============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 3 1.000 -27.332 -7.673 39.407 -99.200 -91.000 PHE 5 1.000 -21.148 -9.832 39.409 -99.200 -91.000 TYR 19 0.840 -3.706 -0.507 26.906 -99.200 -91.000 PHE 37 1.000 -12.403 -9.913 10.399 -99.200 -91.000 PHE 57 1.000 -19.484 -14.178 15.797 -99.200 -91.000 PHE 65 1.000 -24.547 -7.416 14.650 -99.200 -91.000 HIS 68 0.900 -16.647 -5.892 20.887 -99.200 -91.000 TYR 80 0.840 -9.769 -1.911 26.735 -99.200 -91.000 TYR 82 0.840 -14.599 -4.046 26.372 -99.200 -91.000 PHE 99 1.000 -17.746 -7.099 29.289 -99.200 -91.000 TYR 119 0.840 -26.257 -8.597 32.723 -99.200 -91.000 PHE 143 1.000 -6.655 -11.586 28.211 -99.200 -91.000 TYR 149 0.840 -1.705 -13.138 16.071 -99.200 -91.000 HIS 153 0.900 1.753 -15.326 15.604 -99.200 -91.000 TYR 156 0.840 2.292 -7.502 18.728 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k7hA2 GLY 1 HA2 -0.12 -0.11 0.23 -0.51 4.01 3.51 2k7hA2 GLY 1 HA3 -0.14 -0.02 0.15 -0.51 4.01 3.49 2k7hA2 VAL 2 H -0.16 0.12 0.14 -0.55 8.24 7.78 2k7hA2 VAL 2 HA -0.07 0.25 1.07 -0.75 4.13 4.63 2k7hA2 VAL 2 HB 0.01 0.08 -0.23 -0.04 2.12 1.94 2k7hA2 VAL 2 HG13 -0.06 0.02 -0.30 -0.04 0.97 0.60 2k7hA2 VAL 2 HG23 -0.06 -0.03 -0.28 -0.04 0.95 0.54 2k7hA2 PHE 3 H 0.28 0.49 0.32 -0.55 8.34 8.88 2k7hA2 PHE 3 HA -0.18 0.07 0.63 -0.75 4.62 4.39 2k7hA2 PHE 3 HB2 0.18 -0.05 0.22 -0.04 3.15 3.47 2k7hA2 PHE 3 HB3 -0.15 -0.01 0.00 -0.04 3.06 2.86 2k7hA2 PHE 3 HD2 0.03 0.03 0.05 -0.04 7.28 7.36 2k7hA2 PHE 3 HE2 0.03 0.02 0.02 -0.04 7.38 7.41 2k7hA2 PHE 3 HZ 0.01 0.02 -0.00 -0.04 7.32 7.30 2k7hA2 THR 4 H -0.27 0.19 0.24 -0.55 8.28 7.89 2k7hA2 THR 4 HA -0.05 0.48 1.17 -0.75 4.39 5.24 2k7hA2 THR 4 HB -0.14 -0.04 0.20 -0.04 4.32 4.30 2k7hA2 THR 4 HG23 -0.05 0.00 -0.08 -0.04 1.22 1.05 2k7hA2 PHE 5 H 0.16 0.54 0.37 -0.55 8.34 8.84 2k7hA2 PHE 5 HA 0.03 0.19 0.94 -0.75 4.62 5.03 2k7hA2 PHE 5 HB2 0.03 -0.05 0.07 -0.04 3.15 3.17 2k7hA2 PHE 5 HB3 0.02 0.01 0.07 -0.04 3.06 3.12 2k7hA2 PHE 5 HD2 0.04 0.05 -0.05 -0.04 7.28 7.28 2k7hA2 PHE 5 HE2 0.01 0.00 -0.07 -0.04 7.38 7.28 2k7hA2 PHE 5 HZ -0.08 -0.00 -0.07 -0.04 7.32 7.12 2k7hA2 GLU 6 H 0.19 0.18 0.22 -0.55 8.60 8.64 2k7hA2 GLU 6 HA 0.07 0.41 1.21 -0.75 4.29 5.22 2k7hA2 GLU 6 HB2 0.05 -0.06 0.12 -0.04 2.09 2.16 2k7hA2 GLU 6 HB3 0.03 0.01 0.02 -0.04 1.99 2.01 2k7hA2 GLU 6 HG2 0.02 0.06 0.02 -0.04 2.34 2.39 2k7hA2 GLU 6 HG3 0.02 -0.01 -0.32 -0.04 2.34 1.99 2k7hA2 ASP 7 H 0.04 0.91 0.47 -0.55 8.40 9.28 2k7hA2 ASP 7 HA 0.02 0.17 0.94 -0.75 4.63 5.01 2k7hA2 ASP 7 HB2 0.03 -0.04 -0.16 -0.04 2.71 2.50 2k7hA2 ASP 7 HB3 -0.01 0.01 -0.08 -0.04 2.70 2.58 2k7hA2 GLU 8 H -0.01 0.15 0.20 -0.55 8.60 8.40 2k7hA2 GLU 8 HA -0.01 0.21 1.02 -0.75 4.29 4.76 2k7hA2 GLU 8 HB2 -0.01 -0.03 0.13 -0.04 2.09 2.14 2k7hA2 GLU 8 HB3 -0.01 0.07 0.06 -0.04 1.99 2.07 2k7hA2 GLU 8 HG2 0.00 0.07 -0.01 -0.04 2.34 2.36 2k7hA2 GLU 8 HG3 0.00 -0.07 -0.06 -0.04 2.34 2.18 2k7hA2 ILE 9 H -0.02 0.41 0.20 -0.55 8.25 8.28 2k7hA2 ILE 9 HA -0.12 0.17 0.90 -0.75 4.18 4.37 2k7hA2 ILE 9 HB -0.04 -0.01 -0.07 -0.04 1.89 1.73 2k7hA2 ILE 9 HG12 -0.19 0.03 -0.25 -0.04 1.49 1.04 2k7hA2 ILE 9 HG13 -0.06 -0.08 -0.49 -0.04 1.21 0.54 2k7hA2 ILE 9 HG23 -0.24 -0.01 -0.16 -0.04 0.93 0.47 2k7hA2 ILE 9 HD13 -0.05 0.04 -0.21 -0.04 0.88 0.61 2k7hA2 ASN 10 H -0.05 0.23 0.13 -0.55 8.53 8.30 2k7hA2 ASN 10 HA 0.04 0.42 0.81 -0.75 4.76 5.27 2k7hA2 ASN 10 HB2 0.02 -0.04 -0.02 -0.04 2.88 2.81 2k7hA2 ASN 10 HB3 0.03 0.01 0.03 -0.04 2.79 2.82 2k7hA2 ASN 10 HD21 0.02 0.04 0.15 -0.04 7.03 7.19 2k7hA2 ASN 10 HD22 0.01 -0.09 0.01 -0.04 7.74 7.63 2k7hA2 SER 11 H 0.08 0.40 0.27 -0.55 8.46 8.66 2k7hA2 SER 11 HA 0.11 0.19 0.70 -0.75 4.49 4.73 2k7hA2 SER 11 HB2 0.15 -0.01 -0.03 -0.04 3.95 4.02 2k7hA2 SER 11 HB3 0.18 0.04 0.08 -0.04 3.93 4.19 2k7hA2 PRO 12 HA 0.04 0.09 0.37 -0.51 4.44 4.43 2k7hA2 PRO 12 HB2 0.02 0.07 0.04 -0.04 2.28 2.37 2k7hA2 PRO 12 HB3 0.03 0.02 0.08 -0.04 2.02 2.11 2k7hA2 PRO 12 HG2 0.03 0.06 -0.02 -0.04 2.03 2.06 2k7hA2 PRO 12 HG3 0.03 0.05 0.04 -0.04 2.03 2.11 2k7hA2 PRO 12 HD2 0.07 0.09 0.21 -0.04 3.68 4.01 2k7hA2 PRO 12 HD3 0.06 0.15 0.13 -0.04 3.65 3.94 2k7hA2 VAL 13 H 0.06 -0.06 -0.59 -0.55 8.24 7.11 2k7hA2 VAL 13 HA 0.05 0.19 0.67 -0.75 4.13 4.29 2k7hA2 VAL 13 HB 0.04 0.05 -0.05 -0.04 2.12 2.12 2k7hA2 VAL 13 HG13 0.05 -0.02 -0.16 -0.04 0.97 0.80 2k7hA2 VAL 13 HG23 0.08 -0.01 -0.06 -0.04 0.95 0.92 2k7hA2 ALA 14 H 0.06 0.17 0.11 -0.55 8.40 8.19 2k7hA2 ALA 14 HA 0.05 0.19 0.31 -0.75 4.34 4.14 2k7hA2 ALA 14 HB3 0.04 -0.03 0.11 -0.04 1.41 1.49 2k7hA2 PRO 15 HA 0.11 0.11 0.35 -0.51 4.44 4.51 2k7hA2 PRO 15 HB2 0.05 0.09 -0.19 -0.04 2.28 2.19 2k7hA2 PRO 15 HB3 0.07 -0.03 0.06 -0.04 2.02 2.07 2k7hA2 PRO 15 HG2 0.03 -0.03 0.05 -0.04 2.03 2.04 2k7hA2 PRO 15 HG3 0.04 0.10 0.05 -0.04 2.03 2.17 2k7hA2 PRO 15 HD2 0.04 0.06 0.16 -0.04 3.68 3.90 2k7hA2 PRO 15 HD3 0.05 0.35 -0.25 -0.04 3.65 3.76 2k7hA2 ALA 16 H 0.06 0.16 -0.16 -0.55 8.40 7.90 2k7hA2 ALA 16 HA 0.09 0.16 0.50 -0.75 4.34 4.34 2k7hA2 ALA 16 HB3 0.03 0.03 0.05 -0.04 1.41 1.47 2k7hA2 THR 17 H 0.07 0.06 -0.32 -0.55 8.28 7.55 2k7hA2 THR 17 HA 0.05 0.13 0.48 -0.75 4.39 4.30 2k7hA2 THR 17 HB 0.10 0.07 0.04 -0.04 4.32 4.48 2k7hA2 THR 17 HG23 0.13 0.16 -0.21 -0.04 1.22 1.26 2k7hA2 LEU 18 H 0.12 0.46 -0.24 -0.55 8.37 8.16 2k7hA2 LEU 18 HA 0.07 0.09 0.30 -0.75 4.35 4.06 2k7hA2 LEU 18 HB2 0.08 0.02 -0.08 -0.04 1.64 1.61 2k7hA2 LEU 18 HB3 0.14 0.02 0.00 -0.04 1.64 1.76 2k7hA2 LEU 18 HG 0.13 0.00 -0.43 -0.04 1.64 1.30 2k7hA2 LEU 18 HD13 -0.13 -0.00 -0.12 -0.04 0.93 0.63 2k7hA2 LEU 18 HD23 0.15 -0.00 -0.17 -0.04 0.89 0.83 2k7hA2 TYR 19 H 0.22 0.39 -0.36 -0.55 8.29 7.98 2k7hA2 TYR 19 HA 0.05 0.05 0.36 -0.75 4.56 4.27 2k7hA2 TYR 19 HB2 0.08 0.16 0.17 -0.04 3.06 3.43 2k7hA2 TYR 19 HB3 0.05 0.02 0.15 -0.04 2.98 3.15 2k7hA2 TYR 19 HD2 0.09 0.05 -0.09 -0.04 7.15 7.17 2k7hA2 TYR 19 HE2 0.20 -0.08 -0.33 -0.04 6.85 6.60 2k7hA2 LYS 20 H 0.16 0.45 -0.27 -0.55 8.42 8.20 2k7hA2 LYS 20 HA -0.05 -0.04 0.45 -0.75 4.32 3.93 2k7hA2 LYS 20 HB2 0.09 0.11 0.16 -0.04 1.87 2.18 2k7hA2 LYS 20 HB3 0.08 0.12 0.12 -0.04 1.79 2.07 2k7hA2 LYS 20 HG2 0.01 0.05 -0.02 -0.04 1.46 1.46 2k7hA2 LYS 20 HG3 0.02 -0.09 -0.07 -0.04 1.46 1.27 2k7hA2 LYS 20 HD2 0.03 -0.08 0.07 -0.04 1.69 1.67 2k7hA2 LYS 20 HD3 0.05 0.03 0.03 -0.04 1.68 1.75 2k7hA2 LYS 20 HE2 0.00 0.04 -0.01 -0.04 2.99 2.98 2k7hA2 LYS 20 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.93 2k7hA2 ALA 21 H 0.11 0.61 -0.22 -0.55 8.40 8.36 2k7hA2 ALA 21 HA -0.00 -0.05 0.38 -0.75 4.34 3.91 2k7hA2 ALA 21 HB3 -0.11 0.08 -0.01 -0.04 1.41 1.33 2k7hA2 LEU 22 H -0.13 0.22 -0.76 -0.55 8.37 7.15 2k7hA2 LEU 22 HA -0.20 0.07 0.45 -0.75 4.35 3.91 2k7hA2 LEU 22 HB2 -0.08 0.14 0.02 -0.04 1.64 1.69 2k7hA2 LEU 22 HB3 -0.27 0.01 0.14 -0.04 1.64 1.48 2k7hA2 LEU 22 HG -0.34 -0.03 -0.29 -0.04 1.64 0.93 2k7hA2 LEU 22 HD13 -0.11 -0.01 -0.04 -0.04 0.93 0.72 2k7hA2 LEU 22 HD23 0.23 -0.02 -0.13 -0.04 0.89 0.93 2k7hA2 VAL 23 H -0.44 0.56 0.01 -0.55 8.24 7.82 2k7hA2 VAL 23 HA -0.40 0.15 0.73 -0.75 4.13 3.85 2k7hA2 VAL 23 HB -0.55 -0.00 0.10 -0.04 2.12 1.62 2k7hA2 VAL 23 HG13 -0.26 -0.01 -0.11 -0.04 0.97 0.55 2k7hA2 VAL 23 HG23 -0.98 0.01 -0.11 -0.04 0.95 -0.17 2k7hA2 THR 24 H -0.23 0.26 0.18 -0.55 8.28 7.94 2k7hA2 THR 24 HA -0.09 0.03 0.46 -0.75 4.39 4.03 2k7hA2 THR 24 HB -0.04 0.10 0.08 -0.04 4.32 4.42 2k7hA2 THR 24 HG23 -0.03 -0.02 0.01 -0.04 1.22 1.14 2k7hA2 ASP 25 H -0.11 0.44 -0.07 -0.55 8.40 8.11 2k7hA2 ASP 25 HA -0.10 0.13 0.67 -0.75 4.63 4.57 2k7hA2 ASP 25 HB2 -0.16 0.17 0.12 -0.04 2.71 2.80 2k7hA2 ASP 25 HB3 -0.17 -0.04 0.08 -0.04 2.70 2.53 2k7hA2 ALA 26 H -0.17 0.16 -1.12 -0.55 8.40 6.72 2k7hA2 ALA 26 HA -0.19 0.10 0.35 -0.75 4.34 3.84 2k7hA2 ALA 26 HB3 -0.19 0.02 0.09 -0.04 1.41 1.29 2k7hA2 ASP 27 H -0.11 0.24 -0.25 -0.55 8.40 7.74 2k7hA2 ASP 27 HA -0.08 0.04 0.38 -0.75 4.63 4.21 2k7hA2 ASP 27 HB2 -0.07 0.04 -0.01 -0.04 2.71 2.64 2k7hA2 ASP 27 HB3 -0.05 0.01 0.01 -0.04 2.70 2.62 2k7hA2 ASN 28 H -0.15 0.09 -0.66 -0.55 8.53 7.27 2k7hA2 ASN 28 HA -0.19 0.10 0.59 -0.75 4.76 4.51 2k7hA2 ASN 28 HB2 -0.16 0.02 0.12 -0.04 2.88 2.82 2k7hA2 ASN 28 HB3 -0.16 -0.01 0.03 -0.04 2.79 2.60 2k7hA2 ASN 28 HD21 -0.06 -0.01 -0.02 -0.04 7.03 6.90 2k7hA2 ASN 28 HD22 -0.05 -0.01 -0.02 -0.04 7.74 7.61 2k7hA2 VAL 29 H -0.24 0.79 -0.00 -0.55 8.24 8.24 2k7hA2 VAL 29 HA -0.48 0.04 0.57 -0.75 4.13 3.50 2k7hA2 VAL 29 HB -0.25 0.08 0.11 -0.04 2.12 2.02 2k7hA2 VAL 29 HG13 -0.32 -0.05 -0.06 -0.04 0.97 0.51 2k7hA2 VAL 29 HG23 -0.38 0.06 -0.07 -0.04 0.95 0.52 2k7hA2 ILE 30 H -0.21 0.59 -0.06 -0.55 8.25 8.02 2k7hA2 ILE 30 HA -0.10 -0.05 0.34 -0.75 4.18 3.61 2k7hA2 ILE 30 HB -0.17 0.14 0.08 -0.04 1.89 1.89 2k7hA2 ILE 30 HG12 0.03 -0.10 -0.03 -0.04 1.49 1.35 2k7hA2 ILE 30 HG13 -0.10 0.09 0.08 -0.04 1.21 1.24 2k7hA2 ILE 30 HG23 0.16 -0.04 -0.15 -0.04 0.93 0.87 2k7hA2 ILE 30 HD13 0.00 -0.04 -0.22 -0.04 0.88 0.58 2k7hA2 PRO 31 HA -1.53 0.01 0.31 -0.51 4.44 2.72 2k7hA2 PRO 31 HB2 -0.42 0.03 -0.06 -0.04 2.28 1.78 2k7hA2 PRO 31 HB3 -1.23 -0.06 0.02 -0.04 2.02 0.71 2k7hA2 PRO 31 HG2 -0.33 0.30 -0.04 -0.04 2.03 1.92 2k7hA2 PRO 31 HG3 -0.36 0.04 0.12 -0.04 2.03 1.78 2k7hA2 PRO 31 HD2 -0.33 -0.20 -1.06 -0.04 3.68 2.05 2k7hA2 PRO 31 HD3 -0.47 0.18 0.02 -0.04 3.65 3.34 2k7hA2 LYS 32 H -0.29 0.18 -0.66 -0.55 8.42 7.11 2k7hA2 LYS 32 HA -0.02 0.17 0.77 -0.75 4.32 4.48 2k7hA2 LYS 32 HB2 -0.43 -0.02 0.11 -0.04 1.87 1.49 2k7hA2 LYS 32 HB3 0.15 -0.06 0.00 -0.04 1.79 1.84 2k7hA2 LYS 32 HG2 -0.11 -0.02 -0.20 -0.04 1.46 1.08 2k7hA2 LYS 32 HG3 -0.26 0.41 0.06 -0.04 1.46 1.63 2k7hA2 LYS 32 HD2 -0.30 -0.02 -0.04 -0.04 1.69 1.29 2k7hA2 LYS 32 HD3 0.05 -0.04 -0.03 -0.04 1.68 1.62 2k7hA2 LYS 32 HE2 -0.13 0.03 -0.01 -0.04 2.99 2.84 2k7hA2 LYS 32 HE3 -0.06 -0.07 -0.03 -0.04 2.99 2.78 2k7hA2 ALA 33 H -0.19 0.97 0.19 -0.55 8.40 8.81 2k7hA2 ALA 33 HA 0.07 0.01 0.36 -0.75 4.34 4.03 2k7hA2 ALA 33 HB3 -0.09 -0.04 -0.04 -0.04 1.41 1.20 2k7hA2 LEU 34 H -0.02 0.46 -0.18 -0.55 8.37 8.09 2k7hA2 LEU 34 HA 0.05 -0.04 0.55 -0.75 4.35 4.15 2k7hA2 LEU 34 HB2 0.10 -0.06 0.06 -0.04 1.64 1.70 2k7hA2 LEU 34 HB3 0.24 0.20 0.15 -0.04 1.64 2.20 2k7hA2 LEU 34 HG 0.19 -0.15 -0.39 -0.04 1.64 1.24 2k7hA2 LEU 34 HD13 0.04 -0.02 -0.02 -0.04 0.93 0.89 2k7hA2 LEU 34 HD23 0.28 -0.01 -0.10 -0.04 0.89 1.03 2k7hA2 ASP 35 H 0.06 0.16 0.20 -0.55 8.40 8.27 2k7hA2 ASP 35 HA 0.07 0.19 0.36 -0.75 4.63 4.51 2k7hA2 ASP 35 HB2 0.05 -0.12 0.16 -0.04 2.71 2.76 2k7hA2 ASP 35 HB3 0.05 -0.01 0.02 -0.04 2.70 2.72 2k7hA2 SER 36 H 0.10 0.02 -0.16 -0.55 8.46 7.88 2k7hA2 SER 36 HA 0.08 0.22 0.62 -0.75 4.49 4.65 2k7hA2 SER 36 HB2 0.06 -0.02 0.16 -0.04 3.95 4.11 2k7hA2 SER 36 HB3 0.07 -0.02 0.06 -0.04 3.93 4.01 2k7hA2 PHE 37 H 0.23 0.51 -0.83 -0.55 8.34 7.69 2k7hA2 PHE 37 HA 0.09 -0.09 0.44 -0.75 4.62 4.30 2k7hA2 PHE 37 HB2 0.03 0.08 0.10 -0.04 3.15 3.32 2k7hA2 PHE 37 HB3 0.02 0.19 0.15 -0.04 3.06 3.38 2k7hA2 PHE 37 HD2 0.03 0.03 -0.23 -0.04 7.28 7.07 2k7hA2 PHE 37 HE2 0.02 -0.03 -0.19 -0.04 7.38 7.14 2k7hA2 PHE 37 HZ 0.01 -0.10 -0.33 -0.04 7.32 6.87 2k7hA2 LYS 38 H -0.53 0.32 0.38 -0.55 8.42 8.04 2k7hA2 LYS 38 HA -0.15 0.14 0.71 -0.75 4.32 4.26 2k7hA2 LYS 38 HB2 -0.16 -0.01 0.03 -0.04 1.87 1.69 2k7hA2 LYS 38 HB3 -0.28 -0.03 0.12 -0.04 1.79 1.56 2k7hA2 LYS 38 HG2 -0.14 -0.01 -0.21 -0.04 1.46 1.06 2k7hA2 LYS 38 HG3 -0.09 0.01 0.02 -0.04 1.46 1.35 2k7hA2 LYS 38 HD2 -0.10 -0.02 -0.07 -0.04 1.69 1.47 2k7hA2 LYS 38 HD3 -0.12 -0.02 -0.08 -0.04 1.68 1.42 2k7hA2 LYS 38 HE2 -0.07 -0.01 -0.07 -0.04 2.99 2.80 2k7hA2 LYS 38 HE3 -0.06 0.01 -0.04 -0.04 2.99 2.86 2k7hA2 SER 39 H -0.97 0.26 0.29 -0.55 8.46 7.49 2k7hA2 SER 39 HA -0.03 0.11 0.38 -0.75 4.49 4.20 2k7hA2 SER 39 HB2 -0.00 -0.04 0.12 -0.04 3.95 4.00 2k7hA2 SER 39 HB3 -0.10 0.25 -0.17 -0.04 3.93 3.87 2k7hA2 VAL 40 H 0.20 0.25 0.18 -0.55 8.24 8.32 2k7hA2 VAL 40 HA 0.10 0.16 1.00 -0.75 4.13 4.64 2k7hA2 VAL 40 HB 0.47 -0.00 -0.06 -0.04 2.12 2.49 2k7hA2 VAL 40 HG13 0.19 -0.00 0.06 -0.04 0.97 1.18 2k7hA2 VAL 40 HG23 0.11 -0.00 -0.10 -0.04 0.95 0.92 2k7hA2 GLU 41 H 0.04 0.49 0.26 -0.55 8.60 8.85 2k7hA2 GLU 41 HA 0.03 0.14 0.93 -0.75 4.29 4.64 2k7hA2 GLU 41 HB2 -0.02 -0.03 -0.00 -0.04 2.09 2.00 2k7hA2 GLU 41 HB3 -0.00 0.05 0.04 -0.04 1.99 2.03 2k7hA2 GLU 41 HG2 0.00 -0.20 -0.75 -0.04 2.34 1.35 2k7hA2 GLU 41 HG3 -0.03 -0.00 -0.15 -0.04 2.34 2.12 2k7hA2 ASN 42 H 0.02 0.15 0.16 -0.55 8.53 8.31 2k7hA2 ASN 42 HA 0.03 -0.03 0.72 -0.75 4.76 4.72 2k7hA2 ASN 42 HB2 0.01 0.00 0.10 -0.04 2.88 2.96 2k7hA2 ASN 42 HB3 0.02 0.10 0.03 -0.04 2.79 2.90 2k7hA2 ASN 42 HD21 0.01 0.03 -0.02 -0.04 7.03 7.01 2k7hA2 ASN 42 HD22 0.01 0.01 -0.03 -0.04 7.74 7.68 2k7hA2 VAL 43 H 0.02 0.30 0.27 -0.55 8.24 8.28 2k7hA2 VAL 43 HA -0.00 0.17 0.78 -0.75 4.13 4.32 2k7hA2 VAL 43 HB -0.00 -0.01 0.01 -0.04 2.12 2.09 2k7hA2 VAL 43 HG13 -0.00 -0.00 -0.12 -0.04 0.97 0.81 2k7hA2 VAL 43 HG23 0.03 0.03 -0.13 -0.04 0.95 0.84 2k7hA2 GLU 44 H 0.03 0.34 0.29 -0.55 8.60 8.71 2k7hA2 GLU 44 HA 0.02 0.11 0.62 -0.75 4.29 4.28 2k7hA2 GLU 44 HB2 0.03 -0.06 -0.02 -0.04 2.09 2.00 2k7hA2 GLU 44 HB3 0.02 -0.00 0.04 -0.04 1.99 2.01 2k7hA2 GLU 44 HG2 0.01 0.05 0.21 -0.04 2.34 2.57 2k7hA2 GLU 44 HG3 0.01 0.01 -0.39 -0.04 2.34 1.93 2k7hA2 GLY 45 H 0.02 0.14 0.11 -0.55 8.43 8.16 2k7hA2 GLY 45 HA2 0.02 0.07 0.37 -0.51 4.01 3.96 2k7hA2 GLY 45 HA3 0.03 0.09 0.93 -0.51 4.01 4.54 2k7hA2 ASN 46 H 0.02 0.17 0.09 -0.55 8.53 8.27 2k7hA2 ASN 46 HA 0.01 0.27 0.84 -0.75 4.76 5.13 2k7hA2 ASN 46 HB2 0.01 0.02 0.04 -0.04 2.88 2.91 2k7hA2 ASN 46 HB3 0.01 -0.03 0.14 -0.04 2.79 2.86 2k7hA2 ASN 46 HD21 0.01 -0.02 0.06 -0.04 7.03 7.04 2k7hA2 ASN 46 HD22 0.01 0.02 0.06 -0.04 7.74 7.79 2k7hA2 GLY 47 H 0.02 0.13 -0.37 -0.55 8.43 7.66 2k7hA2 GLY 47 HA2 0.01 0.03 0.29 -0.51 4.01 3.83 2k7hA2 GLY 47 HA3 0.01 0.17 0.66 -0.51 4.01 4.34 2k7hA2 GLY 48 H 0.02 -0.09 -0.62 -0.55 8.43 7.19 2k7hA2 GLY 48 HA2 0.02 0.09 0.39 -0.51 4.01 4.00 2k7hA2 GLY 48 HA3 0.02 0.02 0.31 -0.51 4.01 3.86 2k7hA2 PRO 49 HA 0.07 0.03 0.32 -0.51 4.44 4.34 2k7hA2 PRO 49 HB2 0.05 0.23 -0.06 -0.04 2.28 2.46 2k7hA2 PRO 49 HB3 0.06 -0.12 0.03 -0.04 2.02 1.96 2k7hA2 PRO 49 HG2 0.04 0.06 0.04 -0.04 2.03 2.13 2k7hA2 PRO 49 HG3 0.04 0.03 0.09 -0.04 2.03 2.15 2k7hA2 PRO 49 HD2 0.03 0.07 0.20 -0.04 3.68 3.94 2k7hA2 PRO 49 HD3 0.04 0.12 0.18 -0.04 3.65 3.94 2k7hA2 GLY 50 H 0.08 0.35 0.08 -0.55 8.43 8.39 2k7hA2 GLY 50 HA2 0.06 0.14 0.48 -0.51 4.01 4.19 2k7hA2 GLY 50 HA3 0.05 -0.03 0.43 -0.51 4.01 3.95 2k7hA2 THR 51 H 0.06 0.02 -0.59 -0.55 8.28 7.22 2k7hA2 THR 51 HA 0.04 0.01 0.52 -0.75 4.39 4.20 2k7hA2 THR 51 HB 0.05 0.08 -0.02 -0.04 4.32 4.39 2k7hA2 THR 51 HG23 0.04 0.01 -0.11 -0.04 1.22 1.11 2k7hA2 ILE 52 H 0.04 1.08 0.49 -0.55 8.25 9.31 2k7hA2 ILE 52 HA 0.09 0.26 1.06 -0.75 4.18 4.84 2k7hA2 ILE 52 HB 0.04 -0.20 0.22 -0.04 1.89 1.92 2k7hA2 ILE 52 HG12 0.05 0.03 -0.15 -0.04 1.49 1.37 2k7hA2 ILE 52 HG13 0.04 -0.03 -0.06 -0.04 1.21 1.12 2k7hA2 ILE 52 HG23 0.07 0.00 -0.09 -0.04 0.93 0.87 2k7hA2 ILE 52 HD13 0.07 0.04 -0.20 -0.04 0.88 0.75 2k7hA2 LYS 53 H 0.09 0.58 0.35 -0.55 8.42 8.89 2k7hA2 LYS 53 HA 0.05 0.07 1.07 -0.75 4.32 4.76 2k7hA2 LYS 53 HB2 0.10 -0.00 0.10 -0.04 1.87 2.03 2k7hA2 LYS 53 HB3 0.07 0.03 -0.02 -0.04 1.79 1.82 2k7hA2 LYS 53 HG2 0.04 0.02 -0.14 -0.04 1.46 1.33 2k7hA2 LYS 53 HG3 0.06 -0.00 -0.34 -0.04 1.46 1.14 2k7hA2 LYS 53 HD2 0.04 0.00 -0.09 -0.04 1.69 1.61 2k7hA2 LYS 53 HD3 0.03 -0.00 -0.08 -0.04 1.68 1.58 2k7hA2 LYS 53 HE2 0.02 -0.04 -0.11 -0.04 2.99 2.82 2k7hA2 LYS 53 HE3 0.00 0.02 -0.08 -0.04 2.99 2.90 2k7hA2 LYS 54 H 0.05 0.38 0.24 -0.55 8.42 8.53 2k7hA2 LYS 54 HA 0.08 0.21 1.09 -0.75 4.32 4.95 2k7hA2 LYS 54 HB2 0.01 -0.07 -0.03 -0.04 1.87 1.75 2k7hA2 LYS 54 HB3 0.01 0.18 0.22 -0.04 1.79 2.16 2k7hA2 LYS 54 HG2 0.03 0.01 -0.28 -0.04 1.46 1.18 2k7hA2 LYS 54 HG3 0.11 -0.04 -0.06 -0.04 1.46 1.43 2k7hA2 LYS 54 HD2 -0.16 -0.00 -0.09 -0.04 1.69 1.41 2k7hA2 LYS 54 HD3 -0.14 -0.00 -0.10 -0.04 1.68 1.40 2k7hA2 LYS 54 HE2 -0.46 0.00 -0.12 -0.04 2.99 2.37 2k7hA2 LYS 54 HE3 -1.08 -0.04 -0.12 -0.04 2.99 1.72 2k7hA2 ILE 55 H 0.12 0.62 0.40 -0.55 8.25 8.84 2k7hA2 ILE 55 HA 0.14 0.21 1.11 -0.75 4.18 4.88 2k7hA2 ILE 55 HB 0.12 -0.09 0.13 -0.04 1.89 2.01 2k7hA2 ILE 55 HG12 0.17 0.05 -0.13 -0.04 1.49 1.54 2k7hA2 ILE 55 HG13 0.08 -0.06 -0.35 -0.04 1.21 0.84 2k7hA2 ILE 55 HG23 0.28 0.01 -0.06 -0.04 0.93 1.11 2k7hA2 ILE 55 HD13 0.17 -0.00 -0.10 -0.04 0.88 0.91 2k7hA2 THR 56 H -0.02 0.45 0.34 -0.55 8.28 8.50 2k7hA2 THR 56 HA 0.06 0.22 1.24 -0.75 4.39 5.15 2k7hA2 THR 56 HB -0.19 -0.05 0.22 -0.04 4.32 4.25 2k7hA2 THR 56 HG23 -0.11 0.01 -0.07 -0.04 1.22 1.01 2k7hA2 PHE 57 H -0.31 0.78 0.39 -0.55 8.34 8.65 2k7hA2 PHE 57 HA -0.07 0.17 0.95 -0.75 4.62 4.92 2k7hA2 PHE 57 HB2 0.03 0.02 0.00 -0.04 3.15 3.16 2k7hA2 PHE 57 HB3 0.04 -0.02 -0.20 -0.04 3.06 2.84 2k7hA2 PHE 57 HD2 0.01 0.12 -0.34 -0.04 7.28 7.03 2k7hA2 PHE 57 HE2 -0.03 -0.04 -0.28 -0.04 7.38 6.99 2k7hA2 PHE 57 HZ -0.03 -0.03 -0.13 -0.04 7.32 7.09 2k7hA2 LEU 58 H 0.14 0.25 0.18 -0.55 8.37 8.39 2k7hA2 LEU 58 HA -0.13 0.36 1.01 -0.75 4.35 4.84 2k7hA2 LEU 58 HB2 0.04 0.04 0.17 -0.04 1.64 1.84 2k7hA2 LEU 58 HB3 0.01 -0.12 0.03 -0.04 1.64 1.51 2k7hA2 LEU 58 HG -0.02 0.00 -0.03 -0.04 1.64 1.55 2k7hA2 LEU 58 HD13 -0.08 -0.01 -0.11 -0.04 0.93 0.69 2k7hA2 LEU 58 HD23 -0.07 0.06 -0.21 -0.04 0.89 0.63 2k7hA2 GLU 59 H -0.02 0.47 0.32 -0.55 8.60 8.82 2k7hA2 GLU 59 HA 0.13 0.11 0.71 -0.75 4.29 4.48 2k7hA2 GLU 59 HB2 0.46 0.10 -0.24 -0.04 2.09 2.38 2k7hA2 GLU 59 HB3 0.13 -0.00 -0.04 -0.04 1.99 2.03 2k7hA2 GLU 59 HG2 0.09 0.01 -0.27 -0.04 2.34 2.13 2k7hA2 GLU 59 HG3 0.13 0.02 0.02 -0.04 2.34 2.47 2k7hA2 ASP 60 H 0.05 0.21 0.12 -0.55 8.40 8.24 2k7hA2 ASP 60 HA 0.03 0.05 0.33 -0.75 4.63 4.27 2k7hA2 ASP 60 HB2 0.03 0.11 -0.32 -0.04 2.71 2.49 2k7hA2 ASP 60 HB3 0.02 0.03 0.18 -0.04 2.70 2.89 2k7hA2 GLY 61 H 0.02 -0.08 -0.72 -0.55 8.43 7.10 2k7hA2 GLY 61 HA2 0.00 -0.02 0.22 -0.51 4.01 3.70 2k7hA2 GLY 61 HA3 0.00 0.12 0.56 -0.51 4.01 4.18 2k7hA2 GLU 62 H -0.01 0.13 0.02 -0.55 8.60 8.20 2k7hA2 GLU 62 HA -0.03 0.19 0.93 -0.75 4.29 4.62 2k7hA2 GLU 62 HB2 -0.02 0.09 0.05 -0.04 2.09 2.17 2k7hA2 GLU 62 HB3 -0.04 -0.03 -0.01 -0.04 1.99 1.87 2k7hA2 GLU 62 HG2 -0.01 0.01 -0.05 -0.04 2.34 2.24 2k7hA2 GLU 62 HG3 -0.00 0.09 -0.46 -0.04 2.34 1.93 2k7hA2 THR 63 H -0.07 0.17 0.14 -0.55 8.28 7.97 2k7hA2 THR 63 HA -0.17 0.18 0.86 -0.75 4.39 4.51 2k7hA2 THR 63 HB -0.06 -0.02 0.19 -0.04 4.32 4.39 2k7hA2 THR 63 HG23 -0.09 0.01 -0.09 -0.04 1.22 1.01 2k7hA2 LYS 64 H -0.55 0.68 0.38 -0.55 8.42 8.38 2k7hA2 LYS 64 HA -0.18 0.16 0.98 -0.75 4.32 4.53 2k7hA2 LYS 64 HB2 -1.71 0.08 -0.01 -0.04 1.87 0.20 2k7hA2 LYS 64 HB3 -0.40 -0.09 0.06 -0.04 1.79 1.32 2k7hA2 LYS 64 HG2 -0.13 0.05 -0.05 -0.04 1.46 1.29 2k7hA2 LYS 64 HG3 -0.21 -0.04 -0.43 -0.04 1.46 0.74 2k7hA2 LYS 64 HD2 0.23 0.00 -0.11 -0.04 1.69 1.77 2k7hA2 LYS 64 HD3 0.07 -0.04 -0.03 -0.04 1.68 1.64 2k7hA2 LYS 64 HE2 -0.00 0.02 -0.09 -0.04 2.99 2.88 2k7hA2 LYS 64 HE3 0.04 0.00 -0.12 -0.04 2.99 2.87 2k7hA2 PHE 65 H -0.29 0.11 0.30 -0.55 8.34 7.91 2k7hA2 PHE 65 HA 0.02 0.22 1.07 -0.75 4.62 5.18 2k7hA2 PHE 65 HB2 -0.03 0.19 0.13 -0.04 3.15 3.41 2k7hA2 PHE 65 HB3 -0.09 -0.03 -0.15 -0.04 3.06 2.74 2k7hA2 PHE 65 HD2 -0.04 0.04 -0.19 -0.04 7.28 7.05 2k7hA2 PHE 65 HE2 -0.01 0.02 -0.11 -0.04 7.38 7.23 2k7hA2 PHE 65 HZ -0.00 0.03 -0.00 -0.04 7.32 7.30 2k7hA2 VAL 66 H 0.20 0.57 0.39 -0.55 8.24 8.85 2k7hA2 VAL 66 HA -0.21 0.10 1.12 -0.75 4.13 4.40 2k7hA2 VAL 66 HB -0.17 0.06 0.04 -0.04 2.12 2.02 2k7hA2 VAL 66 HG13 0.11 0.00 -0.19 -0.04 0.97 0.85 2k7hA2 VAL 66 HG23 -0.04 -0.00 -0.01 -0.04 0.95 0.85 2k7hA2 LEU 67 H -0.07 0.87 0.42 -0.55 8.37 9.04 2k7hA2 LEU 67 HA 0.00 0.40 1.19 -0.75 4.35 5.18 2k7hA2 LEU 67 HB2 0.09 -0.30 0.26 -0.04 1.64 1.65 2k7hA2 LEU 67 HB3 0.10 0.07 0.02 -0.04 1.64 1.79 2k7hA2 LEU 67 HG 0.31 -0.16 -0.38 -0.04 1.64 1.38 2k7hA2 LEU 67 HD13 0.19 0.04 -0.17 -0.04 0.93 0.95 2k7hA2 LEU 67 HD23 0.27 0.03 -0.34 -0.04 0.89 0.80 2k7hA2 HIS 68 H 0.03 0.52 0.35 -0.55 8.41 8.76 2k7hA2 HIS 68 HA 0.20 0.20 1.05 -0.75 4.63 5.33 2k7hA2 HIS 68 HB2 0.06 -0.02 0.09 -0.04 3.26 3.36 2k7hA2 HIS 68 HB3 0.10 0.03 -0.04 -0.04 3.20 3.25 2k7hA2 HIS 68 HD2 0.01 0.02 -0.12 -0.04 6.97 6.83 2k7hA2 HIS 68 HE1 0.05 -0.01 -0.11 -0.04 7.75 7.63 2k7hA2 LYS 69 H 0.33 0.62 0.43 -0.55 8.42 9.25 2k7hA2 LYS 69 HA 0.15 0.44 1.12 -0.75 4.32 5.28 2k7hA2 LYS 69 HB2 0.12 -0.04 -0.07 -0.04 1.87 1.84 2k7hA2 LYS 69 HB3 0.14 -0.03 0.09 -0.04 1.79 1.95 2k7hA2 LYS 69 HG2 0.11 -0.04 -0.28 -0.04 1.46 1.21 2k7hA2 LYS 69 HG3 0.09 0.17 -0.12 -0.04 1.46 1.56 2k7hA2 LYS 69 HD2 0.06 -0.01 -0.10 -0.04 1.69 1.60 2k7hA2 LYS 69 HD3 0.06 -0.06 -0.14 -0.04 1.68 1.49 2k7hA2 LYS 69 HE2 0.05 -0.04 -0.06 -0.04 2.99 2.90 2k7hA2 LYS 69 HE3 0.05 0.17 -0.05 -0.04 2.99 3.13 2k7hA2 ILE 70 H 0.13 0.41 0.21 -0.55 8.25 8.45 2k7hA2 ILE 70 HA 0.26 0.29 1.26 -0.75 4.18 5.24 2k7hA2 ILE 70 HB 0.11 -0.11 0.15 -0.04 1.89 2.00 2k7hA2 ILE 70 HG12 0.20 0.04 -0.13 -0.04 1.49 1.56 2k7hA2 ILE 70 HG13 0.14 -0.00 -0.23 -0.04 1.21 1.07 2k7hA2 ILE 70 HG23 0.20 0.01 -0.06 -0.04 0.93 1.05 2k7hA2 ILE 70 HD13 0.02 0.02 -0.07 -0.04 0.88 0.81 2k7hA2 GLU 71 H 0.16 0.65 0.23 -0.55 8.60 9.09 2k7hA2 GLU 71 HA 0.07 0.17 0.82 -0.75 4.29 4.59 2k7hA2 GLU 71 HB2 0.06 -0.04 0.07 -0.04 2.09 2.14 2k7hA2 GLU 71 HB3 0.04 0.02 -0.00 -0.04 1.99 2.01 2k7hA2 GLU 71 HG2 0.04 0.05 -0.15 -0.04 2.34 2.24 2k7hA2 GLU 71 HG3 0.06 -0.03 -0.26 -0.04 2.34 2.07 2k7hA2 SER 72 H 0.13 0.19 0.27 -0.55 8.46 8.50 2k7hA2 SER 72 HA 0.08 0.09 0.60 -0.75 4.49 4.51 2k7hA2 SER 72 HB2 0.05 0.14 -0.19 -0.04 3.95 3.91 2k7hA2 SER 72 HB3 0.07 -0.05 -0.05 -0.04 3.93 3.86 2k7hA2 ILE 73 H 0.10 0.19 0.19 -0.55 8.25 8.18 2k7hA2 ILE 73 HA 0.25 0.15 1.04 -0.75 4.18 4.87 2k7hA2 ILE 73 HB 0.10 -0.00 0.11 -0.04 1.89 2.05 2k7hA2 ILE 73 HG12 0.11 0.06 -0.10 -0.04 1.49 1.52 2k7hA2 ILE 73 HG13 0.11 -0.14 -0.19 -0.04 1.21 0.94 2k7hA2 ILE 73 HG23 0.16 -0.02 -0.07 -0.04 0.93 0.97 2k7hA2 ILE 73 HD13 0.03 0.03 -0.08 -0.04 0.88 0.82 2k7hA2 ASP 74 H 0.28 0.49 0.20 -0.55 8.40 8.83 2k7hA2 ASP 74 HA 0.08 0.14 0.93 -0.75 4.63 5.02 2k7hA2 ASP 74 HB2 0.07 0.28 0.18 -0.04 2.71 3.20 2k7hA2 ASP 74 HB3 0.02 -0.17 0.14 -0.04 2.70 2.65 2k7hA2 GLU 75 H 0.12 0.23 -0.02 -0.55 8.60 8.39 2k7hA2 GLU 75 HA 0.12 0.09 0.39 -0.75 4.29 4.13 2k7hA2 GLU 75 HB2 0.08 -0.01 0.09 -0.04 2.09 2.20 2k7hA2 GLU 75 HB3 0.12 0.06 0.04 -0.04 1.99 2.18 2k7hA2 GLU 75 HG2 0.32 0.03 0.00 -0.04 2.34 2.65 2k7hA2 GLU 75 HG3 0.16 -0.05 0.03 -0.04 2.34 2.44 2k7hA2 ALA 76 H 0.01 0.06 -0.19 -0.55 8.40 7.73 2k7hA2 ALA 76 HA -0.02 0.08 0.39 -0.75 4.34 4.03 2k7hA2 ALA 76 HB3 -0.01 0.01 0.06 -0.04 1.41 1.43 2k7hA2 ASN 77 H -0.06 0.07 -0.26 -0.55 8.53 7.73 2k7hA2 ASN 77 HA -0.07 0.17 0.73 -0.75 4.76 4.84 2k7hA2 ASN 77 HB2 -0.04 -0.01 0.10 -0.04 2.88 2.88 2k7hA2 ASN 77 HB3 -0.04 0.01 0.16 -0.04 2.79 2.88 2k7hA2 ASN 77 HD21 -0.00 0.01 0.00 -0.04 7.03 7.00 2k7hA2 ASN 77 HD22 -0.00 0.00 -0.02 -0.04 7.74 7.68 2k7hA2 LEU 78 H -0.30 0.35 -0.62 -0.55 8.37 7.25 2k7hA2 LEU 78 HA -1.89 -0.08 0.35 -0.75 4.35 1.98 2k7hA2 LEU 78 HB2 -0.21 0.43 0.12 -0.04 1.64 1.93 2k7hA2 LEU 78 HB3 -0.35 -0.10 0.16 -0.04 1.64 1.31 2k7hA2 LEU 78 HG -0.20 0.11 -0.21 -0.04 1.64 1.30 2k7hA2 LEU 78 HD13 -0.05 0.01 -0.14 -0.04 0.93 0.72 2k7hA2 LEU 78 HD23 -0.06 -0.02 0.05 -0.04 0.89 0.82 2k7hA2 GLY 79 H -0.25 0.31 -0.36 -0.55 8.43 7.60 2k7hA2 GLY 79 HA2 0.26 0.23 1.05 -0.51 4.01 5.04 2k7hA2 GLY 79 HA3 0.05 -0.03 0.37 -0.51 4.01 3.89 2k7hA2 TYR 80 H 0.15 0.59 0.36 -0.55 8.29 8.84 2k7hA2 TYR 80 HA 0.15 0.11 0.82 -0.75 4.56 4.89 2k7hA2 TYR 80 HB2 0.14 0.02 0.18 -0.04 3.06 3.36 2k7hA2 TYR 80 HB3 0.27 -0.06 -0.22 -0.04 2.98 2.93 2k7hA2 TYR 80 HD2 0.28 0.01 -0.18 -0.04 7.15 7.21 2k7hA2 TYR 80 HE2 -0.03 0.01 -0.14 -0.04 6.85 6.65 2k7hA2 SER 81 H 0.24 0.44 0.40 -0.55 8.46 8.99 2k7hA2 SER 81 HA -0.10 0.30 1.21 -0.75 4.49 5.14 2k7hA2 SER 81 HB2 0.01 0.03 -0.02 -0.04 3.95 3.93 2k7hA2 SER 81 HB3 0.07 -0.23 0.21 -0.04 3.93 3.93 2k7hA2 TYR 82 H -0.12 0.70 0.46 -0.55 8.29 8.78 2k7hA2 TYR 82 HA 0.13 0.09 1.00 -0.75 4.56 5.02 2k7hA2 TYR 82 HB2 0.19 0.15 0.14 -0.04 3.06 3.50 2k7hA2 TYR 82 HB3 0.35 -0.07 -0.22 -0.04 2.98 2.99 2k7hA2 TYR 82 HD2 0.00 -0.02 -0.14 -0.04 7.15 6.96 2k7hA2 TYR 82 HE2 -0.02 -0.02 -0.09 -0.04 6.85 6.68 2k7hA2 SER 83 H 0.26 0.63 0.46 -0.55 8.46 9.26 2k7hA2 SER 83 HA -0.05 0.10 1.04 -0.75 4.49 4.83 2k7hA2 SER 83 HB2 -0.03 0.19 0.05 -0.04 3.95 4.12 2k7hA2 SER 83 HB3 -0.08 -0.12 -0.04 -0.04 3.93 3.65 2k7hA2 VAL 84 H 0.14 0.38 0.38 -0.55 8.24 8.59 2k7hA2 VAL 84 HA 0.28 0.30 0.97 -0.75 4.13 4.93 2k7hA2 VAL 84 HB 0.16 -0.05 0.23 -0.04 2.12 2.43 2k7hA2 VAL 84 HG13 0.10 -0.06 -0.01 -0.04 0.97 0.95 2k7hA2 VAL 84 HG23 0.44 -0.00 0.03 -0.04 0.95 1.38 2k7hA2 VAL 85 H 0.12 0.36 0.29 -0.55 8.24 8.46 2k7hA2 VAL 85 HA 0.05 0.24 0.92 -0.75 4.13 4.58 2k7hA2 VAL 85 HB 0.08 -0.04 -0.05 -0.04 2.12 2.08 2k7hA2 VAL 85 HG13 0.05 0.00 0.06 -0.04 0.97 1.04 2k7hA2 VAL 85 HG23 0.09 0.02 -0.22 -0.04 0.95 0.80 2k7hA2 GLY 86 H 0.07 0.15 0.28 -0.55 8.43 8.38 2k7hA2 GLY 86 HA2 0.06 0.17 0.49 -0.51 4.01 4.22 2k7hA2 GLY 86 HA3 0.18 0.05 0.35 -0.51 4.01 4.07 2k7hA2 GLY 87 H -0.14 0.20 0.16 -0.55 8.43 8.10 2k7hA2 GLY 87 HA2 -1.53 0.21 0.50 -0.51 4.01 2.68 2k7hA2 GLY 87 HA3 -0.37 0.07 1.20 -0.51 4.01 4.40 2k7hA2 ALA 88 H -0.36 0.32 0.31 -0.55 8.40 8.12 2k7hA2 ALA 88 HA -0.09 0.12 0.43 -0.75 4.34 4.05 2k7hA2 ALA 88 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 2k7hA2 ALA 89 H -0.06 -0.01 -0.63 -0.55 8.40 7.15 2k7hA2 ALA 89 HA 0.04 0.10 0.42 -0.75 4.34 4.14 2k7hA2 ALA 89 HB3 0.06 -0.01 -0.01 -0.04 1.41 1.41 2k7hA2 LEU 90 H -0.03 0.51 -0.51 -0.55 8.37 7.79 2k7hA2 LEU 90 HA 0.02 0.07 0.47 -0.75 4.35 4.16 2k7hA2 LEU 90 HB2 -0.01 -0.18 -0.10 -0.04 1.64 1.31 2k7hA2 LEU 90 HB3 -0.01 -0.02 0.09 -0.04 1.64 1.67 2k7hA2 LEU 90 HG -0.01 0.10 -0.10 -0.04 1.64 1.60 2k7hA2 LEU 90 HD13 0.02 -0.04 -0.22 -0.04 0.93 0.64 2k7hA2 LEU 90 HD23 0.01 0.01 -0.18 -0.04 0.89 0.69 2k7hA2 PRO 91 HA 0.05 0.01 0.38 -0.51 4.44 4.37 2k7hA2 PRO 91 HB2 0.11 -0.19 -0.04 -0.04 2.28 2.12 2k7hA2 PRO 91 HB3 0.12 0.03 0.06 -0.04 2.02 2.18 2k7hA2 PRO 91 HG2 -0.09 0.07 0.00 -0.04 2.03 1.98 2k7hA2 PRO 91 HG3 -0.01 -0.00 0.02 -0.04 2.03 1.99 2k7hA2 PRO 91 HD2 -0.03 0.06 0.16 -0.04 3.68 3.84 2k7hA2 PRO 91 HD3 0.04 0.41 0.30 -0.04 3.65 4.36 2k7hA2 ASP 92 H 0.04 0.08 0.18 -0.55 8.40 8.15 2k7hA2 ASP 92 HA 0.02 0.24 0.53 -0.75 4.63 4.67 2k7hA2 ASP 92 HB2 0.03 -0.08 0.10 -0.04 2.71 2.71 2k7hA2 ASP 92 HB3 0.03 0.02 0.05 -0.04 2.70 2.75 2k7hA2 THR 93 H 0.06 0.01 -0.05 -0.55 8.28 7.75 2k7hA2 THR 93 HA 0.06 0.11 0.48 -0.75 4.39 4.28 2k7hA2 THR 93 HB 0.09 -0.02 0.04 -0.04 4.32 4.38 2k7hA2 THR 93 HG23 0.05 -0.01 -0.00 -0.04 1.22 1.21 2k7hA2 ALA 94 H 0.04 0.13 -0.82 -0.55 8.40 7.21 2k7hA2 ALA 94 HA 0.02 0.12 1.09 -0.75 4.34 4.82 2k7hA2 ALA 94 HB3 -0.37 -0.03 -0.07 -0.04 1.41 0.90 2k7hA2 GLU 95 H -0.05 0.22 -0.15 -0.55 8.60 8.06 2k7hA2 GLU 95 HA -0.02 0.09 0.41 -0.75 4.29 4.02 2k7hA2 GLU 95 HB2 -0.04 -0.05 -0.00 -0.04 2.09 1.95 2k7hA2 GLU 95 HB3 -0.02 -0.01 -0.06 -0.04 1.99 1.85 2k7hA2 GLU 95 HG2 -0.00 0.00 -0.08 -0.04 2.34 2.22 2k7hA2 GLU 95 HG3 -0.00 -0.02 -0.32 -0.04 2.34 1.95 2k7hA2 LYS 96 H -0.13 0.14 0.08 -0.55 8.42 7.96 2k7hA2 LYS 96 HA -0.08 0.18 0.52 -0.75 4.32 4.20 2k7hA2 LYS 96 HB2 -0.06 -0.11 -0.14 -0.04 1.87 1.52 2k7hA2 LYS 96 HB3 -0.04 0.04 0.06 -0.04 1.79 1.81 2k7hA2 LYS 96 HG2 -0.01 0.22 0.23 -0.04 1.46 1.85 2k7hA2 LYS 96 HG3 -0.02 -0.14 -0.61 -0.04 1.46 0.64 2k7hA2 LYS 96 HD2 -0.01 -0.09 -0.10 -0.04 1.69 1.45 2k7hA2 LYS 96 HD3 0.01 0.04 0.00 -0.04 1.68 1.69 2k7hA2 LYS 96 HE2 0.02 0.02 0.06 -0.04 2.99 3.05 2k7hA2 LYS 96 HE3 0.01 0.04 -0.02 -0.04 2.99 2.98 2k7hA2 ILE 97 H -0.09 0.30 0.25 -0.55 8.25 8.16 2k7hA2 ILE 97 HA -0.29 0.29 1.15 -0.75 4.18 4.58 2k7hA2 ILE 97 HB -0.11 -0.10 0.18 -0.04 1.89 1.82 2k7hA2 ILE 97 HG12 -0.49 0.02 -0.03 -0.04 1.49 0.95 2k7hA2 ILE 97 HG13 -0.21 -0.05 -0.26 -0.04 1.21 0.64 2k7hA2 ILE 97 HG23 -0.64 0.03 -0.02 -0.04 0.93 0.25 2k7hA2 ILE 97 HD13 0.08 0.00 0.00 -0.04 0.88 0.92 2k7hA2 THR 98 H -0.33 0.46 0.32 -0.55 8.28 8.18 2k7hA2 THR 98 HA -0.27 0.16 1.08 -0.75 4.39 4.61 2k7hA2 THR 98 HB -0.18 -0.05 0.11 -0.04 4.32 4.16 2k7hA2 THR 98 HG23 -0.12 0.03 -0.12 -0.04 1.22 0.98 2k7hA2 PHE 99 H -0.46 0.89 0.55 -0.55 8.34 8.76 2k7hA2 PHE 99 HA -0.20 0.19 1.12 -0.75 4.62 4.98 2k7hA2 PHE 99 HB2 -1.85 0.04 0.20 -0.04 3.15 1.50 2k7hA2 PHE 99 HB3 -0.28 -0.03 0.02 -0.04 3.06 2.73 2k7hA2 PHE 99 HD2 -0.21 0.02 -0.02 -0.04 7.28 7.04 2k7hA2 PHE 99 HE2 0.05 -0.01 -0.05 -0.04 7.38 7.32 2k7hA2 PHE 99 HZ 0.06 0.04 -0.08 -0.04 7.32 7.29 2k7hA2 ASP 100 H -0.02 0.73 0.35 -0.55 8.40 8.91 2k7hA2 ASP 100 HA -0.12 0.19 1.16 -0.75 4.63 5.11 2k7hA2 ASP 100 HB2 -0.07 -0.02 -0.04 -0.04 2.71 2.53 2k7hA2 ASP 100 HB3 -0.04 -0.03 0.24 -0.04 2.70 2.83 2k7hA2 SER 101 H -0.19 0.36 0.26 -0.55 8.46 8.33 2k7hA2 SER 101 HA -0.00 0.27 1.21 -0.75 4.49 5.22 2k7hA2 SER 101 HB2 0.01 -0.01 0.05 -0.04 3.95 3.97 2k7hA2 SER 101 HB3 0.03 0.05 -0.00 -0.04 3.93 3.96 2k7hA2 LYS 102 H 0.02 0.49 0.35 -0.55 8.42 8.72 2k7hA2 LYS 102 HA 0.07 0.10 1.05 -0.75 4.32 4.78 2k7hA2 LYS 102 HB2 0.01 -0.01 -0.04 -0.04 1.87 1.79 2k7hA2 LYS 102 HB3 0.01 -0.15 0.14 -0.04 1.79 1.74 2k7hA2 LYS 102 HG2 -0.01 0.09 -0.12 -0.04 1.46 1.38 2k7hA2 LYS 102 HG3 -0.01 0.03 0.07 -0.04 1.46 1.51 2k7hA2 LYS 102 HD2 -0.01 0.02 0.01 -0.04 1.69 1.66 2k7hA2 LYS 102 HD3 -0.00 -0.04 -0.03 -0.04 1.68 1.57 2k7hA2 LYS 102 HE2 -0.00 -0.04 -0.01 -0.04 2.99 2.90 2k7hA2 LYS 102 HE3 -0.00 -0.00 -0.06 -0.04 2.99 2.88 2k7hA2 LEU 103 H -0.01 0.39 -0.03 -0.55 8.37 8.18 2k7hA2 LEU 103 HA 0.05 0.09 0.87 -0.75 4.35 4.61 2k7hA2 LEU 103 HB2 0.03 0.25 0.24 -0.04 1.64 2.12 2k7hA2 LEU 103 HB3 0.09 -0.14 0.00 -0.04 1.64 1.56 2k7hA2 LEU 103 HG 0.24 -0.03 -0.40 -0.04 1.64 1.41 2k7hA2 LEU 103 HD13 0.34 -0.03 -0.10 -0.04 0.93 1.11 2k7hA2 LEU 103 HD23 0.14 0.05 -0.14 -0.04 0.89 0.90 2k7hA2 VAL 104 H 0.02 0.91 0.42 -0.55 8.24 9.05 2k7hA2 VAL 104 HA -0.01 0.10 0.88 -0.75 4.13 4.35 2k7hA2 VAL 104 HB -0.00 0.00 0.08 -0.04 2.12 2.16 2k7hA2 VAL 104 HG13 -0.01 -0.02 -0.28 -0.04 0.97 0.62 2k7hA2 VAL 104 HG23 0.01 -0.06 -0.01 -0.04 0.95 0.85 2k7hA2 ALA 105 H 0.00 0.11 0.18 -0.55 8.40 8.15 2k7hA2 ALA 105 HA 0.02 0.10 0.61 -0.75 4.34 4.32 2k7hA2 ALA 105 HB3 0.01 0.01 0.13 -0.04 1.41 1.51 2k7hA2 GLY 106 H 0.02 0.27 0.28 -0.55 8.43 8.45 2k7hA2 GLY 106 HA2 0.01 0.24 0.83 -0.51 4.01 4.59 2k7hA2 GLY 106 HA3 0.01 -0.00 0.29 -0.51 4.01 3.81 2k7hA2 PRO 107 HA 0.01 0.12 0.41 -0.51 4.44 4.47 2k7hA2 PRO 107 HB2 0.01 0.06 0.03 -0.04 2.28 2.33 2k7hA2 PRO 107 HB3 0.01 0.04 0.11 -0.04 2.02 2.13 2k7hA2 PRO 107 HG2 0.01 0.04 0.01 -0.04 2.03 2.05 2k7hA2 PRO 107 HG3 0.01 0.06 0.06 -0.04 2.03 2.12 2k7hA2 PRO 107 HD2 0.01 0.10 0.21 -0.04 3.68 3.96 2k7hA2 PRO 107 HD3 0.01 0.18 0.18 -0.04 3.65 3.97 2k7hA2 ASN 108 H 0.01 0.03 -0.49 -0.55 8.53 7.53 2k7hA2 ASN 108 HA 0.01 0.11 0.39 -0.75 4.76 4.52 2k7hA2 ASN 108 HB2 0.02 -0.01 0.02 -0.04 2.88 2.86 2k7hA2 ASN 108 HB3 0.02 -0.08 -0.10 -0.04 2.79 2.59 2k7hA2 ASN 108 HD21 0.02 -0.01 -0.10 -0.04 7.03 6.90 2k7hA2 ASN 108 HD22 0.02 0.01 -0.08 -0.04 7.74 7.65 2k7hA2 GLY 109 H 0.02 0.21 -0.33 -0.55 8.43 7.78 2k7hA2 GLY 109 HA2 0.02 0.01 0.27 -0.51 4.01 3.79 2k7hA2 GLY 109 HA3 0.02 0.19 0.74 -0.51 4.01 4.45 2k7hA2 GLY 110 H 0.03 -0.11 -0.16 -0.55 8.43 7.64 2k7hA2 GLY 110 HA2 0.04 0.21 0.61 -0.51 4.01 4.36 2k7hA2 GLY 110 HA3 0.04 0.10 0.29 -0.51 4.01 3.93 2k7hA2 SER 111 H 0.06 0.61 0.31 -0.55 8.46 8.89 2k7hA2 SER 111 HA 0.05 0.11 0.93 -0.75 4.49 4.83 2k7hA2 SER 111 HB2 0.10 -0.02 -0.00 -0.04 3.95 3.99 2k7hA2 SER 111 HB3 0.10 0.06 -0.11 -0.04 3.93 3.94 2k7hA2 ALA 112 H 0.04 0.47 0.31 -0.55 8.40 8.68 2k7hA2 ALA 112 HA 0.03 0.36 0.93 -0.75 4.34 4.91 2k7hA2 ALA 112 HB3 0.02 -0.04 -0.04 -0.04 1.41 1.30 2k7hA2 GLY 113 H 0.01 0.37 0.36 -0.55 8.43 8.63 2k7hA2 GLY 113 HA2 0.01 0.04 0.39 -0.51 4.01 3.93 2k7hA2 GLY 113 HA3 0.02 0.32 0.42 -0.51 4.01 4.26 2k7hA2 LYS 114 H 0.01 0.17 0.24 -0.55 8.42 8.29 2k7hA2 LYS 114 HA 0.00 0.23 1.15 -0.75 4.32 4.94 2k7hA2 LYS 114 HB2 0.00 -0.04 0.10 -0.04 1.87 1.89 2k7hA2 LYS 114 HB3 0.01 0.05 0.06 -0.04 1.79 1.86 2k7hA2 LYS 114 HG2 0.00 0.08 -0.05 -0.04 1.46 1.45 2k7hA2 LYS 114 HG3 0.00 -0.09 -0.25 -0.04 1.46 1.08 2k7hA2 LYS 114 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.60 2k7hA2 LYS 114 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 2k7hA2 LYS 114 HE2 0.00 -0.01 -0.06 -0.04 2.99 2.88 2k7hA2 LYS 114 HE3 0.00 -0.00 -0.04 -0.04 2.99 2.91 2k7hA2 LEU 115 H 0.00 0.86 0.43 -0.55 8.37 9.12 2k7hA2 LEU 115 HA 0.01 0.23 1.14 -0.75 4.35 4.98 2k7hA2 LEU 115 HB2 -0.03 -0.01 -0.21 -0.04 1.64 1.35 2k7hA2 LEU 115 HB3 0.02 -0.11 -0.03 -0.04 1.64 1.47 2k7hA2 LEU 115 HG -0.00 0.00 -0.05 -0.04 1.64 1.55 2k7hA2 LEU 115 HD13 -0.05 -0.01 -0.15 -0.04 0.93 0.68 2k7hA2 LEU 115 HD23 0.10 0.00 -0.28 -0.04 0.89 0.68 2k7hA2 THR 116 H 0.03 0.67 0.33 -0.55 8.28 8.76 2k7hA2 THR 116 HA 0.05 0.39 1.23 -0.75 4.39 5.32 2k7hA2 THR 116 HB -0.01 -0.07 0.21 -0.04 4.32 4.40 2k7hA2 THR 116 HG23 -0.01 0.00 -0.05 -0.04 1.22 1.13 2k7hA2 VAL 117 H 0.12 0.53 0.29 -0.55 8.24 8.63 2k7hA2 VAL 117 HA -0.05 0.18 1.05 -0.75 4.13 4.56 2k7hA2 VAL 117 HB 0.28 -0.09 0.12 -0.04 2.12 2.39 2k7hA2 VAL 117 HG13 0.11 0.02 -0.12 -0.04 0.97 0.94 2k7hA2 VAL 117 HG23 0.23 -0.00 -0.17 -0.04 0.95 0.96 2k7hA2 LYS 118 H -0.32 0.55 0.36 -0.55 8.42 8.46 2k7hA2 LYS 118 HA -0.01 0.27 1.02 -0.75 4.32 4.84 2k7hA2 LYS 118 HB2 -0.13 0.05 0.05 -0.04 1.87 1.80 2k7hA2 LYS 118 HB3 -0.18 -0.30 0.28 -0.04 1.79 1.55 2k7hA2 LYS 118 HG2 -0.06 0.01 -0.18 -0.04 1.46 1.19 2k7hA2 LYS 118 HG3 -0.06 0.03 -0.07 -0.04 1.46 1.32 2k7hA2 LYS 118 HD2 -0.08 -0.01 -0.07 -0.04 1.69 1.49 2k7hA2 LYS 118 HD3 -0.09 -0.04 -0.09 -0.04 1.68 1.42 2k7hA2 LYS 118 HE2 -0.06 0.02 -0.09 -0.04 2.99 2.82 2k7hA2 LYS 118 HE3 -0.05 -0.01 -0.08 -0.04 2.99 2.80 2k7hA2 TYR 119 H 0.18 0.60 0.22 -0.55 8.29 8.74 2k7hA2 TYR 119 HA -0.01 0.17 1.07 -0.75 4.56 5.03 2k7hA2 TYR 119 HB2 0.16 -0.01 -0.01 -0.04 3.06 3.15 2k7hA2 TYR 119 HB3 0.31 -0.10 0.24 -0.04 2.98 3.39 2k7hA2 TYR 119 HD2 0.12 -0.02 -0.22 -0.04 7.15 6.98 2k7hA2 TYR 119 HE2 0.04 0.01 -0.14 -0.04 6.85 6.73 2k7hA2 GLU 120 H -0.29 0.46 0.30 -0.55 8.60 8.51 2k7hA2 GLU 120 HA 0.05 0.19 0.94 -0.75 4.29 4.72 2k7hA2 GLU 120 HB2 -0.10 -0.18 0.22 -0.04 2.09 1.98 2k7hA2 GLU 120 HB3 -0.04 0.10 0.07 -0.04 1.99 2.09 2k7hA2 GLU 120 HG2 -0.05 0.02 -0.15 -0.04 2.34 2.12 2k7hA2 GLU 120 HG3 -0.10 -0.00 -0.11 -0.04 2.34 2.09 2k7hA2 THR 121 H 0.09 0.34 0.27 -0.55 8.28 8.44 2k7hA2 THR 121 HA 0.12 0.18 1.13 -0.75 4.39 5.06 2k7hA2 THR 121 HB 0.19 0.02 0.15 -0.04 4.32 4.63 2k7hA2 THR 121 HG23 0.48 -0.01 -0.06 -0.04 1.22 1.58 2k7hA2 LYS 122 H 0.07 0.39 0.15 -0.55 8.42 8.48 2k7hA2 LYS 122 HA 0.02 0.05 0.36 -0.75 4.32 3.99 2k7hA2 LYS 122 HB2 0.04 -0.11 0.12 -0.04 1.87 1.87 2k7hA2 LYS 122 HB3 0.03 -0.02 0.02 -0.04 1.79 1.78 2k7hA2 LYS 122 HG2 0.02 0.02 -0.05 -0.04 1.46 1.42 2k7hA2 LYS 122 HG3 0.04 0.08 -0.07 -0.04 1.46 1.47 2k7hA2 LYS 122 HD2 0.03 -0.09 0.02 -0.04 1.69 1.61 2k7hA2 LYS 122 HD3 0.02 -0.05 0.00 -0.04 1.68 1.62 2k7hA2 LYS 122 HE2 0.02 0.11 0.01 -0.04 2.99 3.09 2k7hA2 LYS 122 HE3 0.03 -0.01 0.01 -0.04 2.99 2.98 2k7hA2 GLY 123 H 0.06 0.09 -0.29 -0.55 8.43 7.74 2k7hA2 GLY 123 HA2 0.02 0.18 0.34 -0.51 4.01 4.04 2k7hA2 GLY 123 HA3 0.02 -0.07 0.41 -0.51 4.01 3.87 2k7hA2 ASP 124 H 0.03 0.10 0.10 -0.55 8.40 8.08 2k7hA2 ASP 124 HA 0.03 0.12 0.41 -0.75 4.63 4.44 2k7hA2 ASP 124 HB2 0.03 -0.07 0.12 -0.04 2.71 2.74 2k7hA2 ASP 124 HB3 0.03 0.01 0.02 -0.04 2.70 2.72 2k7hA2 ALA 125 H 0.05 -0.05 -0.12 -0.55 8.40 7.73 2k7hA2 ALA 125 HA 0.05 -0.03 0.34 -0.75 4.34 3.95 2k7hA2 ALA 125 HB3 0.06 -0.01 0.06 -0.04 1.41 1.48 2k7hA2 GLU 126 H 0.06 0.08 0.20 -0.55 8.60 8.39 2k7hA2 GLU 126 HA 0.21 0.22 0.89 -0.75 4.29 4.84 2k7hA2 GLU 126 HB2 0.10 -0.11 0.12 -0.04 2.09 2.16 2k7hA2 GLU 126 HB3 0.22 0.01 0.03 -0.04 1.99 2.22 2k7hA2 GLU 126 HG2 0.40 -0.05 -0.00 -0.04 2.34 2.64 2k7hA2 GLU 126 HG3 0.18 0.34 -0.60 -0.04 2.34 2.22 2k7hA2 PRO 127 HA -0.14 0.00 0.42 -0.51 4.44 4.22 2k7hA2 PRO 127 HB2 -0.52 0.01 -0.05 -0.04 2.28 1.68 2k7hA2 PRO 127 HB3 -0.36 0.01 0.02 -0.04 2.02 1.65 2k7hA2 PRO 127 HG2 -0.90 0.01 -0.01 -0.04 2.03 1.09 2k7hA2 PRO 127 HG3 -1.17 0.06 -0.03 -0.04 2.03 0.85 2k7hA2 PRO 127 HD2 -0.07 0.15 0.20 -0.04 3.68 3.92 2k7hA2 PRO 127 HD3 0.11 0.20 0.06 -0.04 3.65 3.98 2k7hA2 ASN 128 H -0.16 0.04 0.18 -0.55 8.53 8.05 2k7hA2 ASN 128 HA -0.15 0.27 0.69 -0.75 4.76 4.82 2k7hA2 ASN 128 HB2 -0.10 -0.21 0.10 -0.04 2.88 2.63 2k7hA2 ASN 128 HB3 -0.08 0.02 0.18 -0.04 2.79 2.87 2k7hA2 ASN 128 HD21 -0.04 -0.03 0.05 -0.04 7.03 6.97 2k7hA2 ASN 128 HD22 -0.04 0.07 0.04 -0.04 7.74 7.78 2k7hA2 GLN 129 H -0.11 0.22 0.17 -0.55 8.47 8.21 2k7hA2 GLN 129 HA -0.20 0.13 0.38 -0.75 4.36 3.91 2k7hA2 GLN 129 HB2 -0.07 -0.04 0.14 -0.04 2.15 2.14 2k7hA2 GLN 129 HB3 -0.10 0.05 0.03 -0.04 2.02 1.96 2k7hA2 GLN 129 HG2 -0.03 0.06 0.05 -0.04 2.40 2.43 2k7hA2 GLN 129 HG3 -0.05 -0.01 0.12 -0.04 2.39 2.40 2k7hA2 GLN 129 HE21 0.05 0.03 0.02 -0.04 6.97 7.03 2k7hA2 GLN 129 HE22 0.02 0.02 0.02 -0.04 7.69 7.72 2k7hA2 ASP 130 H -0.09 0.08 -0.15 -0.55 8.40 7.69 2k7hA2 ASP 130 HA -0.08 0.11 0.40 -0.75 4.63 4.30 2k7hA2 ASP 130 HB2 -0.06 -0.06 0.07 -0.04 2.71 2.62 2k7hA2 ASP 130 HB3 -0.05 0.07 0.01 -0.04 2.70 2.69 2k7hA2 GLU 131 H -0.11 0.03 -0.27 -0.55 8.60 7.70 2k7hA2 GLU 131 HA -0.06 0.07 0.37 -0.75 4.29 3.91 2k7hA2 GLU 131 HB2 -0.18 0.05 0.15 -0.04 2.09 2.08 2k7hA2 GLU 131 HB3 -0.11 0.06 0.01 -0.04 1.99 1.92 2k7hA2 GLU 131 HG2 -0.07 -0.08 0.09 -0.04 2.34 2.23 2k7hA2 GLU 131 HG3 -0.06 0.03 0.08 -0.04 2.34 2.34 2k7hA2 LEU 132 H -0.24 0.50 -0.25 -0.55 8.37 7.84 2k7hA2 LEU 132 HA -0.19 0.02 0.34 -0.75 4.35 3.77 2k7hA2 LEU 132 HB2 -0.41 0.11 0.09 -0.04 1.64 1.39 2k7hA2 LEU 132 HB3 -0.45 -0.03 -0.01 -0.04 1.64 1.11 2k7hA2 LEU 132 HG -0.40 0.17 -0.06 -0.04 1.64 1.31 2k7hA2 LEU 132 HD13 -0.31 -0.01 -0.16 -0.04 0.93 0.41 2k7hA2 LEU 132 HD23 -0.62 -0.00 -0.07 -0.04 0.89 0.16 2k7hA2 LYS 133 H -0.17 0.46 -0.30 -0.55 8.42 7.85 2k7hA2 LYS 133 HA -0.12 -0.00 0.40 -0.75 4.32 3.84 2k7hA2 LYS 133 HB2 -0.12 0.04 0.13 -0.04 1.87 1.88 2k7hA2 LYS 133 HB3 -0.08 0.10 0.18 -0.04 1.79 1.95 2k7hA2 LYS 133 HG2 -0.05 -0.02 -0.14 -0.04 1.46 1.20 2k7hA2 LYS 133 HG3 -0.08 -0.02 0.04 -0.04 1.46 1.36 2k7hA2 LYS 133 HD2 -0.06 -0.01 -0.01 -0.04 1.69 1.57 2k7hA2 LYS 133 HD3 -0.05 -0.00 -0.01 -0.04 1.68 1.57 2k7hA2 LYS 133 HE2 -0.03 0.01 -0.02 -0.04 2.99 2.90 2k7hA2 LYS 133 HE3 -0.04 -0.01 -0.03 -0.04 2.99 2.87 2k7hA2 THR 134 H -0.06 0.52 -0.07 -0.55 8.28 8.12 2k7hA2 THR 134 HA -0.01 -0.00 0.38 -0.75 4.39 4.00 2k7hA2 THR 134 HB -0.01 0.11 0.11 -0.04 4.32 4.49 2k7hA2 THR 134 HG23 0.01 -0.01 -0.03 -0.04 1.22 1.15 2k7hA2 GLY 135 H 0.00 0.48 -0.31 -0.55 8.43 8.05 2k7hA2 GLY 135 HA2 0.10 0.03 0.40 -0.51 4.01 4.03 2k7hA2 GLY 135 HA3 0.14 0.05 0.30 -0.51 4.01 3.99 2k7hA2 LYS 136 H 0.03 0.57 -0.11 -0.55 8.42 8.36 2k7hA2 LYS 136 HA 0.12 -0.01 0.43 -0.75 4.32 4.10 2k7hA2 LYS 136 HB2 -0.02 0.14 0.16 -0.04 1.87 2.11 2k7hA2 LYS 136 HB3 0.01 -0.07 0.01 -0.04 1.79 1.70 2k7hA2 LYS 136 HG2 0.16 -0.06 -0.01 -0.04 1.46 1.51 2k7hA2 LYS 136 HG3 -0.03 0.22 0.04 -0.04 1.46 1.65 2k7hA2 LYS 136 HD2 0.05 -0.04 -0.08 -0.04 1.69 1.58 2k7hA2 LYS 136 HD3 -0.03 -0.03 -0.08 -0.04 1.68 1.49 2k7hA2 LYS 136 HE2 -0.08 0.06 -0.01 -0.04 2.99 2.92 2k7hA2 LYS 136 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.84 2k7hA2 ALA 137 H 0.00 0.63 -0.19 -0.55 8.40 8.29 2k7hA2 ALA 137 HA -0.01 -0.04 0.33 -0.75 4.34 3.87 2k7hA2 ALA 137 HB3 -0.01 0.04 0.06 -0.04 1.41 1.46 2k7hA2 LYS 138 H 0.02 0.42 -0.55 -0.55 8.42 7.75 2k7hA2 LYS 138 HA -0.02 0.01 0.39 -0.75 4.32 3.95 2k7hA2 LYS 138 HB2 0.04 0.27 0.20 -0.04 1.87 2.34 2k7hA2 LYS 138 HB3 0.01 -0.08 0.00 -0.04 1.79 1.68 2k7hA2 LYS 138 HG2 0.01 -0.07 0.00 -0.04 1.46 1.36 2k7hA2 LYS 138 HG3 0.03 0.24 0.08 -0.04 1.46 1.77 2k7hA2 LYS 138 HD2 0.07 0.04 0.05 -0.04 1.69 1.81 2k7hA2 LYS 138 HD3 0.04 -0.07 -0.01 -0.04 1.68 1.60 2k7hA2 LYS 138 HE2 0.03 -0.03 -0.06 -0.04 2.99 2.89 2k7hA2 LYS 138 HE3 0.03 0.01 -0.09 -0.04 2.99 2.90 2k7hA2 ALA 139 H -0.06 0.35 -0.10 -0.55 8.40 8.05 2k7hA2 ALA 139 HA -0.13 0.05 0.45 -0.75 4.34 3.95 2k7hA2 ALA 139 HB3 -0.37 0.02 0.08 -0.04 1.41 1.09 2k7hA2 ASP 140 H -0.04 0.62 0.03 -0.55 8.40 8.47 2k7hA2 ASP 140 HA 0.04 -0.03 0.34 -0.75 4.63 4.23 2k7hA2 ASP 140 HB2 -0.01 0.07 0.05 -0.04 2.71 2.78 2k7hA2 ASP 140 HB3 0.01 -0.02 0.00 -0.04 2.70 2.64 2k7hA2 ALA 141 H -0.00 0.50 -0.55 -0.55 8.40 7.80 2k7hA2 ALA 141 HA 0.02 -0.04 0.37 -0.75 4.34 3.94 2k7hA2 ALA 141 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 2k7hA2 LEU 142 H -0.01 0.46 -0.17 -0.55 8.37 8.10 2k7hA2 LEU 142 HA -0.04 0.03 0.44 -0.75 4.35 4.03 2k7hA2 LEU 142 HB2 -0.05 0.03 0.11 -0.04 1.64 1.69 2k7hA2 LEU 142 HB3 -0.04 0.06 0.07 -0.04 1.64 1.69 2k7hA2 LEU 142 HG -0.06 -0.02 -0.04 -0.04 1.64 1.48 2k7hA2 LEU 142 HD13 -0.08 -0.01 -0.24 -0.04 0.93 0.56 2k7hA2 LEU 142 HD23 -0.06 -0.01 -0.01 -0.04 0.89 0.77 2k7hA2 PHE 143 H 0.13 0.55 -0.22 -0.55 8.34 8.24 2k7hA2 PHE 143 HA -0.04 0.00 0.34 -0.75 4.62 4.17 2k7hA2 PHE 143 HB2 -0.03 0.01 0.02 -0.04 3.15 3.10 2k7hA2 PHE 143 HB3 -0.02 0.13 0.18 -0.04 3.06 3.31 2k7hA2 PHE 143 HD2 0.00 0.03 -0.13 -0.04 7.28 7.14 2k7hA2 PHE 143 HE2 0.04 0.03 -0.12 -0.04 7.38 7.29 2k7hA2 PHE 143 HZ 0.04 -0.02 -0.18 -0.04 7.32 7.13 2k7hA2 LYS 144 H 0.17 0.64 -0.10 -0.55 8.42 8.57 2k7hA2 LYS 144 HA 0.00 -0.05 0.37 -0.75 4.32 3.89 2k7hA2 LYS 144 HB2 0.03 0.17 0.10 -0.04 1.87 2.13 2k7hA2 LYS 144 HB3 0.03 -0.05 0.05 -0.04 1.79 1.77 2k7hA2 LYS 144 HG2 0.14 -0.07 0.05 -0.04 1.46 1.54 2k7hA2 LYS 144 HG3 0.14 0.30 0.13 -0.04 1.46 1.99 2k7hA2 LYS 144 HD2 0.04 0.04 0.01 -0.04 1.69 1.73 2k7hA2 LYS 144 HD3 0.04 -0.04 0.01 -0.04 1.68 1.65 2k7hA2 LYS 144 HE2 0.06 0.01 -0.09 -0.04 2.99 2.93 2k7hA2 LYS 144 HE3 0.03 -0.03 -0.05 -0.04 2.99 2.90 2k7hA2 ALA 145 H -0.03 0.34 -0.47 -0.55 8.40 7.69 2k7hA2 ALA 145 HA -0.02 -0.00 0.37 -0.75 4.34 3.93 2k7hA2 ALA 145 HB3 -0.04 0.02 0.07 -0.04 1.41 1.43 2k7hA2 ILE 146 H -0.19 0.49 -0.23 -0.55 8.25 7.77 2k7hA2 ILE 146 HA -0.15 0.05 0.46 -0.75 4.18 3.78 2k7hA2 ILE 146 HB -0.48 0.01 0.07 -0.04 1.89 1.45 2k7hA2 ILE 146 HG12 -0.20 0.29 0.14 -0.04 1.49 1.68 2k7hA2 ILE 146 HG13 -0.18 -0.07 -0.04 -0.04 1.21 0.87 2k7hA2 ILE 146 HG23 -0.22 -0.02 -0.09 -0.04 0.93 0.56 2k7hA2 ILE 146 HD13 -0.16 -0.01 -0.11 -0.04 0.88 0.55 2k7hA2 GLU 147 H -0.39 0.58 -0.02 -0.55 8.60 8.23 2k7hA2 GLU 147 HA -0.15 -0.01 0.42 -0.75 4.29 3.80 2k7hA2 GLU 147 HB2 -0.36 -0.02 0.04 -0.04 2.09 1.71 2k7hA2 GLU 147 HB3 -0.13 0.07 0.14 -0.04 1.99 2.02 2k7hA2 GLU 147 HG2 0.02 0.01 -0.02 -0.04 2.34 2.31 2k7hA2 GLU 147 HG3 -0.03 0.00 -0.19 -0.04 2.34 2.08 2k7hA2 ALA 148 H -0.08 1.01 -0.02 -0.55 8.40 8.76 2k7hA2 ALA 148 HA -0.04 -0.03 0.36 -0.75 4.34 3.87 2k7hA2 ALA 148 HB3 -0.03 0.01 0.06 -0.04 1.41 1.41 2k7hA2 TYR 149 H 0.05 0.37 -0.50 -0.55 8.29 7.66 2k7hA2 TYR 149 HA -0.00 0.04 0.42 -0.75 4.56 4.26 2k7hA2 TYR 149 HB2 -0.07 0.15 0.14 -0.04 3.06 3.24 2k7hA2 TYR 149 HB3 -0.12 0.06 0.12 -0.04 2.98 3.00 2k7hA2 TYR 149 HD2 -0.06 0.04 -0.27 -0.04 7.15 6.81 2k7hA2 TYR 149 HE2 -0.19 -0.01 -0.09 -0.04 6.85 6.52 2k7hA2 LEU 150 H 0.07 0.48 -0.09 -0.55 8.37 8.28 2k7hA2 LEU 150 HA 0.14 0.07 0.39 -0.75 4.35 4.20 2k7hA2 LEU 150 HB2 0.01 0.06 0.16 -0.04 1.64 1.83 2k7hA2 LEU 150 HB3 0.07 -0.05 -0.08 -0.04 1.64 1.54 2k7hA2 LEU 150 HG 0.21 0.03 -0.07 -0.04 1.64 1.77 2k7hA2 LEU 150 HD13 -0.14 0.07 -0.06 -0.04 0.93 0.76 2k7hA2 LEU 150 HD23 0.07 -0.04 -0.19 -0.04 0.89 0.68 2k7hA2 LEU 151 H -0.02 0.64 -0.17 -0.55 8.37 8.28 2k7hA2 LEU 151 HA -0.01 0.02 0.35 -0.75 4.35 3.95 2k7hA2 LEU 151 HB2 -0.05 0.07 0.06 -0.04 1.64 1.68 2k7hA2 LEU 151 HB3 -0.04 -0.06 -0.02 -0.04 1.64 1.49 2k7hA2 LEU 151 HG -0.01 0.12 0.02 -0.04 1.64 1.74 2k7hA2 LEU 151 HD13 -0.00 -0.04 -0.08 -0.04 0.93 0.77 2k7hA2 LEU 151 HD23 0.01 -0.02 -0.13 -0.04 0.89 0.71 2k7hA2 ALA 152 H -0.17 0.41 -0.42 -0.55 8.40 7.67 2k7hA2 ALA 152 HA -0.26 -0.03 0.45 -0.75 4.34 3.75 2k7hA2 ALA 152 HB3 -0.54 0.01 0.12 -0.04 1.41 0.96 2k7hA2 HIS 153 H -0.15 0.33 -0.69 -0.55 8.41 7.36 2k7hA2 HIS 153 HA -0.06 0.12 0.92 -0.75 4.63 4.86 2k7hA2 HIS 153 HB2 -0.04 0.05 0.19 -0.04 3.26 3.42 2k7hA2 HIS 153 HB3 -0.01 -0.16 0.07 -0.04 3.20 3.06 2k7hA2 HIS 153 HD2 -0.12 -0.05 0.01 -0.04 6.97 6.77 2k7hA2 HIS 153 HE1 -0.88 -0.01 -0.05 -0.04 7.75 6.76 2k7hA2 PRO 154 HA 0.05 0.16 0.44 -0.51 4.44 4.59 2k7hA2 PRO 154 HB2 0.02 -0.03 -0.00 -0.04 2.28 2.23 2k7hA2 PRO 154 HB3 0.01 0.05 0.10 -0.04 2.02 2.13 2k7hA2 PRO 154 HG2 0.02 -0.04 0.03 -0.04 2.03 2.00 2k7hA2 PRO 154 HG3 -0.00 0.03 0.04 -0.04 2.03 2.06 2k7hA2 PRO 154 HD2 0.02 0.06 0.20 -0.04 3.68 3.92 2k7hA2 PRO 154 HD3 -0.04 0.29 -0.12 -0.04 3.65 3.73 2k7hA2 ASP 155 H 0.09 0.09 -0.32 -0.55 8.40 7.72 2k7hA2 ASP 155 HA 0.04 0.06 0.41 -0.75 4.63 4.39 2k7hA2 ASP 155 HB2 0.08 0.01 -0.02 -0.04 2.71 2.75 2k7hA2 ASP 155 HB3 0.04 -0.03 0.03 -0.04 2.70 2.71 2k7hA2 TYR 156 H 0.21 0.25 -0.45 -0.55 8.29 7.76 2k7hA2 TYR 156 HA 0.03 -0.01 0.52 -0.75 4.56 4.34 2k7hA2 TYR 156 HB2 0.09 -0.05 0.04 -0.04 3.06 3.09 2k7hA2 TYR 156 HB3 0.09 0.18 0.12 -0.04 2.98 3.33 2k7hA2 TYR 156 HD2 0.03 -0.03 -0.16 -0.04 7.15 6.95 2k7hA2 TYR 156 HE2 -0.02 0.00 -0.08 -0.04 6.85 6.72 2k7hA2 ASN 157 H -0.57 0.13 0.07 -0.55 8.53 7.61 2k7hA2 ASN 157 HA -0.08 0.18 0.55 -0.75 4.76 4.65 2k7hA2 ASN 157 HB2 -0.08 -0.08 0.03 -0.04 2.88 2.72 2k7hA2 ASN 157 HB3 -0.05 0.17 -0.17 -0.04 2.79 2.69 2k7hA2 ASN 157 HD21 -0.05 0.22 -0.32 -0.04 7.03 6.84 2k7hA2 ASN 157 HD22 -0.07 -0.05 0.03 -0.04 7.74 7.61