A1 LEU 252 HB3 0.08 -0.05 0.05 -0.04 1.64 1.68 2gx6A1 LEU 252 HG -0.01 0.10 0.03 -0.04 1.64 1.71 2gx6A1 LEU 252 HD13 0.05 -0.05 -0.12 -0.04 0.93 0.77 2gx6A1 LEU 252 HD23 0.03 0.00 0.00 -0.04 0.89 0.88 2gx6A1 LYS 253 H 0.04 0.40 -0.24 -0.55 8.42 8.06 2gx6A1 LYS 253 HA 0.03 0.08 0.60 -0.75 4.32 4.27 2gx6A1 LYS 253 HB2 0.03 0.04 0.12 -0.04 1.87 2.02 2gx6A1 LYS 253 HB3 0.03 -0.09 0.09 -0.04 1.79 1.78 2gx6A1 LYS 253 HG2 0.03 -0.05 0.03 -0.04 1.46 1.43 2gx6A1 LYS 253 HG3 0.06 0.03 -0.02 -0.04 1.46 1.48 2gx6A1 LYS 253 HD2 0.05 0.03 -0.17 -0.04 1.69 1.56 2gx6A1 LYS 253 HD3 0.03 -0.08 -0.03 -0.04 1.68 1.56 2gx6A1 LYS 253 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.94 2gx6A1 LYS 253 HE3 0.07 0.03 -0.02 -0.04 2.99 3.03 2gx6A1 GLY 254 H 0.03 0.40 -0.34 -0.55 8.43 7.97 2gx6A1 GLY 254 HA2 0.02 0.04 0.32 -0.51 4.01 3.88 2gx6A1 GLY 254 HA3 0.02 -0.00 0.43 -0.51 4.01 3.95 2gx6A1 GLU 255 H 0.03 0.38 -0.13 -0.55 8.60 8.33 2gx6A1 GLU 255 HA 0.02 0.05 0.49 -0.75 4.29 4.10 2gx6A1 GLU 255 HB2 0.03 -0.03 -0.05 -0.04 2.09 2.00 2gx6A1 GLU 255 HB3 0.03 -0.06 0.04 -0.04 1.99 1.96 2gx6A1 GLU 255 HG2 0.02 -0.01 -0.03 -0.04 2.34 2.28 2gx6A1 GLU 255 HG3 0.02 0.07 -0.11 -0.04 2.34 2.29 2gx6A1 LYS 256 H 0.03 0.08 0.10 -0.55 8.42 8.08 2gx6A1 LYS 256 HA 0.03 0.19 0.78 -0.75 4.32 4.57 2gx6A1 LYS 256 HB2 0.02 -0.05 0.13 -0.04 1.87 1.93 2gx6A1 LYS 256 HB3 0.02 -0.01 -0.04 -0.04 1.79 1.72 2gx6A1 LYS 256 HG2 0.02 0.07 -0.08 -0.04 1.46 1.42 2gx6A1 LYS 256 HG3 0.01 -0.04 0.00 -0.04 1.46 1.39 2gx6A1 LYS 256 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 2gx6A1 LYS 256 HD3 0.02 0.05 0.05 -0.04 1.68 1.76 2gx6A1 LYS 256 HE2 0.02 0.12 -0.06 -0.04 2.99 3.02 2gx6A1 LYS 256 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2gx6A1 VAL 257 H 0.05 0.24 0.12 -0.55 8.24 8.11 2gx6A1 VAL 257 HA 0.18 0.11 0.87 -0.75 4.13 4.54 2gx6A1 VAL 257 HB 0.25 -0.02 -0.02 -0.04 2.12 2.28 2gx6A1 VAL 257 HG13 0.07 0.05 -0.30 -0.04 0.97 0.76 2gx6A1 VAL 257 HG23 0.08 0.03 -0.12 -0.04 0.95 0.90 2gx6A1 GLN 258 H 0.02 0.10 0.06 -0.55 8.47 8.10 2gx6A1 GLN 258 HA -0.12 0.06 0.56 -0.75 4.36 4.10 2gx6A1 GLN 258 HB2 -1.46 -0.02 -0.05 -0.04 2.15 0.58 2gx6A1 GLN 258 HB3 -0.42 -0.02 0.10 -0.04 2.02 1.64 2gx6A1 GLN 258 HG2 -0.20 0.00 0.05 -0.04 2.40 2.21 2gx6A1 GLN 258 HG3 -0.22 0.00 0.04 -0.04 2.39 2.17 2gx6A1 GLN 258 HE21 -0.01 -0.02 0.03 -0.04 6.97 6.93 2gx6A1 GLN 258 HE22 -0.03 0.02 0.01 -0.04 7.69 7.66 2gx6A1 ALA 259 H -0.07 0.11 0.21 -0.55 8.40 8.10 2gx6A1 ALA 259 HA 0.03 0.35 0.65 -0.75 4.34 4.61 2gx6A1 ALA 259 HB3 -0.00 -0.01 0.12 -0.04 1.41 1.48 2gx6A1 LYS 260 H -0.13 0.13 -0.07 -0.55 8.42 7.80 2gx6A1 LYS 260 HA 0.07 0.29 0.87 -0.75 4.32 4.79 2gx6A1 LYS 260 HB2 -0.02 -0.02 0.06 -0.04 1.87 1.85 2gx6A1 LYS 260 HB3 0.04 -0.02 -0.07 -0.04 1.79 1.69 2gx6A1 LYS 260 HG2 0.15 0.06 -0.04 -0.04 1.46 1.59 2gx6A1 LYS 260 HG3 0.05 -0.02 -0.30 -0.04 1.46 1.14 2gx6A1 LYS 260 HD2 0.05 0.01 -0.06 -0.04 1.69 1.65 2gx6A1 LYS 260 HD3 0.11 -0.05 -0.08 -0.04 1.68 1.63 2gx6A1 LYS 260 HE2 0.10 -0.03 -0.08 -0.04 2.99 2.95 2gx6A1 LYS 260 HE3 0.04 0.05 -0.07 -0.04 2.99 2.97 2gx6A1 TYR 261 H 0.15 0.59 0.19 -0.55 8.29 8.66 2gx6A1 TYR 261 HA 0.00 0.23 0.86 -0.75 4.56 4.90 2gx6A1 TYR 261 HB2 -0.02 -0.08 0.13 -0.04 3.06 3.05 2gx6A1 TYR 261 HB3 -0.01 0.03 0.03 -0.04 2.98 2.99 2gx6A1 TYR 261 HD2 -0.00 0.00 -0.13 -0.04 7.15 6.98 2gx6A1 TYR 261 HE2 0.00 0.10 -0.05 -0.04 6.85 6.87 2gx6A1 PRO 262 HA 0.04 0.24 0.56 -0.51 4.44 4.77 2gx6A1 PRO 262 HB2 0.04 0.01 -0.05 -0.04 2.28 2.24 2gx6A1 PRO 262 HB3 0.04 -0.05 0.03 -0.04 2.02 2.00 2gx6A1 PRO 262 HG2 0.02 0.06 0.02 -0.04 2.03 2.08 2gx6A1 PRO 262 HG3 0.02 0.00 -0.03 -0.04 2.03 1.98 2gx6A1 PRO 262 HD2 0.02 0.12 0.13 -0.04 3.68 3.91 2gx6A1 PRO 262 HD3 -0.02 0.26 -0.23 -0.04 3.65 3.61 2gx6A1 VAL 263 H 0.04 0.35 0.26 -0.55 8.24 8.34 2gx6A1 VAL 263 HA 0.03 0.21 0.80 -0.75 4.13 4.42 2gx6A1 VAL 263 HB 0.04 -0.18 -0.16 -0.04 2.12 1.78 2gx6A1 VAL 263 HG13 0.02 0.05 -0.04 -0.04 0.97 0.95 2gx6A1 VAL 263 HG23 0.02 0.05 -0.19 -0.04 0.95 0.78 2gx6A1 ASP 264 H 0.02 0.16 0.10 -0.55 8.40 8.14 2gx6A1 ASP 264 HA 0.02 0.02 0.29 -0.75 4.63 4.21 2gx6A1 ASP 264 HB2 0.01 -0.03 0.07 -0.04 2.71 2.72 2gx6A1 ASP 264 HB3 0.00 0.13 -0.04 -0.04 2.70 2.75 2gx6A1 LEU 265 H 0.01 0.17 0.23 -0.55 8.37 8.23 2gx6A1 LEU 265 HA -0.03 0.37 0.86 -0.75 4.35 4.80 2gx6A1 LEU 265 HB2 0.01 -0.03 0.05 -0.04 1.64 1.64 2gx6A1 LEU 265 HB3 -0.08 -0.01 -0.10 -0.04 1.64 1.41 2gx6A1 LEU 265 HG 0.07 -0.04 -0.11 -0.04 1.64 1.52 2gx6A1 LEU 265 HD13 0.17 -0.01 -0.11 -0.04 0.93 0.94 2gx6A1 LEU 265 HD23 -0.08 0.03 -0.13 -0.04 0.89 0.67 2gx6A1 LYS 266 H -0.11 0.33 0.15 -0.55 8.42 8.25 2gx6A1 LYS 266 HA -0.05 0.15 0.82 -0.75 4.32 4.48 2gx6A1 LYS 266 HB2 -0.04 0.03 -0.27 -0.04 1.87 1.55 2gx6A1 LYS 266 HB3 -0.06 -0.09 -0.00 -0.04 1.79 1.59 2gx6A1 LYS 266 HG2 -0.04 -0.02 -0.08 -0.04 1.46 1.29 2gx6A1 LYS 266 HG3 -0.06 0.22 -0.25 -0.04 1.46 1.33 2gx6A1 LYS 266 HD2 -0.04 -0.04 0.12 -0.04 1.69 1.68 2gx6A1 LYS 266 HD3 -0.03 0.02 0.08 -0.04 1.68 1.71 2gx6A1 LYS 266 HE2 -0.02 -0.01 0.02 -0.04 2.99 2.94 2gx6A1 LYS 266 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.88 2gx6A1 LEU 267 H -0.08 0.18 0.12 -0.55 8.37 8.04 2gx6A1 LEU 267 HA -0.15 0.05 0.73 -0.75 4.35 4.23 2gx6A1 LEU 267 HB2 -0.10 -0.04 0.07 -0.04 1.64 1.53 2gx6A1 LEU 267 HB3 -0.10 0.02 0.12 -0.04 1.64 1.64 2gx6A1 LEU 267 HG -0.29 0.03 -0.33 -0.04 1.64 1.01 2gx6A1 LEU 267 HD13 -0.34 0.02 -0.10 -0.04 0.93 0.47 2gx6A1 LEU 267 HD23 -0.18 0.02 -0.07 -0.04 0.89 0.62 2gx6A1 VAL 268 H -0.15 0.76 0.45 -0.55 8.24 8.74 2gx6A1 VAL 268 HA -0.09 0.21 0.98 -0.75 4.13 4.47 2gx6A1 VAL 268 HB -0.09 -0.16 0.10 -0.04 2.12 1.93 2gx6A1 VAL 268 HG13 -0.05 0.01 -0.18 -0.04 0.97 0.71 2gx6A1 VAL 268 HG23 -0.07 0.02 -0.15 -0.04 0.95 0.71 2gx6A1 VAL 269 H -0.09 0.25 0.15 -0.55 8.24 8.00 2gx6A1 VAL 269 HA -0.10 0.24 0.87 -0.75 4.13 4.38 2gx6A1 VAL 269 HB -0.04 0.11 0.16 -0.04 2.12 2.31 2gx6A1 VAL 269 HG13 -0.46 -0.01 -0.18 -0.04 0.97 0.28 2gx6A1 VAL 269 HG23 -0.04 0.02 -0.14 -0.04 0.95 0.75 2gx6A1 LYS 270 H -0.00 0.26 0.15 -0.55 8.42 8.27 2gx6A1 LYS 270 HA -0.01 -0.04 0.43 -0.75 4.32 3.94 2gx6A1 LYS 270 HB2 0.01 0.15 0.10 -0.04 1.87 2.09 2gx6A1 LYS 270 HB3 0.02 -0.02 0.12 -0.04 1.79 1.87 2gx6A1 LYS 270 HG2 0.01 0.07 -0.16 -0.04 1.46 1.34 2gx6A1 LYS 270 HG3 0.00 -0.11 0.05 -0.04 1.46 1.36 2gx6A1 LYS 270 HD2 0.01 0.14 0.06 -0.04 1.69 1.85 2gx6A1 LYS 270 HD3 0.01 -0.05 0.01 -0.04 1.68 1.61 2gx6A1 LYS 270 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 2gx6A1 LYS 270 HE3 0.01 -0.06 -0.02 -0.04 2.99 2.88 2gx6A1 GLN 271 H -0.01 0.09 0.09 -0.55 8.47 8.10 2gx6A1 GLN 271 HA 0.00 0.24 0.63 -0.75 4.36 4.48 2gx6A1 GLN 271 HB2 -0.01 -0.01 0.09 -0.04 2.15 2.19 2gx6A1 GLN 271 HB3 -0.00 0.02 0.06 -0.04 2.02 2.05 2gx6A1 GLN 271 HG2 -0.01 0.03 0.02 -0.04 2.40 2.40 2gx6A1 GLN 271 HG3 -0.01 -0.04 0.01 -0.04 2.39 2.31 2gx6A1 GLN 271 HE21 -0.03 -0.08 -0.11 -0.04 6.97 6.71 2gx6A1 GLN 271 HE22 -0.03 0.61 -0.08 -0.04 7.69 8.15