============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 33 1.000 28.216 6.162 3.749 -99.200 -91.000 TYR 41 0.840 39.849 -8.280 16.005 -99.200 -91.000 TYR 56 0.840 31.370 -8.755 16.308 -99.200 -91.000 PHE 71 1.000 15.794 5.688 2.945 -99.200 -91.000 PHE 88 1.000 31.782 -3.379 8.950 -99.200 -91.000 TYR 92 0.840 20.399 3.646 4.075 -99.200 -91.000 TYR 98 0.840 20.320 7.478 1.175 -99.200 -91.000 PHE 115 1.000 37.397 -4.633 18.703 -99.200 -91.000 PHE 127 1.000 38.166 1.210 8.643 -99.200 -91.000 PHE 143 1.000 30.085 0.680 -2.751 -99.200 -91.000 TRP 145 1.040 22.459 10.349 -4.001 -99.200 -91.000 TRP6 145 1.020 21.128 11.730 -2.634 -99.200 -91.000 TYR 154 0.840 37.156 7.908 1.416 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zv9A1 ALA 2 HA 0.00 -0.06 0.14 -0.75 4.34 3.67 1zv9A1 ALA 2 HB3 0.00 -0.02 -0.03 -0.04 1.41 1.32 1zv9A1 PRO 3 HA 0.01 -0.00 0.49 -0.51 4.44 4.43 1zv9A1 PRO 3 HB2 0.02 0.06 -0.16 -0.04 2.28 2.17 1zv9A1 PRO 3 HB3 0.01 -0.01 0.11 -0.04 2.02 2.08 1zv9A1 PRO 3 HG2 0.02 0.00 0.01 -0.04 2.03 2.03 1zv9A1 PRO 3 HG3 0.01 0.02 0.05 -0.04 2.03 2.07 1zv9A1 PRO 3 HD2 0.01 0.09 0.08 -0.04 3.68 3.81 1zv9A1 PRO 3 HD3 0.01 0.11 0.10 -0.04 3.65 3.82 1zv9A1 THR 4 H 0.01 0.06 0.18 -0.55 8.28 7.98 1zv9A1 THR 4 HA 0.00 0.10 0.45 -0.75 4.39 4.19 1zv9A1 THR 4 HB 0.00 -0.03 0.17 -0.04 4.32 4.43 1zv9A1 THR 4 HG23 -0.00 -0.00 -0.04 -0.04 1.22 1.13 1zv9A1 SER 5 H 0.02 0.07 0.02 -0.55 8.46 8.02 1zv9A1 SER 5 HA -0.00 0.42 0.88 -0.75 4.49 5.03 1zv9A1 SER 5 HB2 0.06 0.14 0.25 -0.04 3.95 4.36 1zv9A1 SER 5 HB3 0.04 -0.03 0.03 -0.04 3.93 3.93 1zv9A1 SER 6 H -0.01 0.50 0.34 -0.55 8.46 8.74 1zv9A1 SER 6 HA 0.14 0.10 0.85 -0.75 4.49 4.82 1zv9A1 SER 6 HB2 0.05 0.07 0.00 -0.04 3.95 4.04 1zv9A1 SER 6 HB3 0.04 0.02 -0.32 -0.04 3.93 3.63 1zv9A1 ILE 7 H 0.13 0.70 0.41 -0.55 8.25 8.94 1zv9A1 ILE 7 HA -0.02 0.30 0.76 -0.75 4.18 4.48 1zv9A1 ILE 7 HB -0.16 -0.03 0.03 -0.04 1.89 1.69 1zv9A1 ILE 7 HG12 0.20 -0.00 -0.18 -0.04 1.49 1.46 1zv9A1 ILE 7 HG13 0.00 0.05 -0.10 -0.04 1.21 1.12 1zv9A1 ILE 7 HG23 0.10 -0.00 -0.02 -0.04 0.93 0.97 1zv9A1 ILE 7 HD13 -0.22 -0.02 -0.12 -0.04 0.88 0.48 1zv9A1 GLU 8 H 0.09 0.56 0.31 -0.55 8.60 9.01 1zv9A1 GLU 8 HA 0.12 0.27 0.88 -0.75 4.29 4.80 1zv9A1 GLU 8 HB2 0.05 -0.01 -0.19 -0.04 2.09 1.89 1zv9A1 GLU 8 HB3 0.04 -0.05 -0.03 -0.04 1.99 1.91 1zv9A1 GLU 8 HG2 0.03 0.02 -0.43 -0.04 2.34 1.92 1zv9A1 GLU 8 HG3 0.03 0.16 0.02 -0.04 2.34 2.51 1zv9A1 ILE 9 H 0.02 0.32 0.17 -0.55 8.25 8.22 1zv9A1 ILE 9 HA 0.04 0.14 0.80 -0.75 4.18 4.40 1zv9A1 ILE 9 HB -0.11 0.01 0.20 -0.04 1.89 1.94 1zv9A1 ILE 9 HG12 -0.23 -0.01 -0.14 -0.04 1.49 1.07 1zv9A1 ILE 9 HG13 -0.28 -0.05 -0.12 -0.04 1.21 0.72 1zv9A1 ILE 9 HG23 -0.04 -0.01 -0.20 -0.04 0.93 0.63 1zv9A1 ILE 9 HD13 -0.92 0.02 -0.21 -0.04 0.88 -0.27 1zv9A1 VAL 10 H 0.03 0.76 0.29 -0.55 8.24 8.77 1zv9A1 VAL 10 HA 0.01 0.14 0.83 -0.75 4.13 4.35 1zv9A1 VAL 10 HB 0.02 -0.03 0.16 -0.04 2.12 2.23 1zv9A1 VAL 10 HG13 0.01 0.01 -0.13 -0.04 0.97 0.82 1zv9A1 VAL 10 HG23 0.02 0.01 -0.17 -0.04 0.95 0.77 1zv9A1 LEU 11 H 0.00 0.19 0.18 -0.55 8.37 8.19 1zv9A1 LEU 11 HA 0.02 0.29 0.92 -0.75 4.35 4.83 1zv9A1 LEU 11 HB2 -0.01 0.12 0.09 -0.04 1.64 1.80 1zv9A1 LEU 11 HB3 0.00 -0.10 0.06 -0.04 1.64 1.56 1zv9A1 LEU 11 HG -0.02 -0.00 -0.05 -0.04 1.64 1.52 1zv9A1 LEU 11 HD13 -0.04 0.03 -0.25 -0.04 0.93 0.64 1zv9A1 LEU 11 HD23 0.00 -0.01 -0.30 -0.04 0.89 0.54 1zv9A1 ASP 12 H 0.02 0.33 0.31 -0.55 8.40 8.50 1zv9A1 ASP 12 HA 0.01 0.16 0.63 -0.75 4.63 4.68 1zv9A1 ASP 12 HB2 0.01 0.00 0.17 -0.04 2.71 2.85 1zv9A1 ASP 12 HB3 0.01 0.03 0.13 -0.04 2.70 2.83 1zv9A1 LYS 13 H 0.00 0.14 -0.16 -0.55 8.42 7.85 1zv9A1 LYS 13 HA -0.00 0.15 0.89 -0.75 4.32 4.60 1zv9A1 LYS 13 HB2 0.00 -0.07 -0.01 -0.04 1.87 1.74 1zv9A1 LYS 13 HB3 -0.00 0.17 0.06 -0.04 1.79 1.98 1zv9A1 LYS 13 HG2 0.00 0.05 0.03 -0.04 1.46 1.50 1zv9A1 LYS 13 HG3 0.00 -0.12 -0.36 -0.04 1.46 0.94 1zv9A1 LYS 13 HD2 0.01 -0.00 0.03 -0.04 1.69 1.68 1zv9A1 LYS 13 HD3 0.00 0.04 0.05 -0.04 1.68 1.73 1zv9A1 LYS 13 HE2 0.00 -0.02 0.04 -0.04 2.99 2.97 1zv9A1 LYS 13 HE3 0.01 -0.04 0.06 -0.04 2.99 2.98 1zv9A1 THR 14 H -0.00 0.12 0.19 -0.55 8.28 8.04 1zv9A1 THR 14 HA -0.01 0.27 0.96 -0.75 4.39 4.85 1zv9A1 THR 14 HB -0.01 -0.02 0.09 -0.04 4.32 4.33 1zv9A1 THR 14 HG23 -0.00 0.03 -0.01 -0.04 1.22 1.20 1zv9A1 THR 15 H -0.01 0.14 0.20 -0.55 8.28 8.06 1zv9A1 THR 15 HA -0.01 0.08 0.87 -0.75 4.39 4.58 1zv9A1 THR 15 HB -0.01 0.04 0.04 -0.04 4.32 4.35 1zv9A1 THR 15 HG23 -0.01 -0.01 -0.12 -0.04 1.22 1.04 1zv9A1 ALA 16 H -0.01 0.28 0.11 -0.55 8.40 8.23 1zv9A1 ALA 16 HA -0.00 0.06 0.52 -0.75 4.34 4.17 1zv9A1 ALA 16 HB3 -0.01 0.05 -0.17 -0.04 1.41 1.25 1zv9A1 SER 17 H -0.00 0.13 0.08 -0.55 8.46 8.12 1zv9A1 SER 17 HA -0.00 0.13 0.74 -0.75 4.49 4.60 1zv9A1 SER 17 HB2 -0.00 0.02 -0.02 -0.04 3.95 3.91 1zv9A1 SER 17 HB3 -0.00 0.07 0.06 -0.04 3.93 4.01 1zv9A1 VAL 18 H -0.00 0.09 0.06 -0.55 8.24 7.84 1zv9A1 VAL 18 HA 0.00 0.15 0.20 -0.75 4.13 3.73 1zv9A1 VAL 18 HB 0.00 -0.06 0.08 -0.04 2.12 2.10 1zv9A1 VAL 18 HG13 0.00 0.04 -0.08 -0.04 0.97 0.88 1zv9A1 VAL 18 HG23 -0.00 -0.01 -0.11 -0.04 0.95 0.78 1zv9A1 GLY 19 H 0.01 0.67 0.30 -0.55 8.43 8.86 1zv9A1 GLY 19 HA2 0.01 -0.01 0.36 -0.51 4.01 3.86 1zv9A1 GLY 19 HA3 0.00 0.11 0.72 -0.51 4.01 4.33 1zv9A1 GLU 20 H 0.00 0.45 -0.15 -0.55 8.60 8.35 1zv9A1 GLU 20 HA 0.00 0.09 0.59 -0.75 4.29 4.22 1zv9A1 GLU 20 HB2 0.00 0.07 0.04 -0.04 2.09 2.16 1zv9A1 GLU 20 HB3 0.00 0.06 0.02 -0.04 1.99 2.04 1zv9A1 GLU 20 HG2 0.00 0.03 0.00 -0.04 2.34 2.33 1zv9A1 GLU 20 HG3 0.00 0.05 -0.06 -0.04 2.34 2.29 1zv9A1 ILE 21 H 0.01 0.16 0.18 -0.55 8.25 8.04 1zv9A1 ILE 21 HA 0.02 0.30 0.93 -0.75 4.18 4.68 1zv9A1 ILE 21 HB 0.00 -0.03 0.06 -0.04 1.89 1.89 1zv9A1 ILE 21 HG12 0.00 0.00 -0.10 -0.04 1.49 1.36 1zv9A1 ILE 21 HG13 -0.00 0.01 -0.07 -0.04 1.21 1.11 1zv9A1 ILE 21 HG23 -0.00 -0.02 -0.28 -0.04 0.93 0.58 1zv9A1 ILE 21 HD13 0.00 0.01 -0.19 -0.04 0.88 0.66 1zv9A1 VAL 22 H 0.06 0.72 0.26 -0.55 8.24 8.73 1zv9A1 VAL 22 HA 0.03 0.11 0.83 -0.75 4.13 4.34 1zv9A1 VAL 22 HB 0.05 0.03 0.02 -0.04 2.12 2.18 1zv9A1 VAL 22 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.74 1zv9A1 VAL 22 HG23 0.00 0.01 -0.23 -0.04 0.95 0.69 1zv9A1 THR 23 H 0.03 0.13 0.14 -0.55 8.28 8.03 1zv9A1 THR 23 HA 0.02 0.21 0.90 -0.75 4.39 4.77 1zv9A1 THR 23 HB 0.01 -0.04 0.12 -0.04 4.32 4.37 1zv9A1 THR 23 HG23 0.00 0.01 -0.25 -0.04 1.22 0.93 1zv9A1 ALA 24 H 0.06 0.82 0.30 -0.55 8.40 9.03 1zv9A1 ALA 24 HA 0.05 0.22 0.77 -0.75 4.34 4.64 1zv9A1 ALA 24 HB3 0.15 -0.00 -0.02 -0.04 1.41 1.50 1zv9A1 SER 25 H 0.03 0.82 0.31 -0.55 8.46 9.07 1zv9A1 SER 25 HA 0.04 0.16 0.93 -0.75 4.49 4.86 1zv9A1 SER 25 HB2 0.03 0.07 0.16 -0.04 3.95 4.16 1zv9A1 SER 25 HB3 0.03 -0.04 -0.02 -0.04 3.93 3.85 1zv9A1 ILE 26 H 0.08 0.69 0.30 -0.55 8.25 8.77 1zv9A1 ILE 26 HA 0.13 0.26 0.97 -0.75 4.18 4.79 1zv9A1 ILE 26 HB 0.19 -0.09 0.17 -0.04 1.89 2.12 1zv9A1 ILE 26 HG12 0.26 0.03 -0.16 -0.04 1.49 1.58 1zv9A1 ILE 26 HG13 0.17 0.00 -0.20 -0.04 1.21 1.14 1zv9A1 ILE 26 HG23 0.29 -0.00 -0.18 -0.04 0.93 0.99 1zv9A1 ILE 26 HD13 0.48 -0.00 -0.17 -0.04 0.88 1.15 1zv9A1 ASN 27 H 0.07 0.78 0.39 -0.55 8.53 9.22 1zv9A1 ASN 27 HA -0.00 0.15 0.93 -0.75 4.76 5.09 1zv9A1 ASN 27 HB2 0.02 0.03 0.09 -0.04 2.88 2.98 1zv9A1 ASN 27 HB3 -0.00 0.05 -0.10 -0.04 2.79 2.70 1zv9A1 ASN 27 HD21 0.01 -0.02 -0.10 -0.04 7.03 6.88 1zv9A1 ASN 27 HD22 0.01 0.03 -0.09 -0.04 7.74 7.66 1zv9A1 ILE 28 H -0.10 0.63 0.43 -0.55 8.25 8.67 1zv9A1 ILE 28 HA -0.11 0.35 1.18 -0.75 4.18 4.84 1zv9A1 ILE 28 HB -0.35 0.06 0.13 -0.04 1.89 1.69 1zv9A1 ILE 28 HG12 -0.30 0.02 -0.03 -0.04 1.49 1.13 1zv9A1 ILE 28 HG13 -0.26 -0.09 -0.27 -0.04 1.21 0.55 1zv9A1 ILE 28 HG23 -0.36 -0.02 -0.07 -0.04 0.93 0.44 1zv9A1 ILE 28 HD13 -1.09 0.02 -0.16 -0.04 0.88 -0.40 1zv9A1 LYS 29 H -0.10 0.62 0.36 -0.55 8.42 8.75 1zv9A1 LYS 29 HA -0.06 -0.01 0.92 -0.75 4.32 4.42 1zv9A1 LYS 29 HB2 -0.03 -0.01 -0.16 -0.04 1.87 1.63 1zv9A1 LYS 29 HB3 -0.02 -0.04 0.06 -0.04 1.79 1.75 1zv9A1 LYS 29 HG2 -0.02 0.14 -0.11 -0.04 1.46 1.42 1zv9A1 LYS 29 HG3 -0.02 -0.10 0.03 -0.04 1.46 1.33 1zv9A1 LYS 29 HD2 -0.01 -0.09 -0.09 -0.04 1.69 1.46 1zv9A1 LYS 29 HD3 -0.00 0.10 -0.18 -0.04 1.68 1.55 1zv9A1 LYS 29 HE2 -0.01 0.09 0.04 -0.04 2.99 3.08 1zv9A1 LYS 29 HE3 -0.01 -0.13 -0.03 -0.04 2.99 2.79 1zv9A1 ASN 30 H -0.05 0.05 0.00 -0.55 8.53 7.98 1zv9A1 ASN 30 HA -0.05 -0.07 0.23 -0.75 4.76 4.12 1zv9A1 ASN 30 HB2 -0.02 0.31 -0.07 -0.04 2.88 3.06 1zv9A1 ASN 30 HB3 -0.02 -0.09 0.14 -0.04 2.79 2.77 1zv9A1 ASN 30 HD21 -0.01 -0.08 0.03 -0.04 7.03 6.92 1zv9A1 ASN 30 HD22 -0.01 0.51 0.10 -0.04 7.74 8.30 1zv9A1 ILE 31 H -0.11 0.62 -0.02 -0.55 8.25 8.19 1zv9A1 ILE 31 HA -0.07 0.13 0.75 -0.75 4.18 4.24 1zv9A1 ILE 31 HB -0.22 -0.01 0.12 -0.04 1.89 1.74 1zv9A1 ILE 31 HG12 -0.23 0.01 -0.14 -0.04 1.49 1.09 1zv9A1 ILE 31 HG13 -0.42 -0.04 -0.04 -0.04 1.21 0.67 1zv9A1 ILE 31 HG23 -0.03 -0.00 -0.16 -0.04 0.93 0.70 1zv9A1 ILE 31 HD13 -0.24 0.03 -0.15 -0.04 0.88 0.49 1zv9A1 THR 32 H -0.04 0.21 0.09 -0.55 8.28 7.99 1zv9A1 THR 32 HA -0.11 -0.01 0.20 -0.75 4.39 3.71 1zv9A1 THR 32 HB -0.05 -0.01 0.11 -0.04 4.32 4.33 1zv9A1 THR 32 HG23 -0.12 -0.00 -0.10 -0.04 1.22 0.96 1zv9A1 ASN 33 H -0.31 0.14 0.16 -0.55 8.53 7.97 1zv9A1 ASN 33 HA -0.91 0.03 0.29 -0.75 4.76 3.42 1zv9A1 ASN 33 HB2 -0.45 0.12 -0.15 -0.04 2.88 2.36 1zv9A1 ASN 33 HB3 -1.71 -0.16 0.21 -0.04 2.79 1.08 1zv9A1 ASN 33 HD21 -0.11 0.05 -0.04 -0.04 7.03 6.89 1zv9A1 ASN 33 HD22 -0.16 -0.01 -0.08 -0.04 7.74 7.44 1zv9A1 PHE 34 H 0.04 0.30 -0.33 -0.55 8.34 7.80 1zv9A1 PHE 34 HA -0.02 0.17 0.32 -0.75 4.62 4.34 1zv9A1 PHE 34 HB2 -0.07 0.06 -0.00 -0.04 3.15 3.09 1zv9A1 PHE 34 HB3 -0.01 0.10 -0.04 -0.04 3.06 3.06 1zv9A1 PHE 34 HD2 -0.03 0.07 -0.06 -0.04 7.28 7.21 1zv9A1 PHE 34 HE2 -0.08 -0.00 -0.10 -0.04 7.38 7.15 1zv9A1 PHE 34 HZ -0.04 -0.00 -0.18 -0.04 7.32 7.05 1zv9A1 SER 35 H -0.42 0.62 0.33 -0.55 8.46 8.45 1zv9A1 SER 35 HA -0.13 0.14 0.94 -0.75 4.49 4.68 1zv9A1 SER 35 HB2 0.05 -0.08 0.07 -0.04 3.95 3.95 1zv9A1 SER 35 HB3 0.32 -0.03 -0.35 -0.04 3.93 3.83 1zv9A1 GLY 36 H -1.43 0.23 0.29 -0.55 8.43 6.97 1zv9A1 GLY 36 HA2 -0.40 0.13 0.54 -0.51 4.01 3.77 1zv9A1 GLY 36 HA3 -0.24 0.04 0.67 -0.51 4.01 3.97 1zv9A1 CYS 37 H 0.06 0.60 0.39 -0.55 8.50 9.01 1zv9A1 CYS 37 HA 0.13 0.24 1.02 -0.75 4.58 5.22 1zv9A1 CYS 37 HB2 0.00 0.09 0.09 -0.04 2.97 3.11 1zv9A1 CYS 37 HB3 0.30 -0.02 -0.17 -0.04 2.97 3.04 1zv9A1 GLN 38 H -0.02 0.69 0.38 -0.55 8.47 8.97 1zv9A1 GLN 38 HA -0.07 0.23 0.75 -0.75 4.36 4.52 1zv9A1 GLN 38 HB2 0.13 -0.03 0.06 -0.04 2.15 2.28 1zv9A1 GLN 38 HB3 0.04 -0.04 0.10 -0.04 2.02 2.07 1zv9A1 GLN 38 HG2 -0.05 0.02 -0.31 -0.04 2.40 2.02 1zv9A1 GLN 38 HG3 -0.03 0.07 -0.11 -0.04 2.39 2.28 1zv9A1 GLN 38 HE21 0.03 0.02 -0.13 -0.04 6.97 6.85 1zv9A1 GLN 38 HE22 0.01 0.01 -0.21 -0.04 7.69 7.46 1zv9A1 LEU 39 H -0.44 0.64 0.32 -0.55 8.37 8.35 1zv9A1 LEU 39 HA -0.29 0.29 1.08 -0.75 4.35 4.67 1zv9A1 LEU 39 HB2 -0.91 -0.03 0.02 -0.04 1.64 0.67 1zv9A1 LEU 39 HB3 -0.31 0.07 0.01 -0.04 1.64 1.36 1zv9A1 LEU 39 HG -0.30 -0.14 -0.38 -0.04 1.64 0.78 1zv9A1 LEU 39 HD13 0.01 -0.00 -0.14 -0.04 0.93 0.76 1zv9A1 LEU 39 HD23 -0.56 0.04 -0.05 -0.04 0.89 0.28 1zv9A1 ASN 40 H -0.03 0.61 0.29 -0.55 8.53 8.86 1zv9A1 ASN 40 HA 0.05 0.24 0.89 -0.75 4.76 5.19 1zv9A1 ASN 40 HB2 0.01 -0.09 -0.05 -0.04 2.88 2.70 1zv9A1 ASN 40 HB3 0.05 0.16 0.23 -0.04 2.79 3.19 1zv9A1 ASN 40 HD21 0.04 -0.08 -0.10 -0.04 7.03 6.84 1zv9A1 ASN 40 HD22 0.06 0.33 -0.01 -0.04 7.74 8.08 1zv9A1 LYS 42 HA 0.01 0.14 0.51 -0.75 4.32 4.22 1zv9A1 LYS 42 HB2 0.02 -0.08 -0.03 -0.04 1.87 1.73 1zv9A1 LYS 42 HB3 0.00 -0.04 0.12 -0.04 1.79 1.83 1zv9A1 LYS 42 HG2 -0.03 -0.08 -0.08 -0.04 1.46 1.23 1zv9A1 LYS 42 HG3 -0.06 0.02 -0.24 -0.04 1.46 1.13 1zv9A1 LYS 42 HD2 -0.12 0.28 0.04 -0.04 1.69 1.85 1zv9A1 LYS 42 HD3 -0.04 -0.14 -0.06 -0.04 1.68 1.40 1zv9A1 LYS 42 HE2 -0.08 -0.04 0.01 -0.04 2.99 2.84 1zv9A1 LYS 42 HE3 -0.06 -0.13 -0.01 -0.04 2.99 2.75 1zv9A1 TYR 43 H -0.28 0.67 0.40 -0.55 8.29 8.52 1zv9A1 TYR 43 HA -0.11 0.29 0.85 -0.75 4.56 4.84 1zv9A1 TYR 43 HB2 -0.30 -0.06 0.06 -0.04 3.06 2.71 1zv9A1 TYR 43 HB3 -0.17 -0.00 -0.09 -0.04 2.98 2.68 1zv9A1 TYR 43 HD2 0.03 0.04 -0.31 -0.04 7.15 6.87 1zv9A1 TYR 43 HE2 0.09 0.06 -0.21 -0.04 6.85 6.74 1zv9A1 ASP 44 H 0.02 0.16 0.17 -0.55 8.40 8.20 1zv9A1 ASP 44 HA -0.10 0.27 0.83 -0.75 4.63 4.88 1zv9A1 ASP 44 HB2 -0.04 0.07 0.15 -0.04 2.71 2.86 1zv9A1 ASP 44 HB3 -0.01 -0.07 0.25 -0.04 2.70 2.82 1zv9A1 PRO 45 HA 0.24 0.31 0.47 -0.51 4.44 4.95 1zv9A1 PRO 45 HB2 0.03 0.02 0.07 -0.04 2.28 2.36 1zv9A1 PRO 45 HB3 -0.05 0.00 0.04 -0.04 2.02 1.98 1zv9A1 PRO 45 HG2 -0.04 -0.03 -0.01 -0.04 2.03 1.91 1zv9A1 PRO 45 HG3 -0.10 0.13 -0.28 -0.04 2.03 1.74 1zv9A1 PRO 45 HD2 -0.10 0.02 0.23 -0.04 3.68 3.79 1zv9A1 PRO 45 HD3 -0.29 0.44 0.14 -0.04 3.65 3.90 1zv9A1 ALA 46 H 0.00 0.07 -0.31 -0.55 8.40 7.61 1zv9A1 ALA 46 HA 0.02 0.15 0.69 -0.75 4.34 4.45 1zv9A1 ALA 46 HB3 -0.00 0.00 0.01 -0.04 1.41 1.38 1zv9A1 VAL 47 H 0.03 0.36 -0.20 -0.55 8.24 7.89 1zv9A1 VAL 47 HA 0.00 0.11 0.86 -0.75 4.13 4.35 1zv9A1 VAL 47 HB -0.02 0.04 0.08 -0.04 2.12 2.19 1zv9A1 VAL 47 HG13 -0.03 0.01 -0.07 -0.04 0.97 0.84 1zv9A1 VAL 47 HG23 -0.01 -0.01 -0.15 -0.04 0.95 0.73 1zv9A1 LEU 48 H 0.08 0.50 0.18 -0.55 8.37 8.58 1zv9A1 LEU 48 HA 0.01 0.31 0.96 -0.75 4.35 4.88 1zv9A1 LEU 48 HB2 -0.17 -0.00 -0.06 -0.04 1.64 1.36 1zv9A1 LEU 48 HB3 -0.30 -0.05 -0.15 -0.04 1.64 1.10 1zv9A1 LEU 48 HG -0.13 -0.07 -0.31 -0.04 1.64 1.08 1zv9A1 LEU 48 HD13 -0.62 -0.01 -0.17 -0.04 0.93 0.09 1zv9A1 LEU 48 HD23 -0.09 0.04 -0.17 -0.04 0.89 0.62 1zv9A1 GLN 49 H 0.09 0.42 0.19 -0.55 8.47 8.63 1zv9A1 GLN 49 HA 0.10 0.23 0.84 -0.75 4.36 4.77 1zv9A1 GLN 49 HB2 0.06 0.10 -0.08 -0.04 2.15 2.19 1zv9A1 GLN 49 HB3 0.04 -0.07 0.08 -0.04 2.02 2.02 1zv9A1 GLN 49 HG2 0.02 -0.03 -0.07 -0.04 2.40 2.28 1zv9A1 GLN 49 HG3 -0.01 -0.03 -0.36 -0.04 2.39 1.95 1zv9A1 GLN 49 HE21 0.05 -0.06 0.07 -0.04 6.97 7.00 1zv9A1 GLN 49 HE22 -0.01 0.43 0.01 -0.04 7.69 8.07 1zv9A1 PRO 50 HA -0.68 0.31 0.73 -0.51 4.44 4.29 1zv9A1 PRO 50 HB2 -1.81 -0.02 -0.05 -0.04 2.28 0.36 1zv9A1 PRO 50 HB3 -1.15 0.03 -0.01 -0.04 2.02 0.85 1zv9A1 PRO 50 HG2 -0.27 -0.06 0.12 -0.04 2.03 1.78 1zv9A1 PRO 50 HG3 -0.28 0.04 -0.02 -0.04 2.03 1.73 1zv9A1 PRO 50 HD2 0.03 0.13 0.23 -0.04 3.68 4.03 1zv9A1 PRO 50 HD3 -0.33 0.18 -0.01 -0.04 3.65 3.45 1zv9A1 VAL 51 H -0.32 0.70 0.35 -0.55 8.24 8.42 1zv9A1 VAL 51 HA 0.09 0.22 0.71 -0.75 4.13 4.39 1zv9A1 VAL 51 HB 0.01 -0.09 -0.30 -0.04 2.12 1.69 1zv9A1 VAL 51 HG13 -0.01 0.01 -0.37 -0.04 0.97 0.56 1zv9A1 VAL 51 HG23 -0.05 0.01 -0.18 -0.04 0.95 0.69 1zv9A1 THR 52 H 0.11 0.61 0.12 -0.55 8.28 8.57 1zv9A1 THR 52 HA 0.09 0.13 0.55 -0.75 4.39 4.41 1zv9A1 THR 52 HB -0.05 -0.03 0.16 -0.04 4.32 4.36 1zv9A1 THR 52 HG23 -0.12 0.11 -0.01 -0.04 1.22 1.16 1zv9A1 SER 53 H -0.02 0.16 0.16 -0.55 8.46 8.22 1zv9A1 SER 53 HA -0.01 0.14 0.36 -0.75 4.49 4.22 1zv9A1 SER 53 HB2 -0.01 0.07 0.09 -0.04 3.95 4.06 1zv9A1 SER 53 HB3 -0.02 0.01 0.15 -0.04 3.93 4.03 1zv9A1 SER 54 H -0.01 -0.04 -0.33 -0.55 8.46 7.53 1zv9A1 SER 54 HA -0.01 0.24 0.73 -0.75 4.49 4.70 1zv9A1 SER 54 HB2 -0.01 0.06 0.11 -0.04 3.95 4.08 1zv9A1 SER 54 HB3 -0.01 -0.00 0.01 -0.04 3.93 3.88 1zv9A1 GLY 55 H 0.00 0.48 -0.42 -0.55 8.43 7.94 1zv9A1 GLY 55 HA2 0.00 0.08 0.17 -0.51 4.01 3.74 1zv9A1 GLY 55 HA3 0.00 0.15 0.46 -0.51 4.01 4.11 1zv9A1 VAL 56 H 0.01 -0.08 -0.17 -0.55 8.24 7.45 1zv9A1 VAL 56 HA 0.02 0.15 0.54 -0.75 4.13 4.09 1zv9A1 VAL 56 HB -0.00 -0.13 0.04 -0.04 2.12 1.98 1zv9A1 VAL 56 HG13 0.01 0.07 -0.10 -0.04 0.97 0.91 1zv9A1 VAL 56 HG23 -0.00 0.01 -0.13 -0.04 0.95 0.79 1zv9A1 ALA 57 H 0.04 0.13 0.17 -0.55 8.40 8.19 1zv9A1 ALA 57 HA 0.07 0.21 0.51 -0.75 4.34 4.38 1zv9A1 ALA 57 HB3 0.05 0.01 0.09 -0.04 1.41 1.52 1zv9A1 TYR 58 H 0.24 0.46 0.20 -0.55 8.29 8.64 1zv9A1 TYR 58 HA -0.02 -0.05 0.43 -0.75 4.56 4.17 1zv9A1 TYR 58 HB2 0.00 0.03 0.07 -0.04 3.06 3.13 1zv9A1 TYR 58 HB3 0.01 0.09 -0.04 -0.04 2.98 3.00 1zv9A1 TYR 58 HD2 -0.04 0.04 -0.17 -0.04 7.15 6.94 1zv9A1 TYR 58 HE2 -0.13 0.03 -0.42 -0.04 6.85 6.28 1zv9A1 THR 59 H 0.01 0.04 0.17 -0.55 8.28 7.95 1zv9A1 THR 59 HA 0.07 0.25 0.72 -0.75 4.39 4.68 1zv9A1 THR 59 HB 0.03 -0.07 0.20 -0.04 4.32 4.44 1zv9A1 THR 59 HG23 0.02 0.07 -0.06 -0.04 1.22 1.21 1zv9A1 LYS 60 H 0.04 0.18 0.15 -0.55 8.42 8.24 1zv9A1 LYS 60 HA 0.08 0.00 0.35 -0.75 4.32 4.00 1zv9A1 LYS 60 HB2 0.03 0.00 0.17 -0.04 1.87 2.04 1zv9A1 LYS 60 HB3 0.04 0.00 0.13 -0.04 1.79 1.93 1zv9A1 LYS 60 HG2 0.05 0.28 0.17 -0.04 1.46 1.92 1zv9A1 LYS 60 HG3 0.05 -0.10 0.13 -0.04 1.46 1.49 1zv9A1 LYS 60 HD2 0.03 -0.02 0.08 -0.04 1.69 1.74 1zv9A1 LYS 60 HD3 0.03 0.04 0.08 -0.04 1.68 1.79 1zv9A1 LYS 60 HE2 0.03 0.00 0.09 -0.04 2.99 3.07 1zv9A1 LYS 60 HE3 0.03 -0.04 0.07 -0.04 2.99 3.01 1zv9A1 SER 61 H 0.01 0.02 -0.28 -0.55 8.46 7.66 1zv9A1 SER 61 HA 0.02 0.37 0.72 -0.75 4.49 4.85 1zv9A1 SER 61 HB2 -0.00 0.05 0.19 -0.04 3.95 4.14 1zv9A1 SER 61 HB3 0.01 0.01 0.06 -0.04 3.93 3.96 1zv9A1 THR 62 H -0.03 0.33 -0.33 -0.55 8.28 7.69 1zv9A1 THR 62 HA -0.18 0.13 0.16 -0.75 4.39 3.75 1zv9A1 THR 62 HB -0.43 0.10 0.09 -0.04 4.32 4.04 1zv9A1 THR 62 HG23 -0.82 0.03 -0.04 -0.04 1.22 0.34 1zv9A1 PRO 64 HA -0.04 -0.11 0.19 -0.51 4.44 3.98 1zv9A1 PRO 64 HB2 -0.27 0.05 -0.08 -0.04 2.28 1.93 1zv9A1 PRO 64 HB3 -0.21 -0.03 -0.11 -0.04 2.02 1.62 1zv9A1 PRO 64 HG2 -1.23 -0.00 -0.09 -0.04 2.03 0.67 1zv9A1 PRO 64 HG3 -1.11 -0.02 -0.05 -0.04 2.03 0.81 1zv9A1 PRO 64 HD2 -0.52 -0.02 -0.15 -0.04 3.68 2.95 1zv9A1 PRO 64 HD3 -0.49 0.02 -0.06 -0.04 3.65 3.08 1zv9A1 GLY 65 H -0.05 0.43 0.29 -0.55 8.43 8.55 1zv9A1 GLY 65 HA2 -0.07 0.01 0.64 -0.51 4.01 4.08 1zv9A1 GLY 65 HA3 -0.05 0.01 0.40 -0.51 4.01 3.87 1zv9A1 ALA 66 H -0.03 0.04 0.18 -0.55 8.40 8.04 1zv9A1 ALA 66 HA -0.02 0.12 0.47 -0.75 4.34 4.16 1zv9A1 ALA 66 HB3 -0.01 0.01 0.07 -0.04 1.41 1.45 1zv9A1 GLY 67 H 0.01 0.23 -0.08 -0.55 8.43 8.05 1zv9A1 GLY 67 HA2 0.01 0.12 0.61 -0.51 4.01 4.24 1zv9A1 GLY 67 HA3 0.02 0.05 0.15 -0.51 4.01 3.72 1zv9A1 THR 68 H 0.03 0.30 0.31 -0.55 8.28 8.36 1zv9A1 THR 68 HA 0.04 0.23 0.88 -0.75 4.39 4.79 1zv9A1 THR 68 HB 0.03 0.04 0.15 -0.04 4.32 4.51 1zv9A1 THR 68 HG23 0.02 0.01 -0.07 -0.04 1.22 1.14 1zv9A1 ILE 69 H 0.05 0.47 0.16 -0.55 8.25 8.39 1zv9A1 ILE 69 HA 0.13 0.12 0.62 -0.75 4.18 4.29 1zv9A1 ILE 69 HB 0.17 -0.07 0.07 -0.04 1.89 2.01 1zv9A1 ILE 69 HG12 0.04 -0.16 -0.50 -0.04 1.49 0.82 1zv9A1 ILE 69 HG13 0.09 0.05 -0.44 -0.04 1.21 0.88 1zv9A1 ILE 69 HG23 0.08 0.02 -0.17 -0.04 0.93 0.83 1zv9A1 ILE 69 HD13 0.00 0.05 -0.44 -0.04 0.88 0.45 1zv9A1 LEU 70 H 0.19 0.14 0.09 -0.55 8.37 8.24 1zv9A1 LEU 70 HA -0.17 -0.02 0.29 -0.75 4.35 3.69 1zv9A1 LEU 70 HB2 0.01 0.27 0.13 -0.04 1.64 2.02 1zv9A1 LEU 70 HB3 -0.15 -0.03 0.16 -0.04 1.64 1.59 1zv9A1 LEU 70 HG 0.15 -0.05 -0.23 -0.04 1.64 1.47 1zv9A1 LEU 70 HD13 0.09 0.00 -0.08 -0.04 0.93 0.90 1zv9A1 LEU 70 HD23 -0.64 -0.03 -0.13 -0.04 0.89 0.05 1zv9A1 ASN 71 H 0.18 0.02 -0.27 -0.55 8.53 7.92 1zv9A1 ASN 71 HA 0.08 0.25 0.80 -0.75 4.76 5.13 1zv9A1 ASN 71 HB2 0.08 -0.01 -0.20 -0.04 2.88 2.72 1zv9A1 ASN 71 HB3 0.05 -0.01 0.04 -0.04 2.79 2.83 1zv9A1 ASN 71 HD21 0.03 0.37 -0.41 -0.04 7.03 6.99 1zv9A1 ASN 71 HD22 0.05 -0.02 -0.29 -0.04 7.74 7.44 1zv9A1 SER 72 H 0.36 -0.01 -0.07 -0.55 8.46 8.20 1zv9A1 SER 72 HA -0.01 0.22 0.70 -0.75 4.49 4.64 1zv9A1 SER 72 HB2 0.11 -0.04 0.00 -0.04 3.95 3.98 1zv9A1 SER 72 HB3 -0.30 0.04 -0.03 -0.04 3.93 3.60 1zv9A1 ASP 73 H -0.24 0.22 0.08 -0.55 8.40 7.91 1zv9A1 ASP 73 HA -0.06 0.11 0.57 -0.75 4.63 4.49 1zv9A1 ASP 73 HB2 -0.09 0.08 0.12 -0.04 2.71 2.77 1zv9A1 ASP 73 HB3 -0.19 0.04 0.24 -0.04 2.70 2.75 1zv9A1 PHE 74 H -0.14 0.49 -0.30 -0.55 8.34 7.84 1zv9A1 PHE 74 HA -0.12 0.22 0.76 -0.75 4.62 4.73 1zv9A1 PHE 74 HB2 -0.96 0.02 0.05 -0.04 3.15 2.21 1zv9A1 PHE 74 HB3 -0.26 0.01 0.14 -0.04 3.06 2.91 1zv9A1 PHE 74 HD2 -0.74 -0.02 -0.08 -0.04 7.28 6.40 1zv9A1 PHE 74 HE2 -0.01 0.05 -0.14 -0.04 7.38 7.23 1zv9A1 PHE 74 HZ 0.05 0.07 -0.05 -0.04 7.32 7.35 1zv9A1 ASN 75 H 0.00 0.16 -0.44 -0.55 8.53 7.71 1zv9A1 ASN 75 HA 0.03 0.08 0.30 -0.75 4.76 4.42 1zv9A1 ASN 75 HB2 0.03 0.02 -0.07 -0.04 2.88 2.82 1zv9A1 ASN 75 HB3 0.05 -0.08 0.12 -0.04 2.79 2.84 1zv9A1 ASN 75 HD21 0.01 0.04 -0.03 -0.04 7.03 7.02 1zv9A1 ASN 75 HD22 0.02 -0.05 -0.04 -0.04 7.74 7.63 1zv9A1 LEU 76 H 0.09 0.08 0.01 -0.55 8.37 8.00 1zv9A1 LEU 76 HA 0.13 0.13 0.37 -0.75 4.35 4.23 1zv9A1 LEU 76 HB2 0.16 0.01 -0.00 -0.04 1.64 1.77 1zv9A1 LEU 76 HB3 0.05 -0.02 0.04 -0.04 1.64 1.67 1zv9A1 LEU 76 HG 0.00 0.03 -0.27 -0.04 1.64 1.37 1zv9A1 LEU 76 HD13 -0.12 -0.01 -0.22 -0.04 0.93 0.54 1zv9A1 LEU 76 HD23 0.02 0.02 -0.05 -0.04 0.89 0.83 1zv9A1 ARG 77 H 0.01 0.73 0.42 -0.55 8.46 9.07 1zv9A1 ARG 77 HA 0.01 0.12 0.89 -0.75 4.34 4.61 1zv9A1 ARG 77 HB2 -0.01 0.02 0.07 -0.04 1.90 1.95 1zv9A1 ARG 77 HB3 -0.03 0.00 0.15 -0.04 1.80 1.89 1zv9A1 ARG 77 HG2 -0.00 -0.03 -0.36 -0.04 1.67 1.24 1zv9A1 ARG 77 HG3 -0.00 0.01 -0.04 -0.04 1.67 1.60 1zv9A1 ARG 77 HD2 -0.03 0.01 -0.04 -0.04 3.22 3.12 1zv9A1 ARG 77 HD3 -0.05 -0.02 -0.09 -0.04 3.22 3.03 1zv9A1 GLN 78 H 0.01 0.26 0.12 -0.55 8.47 8.31 1zv9A1 GLN 78 HA 0.04 0.35 1.04 -0.75 4.36 5.03 1zv9A1 GLN 78 HB2 -0.00 -0.03 0.15 -0.04 2.15 2.23 1zv9A1 GLN 78 HB3 0.00 0.04 0.03 -0.04 2.02 2.05 1zv9A1 GLN 78 HG2 0.01 0.03 -0.07 -0.04 2.40 2.33 1zv9A1 GLN 78 HG3 0.00 -0.06 -0.36 -0.04 2.39 1.94 1zv9A1 GLN 78 HE21 -0.02 -0.01 -0.01 -0.04 6.97 6.89 1zv9A1 GLN 78 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 1zv9A1 VAL 79 H 0.07 0.51 0.30 -0.55 8.24 8.57 1zv9A1 VAL 79 HA 0.03 0.16 0.81 -0.75 4.13 4.38 1zv9A1 VAL 79 HB 0.04 -0.07 0.07 -0.04 2.12 2.13 1zv9A1 VAL 79 HG13 0.03 0.01 -0.10 -0.04 0.97 0.88 1zv9A1 VAL 79 HG23 0.01 -0.01 -0.18 -0.04 0.95 0.73 1zv9A1 ALA 80 H 0.04 0.23 0.21 -0.55 8.40 8.34 1zv9A1 ALA 80 HA 0.15 0.25 1.12 -0.75 4.34 5.11 1zv9A1 ALA 80 HB3 0.08 -0.01 -0.12 -0.04 1.41 1.31 1zv9A1 ASP 81 H 0.12 0.68 0.18 -0.55 8.40 8.83 1zv9A1 ASP 81 HA 0.06 0.10 0.74 -0.75 4.63 4.78 1zv9A1 ASP 81 HB2 0.05 0.01 -0.14 -0.04 2.71 2.58 1zv9A1 ASP 81 HB3 0.06 -0.02 0.15 -0.04 2.70 2.85 1zv9A1 ASN 82 H 0.09 0.62 0.31 -0.55 8.53 9.00 1zv9A1 ASN 82 HA 0.13 0.11 0.75 -0.75 4.76 4.99 1zv9A1 ASN 82 HB2 0.14 -0.13 -0.00 -0.04 2.88 2.85 1zv9A1 ASN 82 HB3 0.19 0.10 0.08 -0.04 2.79 3.12 1zv9A1 ASN 82 HD21 0.14 0.46 -0.05 -0.04 7.03 7.54 1zv9A1 ASN 82 HD22 0.16 0.19 -0.00 -0.04 7.74 8.04 1zv9A1 ASP 83 H 0.09 0.65 0.26 -0.55 8.40 8.86 1zv9A1 ASP 83 HA 0.05 0.11 0.86 -0.75 4.63 4.90 1zv9A1 ASP 83 HB2 0.04 0.12 0.02 -0.04 2.71 2.84 1zv9A1 ASP 83 HB3 0.02 0.01 0.24 -0.04 2.70 2.93 1zv9A1 LEU 84 H 0.07 0.20 0.04 -0.55 8.37 8.13 1zv9A1 LEU 84 HA 0.13 0.12 0.36 -0.75 4.35 4.22 1zv9A1 LEU 84 HB2 0.08 -0.03 0.05 -0.04 1.64 1.70 1zv9A1 LEU 84 HB3 0.11 0.10 0.05 -0.04 1.64 1.86 1zv9A1 LEU 84 HG 0.14 0.21 -0.10 -0.04 1.64 1.85 1zv9A1 LEU 84 HD13 0.22 0.00 -0.17 -0.04 0.93 0.94 1zv9A1 LEU 84 HD23 0.12 -0.02 -0.38 -0.04 0.89 0.57 1zv9A1 GLU 85 H 0.03 -0.01 -0.12 -0.55 8.60 7.95 1zv9A1 GLU 85 HA 0.01 0.19 0.61 -0.75 4.29 4.36 1zv9A1 GLU 85 HB2 0.01 -0.05 0.06 -0.04 2.09 2.08 1zv9A1 GLU 85 HB3 0.00 0.07 0.05 -0.04 1.99 2.07 1zv9A1 GLU 85 HG2 0.03 -0.11 0.04 -0.04 2.34 2.26 1zv9A1 GLU 85 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 1zv9A1 LYS 86 H -0.02 -0.00 -0.22 -0.55 8.42 7.62 1zv9A1 LYS 86 HA -0.06 0.18 0.66 -0.75 4.32 4.35 1zv9A1 LYS 86 HB2 -0.03 -0.04 0.05 -0.04 1.87 1.81 1zv9A1 LYS 86 HB3 -0.05 0.06 0.03 -0.04 1.79 1.80 1zv9A1 LYS 86 HG2 -0.02 0.06 -0.02 -0.04 1.46 1.43 1zv9A1 LYS 86 HG3 -0.01 -0.11 -0.05 -0.04 1.46 1.24 1zv9A1 LYS 86 HD2 -0.00 -0.03 -0.00 -0.04 1.69 1.62 1zv9A1 LYS 86 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.66 1zv9A1 LYS 86 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 1zv9A1 LYS 86 HE3 -0.00 -0.03 -0.01 -0.04 2.99 2.90 1zv9A1 GLY 87 H -0.13 0.08 -0.19 -0.55 8.43 7.64 1zv9A1 GLY 87 HA2 -0.86 -0.02 0.27 -0.51 4.01 2.90 1zv9A1 GLY 87 HA3 -0.77 0.35 0.74 -0.51 4.01 3.82 1zv9A1 ILE 88 H -0.04 0.48 0.19 -0.55 8.25 8.34 1zv9A1 ILE 88 HA 0.05 0.28 0.99 -0.75 4.18 4.75 1zv9A1 ILE 88 HB 0.04 -0.17 0.15 -0.04 1.89 1.87 1zv9A1 ILE 88 HG12 -0.00 0.13 -0.12 -0.04 1.49 1.46 1zv9A1 ILE 88 HG13 -0.05 -0.01 -0.52 -0.04 1.21 0.59 1zv9A1 ILE 88 HG23 0.07 0.00 -0.20 -0.04 0.93 0.77 1zv9A1 ILE 88 HD13 0.00 -0.02 -0.05 -0.04 0.88 0.77 1zv9A1 LEU 89 H 0.25 0.34 0.14 -0.55 8.37 8.56 1zv9A1 LEU 89 HA 0.26 0.06 0.84 -0.75 4.35 4.76 1zv9A1 LEU 89 HB2 0.37 0.04 0.08 -0.04 1.64 2.08 1zv9A1 LEU 89 HB3 0.39 0.04 -0.03 -0.04 1.64 2.00 1zv9A1 LEU 89 HG 0.44 0.00 -0.20 -0.04 1.64 1.84 1zv9A1 LEU 89 HD13 -0.00 0.01 -0.11 -0.04 0.93 0.78 1zv9A1 LEU 89 HD23 0.25 0.03 -0.15 -0.04 0.89 0.98 1zv9A1 ASN 90 H 0.21 0.18 -0.06 -0.55 8.53 8.32 1zv9A1 ASN 90 HA 0.05 0.43 1.11 -0.75 4.76 5.60 1zv9A1 ASN 90 HB2 0.08 -0.05 -0.05 -0.04 2.88 2.81 1zv9A1 ASN 90 HB3 0.09 0.13 0.14 -0.04 2.79 3.11 1zv9A1 ASN 90 HD21 0.00 -0.04 -0.19 -0.04 7.03 6.77 1zv9A1 ASN 90 HD22 0.03 -0.04 -0.06 -0.04 7.74 7.63 1zv9A1 PHE 91 H -0.30 0.59 0.30 -0.55 8.34 8.37 1zv9A1 PHE 91 HA 0.05 0.28 1.06 -0.75 4.62 5.26 1zv9A1 PHE 91 HB2 0.04 0.04 -0.07 -0.04 3.15 3.12 1zv9A1 PHE 91 HB3 0.07 0.02 -0.26 -0.04 3.06 2.86 1zv9A1 PHE 91 HD2 0.09 -0.04 -0.37 -0.04 7.28 6.91 1zv9A1 PHE 91 HE2 0.13 0.01 -0.18 -0.04 7.38 7.29 1zv9A1 PHE 91 HZ 0.16 -0.02 -0.17 -0.04 7.32 7.25 1zv9A1 SER 92 H 0.18 0.69 0.39 -0.55 8.46 9.18 1zv9A1 SER 92 HA 0.06 0.00 1.06 -0.75 4.49 4.86 1zv9A1 SER 92 HB2 0.05 0.00 0.16 -0.04 3.95 4.12 1zv9A1 SER 92 HB3 0.04 0.00 0.05 -0.04 3.93 3.98 1zv9A1 LYS 93 H 0.10 0.67 0.30 -0.55 8.42 8.92 1zv9A1 LYS 93 HA 0.04 0.00 0.97 -0.75 4.32 4.57 1zv9A1 LYS 93 HB2 0.22 0.00 -0.23 -0.04 1.87 1.82 1zv9A1 LYS 93 HB3 0.15 0.00 0.15 -0.04 1.79 2.05 1zv9A1 LYS 93 HG2 -0.02 0.00 -0.05 -0.04 1.46 1.35 1zv9A1 LYS 93 HG3 0.01 0.00 0.05 -0.04 1.46 1.49 1zv9A1 LYS 93 HD2 0.00 -0.03 -0.04 -0.04 1.69 1.59 1zv9A1 LYS 93 HD3 0.10 0.00 -0.00 -0.04 1.68 1.73 1zv9A1 LYS 93 HE2 -0.01 0.00 0.04 -0.04 2.99 2.97 1zv9A1 LYS 93 HE3 0.01 0.03 0.10 -0.04 2.99 3.10 1zv9A1 ALA 94 H -0.06 0.55 0.34 -0.55 8.40 8.68 1zv9A1 ALA 94 HA -0.27 0.17 1.01 -0.75 4.34 4.49 1zv9A1 ALA 94 HB3 -0.14 0.02 -0.11 -0.04 1.41 1.14 1zv9A1 TYR 95 H -0.31 0.60 0.31 -0.55 8.29 8.34 1zv9A1 TYR 95 HA -0.05 0.04 0.59 -0.75 4.56 4.39 1zv9A1 TYR 95 HB2 -0.34 0.05 0.13 -0.04 3.06 2.86 1zv9A1 TYR 95 HB3 -0.15 -0.01 -0.05 -0.04 2.98 2.73 1zv9A1 TYR 95 HD2 -0.67 0.03 -0.05 -0.04 7.15 6.42 1zv9A1 TYR 95 HE2 -0.09 0.11 -0.02 -0.04 6.85 6.82 1zv9A1 VAL 96 H 0.11 0.51 0.30 -0.55 8.24 8.61 1zv9A1 VAL 96 HA -0.00 0.13 0.77 -0.75 4.13 4.28 1zv9A1 VAL 96 HB 0.03 0.09 0.21 -0.04 2.12 2.40 1zv9A1 VAL 96 HG13 -0.00 -0.03 -0.02 -0.04 0.97 0.88 1zv9A1 VAL 96 HG23 -0.00 0.01 0.01 -0.04 0.95 0.93 1zv9A1 SER 97 H 0.08 0.61 0.10 -0.55 8.46 8.71 1zv9A1 SER 97 HA 0.03 0.11 0.61 -0.75 4.49 4.48 1zv9A1 SER 97 HB2 0.16 -0.02 0.13 -0.04 3.95 4.18 1zv9A1 SER 97 HB3 0.09 -0.09 0.13 -0.04 3.93 4.01 1zv9A1 LEU 98 H 0.01 0.54 0.00 -0.55 8.37 8.37 1zv9A1 LEU 98 HA 0.05 0.06 0.24 -0.75 4.35 3.95 1zv9A1 LEU 98 HB2 -0.01 -0.00 0.06 -0.04 1.64 1.65 1zv9A1 LEU 98 HB3 0.02 0.23 0.04 -0.04 1.64 1.89 1zv9A1 LEU 98 HG 0.02 0.08 -0.19 -0.04 1.64 1.52 1zv9A1 LEU 98 HD13 0.02 0.00 -0.19 -0.04 0.93 0.72 1zv9A1 LEU 98 HD23 0.14 -0.01 -0.10 -0.04 0.89 0.88 1zv9A1 ASP 99 H -0.04 0.12 -0.04 -0.55 8.40 7.89 1zv9A1 ASP 99 HA -0.14 0.00 0.50 -0.75 4.63 4.24 1zv9A1 ASP 99 HB2 -0.06 0.00 0.10 -0.04 2.71 2.72 1zv9A1 ASP 99 HB3 -0.03 -0.07 0.08 -0.04 2.70 2.64 1zv9A1 ASP 100 H -0.01 0.11 -0.24 -0.55 8.40 7.72 1zv9A1 ASP 100 HA 0.00 0.09 0.33 -0.75 4.63 4.30 1zv9A1 ASP 100 HB2 0.18 0.10 0.10 -0.04 2.71 3.05 1zv9A1 ASP 100 HB3 0.28 0.04 -0.03 -0.04 2.70 2.96 1zv9A1 TYR 101 H -0.10 0.42 -0.15 -0.55 8.29 7.91 1zv9A1 TYR 101 HA -1.15 0.03 0.46 -0.75 4.56 3.14 1zv9A1 TYR 101 HB2 -0.78 0.01 0.05 -0.04 3.06 2.30 1zv9A1 TYR 101 HB3 -0.27 0.07 0.13 -0.04 2.98 2.86 1zv9A1 TYR 101 HD2 -0.61 0.01 -0.01 -0.04 7.15 6.49 1zv9A1 TYR 101 HE2 0.17 0.09 -0.07 -0.04 6.85 7.00 1zv9A1 ARG 102 H -0.36 0.73 -0.02 -0.55 8.46 8.26 1zv9A1 ARG 102 HA -1.76 -0.02 0.46 -0.75 4.34 2.26 1zv9A1 ARG 102 HB2 -0.53 0.05 0.19 -0.04 1.90 1.57 1zv9A1 ARG 102 HB3 -0.94 -0.04 0.02 -0.04 1.80 0.80 1zv9A1 ARG 102 HG2 -2.43 -0.12 0.04 -0.04 1.67 -0.89 1zv9A1 ARG 102 HG3 -0.59 0.24 0.14 -0.04 1.67 1.41 1zv9A1 ARG 102 HD2 -0.71 -0.05 -0.03 -0.04 3.22 2.38 1zv9A1 ARG 102 HD3 -0.47 0.03 -0.14 -0.04 3.22 2.59 1zv9A1 THR 103 H -0.26 0.45 -0.28 -0.55 8.28 7.64 1zv9A1 THR 103 HA -0.17 0.01 0.37 -0.75 4.39 3.85 1zv9A1 THR 103 HB -0.06 0.07 0.14 -0.04 4.32 4.42 1zv9A1 THR 103 HG23 -0.04 -0.02 -0.04 -0.04 1.22 1.08 1zv9A1 ALA 104 H -0.12 0.39 -0.25 -0.55 8.40 7.87 1zv9A1 ALA 104 HA 0.03 0.02 0.44 -0.75 4.34 4.08 1zv9A1 ALA 104 HB3 0.12 0.00 0.08 -0.04 1.41 1.57 1zv9A1 ALA 105 H -0.13 0.30 -0.38 -0.55 8.40 7.65 1zv9A1 ALA 105 HA 0.20 -0.02 0.30 -0.75 4.34 4.07 1zv9A1 ALA 105 HB3 0.03 0.03 -0.04 -0.04 1.41 1.39 1zv9A1 ALA 106 H 0.11 0.05 -0.31 -0.55 8.40 7.70 1zv9A1 ALA 106 HA 0.06 0.15 0.73 -0.75 4.34 4.53 1zv9A1 ALA 106 HB3 0.09 0.01 -0.02 -0.04 1.41 1.45 1zv9A1 PRO 107 HA -0.06 0.05 0.27 -0.51 4.44 4.20 1zv9A1 PRO 107 HB2 -0.29 -0.04 -0.07 -0.04 2.28 1.83 1zv9A1 PRO 107 HB3 -0.90 0.04 0.03 -0.04 2.02 1.15 1zv9A1 PRO 107 HG2 -0.22 0.00 0.07 -0.04 2.03 1.85 1zv9A1 PRO 107 HG3 -0.65 0.02 0.06 -0.04 2.03 1.42 1zv9A1 PRO 107 HD2 -0.02 0.19 0.01 -0.04 3.68 3.82 1zv9A1 PRO 107 HD3 0.05 0.09 -0.07 -0.04 3.65 3.68 1zv9A1 GLU 108 H 0.42 0.20 0.12 -0.55 8.60 8.79 1zv9A1 GLU 108 HA 0.14 0.14 0.66 -0.75 4.29 4.48 1zv9A1 GLU 108 HB2 0.40 0.01 0.19 -0.04 2.09 2.65 1zv9A1 GLU 108 HB3 0.22 -0.02 0.08 -0.04 1.99 2.24 1zv9A1 GLU 108 HG2 0.24 0.12 0.04 -0.04 2.34 2.69 1zv9A1 GLU 108 HG3 0.44 0.06 0.08 -0.04 2.34 2.88 1zv9A1 GLN 109 H 0.03 0.37 0.11 -0.55 8.47 8.44 1zv9A1 GLN 109 HA 0.01 0.20 0.47 -0.75 4.36 4.28 1zv9A1 GLN 109 HB2 -0.04 0.05 0.03 -0.04 2.15 2.15 1zv9A1 GLN 109 HB3 -0.06 -0.12 -0.09 -0.04 2.02 1.71 1zv9A1 GLN 109 HG2 -0.09 -0.05 -0.06 -0.04 2.40 2.16 1zv9A1 GLN 109 HG3 -0.07 0.22 -0.16 -0.04 2.39 2.35 1zv9A1 GLN 109 HE21 -0.07 0.03 -0.04 -0.04 6.97 6.85 1zv9A1 GLN 109 HE22 -0.05 0.02 -0.05 -0.04 7.69 7.57 1zv9A1 THR 110 H -0.00 0.21 -0.10 -0.55 8.28 7.83 1zv9A1 THR 110 HA -0.09 0.25 0.67 -0.75 4.39 4.47 1zv9A1 THR 110 HB -0.01 0.00 0.07 -0.04 4.32 4.34 1zv9A1 THR 110 HG23 -0.02 0.04 0.00 -0.04 1.22 1.21 1zv9A1 GLY 111 H -0.07 0.66 0.31 -0.55 8.43 8.79 1zv9A1 GLY 111 HA2 -0.00 0.05 0.28 -0.51 4.01 3.83 1zv9A1 GLY 111 HA3 0.01 0.12 0.59 -0.51 4.01 4.21 1zv9A1 THR 112 H 0.01 0.11 0.14 -0.55 8.28 8.00 1zv9A1 THR 112 HA 0.01 0.33 0.84 -0.75 4.39 4.82 1zv9A1 THR 112 HB 0.02 -0.21 0.22 -0.04 4.32 4.31 1zv9A1 THR 112 HG23 0.03 0.00 -0.12 -0.04 1.22 1.09 1zv9A1 VAL 113 H 0.03 0.68 0.35 -0.55 8.24 8.74 1zv9A1 VAL 113 HA 0.06 0.09 0.49 -0.75 4.13 4.03 1zv9A1 VAL 113 HB 0.15 -0.01 -0.01 -0.04 2.12 2.22 1zv9A1 VAL 113 HG13 -0.04 -0.01 -0.15 -0.04 0.97 0.74 1zv9A1 VAL 113 HG23 0.13 0.05 -0.10 -0.04 0.95 0.98 1zv9A1 ALA 114 H 0.06 0.23 0.04 -0.55 8.40 8.18 1zv9A1 ALA 114 HA -0.02 0.30 0.50 -0.75 4.34 4.37 1zv9A1 ALA 114 HB3 -0.01 0.02 -0.18 -0.04 1.41 1.20 1zv9A1 VAL 115 H -0.05 0.61 0.06 -0.55 8.24 8.31 1zv9A1 VAL 115 HA 0.01 0.29 0.96 -0.75 4.13 4.63 1zv9A1 VAL 115 HB -0.02 -0.02 -0.09 -0.04 2.12 1.95 1zv9A1 VAL 115 HG13 -0.02 -0.02 -0.26 -0.04 0.97 0.64 1zv9A1 VAL 115 HG23 0.01 -0.02 -0.26 -0.04 0.95 0.63 1zv9A1 VAL 116 H -0.03 0.77 0.27 -0.55 8.24 8.70 1zv9A1 VAL 116 HA -0.15 0.09 0.96 -0.75 4.13 4.28 1zv9A1 VAL 116 HB -0.18 -0.00 0.05 -0.04 2.12 1.94 1zv9A1 VAL 116 HG13 -1.03 0.01 -0.18 -0.04 0.97 -0.27 1zv9A1 VAL 116 HG23 -0.03 0.00 -0.19 -0.04 0.95 0.69 1zv9A1 LYS 117 H -0.22 0.23 0.14 -0.55 8.42 8.02 1zv9A1 LYS 117 HA -0.10 0.16 0.87 -0.75 4.32 4.49 1zv9A1 LYS 117 HB2 -0.10 0.25 0.09 -0.04 1.87 2.07 1zv9A1 LYS 117 HB3 -0.07 0.00 -0.10 -0.04 1.79 1.59 1zv9A1 LYS 117 HG2 -0.05 -0.02 -0.16 -0.04 1.46 1.19 1zv9A1 LYS 117 HG3 -0.05 -0.06 -0.12 -0.04 1.46 1.18 1zv9A1 LYS 117 HD2 -0.02 0.01 -0.12 -0.04 1.69 1.52 1zv9A1 LYS 117 HD3 -0.02 0.02 -0.12 -0.04 1.68 1.52 1zv9A1 LYS 117 HE2 -0.02 -0.03 -0.12 -0.04 2.99 2.78 1zv9A1 LYS 117 HE3 -0.01 0.01 -0.06 -0.04 2.99 2.89 1zv9A1 PHE 118 H 0.06 0.68 0.29 -0.55 8.34 8.82 1zv9A1 PHE 118 HA -0.17 0.27 0.92 -0.75 4.62 4.88 1zv9A1 PHE 118 HB2 -0.11 -0.00 0.05 -0.04 3.15 3.05 1zv9A1 PHE 118 HB3 -0.13 0.02 -0.20 -0.04 3.06 2.71 1zv9A1 PHE 118 HD2 -0.28 0.00 -0.34 -0.04 7.28 6.62 1zv9A1 PHE 118 HE2 -0.83 0.01 -0.19 -0.04 7.38 6.32 1zv9A1 PHE 118 HZ -0.30 0.03 -0.18 -0.04 7.32 6.82 1zv9A1 LYS 119 H 0.02 0.67 0.25 -0.55 8.42 8.81 1zv9A1 LYS 119 HA 0.02 0.00 0.73 -0.75 4.32 4.32 1zv9A1 LYS 119 HB2 0.02 0.00 0.11 -0.04 1.87 1.96 1zv9A1 LYS 119 HB3 0.02 0.00 -0.10 -0.04 1.79 1.67 1zv9A1 LYS 119 HG2 0.01 0.04 -0.06 -0.04 1.46 1.41 1zv9A1 LYS 119 HG3 -0.00 -0.05 -0.06 -0.04 1.46 1.30 1zv9A1 LYS 119 HD2 0.00 0.01 -0.07 -0.04 1.69 1.59 1zv9A1 LYS 119 HD3 0.01 -0.00 -0.08 -0.04 1.68 1.56 1zv9A1 LYS 119 HE2 0.01 0.00 -0.08 -0.04 2.99 2.88 1zv9A1 LYS 119 HE3 0.01 0.00 -0.05 -0.04 2.99 2.91 1zv9A1 VAL 120 H 0.02 0.70 0.22 -0.55 8.24 8.62 1zv9A1 VAL 120 HA 0.00 0.19 0.71 -0.75 4.13 4.28 1zv9A1 VAL 120 HB 0.00 -0.03 0.11 -0.04 2.12 2.16 1zv9A1 VAL 120 HG13 -0.01 -0.01 -0.36 -0.04 0.97 0.54 1zv9A1 VAL 120 HG23 -0.00 0.01 -0.18 -0.04 0.95 0.74 1zv9A1 LEU 121 H 0.01 0.85 0.31 -0.55 8.37 8.99 1zv9A1 LEU 121 HA 0.01 0.03 0.52 -0.75 4.35 4.16 1zv9A1 LEU 121 HB2 0.02 0.12 -0.14 -0.04 1.64 1.60 1zv9A1 LEU 121 HB3 0.02 -0.03 -0.06 -0.04 1.64 1.52 1zv9A1 LEU 121 HG 0.03 0.06 -0.38 -0.04 1.64 1.31 1zv9A1 LEU 121 HD13 0.04 -0.03 -0.43 -0.04 0.93 0.48 1zv9A1 LEU 121 HD23 0.02 -0.04 -0.25 -0.04 0.89 0.59 1zv9A1 LYS 122 H -0.00 0.32 0.19 -0.55 8.42 8.37 1zv9A1 LYS 122 HA -0.00 0.12 0.77 -0.75 4.32 4.45 1zv9A1 LYS 122 HB2 -0.01 -0.03 -0.02 -0.04 1.87 1.77 1zv9A1 LYS 122 HB3 -0.00 -0.01 -0.10 -0.04 1.79 1.64 1zv9A1 LYS 122 HG2 0.00 0.02 -0.04 -0.04 1.46 1.40 1zv9A1 LYS 122 HG3 0.00 0.12 -0.25 -0.04 1.46 1.29 1zv9A1 LYS 122 HD2 -0.00 -0.05 -0.19 -0.04 1.69 1.41 1zv9A1 LYS 122 HD3 -0.00 -0.04 -0.09 -0.04 1.68 1.51 1zv9A1 LYS 122 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 1zv9A1 LYS 122 HE3 0.00 0.15 -0.01 -0.04 2.99 3.10 1zv9A1 GLU 123 H -0.00 0.18 0.03 -0.55 8.60 8.26 1zv9A1 GLU 123 HA -0.01 0.18 0.68 -0.75 4.29 4.38 1zv9A1 GLU 123 HB2 -0.00 -0.14 0.10 -0.04 2.09 2.01 1zv9A1 GLU 123 HB3 -0.01 0.00 0.22 -0.04 1.99 2.16 1zv9A1 GLU 123 HG2 -0.01 0.01 -0.07 -0.04 2.34 2.22 1zv9A1 GLU 123 HG3 -0.01 0.24 0.11 -0.04 2.34 2.64 1zv9A1 GLU 124 H -0.02 0.46 0.04 -0.55 8.60 8.54 1zv9A1 GLU 124 HA -0.01 0.04 0.37 -0.75 4.29 3.94 1zv9A1 GLU 124 HB2 -0.01 0.00 0.04 -0.04 2.09 2.08 1zv9A1 GLU 124 HB3 -0.01 0.07 -0.10 -0.04 1.99 1.91 1zv9A1 GLU 124 HG2 -0.01 -0.10 -0.35 -0.04 2.34 1.84 1zv9A1 GLU 124 HG3 -0.02 0.14 -0.32 -0.04 2.34 2.10 1zv9A1 THR 125 H -0.02 0.06 0.10 -0.55 8.28 7.88 1zv9A1 THR 125 HA -0.02 0.27 0.48 -0.75 4.39 4.37 1zv9A1 THR 125 HB -0.02 -0.10 0.13 -0.04 4.32 4.29 1zv9A1 THR 125 HG23 -0.02 -0.03 -0.13 -0.04 1.22 1.00 1zv9A1 SER 126 H -0.04 0.45 0.33 -0.55 8.46 8.66 1zv9A1 SER 126 HA -0.04 0.08 0.71 -0.75 4.49 4.48 1zv9A1 SER 126 HB2 -0.04 0.13 -0.38 -0.04 3.95 3.62 1zv9A1 SER 126 HB3 -0.07 -0.06 -0.03 -0.04 3.93 3.74 1zv9A1 SER 127 H -0.05 0.17 0.21 -0.55 8.46 8.24 1zv9A1 SER 127 HA -0.06 0.30 1.13 -0.75 4.49 5.10 1zv9A1 SER 127 HB2 -0.04 0.06 0.03 -0.04 3.95 3.96 1zv9A1 SER 127 HB3 -0.04 -0.05 -0.08 -0.04 3.93 3.72 1zv9A1 ILE 128 H -0.08 0.67 0.36 -0.55 8.25 8.65 1zv9A1 ILE 128 HA -0.06 0.44 1.00 -0.75 4.18 4.80 1zv9A1 ILE 128 HB -0.11 -0.10 0.09 -0.04 1.89 1.73 1zv9A1 ILE 128 HG12 -0.31 0.04 -0.12 -0.04 1.49 1.07 1zv9A1 ILE 128 HG13 -0.19 -0.07 -0.43 -0.04 1.21 0.49 1zv9A1 ILE 128 HG23 -0.04 0.00 -0.14 -0.04 0.93 0.71 1zv9A1 ILE 128 HD13 -0.31 -0.03 -0.18 -0.04 0.88 0.33 1zv9A1 SER 129 H -0.07 0.77 0.32 -0.55 8.46 8.94 1zv9A1 SER 129 HA -0.20 -0.00 0.89 -0.75 4.49 4.42 1zv9A1 SER 129 HB2 -0.02 0.12 0.03 -0.04 3.95 4.04 1zv9A1 SER 129 HB3 -0.05 -0.09 -0.12 -0.04 3.93 3.64 1zv9A1 PHE 130 H -0.11 0.04 0.15 -0.55 8.34 7.87 1zv9A1 PHE 130 HA 0.03 0.36 0.90 -0.75 4.62 5.15 1zv9A1 PHE 130 HB2 0.02 0.04 0.17 -0.04 3.15 3.34 1zv9A1 PHE 130 HB3 0.01 0.01 0.12 -0.04 3.06 3.16 1zv9A1 PHE 130 HD2 0.03 0.07 -0.04 -0.04 7.28 7.30 1zv9A1 PHE 130 HE2 0.05 -0.05 -0.20 -0.04 7.38 7.15 1zv9A1 PHE 130 HZ 0.08 -0.06 -0.17 -0.04 7.32 7.13 1zv9A1 GLU 131 H 0.16 0.60 0.31 -0.55 8.60 9.12 1zv9A1 GLU 131 HA 0.06 0.07 0.76 -0.75 4.29 4.43 1zv9A1 GLU 131 HB2 0.05 -0.00 -0.08 -0.04 2.09 2.02 1zv9A1 GLU 131 HB3 0.03 -0.01 -0.03 -0.04 1.99 1.93 1zv9A1 GLU 131 HG2 0.04 0.12 -0.56 -0.04 2.34 1.90 1zv9A1 GLU 131 HG3 0.02 -0.02 -0.13 -0.04 2.34 2.17 1zv9A1 ASP 132 H 0.03 0.10 0.05 -0.55 8.40 8.03 1zv9A1 ASP 132 HA 0.02 -0.00 0.41 -0.75 4.63 4.30 1zv9A1 ASP 132 HB2 0.01 0.01 0.07 -0.04 2.71 2.76 1zv9A1 ASP 132 HB3 0.01 0.05 -0.02 -0.04 2.70 2.70 1zv9A1 THR 133 H 0.01 0.31 0.15 -0.55 8.28 8.20 1zv9A1 THR 133 HA 0.01 0.15 0.66 -0.75 4.39 4.45 1zv9A1 THR 133 HB 0.02 0.20 -0.12 -0.04 4.32 4.38 1zv9A1 THR 133 HG23 0.02 -0.01 -0.08 -0.04 1.22 1.10 1zv9A1 THR 134 H 0.01 0.21 0.09 -0.55 8.28 8.03 1zv9A1 THR 134 HA 0.01 0.12 0.35 -0.75 4.39 4.11 1zv9A1 THR 134 HB 0.01 0.04 0.04 -0.04 4.32 4.37 1zv9A1 THR 134 HG23 0.01 0.02 0.03 -0.04 1.22 1.23 1zv9A1 SER 135 H 0.01 0.04 -0.31 -0.55 8.46 7.66 1zv9A1 SER 135 HA 0.01 0.11 0.48 -0.75 4.49 4.34 1zv9A1 SER 135 HB2 0.02 0.03 0.06 -0.04 3.95 4.02 1zv9A1 SER 135 HB3 0.02 -0.02 0.03 -0.04 3.93 3.92 1zv9A1 VAL 136 H 0.01 0.40 -0.64 -0.55 8.24 7.46 1zv9A1 VAL 136 HA 0.02 0.15 0.60 -0.75 4.13 4.14 1zv9A1 VAL 136 HB 0.00 -0.03 0.04 -0.04 2.12 2.09 1zv9A1 VAL 136 HG13 -0.00 -0.02 -0.13 -0.04 0.97 0.78 1zv9A1 VAL 136 HG23 0.01 -0.01 -0.36 -0.04 0.95 0.55 1zv9A1 PRO 137 HA 0.00 0.08 0.26 -0.51 4.44 4.27 1zv9A1 PRO 137 HB2 0.00 0.02 -0.02 -0.04 2.28 2.25 1zv9A1 PRO 137 HB3 0.01 0.04 0.10 -0.04 2.02 2.13 1zv9A1 PRO 137 HG2 0.01 -0.01 0.03 -0.04 2.03 2.02 1zv9A1 PRO 137 HG3 0.01 0.06 0.04 -0.04 2.03 2.09 1zv9A1 PRO 137 HD2 0.02 0.10 0.01 -0.04 3.68 3.76 1zv9A1 PRO 137 HD3 0.01 0.30 -0.12 -0.04 3.65 3.81 1zv9A1 ASN 138 H 0.00 0.08 -0.26 -0.55 8.53 7.80 1zv9A1 ASN 138 HA -0.01 0.22 0.74 -0.75 4.76 4.96 1zv9A1 ASN 138 HB2 0.00 -0.03 0.02 -0.04 2.88 2.84 1zv9A1 ASN 138 HB3 -0.01 0.01 0.15 -0.04 2.79 2.90 1zv9A1 ASN 138 HD21 0.02 0.01 -0.03 -0.04 7.03 6.98 1zv9A1 ASN 138 HD22 0.02 -0.00 -0.02 -0.04 7.74 7.70 1zv9A1 ALA 139 H -0.01 0.28 -0.40 -0.55 8.40 7.71 1zv9A1 ALA 139 HA -0.04 0.19 0.37 -0.75 4.34 4.10 1zv9A1 ALA 139 HB3 -0.02 -0.06 -0.11 -0.04 1.41 1.18 1zv9A1 ILE 140 H -0.03 0.80 0.28 -0.55 8.25 8.75 1zv9A1 ILE 140 HA -0.05 0.12 0.82 -0.75 4.18 4.31 1zv9A1 ILE 140 HB -0.04 0.02 0.20 -0.04 1.89 2.03 1zv9A1 ILE 140 HG12 -0.09 0.02 -0.00 -0.04 1.49 1.38 1zv9A1 ILE 140 HG13 -0.05 0.06 -0.06 -0.04 1.21 1.12 1zv9A1 ILE 140 HG23 -0.23 -0.01 -0.04 -0.04 0.93 0.61 1zv9A1 ILE 140 HD13 -0.15 -0.00 -0.06 -0.04 0.88 0.63 1zv9A1 ASP 141 H -0.02 0.22 0.02 -0.55 8.40 8.08 1zv9A1 ASP 141 HA 0.02 0.00 0.26 -0.75 4.63 4.17 1zv9A1 ASP 141 HB2 0.03 0.09 -0.15 -0.04 2.71 2.64 1zv9A1 ASP 141 HB3 0.06 0.09 0.17 -0.04 2.70 2.98 1zv9A1 GLY 142 H 0.00 0.04 -0.51 -0.55 8.43 7.42 1zv9A1 GLY 142 HA2 0.01 0.03 -0.04 -0.51 4.01 3.51 1zv9A1 GLY 142 HA3 0.08 0.11 0.10 -0.51 4.01 3.79 1zv9A1 THR 143 H -0.05 0.22 -0.40 -0.55 8.28 7.51 1zv9A1 THR 143 HA -0.26 0.22 1.04 -0.75 4.39 4.63 1zv9A1 THR 143 HB -0.24 -0.05 -0.04 -0.04 4.32 3.95 1zv9A1 THR 143 HG23 -0.48 0.04 -0.20 -0.04 1.22 0.54 1zv9A1 VAL 144 H -0.17 0.66 0.30 -0.55 8.24 8.49 1zv9A1 VAL 144 HA -0.16 0.18 0.76 -0.75 4.13 4.15 1zv9A1 VAL 144 HB -0.15 -0.08 0.16 -0.04 2.12 2.01 1zv9A1 VAL 144 HG13 -0.61 0.01 -0.14 -0.04 0.97 0.19 1zv9A1 VAL 144 HG23 -0.07 0.02 -0.27 -0.04 0.95 0.59 1zv9A1 LEU 145 H -0.21 0.28 0.15 -0.55 8.37 8.04 1zv9A1 LEU 145 HA -0.09 0.25 1.10 -0.75 4.35 4.86 1zv9A1 LEU 145 HB2 -0.21 -0.01 0.07 -0.04 1.64 1.45 1zv9A1 LEU 145 HB3 0.06 0.04 0.07 -0.04 1.64 1.77 1zv9A1 LEU 145 HG -0.40 -0.02 -0.17 -0.04 1.64 1.01 1zv9A1 LEU 145 HD13 -0.95 0.01 -0.11 -0.04 0.93 -0.16 1zv9A1 LEU 145 HD23 -0.12 0.03 -0.19 -0.04 0.89 0.57 1zv9A1 PHE 146 H 0.01 0.63 0.34 -0.55 8.34 8.77 1zv9A1 PHE 146 HA -0.00 0.23 0.89 -0.75 4.62 4.98 1zv9A1 PHE 146 HB2 -0.15 -0.07 -0.09 -0.04 3.15 2.81 1zv9A1 PHE 146 HB3 -0.04 0.06 -0.18 -0.04 3.06 2.86 1zv9A1 PHE 146 HD2 -0.05 0.02 -0.58 -0.04 7.28 6.64 1zv9A1 PHE 146 HE2 -0.02 -0.01 -0.23 -0.04 7.38 7.08 1zv9A1 PHE 146 HZ -0.02 -0.00 -0.15 -0.04 7.32 7.11 1zv9A1 ASP 147 H 0.16 0.62 0.20 -0.55 8.40 8.83 1zv9A1 ASP 147 HA 0.04 0.32 0.78 -0.75 4.63 5.02 1zv9A1 ASP 147 HB2 -0.03 0.02 0.15 -0.04 2.71 2.81 1zv9A1 ASP 147 HB3 0.04 0.09 0.00 -0.04 2.70 2.79 1zv9A1 TRP 148 H 0.15 0.29 0.21 -0.55 7.97 8.08 1zv9A1 TRP 148 HA 0.10 0.14 0.45 -0.75 4.62 4.56 1zv9A1 TRP 148 HB2 0.10 -0.04 0.14 -0.04 3.23 3.39 1zv9A1 TRP 148 HB3 0.16 0.13 -0.02 -0.04 3.23 3.46 1zv9A1 TRP 148 HD1 0.01 -0.09 -0.12 -0.04 7.22 6.97 1zv9A1 TRP 148 HE1 -0.03 0.01 -0.02 -0.04 10.20 10.12 1zv9A1 TRP 148 HE3 -0.87 -0.00 -0.16 -0.04 7.59 6.52 1zv9A1 TRP 148 HZ2 -0.07 0.02 0.02 -0.04 7.44 7.37 1zv9A1 TRP 148 HZ3 -0.40 -0.09 -0.03 -0.04 7.13 6.57 1zv9A1 TRP 148 HH2 -0.12 0.05 0.02 -0.04 7.19 7.10 1zv9A1 ASN 149 H 0.33 0.02 -0.37 -0.55 8.53 7.97 1zv9A1 ASN 149 HA 0.08 0.20 0.78 -0.75 4.76 5.06 1zv9A1 ASN 149 HB2 0.16 -0.06 -0.01 -0.04 2.88 2.93 1zv9A1 ASN 149 HB3 0.09 0.05 0.10 -0.04 2.79 2.98 1zv9A1 ASN 149 HD21 0.21 0.04 -0.04 -0.04 7.03 7.19 1zv9A1 ASN 149 HD22 0.17 -0.00 -0.03 -0.04 7.74 7.84 1zv9A1 GLY 150 H 0.16 0.46 -0.21 -0.55 8.43 8.29 1zv9A1 GLY 150 HA2 0.01 0.08 0.23 -0.51 4.01 3.82 1zv9A1 GLY 150 HA3 0.02 0.12 0.53 -0.51 4.01 4.17 1zv9A1 ASP 151 H 0.15 -0.08 -0.22 -0.55 8.40 7.70 1zv9A1 ASP 151 HA 0.15 0.16 0.63 -0.75 4.63 4.81 1zv9A1 ASP 151 HB2 0.11 -0.11 0.00 -0.04 2.71 2.67 1zv9A1 ASP 151 HB3 0.09 0.13 -0.02 -0.04 2.70 2.85 1zv9A1 ARG 152 H 0.14 0.13 0.15 -0.55 8.46 8.33 1zv9A1 ARG 152 HA -0.19 0.18 0.61 -0.75 4.34 4.18 1zv9A1 ARG 152 HB2 0.02 -0.01 0.09 -0.04 1.90 1.96 1zv9A1 ARG 152 HB3 0.01 -0.04 0.07 -0.04 1.80 1.79 1zv9A1 ARG 152 HG2 -0.07 0.04 -0.30 -0.04 1.67 1.29 1zv9A1 ARG 152 HG3 -0.30 0.01 0.03 -0.04 1.67 1.37 1zv9A1 ARG 152 HD2 -0.08 0.18 -0.01 -0.04 3.22 3.27 1zv9A1 ARG 152 HD3 -0.07 -0.06 -0.04 -0.04 3.22 3.01 1zv9A1 ILE 153 H -0.11 0.76 0.34 -0.55 8.25 8.69 1zv9A1 ILE 153 HA 0.04 0.04 0.68 -0.75 4.18 4.18 1zv9A1 ILE 153 HB 0.02 -0.01 0.10 -0.04 1.89 1.96 1zv9A1 ILE 153 HG12 0.03 0.00 -0.11 -0.04 1.49 1.37 1zv9A1 ILE 153 HG13 0.02 -0.02 -0.19 -0.04 1.21 0.98 1zv9A1 ILE 153 HG23 0.13 -0.02 -0.05 -0.04 0.93 0.95 1zv9A1 ILE 153 HD13 0.03 -0.01 -0.31 -0.04 0.88 0.55 1zv9A1 GLN 154 H 0.03 0.14 0.16 -0.55 8.47 8.25 1zv9A1 GLN 154 HA -0.00 0.19 0.42 -0.75 4.36 4.21 1zv9A1 GLN 154 HB2 0.00 -0.02 0.04 -0.04 2.15 2.13 1zv9A1 GLN 154 HB3 -0.01 0.01 0.11 -0.04 2.02 2.09 1zv9A1 GLN 154 HG2 -0.01 0.01 -0.13 -0.04 2.40 2.24 1zv9A1 GLN 154 HG3 0.01 0.15 -0.07 -0.04 2.39 2.44 1zv9A1 GLN 154 HE21 0.02 -0.03 0.01 -0.04 6.97 6.92 1zv9A1 GLN 154 HE22 0.02 0.05 0.01 -0.04 7.69 7.74 1zv9A1 SER 155 H 0.04 0.21 -0.07 -0.55 8.46 8.10 1zv9A1 SER 155 HA -0.13 0.13 0.53 -0.75 4.49 4.27 1zv9A1 SER 155 HB2 -0.05 -0.03 0.12 -0.04 3.95 3.95 1zv9A1 SER 155 HB3 -0.04 0.14 -0.19 -0.04 3.93 3.81 1zv9A1 GLY 156 H -0.10 0.20 0.12 -0.55 8.43 8.10 1zv9A1 GLY 156 HA2 -0.02 0.02 0.29 -0.51 4.01 3.80 1zv9A1 GLY 156 HA3 0.02 0.11 0.30 -0.51 4.01 3.93 1zv9A1 TYR 157 H -0.20 0.11 -0.24 -0.55 8.29 7.41 1zv9A1 TYR 157 HA -0.02 0.32 0.82 -0.75 4.56 4.92 1zv9A1 TYR 157 HB2 -0.04 0.01 -0.30 -0.04 3.06 2.69 1zv9A1 TYR 157 HB3 -0.04 0.01 -0.21 -0.04 2.98 2.69 1zv9A1 TYR 157 HD2 -0.04 0.07 -0.35 -0.04 7.15 6.79 1zv9A1 TYR 157 HE2 -0.07 0.11 -0.13 -0.04 6.85 6.72 1zv9A1 SER 158 H 0.09 0.67 0.35 -0.55 8.46 9.02 1zv9A1 SER 158 HA -0.04 0.06 0.66 -0.75 4.49 4.43 1zv9A1 SER 158 HB2 0.02 -0.00 0.13 -0.04 3.95 4.05 1zv9A1 SER 158 HB3 0.05 -0.00 0.15 -0.04 3.93 4.08 1zv9A1 VAL 159 H -0.00 0.18 0.13 -0.55 8.24 8.00 1zv9A1 VAL 159 HA 0.15 0.18 0.91 -0.75 4.13 4.62 1zv9A1 VAL 159 HB 0.05 -0.05 0.18 -0.04 2.12 2.26 1zv9A1 VAL 159 HG13 0.21 0.03 -0.07 -0.04 0.97 1.11 1zv9A1 VAL 159 HG23 0.08 0.04 -0.10 -0.04 0.95 0.92 1zv9A1 ILE 160 H 0.10 0.74 0.27 -0.55 8.25 8.81 1zv9A1 ILE 160 HA 0.04 0.06 0.55 -0.75 4.18 4.07 1zv9A1 ILE 160 HB 0.05 -0.03 0.18 -0.04 1.89 2.05 1zv9A1 ILE 160 HG12 0.03 -0.01 -0.07 -0.04 1.49 1.40 1zv9A1 ILE 160 HG13 0.05 0.01 -0.13 -0.04 1.21 1.10 1zv9A1 ILE 160 HG23 0.02 0.00 -0.11 -0.04 0.93 0.80 1zv9A1 ILE 160 HD13 0.03 -0.00 -0.09 -0.04 0.88 0.77 1zv9A1 GLN 161 H 0.02 0.33 0.33 -0.55 8.47 8.61 1zv9A1 GLN 161 HA -0.00 0.08 0.48 -0.75 4.36 4.17 1zv9A1 GLN 161 HB2 -0.01 -0.01 0.21 -0.04 2.15 2.30 1zv9A1 GLN 161 HB3 -0.01 0.02 0.18 -0.04 2.02 2.17 1zv9A1 GLN 161 HG2 0.08 -0.01 -0.58 -0.04 2.40 1.85 1zv9A1 GLN 161 HG3 0.04 0.02 -0.05 -0.04 2.39 2.37 1zv9A1 GLN 161 HE21 0.14 0.42 0.16 -0.04 6.97 7.65 1zv9A1 GLN 161 HE22 0.07 -0.07 0.04 -0.04 7.69 7.70 1zv9A1 PRO 162 HA -0.03 0.06 0.50 -0.51 4.44 4.45 1zv9A1 PRO 162 HB2 -0.03 0.11 -0.09 -0.04 2.28 2.23 1zv9A1 PRO 162 HB3 -0.02 0.02 0.06 -0.04 2.02 2.03 1zv9A1 PRO 162 HG2 -0.02 -0.01 -0.04 -0.04 2.03 1.93 1zv9A1 PRO 162 HG3 -0.02 0.02 0.04 -0.04 2.03 2.03 1zv9A1 PRO 162 HD2 -0.01 0.07 0.30 -0.04 3.68 4.00 1zv9A1 PRO 162 HD3 -0.01 0.11 0.30 -0.04 3.65 4.01 1zv9A1 ALA 163 H -0.07 0.43 0.36 -0.55 8.40 8.58 1zv9A1 ALA 163 HA -0.03 0.12 0.91 -0.75 4.34 4.58 1zv9A1 ALA 163 HB3 -0.06 0.06 0.16 -0.04 1.41 1.52 1zv9A1 VAL 164 H -0.03 0.24 0.18 -0.55 8.24 8.08 1zv9A1 VAL 164 HA -0.05 0.29 1.06 -0.75 4.13 4.68 1zv9A1 VAL 164 HB -0.02 -0.06 0.03 -0.04 2.12 2.03 1zv9A1 VAL 164 HG13 -0.03 0.00 -0.20 -0.04 0.97 0.70 1zv9A1 VAL 164 HG23 -0.03 0.02 -0.32 -0.04 0.95 0.58 1zv9A1 ILE 165 H -0.06 0.64 0.32 -0.55 8.25 8.60 1zv9A1 ILE 165 HA -0.03 0.19 0.83 -0.75 4.18 4.41 1zv9A1 ILE 165 HB -0.06 -0.02 -0.05 -0.04 1.89 1.72 1zv9A1 ILE 165 HG12 -0.03 -0.01 -0.18 -0.04 1.49 1.23 1zv9A1 ILE 165 HG13 -0.03 -0.04 -0.18 -0.04 1.21 0.92 1zv9A1 ILE 165 HG23 -0.07 0.06 -0.02 -0.04 0.93 0.87 1zv9A1 ILE 165 HD13 -0.02 0.02 -0.38 -0.04 0.88 0.46 1zv9A1 ASN 166 H -0.02 0.57 0.26 -0.55 8.53 8.79 1zv9A1 ASN 166 HA -0.01 -0.05 0.37 -0.75 4.76 4.32 1zv9A1 ASN 166 HB2 -0.02 0.30 -0.47 -0.04 2.88 2.65 1zv9A1 ASN 166 HB3 -0.02 -0.05 -0.02 -0.04 2.79 2.66 1zv9A1 ASN 166 HD21 -0.01 0.46 0.13 -0.04 7.03 7.56 1zv9A1 ASN 166 HD22 -0.02 0.11 -0.05 -0.04 7.74 7.74 1zv9A1 LEU 167 H -0.02 0.19 -0.19 -0.55 8.37 7.80 1zv9A1 LEU 167 HA -0.02 0.09 0.30 -0.75 4.35 3.97 1zv9A1 LEU 167 HB2 -0.02 0.04 -0.01 -0.04 1.64 1.61 1zv9A1 LEU 167 HB3 -0.01 -0.05 0.02 -0.04 1.64 1.56 1zv9A1 LEU 167 HG -0.01 -0.00 -0.18 -0.04 1.64 1.40 1zv9A1 LEU 167 HD13 -0.01 0.01 0.02 -0.04 0.93 0.90 1zv9A1 LEU 167 HD23 -0.01 0.00 -0.03 -0.04 0.89 0.81 1zv9A1 ASP 168 H -0.01 -0.01 -0.33 -0.55 8.40 7.50 1zv9A1 ASP 168 HA -0.01 0.11 0.20 -0.75 4.63 4.18 1zv9A1 ASP 168 HB2 -0.01 0.02 0.07 -0.04 2.71 2.76 1zv9A1 ASP 168 HB3 -0.01 -0.01 0.02 -0.04 2.70 2.66 1zv9A1 ILE 170 HA -0.01 -0.07 0.31 -0.75 4.18 3.65 1zv9A1 ILE 170 HB -0.01 0.16 0.17 -0.04 1.89 2.17 1zv9A1 ILE 170 HG12 -0.01 -0.03 -0.11 -0.04 1.49 1.30 1zv9A1 ILE 170 HG13 -0.01 -0.04 0.07 -0.04 1.21 1.19 1zv9A1 ILE 170 HG23 -0.01 -0.01 -0.09 -0.04 0.93 0.79 1zv9A1 ILE 170 HD13 -0.01 0.00 -0.02 -0.04 0.88 0.82 1zv9A1 LYS 171 H -0.01 0.25 0.29 -0.55 8.42 8.40 1zv9A1 LYS 171 HA -0.01 0.00 0.41 -0.75 4.32 3.97 1zv9A1 LYS 171 HB2 -0.01 -0.04 0.20 -0.04 1.87 1.98 1zv9A1 LYS 171 HB3 -0.01 0.00 -0.02 -0.04 1.79 1.72 1zv9A1 LYS 171 HG2 -0.01 0.04 0.14 -0.04 1.46 1.60 1zv9A1 LYS 171 HG3 -0.01 -0.01 0.08 -0.04 1.46 1.48 1zv9A1 LYS 171 HD2 -0.00 -0.00 0.04 -0.04 1.69 1.68 1zv9A1 LYS 171 HD3 -0.01 0.01 0.05 -0.04 1.68 1.69 1zv9A1 LYS 171 HE2 -0.00 0.01 0.03 -0.04 2.99 2.98 1zv9A1 LYS 171 HE3 -0.00 -0.02 0.02 -0.04 2.99 2.95 1zv9A1 ALA 172 H -0.01 0.15 -0.10 -0.55 8.40 7.90 1zv9A1 ALA 172 HA -0.01 0.07 0.38 -0.75 4.34 4.03 1zv9A1 ALA 172 HB3 -0.01 0.00 0.04 -0.04 1.41 1.40 1zv9A1 SER 173 H -0.01 0.14 -0.52 -0.55 8.46 7.52 1zv9A1 SER 173 HA -0.01 0.11 0.53 -0.75 4.49 4.37 1zv9A1 SER 173 HB2 -0.01 0.13 0.10 -0.04 3.95 4.12 1zv9A1 SER 173 HB3 -0.01 -0.01 0.06 -0.04 3.93 3.93