============================================================================= 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. PHE 5 1.000 -41.811 -23.153 48.378 -99.200 -91.000 PHE 30 1.000 -35.994 -16.081 59.756 -99.200 -91.000 HIS 37 0.900 -39.883 -29.718 48.432 -99.200 -91.000 PHE 67 1.000 -18.359 -32.156 45.528 -99.200 -91.000 TYR 103 0.840 -20.851 -20.285 68.484 -99.200 -91.000 PHE 107 1.000 -18.321 -21.147 72.478 -99.200 -91.000 PHE 110 1.000 -26.789 -32.071 74.132 -99.200 -91.000 HIS 129 0.900 -41.174 -20.067 68.431 -99.200 -91.000 PHE 131 1.000 -34.729 -17.414 69.670 -99.200 -91.000 TYR 177 0.840 -16.139 -31.321 75.167 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ja7P1 SER 4 HA 0.00 -0.01 0.18 -0.75 4.49 3.91 2ja7P1 SER 4 HB2 0.00 0.04 -0.02 -0.04 3.95 3.93 2ja7P1 SER 4 HB3 -0.00 0.02 0.04 -0.04 3.93 3.95 2ja7P1 THR 5 H -0.00 0.02 -0.04 -0.55 8.28 7.71 2ja7P1 THR 5 HA 0.00 0.01 0.32 -0.75 4.39 3.98 2ja7P1 THR 5 HB 0.01 0.37 0.43 -0.04 4.32 5.09 2ja7P1 THR 5 HG23 0.02 -0.05 -0.17 -0.04 1.22 0.98 2ja7P1 SER 6 H -0.01 0.10 0.10 -0.55 8.46 8.10 2ja7P1 SER 6 HA -0.02 0.02 0.34 -0.75 4.49 4.08 2ja7P1 SER 6 HB2 -0.05 -0.03 -0.02 -0.04 3.95 3.82 2ja7P1 SER 6 HB3 -0.03 0.02 0.10 -0.04 3.93 3.98 2ja7P1 THR 7 H -0.02 0.13 0.11 -0.55 8.28 7.96 2ja7P1 THR 7 HA 0.05 0.21 1.05 -0.75 4.39 4.95 2ja7P1 THR 7 HB -0.00 0.10 -0.04 -0.04 4.32 4.33 2ja7P1 THR 7 HG23 -0.04 -0.02 0.12 -0.04 1.22 1.24 2ja7P1 PHE 8 H 0.19 0.20 0.05 -0.55 8.34 8.23 2ja7P1 PHE 8 HA 0.00 -0.03 0.19 -0.75 4.62 4.03 2ja7P1 PHE 8 HB2 0.01 -0.03 0.12 -0.04 3.15 3.21 2ja7P1 PHE 8 HB3 0.01 0.11 0.19 -0.04 3.06 3.32 2ja7P1 PHE 8 HD2 0.02 -0.02 -0.03 -0.04 7.28 7.22 2ja7P1 PHE 8 HE2 0.05 -0.01 -0.01 -0.04 7.38 7.37 2ja7P1 PHE 8 HZ 0.05 0.19 0.09 -0.04 7.32 7.60 2ja7P1 GLN 9 H -0.02 0.21 0.03 -0.55 8.47 8.15 2ja7P1 GLN 9 HA 0.03 -0.01 0.40 -0.75 4.36 4.03 2ja7P1 GLN 9 HB2 0.07 0.22 0.06 -0.04 2.15 2.45 2ja7P1 GLN 9 HB3 0.01 -0.02 0.04 -0.04 2.02 2.01 2ja7P1 GLN 9 HG2 0.01 0.01 -0.03 -0.04 2.40 2.35 2ja7P1 GLN 9 HG3 -0.00 -0.10 -0.26 -0.04 2.39 1.98 2ja7P1 GLN 9 HE21 0.01 0.01 -0.08 -0.04 6.97 6.86 2ja7P1 GLN 9 HE22 -0.00 -0.03 -0.51 -0.04 7.69 7.11 2ja7P1 THR 10 H -0.03 0.18 0.03 -0.55 8.28 7.90 2ja7P1 THR 10 HA -0.03 0.07 0.47 -0.75 4.39 4.14 2ja7P1 THR 10 HB -0.05 0.00 0.06 -0.04 4.32 4.29 2ja7P1 THR 10 HG23 -0.03 0.01 0.10 -0.04 1.22 1.26 2ja7P1 ARG 11 H -0.02 0.33 0.26 -0.55 8.46 8.47 2ja7P1 ARG 11 HA -0.01 0.06 0.50 -0.75 4.34 4.13 2ja7P1 ARG 11 HB2 -0.02 -0.03 0.16 -0.04 1.90 1.97 2ja7P1 ARG 11 HB3 -0.02 -0.00 -0.06 -0.04 1.80 1.68 2ja7P1 ARG 11 HG2 -0.02 0.17 -0.00 -0.04 1.67 1.78 2ja7P1 ARG 11 HG3 -0.03 -0.05 -0.01 -0.04 1.67 1.54 2ja7P1 ARG 11 HD2 -0.01 0.00 -0.13 -0.04 3.22 3.05 2ja7P1 ARG 11 HD3 -0.01 0.04 -0.07 -0.04 3.22 3.13 2ja7P1 ARG 12 H -0.01 0.19 0.15 -0.55 8.46 8.24 2ja7P1 ARG 12 HA -0.01 0.04 0.35 -0.75 4.34 3.96 2ja7P1 ARG 12 HB2 -0.01 0.06 0.12 -0.04 1.90 2.03 2ja7P1 ARG 12 HB3 -0.01 -0.02 0.19 -0.04 1.80 1.92 2ja7P1 ARG 12 HG2 -0.01 -0.04 -0.25 -0.04 1.67 1.33 2ja7P1 ARG 12 HG3 -0.01 0.02 -0.06 -0.04 1.67 1.58 2ja7P1 ARG 12 HD2 -0.01 0.02 0.01 -0.04 3.22 3.20 2ja7P1 ARG 12 HD3 -0.01 -0.01 0.01 -0.04 3.22 3.17 2ja7P1 ARG 13 H -0.01 0.27 0.25 -0.55 8.46 8.42 2ja7P1 ARG 13 HA -0.01 0.07 0.52 -0.75 4.34 4.16 2ja7P1 ARG 13 HB2 -0.01 -0.05 -0.01 -0.04 1.90 1.79 2ja7P1 ARG 13 HB3 -0.01 0.02 0.01 -0.04 1.80 1.77 2ja7P1 ARG 13 HG2 -0.01 -0.01 0.08 -0.04 1.67 1.68 2ja7P1 ARG 13 HG3 -0.02 0.21 0.21 -0.04 1.67 2.04 2ja7P1 ARG 13 HD2 -0.01 -0.04 0.18 -0.04 3.22 3.31 2ja7P1 ARG 13 HD3 -0.01 -0.05 0.14 -0.04 3.22 3.26 2ja7P1 ARG 14 H -0.01 0.27 0.07 -0.55 8.46 8.23 2ja7P1 ARG 14 HA -0.01 0.16 0.73 -0.75 4.34 4.47 2ja7P1 ARG 14 HB2 -0.01 0.01 0.20 -0.04 1.90 2.06 2ja7P1 ARG 14 HB3 -0.01 -0.00 0.13 -0.04 1.80 1.88 2ja7P1 ARG 14 HG2 -0.01 0.01 -0.05 -0.04 1.67 1.57 2ja7P1 ARG 14 HG3 -0.01 0.02 -0.21 -0.04 1.67 1.43 2ja7P1 ARG 14 HD2 -0.01 0.01 -0.01 -0.04 3.22 3.17 2ja7P1 ARG 14 HD3 -0.01 0.01 0.04 -0.04 3.22 3.22 2ja7P1 LEU 15 H -0.01 0.35 -0.13 -0.55 8.37 8.04 2ja7P1 LEU 15 HA -0.01 0.04 0.39 -0.75 4.35 4.01 2ja7P1 LEU 15 HB2 -0.01 -0.02 -0.14 -0.04 1.64 1.44 2ja7P1 LEU 15 HB3 -0.01 0.21 -0.01 -0.04 1.64 1.79 2ja7P1 LEU 15 HG -0.00 0.01 -0.24 -0.04 1.64 1.36 2ja7P1 LEU 15 HD13 -0.00 -0.01 0.00 -0.04 0.93 0.88 2ja7P1 LEU 15 HD23 -0.00 0.00 -0.03 -0.04 0.89 0.82 2ja7P1 LYS 16 H -0.01 0.50 0.19 -0.55 8.42 8.55 2ja7P1 LYS 16 HA -0.01 0.12 0.53 -0.75 4.32 4.21 2ja7P1 LYS 16 HB2 -0.00 0.01 0.10 -0.04 1.87 1.93 2ja7P1 LYS 16 HB3 -0.00 0.00 0.12 -0.04 1.79 1.87 2ja7P1 LYS 16 HG2 -0.01 -0.03 0.12 -0.04 1.46 1.51 2ja7P1 LYS 16 HG3 -0.00 0.00 0.13 -0.04 1.46 1.54 2ja7P1 LYS 16 HD2 -0.00 -0.03 0.09 -0.04 1.69 1.71 2ja7P1 LYS 16 HD3 -0.00 0.18 0.18 -0.04 1.68 2.00 2ja7P1 LYS 16 HE2 -0.00 -0.02 0.06 -0.04 2.99 2.99 2ja7P1 LYS 16 HE3 -0.00 -0.01 0.06 -0.04 2.99 3.00 2ja7P1 LYS 17 H -0.01 0.44 0.07 -0.55 8.42 8.37 2ja7P1 LYS 17 HA -0.01 0.05 0.41 -0.75 4.32 4.02 2ja7P1 LYS 17 HB2 -0.01 0.08 0.13 -0.04 1.87 2.03 2ja7P1 LYS 17 HB3 -0.01 -0.02 0.18 -0.04 1.79 1.91 2ja7P1 LYS 17 HG2 -0.01 0.00 -0.01 -0.04 1.46 1.41 2ja7P1 LYS 17 HG3 -0.01 -0.02 -0.05 -0.04 1.46 1.34 2ja7P1 LYS 17 HD2 -0.01 0.05 -0.10 -0.04 1.69 1.59 2ja7P1 LYS 17 HD3 -0.01 0.01 -0.07 -0.04 1.68 1.56 2ja7P1 LYS 17 HE2 -0.01 0.04 -0.23 -0.04 2.99 2.75 2ja7P1 LYS 17 HE3 -0.01 -0.03 -0.65 -0.04 2.99 2.26 2ja7P1 VAL 18 H -0.01 0.46 0.11 -0.55 8.24 8.25 2ja7P1 VAL 18 HA -0.01 0.02 0.69 -0.75 4.13 4.08 2ja7P1 VAL 18 HB -0.00 0.06 -0.21 -0.04 2.12 1.92 2ja7P1 VAL 18 HG13 -0.00 0.02 -0.00 -0.04 0.97 0.94 2ja7P1 VAL 18 HG23 -0.00 -0.00 -0.09 -0.04 0.95 0.81 2ja7P1 GLU 19 H -0.01 -0.34 0.18 -0.55 8.60 7.89 2ja7P1 GLU 19 HA -0.01 0.09 0.29 -0.75 4.29 3.91 2ja7P1 GLU 19 HB2 -0.01 -0.01 0.19 -0.04 2.09 2.22 2ja7P1 GLU 19 HB3 -0.01 0.33 0.07 -0.04 1.99 2.34 2ja7P1 GLU 19 HG2 -0.01 -0.05 -0.32 -0.04 2.34 1.92 2ja7P1 GLU 19 HG3 -0.01 0.03 -0.08 -0.04 2.34 2.25 2ja7P1 GLU 20 H -0.01 -0.24 0.13 -0.55 8.60 7.93 2ja7P1 GLU 20 HA -0.01 -0.01 0.37 -0.75 4.29 3.89 2ja7P1 GLU 20 HB2 -0.00 -0.01 0.20 -0.04 2.09 2.23 2ja7P1 GLU 20 HB3 -0.00 0.10 0.12 -0.04 1.99 2.17 2ja7P1 GLU 20 HG2 -0.01 -0.09 0.05 -0.04 2.34 2.25 2ja7P1 GLU 20 HG3 -0.01 0.05 0.05 -0.04 2.34 2.39 2ja7P1 GLU 21 H -0.01 0.14 0.42 -0.55 8.60 8.61 2ja7P1 GLU 21 HA -0.01 0.00 0.30 -0.75 4.29 3.83 2ja7P1 GLU 21 HB2 -0.01 -0.10 0.19 -0.04 2.09 2.13 2ja7P1 GLU 21 HB3 -0.01 0.05 0.19 -0.04 1.99 2.17 2ja7P1 GLU 21 HG2 -0.01 0.05 -0.21 -0.04 2.34 2.14 2ja7P1 GLU 21 HG3 -0.01 0.02 -0.04 -0.04 2.34 2.27 2ja7P1 GLU 22 H -0.01 0.05 0.13 -0.55 8.60 8.23 2ja7P1 GLU 22 HA -0.01 0.16 0.59 -0.75 4.29 4.28 2ja7P1 GLU 22 HB2 -0.01 -0.01 0.01 -0.04 2.09 2.05 2ja7P1 GLU 22 HB3 -0.01 0.03 0.06 -0.04 1.99 2.03 2ja7P1 GLU 22 HG2 -0.01 -0.03 -0.21 -0.04 2.34 2.05 2ja7P1 GLU 22 HG3 -0.01 0.02 -0.06 -0.04 2.34 2.25 2ja7P1 ASN 23 H -0.01 0.20 0.09 -0.55 8.53 8.27 2ja7P1 ASN 23 HA -0.03 0.35 0.87 -0.75 4.76 5.20 2ja7P1 ASN 23 HB2 -0.02 -0.01 0.19 -0.04 2.88 3.00 2ja7P1 ASN 23 HB3 -0.04 -0.03 0.06 -0.04 2.79 2.75 2ja7P1 ASN 23 HD21 0.01 0.04 -0.06 -0.04 7.03 6.98 2ja7P1 ASN 23 HD22 -0.00 -0.02 0.03 -0.04 7.74 7.70 2ja7P1 ALA 24 H -0.04 0.36 0.07 -0.55 8.40 8.24 2ja7P1 ALA 24 HA -0.02 0.23 0.74 -0.75 4.34 4.54 2ja7P1 ALA 24 HB3 -0.01 0.03 -0.11 -0.04 1.41 1.28 2ja7P1 ALA 25 H 0.02 0.27 0.02 -0.55 8.40 8.17 2ja7P1 ALA 25 HA 0.03 0.06 0.50 -0.75 4.34 4.17 2ja7P1 ALA 25 HB3 0.11 0.03 0.11 -0.04 1.41 1.63 2ja7P1 THR 26 H -0.02 0.75 -1.01 -0.55 8.28 7.45 2ja7P1 THR 26 HA 0.01 0.21 0.57 -0.75 4.39 4.42 2ja7P1 THR 26 HB -0.02 0.01 -0.05 -0.04 4.32 4.21 2ja7P1 THR 26 HG23 -0.01 0.02 0.03 -0.04 1.22 1.23 2ja7P1 LEU 27 H -0.01 -0.02 -0.26 -0.55 8.37 7.54 2ja7P1 LEU 27 HA -0.10 -0.03 0.25 -0.75 4.35 3.72 2ja7P1 LEU 27 HB2 -0.08 0.20 -0.12 -0.04 1.64 1.60 2ja7P1 LEU 27 HB3 -0.28 -0.03 0.19 -0.04 1.64 1.47 2ja7P1 LEU 27 HG 0.04 0.03 -0.22 -0.04 1.64 1.45 2ja7P1 LEU 27 HD13 0.00 0.01 -0.03 -0.04 0.93 0.87 2ja7P1 LEU 27 HD23 0.22 -0.03 -0.04 -0.04 0.89 0.99 2ja7P1 GLN 28 H -0.07 0.10 -0.41 -0.55 8.47 7.55 2ja7P1 GLN 28 HA -0.05 0.22 0.85 -0.75 4.36 4.62 2ja7P1 GLN 28 HB2 -0.03 -0.16 0.03 -0.04 2.15 1.95 2ja7P1 GLN 28 HB3 -0.03 0.07 0.10 -0.04 2.02 2.12 2ja7P1 GLN 28 HG2 -0.03 0.05 0.01 -0.04 2.40 2.39 2ja7P1 GLN 28 HG3 -0.03 0.13 -0.10 -0.04 2.39 2.35 2ja7P1 GLN 28 HE21 -0.01 -0.03 0.00 -0.04 6.97 6.89 2ja7P1 GLN 28 HE22 -0.02 0.03 -0.01 -0.04 7.69 7.65 2ja7P1 LEU 29 H -0.05 0.22 -0.15 -0.55 8.37 7.85 2ja7P1 LEU 29 HA -0.03 0.02 0.60 -0.75 4.35 4.18 2ja7P1 LEU 29 HB2 0.11 0.31 0.02 -0.04 1.64 2.04 2ja7P1 LEU 29 HB3 0.08 -0.07 0.04 -0.04 1.64 1.65 2ja7P1 LEU 29 HG -0.10 0.00 -0.10 -0.04 1.64 1.40 2ja7P1 LEU 29 HD13 -0.23 0.00 -0.05 -0.04 0.93 0.61 2ja7P1 LEU 29 HD23 -0.33 -0.03 -0.24 -0.04 0.89 0.25 2ja7P1 GLY 30 H 0.12 0.05 0.06 -0.55 8.43 8.12 2ja7P1 GLY 30 HA2 0.02 0.11 0.24 -0.51 4.01 3.87 2ja7P1 GLY 30 HA3 0.06 -0.00 0.26 -0.51 4.01 3.82 2ja7P1 GLN 31 H -0.03 0.14 0.10 -0.55 8.47 8.13 2ja7P1 GLN 31 HA -0.04 0.13 0.34 -0.75 4.36 4.03 2ja7P1 GLN 31 HB2 -0.07 -0.01 0.02 -0.04 2.15 2.05 2ja7P1 GLN 31 HB3 -0.05 0.05 0.05 -0.04 2.02 2.03 2ja7P1 GLN 31 HG2 -0.02 0.05 0.04 -0.04 2.40 2.42 2ja7P1 GLN 31 HG3 -0.03 -0.05 0.08 -0.04 2.39 2.35 2ja7P1 GLN 31 HE21 -0.02 0.01 -0.05 -0.04 6.97 6.87 2ja7P1 GLN 31 HE22 -0.02 0.02 -0.02 -0.04 7.69 7.63 2ja7P1 GLU 32 H -0.22 -0.01 -0.47 -0.55 8.60 7.36 2ja7P1 GLU 32 HA -0.31 0.14 0.37 -0.75 4.29 3.73 2ja7P1 GLU 32 HB2 -0.39 -0.08 0.01 -0.04 2.09 1.59 2ja7P1 GLU 32 HB3 -1.40 0.02 -0.07 -0.04 1.99 0.50 2ja7P1 GLU 32 HG2 -0.27 0.01 0.00 -0.04 2.34 2.04 2ja7P1 GLU 32 HG3 -0.32 0.04 0.07 -0.04 2.34 2.09 2ja7P1 PHE 33 H -0.13 0.55 -0.87 -0.55 8.34 7.34 2ja7P1 PHE 33 HA 0.02 0.16 0.59 -0.75 4.62 4.64 2ja7P1 PHE 33 HB2 -0.02 -0.07 -0.06 -0.04 3.15 2.96 2ja7P1 PHE 33 HB3 0.01 -0.05 0.05 -0.04 3.06 3.03 2ja7P1 PHE 33 HD2 -0.00 -0.06 -0.08 -0.04 7.28 7.10 2ja7P1 PHE 33 HE2 0.00 -0.02 -0.07 -0.04 7.38 7.25 2ja7P1 PHE 33 HZ 0.00 -0.00 -0.07 -0.04 7.32 7.21 2ja7P1 GLN 34 H 0.01 0.22 -0.10 -0.55 8.47 8.05 2ja7P1 GLN 34 HA 0.04 0.14 0.57 -0.75 4.36 4.35 2ja7P1 GLN 34 HB2 0.02 0.06 -0.13 -0.04 2.15 2.06 2ja7P1 GLN 34 HB3 0.02 -0.10 0.14 -0.04 2.02 2.04 2ja7P1 GLN 34 HG2 -0.01 0.01 0.03 -0.04 2.40 2.39 2ja7P1 GLN 34 HG3 -0.02 0.30 0.12 -0.04 2.39 2.75 2ja7P1 GLN 34 HE21 -0.01 -0.01 0.03 -0.04 6.97 6.94 2ja7P1 GLN 34 HE22 -0.01 -0.01 0.03 -0.04 7.69 7.65 2ja7P1 LEU 35 H 0.05 0.18 0.17 -0.55 8.37 8.22 2ja7P1 LEU 35 HA 0.16 0.01 0.45 -0.75 4.35 4.23 2ja7P1 LEU 35 HB2 0.11 0.02 0.17 -0.04 1.64 1.90 2ja7P1 LEU 35 HB3 0.07 0.04 0.09 -0.04 1.64 1.80 2ja7P1 LEU 35 HG 0.09 0.01 0.09 -0.04 1.64 1.79 2ja7P1 LEU 35 HD13 0.30 -0.03 0.14 -0.04 0.93 1.30 2ja7P1 LEU 35 HD23 0.13 0.02 0.04 -0.04 0.89 1.04 2ja7P1 LYS 36 H 0.04 -0.00 -0.35 -0.55 8.42 7.55 2ja7P1 LYS 36 HA 0.03 0.25 0.87 -0.75 4.32 4.72 2ja7P1 LYS 36 HB2 0.02 -0.01 0.18 -0.04 1.87 2.01 2ja7P1 LYS 36 HB3 0.02 0.05 0.05 -0.04 1.79 1.87 2ja7P1 LYS 36 HG2 0.02 0.05 -0.13 -0.04 1.46 1.36 2ja7P1 LYS 36 HG3 0.02 -0.12 -0.02 -0.04 1.46 1.30 2ja7P1 LYS 36 HD2 0.01 -0.00 0.02 -0.04 1.69 1.68 2ja7P1 LYS 36 HD3 0.01 0.03 -0.01 -0.04 1.68 1.67 2ja7P1 LYS 36 HE2 0.02 0.02 -0.02 -0.04 2.99 2.96 2ja7P1 LYS 36 HE3 0.01 -0.02 0.00 -0.04 2.99 2.94 2ja7P1 GLN 37 H 0.03 0.39 0.01 -0.55 8.47 8.35 2ja7P1 GLN 37 HA 0.01 0.19 0.85 -0.75 4.36 4.66 2ja7P1 GLN 37 HB2 0.02 -0.04 0.06 -0.04 2.15 2.14 2ja7P1 GLN 37 HB3 0.03 0.01 -0.11 -0.04 2.02 1.90 2ja7P1 GLN 37 HG2 0.04 0.07 -0.22 -0.04 2.40 2.24 2ja7P1 GLN 37 HG3 0.01 -0.01 -0.49 -0.04 2.39 1.86 2ja7P1 GLN 37 HE21 0.05 -0.04 -0.11 -0.04 6.97 6.82 2ja7P1 GLN 37 HE22 0.01 -0.01 -0.27 -0.04 7.69 7.38 2ja7P1 ILE 38 H 0.02 0.17 0.10 -0.55 8.25 7.99 2ja7P1 ILE 38 HA -0.05 0.21 1.18 -0.75 4.18 4.77 2ja7P1 ILE 38 HB 0.12 0.14 0.13 -0.04 1.89 2.24 2ja7P1 ILE 38 HG12 0.01 0.06 -0.21 -0.04 1.49 1.31 2ja7P1 ILE 38 HG13 0.03 -0.13 -0.28 -0.04 1.21 0.79 2ja7P1 ILE 38 HG23 -0.05 0.11 -0.16 -0.04 0.93 0.79 2ja7P1 ILE 38 HD13 0.07 0.00 -0.03 -0.04 0.88 0.89 2ja7P1 ASN 39 H -0.15 0.48 0.05 -0.55 8.53 8.37 2ja7P1 ASN 39 HA -0.22 0.08 0.45 -0.75 4.76 4.32 2ja7P1 ASN 39 HB2 -0.10 0.10 -0.12 -0.04 2.88 2.72 2ja7P1 ASN 39 HB3 -0.17 -0.02 -0.07 -0.04 2.79 2.49 2ja7P1 ASN 39 HD21 0.12 0.02 0.03 -0.04 7.03 7.16 2ja7P1 ASN 39 HD22 -0.01 0.09 0.03 -0.04 7.74 7.80 2ja7P1 HIS 40 H -0.15 0.15 0.14 -0.55 8.41 8.00 2ja7P1 HIS 40 HA -1.70 0.14 0.35 -0.75 4.63 2.66 2ja7P1 HIS 40 HB2 0.10 0.04 0.06 -0.04 3.26 3.43 2ja7P1 HIS 40 HB3 -0.14 0.01 0.14 -0.04 3.20 3.18 2ja7P1 HIS 40 HD2 -0.10 -0.02 0.09 -0.04 6.97 6.90 2ja7P1 HIS 40 HE1 0.00 0.03 -0.03 -0.04 7.75 7.70 2ja7P1 GLN 41 H -0.91 0.05 -0.14 -0.55 8.47 6.92 2ja7P1 GLN 41 HA -0.37 0.09 0.37 -0.75 4.36 3.70 2ja7P1 GLN 41 HB2 -0.29 -0.09 0.00 -0.04 2.15 1.73 2ja7P1 GLN 41 HB3 -0.20 0.05 0.06 -0.04 2.02 1.90 2ja7P1 GLN 41 HG2 -0.29 0.05 0.04 -0.04 2.40 2.16 2ja7P1 GLN 41 HG3 -1.14 -0.07 0.05 -0.04 2.39 1.19 2ja7P1 GLN 41 HE21 -0.00 0.03 0.00 -0.04 6.97 6.96 2ja7P1 GLN 41 HE22 0.04 -0.04 0.01 -0.04 7.69 7.67 2ja7P1 GLY 42 H -0.29 0.33 -0.76 -0.55 8.43 7.17 2ja7P1 GLY 42 HA2 0.04 0.07 0.25 -0.51 4.01 3.86 2ja7P1 GLY 42 HA3 0.00 0.12 0.75 -0.51 4.01 4.37 2ja7P1 GLU 43 H -0.14 -0.12 -0.22 -0.55 8.60 7.58 2ja7P1 GLU 43 HA -0.04 0.13 0.46 -0.75 4.29 4.08 2ja7P1 GLU 43 HB2 -0.09 -0.03 -0.00 -0.04 2.09 1.93 2ja7P1 GLU 43 HB3 -0.05 -0.00 0.17 -0.04 1.99 2.07 2ja7P1 GLU 43 HG2 -0.05 0.05 -0.06 -0.04 2.34 2.24 2ja7P1 GLU 43 HG3 -0.10 -0.08 -0.12 -0.04 2.34 2.00 2ja7P1 GLU 44 H -0.03 0.09 0.18 -0.55 8.60 8.29 2ja7P1 GLU 44 HA -0.02 0.29 0.81 -0.75 4.29 4.61 2ja7P1 GLU 44 HB2 -0.01 -0.05 0.03 -0.04 2.09 2.02 2ja7P1 GLU 44 HB3 -0.00 0.02 0.08 -0.04 1.99 2.05 2ja7P1 GLU 44 HG2 -0.00 0.09 -0.07 -0.04 2.34 2.32 2ja7P1 GLU 44 HG3 -0.01 -0.06 -0.01 -0.04 2.34 2.22 2ja7P1 GLU 45 H -0.01 0.44 0.19 -0.55 8.60 8.68 2ja7P1 GLU 45 HA -0.01 -0.00 0.54 -0.75 4.29 4.07 2ja7P1 GLU 45 HB2 -0.03 0.01 -0.64 -0.04 2.09 1.38 2ja7P1 GLU 45 HB3 -0.02 -0.00 -0.25 -0.04 1.99 1.68 2ja7P1 GLU 45 HG2 -0.00 0.16 -0.02 -0.04 2.34 2.44 2ja7P1 GLU 45 HG3 -0.01 -0.02 0.08 -0.04 2.34 2.34 2ja7P1 GLU 46 H 0.01 0.07 0.16 -0.55 8.60 8.29 2ja7P1 GLU 46 HA 0.03 0.24 0.67 -0.75 4.29 4.49 2ja7P1 GLU 46 HB2 0.01 -0.05 0.19 -0.04 2.09 2.20 2ja7P1 GLU 46 HB3 0.01 0.08 0.08 -0.04 1.99 2.12 2ja7P1 GLU 46 HG2 0.03 0.01 0.13 -0.04 2.34 2.47 2ja7P1 GLU 46 HG3 0.02 -0.05 0.08 -0.04 2.34 2.35 2ja7P1 LEU 47 H 0.07 0.16 0.27 -0.55 8.37 8.32 2ja7P1 LEU 47 HA 0.08 0.05 0.27 -0.75 4.35 3.99 2ja7P1 LEU 47 HB2 0.13 0.08 0.11 -0.04 1.64 1.92 2ja7P1 LEU 47 HB3 0.07 -0.13 -0.10 -0.04 1.64 1.44 2ja7P1 LEU 47 HG 0.20 -0.04 -0.17 -0.04 1.64 1.59 2ja7P1 LEU 47 HD13 0.11 -0.20 -0.14 -0.04 0.93 0.66 2ja7P1 LEU 47 HD23 0.23 0.15 -0.09 -0.04 0.89 1.14 2ja7P1 ILE 48 H 0.07 0.16 0.02 -0.55 8.25 7.95 2ja7P1 ILE 48 HA 0.01 0.23 0.95 -0.75 4.18 4.62 2ja7P1 ILE 48 HB 0.04 -0.05 0.10 -0.04 1.89 1.94 2ja7P1 ILE 48 HG12 0.02 0.05 -0.34 -0.04 1.49 1.19 2ja7P1 ILE 48 HG13 0.02 -0.06 -0.09 -0.04 1.21 1.04 2ja7P1 ILE 48 HG23 0.01 -0.01 -0.21 -0.04 0.93 0.68 2ja7P1 ILE 48 HD13 0.00 0.05 -0.02 -0.04 0.88 0.87 2ja7P1 ALA 49 H -0.02 0.24 -0.08 -0.55 8.40 8.00 2ja7P1 ALA 49 HA 0.02 0.09 0.66 -0.75 4.34 4.36 2ja7P1 ALA 49 HB3 -0.03 -0.01 -0.28 -0.04 1.41 1.05 2ja7P1 LEU 50 H 0.01 0.18 0.07 -0.55 8.37 8.08 2ja7P1 LEU 50 HA -0.01 0.25 0.97 -0.75 4.35 4.80 2ja7P1 LEU 50 HB2 0.01 -0.02 0.04 -0.04 1.64 1.62 2ja7P1 LEU 50 HB3 0.01 -0.05 -0.19 -0.04 1.64 1.37 2ja7P1 LEU 50 HG 0.01 0.04 -0.23 -0.04 1.64 1.42 2ja7P1 LEU 50 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.77 2ja7P1 LEU 50 HD23 -0.01 0.05 -0.21 -0.04 0.89 0.68 2ja7P1 ASN 51 H -0.02 0.22 0.13 -0.55 8.53 8.33 2ja7P1 ASN 51 HA -0.00 0.08 0.66 -0.75 4.76 4.75 2ja7P1 ASN 51 HB2 0.03 0.03 -0.08 -0.04 2.88 2.81 2ja7P1 ASN 51 HB3 -0.03 0.04 0.12 -0.04 2.79 2.89 2ja7P1 ASN 51 HD21 -0.09 0.00 0.01 -0.04 7.03 6.91 2ja7P1 ASN 51 HD22 -0.05 0.10 0.04 -0.04 7.74 7.79 2ja7P1 LEU 52 H 0.05 0.18 0.11 -0.55 8.37 8.16 2ja7P1 LEU 52 HA 0.08 -0.04 0.36 -0.75 4.35 3.99 2ja7P1 LEU 52 HB2 0.06 0.15 0.03 -0.04 1.64 1.84 2ja7P1 LEU 52 HB3 0.05 0.02 0.11 -0.04 1.64 1.77 2ja7P1 LEU 52 HG 0.10 -0.03 0.11 -0.04 1.64 1.78 2ja7P1 LEU 52 HD13 0.04 0.05 0.01 -0.04 0.93 0.98 2ja7P1 LEU 52 HD23 0.26 -0.01 0.03 -0.04 0.89 1.13 2ja7P1 SER 53 H 0.08 0.27 0.24 -0.55 8.46 8.50 2ja7P1 SER 53 HA 0.10 0.11 0.47 -0.75 4.49 4.42 2ja7P1 SER 53 HB2 0.24 0.11 0.23 -0.04 3.95 4.49 2ja7P1 SER 53 HB3 0.13 -0.10 0.26 -0.04 3.93 4.17 2ja7P1 GLU 54 H 0.06 0.94 -0.86 -0.55 8.60 8.20 2ja7P1 GLU 54 HA 0.00 0.10 0.70 -0.75 4.29 4.34 2ja7P1 GLU 54 HB2 -0.05 0.01 0.10 -0.04 2.09 2.11 2ja7P1 GLU 54 HB3 -0.00 0.34 0.20 -0.04 1.99 2.49 2ja7P1 GLU 54 HG2 -0.01 -0.07 -0.14 -0.04 2.34 2.07 2ja7P1 GLU 54 HG3 -0.04 -0.02 0.06 -0.04 2.34 2.30 2ja7P1 ALA 55 H 0.04 0.09 -0.17 -0.55 8.40 7.82 2ja7P1 ALA 55 HA 0.02 0.15 0.49 -0.75 4.34 4.24 2ja7P1 ALA 55 HB3 0.04 0.01 -0.06 -0.04 1.41 1.36 2ja7P1 ARG 56 H 0.06 -0.01 -0.14 -0.55 8.46 7.81 2ja7P1 ARG 56 HA 0.04 0.05 0.24 -0.75 4.34 3.92 2ja7P1 ARG 56 HB2 0.07 -0.04 0.08 -0.04 1.90 1.97 2ja7P1 ARG 56 HB3 0.06 0.15 -0.02 -0.04 1.80 1.95 2ja7P1 ARG 56 HG2 0.04 -0.00 -0.12 -0.04 1.67 1.55 2ja7P1 ARG 56 HG3 0.05 -0.01 -0.06 -0.04 1.67 1.60 2ja7P1 ARG 56 HD2 0.05 0.02 0.04 -0.04 3.22 3.28 2ja7P1 ARG 56 HD3 0.06 0.13 0.05 -0.04 3.22 3.42 2ja7P1 LEU 57 H 0.03 0.10 -1.04 -0.55 8.37 6.92 2ja7P1 LEU 57 HA 0.02 0.08 0.41 -0.75 4.35 4.11 2ja7P1 LEU 57 HB2 0.01 0.13 -0.03 -0.04 1.64 1.71 2ja7P1 LEU 57 HB3 0.01 -0.04 -0.05 -0.04 1.64 1.52 2ja7P1 LEU 57 HG 0.05 0.33 -0.01 -0.04 1.64 1.97 2ja7P1 LEU 57 HD13 0.02 -0.03 -0.17 -0.04 0.93 0.70 2ja7P1 LEU 57 HD23 0.03 -0.01 -0.13 -0.04 0.89 0.75 2ja7P1 VAL 58 H 0.01 0.30 -0.14 -0.55 8.24 7.86 2ja7P1 VAL 58 HA 0.00 0.05 0.41 -0.75 4.13 3.84 2ja7P1 VAL 58 HB 0.01 -0.04 0.12 -0.04 2.12 2.17 2ja7P1 VAL 58 HG13 0.00 -0.01 -0.08 -0.04 0.97 0.85 2ja7P1 VAL 58 HG23 0.00 0.12 0.09 -0.04 0.95 1.11 2ja7P1 ILE 59 H 0.01 0.57 -0.12 -0.55 8.25 8.17 2ja7P1 ILE 59 HA 0.00 0.02 0.33 -0.75 4.18 3.78 2ja7P1 ILE 59 HB 0.02 0.06 0.03 -0.04 1.89 1.95 2ja7P1 ILE 59 HG12 0.01 -0.00 -0.04 -0.04 1.49 1.42 2ja7P1 ILE 59 HG13 0.02 0.01 -0.06 -0.04 1.21 1.13 2ja7P1 ILE 59 HG23 0.00 0.00 -0.19 -0.04 0.93 0.70 2ja7P1 ILE 59 HD13 0.02 -0.01 -0.13 -0.04 0.88 0.72 2ja7P1 LYS 60 H 0.01 0.50 -0.10 -0.55 8.42 8.28 2ja7P1 LYS 60 HA -0.00 -0.03 0.28 -0.75 4.32 3.81 2ja7P1 LYS 60 HB2 0.01 -0.01 0.11 -0.04 1.87 1.94 2ja7P1 LYS 60 HB3 0.01 0.11 0.16 -0.04 1.79 2.03 2ja7P1 LYS 60 HG2 0.00 0.01 -0.43 -0.04 1.46 1.01 2ja7P1 LYS 60 HG3 0.00 -0.04 -0.04 -0.04 1.46 1.34 2ja7P1 LYS 60 HD2 0.01 0.01 -0.03 -0.04 1.69 1.64 2ja7P1 LYS 60 HD3 0.00 -0.03 -0.05 -0.04 1.68 1.56 2ja7P1 LYS 60 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.91 2ja7P1 LYS 60 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 2ja7P1 GLU 61 H 0.00 0.64 -0.39 -0.55 8.60 8.30 2ja7P1 GLU 61 HA -0.00 -0.06 0.33 -0.75 4.29 3.80 2ja7P1 GLU 61 HB2 0.00 0.35 0.21 -0.04 2.09 2.61 2ja7P1 GLU 61 HB3 -0.00 0.05 0.05 -0.04 1.99 2.04 2ja7P1 GLU 61 HG2 -0.00 -0.06 0.10 -0.04 2.34 2.34 2ja7P1 GLU 61 HG3 0.00 -0.04 0.06 -0.04 2.34 2.31 2ja7P1 ALA 62 H -0.01 0.62 -0.15 -0.55 8.40 8.32 2ja7P1 ALA 62 HA -0.01 0.06 0.75 -0.75 4.34 4.38 2ja7P1 ALA 62 HB3 -0.01 -0.00 0.07 -0.04 1.41 1.42 2ja7P1 LEU 63 H -0.02 0.67 0.11 -0.55 8.37 8.58 2ja7P1 LEU 63 HA -0.07 0.02 0.34 -0.75 4.35 3.88 2ja7P1 LEU 63 HB2 -0.02 0.08 -0.04 -0.04 1.64 1.62 2ja7P1 LEU 63 HB3 -0.03 0.02 -0.11 -0.04 1.64 1.47 2ja7P1 LEU 63 HG -0.02 -0.08 -0.12 -0.04 1.64 1.38 2ja7P1 LEU 63 HD13 -0.06 -0.01 -0.09 -0.04 0.93 0.73 2ja7P1 LEU 63 HD23 -0.04 -0.00 -0.03 -0.04 0.89 0.77 2ja7P1 VAL 64 H -0.02 0.42 -0.66 -0.55 8.24 7.43 2ja7P1 VAL 64 HA -0.02 0.07 0.50 -0.75 4.13 3.92 2ja7P1 VAL 64 HB -0.01 0.09 0.10 -0.04 2.12 2.27 2ja7P1 VAL 64 HG13 -0.00 -0.02 -0.14 -0.04 0.97 0.76 2ja7P1 VAL 64 HG23 -0.01 0.06 -0.05 -0.04 0.95 0.91 2ja7P1 GLU 65 H -0.01 0.47 0.05 -0.55 8.60 8.56 2ja7P1 GLU 65 HA 0.00 -0.05 0.34 -0.75 4.29 3.83 2ja7P1 GLU 65 HB2 -0.00 0.22 0.29 -0.04 2.09 2.55 2ja7P1 GLU 65 HB3 0.00 -0.04 0.16 -0.04 1.99 2.08 2ja7P1 GLU 65 HG2 0.01 -0.06 0.12 -0.04 2.34 2.36 2ja7P1 GLU 65 HG3 0.00 -0.02 0.10 -0.04 2.34 2.38 2ja7P1 ARG 66 H -0.04 0.16 -1.43 -0.55 8.46 6.59 2ja7P1 ARG 66 HA -0.02 0.04 0.66 -0.75 4.34 4.27 2ja7P1 ARG 66 HB2 -0.10 0.05 -0.04 -0.04 1.90 1.77 2ja7P1 ARG 66 HB3 -0.17 0.14 0.10 -0.04 1.80 1.83 2ja7P1 ARG 66 HG2 -0.66 0.01 -0.15 -0.04 1.67 0.82 2ja7P1 ARG 66 HG3 -0.18 -0.07 -0.00 -0.04 1.67 1.38 2ja7P1 ARG 66 HD2 -0.29 0.04 0.08 -0.04 3.22 3.00 2ja7P1 ARG 66 HD3 -0.44 0.04 0.05 -0.04 3.22 2.83 2ja7P1 ARG 67 H -0.08 0.41 0.13 -0.55 8.46 8.37 2ja7P1 ARG 67 HA -0.01 0.06 0.30 -0.75 4.34 3.94 2ja7P1 ARG 67 HB2 -0.04 0.07 0.20 -0.04 1.90 2.09 2ja7P1 ARG 67 HB3 -0.01 0.05 0.16 -0.04 1.80 1.97 2ja7P1 ARG 67 HG2 0.05 -0.03 -0.04 -0.04 1.67 1.61 2ja7P1 ARG 67 HG3 0.03 0.03 0.05 -0.04 1.67 1.74 2ja7P1 ARG 67 HD2 0.01 -0.02 0.04 -0.04 3.22 3.20 2ja7P1 ARG 67 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.16 2ja7P1 ARG 68 H 0.02 0.24 -0.62 -0.55 8.46 7.55 2ja7P1 ARG 68 HA 0.05 0.10 0.48 -0.75 4.34 4.21 2ja7P1 ARG 68 HB2 0.03 0.06 0.06 -0.04 1.90 2.00 2ja7P1 ARG 68 HB3 0.03 -0.03 -0.02 -0.04 1.80 1.74 2ja7P1 ARG 68 HG2 0.02 -0.00 -0.03 -0.04 1.67 1.61 2ja7P1 ARG 68 HG3 0.01 0.08 -0.09 -0.04 1.67 1.63 2ja7P1 ARG 68 HD2 0.01 0.01 -0.01 -0.04 3.22 3.19 2ja7P1 ARG 68 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.16 2ja7P1 ALA 69 H 0.07 0.40 -0.00 -0.55 8.40 8.32 2ja7P1 ALA 69 HA 0.06 -0.06 0.51 -0.75 4.34 4.10 2ja7P1 ALA 69 HB3 0.07 0.03 0.20 -0.04 1.41 1.67 2ja7P1 PHE 70 H 0.20 0.16 -1.47 -0.55 8.34 6.68 2ja7P1 PHE 70 HA 0.00 0.08 0.69 -0.75 4.62 4.64 2ja7P1 PHE 70 HB2 0.00 0.28 -0.08 -0.04 3.15 3.32 2ja7P1 PHE 70 HB3 0.00 0.05 0.05 -0.04 3.06 3.11 2ja7P1 PHE 70 HD2 0.00 0.03 -0.03 -0.04 7.28 7.24 2ja7P1 PHE 70 HE2 0.00 -0.01 0.01 -0.04 7.38 7.34 2ja7P1 PHE 70 HZ 0.00 -0.05 -0.01 -0.04 7.32 7.22 2ja7P1 LYS 71 H 0.08 0.41 -0.00 -0.55 8.42 8.36 2ja7P1 LYS 71 HA 0.01 0.11 0.87 -0.75 4.32 4.56 2ja7P1 LYS 71 HB2 0.05 0.13 0.17 -0.04 1.87 2.18 2ja7P1 LYS 71 HB3 0.03 -0.08 0.13 -0.04 1.79 1.82 2ja7P1 LYS 71 HG2 0.05 -0.00 0.09 -0.04 1.46 1.56 2ja7P1 LYS 71 HG3 0.10 0.19 -0.21 -0.04 1.46 1.50 2ja7P1 LYS 71 HD2 0.04 -0.01 0.00 -0.04 1.69 1.68 2ja7P1 LYS 71 HD3 0.03 -0.07 0.03 -0.04 1.68 1.62 2ja7P1 LYS 71 HE2 0.04 -0.01 0.02 -0.04 2.99 3.00 2ja7P1 LYS 71 HE3 0.06 0.06 0.00 -0.04 2.99 3.08 2ja7P1 ARG 72 H 0.03 0.15 0.14 -0.55 8.46 8.23 2ja7P1 ARG 72 HA 0.01 0.09 0.51 -0.75 4.34 4.20 2ja7P1 ARG 72 HB2 0.01 0.03 0.10 -0.04 1.90 2.01 2ja7P1 ARG 72 HB3 0.01 0.01 0.06 -0.04 1.80 1.84 2ja7P1 ARG 72 HG2 0.02 0.01 0.03 -0.04 1.67 1.69 2ja7P1 ARG 72 HG3 0.03 0.10 0.06 -0.04 1.67 1.81 2ja7P1 ARG 72 HD2 0.03 0.02 0.09 -0.04 3.22 3.31 2ja7P1 ARG 72 HD3 0.02 0.00 0.03 -0.04 3.22 3.23 2ja7P1 SER 73 H -0.02 0.09 -0.20 -0.55 8.46 7.79 2ja7P1 SER 73 HA -0.03 0.07 0.53 -0.75 4.49 4.31 2ja7P1 SER 73 HB2 -0.07 0.06 -0.01 -0.04 3.95 3.88 2ja7P1 SER 73 HB3 -0.04 -0.01 0.03 -0.04 3.93 3.86 2ja7P1 GLN 74 H -0.04 -0.10 -0.51 -0.55 8.47 7.27 2ja7P1 GLN 74 HA -0.07 0.10 0.28 -0.75 4.36 3.92 2ja7P1 GLN 74 HB2 -0.02 0.20 0.30 -0.04 2.15 2.58 2ja7P1 GLN 74 HB3 -0.01 0.04 0.14 -0.04 2.02 2.16 2ja7P1 GLN 74 HG2 0.00 -0.03 0.04 -0.04 2.40 2.37 2ja7P1 GLN 74 HG3 -0.01 -0.01 -0.15 -0.04 2.39 2.18 2ja7P1 GLN 74 HE21 -0.01 -0.02 0.02 -0.04 6.97 6.92 2ja7P1 GLN 74 HE22 -0.01 -0.04 0.00 -0.04 7.69 7.61 2ja7P1 LYS 75 H -0.01 0.23 -0.33 -0.55 8.42 7.76 2ja7P1 LYS 75 HA -0.01 -0.01 0.32 -0.75 4.32 3.87 2ja7P1 LYS 75 HB2 -0.01 0.05 -0.01 -0.04 1.87 1.86 2ja7P1 LYS 75 HB3 -0.01 -0.05 -0.04 -0.04 1.79 1.66 2ja7P1 LYS 75 HG2 -0.00 -0.04 0.04 -0.04 1.46 1.42 2ja7P1 LYS 75 HG3 -0.00 0.10 0.07 -0.04 1.46 1.59 2ja7P1 LYS 75 HD2 -0.00 0.04 0.03 -0.04 1.69 1.72 2ja7P1 LYS 75 HD3 -0.00 -0.04 0.01 -0.04 1.68 1.60 2ja7P1 LYS 75 HE2 0.00 -0.03 0.02 -0.04 2.99 2.94 2ja7P1 LYS 75 HE3 0.00 0.03 0.03 -0.04 2.99 3.01 2ja7P1 LYS 76 H -0.02 0.13 -0.58 -0.55 8.42 7.39 2ja7P1 LYS 76 HA -0.02 0.16 0.49 -0.75 4.32 4.19 2ja7P1 LYS 76 HB2 -0.01 0.00 -0.26 -0.04 1.87 1.55 2ja7P1 LYS 76 HB3 -0.01 -0.02 -0.01 -0.04 1.79 1.71 2ja7P1 LYS 76 HG2 -0.02 -0.02 0.04 -0.04 1.46 1.42 2ja7P1 LYS 76 HG3 -0.01 0.03 0.06 -0.04 1.46 1.50 2ja7P1 LYS 76 HD2 -0.01 -0.00 -0.02 -0.04 1.69 1.62 2ja7P1 LYS 76 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 2ja7P1 LYS 76 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 2ja7P1 LYS 76 HE3 -0.01 0.01 0.01 -0.04 2.99 2.96 2ja7P1 THR 118 HA -0.17 0.06 0.16 -0.75 4.39 3.69 2ja7P1 THR 118 HB -0.07 -0.09 0.11 -0.04 4.32 4.24 2ja7P1 THR 118 HG23 -0.08 0.01 0.02 -0.04 1.22 1.12 2ja7P1 ARG 119 H -0.31 0.23 0.08 -0.55 8.46 7.91 2ja7P1 ARG 119 HA -0.21 0.14 0.40 -0.75 4.34 3.92 2ja7P1 ARG 119 HB2 -0.55 0.09 0.07 -0.04 1.90 1.47 2ja7P1 ARG 119 HB3 -0.18 0.01 -0.05 -0.04 1.80 1.54 2ja7P1 ARG 119 HG2 -0.04 -0.11 0.10 -0.04 1.67 1.58 2ja7P1 ARG 119 HG3 -0.01 0.06 0.00 -0.04 1.67 1.68 2ja7P1 ARG 119 HD2 0.08 0.01 0.03 -0.04 3.22 3.30 2ja7P1 ARG 119 HD3 0.27 0.07 0.04 -0.04 3.22 3.56 2ja7P1 GLU 120 H -0.07 0.20 0.30 -0.55 8.60 8.48 2ja7P1 GLU 120 HA -0.02 0.02 0.43 -0.75 4.29 3.96 2ja7P1 GLU 120 HB2 -0.03 0.01 0.20 -0.04 2.09 2.24 2ja7P1 GLU 120 HB3 -0.03 0.06 0.04 -0.04 1.99 2.02 2ja7P1 GLU 120 HG2 -0.01 -0.04 0.14 -0.04 2.34 2.39 2ja7P1 GLU 120 HG3 -0.01 0.00 0.09 -0.04 2.34 2.38 2ja7P1 LYS 121 H -0.06 0.74 -0.49 -0.55 8.42 8.05 2ja7P1 LYS 121 HA -0.02 0.06 0.56 -0.75 4.32 4.17 2ja7P1 LYS 121 HB2 -0.05 0.18 0.03 -0.04 1.87 1.99 2ja7P1 LYS 121 HB3 -0.03 -0.01 -0.06 -0.04 1.79 1.65 2ja7P1 LYS 121 HG2 -0.02 -0.04 0.04 -0.04 1.46 1.40 2ja7P1 LYS 121 HG3 -0.03 0.00 0.02 -0.04 1.46 1.40 2ja7P1 LYS 121 HD2 -0.04 0.04 0.02 -0.04 1.69 1.67 2ja7P1 LYS 121 HD3 -0.03 -0.01 0.00 -0.04 1.68 1.60 2ja7P1 LYS 121 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.92 2ja7P1 LYS 121 HE3 -0.02 -0.00 0.01 -0.04 2.99 2.93 2ja7P1 GLU 122 H -0.05 0.53 -0.33 -0.55 8.60 8.21 2ja7P1 GLU 122 HA -0.02 0.11 0.63 -0.75 4.29 4.25 2ja7P1 GLU 122 HB2 -0.04 0.06 0.01 -0.04 2.09 2.07 2ja7P1 GLU 122 HB3 -0.02 0.08 -0.03 -0.04 1.99 1.97 2ja7P1 GLU 122 HG2 -0.00 -0.08 0.03 -0.04 2.34 2.24 2ja7P1 GLU 122 HG3 -0.01 0.01 0.01 -0.04 2.34 2.30 2ja7P1 LEU 123 H -0.01 0.28 -0.28 -0.55 8.37 7.82 2ja7P1 LEU 123 HA 0.01 0.07 0.41 -0.75 4.35 4.08 2ja7P1 LEU 123 HB2 -0.00 0.12 0.10 -0.04 1.64 1.82 2ja7P1 LEU 123 HB3 0.01 -0.03 0.01 -0.04 1.64 1.59 2ja7P1 LEU 123 HG -0.00 0.09 0.01 -0.04 1.64 1.70 2ja7P1 LEU 123 HD13 0.01 0.00 0.01 -0.04 0.93 0.91 2ja7P1 LEU 123 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.81 2ja7P1 GLU 124 H -0.01 0.28 -0.23 -0.55 8.60 8.10 2ja7P1 GLU 124 HA 0.00 0.06 0.46 -0.75 4.29 4.05 2ja7P1 GLU 124 HB2 -0.00 0.06 0.11 -0.04 2.09 2.22 2ja7P1 GLU 124 HB3 -0.01 0.10 -0.01 -0.04 1.99 2.03 2ja7P1 GLU 124 HG2 -0.00 -0.02 0.03 -0.04 2.34 2.31 2ja7P1 GLU 124 HG3 -0.00 -0.01 0.03 -0.04 2.34 2.32 2ja7P1 SER 125 H -0.01 0.24 -0.31 -0.55 8.46 7.84 2ja7P1 SER 125 HA -0.00 0.06 0.39 -0.75 4.49 4.18 2ja7P1 SER 125 HB2 -0.01 -0.02 0.09 -0.04 3.95 3.97 2ja7P1 SER 125 HB3 -0.01 0.14 0.14 -0.04 3.93 4.16 2ja7P1 ILE 126 H 0.00 0.33 -0.47 -0.55 8.25 7.56 2ja7P1 ILE 126 HA -0.00 0.12 0.77 -0.75 4.18 4.32 2ja7P1 ILE 126 HB 0.01 0.22 0.14 -0.04 1.89 2.21 2ja7P1 ILE 126 HG12 0.00 -0.04 0.01 -0.04 1.49 1.42 2ja7P1 ILE 126 HG13 0.00 0.04 -0.06 -0.04 1.21 1.15 2ja7P1 ILE 126 HG23 0.01 -0.03 -0.23 -0.04 0.93 0.65 2ja7P1 ILE 126 HD13 0.02 -0.01 -0.03 -0.04 0.88 0.82 2ja7P1 ASP 127 H 0.01 0.55 0.02 -0.55 8.40 8.43 2ja7P1 ASP 127 HA 0.01 -0.04 0.36 -0.75 4.63 4.20 2ja7P1 ASP 127 HB2 0.00 0.12 0.19 -0.04 2.71 2.98 2ja7P1 ASP 127 HB3 0.01 -0.02 0.00 -0.04 2.70 2.64 2ja7P1 VAL 128 H 0.00 0.32 -0.53 -0.55 8.24 7.49 2ja7P1 VAL 128 HA 0.00 0.05 0.39 -0.75 4.13 3.82 2ja7P1 VAL 128 HB 0.00 0.08 0.00 -0.04 2.12 2.16 2ja7P1 VAL 128 HG13 0.00 0.01 -0.22 -0.04 0.97 0.72 2ja7P1 VAL 128 HG23 0.00 0.01 -0.01 -0.04 0.95 0.92 2ja7P1 LEU 129 H -0.00 0.23 -0.17 -0.55 8.37 7.88 2ja7P1 LEU 129 HA -0.01 0.04 0.36 -0.75 4.35 3.98 2ja7P1 LEU 129 HB2 -0.01 0.06 0.18 -0.04 1.64 1.83 2ja7P1 LEU 129 HB3 -0.01 0.05 0.11 -0.04 1.64 1.75 2ja7P1 LEU 129 HG -0.03 -0.07 -0.16 -0.04 1.64 1.34 2ja7P1 LEU 129 HD13 -0.03 0.08 -0.16 -0.04 0.93 0.78 2ja7P1 LEU 129 HD23 -0.01 -0.03 -0.16 -0.04 0.89 0.65 2ja7P1 LEU 130 H -0.01 0.35 -0.81 -0.55 8.37 7.36 2ja7P1 LEU 130 HA -0.03 0.03 0.67 -0.75 4.35 4.27 2ja7P1 LEU 130 HB2 -0.00 0.24 0.20 -0.04 1.64 2.04 2ja7P1 LEU 130 HB3 -0.01 -0.16 0.01 -0.04 1.64 1.45 2ja7P1 LEU 130 HG -0.00 0.17 -0.15 -0.04 1.64 1.61 2ja7P1 LEU 130 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.80 2ja7P1 LEU 130 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.69 2ja7P1 GLU 131 H -0.00 0.58 0.18 -0.55 8.60 8.81 2ja7P1 GLU 131 HA 0.01 -0.05 0.31 -0.75 4.29 3.80 2ja7P1 GLU 131 HB2 0.01 0.06 0.17 -0.04 2.09 2.28 2ja7P1 GLU 131 HB3 0.01 -0.02 0.22 -0.04 1.99 2.16 2ja7P1 GLU 131 HG2 0.01 -0.07 0.08 -0.04 2.34 2.31 2ja7P1 GLU 131 HG3 0.00 0.15 0.18 -0.04 2.34 2.64 2ja7P1 GLN 132 H -0.01 0.61 -0.99 -0.55 8.47 7.53 2ja7P1 GLN 132 HA 0.03 0.10 0.73 -0.75 4.36 4.47 2ja7P1 GLN 132 HB2 -0.01 0.03 -0.05 -0.04 2.15 2.08 2ja7P1 GLN 132 HB3 0.02 -0.05 0.02 -0.04 2.02 1.97 2ja7P1 GLN 132 HG2 0.02 0.21 -0.29 -0.04 2.40 2.29 2ja7P1 GLN 132 HG3 0.01 0.26 -0.30 -0.04 2.39 2.32 2ja7P1 GLN 132 HE21 0.02 -0.06 -0.03 -0.04 6.97 6.87 2ja7P1 GLN 132 HE22 0.02 0.05 -0.00 -0.04 7.69 7.72 2ja7P1 THR 133 H -0.06 0.27 0.28 -0.55 8.28 8.22 2ja7P1 THR 133 HA -0.33 0.24 1.04 -0.75 4.39 4.58 2ja7P1 THR 133 HB -0.35 -0.10 0.20 -0.04 4.32 4.03 2ja7P1 THR 133 HG23 -0.25 -0.02 -0.05 -0.04 1.22 0.87 2ja7P1 THR 134 H -0.05 0.52 0.30 -0.55 8.28 8.50 2ja7P1 THR 134 HA -0.05 0.18 0.84 -0.75 4.39 4.60 2ja7P1 THR 134 HB -0.02 0.09 0.04 -0.04 4.32 4.39 2ja7P1 THR 134 HG23 -0.01 -0.16 0.10 -0.04 1.22 1.11 2ja7P1 GLY 135 H -0.01 0.07 0.16 -0.55 8.43 8.10 2ja7P1 GLY 135 HA2 0.02 0.29 0.58 -0.51 4.01 4.39 2ja7P1 GLY 135 HA3 0.01 -0.00 0.33 -0.51 4.01 3.84 2ja7P1 GLY 136 H 0.00 0.03 -0.27 -0.55 8.43 7.64 2ja7P1 GLY 136 HA2 0.01 0.03 0.24 -0.51 4.01 3.77 2ja7P1 GLY 136 HA3 0.01 0.24 0.31 -0.51 4.01 4.06 2ja7P1 ASN 137 H 0.01 0.41 -1.03 -0.55 8.53 7.37 2ja7P1 ASN 137 HA 0.01 0.18 0.65 -0.75 4.76 4.84 2ja7P1 ASN 137 HB2 0.01 -0.02 0.15 -0.04 2.88 2.98 2ja7P1 ASN 137 HB3 0.01 0.08 0.06 -0.04 2.79 2.89 2ja7P1 ASN 137 HD21 0.01 0.01 0.04 -0.04 7.03 7.04 2ja7P1 ASN 137 HD22 0.01 0.01 0.04 -0.04 7.74 7.75 2ja7P1 ASN 138 H 0.00 0.02 -0.57 -0.55 8.53 7.44 2ja7P1 ASN 138 HA 0.00 0.20 0.56 -0.75 4.76 4.77 2ja7P1 ASN 138 HB2 -0.00 0.02 0.08 -0.04 2.88 2.94 2ja7P1 ASN 138 HB3 -0.00 -0.02 0.14 -0.04 2.79 2.86 2ja7P1 ASN 138 HD21 -0.00 0.08 0.04 -0.04 7.03 7.11 2ja7P1 ASN 138 HD22 -0.00 0.04 0.05 -0.04 7.74 7.80 2ja7P1 LYS 139 H 0.00 0.54 -0.53 -0.55 8.42 7.87 2ja7P1 LYS 139 HA 0.00 0.06 0.23 -0.75 4.32 3.86 2ja7P1 LYS 139 HB2 0.00 0.01 0.06 -0.04 1.87 1.91 2ja7P1 LYS 139 HB3 0.00 0.09 0.04 -0.04 1.79 1.88 2ja7P1 LYS 139 HG2 0.00 0.07 0.01 -0.04 1.46 1.50 2ja7P1 LYS 139 HG3 -0.00 -0.05 0.03 -0.04 1.46 1.40 2ja7P1 LYS 139 HD2 -0.00 0.03 -0.09 -0.04 1.69 1.58 2ja7P1 LYS 139 HD3 -0.00 -0.03 -0.53 -0.04 1.68 1.08 2ja7P1 LYS 139 HE2 0.00 -0.02 -0.05 -0.04 2.99 2.88 2ja7P1 LYS 139 HE3 -0.00 0.04 -0.03 -0.04 2.99 2.96 2ja7P1 ASP 140 H -0.00 0.03 -0.66 -0.55 8.40 7.23 2ja7P1 ASP 140 HA -0.01 0.13 0.41 -0.75 4.63 4.41 2ja7P1 ASP 140 HB2 -0.01 -0.05 0.05 -0.04 2.71 2.65 2ja7P1 ASP 140 HB3 -0.02 0.05 -0.07 -0.04 2.70 2.61 2ja7P1 LEU 141 H -0.00 0.17 -0.02 -0.55 8.37 7.97 2ja7P1 LEU 141 HA 0.00 0.05 0.32 -0.75 4.35 3.97 2ja7P1 LEU 141 HB2 -0.00 -0.02 0.14 -0.04 1.64 1.72 2ja7P1 LEU 141 HB3 -0.00 0.03 0.04 -0.04 1.64 1.67 2ja7P1 LEU 141 HG 0.00 0.01 -0.08 -0.04 1.64 1.52 2ja7P1 LEU 141 HD13 0.00 -0.00 -0.01 -0.04 0.93 0.88 2ja7P1 LEU 141 HD23 -0.01 0.01 -0.01 -0.04 0.89 0.84 2ja7P1 LYS 142 H 0.01 0.35 -0.30 -0.55 8.42 7.92 2ja7P1 LYS 142 HA 0.02 0.05 0.35 -0.75 4.32 3.98 2ja7P1 LYS 142 HB2 0.01 0.10 0.09 -0.04 1.87 2.03 2ja7P1 LYS 142 HB3 0.02 0.02 -0.02 -0.04 1.79 1.77 2ja7P1 LYS 142 HG2 0.01 0.01 0.01 -0.04 1.46 1.44 2ja7P1 LYS 142 HG3 0.01 -0.04 -0.07 -0.04 1.46 1.31 2ja7P1 LYS 142 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 2ja7P1 LYS 142 HD3 0.01 0.01 -0.00 -0.04 1.68 1.65 2ja7P1 LYS 142 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 2ja7P1 LYS 142 HE3 0.01 0.01 -0.02 -0.04 2.99 2.94 2ja7P1 ASN 143 H 0.01 0.50 -0.11 -0.55 8.53 8.38 2ja7P1 ASN 143 HA 0.04 -0.03 0.42 -0.75 4.76 4.44 2ja7P1 ASN 143 HB2 -0.00 0.14 0.18 -0.04 2.88 3.16 2ja7P1 ASN 143 HB3 -0.00 -0.05 0.11 -0.04 2.79 2.81 2ja7P1 ASN 143 HD21 0.01 -0.05 0.04 -0.04 7.03 6.99 2ja7P1 ASN 143 HD22 0.00 0.16 0.06 -0.04 7.74 7.92 2ja7P1 THR 144 H 0.02 0.32 -0.65 -0.55 8.28 7.42 2ja7P1 THR 144 HA 0.01 0.07 0.72 -0.75 4.39 4.43 2ja7P1 THR 144 HB 0.01 0.07 0.07 -0.04 4.32 4.44 2ja7P1 THR 144 HG23 0.02 -0.03 -0.05 -0.04 1.22 1.12 2ja7P1 MET 145 H 0.04 0.63 0.02 -0.55 8.47 8.61 2ja7P1 MET 145 HA 0.06 0.01 0.58 -0.75 4.52 4.42 2ja7P1 MET 145 HB2 0.03 0.14 0.18 -0.04 2.15 2.46 2ja7P1 MET 145 HB3 0.03 -0.03 0.01 -0.04 2.03 1.99 2ja7P1 MET 145 HG2 0.02 0.16 -0.01 -0.04 2.63 2.76 2ja7P1 MET 145 HG3 0.02 -0.02 -0.06 -0.04 2.56 2.45 2ja7P1 MET 145 HE3 0.02 0.01 -0.00 -0.04 2.10 2.09 2ja7P1 GLN 146 H 0.07 0.48 -0.03 -0.55 8.47 8.45 2ja7P1 GLN 146 HA 0.08 0.07 0.36 -0.75 4.36 4.11 2ja7P1 GLN 146 HB2 0.11 -0.06 0.16 -0.04 2.15 2.31 2ja7P1 GLN 146 HB3 0.10 0.02 0.02 -0.04 2.02 2.12 2ja7P1 GLN 146 HG2 0.05 -0.01 0.02 -0.04 2.40 2.42 2ja7P1 GLN 146 HG3 0.05 0.14 -0.03 -0.04 2.39 2.52 2ja7P1 GLN 146 HE21 0.03 0.01 -0.01 -0.04 6.97 6.96 2ja7P1 GLN 146 HE22 0.03 0.00 -0.02 -0.04 7.69 7.66 2ja7P1 TYR 147 H 0.20 0.32 -0.09 -0.55 8.29 8.17 2ja7P1 TYR 147 HA 0.16 0.02 0.34 -0.75 4.56 4.33 2ja7P1 TYR 147 HB2 -0.07 0.06 0.18 -0.04 3.06 3.19 2ja7P1 TYR 147 HB3 -0.04 0.03 0.19 -0.04 2.98 3.12 2ja7P1 TYR 147 HD2 -0.29 0.00 -0.03 -0.04 7.15 6.79 2ja7P1 TYR 147 HE2 -0.38 -0.02 -0.01 -0.04 6.85 6.40 2ja7P1 LEU 148 H 0.29 0.55 -0.19 -0.55 8.37 8.47 2ja7P1 LEU 148 HA 0.09 -0.09 0.35 -0.75 4.35 3.94 2ja7P1 LEU 148 HB2 0.14 0.84 0.33 -0.04 1.64 2.91 2ja7P1 LEU 148 HB3 0.09 -0.02 0.02 -0.04 1.64 1.69 2ja7P1 LEU 148 HG 0.17 0.05 0.07 -0.04 1.64 1.88 2ja7P1 LEU 148 HD13 0.06 -0.00 -0.14 -0.04 0.93 0.80 2ja7P1 LEU 148 HD23 0.08 -0.01 0.18 -0.04 0.89 1.10 2ja7P1 THR 149 H 0.09 0.65 -0.42 -0.55 8.28 8.05 2ja7P1 THR 149 HA 0.07 -0.03 0.68 -0.75 4.39 4.35 2ja7P1 THR 149 HB 0.05 0.12 0.17 -0.04 4.32 4.63 2ja7P1 THR 149 HG23 0.05 0.00 -0.05 -0.04 1.22 1.19 2ja7P1 ASN 150 H 0.12 0.61 0.08 -0.55 8.53 8.80 2ja7P1 ASN 150 HA 0.06 0.07 0.67 -0.75 4.76 4.81 2ja7P1 ASN 150 HB2 0.23 0.02 0.05 -0.04 2.88 3.14 2ja7P1 ASN 150 HB3 -0.09 -0.02 -0.05 -0.04 2.79 2.59 2ja7P1 ASN 150 HD21 0.06 -0.05 -0.05 -0.04 7.03 6.95 2ja7P1 ASN 150 HD22 0.12 -0.05 -0.19 -0.04 7.74 7.58 2ja7P1 PHE 151 H 0.27 0.54 0.12 -0.55 8.34 8.72 2ja7P1 PHE 151 HA -0.16 0.16 0.67 -0.75 4.62 4.54 2ja7P1 PHE 151 HB2 -0.58 -0.04 0.02 -0.04 3.15 2.52 2ja7P1 PHE 151 HB3 -0.26 0.01 0.15 -0.04 3.06 2.93 2ja7P1 PHE 151 HD2 -0.23 0.05 0.09 -0.04 7.28 7.15 2ja7P1 PHE 151 HE2 -0.02 -0.03 0.00 -0.04 7.38 7.29 2ja7P1 PHE 151 HZ 0.02 -0.02 -0.00 -0.04 7.32 7.28 2ja7P1 SER 152 H 0.05 0.10 -0.55 -0.55 8.46 7.52 2ja7P1 SER 152 HA 0.05 -0.15 0.38 -0.75 4.49 4.02 2ja7P1 SER 152 HB2 0.09 -0.10 0.15 -0.04 3.95 4.04 2ja7P1 SER 152 HB3 0.07 -0.04 0.33 -0.04 3.93 4.25 2ja7P1 ARG 153 H 0.08 -0.03 0.10 -0.55 8.46 8.07 2ja7P1 ARG 153 HA -0.30 0.30 0.90 -0.75 4.34 4.49 2ja7P1 ARG 153 HB2 -0.09 -0.02 -0.06 -0.04 1.90 1.69 2ja7P1 ARG 153 HB3 -1.20 -0.02 0.01 -0.04 1.80 0.55 2ja7P1 ARG 153 HG2 -0.41 -0.02 0.07 -0.04 1.67 1.27 2ja7P1 ARG 153 HG3 -0.20 0.09 -0.09 -0.04 1.67 1.42 2ja7P1 ARG 153 HD2 -0.03 0.10 -0.10 -0.04 3.22 3.16 2ja7P1 ARG 153 HD3 -0.19 -0.02 -0.03 -0.04 3.22 2.93 2ja7P1 PHE 154 H 0.10 0.15 0.10 -0.55 8.34 8.14 2ja7P1 PHE 154 HA 0.04 0.10 0.65 -0.75 4.62 4.66 2ja7P1 PHE 154 HB2 0.01 0.02 -0.09 -0.04 3.15 3.05 2ja7P1 PHE 154 HB3 0.01 -0.13 0.05 -0.04 3.06 2.95 2ja7P1 PHE 154 HD2 0.01 -0.11 -0.15 -0.04 7.28 6.99 2ja7P1 PHE 154 HE2 -0.01 0.08 -0.12 -0.04 7.38 7.29 2ja7P1 PHE 154 HZ -0.01 0.05 -0.03 -0.04 7.32 7.29 2ja7P1 ARG 155 H 0.14 0.06 0.21 -0.55 8.46 8.32 2ja7P1 ARG 155 HA 0.08 0.28 1.01 -0.75 4.34 4.95 2ja7P1 ARG 155 HB2 0.04 0.09 -0.02 -0.04 1.90 1.97 2ja7P1 ARG 155 HB3 0.04 -0.03 0.07 -0.04 1.80 1.84 2ja7P1 ARG 155 HG2 0.02 -0.05 0.02 -0.04 1.67 1.61 2ja7P1 ARG 155 HG3 0.00 0.04 0.10 -0.04 1.67 1.76 2ja7P1 ARG 155 HD2 -0.05 0.04 -0.00 -0.04 3.22 3.17 2ja7P1 ARG 155 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 2ja7P1 ASP 156 H 0.11 0.03 0.20 -0.55 8.40 8.18 2ja7P1 ASP 156 HA 0.03 0.33 1.05 -0.75 4.63 5.29 2ja7P1 ASP 156 HB2 0.05 0.08 0.22 -0.04 2.71 3.03 2ja7P1 ASP 156 HB3 0.03 -0.32 0.13 -0.04 2.70 2.50 2ja7P1 GLN 157 H 0.02 0.31 0.20 -0.55 8.47 8.45 2ja7P1 GLN 157 HA -0.00 0.12 0.38 -0.75 4.36 4.10 2ja7P1 GLN 157 HB2 0.00 0.07 0.13 -0.04 2.15 2.32 2ja7P1 GLN 157 HB3 0.00 0.01 0.06 -0.04 2.02 2.05 2ja7P1 GLN 157 HG2 -0.00 0.04 0.02 -0.04 2.40 2.42 2ja7P1 GLN 157 HG3 -0.01 -0.02 0.09 -0.04 2.39 2.41 2ja7P1 GLN 157 HE21 -0.01 0.03 -0.03 -0.04 6.97 6.92 2ja7P1 GLN 157 HE22 -0.02 -0.02 0.02 -0.04 7.69 7.63 2ja7P1 GLU 158 H 0.01 -0.08 -0.63 -0.55 8.60 7.35 2ja7P1 GLU 158 HA -0.01 0.20 0.63 -0.75 4.29 4.36 2ja7P1 GLU 158 HB2 0.01 -0.03 0.04 -0.04 2.09 2.07 2ja7P1 GLU 158 HB3 0.00 0.08 0.01 -0.04 1.99 2.04 2ja7P1 GLU 158 HG2 0.00 0.08 -0.01 -0.04 2.34 2.36 2ja7P1 GLU 158 HG3 0.00 -0.11 -0.05 -0.04 2.34 2.15 2ja7P1 THR 159 H 0.02 0.06 -0.02 -0.55 8.28 7.79 2ja7P1 THR 159 HA 0.02 0.15 0.57 -0.75 4.39 4.38 2ja7P1 THR 159 HB 0.24 0.14 0.10 -0.04 4.32 4.76 2ja7P1 THR 159 HG23 0.08 0.02 0.12 -0.04 1.22 1.41 2ja7P1 VAL 160 H -0.05 0.50 -0.04 -0.55 8.24 8.11 2ja7P1 VAL 160 HA -0.54 0.11 0.39 -0.75 4.13 3.33 2ja7P1 VAL 160 HB -0.08 0.02 -0.01 -0.04 2.12 2.00 2ja7P1 VAL 160 HG13 -0.16 0.01 -0.04 -0.04 0.97 0.74 2ja7P1 VAL 160 HG23 -0.06 0.05 -0.10 -0.04 0.95 0.81 2ja7P1 GLY 161 H -0.07 0.08 -0.72 -0.55 8.43 7.18 2ja7P1 GLY 161 HA2 -0.07 0.07 0.45 -0.51 4.01 3.95 2ja7P1 GLY 161 HA3 -0.05 0.12 0.29 -0.51 4.01 3.87 2ja7P1 ALA 162 H -0.06 0.39 -0.19 -0.55 8.40 7.99 2ja7P1 ALA 162 HA -0.04 0.02 0.40 -0.75 4.34 3.97 2ja7P1 ALA 162 HB3 -0.02 0.04 0.10 -0.04 1.41 1.50 2ja7P1 VAL 163 H -0.16 0.38 -0.31 -0.55 8.24 7.60 2ja7P1 VAL 163 HA -0.09 0.05 0.34 -0.75 4.13 3.67 2ja7P1 VAL 163 HB -0.36 0.10 0.08 -0.04 2.12 1.90 2ja7P1 VAL 163 HG13 -0.18 -0.01 -0.08 -0.04 0.97 0.66 2ja7P1 VAL 163 HG23 -0.76 0.15 0.06 -0.04 0.95 0.36 2ja7P1 ILE 164 H -0.12 0.37 -0.37 -0.55 8.25 7.58 2ja7P1 ILE 164 HA -0.07 0.02 0.41 -0.75 4.18 3.78 2ja7P1 ILE 164 HB -0.07 0.16 0.19 -0.04 1.89 2.12 2ja7P1 ILE 164 HG12 -0.09 -0.05 0.03 -0.04 1.49 1.34 2ja7P1 ILE 164 HG13 -0.13 0.30 0.14 -0.04 1.21 1.49 2ja7P1 ILE 164 HG23 -0.04 -0.02 -0.12 -0.04 0.93 0.71 2ja7P1 ILE 164 HD13 -0.06 -0.03 0.01 -0.04 0.88 0.75 2ja7P1 GLN 165 H -0.05 0.63 0.04 -0.55 8.47 8.54 2ja7P1 GLN 165 HA -0.03 -0.00 0.31 -0.75 4.36 3.89 2ja7P1 GLN 165 HB2 -0.03 0.06 0.09 -0.04 2.15 2.23 2ja7P1 GLN 165 HB3 -0.02 -0.04 0.01 -0.04 2.02 1.93 2ja7P1 GLN 165 HG2 -0.02 -0.04 0.04 -0.04 2.40 2.33 2ja7P1 GLN 165 HG3 -0.03 0.26 -0.02 -0.04 2.39 2.55 2ja7P1 GLN 165 HE21 -0.01 -0.03 -0.05 -0.04 6.97 6.84 2ja7P1 GLN 165 HE22 -0.02 -0.03 -0.21 -0.04 7.69 7.39 2ja7P1 LEU 166 H -0.04 0.47 -0.61 -0.55 8.37 7.65 2ja7P1 LEU 166 HA -0.01 0.01 0.42 -0.75 4.35 4.01 2ja7P1 LEU 166 HB2 -0.02 0.04 0.06 -0.04 1.64 1.69 2ja7P1 LEU 166 HB3 -0.03 0.18 0.19 -0.04 1.64 1.95 2ja7P1 LEU 166 HG -0.01 -0.05 -0.21 -0.04 1.64 1.33 2ja7P1 LEU 166 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.82 2ja7P1 LEU 166 HD23 0.00 -0.00 -0.06 -0.04 0.89 0.79 2ja7P1 LEU 167 H -0.03 0.57 0.12 -0.55 8.37 8.48 2ja7P1 LEU 167 HA -0.01 -0.04 0.35 -0.75 4.35 3.89 2ja7P1 LEU 167 HB2 -0.04 0.12 0.06 -0.04 1.64 1.74 2ja7P1 LEU 167 HB3 -0.03 -0.13 0.04 -0.04 1.64 1.48 2ja7P1 LEU 167 HG -0.03 0.20 0.06 -0.04 1.64 1.83 2ja7P1 LEU 167 HD13 -0.03 -0.01 -0.18 -0.04 0.93 0.66 2ja7P1 LEU 167 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.74 2ja7P1 LYS 168 H -0.03 0.61 -0.62 -0.55 8.42 7.83 2ja7P1 LYS 168 HA -0.02 0.00 0.56 -0.75 4.32 4.11 2ja7P1 LYS 168 HB2 -0.02 0.21 0.01 -0.04 1.87 2.03 2ja7P1 LYS 168 HB3 -0.02 -0.07 0.17 -0.04 1.79 1.83 2ja7P1 LYS 168 HG2 -0.03 -0.06 -0.03 -0.04 1.46 1.30 2ja7P1 LYS 168 HG3 -0.03 0.06 -0.03 -0.04 1.46 1.41 2ja7P1 LYS 168 HD2 -0.03 -0.01 -0.08 -0.04 1.69 1.53 2ja7P1 LYS 168 HD3 -0.02 -0.03 0.01 -0.04 1.68 1.60 2ja7P1 LYS 168 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2ja7P1 LYS 168 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 2ja7P1 SER 169 H -0.01 0.28 -0.60 -0.55 8.46 7.59 2ja7P1 SER 169 HA -0.00 0.15 0.84 -0.75 4.49 4.72 2ja7P1 SER 169 HB2 -0.00 -0.09 0.12 -0.04 3.95 3.93 2ja7P1 SER 169 HB3 -0.01 0.04 0.05 -0.04 3.93 3.97 2ja7P1 THR 170 H -0.01 0.38 -0.00 -0.55 8.28 8.10 2ja7P1 THR 170 HA 0.00 0.11 0.43 -0.75 4.39 4.19 2ja7P1 THR 170 HB 0.00 -0.29 0.04 -0.04 4.32 4.03 2ja7P1 THR 170 HG23 0.00 -0.00 0.03 -0.04 1.22 1.22 2ja7P1 GLY 171 H 0.00 0.17 -0.19 -0.55 8.43 7.87 2ja7P1 GLY 171 HA2 0.01 0.02 0.28 -0.51 4.01 3.82 2ja7P1 GLY 171 HA3 0.01 0.12 0.52 -0.51 4.01 4.16 2ja7P1 LEU 172 H 0.01 -0.12 -0.65 -0.55 8.37 7.07 2ja7P1 LEU 172 HA 0.05 0.10 0.34 -0.75 4.35 4.09 2ja7P1 LEU 172 HB2 0.01 0.00 -0.07 -0.04 1.64 1.55 2ja7P1 LEU 172 HB3 0.04 -0.11 0.06 -0.04 1.64 1.58 2ja7P1 LEU 172 HG 0.01 0.07 -0.06 -0.04 1.64 1.62 2ja7P1 LEU 172 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.80 2ja7P1 LEU 172 HD23 0.03 0.01 -0.05 -0.04 0.89 0.84 2ja7P1 HIS 173 H 0.15 0.07 0.12 -0.55 8.41 8.21 2ja7P1 HIS 173 HA 0.04 0.31 0.75 -0.75 4.63 4.96 2ja7P1 HIS 173 HB2 0.04 0.13 0.08 -0.04 3.26 3.48 2ja7P1 HIS 173 HB3 0.06 -0.04 0.13 -0.04 3.20 3.31 2ja7P1 HIS 173 HD2 0.19 -0.09 -0.10 -0.04 6.97 6.92 2ja7P1 HIS 173 HE1 0.07 0.10 -0.07 -0.04 7.75 7.81 2ja7P1 PRO 174 HA -0.18 0.14 0.23 -0.51 4.44 4.12 2ja7P1 PRO 174 HB2 -0.43 -0.04 -0.05 -0.04 2.28 1.72 2ja7P1 PRO 174 HB3 -0.13 0.00 -0.13 -0.04 2.02 1.71 2ja7P1 PRO 174 HG2 -0.09 0.05 0.02 -0.04 2.03 1.97 2ja7P1 PRO 174 HG3 -0.11 0.13 0.03 -0.04 2.03 2.04 2ja7P1 PRO 174 HD2 -0.31 0.08 0.19 -0.04 3.68 3.60 2ja7P1 PRO 174 HD3 -0.08 0.30 0.22 -0.04 3.65 4.05 2ja7P1 PHE 175 H -0.69 0.13 -0.27 -0.55 8.34 6.95 2ja7P1 PHE 175 HA -0.04 0.08 0.23 -0.75 4.62 4.14 2ja7P1 PHE 175 HB2 0.29 0.04 0.01 -0.04 3.15 3.46 2ja7P1 PHE 175 HB3 0.27 -0.02 -0.03 -0.04 3.06 3.24 2ja7P1 PHE 175 HD2 0.03 -0.01 -0.07 -0.04 7.28 7.19 2ja7P1 PHE 175 HE2 -0.01 0.02 -0.03 -0.04 7.38 7.32 2ja7P1 PHE 175 HZ -0.01 0.04 -0.03 -0.04 7.32 7.29 2ja7P1 GLU 176 H 0.13 0.30 -0.21 -0.55 8.60 8.28 2ja7P1 GLU 176 HA -0.12 0.04 0.50 -0.75 4.29 3.97 2ja7P1 GLU 176 HB2 0.04 0.11 0.11 -0.04 2.09 2.31 2ja7P1 GLU 176 HB3 0.01 0.00 0.00 -0.04 1.99 1.97 2ja7P1 GLU 176 HG2 0.10 -0.02 -0.06 -0.04 2.34 2.32 2ja7P1 GLU 176 HG3 0.24 -0.09 -0.01 -0.04 2.34 2.44 2ja7P1 VAL 177 H -0.06 0.49 -0.20 -0.55 8.24 7.92 2ja7P1 VAL 177 HA -0.05 0.01 0.19 -0.75 4.13 3.52 2ja7P1 VAL 177 HB -0.08 0.05 -0.09 -0.04 2.12 1.96 2ja7P1 VAL 177 HG13 -0.04 0.01 -0.05 -0.04 0.97 0.84 2ja7P1 VAL 177 HG23 -0.04 0.09 -0.37 -0.04 0.95 0.60 2ja7P1 ALA 178 H -0.14 0.46 -1.55 -0.55 8.40 6.62 2ja7P1 ALA 178 HA -0.07 0.12 0.66 -0.75 4.34 4.29 2ja7P1 ALA 178 HB3 -0.16 0.08 -0.19 -0.04 1.41 1.10 2ja7P1 GLN 179 H -0.32 0.55 0.24 -0.55 8.47 8.39 2ja7P1 GLN 179 HA -0.15 0.01 0.39 -0.75 4.36 3.86 2ja7P1 GLN 179 HB2 -0.23 -0.01 0.25 -0.04 2.15 2.12 2ja7P1 GLN 179 HB3 -0.15 0.04 0.06 -0.04 2.02 1.92 2ja7P1 GLN 179 HG2 -0.87 0.19 0.19 -0.04 2.40 1.88 2ja7P1 GLN 179 HG3 -0.61 -0.05 0.06 -0.04 2.39 1.75 2ja7P1 GLN 179 HE21 -0.10 -0.00 -0.00 -0.04 6.97 6.83 2ja7P1 GLN 179 HE22 -0.32 -0.02 -0.02 -0.04 7.69 7.29 2ja7P1 LEU 180 H -0.09 0.58 -0.12 -0.55 8.37 8.19 2ja7P1 LEU 180 HA -0.03 0.08 0.34 -0.75 4.35 3.99 2ja7P1 LEU 180 HB2 -0.03 -0.02 -0.08 -0.04 1.64 1.47 2ja7P1 LEU 180 HB3 -0.01 0.02 -0.08 -0.04 1.64 1.52 2ja7P1 LEU 180 HG -0.04 0.02 -0.04 -0.04 1.64 1.54 2ja7P1 LEU 180 HD13 -0.01 -0.02 -0.13 -0.04 0.93 0.73 2ja7P1 LEU 180 HD23 -0.01 0.00 -0.06 -0.04 0.89 0.78 2ja7P1 GLY 181 H -0.03 0.27 -0.46 -0.55 8.43 7.67 2ja7P1 GLY 181 HA2 0.07 0.09 0.48 -0.51 4.01 4.13 2ja7P1 GLY 181 HA3 0.02 -0.02 0.21 -0.51 4.01 3.71 2ja7P1 SER 182 H -0.00 0.38 -0.08 -0.55 8.46 8.22 2ja7P1 SER 182 HA 0.07 0.22 0.80 -0.75 4.49 4.83 2ja7P1 SER 182 HB2 0.03 0.01 0.14 -0.04 3.95 4.09 2ja7P1 SER 182 HB3 0.05 -0.21 0.06 -0.04 3.93 3.78 2ja7P1 LEU 183 H 0.01 0.32 -0.33 -0.55 8.37 7.82 2ja7P1 LEU 183 HA 0.00 0.10 1.01 -0.75 4.35 4.71 2ja7P1 LEU 183 HB2 -0.02 0.14 0.07 -0.04 1.64 1.80 2ja7P1 LEU 183 HB3 -0.01 0.02 -0.07 -0.04 1.64 1.55 2ja7P1 LEU 183 HG -0.02 -0.09 -0.22 -0.04 1.64 1.26 2ja7P1 LEU 183 HD13 -0.02 -0.03 -0.01 -0.04 0.93 0.83 2ja7P1 LEU 183 HD23 0.02 0.05 0.06 -0.04 0.89 0.97 2ja7P1 ALA 184 H -0.01 0.12 0.08 -0.55 8.40 8.04 2ja7P1 ALA 184 HA -0.02 0.07 0.37 -0.75 4.34 4.00 2ja7P1 ALA 184 HB3 -0.04 0.00 0.07 -0.04 1.41 1.40 2ja7P1 CYS 185 H -0.01 0.26 0.16 -0.55 8.50 8.37 2ja7P1 CYS 185 HA -0.01 0.00 0.70 -0.75 4.58 4.52 2ja7P1 CYS 185 HB2 -0.00 0.03 0.08 -0.04 2.97 3.03 2ja7P1 CYS 185 HB3 -0.00 -0.08 -0.11 -0.04 2.97 2.74 2ja7P1 ASP 186 H -0.01 0.03 0.11 -0.55 8.40 7.98 2ja7P1 ASP 186 HA -0.01 0.24 0.77 -0.75 4.63 4.88 2ja7P1 ASP 186 HB2 -0.01 -0.10 0.13 -0.04 2.71 2.69 2ja7P1 ASP 186 HB3 -0.01 0.03 0.05 -0.04 2.70 2.73 2ja7P1 THR 187 H -0.00 -0.06 0.12 -0.55 8.28 7.79 2ja7P1 THR 187 HA -0.00 0.35 0.82 -0.75 4.39 4.80 2ja7P1 THR 187 HB -0.00 -0.36 0.08 -0.04 4.32 3.99 2ja7P1 THR 187 HG23 -0.00 -0.04 0.14 -0.04 1.22 1.28 2ja7P1 ALA 188 H 0.00 0.19 0.17 -0.55 8.40 8.21 2ja7P1 ALA 188 HA 0.00 0.21 0.48 -0.75 4.34 4.28 2ja7P1 ALA 188 HB3 0.00 0.05 0.09 -0.04 1.41 1.52 2ja7P1 ASP 189 H 0.00 0.02 -0.06 -0.55 8.40 7.81 2ja7P1 ASP 189 HA 0.00 0.17 0.41 -0.75 4.63 4.46 2ja7P1 ASP 189 HB2 0.00 -0.01 0.08 -0.04 2.71 2.74 2ja7P1 ASP 189 HB3 0.00 -0.01 0.02 -0.04 2.70 2.67 2ja7P1 GLU 190 H 0.00 -0.01 -0.15 -0.55 8.60 7.89 2ja7P1 GLU 190 HA 0.00 0.11 0.31 -0.75 4.29 3.96 2ja7P1 GLU 190 HB2 -0.00 -0.03 0.12 -0.04 2.09 2.14 2ja7P1 GLU 190 HB3 -0.00 -0.06 0.07 -0.04 1.99 1.96 2ja7P1 GLU 190 HG2 -0.00 0.17 -0.01 -0.04 2.34 2.45 2ja7P1 GLU 190 HG3 0.00 0.03 0.11 -0.04 2.34 2.44 2ja7P1 ALA 191 H 0.00 -0.01 -1.03 -0.55 8.40 6.81 2ja7P1 ALA 191 HA -0.00 0.19 0.52 -0.75 4.34 4.29 2ja7P1 ALA 191 HB3 -0.00 0.04 0.04 -0.04 1.41 1.44 2ja7P1 LYS 192 H 0.00 0.69 0.16 -0.55 8.42 8.72 2ja7P1 LYS 192 HA 0.01 0.03 0.25 -0.75 4.32 3.86 2ja7P1 LYS 192 HB2 0.01 0.03 0.07 -0.04 1.87 1.93 2ja7P1 LYS 192 HB3 0.01 -0.11 0.22 -0.04 1.79 1.87 2ja7P1 LYS 192 HG2 0.01 -0.06 0.10 -0.04 1.46 1.47 2ja7P1 LYS 192 HG3 0.01 0.03 0.09 -0.04 1.46 1.54 2ja7P1 LYS 192 HD2 0.01 -0.17 -0.03 -0.04 1.69 1.46 2ja7P1 LYS 192 HD3 0.01 0.01 -0.07 -0.04 1.68 1.59 2ja7P1 LYS 192 HE2 0.01 0.26 0.04 -0.04 2.99 3.26 2ja7P1 LYS 192 HE3 0.01 -0.14 0.03 -0.04 2.99 2.85 2ja7P1 THR 193 H 0.01 0.19 -1.08 -0.55 8.28 6.86 2ja7P1 THR 193 HA 0.01 0.17 0.95 -0.75 4.39 4.77 2ja7P1 THR 193 HB 0.01 0.32 -0.04 -0.04 4.32 4.57 2ja7P1 THR 193 HG23 0.01 -0.01 -0.20 -0.04 1.22 0.98 2ja7P1 LEU 194 H 0.01 0.39 0.06 -0.55 8.37 8.28 2ja7P1 LEU 194 HA 0.02 0.08 0.71 -0.75 4.35 4.41 2ja7P1 LEU 194 HB2 0.00 0.17 0.23 -0.04 1.64 2.00 2ja7P1 LEU 194 HB3 0.01 -0.07 0.17 -0.04 1.64 1.70 2ja7P1 LEU 194 HG 0.01 0.07 0.14 -0.04 1.64 1.81 2ja7P1 LEU 194 HD13 0.01 -0.01 0.07 -0.04 0.93 0.95 2ja7P1 LEU 194 HD23 0.01 -0.02 0.02 -0.04 0.89 0.87 2ja7P1 ILE 195 H 0.01 0.17 -0.36 -0.55 8.25 7.52 2ja7P1 ILE 195 HA 0.04 0.15 0.71 -0.75 4.18 4.32 2ja7P1 ILE 195 HB 0.00 -0.01 0.05 -0.04 1.89 1.90 2ja7P1 ILE 195 HG12 -0.05 0.08 -0.16 -0.04 1.49 1.32 2ja7P1 ILE 195 HG13 -0.01 0.02 -0.45 -0.04 1.21 0.72 2ja7P1 ILE 195 HG23 -0.00 -0.05 0.05 -0.04 0.93 0.88 2ja7P1 ILE 195 HD13 -0.04 -0.00 -0.16 -0.04 0.88 0.63 2ja7P1 PRO 196 HA 0.03 0.18 0.37 -0.51 4.44 4.51 2ja7P1 PRO 196 HB2 0.03 0.02 0.06 -0.04 2.28 2.34 2ja7P1 PRO 196 HB3 0.02 0.09 0.12 -0.04 2.02 2.21 2ja7P1 PRO 196 HG2 0.05 0.06 -0.04 -0.04 2.03 2.06 2ja7P1 PRO 196 HG3 0.04 0.05 -0.01 -0.04 2.03 2.07 2ja7P1 PRO 196 HD2 0.06 0.14 -0.18 -0.04 3.68 3.66 2ja7P1 PRO 196 HD3 0.03 0.38 -0.44 -0.04 3.65 3.58 2ja7P1 SER 197 H 0.06 0.05 -0.72 -0.55 8.46 7.31 2ja7P1 SER 197 HA 0.04 0.17 0.53 -0.75 4.49 4.48 2ja7P1 SER 197 HB2 0.08 -0.01 -0.03 -0.04 3.95 3.94 2ja7P1 SER 197 HB3 0.09 0.09 -0.11 -0.04 3.93 3.96 2ja7P1 LEU 198 H 0.04 0.46 -0.07 -0.55 8.37 8.25 2ja7P1 LEU 198 HA 0.03 0.07 0.53 -0.75 4.35 4.23 2ja7P1 LEU 198 HB2 0.02 -0.04 0.18 -0.04 1.64 1.76 2ja7P1 LEU 198 HB3 0.02 -0.03 -0.02 -0.04 1.64 1.57 2ja7P1 LEU 198 HG 0.03 0.08 0.08 -0.04 1.64 1.79 2ja7P1 LEU 198 HD13 0.00 -0.01 -0.09 -0.04 0.93 0.80 2ja7P1 LEU 198 HD23 0.03 -0.02 -0.06 -0.04 0.89 0.80 2ja7P1 ASN 199 H 0.02 0.16 0.03 -0.55 8.53 8.20 2ja7P1 ASN 199 HA 0.01 -0.00 0.42 -0.75 4.76 4.44 2ja7P1 ASN 199 HB2 0.02 0.13 -0.19 -0.04 2.88 2.79 2ja7P1 ASN 199 HB3 0.01 -0.01 -0.02 -0.04 2.79 2.74 2ja7P1 ASN 199 HD21 0.01 -0.05 0.11 -0.04 7.03 7.06 2ja7P1 ASN 199 HD22 0.02 0.18 0.10 -0.04 7.74 7.99 2ja7P1 ASN 200 H 0.02 0.38 0.39 -0.55 8.53 8.77 2ja7P1 ASN 200 HA 0.01 0.20 1.11 -0.75 4.76 5.32 2ja7P1 ASN 200 HB2 0.01 0.05 0.11 -0.04 2.88 3.01 2ja7P1 ASN 200 HB3 0.01 -0.03 0.20 -0.04 2.79 2.94 2ja7P1 ASN 200 HD21 0.01 -0.01 -0.04 -0.04 7.03 6.95 2ja7P1 ASN 200 HD22 0.01 0.05 -0.00 -0.04 7.74 7.76 2ja7P1 LYS 201 H 0.02 0.37 -0.10 -0.55 8.42 8.16 2ja7P1 LYS 201 HA 0.01 0.21 0.83 -0.75 4.32 4.61 2ja7P1 LYS 201 HB2 0.02 -0.07 0.07 -0.04 1.87 1.86 2ja7P1 LYS 201 HB3 0.02 0.01 0.15 -0.04 1.79 1.94 2ja7P1 LYS 201 HG2 0.02 -0.00 -0.07 -0.04 1.46 1.37 2ja7P1 LYS 201 HG3 0.02 0.22 0.15 -0.04 1.46 1.81 2ja7P1 LYS 201 HD2 0.04 -0.05 0.06 -0.04 1.69 1.70 2ja7P1 LYS 201 HD3 0.03 0.00 0.03 -0.04 1.68 1.71 2ja7P1 LYS 201 HE2 0.02 -0.01 0.01 -0.04 2.99 2.97 2ja7P1 LYS 201 HE3 0.03 0.05 0.04 -0.04 2.99 3.06 2ja7P1 ILE 202 H 0.01 0.23 -0.31 -0.55 8.25 7.63 2ja7P1 ILE 202 HA 0.01 0.09 0.49 -0.75 4.18 4.01 2ja7P1 ILE 202 HB 0.01 0.12 -0.49 -0.04 1.89 1.49 2ja7P1 ILE 202 HG12 0.01 -0.12 0.03 -0.04 1.49 1.37 2ja7P1 ILE 202 HG13 0.01 0.16 0.12 -0.04 1.21 1.46 2ja7P1 ILE 202 HG23 0.01 -0.03 -0.25 -0.04 0.93 0.62 2ja7P1 ILE 202 HD13 0.00 -0.01 -0.09 -0.04 0.88 0.74 2ja7P1 SER 203 H 0.01 0.18 0.10 -0.55 8.46 8.20 2ja7P1 SER 203 HA 0.01 0.13 0.51 -0.75 4.49 4.38 2ja7P1 SER 203 HB2 0.00 -0.02 0.08 -0.04 3.95 3.98 2ja7P1 SER 203 HB3 0.00 0.14 0.13 -0.04 3.93 4.16 2ja7P1 ASP 204 H 0.00 0.23 0.19 -0.55 8.40 8.28 2ja7P1 ASP 204 HA 0.00 0.08 0.30 -0.75 4.63 4.26 2ja7P1 ASP 204 HB2 0.00 -0.01 0.11 -0.04 2.71 2.77 2ja7P1 ASP 204 HB3 0.00 -0.04 0.05 -0.04 2.70 2.67 2ja7P1 ASP 205 H 0.00 0.07 -0.27 -0.55 8.40 7.66 2ja7P1 ASP 205 HA 0.00 0.09 0.38 -0.75 4.63 4.35 2ja7P1 ASP 205 HB2 0.00 -0.06 0.09 -0.04 2.71 2.70 2ja7P1 ASP 205 HB3 0.00 0.08 -0.00 -0.04 2.70 2.73 2ja7P1 GLU 206 H 0.00 0.08 -0.10 -0.55 8.60 8.04 2ja7P1 GLU 206 HA 0.00 0.05 0.36 -0.75 4.29 3.95 2ja7P1 GLU 206 HB2 0.00 0.09 0.19 -0.04 2.09 2.33 2ja7P1 GLU 206 HB3 0.00 0.06 -0.04 -0.04 1.99 1.97 2ja7P1 GLU 206 HG2 0.00 -0.04 0.07 -0.04 2.34 2.33 2ja7P1 GLU 206 HG3 0.00 -0.04 0.08 -0.04 2.34 2.35 2ja7P1 LEU 207 H 0.00 0.47 -0.18 -0.55 8.37 8.12 2ja7P1 LEU 207 HA 0.00 0.03 0.34 -0.75 4.35 3.97 2ja7P1 LEU 207 HB2 0.00 -0.00 -0.06 -0.04 1.64 1.54 2ja7P1 LEU 207 HB3 0.00 0.05 -0.04 -0.04 1.64 1.62 2ja7P1 LEU 207 HG 0.00 0.02 -0.21 -0.04 1.64 1.40 2ja7P1 LEU 207 HD13 0.00 -0.00 0.01 -0.04 0.93 0.89 2ja7P1 LEU 207 HD23 0.00 -0.02 -0.02 -0.04 0.89 0.81 2ja7P1 GLU 208 H 0.00 0.41 -0.56 -0.55 8.60 7.91 2ja7P1 GLU 208 HA 0.00 0.03 0.37 -0.75 4.29 3.94 2ja7P1 GLU 208 HB2 0.00 0.16 0.18 -0.04 2.09 2.39 2ja7P1 GLU 208 HB3 0.00 0.06 0.10 -0.04 1.99 2.11 2ja7P1 GLU 208 HG2 0.00 -0.02 0.01 -0.04 2.34 2.29 2ja7P1 GLU 208 HG3 -0.00 0.09 0.09 -0.04 2.34 2.47 2ja7P1 ARG 209 H 0.00 0.50 -0.01 -0.55 8.46 8.40 2ja7P1 ARG 209 HA 0.00 0.02 0.46 -0.75 4.34 4.06 2ja7P1 ARG 209 HB2 0.00 0.16 0.21 -0.04 1.90 2.23 2ja7P1 ARG 209 HB3 0.00 -0.03 -0.00 -0.04 1.80 1.72 2ja7P1 ARG 209 HG2 0.00 -0.03 0.02 -0.04 1.67 1.63 2ja7P1 ARG 209 HG3 0.00 0.07 -0.02 -0.04 1.67 1.68 2ja7P1 ARG 209 HD2 0.00 -0.02 -0.00 -0.04 3.22 3.16 2ja7P1 ARG 209 HD3 0.00 0.01 -0.01 -0.04 3.22 3.19 2ja7P1 ILE 210 H 0.00 0.47 -0.11 -0.55 8.25 8.06 2ja7P1 ILE 210 HA 0.01 0.01 0.34 -0.75 4.18 3.79 2ja7P1 ILE 210 HB 0.00 0.15 0.15 -0.04 1.89 2.15 2ja7P1 ILE 210 HG12 0.00 -0.00 -0.04 -0.04 1.49 1.41 2ja7P1 ILE 210 HG13 0.00 0.10 0.00 -0.04 1.21 1.28 2ja7P1 ILE 210 HG23 0.00 -0.00 -0.17 -0.04 0.93 0.72 2ja7P1 ILE 210 HD13 -0.00 -0.02 -0.08 -0.04 0.88 0.74 2ja7P1 LEU 211 H 0.00 0.55 -0.13 -0.55 8.37 8.25 2ja7P1 LEU 211 HA 0.01 0.01 0.35 -0.75 4.35 3.96 2ja7P1 LEU 211 HB2 0.00 0.08 0.08 -0.04 1.64 1.76 2ja7P1 LEU 211 HB3 0.00 0.19 0.09 -0.04 1.64 1.88 2ja7P1 LEU 211 HG 0.00 0.23 0.11 -0.04 1.64 1.94 2ja7P1 LEU 211 HD13 -0.00 -0.08 -0.32 -0.04 0.93 0.49 2ja7P1 LEU 211 HD23 0.00 -0.02 0.03 -0.04 0.89 0.86 2ja7P1 LYS 212 H 0.00 0.36 -0.56 -0.55 8.42 7.67 2ja7P1 LYS 212 HA 0.00 -0.01 0.50 -0.75 4.32 4.06 2ja7P1 LYS 212 HB2 0.00 0.25 0.30 -0.04 1.87 2.39 2ja7P1 LYS 212 HB3 0.00 -0.09 0.05 -0.04 1.79 1.71 2ja7P1 LYS 212 HG2 -0.00 -0.08 0.07 -0.04 1.46 1.41 2ja7P1 LYS 212 HG3 0.00 0.37 0.14 -0.04 1.46 1.93 2ja7P1 LYS 212 HD2 0.00 -0.04 0.04 -0.04 1.69 1.64 2ja7P1 LYS 212 HD3 0.00 -0.04 0.02 -0.04 1.68 1.62 2ja7P1 LYS 212 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.92 2ja7P1 LYS 212 HE3 0.00 0.01 -0.09 -0.04 2.99 2.87 2ja7P1 GLU 213 H 0.01 0.61 0.13 -0.55 8.60 8.80 2ja7P1 GLU 213 HA 0.01 -0.03 0.33 -0.75 4.29 3.86 2ja7P1 GLU 213 HB2 0.01 0.11 0.14 -0.04 2.09 2.31 2ja7P1 GLU 213 HB3 0.02 -0.05 0.06 -0.04 1.99 1.97 2ja7P1 GLU 213 HG2 0.01 -0.04 0.03 -0.04 2.34 2.30 2ja7P1 GLU 213 HG3 0.01 0.01 0.00 -0.04 2.34 2.31 2ja7P1 LEU 214 H 0.02 0.31 -0.88 -0.55 8.37 7.28 2ja7P1 LEU 214 HA 0.08 0.05 0.64 -0.75 4.35 4.37 2ja7P1 LEU 214 HB2 0.03 0.20 0.22 -0.04 1.64 2.05 2ja7P1 LEU 214 HB3 0.07 -0.02 0.04 -0.04 1.64 1.69 2ja7P1 LEU 214 HG 0.03 0.18 -0.24 -0.04 1.64 1.57 2ja7P1 LEU 214 HD13 0.04 -0.02 -0.05 -0.04 0.93 0.86 2ja7P1 LEU 214 HD23 0.05 -0.04 -0.15 -0.04 0.89 0.71 2ja7P1 SER 215 H 0.01 0.54 0.20 -0.55 8.46 8.66 2ja7P1 SER 215 HA -0.03 0.02 0.43 -0.75 4.49 4.16 2ja7P1 SER 215 HB2 -0.02 -0.05 0.14 -0.04 3.95 3.97 2ja7P1 SER 215 HB3 -0.02 -0.00 0.19 -0.04 3.93 4.06 2ja7P1 ASN 216 H 0.02 0.24 -0.79 -0.55 8.53 7.44 2ja7P1 ASN 216 HA 0.01 0.06 0.55 -0.75 4.76 4.63 2ja7P1 ASN 216 HB2 0.02 0.05 0.02 -0.04 2.88 2.92 2ja7P1 ASN 216 HB3 0.02 -0.05 -0.04 -0.04 2.79 2.67 2ja7P1 ASN 216 HD21 0.00 -0.05 -0.03 -0.04 7.03 6.91 2ja7P1 ASN 216 HD22 0.01 -0.02 -0.02 -0.04 7.74 7.67 2ja7P1 LEU 217 H 0.06 0.44 -0.13 -0.55 8.37 8.18 2ja7P1 LEU 217 HA 0.07 0.05 0.73 -0.75 4.35 4.45 2ja7P1 LEU 217 HB2 0.19 0.08 0.17 -0.04 1.64 2.04 2ja7P1 LEU 217 HB3 0.16 -0.15 0.11 -0.04 1.64 1.72 2ja7P1 LEU 217 HG 0.05 0.49 0.15 -0.04 1.64 2.29 2ja7P1 LEU 217 HD13 0.03 -0.05 -0.06 -0.04 0.93 0.81 2ja7P1 LEU 217 HD23 0.04 -0.03 -0.05 -0.04 0.89 0.81 2ja7P1 GLU 218 H 0.03 0.53 0.03 -0.55 8.60 8.65 2ja7P1 GLU 218 HA -0.30 0.04 0.45 -0.75 4.29 3.72 2ja7P1 GLU 218 HB2 -0.10 -0.02 0.06 -0.04 2.09 1.99 2ja7P1 GLU 218 HB3 -0.08 0.08 0.15 -0.04 1.99 2.10 2ja7P1 GLU 218 HG2 -0.18 0.06 -0.19 -0.04 2.34 1.99 2ja7P1 GLU 218 HG3 -0.32 0.06 0.03 -0.04 2.34 2.07 2ja7P1 THR 219 H -0.13 0.07 0.37 -0.55 8.28 8.05 2ja7P1 THR 219 HA 0.01 -0.01 0.44 -0.75 4.39 4.08 2ja7P1 THR 219 HB 0.01 -0.02 0.15 -0.04 4.32 4.41 2ja7P1 THR 219 HG23 0.06 0.04 -0.08 -0.04 1.22 1.20 2ja7P1 LEU 220 H 0.02 0.00 0.14 -0.55 8.37 7.99 2ja7P1 LEU 220 HA 0.01 0.15 0.35 -0.75 4.35 4.11 2ja7P1 LEU 220 HB2 0.03 -0.01 0.09 -0.04 1.64 1.71 2ja7P1 LEU 220 HB3 0.04 -0.27 0.21 -0.04 1.64 1.57 2ja7P1 LEU 220 HG 0.01 0.07 0.10 -0.04 1.64 1.77 2ja7P1 LEU 220 HD13 0.01 -0.01 0.04 -0.04 0.93 0.93 2ja7P1 LEU 220 HD23 -0.01 0.02 0.02 -0.04 0.89 0.88 2ja7P1 TYR 221 H 0.11 0.05 0.05 -0.55 8.29 7.94 2ja7P1 TYR 221 HA -0.04 0.16 0.44 -0.75 4.56 4.37 2ja7P1 TYR 221 HB2 -0.06 0.02 -0.16 -0.04 3.06 2.81 2ja7P1 TYR 221 HB3 -0.05 -0.03 0.04 -0.04 2.98 2.89 2ja7P1 TYR 221 HD2 -0.06 0.30 0.04 -0.04 7.15 7.39 2ja7P1 TYR 221 HE2 -0.07 -0.03 -0.02 -0.04 6.85 6.68