============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 9 1.000 -0.254 -26.436 -9.953 -99.200 -91.000 PHE 13 1.000 -3.053 -14.072 -0.848 -99.200 -91.000 TRP 25 1.040 -0.652 3.643 -4.959 -99.200 -91.000 TRP6 25 1.020 -1.114 1.410 -4.353 -99.200 -91.000 TYR 26 0.840 3.935 -2.807 -5.005 -99.200 -91.000 HIS 40 0.900 9.361 10.482 9.504 -99.200 -91.000 PHE 48 1.000 -1.319 6.586 -1.261 -99.200 -91.000 HIS 56 0.900 8.729 -10.784 10.722 -99.200 -91.000 TYR 62 0.840 -0.046 -7.039 -1.242 -99.200 -91.000 PHE 67 1.000 5.008 12.742 6.402 -99.200 -91.000 PHE 68 1.000 -2.278 13.083 10.565 -99.200 -91.000 TYR 73 0.840 0.117 7.557 12.992 -99.200 -91.000 PHE 79 1.000 -7.632 -12.150 1.262 -99.200 -91.000 TYR 86 0.840 -6.542 -7.675 0.080 -99.200 -91.000 TYR 97 0.840 -14.820 -6.686 7.259 -99.200 -91.000 PHE 98 1.000 -11.509 -0.718 2.689 -99.200 -91.000 HIS 108 0.900 -8.553 4.119 3.142 -99.200 -91.000 HIS 110 0.900 -12.038 10.747 -4.052 -99.200 -91.000 TYR 130 0.840 0.408 15.791 -0.527 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eo6A12 GLY 1 HA2 -0.02 -0.08 0.19 -0.51 4.01 3.60 2eo6A12 GLY 1 HA3 -0.01 0.02 0.17 -0.51 4.01 3.67 2eo6A12 SER 2 H -0.01 0.11 0.07 -0.55 8.46 8.08 2eo6A12 SER 2 HA -0.01 -0.04 0.30 -0.75 4.49 3.99 2eo6A12 SER 2 HB2 -0.01 0.18 -0.13 -0.04 3.95 3.96 2eo6A12 SER 2 HB3 -0.01 -0.05 0.20 -0.04 3.93 4.04 2eo6A12 SER 3 H -0.01 0.20 -0.30 -0.55 8.46 7.81 2eo6A12 SER 3 HA -0.01 0.06 0.74 -0.75 4.49 4.53 2eo6A12 SER 3 HB2 -0.00 0.11 -0.13 -0.04 3.95 3.89 2eo6A12 SER 3 HB3 0.00 -0.07 -0.06 -0.04 3.93 3.75 2eo6A12 GLY 4 H -0.00 0.15 0.07 -0.55 8.43 8.10 2eo6A12 GLY 4 HA2 -0.01 -0.01 0.30 -0.51 4.01 3.79 2eo6A12 GLY 4 HA3 -0.00 0.06 0.35 -0.51 4.01 3.91 2eo6A12 SER 5 H -0.01 0.06 -0.29 -0.55 8.46 7.68 2eo6A12 SER 5 HA -0.02 0.26 0.87 -0.75 4.49 4.85 2eo6A12 SER 5 HB2 -0.02 -0.06 0.07 -0.04 3.95 3.90 2eo6A12 SER 5 HB3 -0.02 0.00 0.01 -0.04 3.93 3.88 2eo6A12 SER 6 H -0.01 0.30 -0.08 -0.55 8.46 8.13 2eo6A12 SER 6 HA -0.01 0.01 0.46 -0.75 4.49 4.20 2eo6A12 SER 6 HB2 0.01 0.00 0.03 -0.04 3.95 3.94 2eo6A12 SER 6 HB3 0.00 0.00 0.05 -0.04 3.93 3.94 2eo6A12 GLY 7 H -0.03 0.19 0.15 -0.55 8.43 8.20 2eo6A12 GLY 7 HA2 0.01 0.26 0.92 -0.51 4.01 4.69 2eo6A12 GLY 7 HA3 -0.02 0.00 0.32 -0.51 4.01 3.81 2eo6A12 PRO 8 HA 0.00 0.06 0.43 -0.51 4.44 4.42 2eo6A12 PRO 8 HB2 0.10 0.06 0.08 -0.04 2.28 2.48 2eo6A12 PRO 8 HB3 0.06 0.02 0.06 -0.04 2.02 2.12 2eo6A12 PRO 8 HG2 0.05 0.03 0.09 -0.04 2.03 2.16 2eo6A12 PRO 8 HG3 0.04 0.05 0.03 -0.04 2.03 2.11 2eo6A12 PRO 8 HD2 0.03 0.21 0.08 -0.04 3.68 3.96 2eo6A12 PRO 8 HD3 0.02 0.06 -0.33 -0.04 3.65 3.35 2eo6A12 PHE 9 H -0.29 0.29 0.30 -0.55 8.34 8.08 2eo6A12 PHE 9 HA 0.01 0.02 0.30 -0.75 4.62 4.19 2eo6A12 PHE 9 HB2 0.00 0.06 -0.18 -0.04 3.15 2.99 2eo6A12 PHE 9 HB3 0.00 -0.00 0.21 -0.04 3.06 3.23 2eo6A12 PHE 9 HD2 0.01 -0.02 -0.01 -0.04 7.28 7.22 2eo6A12 PHE 9 HE2 0.01 0.00 0.02 -0.04 7.38 7.36 2eo6A12 PHE 9 HZ 0.00 0.01 0.02 -0.04 7.32 7.31 2eo6A12 ASN 10 H 0.03 0.09 -0.83 -0.55 8.53 7.27 2eo6A12 ASN 10 HA 0.04 0.19 0.90 -0.75 4.76 5.14 2eo6A12 ASN 10 HB2 0.05 0.30 -0.10 -0.04 2.88 3.09 2eo6A12 ASN 10 HB3 0.04 -0.07 0.12 -0.04 2.79 2.84 2eo6A12 ASN 10 HD21 0.02 0.01 0.04 -0.04 7.03 7.06 2eo6A12 ASN 10 HD22 -0.07 0.02 0.01 -0.04 7.74 7.66 2eo6A12 SER 11 H 0.03 0.30 -0.12 -0.55 8.46 8.12 2eo6A12 SER 11 HA 0.03 0.14 0.74 -0.75 4.49 4.65 2eo6A12 SER 11 HB2 0.03 -0.05 0.12 -0.04 3.95 4.00 2eo6A12 SER 11 HB3 0.02 0.04 -0.02 -0.04 3.93 3.94 2eo6A12 THR 12 H -0.11 0.30 -0.48 -0.55 8.28 7.44 2eo6A12 THR 12 HA -0.13 0.15 0.45 -0.75 4.39 4.11 2eo6A12 THR 12 HB -0.53 0.09 -0.01 -0.04 4.32 3.83 2eo6A12 THR 12 HG23 -0.16 0.02 -0.02 -0.04 1.22 1.02 2eo6A12 PHE 13 H -0.36 0.14 0.03 -0.55 8.34 7.60 2eo6A12 PHE 13 HA 0.08 0.15 0.51 -0.75 4.62 4.60 2eo6A12 PHE 13 HB2 -0.03 -0.00 0.06 -0.04 3.15 3.14 2eo6A12 PHE 13 HB3 0.01 0.04 0.01 -0.04 3.06 3.08 2eo6A12 PHE 13 HD2 -0.15 -0.01 0.03 -0.04 7.28 7.11 2eo6A12 PHE 13 HE2 -0.75 0.05 -0.00 -0.04 7.38 6.64 2eo6A12 PHE 13 HZ -0.35 0.03 -0.00 -0.04 7.32 6.95 2eo6A12 ALA 14 H 0.18 0.10 -0.12 -0.55 8.40 8.01 2eo6A12 ALA 14 HA 0.12 0.06 0.29 -0.75 4.34 4.05 2eo6A12 ALA 14 HB3 0.06 0.04 0.02 -0.04 1.41 1.50 2eo6A12 ASP 15 H 0.05 0.24 -0.65 -0.55 8.40 7.50 2eo6A12 ASP 15 HA 0.03 0.02 0.36 -0.75 4.63 4.28 2eo6A12 ASP 15 HB2 0.03 0.21 0.10 -0.04 2.71 3.01 2eo6A12 ASP 15 HB3 0.03 -0.03 -0.01 -0.04 2.70 2.66 2eo6A12 GLN 16 H 0.10 0.39 -0.09 -0.55 8.47 8.32 2eo6A12 GLN 16 HA 0.04 0.00 0.39 -0.75 4.36 4.04 2eo6A12 GLN 16 HB2 0.25 0.19 0.19 -0.04 2.15 2.75 2eo6A12 GLN 16 HB3 0.08 -0.10 -0.02 -0.04 2.02 1.94 2eo6A12 GLN 16 HG2 0.18 0.14 0.13 -0.04 2.40 2.80 2eo6A12 GLN 16 HG3 0.26 -0.06 0.08 -0.04 2.39 2.63 2eo6A12 GLN 16 HE21 -0.02 -0.04 0.07 -0.04 6.97 6.93 2eo6A12 GLN 16 HE22 0.01 -0.00 0.06 -0.04 7.69 7.71 2eo6A12 GLU 17 H 0.10 0.41 -0.36 -0.55 8.60 8.21 2eo6A12 GLU 17 HA -0.14 -0.03 0.32 -0.75 4.29 3.69 2eo6A12 GLU 17 HB2 0.12 -0.04 0.07 -0.04 2.09 2.20 2eo6A12 GLU 17 HB3 0.03 0.10 0.05 -0.04 1.99 2.13 2eo6A12 GLU 17 HG2 0.08 0.01 -0.02 -0.04 2.34 2.37 2eo6A12 GLU 17 HG3 -0.03 -0.06 0.03 -0.04 2.34 2.25 2eo6A12 ALA 18 H -0.00 0.45 -0.23 -0.55 8.40 8.06 2eo6A12 ALA 18 HA -0.03 -0.00 0.43 -0.75 4.34 3.98 2eo6A12 ALA 18 HB3 -0.00 0.06 0.13 -0.04 1.41 1.56 2eo6A12 GLU 19 H -0.05 0.37 -0.41 -0.55 8.60 7.97 2eo6A12 GLU 19 HA -0.05 0.17 0.75 -0.75 4.29 4.40 2eo6A12 GLU 19 HB2 -0.00 -0.08 0.22 -0.04 2.09 2.19 2eo6A12 GLU 19 HB3 -0.01 -0.02 0.06 -0.04 1.99 1.99 2eo6A12 GLU 19 HG2 -0.01 0.08 0.16 -0.04 2.34 2.52 2eo6A12 GLU 19 HG3 -0.04 0.07 0.06 -0.04 2.34 2.39 2eo6A12 LEU 20 H -0.21 0.34 -0.46 -0.55 8.37 7.49 2eo6A12 LEU 20 HA -0.45 0.10 0.90 -0.75 4.35 4.14 2eo6A12 LEU 20 HB2 -0.68 0.10 0.13 -0.04 1.64 1.15 2eo6A12 LEU 20 HB3 -1.33 -0.11 0.04 -0.04 1.64 0.20 2eo6A12 LEU 20 HG -0.23 0.23 -0.39 -0.04 1.64 1.20 2eo6A12 LEU 20 HD13 -0.56 -0.05 -0.33 -0.04 0.93 -0.05 2eo6A12 LEU 20 HD23 -0.09 -0.03 -0.03 -0.04 0.89 0.70 2eo6A12 LEU 21 H -0.24 0.32 0.18 -0.55 8.37 8.07 2eo6A12 LEU 21 HA 0.08 0.01 0.51 -0.75 4.35 4.20 2eo6A12 LEU 21 HB2 -0.05 0.07 0.18 -0.04 1.64 1.79 2eo6A12 LEU 21 HB3 0.01 -0.00 0.05 -0.04 1.64 1.65 2eo6A12 LEU 21 HG -0.08 0.24 0.10 -0.04 1.64 1.85 2eo6A12 LEU 21 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.85 2eo6A12 LEU 21 HD23 0.18 -0.01 0.01 -0.04 0.89 1.03 2eo6A12 GLY 22 H 0.01 0.19 0.18 -0.55 8.43 8.27 2eo6A12 GLY 22 HA2 -0.06 0.00 0.35 -0.51 4.01 3.80 2eo6A12 GLY 22 HA3 -0.07 0.17 0.77 -0.51 4.01 4.36 2eo6A12 LYS 23 H -0.28 0.27 -0.53 -0.55 8.42 7.32 2eo6A12 LYS 23 HA -0.27 0.09 0.34 -0.75 4.32 3.72 2eo6A12 LYS 23 HB2 -1.20 0.01 0.20 -0.04 1.87 0.84 2eo6A12 LYS 23 HB3 -2.09 -0.12 0.10 -0.04 1.79 -0.37 2eo6A12 LYS 23 HG2 -0.43 0.09 -0.17 -0.04 1.46 0.91 2eo6A12 LYS 23 HG3 -0.82 -0.05 0.10 -0.04 1.46 0.64 2eo6A12 LYS 23 HD2 0.16 -0.04 0.03 -0.04 1.69 1.80 2eo6A12 LYS 23 HD3 -0.09 0.02 -0.07 -0.04 1.68 1.51 2eo6A12 LYS 23 HE2 0.02 0.23 -0.05 -0.04 2.99 3.16 2eo6A12 LYS 23 HE3 0.40 -0.09 0.04 -0.04 2.99 3.29 2eo6A12 PRO 24 HA -0.10 0.15 0.42 -0.51 4.44 4.41 2eo6A12 PRO 24 HB2 0.03 0.16 0.12 -0.04 2.28 2.55 2eo6A12 PRO 24 HB3 -0.00 0.03 0.17 -0.04 2.02 2.17 2eo6A12 PRO 24 HG2 0.30 -0.00 0.01 -0.04 2.03 2.30 2eo6A12 PRO 24 HG3 0.11 0.04 0.08 -0.04 2.03 2.23 2eo6A12 PRO 24 HD2 -0.04 0.01 0.21 -0.04 3.68 3.82 2eo6A12 PRO 24 HD3 -0.03 0.19 0.18 -0.04 3.65 3.94 2eo6A12 TRP 25 H -0.69 -0.10 -0.61 -0.55 7.97 6.03 2eo6A12 TRP 25 HA -0.29 0.35 0.64 -0.75 4.62 4.57 2eo6A12 TRP 25 HB2 -0.25 -0.15 -0.08 -0.04 3.23 2.71 2eo6A12 TRP 25 HB3 -1.00 0.08 -0.09 -0.04 3.23 2.18 2eo6A12 TRP 25 HD1 0.09 0.06 -0.07 -0.04 7.22 7.26 2eo6A12 TRP 25 HE1 0.09 0.04 0.00 -0.04 10.20 10.30 2eo6A12 TRP 25 HE3 0.18 -0.22 -0.24 -0.04 7.59 7.27 2eo6A12 TRP 25 HZ2 -0.03 0.05 0.05 -0.04 7.44 7.47 2eo6A12 TRP 25 HZ3 -0.02 -0.05 -0.07 -0.04 7.13 6.94 2eo6A12 TRP 25 HH2 -0.15 -0.06 -0.04 -0.04 7.19 6.91 2eo6A12 TYR 26 H -0.80 -0.00 -0.18 -0.55 8.29 6.75 2eo6A12 TYR 26 HA -0.13 0.00 0.57 -0.75 4.56 4.25 2eo6A12 TYR 26 HB2 -1.11 -0.04 0.20 -0.04 3.06 2.07 2eo6A12 TYR 26 HB3 -0.53 0.12 0.25 -0.04 2.98 2.78 2eo6A12 TYR 26 HD2 -0.17 -0.01 0.04 -0.04 7.15 6.96 2eo6A12 TYR 26 HE2 -0.05 -0.01 -0.06 -0.04 6.85 6.68 2eo6A12 ALA 27 H -0.02 0.43 0.41 -0.55 8.40 8.67 2eo6A12 ALA 27 HA -0.17 0.08 0.43 -0.75 4.34 3.92 2eo6A12 ALA 27 HB3 -0.05 -0.03 -0.03 -0.04 1.41 1.26 2eo6A12 GLY 28 H -0.94 0.10 -0.24 -0.55 8.43 6.81 2eo6A12 GLY 28 HA2 -1.21 -0.00 0.26 -0.51 4.01 2.55 2eo6A12 GLY 28 HA3 -0.52 0.13 0.50 -0.51 4.01 3.61 2eo6A12 ALA 29 H -0.12 0.16 0.09 -0.55 8.40 7.98 2eo6A12 ALA 29 HA -0.02 0.23 0.70 -0.75 4.34 4.50 2eo6A12 ALA 29 HB3 -0.00 0.01 0.12 -0.04 1.41 1.49 2eo6A12 CYS 30 H -0.08 0.22 -0.72 -0.55 8.50 7.38 2eo6A12 CYS 30 HA -0.04 0.11 0.54 -0.75 4.58 4.44 2eo6A12 CYS 30 HB2 -0.08 0.24 -0.05 -0.04 2.97 3.04 2eo6A12 CYS 30 HB3 -0.05 -0.00 -0.16 -0.04 2.97 2.72 2eo6A12 ASP 31 H -0.02 0.10 0.10 -0.55 8.40 8.03 2eo6A12 ASP 31 HA -0.01 0.16 0.41 -0.75 4.63 4.44 2eo6A12 ASP 31 HB2 -0.01 -0.07 0.11 -0.04 2.71 2.70 2eo6A12 ASP 31 HB3 -0.00 -0.08 0.04 -0.04 2.70 2.62 2eo6A12 ARG 32 H 0.00 0.21 0.15 -0.55 8.46 8.27 2eo6A12 ARG 32 HA 0.02 0.15 0.30 -0.75 4.34 4.06 2eo6A12 ARG 32 HB2 0.02 0.10 0.13 -0.04 1.90 2.11 2eo6A12 ARG 32 HB3 0.02 -0.09 0.11 -0.04 1.80 1.81 2eo6A12 ARG 32 HG2 0.04 -0.02 -0.21 -0.04 1.67 1.43 2eo6A12 ARG 32 HG3 0.04 0.04 -0.02 -0.04 1.67 1.69 2eo6A12 ARG 32 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.19 2eo6A12 ARG 32 HD3 0.04 0.01 -0.04 -0.04 3.22 3.18 2eo6A12 LYS 33 H 0.01 0.11 -0.13 -0.55 8.42 7.85 2eo6A12 LYS 33 HA 0.01 0.08 0.30 -0.75 4.32 3.96 2eo6A12 LYS 33 HB2 0.00 0.05 0.07 -0.04 1.87 1.95 2eo6A12 LYS 33 HB3 0.00 -0.06 0.04 -0.04 1.79 1.73 2eo6A12 LYS 33 HG2 -0.00 0.01 -0.36 -0.04 1.46 1.07 2eo6A12 LYS 33 HG3 -0.01 0.02 -0.04 -0.04 1.46 1.39 2eo6A12 LYS 33 HD2 -0.01 0.04 -0.05 -0.04 1.69 1.62 2eo6A12 LYS 33 HD3 -0.01 0.01 -0.02 -0.04 1.68 1.62 2eo6A12 LYS 33 HE2 -0.01 0.04 -0.03 -0.04 2.99 2.95 2eo6A12 LYS 33 HE3 -0.01 -0.08 -0.06 -0.04 2.99 2.80 2eo6A12 SER 34 H 0.00 0.07 -0.32 -0.55 8.46 7.66 2eo6A12 SER 34 HA -0.00 0.01 0.32 -0.75 4.49 4.06 2eo6A12 SER 34 HB2 -0.01 0.17 0.02 -0.04 3.95 4.09 2eo6A12 SER 34 HB3 -0.02 -0.01 -0.05 -0.04 3.93 3.81 2eo6A12 ALA 35 H 0.01 0.52 -0.28 -0.55 8.40 8.10 2eo6A12 ALA 35 HA 0.01 -0.01 0.26 -0.75 4.34 3.84 2eo6A12 ALA 35 HB3 0.04 0.02 -0.04 -0.04 1.41 1.39 2eo6A12 GLU 36 H 0.05 0.52 -0.23 -0.55 8.60 8.40 2eo6A12 GLU 36 HA 0.15 0.04 0.36 -0.75 4.29 4.09 2eo6A12 GLU 36 HB2 0.07 0.11 0.09 -0.04 2.09 2.33 2eo6A12 GLU 36 HB3 0.21 -0.05 -0.05 -0.04 1.99 2.06 2eo6A12 GLU 36 HG2 0.13 -0.03 -0.11 -0.04 2.34 2.29 2eo6A12 GLU 36 HG3 0.08 0.09 -0.08 -0.04 2.34 2.39 2eo6A12 GLU 37 H 0.04 0.64 -0.08 -0.55 8.60 8.66 2eo6A12 GLU 37 HA 0.06 0.01 0.40 -0.75 4.29 4.00 2eo6A12 GLU 37 HB2 0.00 0.06 0.19 -0.04 2.09 2.30 2eo6A12 GLU 37 HB3 -0.00 -0.02 -0.04 -0.04 1.99 1.90 2eo6A12 GLU 37 HG2 -0.02 -0.02 -0.04 -0.04 2.34 2.22 2eo6A12 GLU 37 HG3 0.00 0.19 -0.11 -0.04 2.34 2.38 2eo6A12 ALA 38 H -0.00 0.77 0.03 -0.55 8.40 8.65 2eo6A12 ALA 38 HA -0.04 -0.01 0.26 -0.75 4.34 3.80 2eo6A12 ALA 38 HB3 -0.04 0.04 -0.09 -0.04 1.41 1.29 2eo6A12 LEU 39 H -0.01 0.19 -1.08 -0.55 8.37 6.92 2eo6A12 LEU 39 HA -0.27 0.07 0.64 -0.75 4.35 4.03 2eo6A12 LEU 39 HB2 0.03 0.16 0.09 -0.04 1.64 1.88 2eo6A12 LEU 39 HB3 -0.12 -0.08 -0.09 -0.04 1.64 1.30 2eo6A12 LEU 39 HG 0.00 0.11 -0.11 -0.04 1.64 1.60 2eo6A12 LEU 39 HD13 0.15 -0.00 -0.18 -0.04 0.93 0.87 2eo6A12 LEU 39 HD23 -0.03 -0.02 -0.12 -0.04 0.89 0.67 2eo6A12 HIS 40 H 0.07 0.67 0.17 -0.55 8.41 8.78 2eo6A12 HIS 40 HA 0.00 -0.03 0.36 -0.75 4.63 4.21 2eo6A12 HIS 40 HB2 0.01 0.06 0.16 -0.04 3.26 3.46 2eo6A12 HIS 40 HB3 0.04 -0.03 -0.04 -0.04 3.20 3.12 2eo6A12 HIS 40 HD2 0.11 0.14 -0.09 -0.04 6.97 7.08 2eo6A12 HIS 40 HE1 0.10 0.12 -0.21 -0.04 7.75 7.72 2eo6A12 ARG 41 H -0.05 0.62 -0.35 -0.55 8.46 8.12 2eo6A12 ARG 41 HA -0.02 0.04 0.39 -0.75 4.34 3.99 2eo6A12 ARG 41 HB2 -0.04 -0.05 -0.03 -0.04 1.90 1.74 2eo6A12 ARG 41 HB3 -0.03 0.02 -0.07 -0.04 1.80 1.68 2eo6A12 ARG 41 HG2 -0.10 0.22 -0.06 -0.04 1.67 1.69 2eo6A12 ARG 41 HG3 -0.08 0.01 -0.38 -0.04 1.67 1.18 2eo6A12 ARG 41 HD2 -0.04 -0.08 -0.11 -0.04 3.22 2.95 2eo6A12 ARG 41 HD3 -0.06 0.03 -0.01 -0.04 3.22 3.14 2eo6A12 SER 42 H -0.24 0.22 -0.33 -0.55 8.46 7.57 2eo6A12 SER 42 HA -0.15 0.01 0.33 -0.75 4.49 3.93 2eo6A12 SER 42 HB2 -0.23 0.12 0.18 -0.04 3.95 3.97 2eo6A12 SER 42 HB3 -0.50 -0.00 0.16 -0.04 3.93 3.55 2eo6A12 ASN 43 H -0.56 0.32 -0.22 -0.55 8.53 7.53 2eo6A12 ASN 43 HA 0.17 -0.04 0.25 -0.75 4.76 4.39 2eo6A12 ASN 43 HB2 -0.02 0.14 -0.30 -0.04 2.88 2.67 2eo6A12 ASN 43 HB3 -0.03 0.16 0.30 -0.04 2.79 3.18 2eo6A12 ASN 43 HD21 0.03 0.07 0.02 -0.04 7.03 7.10 2eo6A12 ASN 43 HD22 0.05 -0.08 0.04 -0.04 7.74 7.71 2eo6A12 LYS 44 H -0.19 0.11 -0.19 -0.55 8.42 7.60 2eo6A12 LYS 44 HA -0.11 0.20 0.84 -0.75 4.32 4.49 2eo6A12 LYS 44 HB2 -0.61 -0.09 0.06 -0.04 1.87 1.19 2eo6A12 LYS 44 HB3 -1.11 0.03 -0.01 -0.04 1.79 0.66 2eo6A12 LYS 44 HG2 -0.24 0.08 -0.17 -0.04 1.46 1.08 2eo6A12 LYS 44 HG3 -0.24 0.10 -0.67 -0.04 1.46 0.61 2eo6A12 LYS 44 HD2 -0.17 0.06 -0.07 -0.04 1.69 1.47 2eo6A12 LYS 44 HD3 -0.42 -0.08 -0.06 -0.04 1.68 1.07 2eo6A12 LYS 44 HE2 -0.46 -0.01 -0.05 -0.04 2.99 2.43 2eo6A12 LYS 44 HE3 -0.10 0.03 -0.03 -0.04 2.99 2.84 2eo6A12 ASP 45 H 0.05 0.15 -0.10 -0.55 8.40 7.95 2eo6A12 ASP 45 HA -0.21 0.11 0.24 -0.75 4.63 4.02 2eo6A12 ASP 45 HB2 -0.40 0.04 -0.02 -0.04 2.71 2.29 2eo6A12 ASP 45 HB3 -0.35 -0.10 -0.06 -0.04 2.70 2.15 2eo6A12 GLY 46 H 0.12 0.68 0.40 -0.55 8.43 9.08 2eo6A12 GLY 46 HA2 0.10 -0.05 0.31 -0.51 4.01 3.85 2eo6A12 GLY 46 HA3 0.28 0.16 0.90 -0.51 4.01 4.85 2eo6A12 SER 47 H 0.32 0.44 0.24 -0.55 8.46 8.91 2eo6A12 SER 47 HA 0.32 0.14 0.49 -0.75 4.49 4.68 2eo6A12 SER 47 HB2 0.10 -0.04 0.17 -0.04 3.95 4.15 2eo6A12 SER 47 HB3 0.02 0.02 0.07 -0.04 3.93 4.01 2eo6A12 PHE 48 H 0.01 0.24 0.41 -0.55 8.34 8.45 2eo6A12 PHE 48 HA 0.13 0.37 0.89 -0.75 4.62 5.26 2eo6A12 PHE 48 HB2 0.06 -0.13 0.07 -0.04 3.15 3.11 2eo6A12 PHE 48 HB3 0.08 0.13 -0.14 -0.04 3.06 3.09 2eo6A12 PHE 48 HD2 0.02 0.04 -0.11 -0.04 7.28 7.18 2eo6A12 PHE 48 HE2 -0.54 -0.03 -0.27 -0.04 7.38 6.49 2eo6A12 PHE 48 HZ -0.38 -0.02 -0.15 -0.04 7.32 6.72 2eo6A12 LEU 49 H 0.29 0.23 0.24 -0.55 8.37 8.58 2eo6A12 LEU 49 HA 0.19 0.06 0.68 -0.75 4.35 4.51 2eo6A12 LEU 49 HB2 0.05 0.05 0.22 -0.04 1.64 1.91 2eo6A12 LEU 49 HB3 -0.00 0.33 -0.04 -0.04 1.64 1.88 2eo6A12 LEU 49 HG 0.11 -0.06 0.09 -0.04 1.64 1.74 2eo6A12 LEU 49 HD13 0.07 -0.04 -0.29 -0.04 0.93 0.64 2eo6A12 LEU 49 HD23 0.02 0.03 -0.05 -0.04 0.89 0.85 2eo6A12 ILE 50 H 0.56 0.24 0.07 -0.55 8.25 8.57 2eo6A12 ILE 50 HA 0.26 0.29 0.90 -0.75 4.18 4.87 2eo6A12 ILE 50 HB 0.71 -0.07 0.10 -0.04 1.89 2.59 2eo6A12 ILE 50 HG12 0.39 -0.05 -0.09 -0.04 1.49 1.69 2eo6A12 ILE 50 HG13 0.33 -0.03 -0.09 -0.04 1.21 1.38 2eo6A12 ILE 50 HG23 0.27 0.01 -0.15 -0.04 0.93 1.03 2eo6A12 ILE 50 HD13 0.11 0.05 -0.20 -0.04 0.88 0.80 2eo6A12 ARG 51 H 0.18 0.52 0.27 -0.55 8.46 8.88 2eo6A12 ARG 51 HA 0.05 0.17 0.99 -0.75 4.34 4.79 2eo6A12 ARG 51 HB2 0.04 0.15 -0.07 -0.04 1.90 1.99 2eo6A12 ARG 51 HB3 0.05 -0.04 -0.11 -0.04 1.80 1.66 2eo6A12 ARG 51 HG2 0.11 0.02 -0.01 -0.04 1.67 1.76 2eo6A12 ARG 51 HG3 0.09 0.00 -0.04 -0.04 1.67 1.68 2eo6A12 ARG 51 HD2 0.07 0.00 -0.11 -0.04 3.22 3.13 2eo6A12 ARG 51 HD3 0.07 -0.06 -0.12 -0.04 3.22 3.06 2eo6A12 LYS 52 H 0.10 0.47 0.12 -0.55 8.42 8.56 2eo6A12 LYS 52 HA 0.40 -0.06 0.35 -0.75 4.32 4.26 2eo6A12 LYS 52 HB2 0.25 -0.12 -0.07 -0.04 1.87 1.88 2eo6A12 LYS 52 HB3 0.07 0.03 -0.08 -0.04 1.79 1.78 2eo6A12 LYS 52 HG2 0.03 0.16 -0.12 -0.04 1.46 1.48 2eo6A12 LYS 52 HG3 0.06 0.00 0.14 -0.04 1.46 1.62 2eo6A12 LYS 52 HD2 0.19 -0.06 -0.02 -0.04 1.69 1.77 2eo6A12 LYS 52 HD3 0.12 -0.06 -0.05 -0.04 1.68 1.65 2eo6A12 LYS 52 HE2 -0.02 0.03 -0.00 -0.04 2.99 2.95 2eo6A12 LYS 52 HE3 0.04 -0.07 -0.01 -0.04 2.99 2.91 2eo6A12 SER 53 H -0.00 0.46 0.22 -0.55 8.46 8.59 2eo6A12 SER 53 HA -0.01 -0.06 0.14 -0.75 4.49 3.81 2eo6A12 SER 53 HB2 -0.09 -0.06 -0.05 -0.04 3.95 3.72 2eo6A12 SER 53 HB3 -0.14 0.19 0.12 -0.04 3.93 4.05 2eo6A12 SER 54 H -0.07 0.06 0.05 -0.55 8.46 7.95 2eo6A12 SER 54 HA -0.07 0.13 0.35 -0.75 4.49 4.15 2eo6A12 SER 54 HB2 -0.18 -0.01 0.03 -0.04 3.95 3.75 2eo6A12 SER 54 HB3 -0.08 0.02 0.09 -0.04 3.93 3.92 2eo6A12 GLY 55 H -0.24 -0.04 -0.34 -0.55 8.43 7.27 2eo6A12 GLY 55 HA2 -0.09 0.18 0.23 -0.51 4.01 3.81 2eo6A12 GLY 55 HA3 -0.14 0.13 0.53 -0.51 4.01 4.02 2eo6A12 HIS 56 H -0.79 0.07 -0.05 -0.55 8.41 7.10 2eo6A12 HIS 56 HA -0.02 0.27 0.94 -0.75 4.63 5.07 2eo6A12 HIS 56 HB2 -0.00 -0.01 0.11 -0.04 3.26 3.31 2eo6A12 HIS 56 HB3 -0.01 0.07 0.01 -0.04 3.20 3.23 2eo6A12 HIS 56 HD2 0.00 -0.01 0.12 -0.04 6.97 7.03 2eo6A12 HIS 56 HE1 0.00 0.03 -0.04 -0.04 7.75 7.69 2eo6A12 ASP 57 H -0.01 0.46 0.01 -0.55 8.40 8.31 2eo6A12 ASP 57 HA 0.02 0.02 0.42 -0.75 4.63 4.34 2eo6A12 ASP 57 HB2 -0.02 -0.16 -0.00 -0.04 2.71 2.48 2eo6A12 ASP 57 HB3 0.02 0.16 0.14 -0.04 2.70 2.97 2eo6A12 SER 58 H -0.02 -0.06 0.17 -0.55 8.46 8.00 2eo6A12 SER 58 HA -0.12 0.29 0.87 -0.75 4.49 4.78 2eo6A12 SER 58 HB2 -0.01 -0.07 0.08 -0.04 3.95 3.91 2eo6A12 SER 58 HB3 -0.03 0.04 -0.01 -0.04 3.93 3.89 2eo6A12 LYS 59 H -0.00 -0.02 0.19 -0.55 8.42 8.03 2eo6A12 LYS 59 HA 0.04 0.19 0.56 -0.75 4.32 4.36 2eo6A12 LYS 59 HB2 0.04 -0.01 0.09 -0.04 1.87 1.95 2eo6A12 LYS 59 HB3 0.08 0.03 0.15 -0.04 1.79 2.01 2eo6A12 LYS 59 HG2 0.03 -0.10 0.13 -0.04 1.46 1.48 2eo6A12 LYS 59 HG3 0.05 0.04 0.08 -0.04 1.46 1.58 2eo6A12 LYS 59 HD2 0.09 0.08 0.11 -0.04 1.69 1.93 2eo6A12 LYS 59 HD3 0.05 -0.00 -0.04 -0.04 1.68 1.65 2eo6A12 LYS 59 HE2 0.04 -0.00 0.04 -0.04 2.99 3.02 2eo6A12 LYS 59 HE3 0.05 -0.00 0.05 -0.04 2.99 3.05 2eo6A12 GLN 60 H -0.02 -0.10 -0.27 -0.55 8.47 7.54 2eo6A12 GLN 60 HA 0.06 0.35 0.71 -0.75 4.36 4.73 2eo6A12 GLN 60 HB2 0.05 -0.03 -0.13 -0.04 2.15 1.99 2eo6A12 GLN 60 HB3 0.01 -0.08 0.06 -0.04 2.02 1.97 2eo6A12 GLN 60 HG2 0.09 0.26 -0.24 -0.04 2.40 2.48 2eo6A12 GLN 60 HG3 0.07 -0.14 -0.12 -0.04 2.39 2.16 2eo6A12 GLN 60 HE21 0.04 -0.01 -0.07 -0.04 6.97 6.89 2eo6A12 GLN 60 HE22 0.02 -0.12 -0.13 -0.04 7.69 7.42 2eo6A12 PRO 61 HA -0.40 0.08 0.34 -0.51 4.44 3.95 2eo6A12 PRO 61 HB2 -1.00 -0.05 -0.08 -0.04 2.28 1.12 2eo6A12 PRO 61 HB3 -0.77 0.03 0.02 -0.04 2.02 1.26 2eo6A12 PRO 61 HG2 0.21 -0.01 0.06 -0.04 2.03 2.25 2eo6A12 PRO 61 HG3 -0.05 0.02 -0.00 -0.04 2.03 1.95 2eo6A12 PRO 61 HD2 0.11 0.42 0.27 -0.04 3.68 4.44 2eo6A12 PRO 61 HD3 -0.10 0.25 -0.25 -0.04 3.65 3.51 2eo6A12 TYR 62 H 0.07 0.33 -0.06 -0.55 8.29 8.08 2eo6A12 TYR 62 HA 0.09 0.15 0.73 -0.75 4.56 4.78 2eo6A12 TYR 62 HB2 0.15 0.02 -0.08 -0.04 3.06 3.11 2eo6A12 TYR 62 HB3 0.16 -0.02 -0.06 -0.04 2.98 3.03 2eo6A12 TYR 62 HD2 0.19 0.02 -0.09 -0.04 7.15 7.22 2eo6A12 TYR 62 HE2 0.16 -0.01 -0.09 -0.04 6.85 6.87 2eo6A12 THR 63 H 0.28 0.29 0.03 -0.55 8.28 8.33 2eo6A12 THR 63 HA 0.15 -0.08 0.90 -0.75 4.39 4.62 2eo6A12 THR 63 HB 0.12 0.15 -0.05 -0.04 4.32 4.50 2eo6A12 THR 63 HG23 0.10 0.02 -0.37 -0.04 1.22 0.93 2eo6A12 LEU 64 H 0.12 0.76 0.35 -0.55 8.37 9.05 2eo6A12 LEU 64 HA 0.16 0.11 0.85 -0.75 4.35 4.72 2eo6A12 LEU 64 HB2 0.05 -0.02 -0.01 -0.04 1.64 1.62 2eo6A12 LEU 64 HB3 0.09 0.02 0.15 -0.04 1.64 1.86 2eo6A12 LEU 64 HG 0.13 0.00 -0.25 -0.04 1.64 1.48 2eo6A12 LEU 64 HD13 0.06 -0.01 -0.08 -0.04 0.93 0.86 2eo6A12 LEU 64 HD23 0.07 0.01 -0.07 -0.04 0.89 0.86 2eo6A12 VAL 65 H 0.20 0.14 0.10 -0.55 8.24 8.14 2eo6A12 VAL 65 HA 0.17 0.38 1.06 -0.75 4.13 4.99 2eo6A12 VAL 65 HB 0.16 0.12 0.25 -0.04 2.12 2.60 2eo6A12 VAL 65 HG13 0.16 -0.02 -0.28 -0.04 0.97 0.78 2eo6A12 VAL 65 HG23 0.12 0.01 -0.31 -0.04 0.95 0.74 2eo6A12 ALA 66 H 0.20 0.48 0.23 -0.55 8.40 8.76 2eo6A12 ALA 66 HA 0.25 0.29 0.92 -0.75 4.34 5.05 2eo6A12 ALA 66 HB3 0.13 0.00 0.05 -0.04 1.41 1.54 2eo6A12 PHE 67 H 0.32 0.77 0.22 -0.55 8.34 9.11 2eo6A12 PHE 67 HA 0.12 0.13 0.98 -0.75 4.62 5.09 2eo6A12 PHE 67 HB2 0.01 -0.03 -0.03 -0.04 3.15 3.06 2eo6A12 PHE 67 HB3 0.04 -0.01 0.15 -0.04 3.06 3.19 2eo6A12 PHE 67 HD2 -0.17 -0.07 -0.21 -0.04 7.28 6.79 2eo6A12 PHE 67 HE2 -0.25 -0.13 -0.26 -0.04 7.38 6.70 2eo6A12 PHE 67 HZ -0.09 -0.03 0.02 -0.04 7.32 7.19 2eo6A12 PHE 68 H -0.07 0.40 0.02 -0.55 8.34 8.13 2eo6A12 PHE 68 HA -0.27 0.12 0.74 -0.75 4.62 4.46 2eo6A12 PHE 68 HB2 -0.09 0.04 -0.15 -0.04 3.15 2.91 2eo6A12 PHE 68 HB3 -0.07 0.07 -0.14 -0.04 3.06 2.88 2eo6A12 PHE 68 HD2 -0.13 0.02 -0.13 -0.04 7.28 7.01 2eo6A12 PHE 68 HE2 -0.09 0.01 -0.29 -0.04 7.38 6.96 2eo6A12 PHE 68 HZ -0.08 0.07 -0.14 -0.04 7.32 7.13 2eo6A12 ASN 69 H -0.12 0.14 0.04 -0.55 8.53 8.04 2eo6A12 ASN 69 HA -0.21 -0.01 0.35 -0.75 4.76 4.13 2eo6A12 ASN 69 HB2 0.13 0.01 0.14 -0.04 2.88 3.11 2eo6A12 ASN 69 HB3 -0.00 0.05 0.04 -0.04 2.79 2.84 2eo6A12 ASN 69 HD21 -0.08 0.02 0.04 -0.04 7.03 6.96 2eo6A12 ASN 69 HD22 -0.12 0.03 0.03 -0.04 7.74 7.63 2eo6A12 LYS 70 H -0.27 0.10 0.28 -0.55 8.42 7.98 2eo6A12 LYS 70 HA 0.11 0.02 0.37 -0.75 4.32 4.06 2eo6A12 LYS 70 HB2 0.04 0.14 -0.04 -0.04 1.87 1.97 2eo6A12 LYS 70 HB3 0.11 -0.02 0.20 -0.04 1.79 2.04 2eo6A12 LYS 70 HG2 0.04 -0.09 -0.05 -0.04 1.46 1.33 2eo6A12 LYS 70 HG3 0.05 -0.01 -0.05 -0.04 1.46 1.41 2eo6A12 LYS 70 HD2 0.17 0.05 0.08 -0.04 1.69 1.94 2eo6A12 LYS 70 HD3 0.09 0.02 0.03 -0.04 1.68 1.77 2eo6A12 LYS 70 HE2 0.10 -0.01 0.04 -0.04 2.99 3.07 2eo6A12 LYS 70 HE3 0.10 0.02 0.02 -0.04 2.99 3.10 2eo6A12 ARG 71 H -0.59 0.52 -0.09 -0.55 8.46 7.74 2eo6A12 ARG 71 HA 0.09 0.06 0.39 -0.75 4.34 4.14 2eo6A12 ARG 71 HB2 0.03 -0.06 0.02 -0.04 1.90 1.85 2eo6A12 ARG 71 HB3 0.06 0.24 -0.11 -0.04 1.80 1.95 2eo6A12 ARG 71 HG2 0.03 -0.00 -1.00 -0.04 1.67 0.66 2eo6A12 ARG 71 HG3 0.32 -0.13 -0.38 -0.04 1.67 1.44 2eo6A12 ARG 71 HD2 0.23 -0.08 -0.16 -0.04 3.22 3.17 2eo6A12 ARG 71 HD3 0.14 0.00 -0.13 -0.04 3.22 3.20 2eo6A12 VAL 72 H 0.06 0.25 0.15 -0.55 8.24 8.14 2eo6A12 VAL 72 HA 0.25 0.26 0.91 -0.75 4.13 4.79 2eo6A12 VAL 72 HB 0.20 -0.05 -0.06 -0.04 2.12 2.17 2eo6A12 VAL 72 HG13 0.19 0.00 -0.37 -0.04 0.97 0.76 2eo6A12 VAL 72 HG23 0.20 -0.01 -0.40 -0.04 0.95 0.70 2eo6A12 TYR 73 H 0.36 0.75 0.24 -0.55 8.29 9.09 2eo6A12 TYR 73 HA 0.05 0.13 1.00 -0.75 4.56 4.99 2eo6A12 TYR 73 HB2 0.05 0.02 0.16 -0.04 3.06 3.25 2eo6A12 TYR 73 HB3 0.02 -0.02 -0.04 -0.04 2.98 2.90 2eo6A12 TYR 73 HD2 -0.00 -0.05 -0.19 -0.04 7.15 6.87 2eo6A12 TYR 73 HE2 -0.08 -0.01 -0.08 -0.04 6.85 6.64 2eo6A12 ASN 74 H 0.08 0.17 0.10 -0.55 8.53 8.34 2eo6A12 ASN 74 HA 0.13 0.38 1.02 -0.75 4.76 5.53 2eo6A12 ASN 74 HB2 0.07 -0.04 0.17 -0.04 2.88 3.04 2eo6A12 ASN 74 HB3 0.08 0.04 -0.00 -0.04 2.79 2.87 2eo6A12 ASN 74 HD21 0.11 0.10 -0.32 -0.04 7.03 6.89 2eo6A12 ASN 74 HD22 0.10 0.02 -0.25 -0.04 7.74 7.56 2eo6A12 ILE 75 H 0.12 0.65 0.25 -0.55 8.25 8.72 2eo6A12 ILE 75 HA 0.09 0.18 0.93 -0.75 4.18 4.63 2eo6A12 ILE 75 HB 0.09 -0.03 0.11 -0.04 1.89 2.02 2eo6A12 ILE 75 HG12 0.10 0.01 -0.12 -0.04 1.49 1.44 2eo6A12 ILE 75 HG13 0.14 -0.06 -0.31 -0.04 1.21 0.94 2eo6A12 ILE 75 HG23 0.08 0.01 -0.03 -0.04 0.93 0.95 2eo6A12 ILE 75 HD13 0.06 0.02 -0.06 -0.04 0.88 0.85 2eo6A12 PRO 76 HA 0.10 0.09 0.52 -0.51 4.44 4.64 2eo6A12 PRO 76 HB2 0.08 0.03 -0.05 -0.04 2.28 2.30 2eo6A12 PRO 76 HB3 0.07 0.05 0.07 -0.04 2.02 2.17 2eo6A12 PRO 76 HG2 0.07 -0.09 0.09 -0.04 2.03 2.06 2eo6A12 PRO 76 HG3 0.06 0.06 0.09 -0.04 2.03 2.21 2eo6A12 PRO 76 HD2 0.07 0.01 0.34 -0.04 3.68 4.06 2eo6A12 PRO 76 HD3 0.07 0.31 0.26 -0.04 3.65 4.24 2eo6A12 VAL 77 H 0.14 0.38 0.39 -0.55 8.24 8.60 2eo6A12 VAL 77 HA 0.16 0.28 0.80 -0.75 4.13 4.62 2eo6A12 VAL 77 HB 0.28 -0.03 -0.01 -0.04 2.12 2.32 2eo6A12 VAL 77 HG13 0.32 0.02 -0.06 -0.04 0.97 1.21 2eo6A12 VAL 77 HG23 0.11 -0.04 -0.10 -0.04 0.95 0.89 2eo6A12 ARG 78 H 0.14 0.37 0.06 -0.55 8.46 8.48 2eo6A12 ARG 78 HA 0.13 0.06 0.26 -0.75 4.34 4.03 2eo6A12 ARG 78 HB2 0.12 0.13 -0.05 -0.04 1.90 2.05 2eo6A12 ARG 78 HB3 0.11 -0.08 -0.05 -0.04 1.80 1.75 2eo6A12 ARG 78 HG2 0.08 -0.10 -0.10 -0.04 1.67 1.51 2eo6A12 ARG 78 HG3 0.09 -0.04 -0.15 -0.04 1.67 1.53 2eo6A12 ARG 78 HD2 0.06 -0.11 -0.03 -0.04 3.22 3.10 2eo6A12 ARG 78 HD3 0.08 0.28 0.04 -0.04 3.22 3.58 2eo6A12 PHE 79 H 0.17 0.18 0.19 -0.55 8.34 8.33 2eo6A12 PHE 79 HA -0.13 0.20 0.94 -0.75 4.62 4.87 2eo6A12 PHE 79 HB2 -0.37 0.03 -0.06 -0.04 3.15 2.70 2eo6A12 PHE 79 HB3 -0.05 0.06 0.17 -0.04 3.06 3.20 2eo6A12 PHE 79 HD2 -1.02 -0.09 -0.29 -0.04 7.28 5.83 2eo6A12 PHE 79 HE2 -0.07 -0.02 -0.18 -0.04 7.38 7.07 2eo6A12 PHE 79 HZ -0.11 0.00 -0.02 -0.04 7.32 7.15 2eo6A12 ILE 80 H -0.42 0.64 0.18 -0.55 8.25 8.10 2eo6A12 ILE 80 HA -0.04 0.09 0.78 -0.75 4.18 4.25 2eo6A12 ILE 80 HB -0.23 -0.01 0.06 -0.04 1.89 1.67 2eo6A12 ILE 80 HG12 0.02 0.03 -0.07 -0.04 1.49 1.42 2eo6A12 ILE 80 HG13 0.02 0.02 -0.12 -0.04 1.21 1.09 2eo6A12 ILE 80 HG23 -0.12 -0.07 -0.09 -0.04 0.93 0.61 2eo6A12 ILE 80 HD13 0.15 0.05 -0.25 -0.04 0.88 0.79 2eo6A12 GLU 81 H 0.02 0.19 0.24 -0.55 8.60 8.50 2eo6A12 GLU 81 HA 0.14 0.19 0.61 -0.75 4.29 4.48 2eo6A12 GLU 81 HB2 0.18 0.07 0.14 -0.04 2.09 2.44 2eo6A12 GLU 81 HB3 0.06 -0.04 0.15 -0.04 1.99 2.12 2eo6A12 GLU 81 HG2 0.06 0.03 -0.13 -0.04 2.34 2.26 2eo6A12 GLU 81 HG3 0.15 0.03 0.04 -0.04 2.34 2.52 2eo6A12 ALA 82 H -0.03 0.08 0.08 -0.55 8.40 7.98 2eo6A12 ALA 82 HA -0.03 0.08 0.34 -0.75 4.34 3.98 2eo6A12 ALA 82 HB3 -0.06 0.01 0.06 -0.04 1.41 1.37 2eo6A12 THR 83 H -0.15 -0.13 -0.81 -0.55 8.28 6.64 2eo6A12 THR 83 HA -0.09 0.23 0.86 -0.75 4.39 4.64 2eo6A12 THR 83 HB -0.14 0.04 0.04 -0.04 4.32 4.22 2eo6A12 THR 83 HG23 -0.16 0.03 -0.19 -0.04 1.22 0.86 2eo6A12 LYS 84 H -0.19 -0.11 -0.17 -0.55 8.42 7.39 2eo6A12 LYS 84 HA -0.46 0.01 0.46 -0.75 4.32 3.58 2eo6A12 LYS 84 HB2 0.00 0.16 0.04 -0.04 1.87 2.03 2eo6A12 LYS 84 HB3 0.19 -0.08 0.22 -0.04 1.79 2.08 2eo6A12 LYS 84 HG2 0.01 0.22 -0.14 -0.04 1.46 1.51 2eo6A12 LYS 84 HG3 0.04 -0.05 -0.06 -0.04 1.46 1.35 2eo6A12 LYS 84 HD2 0.35 -0.01 0.10 -0.04 1.69 2.09 2eo6A12 LYS 84 HD3 0.10 -0.03 0.04 -0.04 1.68 1.75 2eo6A12 LYS 84 HE2 0.12 0.02 0.03 -0.04 2.99 3.11 2eo6A12 LYS 84 HE3 0.01 -0.07 0.01 -0.04 2.99 2.90 2eo6A12 GLN 85 H -0.52 0.08 -0.05 -0.55 8.47 7.42 2eo6A12 GLN 85 HA -0.03 0.32 1.00 -0.75 4.36 4.89 2eo6A12 GLN 85 HB2 -0.13 -0.18 -0.06 -0.04 2.15 1.73 2eo6A12 GLN 85 HB3 0.09 0.12 0.11 -0.04 2.02 2.30 2eo6A12 GLN 85 HG2 0.02 -0.01 -0.19 -0.04 2.40 2.17 2eo6A12 GLN 85 HG3 -0.09 0.25 -0.42 -0.04 2.39 2.09 2eo6A12 GLN 85 HE21 -0.05 0.08 -0.06 -0.04 6.97 6.90 2eo6A12 GLN 85 HE22 -0.10 -0.05 -0.06 -0.04 7.69 7.43 2eo6A12 TYR 86 H 0.34 0.68 0.20 -0.55 8.29 8.96 2eo6A12 TYR 86 HA 0.15 0.26 0.99 -0.75 4.56 5.21 2eo6A12 TYR 86 HB2 0.20 -0.10 -0.20 -0.04 3.06 2.92 2eo6A12 TYR 86 HB3 0.18 0.08 -0.08 -0.04 2.98 3.11 2eo6A12 TYR 86 HD2 0.27 0.18 -0.26 -0.04 7.15 7.30 2eo6A12 TYR 86 HE2 0.43 0.06 -0.00 -0.04 6.85 7.29 2eo6A12 ALA 87 H 0.28 0.71 0.11 -0.55 8.40 8.95 2eo6A12 ALA 87 HA 0.27 0.19 0.73 -0.75 4.34 4.78 2eo6A12 ALA 87 HB3 0.11 0.00 -0.21 -0.04 1.41 1.27 2eo6A12 LEU 88 H 0.12 0.18 0.09 -0.55 8.37 8.21 2eo6A12 LEU 88 HA 0.11 0.16 0.91 -0.75 4.35 4.77 2eo6A12 LEU 88 HB2 0.12 0.00 0.08 -0.04 1.64 1.80 2eo6A12 LEU 88 HB3 0.08 0.00 -0.06 -0.04 1.64 1.63 2eo6A12 LEU 88 HG 0.15 0.05 -0.06 -0.04 1.64 1.73 2eo6A12 LEU 88 HD13 0.04 -0.01 -0.11 -0.04 0.93 0.81 2eo6A12 LEU 88 HD23 0.05 0.01 -0.24 -0.04 0.89 0.67 2eo6A12 GLY 89 H 0.09 0.25 0.08 -0.55 8.43 8.30 2eo6A12 GLY 89 HA2 0.07 -0.00 0.43 -0.51 4.01 4.00 2eo6A12 GLY 89 HA3 0.05 0.08 0.46 -0.51 4.01 4.09 2eo6A12 LYS 90 H 0.05 0.11 0.22 -0.55 8.42 8.25 2eo6A12 LYS 90 HA 0.05 0.19 0.78 -0.75 4.32 4.59 2eo6A12 LYS 90 HB2 0.04 0.01 0.06 -0.04 1.87 1.94 2eo6A12 LYS 90 HB3 0.04 0.00 0.13 -0.04 1.79 1.92 2eo6A12 LYS 90 HG2 0.05 0.03 -0.07 -0.04 1.46 1.43 2eo6A12 LYS 90 HG3 0.05 -0.04 0.05 -0.04 1.46 1.47 2eo6A12 LYS 90 HD2 0.04 0.01 0.03 -0.04 1.69 1.73 2eo6A12 LYS 90 HD3 0.04 0.01 0.04 -0.04 1.68 1.72 2eo6A12 LYS 90 HE2 0.04 0.01 0.03 -0.04 2.99 3.02 2eo6A12 LYS 90 HE3 0.04 -0.02 0.01 -0.04 2.99 2.99 2eo6A12 LYS 91 H 0.03 0.10 0.06 -0.55 8.42 8.06 2eo6A12 LYS 91 HA 0.02 0.10 0.51 -0.75 4.32 4.19 2eo6A12 LYS 91 HB2 0.02 0.07 -0.30 -0.04 1.87 1.62 2eo6A12 LYS 91 HB3 0.02 -0.02 -0.02 -0.04 1.79 1.72 2eo6A12 LYS 91 HG2 0.01 -0.06 -0.08 -0.04 1.46 1.29 2eo6A12 LYS 91 HG3 0.02 0.06 0.06 -0.04 1.46 1.56 2eo6A12 LYS 91 HD2 0.01 -0.02 -0.06 -0.04 1.69 1.59 2eo6A12 LYS 91 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.60 2eo6A12 LYS 91 HE2 0.02 0.01 -0.01 -0.04 2.99 2.97 2eo6A12 LYS 91 HE3 0.02 0.02 -0.04 -0.04 2.99 2.95 2eo6A12 LYS 92 H 0.01 0.18 -0.01 -0.55 8.42 8.04 2eo6A12 LYS 92 HA -0.00 0.04 0.48 -0.75 4.32 4.09 2eo6A12 LYS 92 HB2 -0.02 -0.02 -0.18 -0.04 1.87 1.61 2eo6A12 LYS 92 HB3 -0.02 0.07 -0.15 -0.04 1.79 1.64 2eo6A12 LYS 92 HG2 0.00 -0.01 0.21 -0.04 1.46 1.62 2eo6A12 LYS 92 HG3 0.01 0.04 -0.15 -0.04 1.46 1.32 2eo6A12 LYS 92 HD2 -0.01 0.01 -0.05 -0.04 1.69 1.60 2eo6A12 LYS 92 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.60 2eo6A12 LYS 92 HE2 0.04 -0.00 -0.07 -0.04 2.99 2.91 2eo6A12 LYS 92 HE3 0.03 0.22 -0.14 -0.04 2.99 3.06 2eo6A12 ASN 93 H -0.01 0.14 0.05 -0.55 8.53 8.16 2eo6A12 ASN 93 HA -0.00 -0.04 0.40 -0.75 4.76 4.36 2eo6A12 ASN 93 HB2 -0.01 0.06 0.08 -0.04 2.88 2.97 2eo6A12 ASN 93 HB3 -0.01 0.02 0.05 -0.04 2.79 2.81 2eo6A12 ASN 93 HD21 -0.01 0.04 0.05 -0.04 7.03 7.07 2eo6A12 ASN 93 HD22 -0.00 0.02 0.02 -0.04 7.74 7.74 2eo6A12 GLY 94 H -0.01 0.06 0.22 -0.55 8.43 8.15 2eo6A12 GLY 94 HA2 -0.02 0.00 0.36 -0.51 4.01 3.85 2eo6A12 GLY 94 HA3 -0.02 0.03 0.38 -0.51 4.01 3.89 2eo6A12 GLU 95 H -0.10 0.08 0.02 -0.55 8.60 8.05 2eo6A12 GLU 95 HA -0.10 0.14 0.60 -0.75 4.29 4.17 2eo6A12 GLU 95 HB2 -0.16 0.02 -0.04 -0.04 2.09 1.86 2eo6A12 GLU 95 HB3 -0.09 0.02 -0.06 -0.04 1.99 1.83 2eo6A12 GLU 95 HG2 -0.13 0.03 0.08 -0.04 2.34 2.28 2eo6A12 GLU 95 HG3 -0.59 -0.04 -0.08 -0.04 2.34 1.59 2eo6A12 GLU 96 H -0.14 0.14 0.13 -0.55 8.60 8.19 2eo6A12 GLU 96 HA -0.25 0.07 0.62 -0.75 4.29 3.98 2eo6A12 GLU 96 HB2 -0.16 0.03 0.06 -0.04 2.09 1.98 2eo6A12 GLU 96 HB3 -0.26 -0.02 0.08 -0.04 1.99 1.76 2eo6A12 GLU 96 HG2 -0.78 0.08 -0.28 -0.04 2.34 1.32 2eo6A12 GLU 96 HG3 -0.25 -0.03 0.04 -0.04 2.34 2.05 2eo6A12 TYR 97 H -0.12 0.12 0.17 -0.55 8.29 7.90 2eo6A12 TYR 97 HA -0.08 0.25 0.79 -0.75 4.56 4.76 2eo6A12 TYR 97 HB2 -0.11 -0.03 0.05 -0.04 3.06 2.93 2eo6A12 TYR 97 HB3 -0.05 0.03 -0.01 -0.04 2.98 2.91 2eo6A12 TYR 97 HD2 -0.05 0.01 -0.08 -0.04 7.15 6.99 2eo6A12 TYR 97 HE2 -0.03 -0.03 -0.07 -0.04 6.85 6.68 2eo6A12 PHE 98 H 0.36 0.61 0.29 -0.55 8.34 9.05 2eo6A12 PHE 98 HA 0.07 0.21 0.92 -0.75 4.62 5.06 2eo6A12 PHE 98 HB2 0.08 0.02 -0.04 -0.04 3.15 3.16 2eo6A12 PHE 98 HB3 0.01 -0.14 0.07 -0.04 3.06 2.96 2eo6A12 PHE 98 HD2 0.02 0.05 -0.14 -0.04 7.28 7.17 2eo6A12 PHE 98 HE2 0.03 0.01 -0.07 -0.04 7.38 7.30 2eo6A12 PHE 98 HZ 0.16 0.01 -0.07 -0.04 7.32 7.37 2eo6A12 GLY 99 H 0.20 0.12 0.18 -0.55 8.43 8.38 2eo6A12 GLY 99 HA2 0.16 0.22 0.63 -0.51 4.01 4.52 2eo6A12 GLY 99 HA3 0.13 0.02 0.37 -0.51 4.01 4.02 2eo6A12 SER 100 H 0.13 0.05 0.09 -0.55 8.46 8.18 2eo6A12 SER 100 HA -0.07 0.29 0.63 -0.75 4.49 4.60 2eo6A12 SER 100 HB2 0.03 -0.04 -0.04 -0.04 3.95 3.86 2eo6A12 SER 100 HB3 -0.08 -0.16 0.12 -0.04 3.93 3.78 2eo6A12 VAL 101 H -0.51 0.24 0.11 -0.55 8.24 7.53 2eo6A12 VAL 101 HA -0.35 0.14 0.40 -0.75 4.13 3.57 2eo6A12 VAL 101 HB -0.22 0.01 0.07 -0.04 2.12 1.94 2eo6A12 VAL 101 HG13 -0.08 0.01 -0.12 -0.04 0.97 0.74 2eo6A12 VAL 101 HG23 -0.32 0.02 -0.03 -0.04 0.95 0.59 2eo6A12 VAL 102 H -0.11 0.13 -0.05 -0.55 8.24 7.67 2eo6A12 VAL 102 HA -0.13 0.11 0.36 -0.75 4.13 3.72 2eo6A12 VAL 102 HB -0.01 -0.07 0.05 -0.04 2.12 2.06 2eo6A12 VAL 102 HG13 0.07 0.02 -0.06 -0.04 0.97 0.96 2eo6A12 VAL 102 HG23 0.13 0.04 0.10 -0.04 0.95 1.17 2eo6A12 GLU 103 H -0.10 0.04 -0.42 -0.55 8.60 7.58 2eo6A12 GLU 103 HA -0.07 0.08 0.37 -0.75 4.29 3.91 2eo6A12 GLU 103 HB2 0.02 0.02 0.13 -0.04 2.09 2.22 2eo6A12 GLU 103 HB3 0.11 0.07 -0.01 -0.04 1.99 2.12 2eo6A12 GLU 103 HG2 0.01 -0.01 0.02 -0.04 2.34 2.32 2eo6A12 GLU 103 HG3 0.06 -0.06 0.08 -0.04 2.34 2.38 2eo6A12 ILE 104 H -0.37 0.29 -0.27 -0.55 8.25 7.35 2eo6A12 ILE 104 HA -1.22 0.04 0.31 -0.75 4.18 2.55 2eo6A12 ILE 104 HB -0.57 0.19 0.11 -0.04 1.89 1.59 2eo6A12 ILE 104 HG12 -2.02 0.02 -0.08 -0.04 1.49 -0.63 2eo6A12 ILE 104 HG13 -0.60 0.05 0.03 -0.04 1.21 0.64 2eo6A12 ILE 104 HG23 -0.91 -0.00 -0.18 -0.04 0.93 -0.20 2eo6A12 ILE 104 HD13 -0.18 -0.02 -0.19 -0.04 0.88 0.46 2eo6A12 VAL 105 H -0.53 0.32 -0.35 -0.55 8.24 7.13 2eo6A12 VAL 105 HA -0.66 0.09 0.52 -0.75 4.13 3.33 2eo6A12 VAL 105 HB -0.76 0.07 0.15 -0.04 2.12 1.54 2eo6A12 VAL 105 HG13 -1.12 0.00 -0.16 -0.04 0.97 -0.36 2eo6A12 VAL 105 HG23 -1.04 -0.00 -0.06 -0.04 0.95 -0.20 2eo6A12 ASN 106 H -0.29 0.66 0.13 -0.55 8.53 8.48 2eo6A12 ASN 106 HA -0.09 0.05 0.36 -0.75 4.76 4.32 2eo6A12 ASN 106 HB2 -0.09 -0.01 0.15 -0.04 2.88 2.89 2eo6A12 ASN 106 HB3 -0.04 0.00 -0.03 -0.04 2.79 2.67 2eo6A12 ASN 106 HD21 -0.01 -0.04 -0.05 -0.04 7.03 6.89 2eo6A12 ASN 106 HD22 0.03 0.00 -0.02 -0.04 7.74 7.71 2eo6A12 SER 107 H -0.12 0.64 -0.16 -0.55 8.46 8.27 2eo6A12 SER 107 HA -0.01 0.01 0.43 -0.75 4.49 4.17 2eo6A12 SER 107 HB2 0.04 0.21 0.08 -0.04 3.95 4.24 2eo6A12 SER 107 HB3 0.18 -0.01 -0.07 -0.04 3.93 3.99 2eo6A12 HIS 108 H -0.09 0.27 -0.31 -0.55 8.41 7.73 2eo6A12 HIS 108 HA -0.07 0.16 0.43 -0.75 4.63 4.41 2eo6A12 HIS 108 HB2 -0.33 0.04 0.32 -0.04 3.26 3.25 2eo6A12 HIS 108 HB3 -0.22 -0.15 0.07 -0.04 3.20 2.86 2eo6A12 HIS 108 HD2 -0.21 -0.10 -0.02 -0.04 6.97 6.60 2eo6A12 HIS 108 HE1 0.08 -0.08 -0.04 -0.04 7.75 7.67 2eo6A12 GLN 109 H -0.08 0.62 -0.22 -0.55 8.47 8.24 2eo6A12 GLN 109 HA -0.12 0.19 0.31 -0.75 4.36 3.98 2eo6A12 GLN 109 HB2 0.15 0.23 0.12 -0.04 2.15 2.61 2eo6A12 GLN 109 HB3 -0.07 -0.06 -0.01 -0.04 2.02 1.84 2eo6A12 GLN 109 HG2 -0.09 0.04 -0.03 -0.04 2.40 2.28 2eo6A12 GLN 109 HG3 -0.22 0.13 -0.04 -0.04 2.39 2.22 2eo6A12 GLN 109 HE21 -0.12 -0.04 -0.19 -0.04 6.97 6.58 2eo6A12 GLN 109 HE22 0.02 -0.07 -0.06 -0.04 7.69 7.54 2eo6A12 HIS 110 H 0.22 0.20 -0.54 -0.55 8.41 7.75 2eo6A12 HIS 110 HA -0.04 0.11 0.78 -0.75 4.63 4.72 2eo6A12 HIS 110 HB2 -0.01 0.02 0.13 -0.04 3.26 3.35 2eo6A12 HIS 110 HB3 -0.02 -0.08 0.02 -0.04 3.20 3.07 2eo6A12 HIS 110 HD2 -0.01 -0.04 -0.01 -0.04 6.97 6.86 2eo6A12 HIS 110 HE1 -0.02 -0.04 -0.03 -0.04 7.75 7.62 2eo6A12 ASN 111 H 0.10 0.44 0.17 -0.55 8.53 8.70 2eo6A12 ASN 111 HA 0.01 0.04 0.60 -0.75 4.76 4.67 2eo6A12 ASN 111 HB2 0.05 -0.02 -0.01 -0.04 2.88 2.86 2eo6A12 ASN 111 HB3 0.01 -0.02 0.03 -0.04 2.79 2.77 2eo6A12 ASN 111 HD21 0.09 0.02 -0.02 -0.04 7.03 7.08 2eo6A12 ASN 111 HD22 0.02 -0.09 0.03 -0.04 7.74 7.66 2eo6A12 PRO 112 HA -0.08 0.17 -0.07 -0.51 4.44 3.94 2eo6A12 PRO 112 HB2 -0.05 -0.13 -0.23 -0.04 2.28 1.83 2eo6A12 PRO 112 HB3 -0.03 0.04 -0.17 -0.04 2.02 1.82 2eo6A12 PRO 112 HG2 -0.04 -0.04 0.04 -0.04 2.03 1.96 2eo6A12 PRO 112 HG3 -0.02 0.03 0.02 -0.04 2.03 2.02 2eo6A12 PRO 112 HD2 -0.02 0.02 0.21 -0.04 3.68 3.86 2eo6A12 PRO 112 HD3 -0.02 0.26 0.21 -0.04 3.65 4.06 2eo6A12 LEU 113 H -0.14 0.61 0.20 -0.55 8.37 8.48 2eo6A12 LEU 113 HA -0.26 0.17 0.91 -0.75 4.35 4.41 2eo6A12 LEU 113 HB2 -0.92 0.07 0.04 -0.04 1.64 0.79 2eo6A12 LEU 113 HB3 -0.22 0.03 0.24 -0.04 1.64 1.66 2eo6A12 LEU 113 HG -0.09 0.02 -0.10 -0.04 1.64 1.42 2eo6A12 LEU 113 HD13 -0.07 -0.01 -0.04 -0.04 0.93 0.78 2eo6A12 LEU 113 HD23 0.11 -0.02 -0.02 -0.04 0.89 0.91 2eo6A12 VAL 114 H -0.10 0.24 -0.09 -0.55 8.24 7.74 2eo6A12 VAL 114 HA -0.11 -0.06 0.11 -0.75 4.13 3.32 2eo6A12 VAL 114 HB -0.06 0.04 0.00 -0.04 2.12 2.06 2eo6A12 VAL 114 HG13 -0.05 -0.00 -0.04 -0.04 0.97 0.83 2eo6A12 VAL 114 HG23 -0.07 -0.01 -0.27 -0.04 0.95 0.55 2eo6A12 LEU 115 H -0.22 0.41 -0.03 -0.55 8.37 7.98 2eo6A12 LEU 115 HA -0.11 0.14 0.92 -0.75 4.35 4.54 2eo6A12 LEU 115 HB2 -0.76 -0.03 0.32 -0.04 1.64 1.13 2eo6A12 LEU 115 HB3 -0.44 -0.09 0.07 -0.04 1.64 1.14 2eo6A12 LEU 115 HG -0.23 0.21 0.12 -0.04 1.64 1.69 2eo6A12 LEU 115 HD13 -0.51 -0.03 -0.05 -0.04 0.93 0.30 2eo6A12 LEU 115 HD23 -0.08 -0.01 -0.03 -0.04 0.89 0.73 2eo6A12 ILE 116 H -0.04 0.24 -0.10 -0.55 8.25 7.80 2eo6A12 ILE 116 HA -0.03 0.25 0.57 -0.75 4.18 4.21 2eo6A12 ILE 116 HB -0.01 0.00 0.11 -0.04 1.89 1.95 2eo6A12 ILE 116 HG12 -0.04 0.04 -0.15 -0.04 1.49 1.30 2eo6A12 ILE 116 HG13 -0.05 -0.09 -0.27 -0.04 1.21 0.75 2eo6A12 ILE 116 HG23 -0.00 -0.00 -0.21 -0.04 0.93 0.68 2eo6A12 ILE 116 HD13 -0.02 0.01 -0.07 -0.04 0.88 0.75 2eo6A12 ASP 117 H 0.09 0.69 0.03 -0.55 8.40 8.67 2eo6A12 ASP 117 HA 0.07 0.06 0.69 -0.75 4.63 4.70 2eo6A12 ASP 117 HB2 0.36 0.05 0.03 -0.04 2.71 3.10 2eo6A12 ASP 117 HB3 0.13 0.11 0.17 -0.04 2.70 3.07 2eo6A12 SER 118 H 0.03 0.23 0.15 -0.55 8.46 8.33 2eo6A12 SER 118 HA 0.01 0.05 0.26 -0.75 4.49 4.06 2eo6A12 SER 118 HB2 0.01 0.02 0.09 -0.04 3.95 4.02 2eo6A12 SER 118 HB3 0.01 0.04 0.16 -0.04 3.93 4.11 2eo6A12 GLN 119 H 0.00 -0.03 -0.69 -0.55 8.47 7.21 2eo6A12 GLN 119 HA -0.01 -0.03 0.38 -0.75 4.36 3.95 2eo6A12 GLN 119 HB2 -0.04 -0.00 0.09 -0.04 2.15 2.16 2eo6A12 GLN 119 HB3 -0.03 0.06 0.03 -0.04 2.02 2.04 2eo6A12 GLN 119 HG2 -0.02 -0.07 0.02 -0.04 2.40 2.29 2eo6A12 GLN 119 HG3 -0.05 0.02 0.03 -0.04 2.39 2.36 2eo6A12 GLN 119 HE21 -0.01 -0.04 -0.01 -0.04 6.97 6.87 2eo6A12 GLN 119 HE22 -0.01 0.02 0.01 -0.04 7.69 7.66 2eo6A12 ASN 120 H -0.00 0.12 0.35 -0.55 8.53 8.46 2eo6A12 ASN 120 HA 0.00 -0.01 0.35 -0.75 4.76 4.35 2eo6A12 ASN 120 HB2 0.00 0.23 -0.11 -0.04 2.88 2.96 2eo6A12 ASN 120 HB3 0.00 0.00 0.19 -0.04 2.79 2.94 2eo6A12 ASN 120 HD21 0.00 0.04 -0.02 -0.04 7.03 7.01 2eo6A12 ASN 120 HD22 -0.00 -0.02 -0.02 -0.04 7.74 7.66 2eo6A12 ASN 121 H 0.00 0.57 -0.27 -0.55 8.53 8.29 2eo6A12 ASN 121 HA 0.00 -0.03 0.01 -0.75 4.76 3.99 2eo6A12 ASN 121 HB2 -0.00 -0.04 0.10 -0.04 2.88 2.89 2eo6A12 ASN 121 HB3 -0.00 -0.04 -0.01 -0.04 2.79 2.71 2eo6A12 ASN 121 HD21 -0.01 -0.07 0.19 -0.04 7.03 7.10 2eo6A12 ASN 121 HD22 -0.00 -0.04 -0.03 -0.04 7.74 7.62 2eo6A12 THR 122 H 0.02 0.42 -0.50 -0.55 8.28 7.67 2eo6A12 THR 122 HA -0.02 0.09 0.60 -0.75 4.39 4.31 2eo6A12 THR 122 HB 0.02 -0.07 0.01 -0.04 4.32 4.25 2eo6A12 THR 122 HG23 0.01 0.02 0.01 -0.04 1.22 1.22 2eo6A12 LYS 123 H -0.05 0.30 0.17 -0.55 8.42 8.29 2eo6A12 LYS 123 HA -0.11 0.20 0.68 -0.75 4.32 4.34 2eo6A12 LYS 123 HB2 -0.04 -0.02 -0.10 -0.04 1.87 1.67 2eo6A12 LYS 123 HB3 -0.05 0.04 0.14 -0.04 1.79 1.88 2eo6A12 LYS 123 HG2 -0.08 -0.02 -0.43 -0.04 1.46 0.89 2eo6A12 LYS 123 HG3 -0.06 -0.05 -0.20 -0.04 1.46 1.10 2eo6A12 LYS 123 HD2 -0.03 0.01 -0.05 -0.04 1.69 1.57 2eo6A12 LYS 123 HD3 -0.04 0.01 -0.04 -0.04 1.68 1.58 2eo6A12 LYS 123 HE2 -0.03 0.01 -0.05 -0.04 2.99 2.88 2eo6A12 LYS 123 HE3 -0.04 -0.04 -0.12 -0.04 2.99 2.75 2eo6A12 ASP 124 H -0.30 0.50 0.12 -0.55 8.40 8.17 2eo6A12 ASP 124 HA -0.19 0.15 0.82 -0.75 4.63 4.66 2eo6A12 ASP 124 HB2 -1.45 -0.01 -0.00 -0.04 2.71 1.20 2eo6A12 ASP 124 HB3 -0.78 0.03 -0.01 -0.04 2.70 1.89 2eo6A12 SER 125 H -0.04 0.23 0.09 -0.55 8.46 8.20 2eo6A12 SER 125 HA -0.07 0.26 0.63 -0.75 4.49 4.55 2eo6A12 SER 125 HB2 -0.06 -0.02 -0.28 -0.04 3.95 3.55 2eo6A12 SER 125 HB3 -0.06 -0.06 -0.10 -0.04 3.93 3.67 2eo6A12 THR 126 H 0.00 0.23 0.03 -0.55 8.28 7.99 2eo6A12 THR 126 HA 0.03 0.16 0.62 -0.75 4.39 4.44 2eo6A12 THR 126 HB 0.13 0.04 -0.22 -0.04 4.32 4.22 2eo6A12 THR 126 HG23 0.18 0.00 -0.21 -0.04 1.22 1.16 2eo6A12 ARG 127 H -0.02 0.17 0.05 -0.55 8.46 8.10 2eo6A12 ARG 127 HA -0.07 0.23 0.72 -0.75 4.34 4.47 2eo6A12 ARG 127 HB2 -0.06 -0.13 0.06 -0.04 1.90 1.73 2eo6A12 ARG 127 HB3 -0.06 0.43 -0.35 -0.04 1.80 1.78 2eo6A12 ARG 127 HG2 -0.03 0.04 -0.87 -0.04 1.67 0.76 2eo6A12 ARG 127 HG3 -0.04 -0.35 -0.30 -0.04 1.67 0.94 2eo6A12 ARG 127 HD2 -0.04 0.04 0.06 -0.04 3.22 3.24 2eo6A12 ARG 127 HD3 -0.02 -0.01 0.09 -0.04 3.22 3.24 2eo6A12 LEU 128 H -0.10 0.15 -0.10 -0.55 8.37 7.78 2eo6A12 LEU 128 HA 0.05 0.15 0.34 -0.75 4.35 4.14 2eo6A12 LEU 128 HB2 -0.40 -0.00 0.00 -0.04 1.64 1.20 2eo6A12 LEU 128 HB3 -0.74 -0.00 -0.06 -0.04 1.64 0.80 2eo6A12 LEU 128 HG -0.21 0.04 -0.00 -0.04 1.64 1.43 2eo6A12 LEU 128 HD13 -1.07 -0.00 0.00 -0.04 0.93 -0.18 2eo6A12 LEU 128 HD23 -0.09 0.02 -0.03 -0.04 0.89 0.75 2eo6A12 LYS 129 H 0.11 0.11 0.24 -0.55 8.42 8.32 2eo6A12 LYS 129 HA -0.14 0.22 0.94 -0.75 4.32 4.58 2eo6A12 LYS 129 HB2 -0.29 -0.05 0.14 -0.04 1.87 1.64 2eo6A12 LYS 129 HB3 -0.68 -0.08 0.01 -0.04 1.79 1.00 2eo6A12 LYS 129 HG2 -0.19 -0.08 0.04 -0.04 1.46 1.19 2eo6A12 LYS 129 HG3 -0.12 0.36 -0.15 -0.04 1.46 1.51 2eo6A12 LYS 129 HD2 -0.06 -0.06 0.05 -0.04 1.69 1.58 2eo6A12 LYS 129 HD3 -0.01 0.01 0.09 -0.04 1.68 1.73 2eo6A12 LYS 129 HE2 -0.02 0.01 0.02 -0.04 2.99 2.96 2eo6A12 LYS 129 HE3 -0.15 -0.04 0.02 -0.04 2.99 2.79 2eo6A12 TYR 130 H 0.26 0.08 -0.04 -0.55 8.29 8.05 2eo6A12 TYR 130 HA 0.07 0.21 0.90 -0.75 4.56 4.98 2eo6A12 TYR 130 HB2 0.05 -0.09 0.03 -0.04 3.06 3.01 2eo6A12 TYR 130 HB3 0.01 0.02 0.03 -0.04 2.98 3.00 2eo6A12 TYR 130 HD2 0.05 -0.06 -0.12 -0.04 7.15 6.97 2eo6A12 TYR 130 HE2 0.01 0.11 -0.07 -0.04 6.85 6.86 2eo6A12 ALA 131 H 0.09 0.20 0.07 -0.55 8.40 8.22 2eo6A12 ALA 131 HA -0.62 0.23 1.03 -0.75 4.34 4.22 2eo6A12 ALA 131 HB3 -0.08 -0.01 -0.12 -0.04 1.41 1.16 2eo6A12 VAL 132 H -0.15 0.16 0.16 -0.55 8.24 7.85 2eo6A12 VAL 132 HA -0.06 0.12 0.88 -0.75 4.13 4.32 2eo6A12 VAL 132 HB -0.08 -0.05 0.07 -0.04 2.12 2.02 2eo6A12 VAL 132 HG13 -0.08 0.02 -0.17 -0.04 0.97 0.70 2eo6A12 VAL 132 HG23 -0.08 -0.02 -0.04 -0.04 0.95 0.78 2eo6A12 LYS 133 H -0.06 0.17 0.20 -0.55 8.42 8.17 2eo6A12 LYS 133 HA -0.07 0.07 0.71 -0.75 4.32 4.29 2eo6A12 LYS 133 HB2 -0.11 -0.07 -0.67 -0.04 1.87 0.98 2eo6A12 LYS 133 HB3 -0.08 -0.05 0.04 -0.04 1.79 1.65 2eo6A12 LYS 133 HG2 -0.10 0.13 -0.45 -0.04 1.46 1.00 2eo6A12 LYS 133 HG3 -0.15 0.05 -0.36 -0.04 1.46 0.95 2eo6A12 LYS 133 HD2 -0.12 -0.08 -0.08 -0.04 1.69 1.38 2eo6A12 LYS 133 HD3 -0.14 0.22 -0.10 -0.04 1.68 1.62 2eo6A12 LYS 133 HE2 -0.08 -0.02 -0.04 -0.04 2.99 2.81 2eo6A12 LYS 133 HE3 -0.07 -0.04 -0.13 -0.04 2.99 2.71 2eo6A12 VAL 134 H -0.07 0.09 0.07 -0.55 8.24 7.78 2eo6A12 VAL 134 HA -0.05 0.12 0.54 -0.75 4.13 3.99 2eo6A12 VAL 134 HB -0.04 0.06 -0.07 -0.04 2.12 2.03 2eo6A12 VAL 134 HG13 -0.06 -0.02 -0.16 -0.04 0.97 0.68 2eo6A12 VAL 134 HG23 -0.03 -0.02 -0.15 -0.04 0.95 0.71 2eo6A12 SER 135 H -0.05 0.13 0.02 -0.55 8.46 8.02 2eo6A12 SER 135 HA -0.06 0.07 0.51 -0.75 4.49 4.26 2eo6A12 SER 135 HB2 -0.06 0.20 -0.32 -0.04 3.95 3.72 2eo6A12 SER 135 HB3 -0.04 -0.03 0.04 -0.04 3.93 3.85 2eo6A12 SER 136 H -0.04 0.25 0.07 -0.55 8.46 8.20 2eo6A12 SER 136 HA -0.03 0.11 0.75 -0.75 4.49 4.58 2eo6A12 SER 136 HB2 -0.03 -0.06 -0.22 -0.04 3.95 3.60 2eo6A12 SER 136 HB3 -0.02 -0.03 0.03 -0.04 3.93 3.87 2eo6A12 GLY 137 H -0.02 0.10 0.09 -0.55 8.43 8.06 2eo6A12 GLY 137 HA2 -0.02 0.11 0.50 -0.51 4.01 4.09 2eo6A12 GLY 137 HA3 -0.02 0.04 0.32 -0.51 4.01 3.85 2eo6A12 PRO 138 HA -0.01 0.04 0.44 -0.51 4.44 4.41 2eo6A12 PRO 138 HB2 -0.01 0.00 -0.03 -0.04 2.28 2.20 2eo6A12 PRO 138 HB3 -0.01 0.05 0.09 -0.04 2.02 2.11 2eo6A12 PRO 138 HG2 -0.01 0.02 0.14 -0.04 2.03 2.13 2eo6A12 PRO 138 HG3 -0.01 0.05 0.09 -0.04 2.03 2.12 2eo6A12 PRO 138 HD2 -0.01 0.07 0.22 -0.04 3.68 3.92 2eo6A12 PRO 138 HD3 -0.02 0.15 0.20 -0.04 3.65 3.94 2eo6A12 SER 139 H -0.01 0.17 0.11 -0.55 8.46 8.19 2eo6A12 SER 139 HA -0.01 0.18 0.92 -0.75 4.49 4.83 2eo6A12 SER 139 HB2 -0.01 0.07 -0.09 -0.04 3.95 3.88 2eo6A12 SER 139 HB3 -0.01 -0.03 0.15 -0.04 3.93 4.00 2eo6A12 SER 140 H -0.01 0.23 0.04 -0.55 8.46 8.18 2eo6A12 SER 140 HA -0.00 0.15 0.89 -0.75 4.49 4.77 2eo6A12 SER 140 HB2 -0.00 0.01 -0.03 -0.04 3.95 3.89 2eo6A12 SER 140 HB3 -0.00 0.01 0.09 -0.04 3.93 3.99 2eo6A12 GLY 141 H -0.00 0.20 0.06 -0.55 8.43 8.15 2eo6A12 GLY 141 HA2 -0.00 0.04 0.17 -0.51 4.01 3.71 2eo6A12 GLY 141 HA3 -0.00 0.25 0.67 -0.51 4.01 4.41