============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 2 0.840 -19.532 -1.705 3.732 -99.200 -91.000 PHE 27 1.000 -3.641 9.827 -2.446 -99.200 -91.000 HIS 28 0.900 -7.782 7.865 -0.086 -99.200 -91.000 HIS 34 0.900 4.406 8.998 7.759 -99.200 -91.000 TRP 46 1.040 3.036 2.791 -2.850 -99.200 -91.000 TRP6 46 1.020 3.511 5.022 -3.451 -99.200 -91.000 PHE 47 1.000 9.718 -0.601 -7.016 -99.200 -91.000 PHE 48 1.000 0.659 -6.787 -7.517 -99.200 -91.000 PHE 59 1.000 -13.928 0.872 -7.638 -99.200 -91.000 TYR 68 0.840 -3.375 -10.739 -5.804 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ttnA10 GLY 21 H 0.17 -0.07 -0.09 -0.55 8.43 7.89 1ttnA10 GLY 21 HA2 0.23 -0.01 0.16 -0.51 4.01 3.88 1ttnA10 GLY 21 HA3 0.14 -0.01 0.16 -0.51 4.01 3.80 1ttnA10 TYR 22 H 0.18 0.15 0.05 -0.55 8.29 8.12 1ttnA10 TYR 22 HA 0.00 0.19 0.78 -0.75 4.56 4.79 1ttnA10 TYR 22 HB2 0.01 0.02 0.05 -0.04 3.06 3.11 1ttnA10 TYR 22 HB3 0.01 -0.07 0.21 -0.04 2.98 3.09 1ttnA10 TYR 22 HD2 0.00 -0.01 -0.04 -0.04 7.15 7.05 1ttnA10 TYR 22 HE2 0.00 0.01 -0.03 -0.04 6.85 6.79 1ttnA10 GLU 23 H 0.28 0.11 0.15 -0.55 8.60 8.60 1ttnA10 GLU 23 HA -0.03 0.21 0.98 -0.75 4.29 4.70 1ttnA10 GLU 23 HB2 0.10 0.06 0.03 -0.04 2.09 2.23 1ttnA10 GLU 23 HB3 0.30 0.02 0.03 -0.04 1.99 2.29 1ttnA10 GLU 23 HG2 0.22 -0.09 0.17 -0.04 2.34 2.60 1ttnA10 GLU 23 HG3 0.11 0.02 0.10 -0.04 2.34 2.52 1ttnA10 CYS 24 H 0.00 0.46 0.35 -0.55 8.50 8.77 1ttnA10 CYS 24 HA 0.04 0.18 0.74 -0.75 4.58 4.78 1ttnA10 CYS 24 HB2 0.02 -0.07 -0.46 -0.04 2.97 2.42 1ttnA10 CYS 24 HB3 0.03 -0.06 -0.07 -0.04 2.97 2.83 1ttnA10 GLN 25 H 0.04 0.21 0.06 -0.55 8.47 8.24 1ttnA10 GLN 25 HA 0.04 0.08 0.65 -0.75 4.36 4.38 1ttnA10 GLN 25 HB2 0.04 0.11 -0.15 -0.04 2.15 2.11 1ttnA10 GLN 25 HB3 0.03 0.10 -0.16 -0.04 2.02 1.95 1ttnA10 GLN 25 HG2 0.05 -0.15 0.06 -0.04 2.40 2.32 1ttnA10 GLN 25 HG3 0.04 0.09 -0.15 -0.04 2.39 2.33 1ttnA10 GLN 25 HE21 0.04 0.06 -0.16 -0.04 6.97 6.87 1ttnA10 GLN 25 HE22 0.04 0.04 -0.12 -0.04 7.69 7.61 1ttnA10 LEU 26 H 0.06 0.51 0.21 -0.55 8.37 8.61 1ttnA10 LEU 26 HA 0.09 0.33 1.07 -0.75 4.35 5.08 1ttnA10 LEU 26 HB2 0.07 -0.09 -0.06 -0.04 1.64 1.51 1ttnA10 LEU 26 HB3 0.08 -0.04 0.00 -0.04 1.64 1.64 1ttnA10 LEU 26 HG 0.13 0.16 -0.08 -0.04 1.64 1.81 1ttnA10 LEU 26 HD13 0.17 0.02 -0.04 -0.04 0.93 1.03 1ttnA10 LEU 26 HD23 0.09 -0.05 -0.10 -0.04 0.89 0.79 1ttnA10 ARG 27 H 0.12 0.46 0.33 -0.55 8.46 8.82 1ttnA10 ARG 27 HA 0.07 0.15 1.03 -0.75 4.34 4.85 1ttnA10 ARG 27 HB2 0.06 0.07 -0.16 -0.04 1.90 1.84 1ttnA10 ARG 27 HB3 0.06 -0.01 -0.12 -0.04 1.80 1.69 1ttnA10 ARG 27 HG2 0.09 -0.04 -0.08 -0.04 1.67 1.59 1ttnA10 ARG 27 HG3 0.10 -0.09 -0.05 -0.04 1.67 1.60 1ttnA10 ARG 27 HD2 0.04 -0.00 -0.26 -0.04 3.22 2.96 1ttnA10 ARG 27 HD3 0.04 0.04 -0.24 -0.04 3.22 3.02 1ttnA10 LEU 28 H 0.07 0.40 0.13 -0.55 8.37 8.42 1ttnA10 LEU 28 HA 0.12 0.24 0.97 -0.75 4.35 4.91 1ttnA10 LEU 28 HB2 0.07 0.10 0.14 -0.04 1.64 1.91 1ttnA10 LEU 28 HB3 0.08 -0.00 -0.02 -0.04 1.64 1.66 1ttnA10 LEU 28 HG 0.11 0.05 -0.06 -0.04 1.64 1.69 1ttnA10 LEU 28 HD13 0.17 0.00 -0.15 -0.04 0.93 0.92 1ttnA10 LEU 28 HD23 0.15 -0.03 -0.38 -0.04 0.89 0.59 1ttnA10 ARG 29 H 0.08 0.39 0.16 -0.55 8.46 8.54 1ttnA10 ARG 29 HA 0.03 0.18 0.64 -0.75 4.34 4.43 1ttnA10 ARG 29 HB2 0.04 0.00 -0.22 -0.04 1.90 1.68 1ttnA10 ARG 29 HB3 0.04 -0.06 0.13 -0.04 1.80 1.87 1ttnA10 ARG 29 HG2 0.01 0.01 -0.13 -0.04 1.67 1.52 1ttnA10 ARG 29 HG3 0.01 -0.00 -0.09 -0.04 1.67 1.54 1ttnA10 ARG 29 HD2 0.01 -0.07 -0.16 -0.04 3.22 2.95 1ttnA10 ARG 29 HD3 0.01 0.12 -0.56 -0.04 3.22 2.75 1ttnA10 LEU 30 H 0.02 0.68 0.11 -0.55 8.37 8.64 1ttnA10 LEU 30 HA 0.01 0.20 0.60 -0.75 4.35 4.40 1ttnA10 LEU 30 HB2 0.00 -0.01 0.14 -0.04 1.64 1.73 1ttnA10 LEU 30 HB3 -0.01 -0.06 0.06 -0.04 1.64 1.59 1ttnA10 LEU 30 HG -0.00 0.04 -0.03 -0.04 1.64 1.60 1ttnA10 LEU 30 HD13 -0.03 0.01 -0.12 -0.04 0.93 0.75 1ttnA10 LEU 30 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.77 1ttnA10 SER 31 H -0.01 0.23 0.26 -0.55 8.46 8.39 1ttnA10 SER 31 HA -0.01 0.11 0.44 -0.75 4.49 4.27 1ttnA10 SER 31 HB2 -0.02 0.06 0.14 -0.04 3.95 4.10 1ttnA10 SER 31 HB3 -0.01 0.01 0.33 -0.04 3.93 4.21 1ttnA10 THR 32 H -0.01 -0.04 -0.69 -0.55 8.28 6.99 1ttnA10 THR 32 HA -0.01 0.20 0.70 -0.75 4.39 4.53 1ttnA10 THR 32 HB -0.01 0.05 0.13 -0.04 4.32 4.45 1ttnA10 THR 32 HG23 -0.01 -0.00 -0.04 -0.04 1.22 1.13 1ttnA10 GLY 33 H -0.00 0.41 -0.46 -0.55 8.43 7.82 1ttnA10 GLY 33 HA2 -0.00 0.01 0.24 -0.51 4.01 3.75 1ttnA10 GLY 33 HA3 -0.00 0.06 0.43 -0.51 4.01 3.99 1ttnA10 LYS 34 H 0.00 0.22 -0.08 -0.55 8.42 8.01 1ttnA10 LYS 34 HA 0.00 0.28 0.87 -0.75 4.32 4.72 1ttnA10 LYS 34 HB2 -0.00 -0.07 -0.11 -0.04 1.87 1.65 1ttnA10 LYS 34 HB3 0.01 -0.09 0.10 -0.04 1.79 1.77 1ttnA10 LYS 34 HG2 -0.00 0.09 -0.10 -0.04 1.46 1.41 1ttnA10 LYS 34 HG3 -0.00 -0.00 -0.07 -0.04 1.46 1.34 1ttnA10 LYS 34 HD2 0.00 0.06 -0.02 -0.04 1.69 1.69 1ttnA10 LYS 34 HD3 0.00 0.04 -0.08 -0.04 1.68 1.61 1ttnA10 LYS 34 HE2 0.01 -0.12 -0.28 -0.04 2.99 2.56 1ttnA10 LYS 34 HE3 0.01 0.02 -0.72 -0.04 2.99 2.26 1ttnA10 ASP 35 H 0.01 0.32 0.07 -0.55 8.40 8.26 1ttnA10 ASP 35 HA 0.03 0.62 1.14 -0.75 4.63 5.67 1ttnA10 ASP 35 HB2 0.02 -0.06 -0.01 -0.04 2.71 2.61 1ttnA10 ASP 35 HB3 0.01 0.00 0.13 -0.04 2.70 2.81 1ttnA10 LEU 36 H 0.04 0.38 0.23 -0.55 8.37 8.48 1ttnA10 LEU 36 HA 0.03 0.10 0.65 -0.75 4.35 4.37 1ttnA10 LEU 36 HB2 0.02 0.08 -0.32 -0.04 1.64 1.38 1ttnA10 LEU 36 HB3 0.03 -0.04 -0.06 -0.04 1.64 1.53 1ttnA10 LEU 36 HG 0.01 0.03 -0.08 -0.04 1.64 1.56 1ttnA10 LEU 36 HD13 0.03 0.00 -0.36 -0.04 0.93 0.56 1ttnA10 LEU 36 HD23 0.02 -0.02 0.08 -0.04 0.89 0.93 1ttnA10 LYS 37 H 0.03 0.20 0.12 -0.55 8.42 8.21 1ttnA10 LYS 37 HA 0.06 0.09 1.11 -0.75 4.32 4.83 1ttnA10 LYS 37 HB2 0.06 0.03 -0.47 -0.04 1.87 1.45 1ttnA10 LYS 37 HB3 0.05 -0.04 -0.02 -0.04 1.79 1.73 1ttnA10 LYS 37 HG2 0.04 -0.00 -0.26 -0.04 1.46 1.20 1ttnA10 LYS 37 HG3 0.04 -0.01 -0.12 -0.04 1.46 1.33 1ttnA10 LYS 37 HD2 0.03 0.02 0.05 -0.04 1.69 1.75 1ttnA10 LYS 37 HD3 0.03 -0.04 0.20 -0.04 1.68 1.83 1ttnA10 LYS 37 HE2 0.02 0.02 0.02 -0.04 2.99 3.02 1ttnA10 LYS 37 HE3 0.03 -0.03 0.01 -0.04 2.99 2.96 1ttnA10 LEU 38 H 0.06 0.26 0.32 -0.55 8.37 8.47 1ttnA10 LEU 38 HA 0.04 0.14 0.78 -0.75 4.35 4.55 1ttnA10 LEU 38 HB2 0.05 0.07 -0.02 -0.04 1.64 1.70 1ttnA10 LEU 38 HB3 0.07 -0.05 0.09 -0.04 1.64 1.70 1ttnA10 LEU 38 HG 0.06 -0.02 -0.43 -0.04 1.64 1.21 1ttnA10 LEU 38 HD13 0.04 0.01 0.05 -0.04 0.93 0.99 1ttnA10 LEU 38 HD23 0.08 -0.05 -0.10 -0.04 0.89 0.77 1ttnA10 VAL 39 H 0.03 0.15 0.17 -0.55 8.24 8.04 1ttnA10 VAL 39 HA 0.03 0.08 0.66 -0.75 4.13 4.14 1ttnA10 VAL 39 HB 0.01 -0.03 0.10 -0.04 2.12 2.17 1ttnA10 VAL 39 HG13 -0.00 0.02 0.05 -0.04 0.97 1.00 1ttnA10 VAL 39 HG23 0.02 0.01 0.07 -0.04 0.95 1.02 1ttnA10 VAL 40 H 0.01 0.89 0.32 -0.55 8.24 8.91 1ttnA10 VAL 40 HA -0.00 0.17 0.60 -0.75 4.13 4.14 1ttnA10 VAL 40 HB 0.01 -0.36 -0.04 -0.04 2.12 1.69 1ttnA10 VAL 40 HG13 0.05 0.05 -0.39 -0.04 0.97 0.64 1ttnA10 VAL 40 HG23 0.03 -0.02 -0.33 -0.04 0.95 0.59 1ttnA10 ARG 41 H -0.05 -0.01 -0.00 -0.55 8.46 7.85 1ttnA10 ARG 41 HA -0.02 0.06 0.44 -0.75 4.34 4.07 1ttnA10 ARG 41 HB2 -0.12 0.36 0.07 -0.04 1.90 2.16 1ttnA10 ARG 41 HB3 -0.10 0.12 -0.23 -0.04 1.80 1.54 1ttnA10 ARG 41 HG2 -0.14 -0.12 0.19 -0.04 1.67 1.56 1ttnA10 ARG 41 HG3 -0.16 0.13 0.03 -0.04 1.67 1.63 1ttnA10 ARG 41 HD2 -0.08 0.07 -0.18 -0.04 3.22 2.99 1ttnA10 ARG 41 HD3 -0.11 -0.26 0.08 -0.04 3.22 2.89 1ttnA10 SER 42 H 0.06 0.15 -0.09 -0.55 8.46 8.04 1ttnA10 SER 42 HA 0.23 -0.06 0.35 -0.75 4.49 4.25 1ttnA10 SER 42 HB2 -0.71 0.07 0.02 -0.04 3.95 3.29 1ttnA10 SER 42 HB3 0.19 -0.04 0.06 -0.04 3.93 4.09 1ttnA10 THR 43 H -0.17 1.14 0.98 -0.55 8.28 9.67 1ttnA10 THR 43 HA -0.23 0.13 0.68 -0.75 4.39 4.21 1ttnA10 THR 43 HB -0.26 -0.00 0.17 -0.04 4.32 4.19 1ttnA10 THR 43 HG23 -0.20 0.00 0.05 -0.04 1.22 1.02 1ttnA10 ASP 44 H -0.15 0.02 -0.52 -0.55 8.40 7.20 1ttnA10 ASP 44 HA -0.48 0.23 0.65 -0.75 4.63 4.27 1ttnA10 ASP 44 HB2 -0.08 -0.27 0.14 -0.04 2.71 2.46 1ttnA10 ASP 44 HB3 0.01 -0.12 0.07 -0.04 2.70 2.62 1ttnA10 THR 45 H 0.01 -0.04 -0.10 -0.55 8.28 7.60 1ttnA10 THR 45 HA 0.02 -0.12 0.35 -0.75 4.39 3.88 1ttnA10 THR 45 HB -0.01 -0.33 -0.02 -0.04 4.32 3.92 1ttnA10 THR 45 HG23 0.03 0.04 -0.22 -0.04 1.22 1.03 1ttnA10 VAL 46 H -0.04 -0.09 0.05 -0.55 8.24 7.61 1ttnA10 VAL 46 HA 0.01 0.06 0.25 -0.75 4.13 3.70 1ttnA10 VAL 46 HB -0.27 -0.07 0.25 -0.04 2.12 1.99 1ttnA10 VAL 46 HG13 -0.97 0.04 -0.19 -0.04 0.97 -0.19 1ttnA10 VAL 46 HG23 -0.05 -0.00 0.03 -0.04 0.95 0.88 1ttnA10 PHE 47 H 0.07 0.46 -0.48 -0.55 8.34 7.84 1ttnA10 PHE 47 HA -0.15 0.05 0.59 -0.75 4.62 4.36 1ttnA10 PHE 47 HB2 -0.13 -0.11 0.19 -0.04 3.15 3.06 1ttnA10 PHE 47 HB3 0.04 0.11 0.31 -0.04 3.06 3.47 1ttnA10 PHE 47 HD2 -0.29 -0.01 -0.01 -0.04 7.28 6.93 1ttnA10 PHE 47 HE2 -0.24 0.01 0.00 -0.04 7.38 7.11 1ttnA10 PHE 47 HZ -0.10 0.01 0.01 -0.04 7.32 7.20 1ttnA10 HIS 48 H 0.57 0.64 0.29 -0.55 8.41 9.36 1ttnA10 HIS 48 HA 0.11 0.04 0.55 -0.75 4.63 4.57 1ttnA10 HIS 48 HB2 0.09 -0.19 0.20 -0.04 3.26 3.33 1ttnA10 HIS 48 HB3 0.08 -0.03 0.06 -0.04 3.20 3.27 1ttnA10 HIS 48 HD2 0.08 -0.04 0.05 -0.04 6.97 7.01 1ttnA10 HIS 48 HE1 -0.10 -0.06 0.13 -0.04 7.75 7.67 1ttnA10 MET 49 H 0.17 0.82 -0.40 -0.55 8.47 8.51 1ttnA10 MET 49 HA 0.10 0.06 0.20 -0.75 4.52 4.12 1ttnA10 MET 49 HB2 0.08 -0.19 -0.64 -0.04 2.15 1.36 1ttnA10 MET 49 HB3 0.10 0.11 -0.10 -0.04 2.03 2.09 1ttnA10 MET 49 HG2 0.11 -0.08 -0.18 -0.04 2.63 2.43 1ttnA10 MET 49 HG3 0.13 0.08 -0.24 -0.04 2.56 2.49 1ttnA10 MET 49 HE3 0.09 0.08 -0.02 -0.04 2.10 2.20 1ttnA10 LYS 50 H 0.09 0.48 -0.57 -0.55 8.42 7.86 1ttnA10 LYS 50 HA 0.21 -0.03 0.44 -0.75 4.32 4.19 1ttnA10 LYS 50 HB2 0.69 -0.08 0.14 -0.04 1.87 2.58 1ttnA10 LYS 50 HB3 0.08 0.25 0.45 -0.04 1.79 2.52 1ttnA10 LYS 50 HG2 0.09 -0.09 -0.17 -0.04 1.46 1.25 1ttnA10 LYS 50 HG3 0.42 -0.07 0.04 -0.04 1.46 1.81 1ttnA10 LYS 50 HD2 -0.47 -0.09 0.12 -0.04 1.69 1.21 1ttnA10 LYS 50 HD3 -0.31 0.11 -0.08 -0.04 1.68 1.36 1ttnA10 LYS 50 HE2 -0.14 -0.04 -0.04 -0.04 2.99 2.73 1ttnA10 LYS 50 HE3 -0.11 -0.06 0.04 -0.04 2.99 2.82 1ttnA10 ARG 51 H -0.05 0.43 -0.08 -0.55 8.46 8.21 1ttnA10 ARG 51 HA -0.08 -0.01 0.44 -0.75 4.34 3.94 1ttnA10 ARG 51 HB2 -0.19 -0.03 0.21 -0.04 1.90 1.85 1ttnA10 ARG 51 HB3 0.03 0.10 0.33 -0.04 1.80 2.23 1ttnA10 ARG 51 HG2 -0.01 -0.02 0.04 -0.04 1.67 1.63 1ttnA10 ARG 51 HG3 0.02 0.00 -0.15 -0.04 1.67 1.50 1ttnA10 ARG 51 HD2 -0.06 -0.01 0.10 -0.04 3.22 3.21 1ttnA10 ARG 51 HD3 -0.13 -0.01 0.05 -0.04 3.22 3.08 1ttnA10 ARG 52 H 0.06 0.75 0.01 -0.55 8.46 8.74 1ttnA10 ARG 52 HA 0.05 0.04 0.48 -0.75 4.34 4.15 1ttnA10 ARG 52 HB2 0.06 0.08 0.01 -0.04 1.90 2.01 1ttnA10 ARG 52 HB3 0.04 -0.02 0.07 -0.04 1.80 1.84 1ttnA10 ARG 52 HG2 0.05 0.00 -0.02 -0.04 1.67 1.66 1ttnA10 ARG 52 HG3 0.08 0.00 0.01 -0.04 1.67 1.72 1ttnA10 ARG 52 HD2 0.05 -0.03 -0.03 -0.04 3.22 3.18 1ttnA10 ARG 52 HD3 0.05 0.05 -0.03 -0.04 3.22 3.26 1ttnA10 LEU 53 H 0.08 0.20 -0.77 -0.55 8.37 7.33 1ttnA10 LEU 53 HA 0.06 -0.00 0.49 -0.75 4.35 4.14 1ttnA10 LEU 53 HB2 0.13 0.23 0.10 -0.04 1.64 2.06 1ttnA10 LEU 53 HB3 0.12 0.17 0.27 -0.04 1.64 2.16 1ttnA10 LEU 53 HG 0.05 -0.03 -0.13 -0.04 1.64 1.49 1ttnA10 LEU 53 HD13 0.07 -0.03 -0.01 -0.04 0.93 0.92 1ttnA10 LEU 53 HD23 0.13 -0.02 -0.10 -0.04 0.89 0.86 1ttnA10 HIS 54 H 0.13 0.66 -0.01 -0.55 8.41 8.64 1ttnA10 HIS 54 HA -0.01 -0.30 0.34 -0.75 4.63 3.90 1ttnA10 HIS 54 HB2 -0.02 0.15 -0.49 -0.04 3.26 2.86 1ttnA10 HIS 54 HB3 -0.02 0.11 0.04 -0.04 3.20 3.29 1ttnA10 HIS 54 HD2 -0.01 0.02 -0.24 -0.04 6.97 6.69 1ttnA10 HIS 54 HE1 -0.02 0.04 0.01 -0.04 7.75 7.74 1ttnA10 ALA 55 H 0.09 0.39 -0.17 -0.55 8.40 8.17 1ttnA10 ALA 55 HA -0.04 0.04 0.28 -0.75 4.34 3.86 1ttnA10 ALA 55 HB3 0.04 -0.00 0.06 -0.04 1.41 1.47 1ttnA10 ALA 56 H -0.00 0.46 -0.43 -0.55 8.40 7.89 1ttnA10 ALA 56 HA -0.02 0.08 0.65 -0.75 4.34 4.29 1ttnA10 ALA 56 HB3 0.01 -0.05 0.07 -0.04 1.41 1.41 1ttnA10 GLU 57 H -0.02 0.57 0.02 -0.55 8.60 8.62 1ttnA10 GLU 57 HA -0.03 0.10 0.70 -0.75 4.29 4.30 1ttnA10 GLU 57 HB2 -0.01 -0.19 0.19 -0.04 2.09 2.03 1ttnA10 GLU 57 HB3 -0.01 -0.08 0.03 -0.04 1.99 1.89 1ttnA10 GLU 57 HG2 0.02 0.17 0.22 -0.04 2.34 2.71 1ttnA10 GLU 57 HG3 0.02 -0.10 0.01 -0.04 2.34 2.23 1ttnA10 GLY 58 H -0.09 0.10 0.31 -0.55 8.43 8.20 1ttnA10 GLY 58 HA2 -0.54 0.21 0.30 -0.51 4.01 3.47 1ttnA10 GLY 58 HA3 -0.14 0.16 0.79 -0.51 4.01 4.31 1ttnA10 VAL 59 H 0.01 0.06 0.02 -0.55 8.24 7.78 1ttnA10 VAL 59 HA 0.09 0.12 0.68 -0.75 4.13 4.26 1ttnA10 VAL 59 HB -0.01 -0.04 0.00 -0.04 2.12 2.03 1ttnA10 VAL 59 HG13 -0.08 0.03 -0.40 -0.04 0.97 0.48 1ttnA10 VAL 59 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.79 1ttnA10 GLU 60 H 0.10 0.21 0.15 -0.55 8.60 8.51 1ttnA10 GLU 60 HA -0.10 0.18 0.51 -0.75 4.29 4.13 1ttnA10 GLU 60 HB2 -0.18 0.06 0.14 -0.04 2.09 2.06 1ttnA10 GLU 60 HB3 -0.18 -0.13 0.08 -0.04 1.99 1.72 1ttnA10 GLU 60 HG2 -0.50 0.03 0.07 -0.04 2.34 1.90 1ttnA10 GLU 60 HG3 -1.87 0.07 -0.03 -0.04 2.34 0.46 1ttnA10 PRO 61 HA -0.08 0.14 0.39 -0.51 4.44 4.37 1ttnA10 PRO 61 HB2 0.02 0.06 0.01 -0.04 2.28 2.32 1ttnA10 PRO 61 HB3 0.13 0.06 0.12 -0.04 2.02 2.29 1ttnA10 PRO 61 HG2 -0.06 -0.01 0.12 -0.04 2.03 2.04 1ttnA10 PRO 61 HG3 -0.05 0.09 0.10 -0.04 2.03 2.12 1ttnA10 PRO 61 HD2 -0.17 0.10 0.24 -0.04 3.68 3.82 1ttnA10 PRO 61 HD3 -0.07 0.20 0.17 -0.04 3.65 3.92 1ttnA10 GLY 62 H -0.08 0.12 -0.18 -0.55 8.43 7.74 1ttnA10 GLY 62 HA2 -0.07 0.10 0.35 -0.51 4.01 3.88 1ttnA10 GLY 62 HA3 -0.06 -0.03 0.29 -0.51 4.01 3.69 1ttnA10 SER 63 H -0.12 0.21 -0.44 -0.55 8.46 7.57 1ttnA10 SER 63 HA -0.10 0.08 0.85 -0.75 4.49 4.56 1ttnA10 SER 63 HB2 -0.05 -0.02 0.04 -0.04 3.95 3.88 1ttnA10 SER 63 HB3 -0.06 -0.12 0.17 -0.04 3.93 3.88 1ttnA10 GLN 64 H -0.32 0.31 -0.38 -0.55 8.47 7.54 1ttnA10 GLN 64 HA -0.43 0.04 0.62 -0.75 4.36 3.84 1ttnA10 GLN 64 HB2 -0.63 -0.04 0.10 -0.04 2.15 1.53 1ttnA10 GLN 64 HB3 -1.05 -0.10 0.06 -0.04 2.02 0.90 1ttnA10 GLN 64 HG2 -0.12 -0.09 -0.14 -0.04 2.40 2.01 1ttnA10 GLN 64 HG3 -0.14 0.05 -0.66 -0.04 2.39 1.59 1ttnA10 GLN 64 HE21 0.08 -0.09 0.06 -0.04 6.97 6.98 1ttnA10 GLN 64 HE22 0.10 0.31 0.21 -0.04 7.69 8.27 1ttnA10 ARG 65 H -0.32 0.56 -0.15 -0.55 8.46 7.99 1ttnA10 ARG 65 HA -0.44 0.13 0.64 -0.75 4.34 3.91 1ttnA10 ARG 65 HB2 0.04 -0.16 0.31 -0.04 1.90 2.06 1ttnA10 ARG 65 HB3 0.20 0.02 0.03 -0.04 1.80 2.00 1ttnA10 ARG 65 HG2 -0.08 0.02 -0.02 -0.04 1.67 1.55 1ttnA10 ARG 65 HG3 -0.11 0.17 -0.00 -0.04 1.67 1.69 1ttnA10 ARG 65 HD2 0.06 -0.08 -0.02 -0.04 3.22 3.14 1ttnA10 ARG 65 HD3 0.19 -0.02 -0.02 -0.04 3.22 3.33 1ttnA10 TRP 66 H -0.39 0.31 0.22 -0.55 7.97 7.56 1ttnA10 TRP 66 HA 0.03 0.31 0.57 -0.75 4.62 4.77 1ttnA10 TRP 66 HB2 -0.10 0.08 0.14 -0.04 3.23 3.31 1ttnA10 TRP 66 HB3 0.01 -0.12 0.03 -0.04 3.23 3.10 1ttnA10 TRP 66 HD1 0.03 -0.06 -0.09 -0.04 7.22 7.05 1ttnA10 TRP 66 HE1 -0.00 -0.01 -0.02 -0.04 10.20 10.13 1ttnA10 TRP 66 HE3 -0.10 -0.05 0.13 -0.04 7.59 7.53 1ttnA10 TRP 66 HZ2 -0.08 -0.06 0.06 -0.04 7.44 7.32 1ttnA10 TRP 66 HZ3 -0.04 -0.06 0.04 -0.04 7.13 7.03 1ttnA10 TRP 66 HH2 -0.06 -0.10 0.06 -0.04 7.19 7.05 1ttnA10 PHE 67 H 0.30 0.65 0.30 -0.55 8.34 9.04 1ttnA10 PHE 67 HA 0.17 0.42 0.92 -0.75 4.62 5.38 1ttnA10 PHE 67 HB2 0.07 0.00 -0.06 -0.04 3.15 3.11 1ttnA10 PHE 67 HB3 0.07 -0.10 -0.06 -0.04 3.06 2.93 1ttnA10 PHE 67 HD2 0.05 0.03 -0.40 -0.04 7.28 6.92 1ttnA10 PHE 67 HE2 0.03 -0.01 -0.14 -0.04 7.38 7.21 1ttnA10 PHE 67 HZ 0.03 -0.01 -0.09 -0.04 7.32 7.21 1ttnA10 PHE 68 H 0.32 0.58 0.28 -0.55 8.34 8.96 1ttnA10 PHE 68 HA 0.14 0.16 1.08 -0.75 4.62 5.26 1ttnA10 PHE 68 HB2 0.11 -0.07 0.07 -0.04 3.15 3.23 1ttnA10 PHE 68 HB3 0.09 0.04 0.11 -0.04 3.06 3.26 1ttnA10 PHE 68 HD2 0.11 -0.01 -0.17 -0.04 7.28 7.17 1ttnA10 PHE 68 HE2 0.23 -0.01 -0.06 -0.04 7.38 7.49 1ttnA10 PHE 68 HZ 0.46 0.03 -0.02 -0.04 7.32 7.75 1ttnA10 SER 69 H -0.43 0.23 0.19 -0.55 8.46 7.91 1ttnA10 SER 69 HA -0.14 0.06 0.34 -0.75 4.49 3.99 1ttnA10 SER 69 HB2 0.04 -0.04 -0.06 -0.04 3.95 3.85 1ttnA10 SER 69 HB3 0.22 0.21 -0.06 -0.04 3.93 4.27 1ttnA10 GLY 70 H 0.10 -0.06 -0.85 -0.55 8.43 7.08 1ttnA10 GLY 70 HA2 0.08 -0.01 0.14 -0.51 4.01 3.71 1ttnA10 GLY 70 HA3 0.05 0.17 0.64 -0.51 4.01 4.36 1ttnA10 ARG 71 H 0.27 0.12 -0.15 -0.55 8.46 8.15 1ttnA10 ARG 71 HA 0.27 0.20 0.72 -0.75 4.34 4.78 1ttnA10 ARG 71 HB2 0.17 0.02 -0.09 -0.04 1.90 1.97 1ttnA10 ARG 71 HB3 0.12 0.03 0.01 -0.04 1.80 1.93 1ttnA10 ARG 71 HG2 0.12 0.06 -0.06 -0.04 1.67 1.74 1ttnA10 ARG 71 HG3 0.13 -0.00 -0.70 -0.04 1.67 1.05 1ttnA10 ARG 71 HD2 0.11 -0.03 -0.11 -0.04 3.22 3.15 1ttnA10 ARG 71 HD3 0.08 -0.03 -0.06 -0.04 3.22 3.18 1ttnA10 PRO 72 HA -0.42 0.37 0.58 -0.51 4.44 4.46 1ttnA10 PRO 72 HB2 -0.02 -0.02 0.16 -0.04 2.28 2.35 1ttnA10 PRO 72 HB3 -0.14 0.06 0.12 -0.04 2.02 2.01 1ttnA10 PRO 72 HG2 0.04 0.02 0.10 -0.04 2.03 2.15 1ttnA10 PRO 72 HG3 0.05 0.05 0.08 -0.04 2.03 2.17 1ttnA10 PRO 72 HD2 0.08 0.09 0.17 -0.04 3.68 3.97 1ttnA10 PRO 72 HD3 0.18 0.16 0.22 -0.04 3.65 4.16 1ttnA10 LEU 73 H 0.04 0.31 0.05 -0.55 8.37 8.22 1ttnA10 LEU 73 HA 0.02 0.06 0.41 -0.75 4.35 4.08 1ttnA10 LEU 73 HB2 0.21 -0.09 0.05 -0.04 1.64 1.78 1ttnA10 LEU 73 HB3 0.15 0.00 -0.03 -0.04 1.64 1.73 1ttnA10 LEU 73 HD13 -0.13 -0.00 0.05 -0.04 0.93 0.81 1ttnA10 LEU 73 HD23 0.08 -0.02 -0.02 -0.04 0.89 0.88 1ttnA10 LEU 73 HG -0.11 0.13 0.05 -0.04 1.64 1.68 1ttnA10 THR 74 H -0.11 0.06 0.15 -0.55 8.28 7.83 1ttnA10 THR 74 HA -0.19 0.26 0.62 -0.75 4.39 4.33 1ttnA10 THR 74 HB -0.12 -0.12 -0.05 -0.04 4.32 3.99 1ttnA10 THR 74 HG23 -0.10 -0.01 0.06 -0.04 1.22 1.13 1ttnA10 ASP 75 H -0.23 0.27 0.12 -0.55 8.40 8.01 1ttnA10 ASP 75 HA -0.45 0.12 0.52 -0.75 4.63 4.06 1ttnA10 ASP 75 HB2 0.01 0.07 0.05 -0.04 2.71 2.79 1ttnA10 ASP 75 HB3 -0.08 -0.01 0.10 -0.04 2.70 2.67 1ttnA10 LYS 76 H -0.13 0.14 -0.42 -0.55 8.42 7.46 1ttnA10 LYS 76 HA -0.02 0.16 0.79 -0.75 4.32 4.49 1ttnA10 LYS 76 HB2 -0.06 0.04 0.06 -0.04 1.87 1.87 1ttnA10 LYS 76 HB3 -0.03 0.07 0.13 -0.04 1.79 1.92 1ttnA10 LYS 76 HG2 -0.08 0.11 -0.09 -0.04 1.46 1.36 1ttnA10 LYS 76 HG3 -0.08 -0.12 -0.30 -0.04 1.46 0.91 1ttnA10 LYS 76 HD2 -0.07 0.01 -0.02 -0.04 1.69 1.56 1ttnA10 LYS 76 HD3 -0.07 0.04 -0.01 -0.04 1.68 1.60 1ttnA10 LYS 76 HE2 -0.14 -0.02 -0.04 -0.04 2.99 2.75 1ttnA10 LYS 76 HE3 -0.11 0.04 -0.01 -0.04 2.99 2.87 1ttnA10 MET 77 H -0.09 0.07 -0.22 -0.55 8.47 7.68 1ttnA10 MET 77 HA -0.11 0.28 0.56 -0.75 4.52 4.50 1ttnA10 MET 77 HB2 -0.12 -0.06 0.04 -0.04 2.15 1.97 1ttnA10 MET 77 HB3 -0.20 0.09 0.05 -0.04 2.03 1.93 1ttnA10 MET 77 HG2 -0.15 -0.14 -0.18 -0.04 2.63 2.11 1ttnA10 MET 77 HG3 -0.16 0.11 0.06 -0.04 2.56 2.53 1ttnA10 MET 77 HE3 -0.10 -0.03 -0.27 -0.04 2.10 1.66 1ttnA10 LYS 78 H -0.02 -0.08 -0.02 -0.55 8.42 7.75 1ttnA10 LYS 78 HA -0.03 0.14 0.29 -0.75 4.32 3.97 1ttnA10 LYS 78 HB2 0.02 0.04 0.05 -0.04 1.87 1.94 1ttnA10 LYS 78 HB3 0.03 -0.05 0.11 -0.04 1.79 1.84 1ttnA10 LYS 78 HG2 0.02 -0.12 -0.22 -0.04 1.46 1.10 1ttnA10 LYS 78 HG3 0.06 0.07 -0.34 -0.04 1.46 1.21 1ttnA10 LYS 78 HD2 0.02 0.05 -0.14 -0.04 1.69 1.57 1ttnA10 LYS 78 HD3 0.03 0.04 -0.25 -0.04 1.68 1.45 1ttnA10 LYS 78 HE2 0.01 0.06 -0.25 -0.04 2.99 2.77 1ttnA10 LYS 78 HE3 -0.03 -0.07 0.10 -0.04 2.99 2.96 1ttnA10 PHE 79 H 0.13 0.13 -0.09 -0.55 8.34 7.95 1ttnA10 PHE 79 HA -0.05 0.04 0.35 -0.75 4.62 4.21 1ttnA10 PHE 79 HB2 -0.06 -0.00 0.26 -0.04 3.15 3.31 1ttnA10 PHE 79 HB3 -0.06 0.08 -0.02 -0.04 3.06 3.01 1ttnA10 PHE 79 HD2 -0.04 -0.08 -0.00 -0.04 7.28 7.11 1ttnA10 PHE 79 HE2 -0.03 0.01 0.01 -0.04 7.38 7.33 1ttnA10 PHE 79 HZ -0.03 0.02 0.00 -0.04 7.32 7.28 1ttnA10 GLU 80 H -0.04 -0.10 -1.20 -0.55 8.60 6.71 1ttnA10 GLU 80 HA -0.19 0.17 0.62 -0.75 4.29 4.14 1ttnA10 GLU 80 HB2 -0.06 0.10 0.07 -0.04 2.09 2.16 1ttnA10 GLU 80 HB3 -0.11 -0.06 0.14 -0.04 1.99 1.92 1ttnA10 GLU 80 HG2 -0.09 -0.06 -0.01 -0.04 2.34 2.14 1ttnA10 GLU 80 HG3 -0.13 0.02 -0.14 -0.04 2.34 2.06 1ttnA10 GLU 81 H -0.14 0.36 0.05 -0.55 8.60 8.32 1ttnA10 GLU 81 HA -0.19 0.21 0.75 -0.75 4.29 4.31 1ttnA10 GLU 81 HB2 -0.26 0.03 0.08 -0.04 2.09 1.90 1ttnA10 GLU 81 HB3 -0.20 -0.15 0.16 -0.04 1.99 1.76 1ttnA10 GLU 81 HG2 -0.51 0.00 -0.11 -0.04 2.34 1.69 1ttnA10 GLU 81 HG3 -0.34 -0.22 -0.18 -0.04 2.34 1.56 1ttnA10 LEU 82 H -0.12 0.29 0.18 -0.55 8.37 8.18 1ttnA10 LEU 82 HA -0.06 -0.05 0.32 -0.75 4.35 3.81 1ttnA10 LEU 82 HB2 -0.13 0.33 0.13 -0.04 1.64 1.94 1ttnA10 LEU 82 HB3 -0.08 -0.05 0.11 -0.04 1.64 1.59 1ttnA10 LEU 82 HG -0.25 0.01 -0.11 -0.04 1.64 1.24 1ttnA10 LEU 82 HD13 -0.16 0.04 0.01 -0.04 0.93 0.78 1ttnA10 LEU 82 HD23 -0.31 0.07 -0.84 -0.04 0.89 -0.23 1ttnA10 LYS 83 H -0.16 0.04 -1.03 -0.55 8.42 6.72 1ttnA10 LYS 83 HA -0.02 0.24 0.81 -0.75 4.32 4.59 1ttnA10 LYS 83 HB2 -0.21 -0.04 0.06 -0.04 1.87 1.64 1ttnA10 LYS 83 HB3 -0.00 0.02 0.14 -0.04 1.79 1.91 1ttnA10 LYS 83 HG2 -0.11 0.30 -0.06 -0.04 1.46 1.55 1ttnA10 LYS 83 HG3 -0.08 -0.01 0.02 -0.04 1.46 1.34 1ttnA10 LYS 83 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.59 1ttnA10 LYS 83 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 1ttnA10 LYS 83 HE2 -0.04 0.13 -0.63 -0.04 2.99 2.41 1ttnA10 LYS 83 HE3 -0.07 0.04 -0.20 -0.04 2.99 2.73 1ttnA10 ILE 84 H -0.04 0.07 -0.52 -0.55 8.25 7.21 1ttnA10 ILE 84 HA 0.27 0.21 0.87 -0.75 4.18 4.78 1ttnA10 ILE 84 HB 0.15 0.02 0.18 -0.04 1.89 2.20 1ttnA10 ILE 84 HG12 -0.04 -0.05 -0.07 -0.04 1.49 1.29 1ttnA10 ILE 84 HG13 0.04 0.07 -0.12 -0.04 1.21 1.16 1ttnA10 ILE 84 HG23 -0.28 0.02 -0.18 -0.04 0.93 0.45 1ttnA10 ILE 84 HD13 -0.02 -0.03 -0.08 -0.04 0.88 0.71 1ttnA10 PRO 85 HA 0.06 0.15 0.61 -0.51 4.44 4.75 1ttnA10 PRO 85 HB2 0.05 0.07 0.14 -0.04 2.28 2.50 1ttnA10 PRO 85 HB3 0.05 0.02 0.12 -0.04 2.02 2.16 1ttnA10 PRO 85 HG2 0.07 0.06 0.07 -0.04 2.03 2.19 1ttnA10 PRO 85 HG3 0.05 0.10 0.06 -0.04 2.03 2.20 1ttnA10 PRO 85 HD2 0.13 0.27 -0.48 -0.04 3.68 3.56 1ttnA10 PRO 85 HD3 0.04 0.07 -0.18 -0.04 3.65 3.55 1ttnA10 LYS 86 H 0.08 0.67 0.29 -0.55 8.42 8.91 1ttnA10 LYS 86 HA 0.06 -0.00 0.21 -0.75 4.32 3.84 1ttnA10 LYS 86 HB2 0.05 0.25 0.04 -0.04 1.87 2.17 1ttnA10 LYS 86 HB3 0.04 -0.01 0.12 -0.04 1.79 1.89 1ttnA10 LYS 86 HG2 0.04 -0.01 -0.11 -0.04 1.46 1.34 1ttnA10 LYS 86 HG3 0.05 -0.10 -0.38 -0.04 1.46 0.98 1ttnA10 LYS 86 HD2 0.03 -0.03 -0.10 -0.04 1.69 1.55 1ttnA10 LYS 86 HD3 0.03 0.04 -0.12 -0.04 1.68 1.60 1ttnA10 LYS 86 HE2 0.03 0.03 -0.02 -0.04 2.99 2.98 1ttnA10 LYS 86 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.92 1ttnA10 ASP 87 H 0.13 -0.12 -0.85 -0.55 8.40 7.01 1ttnA10 ASP 87 HA 0.02 0.23 0.83 -0.75 4.63 4.96 1ttnA10 ASP 87 HB2 0.20 -0.01 -0.10 -0.04 2.71 2.76 1ttnA10 ASP 87 HB3 0.04 -0.01 0.00 -0.04 2.70 2.69 1ttnA10 TYR 88 H 0.25 -0.08 -0.02 -0.55 8.29 7.89 1ttnA10 TYR 88 HA 0.11 0.26 0.94 -0.75 4.56 5.11 1ttnA10 TYR 88 HB2 0.10 -0.15 0.16 -0.04 3.06 3.13 1ttnA10 TYR 88 HB3 0.24 -0.02 -0.05 -0.04 2.98 3.11 1ttnA10 TYR 88 HD2 0.33 -0.03 0.02 -0.04 7.15 7.43 1ttnA10 TYR 88 HE2 0.21 0.01 0.00 -0.04 6.85 7.02 1ttnA10 VAL 89 H 0.20 0.24 0.15 -0.55 8.24 8.28 1ttnA10 VAL 89 HA 0.17 0.25 1.00 -0.75 4.13 4.80 1ttnA10 VAL 89 HB 0.07 0.00 -0.34 -0.04 2.12 1.81 1ttnA10 VAL 89 HG13 0.01 -0.00 -0.10 -0.04 0.97 0.83 1ttnA10 VAL 89 HG23 0.08 -0.01 -0.47 -0.04 0.95 0.51 1ttnA10 VAL 90 H 0.20 0.66 0.35 -0.55 8.24 8.89 1ttnA10 VAL 90 HA 0.35 0.11 0.89 -0.75 4.13 4.72 1ttnA10 VAL 90 HB 0.26 0.02 0.02 -0.04 2.12 2.37 1ttnA10 VAL 90 HG13 0.35 0.05 -0.04 -0.04 0.97 1.29 1ttnA10 VAL 90 HG23 0.26 -0.00 -0.08 -0.04 0.95 1.08 1ttnA10 GLN 91 H 0.23 0.23 0.18 -0.55 8.47 8.57 1ttnA10 GLN 91 HA 0.10 0.18 0.84 -0.75 4.36 4.73 1ttnA10 GLN 91 HB2 0.11 0.02 0.26 -0.04 2.15 2.50 1ttnA10 GLN 91 HB3 0.24 -0.07 0.19 -0.04 2.02 2.35 1ttnA10 GLN 91 HG2 0.05 0.09 0.17 -0.04 2.40 2.68 1ttnA10 GLN 91 HG3 0.03 -0.03 0.04 -0.04 2.39 2.38 1ttnA10 GLN 91 HE21 -0.08 -0.02 -0.06 -0.04 6.97 6.77 1ttnA10 GLN 91 HE22 -0.03 -0.01 -0.02 -0.04 7.69 7.59 1ttnA10 VAL 92 H 0.07 0.54 0.31 -0.55 8.24 8.61 1ttnA10 VAL 92 HA 0.01 0.43 0.76 -0.75 4.13 4.58 1ttnA10 VAL 92 HB -0.07 -0.00 -0.16 -0.04 2.12 1.85 1ttnA10 VAL 92 HG13 -0.06 0.02 -0.32 -0.04 0.97 0.57 1ttnA10 VAL 92 HG23 0.04 -0.04 -0.35 -0.04 0.95 0.55 1ttnA10 ILE 93 H -0.04 0.28 0.22 -0.55 8.25 8.16 1ttnA10 ILE 93 HA -0.00 0.05 1.08 -0.75 4.18 4.55 1ttnA10 ILE 93 HB 0.07 -0.01 0.12 -0.04 1.89 2.03 1ttnA10 ILE 93 HG12 0.03 0.04 -0.24 -0.04 1.49 1.28 1ttnA10 ILE 93 HG13 0.32 0.17 -0.13 -0.04 1.21 1.52 1ttnA10 ILE 93 HG23 -0.01 0.00 -0.04 -0.04 0.93 0.84 1ttnA10 ILE 93 HD13 -0.17 0.00 -0.08 -0.04 0.88 0.59 1ttnA10 VAL 94 H -0.03 0.11 0.13 -0.55 8.24 7.90 1ttnA10 VAL 94 HA -0.06 0.20 1.06 -0.75 4.13 4.58 1ttnA10 VAL 94 HB -0.06 0.23 0.06 -0.04 2.12 2.32 1ttnA10 VAL 94 HG13 -0.03 -0.03 0.08 -0.04 0.97 0.95 1ttnA10 VAL 94 HG23 -0.02 -0.02 -0.05 -0.04 0.95 0.81 1ttnA10 SER 95 H -0.03 0.26 0.00 -0.55 8.46 8.15 1ttnA10 SER 95 HA -0.02 0.24 0.87 -0.75 4.49 4.82 1ttnA10 SER 95 HB2 -0.01 0.03 0.05 -0.04 3.95 3.97 1ttnA10 SER 95 HB3 -0.01 0.02 0.18 -0.04 3.93 4.08 1ttnA10 GLN 96 H -0.02 0.11 -0.29 -0.55 8.47 7.72 1ttnA10 GLN 96 HA -0.01 0.21 0.88 -0.75 4.36 4.69 1ttnA10 GLN 96 HB2 -0.03 -0.02 0.10 -0.04 2.15 2.17 1ttnA10 GLN 96 HB3 -0.02 0.13 -0.02 -0.04 2.02 2.06 1ttnA10 GLN 96 HG2 -0.03 -0.14 -0.23 -0.04 2.40 1.96 1ttnA10 GLN 96 HG3 -0.04 -0.01 -0.24 -0.04 2.39 2.07 1ttnA10 GLN 96 HE21 -0.02 0.02 -0.60 -0.04 6.97 6.34 1ttnA10 GLN 96 HE22 -0.01 -0.00 -0.08 -0.04 7.69 7.56 1ttnA10 PRO 97 HA -0.01 0.09 0.32 -0.51 4.44 4.33 1ttnA10 PRO 97 HB2 -0.01 -0.03 0.05 -0.04 2.28 2.25 1ttnA10 PRO 97 HB3 -0.01 0.06 0.04 -0.04 2.02 2.07 1ttnA10 PRO 97 HG2 -0.01 0.05 0.03 -0.04 2.03 2.06 1ttnA10 PRO 97 HG3 -0.01 0.05 -0.01 -0.04 2.03 2.02 1ttnA10 PRO 97 HD2 -0.01 0.07 0.13 -0.04 3.68 3.83 1ttnA10 PRO 97 HD3 -0.01 0.25 -0.48 -0.04 3.65 3.36 1ttnA10 VAL 98 H -0.01 0.08 -0.16 -0.55 8.24 7.60 1ttnA10 VAL 98 HA -0.00 0.23 0.65 -0.75 4.13 4.26 1ttnA10 VAL 98 HB -0.00 -0.00 0.17 -0.04 2.12 2.25 1ttnA10 VAL 98 HG13 -0.00 -0.00 -0.21 -0.04 0.97 0.71 1ttnA10 VAL 98 HG23 -0.00 -0.02 -0.04 -0.04 0.95 0.85 1ttnA10 GLN 99 H -0.01 0.24 -0.19 -0.55 8.47 7.96 1ttnA10 GLN 99 HA -0.01 0.21 0.74 -0.75 4.36 4.55 1ttnA10 GLN 99 HB2 -0.01 -0.02 0.08 -0.04 2.15 2.16 1ttnA10 GLN 99 HB3 -0.01 0.08 -0.12 -0.04 2.02 1.93 1ttnA10 GLN 99 HG2 -0.01 -0.17 -0.07 -0.04 2.40 2.10 1ttnA10 GLN 99 HG3 -0.01 -0.01 -0.19 -0.04 2.39 2.13 1ttnA10 GLN 99 HE21 -0.01 0.02 -0.02 -0.04 6.97 6.93 1ttnA10 GLN 99 HE22 -0.01 -0.01 -0.08 -0.04 7.69 7.56 1ttnA10 ASN 100 H -0.01 0.20 0.03 -0.55 8.53 8.20 1ttnA10 ASN 100 HA -0.03 0.20 0.60 -0.75 4.76 4.78 1ttnA10 ASN 100 HB2 -0.02 0.04 -0.02 -0.04 2.88 2.84 1ttnA10 ASN 100 HB3 -0.01 0.03 0.08 -0.04 2.79 2.85 1ttnA10 ASN 100 HD21 -0.02 0.03 0.00 -0.04 7.03 7.00 1ttnA10 ASN 100 HD22 -0.02 -0.01 0.01 -0.04 7.74 7.68