============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 11 1.000 5.705 8.559 1.474 -99.200 -91.000 HIS 18 0.900 -3.259 3.945 -8.244 -99.200 -91.000 TRP 44 1.040 3.510 -0.780 3.744 -99.200 -91.000 TRP6 44 1.020 3.467 -0.400 1.416 -99.200 -91.000 TYR 45 0.840 -2.623 3.015 7.918 -99.200 -91.000 TYR 81 0.840 -2.089 -4.456 0.209 -99.200 -91.000 PHE 92 1.000 2.928 1.798 -3.973 -99.200 -91.000 PHE 101 1.000 -0.240 -24.339 -5.874 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eo1A9 GLY 1 HA2 -0.00 -0.04 0.17 -0.51 4.01 3.62 2eo1A9 GLY 1 HA3 -0.00 -0.04 0.21 -0.51 4.01 3.67 2eo1A9 SER 2 H -0.00 0.25 0.15 -0.55 8.46 8.31 2eo1A9 SER 2 HA -0.00 0.08 0.56 -0.75 4.49 4.38 2eo1A9 SER 2 HB2 -0.00 -0.06 -0.03 -0.04 3.95 3.82 2eo1A9 SER 2 HB3 -0.00 0.12 -0.24 -0.04 3.93 3.77 2eo1A9 SER 3 H -0.00 0.19 0.03 -0.55 8.46 8.13 2eo1A9 SER 3 HA -0.00 0.17 0.98 -0.75 4.49 4.89 2eo1A9 SER 3 HB2 -0.00 0.01 0.03 -0.04 3.95 3.95 2eo1A9 SER 3 HB3 -0.00 0.02 -0.06 -0.04 3.93 3.85 2eo1A9 GLY 4 H -0.00 0.19 0.08 -0.55 8.43 8.15 2eo1A9 GLY 4 HA2 -0.00 0.02 0.30 -0.51 4.01 3.82 2eo1A9 GLY 4 HA3 -0.00 0.16 0.81 -0.51 4.01 4.47 2eo1A9 SER 5 H -0.00 0.19 0.14 -0.55 8.46 8.24 2eo1A9 SER 5 HA -0.00 0.18 0.94 -0.75 4.49 4.86 2eo1A9 SER 5 HB2 -0.00 -0.02 0.10 -0.04 3.95 3.99 2eo1A9 SER 5 HB3 -0.00 0.06 -0.01 -0.04 3.93 3.95 2eo1A9 SER 6 H 0.00 0.20 0.09 -0.55 8.46 8.20 2eo1A9 SER 6 HA 0.00 0.15 0.90 -0.75 4.49 4.79 2eo1A9 SER 6 HB2 0.00 0.01 0.02 -0.04 3.95 3.94 2eo1A9 SER 6 HB3 0.00 0.06 0.03 -0.04 3.93 3.98 2eo1A9 GLY 7 H 0.00 0.11 0.15 -0.55 8.43 8.14 2eo1A9 GLY 7 HA2 0.01 0.13 0.58 -0.51 4.01 4.22 2eo1A9 GLY 7 HA3 0.01 0.02 0.29 -0.51 4.01 3.82 2eo1A9 LYS 8 H 0.02 0.21 0.13 -0.55 8.42 8.22 2eo1A9 LYS 8 HA 0.01 0.18 0.92 -0.75 4.32 4.67 2eo1A9 LYS 8 HB2 0.02 0.01 0.06 -0.04 1.87 1.92 2eo1A9 LYS 8 HB3 0.01 -0.03 -0.11 -0.04 1.79 1.61 2eo1A9 LYS 8 HG2 0.00 0.09 -0.32 -0.04 1.46 1.19 2eo1A9 LYS 8 HG3 0.00 0.01 -0.09 -0.04 1.46 1.33 2eo1A9 LYS 8 HD2 -0.00 -0.02 0.04 -0.04 1.69 1.66 2eo1A9 LYS 8 HD3 -0.00 0.02 -0.04 -0.04 1.68 1.62 2eo1A9 LYS 8 HE2 -0.00 0.01 -0.06 -0.04 2.99 2.89 2eo1A9 LYS 8 HE3 -0.01 -0.05 -0.11 -0.04 2.99 2.79 2eo1A9 VAL 9 H 0.01 0.21 0.07 -0.55 8.24 7.97 2eo1A9 VAL 9 HA 0.05 0.08 0.71 -0.75 4.13 4.21 2eo1A9 VAL 9 HB 0.01 0.01 0.14 -0.04 2.12 2.24 2eo1A9 VAL 9 HG13 0.03 0.01 -0.11 -0.04 0.97 0.85 2eo1A9 VAL 9 HG23 0.02 0.01 -0.05 -0.04 0.95 0.89 2eo1A9 VAL 10 H 0.08 0.12 0.22 -0.55 8.24 8.12 2eo1A9 VAL 10 HA -0.12 0.19 0.89 -0.75 4.13 4.33 2eo1A9 VAL 10 HB -0.11 0.03 0.07 -0.04 2.12 2.06 2eo1A9 VAL 10 HG13 -0.48 -0.01 -0.13 -0.04 0.97 0.31 2eo1A9 VAL 10 HG23 -0.02 0.04 -0.12 -0.04 0.95 0.81 2eo1A9 PHE 11 H 0.22 0.00 0.15 -0.55 8.34 8.16 2eo1A9 PHE 11 HA -0.00 -0.01 0.93 -0.75 4.62 4.79 2eo1A9 PHE 11 HB2 0.00 0.04 -0.02 -0.04 3.15 3.13 2eo1A9 PHE 11 HB3 0.01 0.04 0.07 -0.04 3.06 3.14 2eo1A9 PHE 11 HD2 -0.01 0.10 -0.01 -0.04 7.28 7.33 2eo1A9 PHE 11 HE2 -0.07 0.06 -0.20 -0.04 7.38 7.12 2eo1A9 PHE 11 HZ -0.11 0.08 -0.40 -0.04 7.32 6.85 2eo1A9 ALA 12 H 0.19 0.19 -0.12 -0.55 8.40 8.12 2eo1A9 ALA 12 HA 0.06 0.08 0.32 -0.75 4.34 4.04 2eo1A9 ALA 12 HB3 0.07 0.02 -0.11 -0.04 1.41 1.35 2eo1A9 LYS 13 H 0.04 0.15 0.14 -0.55 8.42 8.19 2eo1A9 LYS 13 HA 0.04 0.13 0.41 -0.75 4.32 4.15 2eo1A9 LYS 13 HB2 0.02 0.04 0.07 -0.04 1.87 1.96 2eo1A9 LYS 13 HB3 0.02 0.03 0.12 -0.04 1.79 1.93 2eo1A9 LYS 13 HG2 0.02 -0.05 -0.03 -0.04 1.46 1.37 2eo1A9 LYS 13 HG3 0.02 0.04 -0.02 -0.04 1.46 1.46 2eo1A9 LYS 13 HD2 0.02 0.05 0.07 -0.04 1.69 1.79 2eo1A9 LYS 13 HD3 0.03 -0.11 0.10 -0.04 1.68 1.66 2eo1A9 LYS 13 HE2 0.01 0.02 0.01 -0.04 2.99 3.00 2eo1A9 LYS 13 HE3 0.02 0.00 0.00 -0.04 2.99 2.97 2eo1A9 GLU 14 H 0.03 -0.00 -0.32 -0.55 8.60 7.77 2eo1A9 GLU 14 HA 0.01 0.20 0.58 -0.75 4.29 4.33 2eo1A9 GLU 14 HB2 0.03 -0.03 0.05 -0.04 2.09 2.09 2eo1A9 GLU 14 HB3 0.02 0.03 0.14 -0.04 1.99 2.14 2eo1A9 GLU 14 HG2 0.01 0.05 -0.10 -0.04 2.34 2.27 2eo1A9 GLU 14 HG3 0.02 -0.07 -0.02 -0.04 2.34 2.23 2eo1A9 GLN 15 H 0.03 0.32 -0.89 -0.55 8.47 7.38 2eo1A9 GLN 15 HA 0.03 0.10 0.61 -0.75 4.36 4.34 2eo1A9 GLN 15 HB2 0.02 0.08 -0.01 -0.04 2.15 2.20 2eo1A9 GLN 15 HB3 -0.02 0.02 -0.12 -0.04 2.02 1.86 2eo1A9 GLN 15 HG2 0.09 -0.21 -0.18 -0.04 2.40 2.06 2eo1A9 GLN 15 HG3 0.17 -0.09 -0.07 -0.04 2.39 2.36 2eo1A9 GLN 15 HE21 0.15 -0.07 0.05 -0.04 6.97 7.07 2eo1A9 GLN 15 HE22 0.02 0.10 -0.02 -0.04 7.69 7.75 2eo1A9 PRO 16 HA -0.05 0.05 0.42 -0.51 4.44 4.35 2eo1A9 PRO 16 HB2 -0.13 -0.01 -0.10 -0.04 2.28 2.00 2eo1A9 PRO 16 HB3 -0.06 0.05 0.08 -0.04 2.02 2.05 2eo1A9 PRO 16 HG2 -0.12 0.01 0.13 -0.04 2.03 2.01 2eo1A9 PRO 16 HG3 -0.02 0.05 0.11 -0.04 2.03 2.12 2eo1A9 PRO 16 HD2 0.02 0.04 0.20 -0.04 3.68 3.90 2eo1A9 PRO 16 HD3 0.01 0.23 0.24 -0.04 3.65 4.10 2eo1A9 ALA 17 H -0.05 0.20 0.24 -0.55 8.40 8.25 2eo1A9 ALA 17 HA -0.06 0.06 0.35 -0.75 4.34 3.94 2eo1A9 ALA 17 HB3 -0.02 0.01 0.12 -0.04 1.41 1.48 2eo1A9 HIS 18 H -0.07 0.01 -0.61 -0.55 8.41 7.20 2eo1A9 HIS 18 HA -0.24 0.08 0.77 -0.75 4.63 4.48 2eo1A9 HIS 18 HB2 -0.09 0.07 0.04 -0.04 3.26 3.25 2eo1A9 HIS 18 HB3 -0.08 -0.08 -0.08 -0.04 3.20 2.92 2eo1A9 HIS 18 HD2 -0.03 -0.02 -0.07 -0.04 6.97 6.80 2eo1A9 HIS 18 HE1 -0.01 -0.09 -0.07 -0.04 7.75 7.54 2eo1A9 ARG 19 H -0.36 0.64 0.35 -0.55 8.46 8.53 2eo1A9 ARG 19 HA -0.29 0.14 0.92 -0.75 4.34 4.36 2eo1A9 ARG 19 HB2 -0.34 0.02 0.13 -0.04 1.90 1.67 2eo1A9 ARG 19 HB3 -0.46 0.01 0.12 -0.04 1.80 1.43 2eo1A9 ARG 19 HG2 0.01 0.04 0.08 -0.04 1.67 1.75 2eo1A9 ARG 19 HG3 -0.07 -0.01 0.16 -0.04 1.67 1.71 2eo1A9 ARG 19 HD2 0.08 -0.00 0.08 -0.04 3.22 3.34 2eo1A9 ARG 19 HD3 0.32 0.02 0.04 -0.04 3.22 3.56 2eo1A9 GLU 20 H -0.10 0.19 0.22 -0.55 8.60 8.37 2eo1A9 GLU 20 HA 0.09 0.08 1.10 -0.75 4.29 4.80 2eo1A9 GLU 20 HB2 -0.05 -0.01 0.14 -0.04 2.09 2.13 2eo1A9 GLU 20 HB3 0.02 0.03 0.01 -0.04 1.99 2.01 2eo1A9 GLU 20 HG2 -0.02 0.05 -0.17 -0.04 2.34 2.15 2eo1A9 GLU 20 HG3 -0.28 0.02 -0.14 -0.04 2.34 1.89 2eo1A9 VAL 21 H 0.12 0.68 0.38 -0.55 8.24 8.87 2eo1A9 VAL 21 HA 0.06 0.13 1.05 -0.75 4.13 4.62 2eo1A9 VAL 21 HB 0.09 0.09 0.06 -0.04 2.12 2.32 2eo1A9 VAL 21 HG13 0.01 -0.02 -0.03 -0.04 0.97 0.90 2eo1A9 VAL 21 HG23 0.22 0.00 -0.19 -0.04 0.95 0.93 2eo1A9 GLN 22 H 0.03 0.19 0.23 -0.55 8.47 8.38 2eo1A9 GLN 22 HA 0.03 0.13 1.08 -0.75 4.36 4.84 2eo1A9 GLN 22 HB2 0.02 -0.01 -0.05 -0.04 2.15 2.07 2eo1A9 GLN 22 HB3 0.02 -0.01 0.03 -0.04 2.02 2.02 2eo1A9 GLN 22 HG2 0.02 0.05 -0.03 -0.04 2.40 2.39 2eo1A9 GLN 22 HG3 0.02 -0.01 0.03 -0.04 2.39 2.40 2eo1A9 GLN 22 HE21 0.01 0.01 -0.08 -0.04 6.97 6.87 2eo1A9 GLN 22 HE22 0.01 -0.01 -0.05 -0.04 7.69 7.60 2eo1A9 ALA 23 H 0.01 0.62 0.33 -0.55 8.40 8.82 2eo1A9 ALA 23 HA -0.00 0.09 0.64 -0.75 4.34 4.31 2eo1A9 ALA 23 HB3 -0.01 0.01 -0.10 -0.04 1.41 1.27 2eo1A9 GLU 24 H 0.00 0.12 0.15 -0.55 8.60 8.32 2eo1A9 GLU 24 HA 0.02 0.05 1.01 -0.75 4.29 4.61 2eo1A9 GLU 24 HB2 0.01 -0.03 0.07 -0.04 2.09 2.10 2eo1A9 GLU 24 HB3 0.03 0.10 0.01 -0.04 1.99 2.09 2eo1A9 GLU 24 HG2 0.01 0.00 -0.15 -0.04 2.34 2.17 2eo1A9 GLU 24 HG3 0.01 0.03 -0.02 -0.04 2.34 2.31 2eo1A9 ALA 25 H 0.03 0.39 0.17 -0.55 8.40 8.45 2eo1A9 ALA 25 HA 0.03 0.36 0.40 -0.75 4.34 4.38 2eo1A9 ALA 25 HB3 0.03 0.02 -0.39 -0.04 1.41 1.03 2eo1A9 GLY 26 H 0.04 0.46 -0.01 -0.55 8.43 8.38 2eo1A9 GLY 26 HA2 0.09 0.01 0.35 -0.51 4.01 3.94 2eo1A9 GLY 26 HA3 0.15 0.09 0.74 -0.51 4.01 4.48 2eo1A9 ALA 27 H 0.03 0.38 -0.41 -0.55 8.40 7.85 2eo1A9 ALA 27 HA -0.01 0.13 0.49 -0.75 4.34 4.19 2eo1A9 ALA 27 HB3 -0.01 0.04 0.07 -0.04 1.41 1.48 2eo1A9 SER 28 H -0.03 0.16 0.11 -0.55 8.46 8.15 2eo1A9 SER 28 HA -0.05 0.42 1.00 -0.75 4.49 5.11 2eo1A9 SER 28 HB2 -0.05 0.05 -0.07 -0.04 3.95 3.83 2eo1A9 SER 28 HB3 -0.04 -0.03 -0.02 -0.04 3.93 3.80 2eo1A9 ALA 29 H -0.07 0.42 0.13 -0.55 8.40 8.33 2eo1A9 ALA 29 HA -0.07 0.09 0.42 -0.75 4.34 4.03 2eo1A9 ALA 29 HB3 -0.13 0.03 -0.01 -0.04 1.41 1.26 2eo1A9 THR 30 H -0.10 0.18 0.06 -0.55 8.28 7.87 2eo1A9 THR 30 HA -0.19 0.27 0.48 -0.75 4.39 4.19 2eo1A9 THR 30 HB -0.06 -0.01 0.05 -0.04 4.32 4.26 2eo1A9 THR 30 HG23 -0.07 -0.03 -0.23 -0.04 1.22 0.85 2eo1A9 LEU 31 H -0.33 0.39 0.10 -0.55 8.37 7.99 2eo1A9 LEU 31 HA -0.12 0.19 0.89 -0.75 4.35 4.56 2eo1A9 LEU 31 HB2 -0.65 -0.04 0.17 -0.04 1.64 1.07 2eo1A9 LEU 31 HB3 -0.54 0.07 -0.01 -0.04 1.64 1.13 2eo1A9 LEU 31 HG -0.46 0.02 -0.06 -0.04 1.64 1.11 2eo1A9 LEU 31 HD13 -0.54 0.01 -0.08 -0.04 0.93 0.28 2eo1A9 LEU 31 HD23 -0.03 0.01 -0.20 -0.04 0.89 0.63 2eo1A9 SER 32 H -0.02 0.23 0.10 -0.55 8.46 8.22 2eo1A9 SER 32 HA 0.06 0.30 0.77 -0.75 4.49 4.85 2eo1A9 SER 32 HB2 0.02 -0.04 -0.09 -0.04 3.95 3.80 2eo1A9 SER 32 HB3 0.05 0.01 0.05 -0.04 3.93 4.00 2eo1A9 CYS 33 H 0.10 0.33 0.18 -0.55 8.50 8.56 2eo1A9 CYS 33 HA 0.21 0.04 0.68 -0.75 4.58 4.75 2eo1A9 CYS 33 HB2 0.22 0.05 -0.00 -0.04 2.97 3.19 2eo1A9 CYS 33 HB3 0.25 0.06 -0.13 -0.04 2.97 3.11 2eo1A9 GLU 34 H 0.15 0.10 0.13 -0.55 8.60 8.42 2eo1A9 GLU 34 HA 0.08 0.25 0.55 -0.75 4.29 4.42 2eo1A9 GLU 34 HB2 0.11 -0.07 0.07 -0.04 2.09 2.16 2eo1A9 GLU 34 HB3 0.07 0.03 0.08 -0.04 1.99 2.13 2eo1A9 GLU 34 HG2 0.06 0.14 0.07 -0.04 2.34 2.57 2eo1A9 GLU 34 HG3 0.08 -0.06 0.04 -0.04 2.34 2.35 2eo1A9 VAL 35 H 0.04 0.39 0.16 -0.55 8.24 8.28 2eo1A9 VAL 35 HA -0.04 0.07 0.86 -0.75 4.13 4.27 2eo1A9 VAL 35 HB -0.18 0.07 -0.01 -0.04 2.12 1.96 2eo1A9 VAL 35 HG13 -0.11 0.05 -0.21 -0.04 0.97 0.65 2eo1A9 VAL 35 HG23 -0.02 0.01 -0.25 -0.04 0.95 0.65 2eo1A9 ALA 36 H -0.13 0.59 0.27 -0.55 8.40 8.59 2eo1A9 ALA 36 HA -0.01 0.01 0.30 -0.75 4.34 3.88 2eo1A9 ALA 36 HB3 -0.04 0.01 -0.33 -0.04 1.41 1.02 2eo1A9 GLN 37 H -0.12 0.24 -0.18 -0.55 8.47 7.87 2eo1A9 GLN 37 HA -0.04 0.13 0.78 -0.75 4.36 4.48 2eo1A9 GLN 37 HB2 -0.08 0.03 0.01 -0.04 2.15 2.07 2eo1A9 GLN 37 HB3 -0.05 -0.12 -0.01 -0.04 2.02 1.81 2eo1A9 GLN 37 HG2 -0.05 0.01 -0.63 -0.04 2.40 1.69 2eo1A9 GLN 37 HG3 -0.04 0.02 -0.09 -0.04 2.39 2.24 2eo1A9 GLN 37 HE21 -0.02 -0.07 0.09 -0.04 6.97 6.94 2eo1A9 GLN 37 HE22 -0.02 0.55 0.37 -0.04 7.69 8.55 2eo1A9 ALA 38 H -0.03 0.15 0.13 -0.55 8.40 8.10 2eo1A9 ALA 38 HA -0.03 0.17 0.54 -0.75 4.34 4.26 2eo1A9 ALA 38 HB3 -0.01 0.01 0.10 -0.04 1.41 1.46 2eo1A9 GLN 39 H -0.03 0.01 0.04 -0.55 8.47 7.95 2eo1A9 GLN 39 HA -0.02 0.07 0.30 -0.75 4.36 3.96 2eo1A9 GLN 39 HB2 -0.02 0.04 0.04 -0.04 2.15 2.17 2eo1A9 GLN 39 HB3 -0.02 -0.03 0.10 -0.04 2.02 2.04 2eo1A9 GLN 39 HG2 -0.03 -0.17 -0.04 -0.04 2.40 2.12 2eo1A9 GLN 39 HG3 -0.03 0.06 -0.24 -0.04 2.39 2.14 2eo1A9 GLN 39 HE21 -0.03 0.00 -0.04 -0.04 6.97 6.86 2eo1A9 GLN 39 HE22 -0.02 0.02 -0.01 -0.04 7.69 7.64 2eo1A9 THR 40 H -0.05 -0.12 -0.88 -0.55 8.28 6.68 2eo1A9 THR 40 HA -0.05 -0.02 0.36 -0.75 4.39 3.93 2eo1A9 THR 40 HB -0.12 0.22 -0.03 -0.04 4.32 4.34 2eo1A9 THR 40 HG23 -0.15 -0.03 -0.17 -0.04 1.22 0.82 2eo1A9 GLU 41 H -0.04 0.04 0.18 -0.55 8.60 8.23 2eo1A9 GLU 41 HA -0.03 0.23 0.88 -0.75 4.29 4.61 2eo1A9 GLU 41 HB2 -0.01 -0.07 0.12 -0.04 2.09 2.08 2eo1A9 GLU 41 HB3 -0.01 0.04 -0.00 -0.04 1.99 1.98 2eo1A9 GLU 41 HG2 -0.00 0.04 0.02 -0.04 2.34 2.35 2eo1A9 GLU 41 HG3 -0.01 0.10 -0.07 -0.04 2.34 2.32 2eo1A9 VAL 42 H -0.03 0.20 0.18 -0.55 8.24 8.05 2eo1A9 VAL 42 HA -0.04 0.20 1.08 -0.75 4.13 4.61 2eo1A9 VAL 42 HB -0.13 0.19 -0.01 -0.04 2.12 2.12 2eo1A9 VAL 42 HG13 -0.13 -0.04 -0.34 -0.04 0.97 0.42 2eo1A9 VAL 42 HG23 -0.13 -0.03 -0.15 -0.04 0.95 0.59 2eo1A9 THR 43 H -0.04 0.69 0.17 -0.55 8.28 8.55 2eo1A9 THR 43 HA -0.04 0.13 0.97 -0.75 4.39 4.69 2eo1A9 THR 43 HB 0.10 -0.06 0.06 -0.04 4.32 4.38 2eo1A9 THR 43 HG23 -0.40 0.05 -0.03 -0.04 1.22 0.80 2eo1A9 TRP 44 H 0.16 0.14 0.15 -0.55 7.97 7.86 2eo1A9 TRP 44 HA 0.04 0.26 0.68 -0.75 4.62 4.84 2eo1A9 TRP 44 HB2 -0.04 -0.02 0.04 -0.04 3.23 3.17 2eo1A9 TRP 44 HB3 0.08 -0.05 -0.03 -0.04 3.23 3.20 2eo1A9 TRP 44 HD1 -0.03 0.02 -0.03 -0.04 7.22 7.14 2eo1A9 TRP 44 HE1 -0.03 0.07 -0.18 -0.04 10.20 10.02 2eo1A9 TRP 44 HE3 0.15 -0.08 -0.33 -0.04 7.59 7.29 2eo1A9 TRP 44 HZ2 -0.13 0.12 -0.26 -0.04 7.44 7.12 2eo1A9 TRP 44 HZ3 -0.23 0.02 -0.22 -0.04 7.13 6.65 2eo1A9 TRP 44 HH2 -0.63 0.10 -0.16 -0.04 7.19 6.46 2eo1A9 TYR 45 H 0.39 0.26 0.29 -0.55 8.29 8.67 2eo1A9 TYR 45 HA 0.10 0.21 0.75 -0.75 4.56 4.86 2eo1A9 TYR 45 HB2 0.06 0.03 0.11 -0.04 3.06 3.23 2eo1A9 TYR 45 HB3 0.04 -0.13 -0.11 -0.04 2.98 2.74 2eo1A9 TYR 45 HD2 0.03 -0.03 -0.32 -0.04 7.15 6.79 2eo1A9 TYR 45 HE2 0.03 -0.04 -0.05 -0.04 6.85 6.74 2eo1A9 LYS 46 H 0.04 0.56 0.17 -0.55 8.42 8.64 2eo1A9 LYS 46 HA -0.22 0.26 0.95 -0.75 4.32 4.55 2eo1A9 LYS 46 HB2 -0.43 -0.07 0.01 -0.04 1.87 1.34 2eo1A9 LYS 46 HB3 -0.19 0.05 0.07 -0.04 1.79 1.69 2eo1A9 LYS 46 HG2 -0.36 -0.00 -0.14 -0.04 1.46 0.92 2eo1A9 LYS 46 HG3 -1.53 -0.04 -0.16 -0.04 1.46 -0.31 2eo1A9 LYS 46 HD2 -0.38 -0.06 -0.07 -0.04 1.69 1.13 2eo1A9 LYS 46 HD3 -0.18 -0.03 -0.09 -0.04 1.68 1.35 2eo1A9 LYS 46 HE2 -0.15 -0.09 -0.27 -0.04 2.99 2.44 2eo1A9 LYS 46 HE3 0.04 0.01 -0.06 -0.04 2.99 2.94 2eo1A9 ASP 47 H -0.07 0.49 0.29 -0.55 8.40 8.57 2eo1A9 ASP 47 HA -0.02 0.02 0.36 -0.75 4.63 4.24 2eo1A9 ASP 47 HB2 -0.05 0.09 -0.32 -0.04 2.71 2.40 2eo1A9 ASP 47 HB3 -0.02 0.02 0.22 -0.04 2.70 2.89 2eo1A9 GLY 48 H 0.03 0.09 -0.35 -0.55 8.43 7.66 2eo1A9 GLY 48 HA2 -0.00 -0.02 0.16 -0.51 4.01 3.64 2eo1A9 GLY 48 HA3 -0.01 0.07 0.36 -0.51 4.01 3.93 2eo1A9 LYS 49 H 0.11 0.02 -0.46 -0.55 8.42 7.54 2eo1A9 LYS 49 HA 0.10 0.11 0.81 -0.75 4.32 4.58 2eo1A9 LYS 49 HB2 0.02 0.13 0.05 -0.04 1.87 2.04 2eo1A9 LYS 49 HB3 0.04 -0.03 -0.04 -0.04 1.79 1.72 2eo1A9 LYS 49 HG2 0.02 0.15 -0.74 -0.04 1.46 0.84 2eo1A9 LYS 49 HG3 0.01 -0.04 -0.09 -0.04 1.46 1.29 2eo1A9 LYS 49 HD2 0.02 -0.07 -0.01 -0.04 1.69 1.59 2eo1A9 LYS 49 HD3 0.03 -0.01 0.09 -0.04 1.68 1.75 2eo1A9 LYS 49 HE2 0.01 0.01 -0.01 -0.04 2.99 2.95 2eo1A9 LYS 49 HE3 0.01 -0.08 0.01 -0.04 2.99 2.89 2eo1A9 LYS 50 H 0.19 0.15 0.07 -0.55 8.42 8.28 2eo1A9 LYS 50 HA -0.06 0.09 0.45 -0.75 4.32 4.04 2eo1A9 LYS 50 HB2 0.26 -0.00 0.11 -0.04 1.87 2.19 2eo1A9 LYS 50 HB3 0.09 -0.02 0.11 -0.04 1.79 1.92 2eo1A9 LYS 50 HG2 -0.01 0.02 -0.26 -0.04 1.46 1.17 2eo1A9 LYS 50 HG3 -0.11 0.05 0.02 -0.04 1.46 1.37 2eo1A9 LYS 50 HD2 0.14 -0.01 -0.01 -0.04 1.69 1.77 2eo1A9 LYS 50 HD3 0.06 -0.03 -0.03 -0.04 1.68 1.65 2eo1A9 LYS 50 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2eo1A9 LYS 50 HE3 0.05 -0.02 -0.02 -0.04 2.99 2.96 2eo1A9 LEU 51 H -0.20 0.41 0.29 -0.55 8.37 8.32 2eo1A9 LEU 51 HA 0.01 0.11 0.65 -0.75 4.35 4.36 2eo1A9 LEU 51 HB2 0.07 0.03 -0.06 -0.04 1.64 1.64 2eo1A9 LEU 51 HB3 0.05 -0.04 -0.14 -0.04 1.64 1.47 2eo1A9 LEU 51 HG 0.02 -0.01 -0.01 -0.04 1.64 1.59 2eo1A9 LEU 51 HD13 0.19 -0.03 -0.20 -0.04 0.93 0.84 2eo1A9 LEU 51 HD23 0.02 0.02 -0.06 -0.04 0.89 0.84 2eo1A9 SER 52 H 0.01 0.18 0.09 -0.55 8.46 8.19 2eo1A9 SER 52 HA 0.01 0.17 0.94 -0.75 4.49 4.85 2eo1A9 SER 52 HB2 0.01 0.05 -0.10 -0.04 3.95 3.87 2eo1A9 SER 52 HB3 0.01 -0.03 0.10 -0.04 3.93 3.97 2eo1A9 SER 53 H 0.01 0.16 0.05 -0.55 8.46 8.13 2eo1A9 SER 53 HA -0.03 0.02 0.26 -0.75 4.49 3.99 2eo1A9 SER 53 HB2 -0.02 0.05 0.19 -0.04 3.95 4.14 2eo1A9 SER 53 HB3 -0.01 -0.09 0.18 -0.04 3.93 3.97 2eo1A9 SER 54 H -0.02 -0.04 0.43 -0.55 8.46 8.28 2eo1A9 SER 54 HA -0.01 0.19 0.91 -0.75 4.49 4.83 2eo1A9 SER 54 HB2 -0.00 -0.15 0.19 -0.04 3.95 3.94 2eo1A9 SER 54 HB3 -0.00 0.10 0.15 -0.04 3.93 4.14 2eo1A9 SER 55 H -0.01 0.16 0.16 -0.55 8.46 8.23 2eo1A9 SER 55 HA -0.01 0.09 0.28 -0.75 4.49 4.09 2eo1A9 SER 55 HB2 -0.01 -0.03 0.06 -0.04 3.95 3.94 2eo1A9 SER 55 HB3 -0.01 0.03 0.06 -0.04 3.93 3.98 2eo1A9 LYS 56 H -0.01 -0.13 -0.77 -0.55 8.42 6.95 2eo1A9 LYS 56 HA -0.02 0.13 0.68 -0.75 4.32 4.36 2eo1A9 LYS 56 HB2 -0.01 -0.09 0.06 -0.04 1.87 1.79 2eo1A9 LYS 56 HB3 -0.01 0.08 -0.06 -0.04 1.79 1.75 2eo1A9 LYS 56 HG2 -0.00 -0.06 -0.14 -0.04 1.46 1.22 2eo1A9 LYS 56 HG3 0.00 -0.02 -0.03 -0.04 1.46 1.37 2eo1A9 LYS 56 HD2 -0.01 0.07 -0.08 -0.04 1.69 1.63 2eo1A9 LYS 56 HD3 0.00 -0.05 -0.08 -0.04 1.68 1.52 2eo1A9 LYS 56 HE2 0.01 -0.07 -0.03 -0.04 2.99 2.86 2eo1A9 LYS 56 HE3 0.01 0.24 0.02 -0.04 2.99 3.22 2eo1A9 VAL 57 H -0.03 -0.08 0.05 -0.55 8.24 7.64 2eo1A9 VAL 57 HA -0.10 0.35 1.06 -0.75 4.13 4.70 2eo1A9 VAL 57 HB -0.04 -0.15 0.05 -0.04 2.12 1.94 2eo1A9 VAL 57 HG13 -0.17 0.01 -0.25 -0.04 0.97 0.52 2eo1A9 VAL 57 HG23 -0.01 0.01 -0.13 -0.04 0.95 0.78 2eo1A9 ARG 58 H -0.13 0.66 0.26 -0.55 8.46 8.70 2eo1A9 ARG 58 HA -0.05 0.14 0.92 -0.75 4.34 4.59 2eo1A9 ARG 58 HB2 -0.04 0.10 -0.16 -0.04 1.90 1.75 2eo1A9 ARG 58 HB3 -0.07 -0.02 0.08 -0.04 1.80 1.75 2eo1A9 ARG 58 HG2 -0.04 -0.07 -0.42 -0.04 1.67 1.10 2eo1A9 ARG 58 HG3 -0.03 0.03 -0.10 -0.04 1.67 1.53 2eo1A9 ARG 58 HD2 -0.03 0.04 -0.09 -0.04 3.22 3.10 2eo1A9 ARG 58 HD3 -0.03 -0.04 -0.09 -0.04 3.22 3.02 2eo1A9 VAL 59 H -0.03 0.18 0.11 -0.55 8.24 7.96 2eo1A9 VAL 59 HA -0.06 0.15 0.87 -0.75 4.13 4.33 2eo1A9 VAL 59 HB 0.05 -0.01 0.23 -0.04 2.12 2.34 2eo1A9 VAL 59 HG13 0.24 0.05 -0.09 -0.04 0.97 1.13 2eo1A9 VAL 59 HG23 0.04 -0.03 -0.07 -0.04 0.95 0.85 2eo1A9 GLU 60 H -0.01 0.53 0.36 -0.55 8.60 8.93 2eo1A9 GLU 60 HA 0.02 0.12 0.71 -0.75 4.29 4.39 2eo1A9 GLU 60 HB2 -0.00 0.06 0.13 -0.04 2.09 2.23 2eo1A9 GLU 60 HB3 0.01 -0.04 0.02 -0.04 1.99 1.94 2eo1A9 GLU 60 HG2 -0.02 -0.01 -0.04 -0.04 2.34 2.23 2eo1A9 GLU 60 HG3 -0.01 0.03 -0.11 -0.04 2.34 2.21 2eo1A9 ALA 61 H 0.03 0.16 0.11 -0.55 8.40 8.15 2eo1A9 ALA 61 HA 0.05 0.21 0.89 -0.75 4.34 4.75 2eo1A9 ALA 61 HB3 0.04 0.03 0.02 -0.04 1.41 1.45 2eo1A9 VAL 62 H 0.03 0.77 0.26 -0.55 8.24 8.76 2eo1A9 VAL 62 HA 0.01 0.20 0.92 -0.75 4.13 4.51 2eo1A9 VAL 62 HB 0.01 -0.12 0.14 -0.04 2.12 2.11 2eo1A9 VAL 62 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.82 2eo1A9 VAL 62 HG23 0.02 0.06 -0.08 -0.04 0.95 0.90 2eo1A9 GLY 63 H 0.01 0.12 0.10 -0.55 8.43 8.11 2eo1A9 GLY 63 HA2 0.01 -0.02 0.35 -0.51 4.01 3.84 2eo1A9 GLY 63 HA3 0.01 0.04 0.34 -0.51 4.01 3.89 2eo1A9 CYS 64 H 0.00 0.04 0.19 -0.55 8.50 8.19 2eo1A9 CYS 64 HA -0.00 0.03 0.28 -0.75 4.58 4.14 2eo1A9 CYS 64 HB2 0.01 0.03 -0.14 -0.04 2.97 2.82 2eo1A9 CYS 64 HB3 0.01 0.07 0.21 -0.04 2.97 3.21 2eo1A9 THR 65 H 0.02 0.61 -0.30 -0.55 8.28 8.06 2eo1A9 THR 65 HA 0.05 0.11 0.63 -0.75 4.39 4.44 2eo1A9 THR 65 HB 0.03 -0.08 -0.29 -0.04 4.32 3.94 2eo1A9 THR 65 HG23 0.04 -0.06 -0.30 -0.04 1.22 0.87 2eo1A9 ARG 66 H 0.09 0.55 0.15 -0.55 8.46 8.69 2eo1A9 ARG 66 HA 0.11 0.22 1.05 -0.75 4.34 4.97 2eo1A9 ARG 66 HB2 0.11 0.01 0.13 -0.04 1.90 2.11 2eo1A9 ARG 66 HB3 0.20 0.05 0.02 -0.04 1.80 2.03 2eo1A9 ARG 66 HG2 0.04 -0.11 -0.30 -0.04 1.67 1.26 2eo1A9 ARG 66 HG3 0.01 0.00 -0.10 -0.04 1.67 1.54 2eo1A9 ARG 66 HD2 0.07 0.02 0.02 -0.04 3.22 3.29 2eo1A9 ARG 66 HD3 0.06 0.02 0.03 -0.04 3.22 3.29 2eo1A9 ARG 67 H 0.10 0.30 0.07 -0.55 8.46 8.38 2eo1A9 ARG 67 HA 0.07 0.44 0.84 -0.75 4.34 4.94 2eo1A9 ARG 67 HB2 -0.04 -0.03 -0.23 -0.04 1.90 1.56 2eo1A9 ARG 67 HB3 0.02 -0.02 -0.22 -0.04 1.80 1.53 2eo1A9 ARG 67 HG2 0.02 -0.01 -0.04 -0.04 1.67 1.60 2eo1A9 ARG 67 HG3 -0.03 -0.02 -0.15 -0.04 1.67 1.43 2eo1A9 ARG 67 HD2 0.01 0.00 -0.15 -0.04 3.22 3.04 2eo1A9 ARG 67 HD3 -0.01 -0.00 -0.10 -0.04 3.22 3.07 2eo1A9 LEU 68 H -0.28 0.22 0.04 -0.55 8.37 7.81 2eo1A9 LEU 68 HA -0.37 0.30 1.08 -0.75 4.35 4.60 2eo1A9 LEU 68 HB2 -2.04 0.06 -0.07 -0.04 1.64 -0.45 2eo1A9 LEU 68 HB3 -1.21 -0.10 0.15 -0.04 1.64 0.44 2eo1A9 LEU 68 HG -0.59 0.08 -0.31 -0.04 1.64 0.77 2eo1A9 LEU 68 HD13 -1.13 0.00 -0.19 -0.04 0.93 -0.43 2eo1A9 LEU 68 HD23 -0.89 -0.01 -0.15 -0.04 0.89 -0.21 2eo1A9 VAL 69 H -0.19 0.44 0.19 -0.55 8.24 8.13 2eo1A9 VAL 69 HA -0.17 0.36 0.72 -0.75 4.13 4.28 2eo1A9 VAL 69 HB -0.10 -0.03 0.17 -0.04 2.12 2.11 2eo1A9 VAL 69 HG13 -0.08 0.01 -0.14 -0.04 0.97 0.72 2eo1A9 VAL 69 HG23 -0.08 -0.02 -0.07 -0.04 0.95 0.74 2eo1A9 VAL 70 H -0.16 0.56 0.08 -0.55 8.24 8.17 2eo1A9 VAL 70 HA -0.12 0.22 0.95 -0.75 4.13 4.43 2eo1A9 VAL 70 HB -0.18 -0.13 0.09 -0.04 2.12 1.85 2eo1A9 VAL 70 HG13 -0.06 0.02 -0.19 -0.04 0.97 0.70 2eo1A9 VAL 70 HG23 -0.32 0.01 -0.25 -0.04 0.95 0.35 2eo1A9 GLN 71 H -0.06 0.70 0.20 -0.55 8.47 8.76 2eo1A9 GLN 71 HA -0.04 -0.03 0.48 -0.75 4.36 4.02 2eo1A9 GLN 71 HB2 -0.03 0.09 0.21 -0.04 2.15 2.37 2eo1A9 GLN 71 HB3 -0.02 -0.05 0.07 -0.04 2.02 1.98 2eo1A9 GLN 71 HG2 -0.05 -0.03 -0.00 -0.04 2.40 2.28 2eo1A9 GLN 71 HG3 -0.03 0.09 0.05 -0.04 2.39 2.45 2eo1A9 GLN 71 HE21 -0.04 0.02 -0.04 -0.04 6.97 6.86 2eo1A9 GLN 71 HE22 -0.03 -0.03 -0.02 -0.04 7.69 7.56 2eo1A9 GLN 72 H -0.01 0.16 0.07 -0.55 8.47 8.15 2eo1A9 GLN 72 HA 0.02 0.01 0.27 -0.75 4.36 3.91 2eo1A9 GLN 72 HB2 0.01 0.08 -0.28 -0.04 2.15 1.92 2eo1A9 GLN 72 HB3 0.03 -0.07 0.21 -0.04 2.02 2.15 2eo1A9 GLN 72 HG2 0.06 -0.01 0.11 -0.04 2.40 2.51 2eo1A9 GLN 72 HG3 0.02 0.01 0.03 -0.04 2.39 2.41 2eo1A9 GLN 72 HE21 0.01 0.01 -0.05 -0.04 6.97 6.90 2eo1A9 GLN 72 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.63 2eo1A9 ALA 73 H -0.01 0.75 -0.11 -0.55 8.40 8.49 2eo1A9 ALA 73 HA -0.00 0.03 0.25 -0.75 4.34 3.86 2eo1A9 ALA 73 HB3 -0.02 -0.01 -0.07 -0.04 1.41 1.27 2eo1A9 GLY 74 H 0.02 0.15 0.29 -0.55 8.43 8.35 2eo1A9 GLY 74 HA2 0.02 0.22 0.88 -0.51 4.01 4.62 2eo1A9 GLY 74 HA3 0.02 0.06 0.36 -0.51 4.01 3.95 2eo1A9 GLN 75 H 0.02 0.25 0.18 -0.55 8.47 8.37 2eo1A9 GLN 75 HA 0.03 0.09 0.37 -0.75 4.36 4.09 2eo1A9 GLN 75 HB2 0.01 -0.08 0.17 -0.04 2.15 2.21 2eo1A9 GLN 75 HB3 0.01 0.07 0.03 -0.04 2.02 2.09 2eo1A9 GLN 75 HG2 0.01 0.07 0.20 -0.04 2.40 2.63 2eo1A9 GLN 75 HG3 0.01 -0.03 0.07 -0.04 2.39 2.39 2eo1A9 GLN 75 HE21 0.02 0.02 0.03 -0.04 6.97 7.00 2eo1A9 GLN 75 HE22 0.02 0.02 0.11 -0.04 7.69 7.80 2eo1A9 ALA 76 H 0.02 0.01 -0.27 -0.55 8.40 7.61 2eo1A9 ALA 76 HA 0.02 0.09 0.36 -0.75 4.34 4.05 2eo1A9 ALA 76 HB3 0.02 -0.01 0.05 -0.04 1.41 1.42 2eo1A9 GLU 77 H 0.04 0.01 -0.14 -0.55 8.60 7.97 2eo1A9 GLU 77 HA 0.12 0.01 0.31 -0.75 4.29 3.98 2eo1A9 GLU 77 HB2 0.04 -0.07 0.10 -0.04 2.09 2.12 2eo1A9 GLU 77 HB3 0.08 -0.04 -0.07 -0.04 1.99 1.92 2eo1A9 GLU 77 HG2 0.03 -0.04 0.04 -0.04 2.34 2.32 2eo1A9 GLU 77 HG3 0.02 0.10 -0.09 -0.04 2.34 2.33 2eo1A9 ALA 78 H 0.06 0.36 -0.50 -0.55 8.40 7.77 2eo1A9 ALA 78 HA 0.12 0.01 0.41 -0.75 4.34 4.13 2eo1A9 ALA 78 HB3 0.05 -0.05 0.09 -0.04 1.41 1.46 2eo1A9 GLY 79 H 0.22 0.21 0.39 -0.55 8.43 8.70 2eo1A9 GLY 79 HA2 0.06 0.04 0.39 -0.51 4.01 3.99 2eo1A9 GLY 79 HA3 0.03 0.07 0.43 -0.51 4.01 4.03 2eo1A9 GLU 80 H -0.01 0.18 0.17 -0.55 8.60 8.38 2eo1A9 GLU 80 HA 0.18 0.21 1.05 -0.75 4.29 4.98 2eo1A9 GLU 80 HB2 0.01 -0.04 0.20 -0.04 2.09 2.22 2eo1A9 GLU 80 HB3 0.02 0.03 0.02 -0.04 1.99 2.02 2eo1A9 GLU 80 HG2 0.01 0.02 -0.04 -0.04 2.34 2.29 2eo1A9 GLU 80 HG3 0.02 -0.01 -0.15 -0.04 2.34 2.17 2eo1A9 TYR 81 H 0.49 0.80 0.33 -0.55 8.29 9.36 2eo1A9 TYR 81 HA 0.21 0.14 0.80 -0.75 4.56 4.96 2eo1A9 TYR 81 HB2 0.28 0.09 0.14 -0.04 3.06 3.52 2eo1A9 TYR 81 HB3 0.41 -0.06 -0.08 -0.04 2.98 3.22 2eo1A9 TYR 81 HD2 0.03 -0.00 -0.12 -0.04 7.15 7.02 2eo1A9 TYR 81 HE2 -0.04 0.08 -0.05 -0.04 6.85 6.80 2eo1A9 SER 82 H 0.34 0.47 0.34 -0.55 8.46 9.06 2eo1A9 SER 82 HA 0.25 0.37 1.12 -0.75 4.49 5.48 2eo1A9 SER 82 HB2 0.20 -0.04 0.22 -0.04 3.95 4.28 2eo1A9 SER 82 HB3 0.09 0.03 0.00 -0.04 3.93 4.02 2eo1A9 CYS 83 H 0.04 0.30 0.07 -0.55 8.50 8.36 2eo1A9 CYS 83 HA -0.68 0.09 0.65 -0.75 4.58 3.89 2eo1A9 CYS 83 HB2 -1.91 0.01 -0.08 -0.04 2.97 0.95 2eo1A9 CYS 83 HB3 -0.36 -0.06 0.11 -0.04 2.97 2.62 2eo1A9 GLU 84 H -0.00 0.65 0.21 -0.55 8.60 8.92 2eo1A9 GLU 84 HA 0.10 0.18 0.75 -0.75 4.29 4.57 2eo1A9 GLU 84 HB2 0.34 0.03 0.07 -0.04 2.09 2.49 2eo1A9 GLU 84 HB3 0.29 -0.06 0.05 -0.04 1.99 2.23 2eo1A9 GLU 84 HG2 0.09 -0.09 -0.07 -0.04 2.34 2.23 2eo1A9 GLU 84 HG3 0.04 -0.02 -0.14 -0.04 2.34 2.18 2eo1A9 ALA 85 H 0.16 0.46 0.15 -0.55 8.40 8.62 2eo1A9 ALA 85 HA 0.02 0.10 0.58 -0.75 4.34 4.28 2eo1A9 ALA 85 HB3 -0.15 0.04 -0.13 -0.04 1.41 1.13 2eo1A9 GLY 86 H 0.01 0.22 0.11 -0.55 8.43 8.23 2eo1A9 GLY 86 HA2 -0.00 0.05 0.41 -0.51 4.01 3.96 2eo1A9 GLY 86 HA3 -0.01 0.04 0.51 -0.51 4.01 4.04 2eo1A9 GLY 87 H 0.04 0.26 0.36 -0.55 8.43 8.55 2eo1A9 GLY 87 HA2 0.03 0.19 0.77 -0.51 4.01 4.48 2eo1A9 GLY 87 HA3 0.02 -0.00 0.34 -0.51 4.01 3.86 2eo1A9 GLN 88 H 0.13 0.37 0.18 -0.55 8.47 8.60 2eo1A9 GLN 88 HA 0.05 0.22 0.92 -0.75 4.36 4.79 2eo1A9 GLN 88 HB2 0.33 -0.06 0.12 -0.04 2.15 2.50 2eo1A9 GLN 88 HB3 0.11 0.02 0.13 -0.04 2.02 2.25 2eo1A9 GLN 88 HG2 0.06 0.12 0.01 -0.04 2.40 2.55 2eo1A9 GLN 88 HG3 0.09 0.09 -0.04 -0.04 2.39 2.49 2eo1A9 GLN 88 HE21 0.16 -0.34 0.27 -0.04 6.97 7.02 2eo1A9 GLN 88 HE22 0.10 0.01 0.07 -0.04 7.69 7.84 2eo1A9 GLN 89 H -0.05 0.27 0.21 -0.55 8.47 8.36 2eo1A9 GLN 89 HA -0.17 0.38 0.64 -0.75 4.36 4.46 2eo1A9 GLN 89 HB2 -0.02 -0.02 -0.28 -0.04 2.15 1.80 2eo1A9 GLN 89 HB3 0.02 -0.02 -0.27 -0.04 2.02 1.71 2eo1A9 GLN 89 HG2 -0.03 -0.01 -0.18 -0.04 2.40 2.15 2eo1A9 GLN 89 HG3 -0.03 -0.06 -0.15 -0.04 2.39 2.11 2eo1A9 GLN 89 HE21 -0.06 0.02 -0.10 -0.04 6.97 6.79 2eo1A9 GLN 89 HE22 -0.05 -0.04 0.01 -0.04 7.69 7.57 2eo1A9 LEU 90 H -0.21 0.26 0.17 -0.55 8.37 8.04 2eo1A9 LEU 90 HA -0.16 0.31 0.98 -0.75 4.35 4.73 2eo1A9 LEU 90 HB2 0.07 -0.07 0.02 -0.04 1.64 1.62 2eo1A9 LEU 90 HB3 -0.20 0.10 0.12 -0.04 1.64 1.62 2eo1A9 LEU 90 HG -0.84 -0.10 -0.29 -0.04 1.64 0.38 2eo1A9 LEU 90 HD13 -0.23 -0.00 -0.05 -0.04 0.93 0.61 2eo1A9 LEU 90 HD23 -0.25 0.02 -0.17 -0.04 0.89 0.45 2eo1A9 SER 91 H -0.16 0.34 0.27 -0.55 8.46 8.36 2eo1A9 SER 91 HA 0.08 0.22 1.06 -0.75 4.49 5.10 2eo1A9 SER 91 HB2 -0.13 -0.09 0.17 -0.04 3.95 3.86 2eo1A9 SER 91 HB3 -0.17 -0.03 0.06 -0.04 3.93 3.75 2eo1A9 PHE 92 H 0.30 0.49 0.24 -0.55 8.34 8.82 2eo1A9 PHE 92 HA 0.22 0.26 0.91 -0.75 4.62 5.25 2eo1A9 PHE 92 HB2 0.38 0.05 0.09 -0.04 3.15 3.62 2eo1A9 PHE 92 HB3 0.18 -0.04 -0.03 -0.04 3.06 3.13 2eo1A9 PHE 92 HD2 0.17 -0.04 -0.24 -0.04 7.28 7.13 2eo1A9 PHE 92 HE2 0.03 -0.01 -0.05 -0.04 7.38 7.30 2eo1A9 PHE 92 HZ 0.07 -0.01 0.01 -0.04 7.32 7.34 2eo1A9 ARG 93 H 0.27 0.48 0.31 -0.55 8.46 8.97 2eo1A9 ARG 93 HA 0.20 0.20 0.92 -0.75 4.34 4.91 2eo1A9 ARG 93 HB2 0.17 0.00 0.11 -0.04 1.90 2.14 2eo1A9 ARG 93 HB3 0.21 -0.07 0.28 -0.04 1.80 2.18 2eo1A9 ARG 93 HG2 0.11 -0.04 -0.05 -0.04 1.67 1.64 2eo1A9 ARG 93 HG3 0.11 0.03 -0.38 -0.04 1.67 1.39 2eo1A9 ARG 93 HD2 0.10 0.12 -0.04 -0.04 3.22 3.37 2eo1A9 ARG 93 HD3 0.07 -0.04 -0.06 -0.04 3.22 3.15 2eo1A9 LEU 94 H 0.20 0.80 0.45 -0.55 8.37 9.27 2eo1A9 LEU 94 HA 0.06 0.25 0.96 -0.75 4.35 4.87 2eo1A9 LEU 94 HB2 -0.08 -0.02 -0.07 -0.04 1.64 1.43 2eo1A9 LEU 94 HB3 0.20 -0.03 0.22 -0.04 1.64 1.98 2eo1A9 LEU 94 HG 0.04 -0.05 -0.42 -0.04 1.64 1.17 2eo1A9 LEU 94 HD13 -0.04 0.00 -0.24 -0.04 0.93 0.61 2eo1A9 LEU 94 HD23 -0.16 0.05 -0.20 -0.04 0.89 0.54 2eo1A9 GLN 95 H 0.05 0.61 0.30 -0.55 8.47 8.88 2eo1A9 GLN 95 HA 0.05 0.15 0.82 -0.75 4.36 4.63 2eo1A9 GLN 95 HB2 0.04 -0.03 0.18 -0.04 2.15 2.30 2eo1A9 GLN 95 HB3 0.03 0.01 -0.03 -0.04 2.02 1.99 2eo1A9 GLN 95 HG2 0.05 0.04 -0.07 -0.04 2.40 2.38 2eo1A9 GLN 95 HG3 0.06 0.02 -0.14 -0.04 2.39 2.29 2eo1A9 GLN 95 HE21 0.05 0.00 -0.07 -0.04 6.97 6.92 2eo1A9 GLN 95 HE22 0.03 -0.01 -0.05 -0.04 7.69 7.63 2eo1A9 VAL 96 H 0.03 0.21 0.10 -0.55 8.24 8.03 2eo1A9 VAL 96 HA 0.02 0.25 0.70 -0.75 4.13 4.35 2eo1A9 VAL 96 HB 0.03 -0.02 -0.17 -0.04 2.12 1.92 2eo1A9 VAL 96 HG13 0.02 -0.00 -0.47 -0.04 0.97 0.47 2eo1A9 VAL 96 HG23 0.03 0.01 -0.65 -0.04 0.95 0.30 2eo1A9 ALA 97 H 0.02 0.38 0.28 -0.55 8.40 8.53 2eo1A9 ALA 97 HA 0.02 0.08 0.67 -0.75 4.34 4.36 2eo1A9 ALA 97 HB3 0.02 -0.00 0.13 -0.04 1.41 1.51 2eo1A9 GLY 98 H 0.01 0.16 0.21 -0.55 8.43 8.26 2eo1A9 GLY 98 HA2 0.01 0.05 0.34 -0.51 4.01 3.89 2eo1A9 GLY 98 HA3 0.01 0.05 0.51 -0.51 4.01 4.07 2eo1A9 GLN 99 H -0.01 0.07 0.16 -0.55 8.47 8.14 2eo1A9 GLN 99 HA 0.00 0.16 0.96 -0.75 4.36 4.73 2eo1A9 GLN 99 HB2 -0.02 0.02 0.05 -0.04 2.15 2.15 2eo1A9 GLN 99 HB3 -0.01 0.02 0.00 -0.04 2.02 1.99 2eo1A9 GLN 99 HG2 -0.02 -0.06 0.16 -0.04 2.40 2.43 2eo1A9 GLN 99 HG3 -0.05 0.09 0.05 -0.04 2.39 2.45 2eo1A9 GLN 99 HE21 -0.04 0.01 -0.02 -0.04 6.97 6.87 2eo1A9 GLN 99 HE22 -0.03 0.01 0.00 -0.04 7.69 7.63 2eo1A9 CYS 100 H -0.04 0.09 0.15 -0.55 8.50 8.15 2eo1A9 CYS 100 HA -0.01 0.07 0.57 -0.75 4.58 4.45 2eo1A9 CYS 100 HB2 -0.08 0.05 -0.18 -0.04 2.97 2.71 2eo1A9 CYS 100 HB3 -0.16 0.00 0.02 -0.04 2.97 2.79 2eo1A9 PHE 101 H 0.14 0.16 -0.03 -0.55 8.34 8.06 2eo1A9 PHE 101 HA -0.00 -0.01 0.36 -0.75 4.62 4.21 2eo1A9 PHE 101 HB2 -0.00 -0.03 0.09 -0.04 3.15 3.17 2eo1A9 PHE 101 HB3 -0.00 0.14 0.17 -0.04 3.06 3.33 2eo1A9 PHE 101 HD2 -0.00 -0.05 -0.19 -0.04 7.28 7.00 2eo1A9 PHE 101 HE2 -0.00 0.03 -0.04 -0.04 7.38 7.32 2eo1A9 PHE 101 HZ -0.00 0.02 -0.03 -0.04 7.32 7.27 2eo1A9 GLY 102 H 0.16 0.09 0.11 -0.55 8.43 8.25 2eo1A9 GLY 102 HA2 -0.05 0.16 0.32 -0.51 4.01 3.94 2eo1A9 GLY 102 HA3 0.06 0.02 0.24 -0.51 4.01 3.81