============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 33 0.900 52.905 0.176 -23.599 -99.200 -91.000 TRP 35 1.040 48.497 -2.720 -20.361 -99.200 -91.000 TRP6 35 1.020 50.603 -1.740 -19.918 -99.200 -91.000 HIS 48 0.900 42.264 16.252 -13.920 -99.200 -91.000 PHE 133 1.000 57.970 1.754 5.537 -99.200 -91.000 PHE 134 1.000 55.997 2.467 0.912 -99.200 -91.000 HIS 143 0.900 58.608 -4.738 -9.274 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2iz5B1 ARG 4 HA 0.02 -0.14 0.20 -0.75 4.34 3.67 2iz5B1 ARG 4 HB2 0.01 -0.06 0.03 -0.04 1.90 1.84 2iz5B1 ARG 4 HB3 0.01 0.03 -0.06 -0.04 1.80 1.74 2iz5B1 ARG 4 HG2 0.01 0.16 -0.09 -0.04 1.67 1.71 2iz5B1 ARG 4 HG3 0.01 -0.08 0.03 -0.04 1.67 1.59 2iz5B1 ARG 4 HD2 0.00 0.02 -0.03 -0.04 3.22 3.17 2iz5B1 ARG 4 HD3 0.00 0.01 -0.03 -0.04 3.22 3.17 2iz5B1 LYS 5 H 0.04 -0.00 0.07 -0.55 8.42 7.97 2iz5B1 LYS 5 HA 0.09 0.15 0.58 -0.75 4.32 4.39 2iz5B1 LYS 5 HB2 0.05 -0.13 0.15 -0.04 1.87 1.90 2iz5B1 LYS 5 HB3 0.09 0.06 0.01 -0.04 1.79 1.91 2iz5B1 LYS 5 HG2 0.08 0.11 0.12 -0.04 1.46 1.73 2iz5B1 LYS 5 HG3 0.05 -0.11 0.06 -0.04 1.46 1.42 2iz5B1 LYS 5 HD2 0.06 -0.13 -0.02 -0.04 1.69 1.55 2iz5B1 LYS 5 HD3 0.10 0.22 -0.01 -0.04 1.68 1.94 2iz5B1 LYS 5 HE2 0.03 0.02 0.03 -0.04 2.99 3.03 2iz5B1 LYS 5 HE3 0.03 -0.10 -0.00 -0.04 2.99 2.87 2iz5B1 PRO 6 HA -0.04 0.07 0.60 -0.51 4.44 4.56 2iz5B1 PRO 6 HB2 -0.36 -0.06 -0.02 -0.04 2.28 1.80 2iz5B1 PRO 6 HB3 -0.22 0.03 0.10 -0.04 2.02 1.90 2iz5B1 PRO 6 HG2 0.12 0.02 0.06 -0.04 2.03 2.18 2iz5B1 PRO 6 HG3 0.01 0.10 0.10 -0.04 2.03 2.20 2iz5B1 PRO 6 HD2 0.32 0.13 0.23 -0.04 3.68 4.32 2iz5B1 PRO 6 HD3 0.12 0.25 0.30 -0.04 3.65 4.29 2iz5B1 ILE 7 H -0.07 0.19 0.26 -0.55 8.25 8.08 2iz5B1 ILE 7 HA 0.02 0.20 0.90 -0.75 4.18 4.54 2iz5B1 ILE 7 HB -0.03 0.07 0.15 -0.04 1.89 2.04 2iz5B1 ILE 7 HG12 0.02 -0.04 -0.11 -0.04 1.49 1.32 2iz5B1 ILE 7 HG13 -0.00 0.13 -0.11 -0.04 1.21 1.18 2iz5B1 ILE 7 HG23 -0.01 -0.03 -0.28 -0.04 0.93 0.57 2iz5B1 ILE 7 HD13 -0.00 0.02 -0.04 -0.04 0.88 0.81 2iz5B1 ILE 8 H 0.00 0.74 0.27 -0.55 8.25 8.72 2iz5B1 ILE 8 HA -0.14 0.22 0.99 -0.75 4.18 4.50 2iz5B1 ILE 8 HB 0.03 -0.03 0.09 -0.04 1.89 1.94 2iz5B1 ILE 8 HG12 -0.12 0.07 -0.17 -0.04 1.49 1.23 2iz5B1 ILE 8 HG13 -0.20 -0.04 -0.10 -0.04 1.21 0.83 2iz5B1 ILE 8 HG23 -0.09 -0.01 -0.20 -0.04 0.93 0.59 2iz5B1 ILE 8 HD13 -0.71 0.02 -0.20 -0.04 0.88 -0.05 2iz5B1 GLY 9 H -0.07 0.60 0.37 -0.55 8.43 8.79 2iz5B1 GLY 9 HA2 -0.02 0.31 0.83 -0.51 4.01 4.63 2iz5B1 GLY 9 HA3 -0.04 -0.01 0.33 -0.51 4.01 3.78 2iz5B1 VAL 10 H -0.00 0.64 0.47 -0.55 8.24 8.80 2iz5B1 VAL 10 HA -0.01 0.41 1.04 -0.75 4.13 4.82 2iz5B1 VAL 10 HB 0.01 -0.01 0.13 -0.04 2.12 2.21 2iz5B1 VAL 10 HG13 0.01 -0.04 -0.07 -0.04 0.97 0.83 2iz5B1 VAL 10 HG23 0.01 0.02 -0.20 -0.04 0.95 0.74 2iz5B1 MET 11 H -0.01 0.65 0.42 -0.55 8.47 8.98 2iz5B1 MET 11 HA -0.00 0.04 0.82 -0.75 4.52 4.62 2iz5B1 MET 11 HB2 -0.03 0.00 0.03 -0.04 2.15 2.11 2iz5B1 MET 11 HB3 -0.02 -0.06 0.02 -0.04 2.03 1.93 2iz5B1 MET 11 HG2 -0.02 -0.04 -0.12 -0.04 2.63 2.40 2iz5B1 MET 11 HG3 -0.02 0.05 -0.55 -0.04 2.56 2.00 2iz5B1 MET 11 HE3 -0.07 0.01 -0.33 -0.04 2.10 1.67 2iz5B1 GLY 12 H 0.01 0.24 0.24 -0.55 8.43 8.38 2iz5B1 GLY 12 HA2 0.01 0.44 0.63 -0.51 4.01 4.58 2iz5B1 GLY 12 HA3 0.01 -0.06 0.42 -0.51 4.01 3.87 2iz5B1 PRO 13 HA 0.02 -0.01 0.31 -0.51 4.44 4.24 2iz5B1 PRO 13 HB2 0.02 -0.06 -0.20 -0.04 2.28 2.00 2iz5B1 PRO 13 HB3 0.02 0.05 -0.20 -0.04 2.02 1.86 2iz5B1 PRO 13 HG2 0.02 -0.11 -0.08 -0.04 2.03 1.81 2iz5B1 PRO 13 HG3 0.02 0.11 0.11 -0.04 2.03 2.23 2iz5B1 PRO 13 HD2 0.02 0.11 0.24 -0.04 3.68 4.01 2iz5B1 PRO 13 HD3 0.02 0.26 0.09 -0.04 3.65 3.98 2iz5B1 GLY 14 H 0.02 0.07 -0.10 -0.55 8.43 7.88 2iz5B1 GLY 14 HA2 0.01 0.10 0.37 -0.51 4.01 3.98 2iz5B1 GLY 14 HA3 0.01 0.16 0.57 -0.51 4.01 4.25 2iz5B1 LYS 15 H 0.01 0.03 0.10 -0.55 8.42 8.01 2iz5B1 LYS 15 HA 0.02 0.16 0.76 -0.75 4.32 4.50 2iz5B1 LYS 15 HB2 0.01 -0.00 -0.04 -0.04 1.87 1.79 2iz5B1 LYS 15 HB3 0.01 0.09 -0.02 -0.04 1.79 1.83 2iz5B1 LYS 15 HG2 0.02 -0.02 0.21 -0.04 1.46 1.63 2iz5B1 LYS 15 HG3 0.01 -0.01 -0.24 -0.04 1.46 1.18 2iz5B1 LYS 15 HD2 0.00 0.06 -0.00 -0.04 1.69 1.71 2iz5B1 LYS 15 HD3 0.01 0.04 0.02 -0.04 1.68 1.71 2iz5B1 LYS 15 HE2 0.03 -0.02 0.10 -0.04 2.99 3.06 2iz5B1 LYS 15 HE3 0.01 -0.21 0.17 -0.04 2.99 2.92 2iz5B1 ALA 16 H 0.01 0.16 0.18 -0.55 8.40 8.19 2iz5B1 ALA 16 HA 0.01 0.33 0.93 -0.75 4.34 4.86 2iz5B1 ALA 16 HB3 0.01 0.03 0.16 -0.04 1.41 1.57 2iz5B1 ASP 17 H 0.01 -0.17 -0.09 -0.55 8.40 7.61 2iz5B1 ASP 17 HA 0.01 0.26 0.65 -0.75 4.63 4.80 2iz5B1 ASP 17 HB2 0.01 -0.01 0.07 -0.04 2.71 2.74 2iz5B1 ASP 17 HB3 0.02 -0.07 -0.12 -0.04 2.70 2.49 2iz5B1 THR 18 H 0.01 0.25 -0.59 -0.55 8.28 7.40 2iz5B1 THR 18 HA 0.02 0.12 0.76 -0.75 4.39 4.54 2iz5B1 THR 18 HB 0.02 0.25 0.00 -0.04 4.32 4.55 2iz5B1 THR 18 HG23 0.02 0.02 -0.09 -0.04 1.22 1.14 2iz5B1 ALA 19 H 0.02 0.12 0.14 -0.55 8.40 8.13 2iz5B1 ALA 19 HA 0.01 0.29 0.84 -0.75 4.34 4.73 2iz5B1 ALA 19 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 2iz5B1 GLU 20 H 0.01 0.26 0.15 -0.55 8.60 8.48 2iz5B1 GLU 20 HA 0.01 0.08 0.43 -0.75 4.29 4.06 2iz5B1 GLU 20 HB2 0.01 0.03 0.16 -0.04 2.09 2.24 2iz5B1 GLU 20 HB3 0.01 0.06 0.05 -0.04 1.99 2.07 2iz5B1 GLU 20 HG2 0.01 0.01 0.04 -0.04 2.34 2.36 2iz5B1 GLU 20 HG3 0.01 0.01 0.05 -0.04 2.34 2.37 2iz5B1 ASN 21 H 0.01 0.13 -0.10 -0.55 8.53 8.02 2iz5B1 ASN 21 HA 0.01 0.13 0.49 -0.75 4.76 4.63 2iz5B1 ASN 21 HB2 0.01 0.06 0.10 -0.04 2.88 3.01 2iz5B1 ASN 21 HB3 0.01 0.04 0.11 -0.04 2.79 2.90 2iz5B1 ASN 21 HD21 0.01 0.05 -0.08 -0.04 7.03 6.97 2iz5B1 ASN 21 HD22 0.01 -0.02 -0.31 -0.04 7.74 7.38 2iz5B1 GLN 22 H 0.01 0.13 -0.33 -0.55 8.47 7.73 2iz5B1 GLN 22 HA 0.01 0.10 0.54 -0.75 4.36 4.26 2iz5B1 GLN 22 HB2 0.02 0.13 0.18 -0.04 2.15 2.44 2iz5B1 GLN 22 HB3 0.02 0.03 0.01 -0.04 2.02 2.03 2iz5B1 GLN 22 HG2 0.02 0.06 0.03 -0.04 2.40 2.47 2iz5B1 GLN 22 HG3 0.02 -0.10 0.03 -0.04 2.39 2.29 2iz5B1 GLN 22 HE21 0.02 -0.03 0.18 -0.04 6.97 7.11 2iz5B1 GLN 22 HE22 0.02 0.15 0.19 -0.04 7.69 8.01 2iz5B1 LEU 23 H 0.01 0.34 -0.04 -0.55 8.37 8.14 2iz5B1 LEU 23 HA 0.01 0.02 0.47 -0.75 4.35 4.09 2iz5B1 LEU 23 HB2 0.01 0.12 0.09 -0.04 1.64 1.82 2iz5B1 LEU 23 HB3 0.01 0.02 -0.02 -0.04 1.64 1.61 2iz5B1 LEU 23 HG 0.02 0.08 -0.05 -0.04 1.64 1.65 2iz5B1 LEU 23 HD13 0.02 0.01 -0.06 -0.04 0.93 0.86 2iz5B1 LEU 23 HD23 0.03 -0.00 -0.13 -0.04 0.89 0.75 2iz5B1 VAL 24 H 0.01 0.41 -0.28 -0.55 8.24 7.82 2iz5B1 VAL 24 HA 0.00 0.08 0.48 -0.75 4.13 3.94 2iz5B1 VAL 24 HB 0.01 0.03 0.18 -0.04 2.12 2.30 2iz5B1 VAL 24 HG13 0.00 0.00 -0.06 -0.04 0.97 0.88 2iz5B1 VAL 24 HG23 0.01 0.07 0.04 -0.04 0.95 1.03 2iz5B1 MET 25 H 0.01 0.60 0.04 -0.55 8.47 8.57 2iz5B1 MET 25 HA 0.01 -0.00 0.54 -0.75 4.52 4.31 2iz5B1 MET 25 HB2 0.01 0.07 0.17 -0.04 2.15 2.36 2iz5B1 MET 25 HB3 0.01 -0.02 -0.08 -0.04 2.03 1.89 2iz5B1 MET 25 HG2 0.01 -0.09 0.10 -0.04 2.63 2.60 2iz5B1 MET 25 HG3 0.01 0.13 0.12 -0.04 2.56 2.78 2iz5B1 MET 25 HE3 0.01 0.00 -0.11 -0.04 2.10 1.96 2iz5B1 ALA 26 H 0.01 0.41 -0.40 -0.55 8.40 7.87 2iz5B1 ALA 26 HA 0.01 0.07 0.60 -0.75 4.34 4.26 2iz5B1 ALA 26 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 2iz5B1 ASN 27 H -0.00 0.51 -0.13 -0.55 8.53 8.36 2iz5B1 ASN 27 HA -0.02 0.26 0.31 -0.75 4.76 4.56 2iz5B1 ASN 27 HB2 -0.02 0.01 0.15 -0.04 2.88 2.97 2iz5B1 ASN 27 HB3 -0.01 0.07 0.15 -0.04 2.79 2.96 2iz5B1 ASN 27 HD21 -0.05 0.02 -0.18 -0.04 7.03 6.78 2iz5B1 ASN 27 HD22 -0.06 0.10 0.11 -0.04 7.74 7.85 2iz5B1 GLU 28 H 0.00 0.48 -0.14 -0.55 8.60 8.40 2iz5B1 GLU 28 HA 0.00 0.08 0.38 -0.75 4.29 4.00 2iz5B1 GLU 28 HB2 0.01 -0.02 0.13 -0.04 2.09 2.17 2iz5B1 GLU 28 HB3 0.01 -0.03 0.01 -0.04 1.99 1.94 2iz5B1 GLU 28 HG2 0.00 0.05 0.03 -0.04 2.34 2.39 2iz5B1 GLU 28 HG3 0.00 -0.06 -0.01 -0.04 2.34 2.23 2iz5B1 LEU 29 H 0.01 0.48 -0.21 -0.55 8.37 8.11 2iz5B1 LEU 29 HA 0.03 -0.03 0.46 -0.75 4.35 4.07 2iz5B1 LEU 29 HB2 0.02 0.03 0.17 -0.04 1.64 1.82 2iz5B1 LEU 29 HB3 0.02 0.11 0.16 -0.04 1.64 1.89 2iz5B1 LEU 29 HG 0.05 0.02 -0.16 -0.04 1.64 1.50 2iz5B1 LEU 29 HD13 0.03 -0.02 -0.02 -0.04 0.93 0.88 2iz5B1 LEU 29 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.78 2iz5B1 GLY 30 H 0.02 0.46 -0.30 -0.55 8.43 8.06 2iz5B1 GLY 30 HA2 0.04 0.02 0.35 -0.51 4.01 3.91 2iz5B1 GLY 30 HA3 0.02 0.19 0.42 -0.51 4.01 4.13 2iz5B1 LYS 31 H 0.01 0.46 -0.13 -0.55 8.42 8.21 2iz5B1 LYS 31 HA -0.00 0.20 0.42 -0.75 4.32 4.19 2iz5B1 LYS 31 HB2 0.01 0.06 0.06 -0.04 1.87 1.95 2iz5B1 LYS 31 HB3 -0.01 -0.02 -0.02 -0.04 1.79 1.71 2iz5B1 LYS 31 HG2 -0.01 0.13 0.07 -0.04 1.46 1.61 2iz5B1 LYS 31 HG3 -0.00 0.25 0.04 -0.04 1.46 1.71 2iz5B1 LYS 31 HD2 -0.00 -0.05 -0.02 -0.04 1.69 1.58 2iz5B1 LYS 31 HD3 -0.01 0.03 -0.03 -0.04 1.68 1.63 2iz5B1 LYS 31 HE2 -0.01 0.02 -0.07 -0.04 2.99 2.89 2iz5B1 LYS 31 HE3 -0.01 -0.09 -0.20 -0.04 2.99 2.65 2iz5B1 GLN 32 H 0.03 0.40 -0.26 -0.55 8.47 8.09 2iz5B1 GLN 32 HA 0.06 0.04 0.40 -0.75 4.36 4.10 2iz5B1 GLN 32 HB2 0.04 0.06 0.14 -0.04 2.15 2.35 2iz5B1 GLN 32 HB3 0.06 -0.04 0.04 -0.04 2.02 2.05 2iz5B1 GLN 32 HG2 0.03 -0.03 -0.04 -0.04 2.40 2.32 2iz5B1 GLN 32 HG3 0.03 0.25 -0.01 -0.04 2.39 2.61 2iz5B1 GLN 32 HE21 0.03 -0.10 -0.08 -0.04 6.97 6.78 2iz5B1 GLN 32 HE22 0.02 0.00 -0.08 -0.04 7.69 7.59 2iz5B1 ILE 33 H 0.08 0.59 -0.04 -0.55 8.25 8.34 2iz5B1 ILE 33 HA 0.27 -0.00 0.32 -0.75 4.18 4.02 2iz5B1 ILE 33 HB 0.12 0.07 0.10 -0.04 1.89 2.14 2iz5B1 ILE 33 HG12 0.34 -0.04 -0.05 -0.04 1.49 1.70 2iz5B1 ILE 33 HG13 0.16 0.15 0.06 -0.04 1.21 1.54 2iz5B1 ILE 33 HG23 0.33 0.02 -0.26 -0.04 0.93 0.98 2iz5B1 ILE 33 HD13 0.08 -0.03 -0.14 -0.04 0.88 0.75 2iz5B1 ALA 34 H 0.03 0.34 -0.30 -0.55 8.40 7.92 2iz5B1 ALA 34 HA 0.00 0.16 0.42 -0.75 4.34 4.16 2iz5B1 ALA 34 HB3 -0.00 -0.00 0.10 -0.04 1.41 1.46 2iz5B1 THR 35 H -0.06 0.53 -0.10 -0.55 8.28 8.11 2iz5B1 THR 35 HA -0.13 0.07 0.48 -0.75 4.39 4.05 2iz5B1 THR 35 HB -0.09 0.04 0.14 -0.04 4.32 4.37 2iz5B1 THR 35 HG23 -0.21 -0.04 -0.01 -0.04 1.22 0.92 2iz5B1 HIS 36 H -0.27 0.43 -0.30 -0.55 8.41 7.73 2iz5B1 HIS 36 HA -0.50 0.07 0.63 -0.75 4.63 4.07 2iz5B1 HIS 36 HB2 -2.20 0.07 0.09 -0.04 3.26 1.18 2iz5B1 HIS 36 HB3 -1.84 -0.03 0.13 -0.04 3.20 1.42 2iz5B1 HIS 36 HD2 -0.19 0.00 -0.01 -0.04 6.97 6.73 2iz5B1 HIS 36 HE1 -0.10 -0.11 -0.04 -0.04 7.75 7.45 2iz5B1 GLY 37 H -0.28 0.47 -0.52 -0.55 8.43 7.56 2iz5B1 GLY 37 HA2 -0.10 0.03 0.29 -0.51 4.01 3.72 2iz5B1 GLY 37 HA3 -0.14 0.02 0.54 -0.51 4.01 3.92 2iz5B1 TRP 38 H -0.16 0.37 -0.06 -0.55 7.97 7.57 2iz5B1 TRP 38 HA 0.01 0.24 0.86 -0.75 4.62 4.98 2iz5B1 TRP 38 HB2 0.01 -0.07 -0.10 -0.04 3.23 3.03 2iz5B1 TRP 38 HB3 -0.00 0.01 -0.08 -0.04 3.23 3.12 2iz5B1 TRP 38 HD1 0.02 0.11 -0.24 -0.04 7.22 7.06 2iz5B1 TRP 38 HE1 0.03 0.00 -0.05 -0.04 10.20 10.14 2iz5B1 TRP 38 HE3 -0.03 -0.08 -0.03 -0.04 7.59 7.41 2iz5B1 TRP 38 HZ2 -0.01 -0.01 -0.05 -0.04 7.44 7.33 2iz5B1 TRP 38 HZ3 -0.20 -0.12 -0.09 -0.04 7.13 6.68 2iz5B1 TRP 38 HH2 -0.30 -0.03 -0.03 -0.04 7.19 6.78 2iz5B1 ILE 39 H 0.20 0.76 0.30 -0.55 8.25 8.95 2iz5B1 ILE 39 HA 0.09 0.14 0.71 -0.75 4.18 4.36 2iz5B1 ILE 39 HB 0.06 0.04 0.11 -0.04 1.89 2.06 2iz5B1 ILE 39 HG12 0.05 -0.06 -0.05 -0.04 1.49 1.39 2iz5B1 ILE 39 HG13 0.08 0.05 -0.07 -0.04 1.21 1.23 2iz5B1 ILE 39 HG23 0.04 -0.03 -0.25 -0.04 0.93 0.65 2iz5B1 ILE 39 HD13 0.04 0.01 -0.07 -0.04 0.88 0.82 2iz5B1 LEU 40 H 0.07 0.54 0.31 -0.55 8.37 8.75 2iz5B1 LEU 40 HA 0.06 0.23 0.94 -0.75 4.35 4.82 2iz5B1 LEU 40 HB2 0.07 0.04 0.08 -0.04 1.64 1.79 2iz5B1 LEU 40 HB3 0.04 -0.04 0.15 -0.04 1.64 1.75 2iz5B1 LEU 40 HG 0.03 -0.08 -0.27 -0.04 1.64 1.28 2iz5B1 LEU 40 HD13 0.04 0.00 -0.01 -0.04 0.93 0.92 2iz5B1 LEU 40 HD23 0.03 -0.05 -0.15 -0.04 0.89 0.68 2iz5B1 LEU 41 H 0.02 0.68 0.23 -0.55 8.37 8.76 2iz5B1 LEU 41 HA 0.02 0.30 0.98 -0.75 4.35 4.90 2iz5B1 LEU 41 HB2 0.01 0.03 -0.09 -0.04 1.64 1.55 2iz5B1 LEU 41 HB3 -0.00 0.02 -0.11 -0.04 1.64 1.51 2iz5B1 LEU 41 HG -0.01 -0.05 -0.15 -0.04 1.64 1.39 2iz5B1 LEU 41 HD13 0.00 -0.03 -0.24 -0.04 0.93 0.63 2iz5B1 LEU 41 HD23 -0.00 0.00 -0.18 -0.04 0.89 0.67 2iz5B1 THR 42 H 0.01 0.71 0.39 -0.55 8.28 8.84 2iz5B1 THR 42 HA 0.01 0.19 0.76 -0.75 4.39 4.59 2iz5B1 THR 42 HB 0.02 0.04 -0.21 -0.04 4.32 4.13 2iz5B1 THR 42 HG23 0.03 0.13 -0.07 -0.04 1.22 1.27 2iz5B1 GLY 43 H 0.02 0.08 0.27 -0.55 8.43 8.26 2iz5B1 GLY 43 HA2 0.01 0.18 0.85 -0.51 4.01 4.54 2iz5B1 GLY 43 HA3 0.01 -0.05 0.45 -0.51 4.01 3.92 2iz5B1 GLY 44 H 0.01 0.60 0.27 -0.55 8.43 8.77 2iz5B1 GLY 44 HA2 0.03 0.17 0.46 -0.51 4.01 4.17 2iz5B1 GLY 44 HA3 0.02 0.05 0.14 -0.51 4.01 3.71 2iz5B1 ARG 45 H 0.01 0.01 -0.11 -0.55 8.46 7.81 2iz5B1 ARG 45 HA -0.02 0.28 0.72 -0.75 4.34 4.57 2iz5B1 ARG 45 HB2 -0.01 -0.07 0.06 -0.04 1.90 1.84 2iz5B1 ARG 45 HB3 -0.04 -0.00 -0.12 -0.04 1.80 1.61 2iz5B1 ARG 45 HG2 -0.02 0.02 0.01 -0.04 1.67 1.65 2iz5B1 ARG 45 HG3 -0.01 0.13 0.03 -0.04 1.67 1.78 2iz5B1 ARG 45 HD2 -0.00 0.00 0.07 -0.04 3.22 3.25 2iz5B1 ARG 45 HD3 -0.00 -0.07 0.04 -0.04 3.22 3.15 2iz5B1 SER 46 H -0.10 0.29 0.02 -0.55 8.46 8.12 2iz5B1 SER 46 HA -0.65 0.07 0.61 -0.75 4.49 3.76 2iz5B1 SER 46 HB2 -0.38 0.01 0.17 -0.04 3.95 3.71 2iz5B1 SER 46 HB3 -0.32 -0.09 0.11 -0.04 3.93 3.59 2iz5B1 LEU 47 H -0.08 0.51 -0.18 -0.55 8.37 8.07 2iz5B1 LEU 47 HA -0.05 0.10 0.69 -0.75 4.35 4.34 2iz5B1 LEU 47 HB2 -0.05 -0.02 -0.44 -0.04 1.64 1.09 2iz5B1 LEU 47 HB3 -0.01 -0.06 -0.07 -0.04 1.64 1.47 2iz5B1 LEU 47 HG -0.01 -0.03 -0.04 -0.04 1.64 1.52 2iz5B1 LEU 47 HD13 -0.03 0.03 0.02 -0.04 0.93 0.90 2iz5B1 LEU 47 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.75 2iz5B1 GLY 48 H 0.07 0.18 0.11 -0.55 8.43 8.24 2iz5B1 GLY 48 HA2 0.05 0.08 0.35 -0.51 4.01 3.99 2iz5B1 GLY 48 HA3 0.04 0.16 0.23 -0.51 4.01 3.94 2iz5B1 VAL 49 H 0.04 0.15 0.16 -0.55 8.24 8.03 2iz5B1 VAL 49 HA 0.03 0.08 0.33 -0.75 4.13 3.81 2iz5B1 VAL 49 HB 0.02 -0.09 0.10 -0.04 2.12 2.11 2iz5B1 VAL 49 HG13 0.02 0.07 -0.09 -0.04 0.97 0.93 2iz5B1 VAL 49 HG23 0.02 0.03 -0.06 -0.04 0.95 0.90 2iz5B1 MET 50 H 0.04 0.11 -0.05 -0.55 8.47 8.03 2iz5B1 MET 50 HA 0.03 0.11 0.38 -0.75 4.52 4.28 2iz5B1 MET 50 HB2 0.04 0.07 0.14 -0.04 2.15 2.36 2iz5B1 MET 50 HB3 0.04 0.12 0.18 -0.04 2.03 2.33 2iz5B1 MET 50 HG2 0.02 0.11 -0.05 -0.04 2.63 2.66 2iz5B1 MET 50 HG3 0.02 -0.14 0.07 -0.04 2.56 2.48 2iz5B1 MET 50 HE3 0.01 0.09 0.27 -0.04 2.10 2.43 2iz5B1 HIS 51 H 0.14 0.14 -0.37 -0.55 8.41 7.78 2iz5B1 HIS 51 HA 0.01 0.13 0.35 -0.75 4.63 4.36 2iz5B1 HIS 51 HB2 0.01 -0.02 0.02 -0.04 3.26 3.23 2iz5B1 HIS 51 HB3 0.01 0.12 -0.24 -0.04 3.20 3.04 2iz5B1 HIS 51 HD2 0.01 -0.03 -0.19 -0.04 6.97 6.72 2iz5B1 HIS 51 HE1 0.01 -0.06 -0.02 -0.04 7.75 7.63 2iz5B1 GLU 52 H -0.00 0.45 -0.03 -0.55 8.60 8.47 2iz5B1 GLU 52 HA -0.19 0.02 0.54 -0.75 4.29 3.91 2iz5B1 GLU 52 HB2 -0.01 0.04 0.07 -0.04 2.09 2.15 2iz5B1 GLU 52 HB3 -0.03 0.01 -0.05 -0.04 1.99 1.88 2iz5B1 GLU 52 HG2 0.01 0.06 0.04 -0.04 2.34 2.41 2iz5B1 GLU 52 HG3 0.00 -0.09 0.03 -0.04 2.34 2.25 2iz5B1 ALA 53 H -0.01 0.55 -0.25 -0.55 8.40 8.14 2iz5B1 ALA 53 HA -0.00 0.18 0.52 -0.75 4.34 4.28 2iz5B1 ALA 53 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2iz5B1 MET 54 H -0.02 0.33 -0.40 -0.55 8.47 7.83 2iz5B1 MET 54 HA 0.00 0.07 0.31 -0.75 4.52 4.15 2iz5B1 MET 54 HB2 0.03 0.11 0.15 -0.04 2.15 2.40 2iz5B1 MET 54 HB3 0.02 -0.08 -0.16 -0.04 2.03 1.77 2iz5B1 MET 54 HG2 0.02 0.01 -0.12 -0.04 2.63 2.51 2iz5B1 MET 54 HG3 0.03 0.01 -0.12 -0.04 2.56 2.44 2iz5B1 MET 54 HE3 0.08 -0.03 -0.14 -0.04 2.10 1.96 2iz5B1 LYS 55 H -0.15 0.51 0.05 -0.55 8.42 8.27 2iz5B1 LYS 55 HA -0.06 0.05 0.52 -0.75 4.32 4.08 2iz5B1 LYS 55 HB2 -0.18 -0.00 0.13 -0.04 1.87 1.78 2iz5B1 LYS 55 HB3 -0.10 -0.00 -0.04 -0.04 1.79 1.61 2iz5B1 LYS 55 HG2 -0.13 -0.01 -0.01 -0.04 1.46 1.28 2iz5B1 LYS 55 HG3 -0.56 0.05 -0.05 -0.04 1.46 0.87 2iz5B1 LYS 55 HD2 -0.09 0.04 -0.04 -0.04 1.69 1.57 2iz5B1 LYS 55 HD3 -0.10 -0.04 -0.05 -0.04 1.68 1.45 2iz5B1 LYS 55 HE2 -0.45 -0.07 -0.13 -0.04 2.99 2.29 2iz5B1 LYS 55 HE3 -0.17 0.03 -0.03 -0.04 2.99 2.78 2iz5B1 GLY 56 H -0.05 0.49 -0.36 -0.55 8.43 7.97 2iz5B1 GLY 56 HA2 -0.02 -0.01 0.43 -0.51 4.01 3.89 2iz5B1 GLY 56 HA3 -0.02 0.16 0.33 -0.51 4.01 3.97 2iz5B1 ALA 57 H -0.00 0.60 -0.11 -0.55 8.40 8.34 2iz5B1 ALA 57 HA 0.01 0.12 0.47 -0.75 4.34 4.19 2iz5B1 ALA 57 HB3 0.02 0.01 0.04 -0.04 1.41 1.44 2iz5B1 LYS 58 H -0.00 0.59 -0.08 -0.55 8.42 8.36 2iz5B1 LYS 58 HA 0.00 0.15 0.46 -0.75 4.32 4.18 2iz5B1 LYS 58 HB2 -0.01 0.04 0.16 -0.04 1.87 2.02 2iz5B1 LYS 58 HB3 -0.00 -0.05 -0.09 -0.04 1.79 1.60 2iz5B1 LYS 58 HG2 0.01 0.06 0.05 -0.04 1.46 1.53 2iz5B1 LYS 58 HG3 0.01 -0.13 0.03 -0.04 1.46 1.33 2iz5B1 LYS 58 HD2 0.01 -0.03 -0.04 -0.04 1.69 1.59 2iz5B1 LYS 58 HD3 0.00 -0.03 0.04 -0.04 1.68 1.65 2iz5B1 LYS 58 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.89 2iz5B1 LYS 58 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.87 2iz5B1 GLU 59 H -0.01 0.37 -0.48 -0.55 8.60 7.93 2iz5B1 GLU 59 HA -0.01 -0.02 0.37 -0.75 4.29 3.88 2iz5B1 GLU 59 HB2 -0.02 0.18 0.18 -0.04 2.09 2.39 2iz5B1 GLU 59 HB3 -0.02 0.07 0.13 -0.04 1.99 2.13 2iz5B1 GLU 59 HG2 -0.01 0.00 0.05 -0.04 2.34 2.34 2iz5B1 GLU 59 HG3 -0.01 -0.06 0.04 -0.04 2.34 2.27 2iz5B1 ALA 60 H -0.01 0.45 -0.12 -0.55 8.40 8.17 2iz5B1 ALA 60 HA -0.02 0.05 0.65 -0.75 4.34 4.27 2iz5B1 ALA 60 HB3 -0.03 -0.03 0.16 -0.04 1.41 1.47 2iz5B1 GLY 61 H -0.01 0.41 -0.55 -0.55 8.43 7.73 2iz5B1 GLY 61 HA2 -0.01 0.01 0.30 -0.51 4.01 3.80 2iz5B1 GLY 61 HA3 -0.02 0.00 0.44 -0.51 4.01 3.93 2iz5B1 GLY 62 H -0.01 0.46 -0.14 -0.55 8.43 8.20 2iz5B1 GLY 62 HA2 0.00 0.15 0.53 -0.51 4.01 4.18 2iz5B1 GLY 62 HA3 0.01 -0.03 0.22 -0.51 4.01 3.70 2iz5B1 THR 63 H 0.03 0.22 0.14 -0.55 8.28 8.12 2iz5B1 THR 63 HA 0.02 0.13 0.77 -0.75 4.39 4.55 2iz5B1 THR 63 HB 0.04 0.00 0.08 -0.04 4.32 4.40 2iz5B1 THR 63 HG23 0.02 -0.01 -0.11 -0.04 1.22 1.09 2iz5B1 THR 64 H 0.02 0.18 0.24 -0.55 8.28 8.17 2iz5B1 THR 64 HA 0.03 0.36 1.09 -0.75 4.39 5.11 2iz5B1 THR 64 HB 0.02 -0.03 -0.06 -0.04 4.32 4.22 2iz5B1 THR 64 HG23 0.02 0.04 -0.24 -0.04 1.22 1.00 2iz5B1 ILE 65 H 0.02 0.85 0.39 -0.55 8.25 8.97 2iz5B1 ILE 65 HA 0.02 0.24 0.94 -0.75 4.18 4.62 2iz5B1 ILE 65 HB 0.01 -0.06 0.17 -0.04 1.89 1.98 2iz5B1 ILE 65 HG12 0.02 0.04 -0.10 -0.04 1.49 1.40 2iz5B1 ILE 65 HG13 0.02 -0.04 -0.39 -0.04 1.21 0.76 2iz5B1 ILE 65 HG23 0.01 -0.00 -0.14 -0.04 0.93 0.76 2iz5B1 ILE 65 HD13 0.01 0.00 -0.13 -0.04 0.88 0.72 2iz5B1 GLY 66 H 0.02 0.49 0.18 -0.55 8.43 8.57 2iz5B1 GLY 66 HA2 0.02 0.25 0.70 -0.51 4.01 4.47 2iz5B1 GLY 66 HA3 0.02 -0.04 0.20 -0.51 4.01 3.68 2iz5B1 VAL 67 H 0.01 0.52 0.35 -0.55 8.24 8.58 2iz5B1 VAL 67 HA 0.01 0.28 0.92 -0.75 4.13 4.58 2iz5B1 VAL 67 HB 0.01 -0.09 0.17 -0.04 2.12 2.16 2iz5B1 VAL 67 HG13 0.00 -0.02 0.03 -0.04 0.97 0.94 2iz5B1 VAL 67 HG23 0.00 0.03 -0.08 -0.04 0.95 0.86 2iz5B1 LEU 68 H 0.00 0.83 0.41 -0.55 8.37 9.06 2iz5B1 LEU 68 HA 0.00 0.08 0.78 -0.75 4.35 4.45 2iz5B1 LEU 68 HB2 0.00 0.00 -0.10 -0.04 1.64 1.51 2iz5B1 LEU 68 HB3 0.00 0.23 0.01 -0.04 1.64 1.84 2iz5B1 LEU 68 HG 0.00 -0.12 -0.17 -0.04 1.64 1.32 2iz5B1 LEU 68 HD13 0.01 0.01 -0.37 -0.04 0.93 0.54 2iz5B1 LEU 68 HD23 0.00 0.04 -0.20 -0.04 0.89 0.70 2iz5B1 PRO 69 HA 0.00 -0.16 0.91 -0.51 4.44 4.68 2iz5B1 PRO 69 HB2 0.00 0.01 0.03 -0.04 2.28 2.28 2iz5B1 PRO 69 HB3 0.00 0.34 0.34 -0.04 2.02 2.66 2iz5B1 PRO 69 HG2 0.00 0.06 0.11 -0.04 2.03 2.15 2iz5B1 PRO 69 HG3 0.00 -0.01 0.13 -0.04 2.03 2.11 2iz5B1 PRO 69 HD2 0.00 0.11 0.28 -0.04 3.68 4.02 2iz5B1 PRO 69 HD3 0.00 0.09 0.12 -0.04 3.65 3.82 2iz5B1 GLY 70 H 0.00 -0.26 0.16 -0.55 8.43 7.79 2iz5B1 GLY 70 HA2 0.00 0.03 0.18 -0.51 4.01 3.72 2iz5B1 GLY 70 HA3 0.00 0.16 -0.27 -0.51 4.01 3.40 2iz5B1 PRO 71 HA -0.00 0.01 -0.03 -0.51 4.44 3.91 2iz5B1 PRO 71 HB2 -0.00 0.15 -1923.11 -0.04 2.28 -1920.72 2iz5B1 PRO 71 HB3 -0.00 -0.02 -0.29 -0.04 2.02 1.67 2iz5B1 PRO 71 HG2 -0.00 0.29 -0.13 -0.04 2.03 2.15 2iz5B1 PRO 71 HG3 -0.00 -0.06 -0.21 -0.04 2.03 1.72 2iz5B1 PRO 71 HD2 -0.00 0.40 0.13 -0.04 3.68 4.17 2iz5B1 PRO 71 HD3 -0.00 0.01 0.01 -0.04 3.65 3.62 2iz5B1 SER 74 HA -0.00 -0.00 0.27 -0.75 4.49 4.00 2iz5B1 SER 74 HB2 -0.00 -0.00 0.07 -0.04 3.95 3.97 2iz5B1 SER 74 HB3 -0.00 -0.06 0.10 -0.04 3.93 3.92 2iz5B1 GLU 75 H -0.01 0.08 0.04 -0.55 8.60 8.16 2iz5B1 GLU 75 HA -0.01 0.15 0.78 -0.75 4.29 4.46 2iz5B1 GLU 75 HB2 -0.01 -0.06 0.16 -0.04 2.09 2.13 2iz5B1 GLU 75 HB3 -0.02 -0.03 0.03 -0.04 1.99 1.92 2iz5B1 GLU 75 HG2 -0.01 0.05 0.01 -0.04 2.34 2.35 2iz5B1 GLU 75 HG3 -0.01 0.02 -0.08 -0.04 2.34 2.23 2iz5B1 ILE 76 H -0.00 0.28 0.14 -0.55 8.25 8.12 2iz5B1 ILE 76 HA 0.00 0.08 0.46 -0.75 4.18 3.96 2iz5B1 ILE 76 HB 0.01 0.08 0.01 -0.04 1.89 1.95 2iz5B1 ILE 76 HG12 0.01 -0.02 -0.05 -0.04 1.49 1.38 2iz5B1 ILE 76 HG13 0.00 -0.02 -0.19 -0.04 1.21 0.96 2iz5B1 ILE 76 HG23 0.01 -0.01 -0.02 -0.04 0.93 0.87 2iz5B1 ILE 76 HD13 0.00 -0.01 0.07 -0.04 0.88 0.91 2iz5B1 SER 77 H 0.01 0.56 0.17 -0.55 8.46 8.66 2iz5B1 SER 77 HA -0.02 -0.01 0.48 -0.75 4.49 4.19 2iz5B1 SER 77 HB2 0.05 0.00 -0.36 -0.04 3.95 3.60 2iz5B1 SER 77 HB3 0.09 0.08 -0.12 -0.04 3.93 3.93 2iz5B1 ASP 78 H 0.08 0.07 0.11 -0.55 8.40 8.12 2iz5B1 ASP 78 HA 0.03 0.25 0.62 -0.75 4.63 4.78 2iz5B1 ASP 78 HB2 0.06 -0.06 0.05 -0.04 2.71 2.72 2iz5B1 ASP 78 HB3 0.03 0.06 0.08 -0.04 2.70 2.83 2iz5B1 ALA 79 H 0.10 -0.07 -0.28 -0.55 8.40 7.61 2iz5B1 ALA 79 HA 0.03 0.21 0.45 -0.75 4.34 4.28 2iz5B1 ALA 79 HB3 0.02 0.02 -0.20 -0.04 1.41 1.21 2iz5B1 VAL 80 H 0.04 0.24 -0.77 -0.55 8.24 7.20 2iz5B1 VAL 80 HA 0.03 0.03 0.40 -0.75 4.13 3.83 2iz5B1 VAL 80 HB 0.02 0.15 -0.07 -0.04 2.12 2.19 2iz5B1 VAL 80 HG13 0.02 -0.03 -0.45 -0.04 0.97 0.47 2iz5B1 VAL 80 HG23 0.04 -0.04 -0.14 -0.04 0.95 0.77 2iz5B1 ASP 81 H 0.02 0.14 0.09 -0.55 8.40 8.11 2iz5B1 ASP 81 HA 0.01 0.12 0.70 -0.75 4.63 4.71 2iz5B1 ASP 81 HB2 0.02 0.19 0.34 -0.04 2.71 3.21 2iz5B1 ASP 81 HB3 0.01 -0.01 0.04 -0.04 2.70 2.70 2iz5B1 ILE 82 H 0.02 0.43 0.19 -0.55 8.25 8.34 2iz5B1 ILE 82 HA 0.01 0.24 0.85 -0.75 4.18 4.52 2iz5B1 ILE 82 HB 0.01 0.01 0.21 -0.04 1.89 2.09 2iz5B1 ILE 82 HG12 0.01 -0.01 -0.05 -0.04 1.49 1.40 2iz5B1 ILE 82 HG13 0.01 0.07 -0.09 -0.04 1.21 1.17 2iz5B1 ILE 82 HG23 0.01 -0.01 -0.13 -0.04 0.93 0.75 2iz5B1 ILE 82 HD13 0.01 -0.05 -0.17 -0.04 0.88 0.63 2iz5B1 PRO 83 HA 0.01 0.18 0.92 -0.51 4.44 5.04 2iz5B1 PRO 83 HB2 0.01 -0.02 -0.05 -0.04 2.28 2.18 2iz5B1 PRO 83 HB3 0.01 -0.01 -0.01 -0.04 2.02 1.96 2iz5B1 PRO 83 HG2 0.01 0.03 0.02 -0.04 2.03 2.04 2iz5B1 PRO 83 HG3 0.01 0.09 -0.12 -0.04 2.03 1.97 2iz5B1 PRO 83 HD2 0.01 0.06 0.20 -0.04 3.68 3.90 2iz5B1 PRO 83 HD3 0.01 0.41 0.01 -0.04 3.65 4.04 2iz5B1 ILE 84 H 0.01 0.76 0.31 -0.55 8.25 8.78 2iz5B1 ILE 84 HA 0.01 0.18 0.90 -0.75 4.18 4.51 2iz5B1 ILE 84 HB 0.01 -0.09 0.13 -0.04 1.89 1.90 2iz5B1 ILE 84 HG12 0.01 0.05 -0.23 -0.04 1.49 1.28 2iz5B1 ILE 84 HG13 0.01 -0.02 -0.10 -0.04 1.21 1.06 2iz5B1 ILE 84 HG23 0.00 -0.01 -0.14 -0.04 0.93 0.74 2iz5B1 ILE 84 HD13 0.01 0.05 -0.14 -0.04 0.88 0.75 2iz5B1 VAL 85 H 0.00 0.28 0.09 -0.55 8.24 8.06 2iz5B1 VAL 85 HA 0.00 0.07 0.61 -0.75 4.13 4.06 2iz5B1 VAL 85 HB 0.00 0.04 0.04 -0.04 2.12 2.16 2iz5B1 VAL 85 HG13 0.00 -0.02 -0.31 -0.04 0.97 0.60 2iz5B1 VAL 85 HG23 0.00 0.03 -0.25 -0.04 0.95 0.70 2iz5B1 THR 86 H 0.00 0.18 0.24 -0.55 8.28 8.16 2iz5B1 THR 86 HA 0.00 0.19 0.29 -0.75 4.39 4.11 2iz5B1 THR 86 HB 0.00 0.31 0.23 -0.04 4.32 4.83 2iz5B1 THR 86 HG23 0.00 -0.06 0.04 -0.04 1.22 1.16 2iz5B1 GLY 87 H 0.00 -0.28 0.25 -0.55 8.43 7.85 2iz5B1 GLY 87 HA2 0.00 -0.05 0.40 -0.51 4.01 3.86 2iz5B1 GLY 87 HA3 0.00 0.23 0.68 -0.51 4.01 4.40 2iz5B1 LEU 88 H 0.00 0.06 0.08 -0.55 8.37 7.97 2iz5B1 LEU 88 HA 0.00 0.23 0.88 -0.75 4.35 4.70 2iz5B1 LEU 88 HB2 0.00 0.02 -0.02 -0.04 1.64 1.60 2iz5B1 LEU 88 HB3 0.00 -0.04 -0.06 -0.04 1.64 1.50 2iz5B1 LEU 88 HG 0.00 0.01 -0.44 -0.04 1.64 1.17 2iz5B1 LEU 88 HD13 0.00 -0.01 -0.19 -0.04 0.93 0.69 2iz5B1 LEU 88 HD23 0.00 0.04 -0.15 -0.04 0.89 0.74 2iz5B1 GLY 89 H 0.00 0.25 0.09 -0.55 8.43 8.23 2iz5B1 GLY 89 HA2 0.00 0.16 0.98 -0.51 4.01 4.64 2iz5B1 GLY 89 HA3 0.00 0.08 0.28 -0.51 4.01 3.86 2iz5B1 SER 90 H 0.00 0.21 0.08 -0.55 8.46 8.21 2iz5B1 SER 90 HA 0.01 -0.01 0.31 -0.75 4.49 4.04 2iz5B1 ALA 91 H 0.00 -0.06 -0.60 -0.55 8.40 7.20 2iz5B1 ALA 91 HA 0.01 0.19 0.76 -0.75 4.34 4.55 2iz5B1 ALA 91 HB3 0.00 0.01 -0.05 -0.04 1.41 1.33 2iz5B1 ARG 92 H 0.01 0.21 0.03 -0.55 8.46 8.15 2iz5B1 ARG 92 HA 0.01 0.11 0.52 -0.75 4.34 4.22 2iz5B1 ARG 92 HB2 0.01 0.02 -0.06 -0.04 1.90 1.83 2iz5B1 ARG 92 HB3 0.01 0.22 -0.39 -0.04 1.80 1.59 2iz5B1 ARG 92 HG2 0.01 -0.04 -0.26 -0.04 1.67 1.33 2iz5B1 ARG 92 HG3 0.01 0.03 -0.06 -0.04 1.67 1.62 2iz5B1 ARG 92 HD2 0.02 -0.04 -0.07 -0.04 3.22 3.08 2iz5B1 ARG 92 HD3 0.01 0.05 -0.14 -0.04 3.22 3.10 2iz5B1 ASP 93 H 0.00 0.16 0.00 -0.55 8.40 8.02 2iz5B1 ASP 93 HA 0.00 -0.01 0.28 -0.75 4.63 4.15 2iz5B1 ASP 93 HB2 0.00 0.21 0.31 -0.04 2.71 3.19 2iz5B1 ASP 93 HB3 0.00 0.01 0.17 -0.04 2.70 2.84 2iz5B1 ASN 94 H 0.00 0.32 -0.31 -0.55 8.53 7.99 2iz5B1 ASN 94 HA -0.00 0.13 0.39 -0.75 4.76 4.52 2iz5B1 ASN 94 HB2 0.00 0.07 -0.04 -0.04 2.88 2.87 2iz5B1 ASN 94 HB3 -0.00 0.06 -0.01 -0.04 2.79 2.79 2iz5B1 ASN 94 HD21 -0.00 0.12 -0.05 -0.04 7.03 7.05 2iz5B1 ASN 94 HD22 -0.00 0.00 -0.03 -0.04 7.74 7.67 2iz5B1 ILE 95 H -0.00 -0.03 -0.17 -0.55 8.25 7.50 2iz5B1 ILE 95 HA -0.01 0.21 0.51 -0.75 4.18 4.13 2iz5B1 ILE 95 HB -0.00 -0.10 0.06 -0.04 1.89 1.81 2iz5B1 ILE 95 HG12 -0.00 0.12 -0.02 -0.04 1.49 1.54 2iz5B1 ILE 95 HG13 -0.00 -0.13 -0.02 -0.04 1.21 1.02 2iz5B1 ILE 95 HG23 -0.00 0.04 -0.17 -0.04 0.93 0.76 2iz5B1 ILE 95 HD13 0.00 0.02 -0.03 -0.04 0.88 0.83 2iz5B1 ASN 96 H -0.01 0.03 -0.20 -0.55 8.53 7.81 2iz5B1 ASN 96 HA -0.01 0.11 0.22 -0.75 4.76 4.32 2iz5B1 ASN 96 HB2 -0.01 -0.06 -0.01 -0.04 2.88 2.75 2iz5B1 ASN 96 HB3 -0.02 0.00 -0.06 -0.04 2.79 2.68 2iz5B1 ASN 96 HD21 -0.01 0.18 -0.05 -0.04 7.03 7.12 2iz5B1 ASN 96 HD22 -0.01 -0.12 -0.07 -0.04 7.74 7.50 2iz5B1 ALA 97 H -0.02 -0.03 -0.42 -0.55 8.40 7.38 2iz5B1 ALA 97 HA -0.03 0.07 0.07 -0.75 4.34 3.69 2iz5B1 ALA 97 HB3 -0.02 0.01 -0.11 -0.04 1.41 1.25 2iz5B1 LEU 98 H -0.02 0.24 -0.35 -0.55 8.37 7.70 2iz5B1 LEU 98 HA -0.02 0.19 0.58 -0.75 4.35 4.34 2iz5B1 LEU 98 HB2 -0.01 0.00 0.10 -0.04 1.64 1.69 2iz5B1 LEU 98 HB3 -0.01 -0.02 0.01 -0.04 1.64 1.58 2iz5B1 LEU 98 HG -0.01 -0.05 -0.00 -0.04 1.64 1.54 2iz5B1 LEU 98 HD13 -0.01 -0.04 -0.04 -0.04 0.93 0.80 2iz5B1 LEU 98 HD23 -0.01 0.02 -0.02 -0.04 0.89 0.84 2iz5B1 SER 99 H -0.02 0.51 -0.09 -0.55 8.46 8.32 2iz5B1 SER 99 HA -0.02 0.11 0.57 -0.75 4.49 4.40 2iz5B1 SER 99 HB2 -0.01 -0.02 -0.06 -0.04 3.95 3.81 2iz5B1 SER 99 HB3 -0.01 -0.06 -0.00 -0.04 3.93 3.82 2iz5B1 SER 100 H -0.03 0.36 -0.16 -0.55 8.46 8.08 2iz5B1 SER 100 HA -0.05 0.02 0.49 -0.75 4.49 4.19 2iz5B1 SER 100 HB2 -0.05 0.04 -0.12 -0.04 3.95 3.78 2iz5B1 SER 100 HB3 -0.07 0.03 0.03 -0.04 3.93 3.88 2iz5B1 ASN 101 H -0.10 0.57 0.41 -0.55 8.53 8.86 2iz5B1 ASN 101 HA -0.08 0.15 0.65 -0.75 4.76 4.73 2iz5B1 ASN 101 HB2 -0.19 -0.04 0.19 -0.04 2.88 2.79 2iz5B1 ASN 101 HB3 -0.14 0.03 0.06 -0.04 2.79 2.70 2iz5B1 ASN 101 HD21 -0.05 0.00 0.03 -0.04 7.03 6.97 2iz5B1 ASN 101 HD22 -0.08 0.05 0.06 -0.04 7.74 7.73 2iz5B1 VAL 102 H -0.16 0.22 0.22 -0.55 8.24 7.97 2iz5B1 VAL 102 HA -0.12 0.29 0.74 -0.75 4.13 4.29 2iz5B1 VAL 102 HB -0.26 -0.11 0.00 -0.04 2.12 1.71 2iz5B1 VAL 102 HG13 -0.18 -0.00 -0.08 -0.04 0.97 0.66 2iz5B1 VAL 102 HG23 -0.22 0.02 -0.19 -0.04 0.95 0.52 2iz5B1 LEU 103 H -0.09 0.66 0.26 -0.55 8.37 8.65 2iz5B1 LEU 103 HA -0.07 0.17 0.99 -0.75 4.35 4.68 2iz5B1 LEU 103 HB2 -0.07 0.07 0.02 -0.04 1.64 1.62 2iz5B1 LEU 103 HB3 -0.06 -0.11 -0.13 -0.04 1.64 1.30 2iz5B1 LEU 103 HG -0.06 0.04 -0.31 -0.04 1.64 1.26 2iz5B1 LEU 103 HD13 -0.05 0.08 -0.21 -0.04 0.93 0.70 2iz5B1 LEU 103 HD23 -0.04 -0.03 -0.36 -0.04 0.89 0.41 2iz5B1 VAL 104 H -0.05 0.90 0.35 -0.55 8.24 8.89 2iz5B1 VAL 104 HA -0.04 0.24 1.08 -0.75 4.13 4.65 2iz5B1 VAL 104 HB -0.02 -0.04 0.11 -0.04 2.12 2.12 2iz5B1 VAL 104 HG13 -0.01 -0.02 -0.16 -0.04 0.97 0.74 2iz5B1 VAL 104 HG23 -0.05 0.01 -0.20 -0.04 0.95 0.67 2iz5B1 ALA 105 H -0.04 0.51 0.27 -0.55 8.40 8.59 2iz5B1 ALA 105 HA -0.03 0.26 1.03 -0.75 4.34 4.85 2iz5B1 ALA 105 HB3 -0.06 0.00 0.04 -0.04 1.41 1.36 2iz5B1 VAL 106 H -0.00 0.64 0.39 -0.55 8.24 8.71 2iz5B1 VAL 106 HA 0.01 0.32 0.93 -0.75 4.13 4.64 2iz5B1 VAL 106 HB 0.01 -0.12 0.16 -0.04 2.12 2.13 2iz5B1 VAL 106 HG13 0.01 -0.02 -0.03 -0.04 0.97 0.89 2iz5B1 VAL 106 HG23 0.01 0.02 -0.10 -0.04 0.95 0.84 2iz5B1 GLY 107 H 0.02 0.42 0.14 -0.55 8.43 8.46 2iz5B1 GLY 107 HA2 0.03 0.24 0.40 -0.51 4.01 4.18 2iz5B1 GLY 107 HA3 0.02 -0.04 0.55 -0.51 4.01 4.03 2iz5B1 MET 108 H 0.04 0.27 0.26 -0.55 8.47 8.49 2iz5B1 MET 108 HA 0.06 0.15 0.85 -0.75 4.52 4.82 2iz5B1 MET 108 HB2 0.09 -0.02 -0.21 -0.04 2.15 1.97 2iz5B1 MET 108 HB3 0.07 -0.02 0.01 -0.04 2.03 2.05 2iz5B1 MET 108 HG2 0.19 -0.06 -0.05 -0.04 2.63 2.66 2iz5B1 MET 108 HG3 0.11 0.02 -0.15 -0.04 2.56 2.50 2iz5B1 MET 108 HE3 0.08 0.06 -0.11 -0.04 2.10 2.10 2iz5B1 GLY 109 H 0.06 0.28 0.21 -0.55 8.43 8.44 2iz5B1 GLY 109 HA2 0.04 0.18 0.48 -0.51 4.01 4.20 2iz5B1 GLY 109 HA3 0.03 0.07 0.43 -0.51 4.01 4.03 2iz5B1 PRO 110 HA 0.04 0.12 0.53 -0.51 4.44 4.63 2iz5B1 PRO 110 HB2 0.02 -0.01 0.15 -0.04 2.28 2.40 2iz5B1 PRO 110 HB3 0.02 0.11 0.11 -0.04 2.02 2.22 2iz5B1 PRO 110 HG2 0.01 0.09 0.12 -0.04 2.03 2.22 2iz5B1 PRO 110 HG3 0.01 0.08 0.11 -0.04 2.03 2.19 2iz5B1 PRO 110 HD2 0.02 0.12 0.27 -0.04 3.68 4.05 2iz5B1 PRO 110 HD3 0.02 0.16 0.24 -0.04 3.65 4.03 2iz5B1 GLY 111 H 0.03 0.16 -0.04 -0.55 8.43 8.03 2iz5B1 GLY 111 HA2 0.03 0.13 0.44 -0.51 4.01 4.09 2iz5B1 GLY 111 HA3 0.02 0.09 0.27 -0.51 4.01 3.89 2iz5B1 THR 112 H 0.03 0.04 -0.23 -0.55 8.28 7.57 2iz5B1 THR 112 HA 0.00 0.10 0.39 -0.75 4.39 4.13 2iz5B1 THR 112 HB 0.04 -0.08 -0.02 -0.04 4.32 4.22 2iz5B1 THR 112 HG23 -0.03 0.06 -0.15 -0.04 1.22 1.06 2iz5B1 ALA 113 H 0.09 0.44 -0.26 -0.55 8.40 8.12 2iz5B1 ALA 113 HA 0.25 0.03 0.45 -0.75 4.34 4.32 2iz5B1 ALA 113 HB3 0.25 0.03 0.10 -0.04 1.41 1.75 2iz5B1 ALA 114 H 0.08 0.43 -0.06 -0.55 8.40 8.29 2iz5B1 ALA 114 HA 0.09 0.06 0.49 -0.75 4.34 4.22 2iz5B1 ALA 114 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 2iz5B1 GLU 115 H 0.02 0.46 -0.11 -0.55 8.60 8.43 2iz5B1 GLU 115 HA -0.01 0.03 0.40 -0.75 4.29 3.96 2iz5B1 GLU 115 HB2 -0.02 0.06 0.17 -0.04 2.09 2.25 2iz5B1 GLU 115 HB3 -0.03 -0.02 -0.06 -0.04 1.99 1.84 2iz5B1 GLU 115 HG2 -0.00 0.03 0.04 -0.04 2.34 2.37 2iz5B1 GLU 115 HG3 0.00 0.20 0.06 -0.04 2.34 2.56 2iz5B1 VAL 116 H -0.09 0.79 -0.03 -0.55 8.24 8.36 2iz5B1 VAL 116 HA -0.17 0.05 0.45 -0.75 4.13 3.71 2iz5B1 VAL 116 HB -0.64 0.02 0.10 -0.04 2.12 1.56 2iz5B1 VAL 116 HG13 -0.83 -0.00 -0.17 -0.04 0.97 -0.08 2iz5B1 VAL 116 HG23 -0.29 0.06 -0.05 -0.04 0.95 0.64 2iz5B1 ALA 117 H 0.04 0.58 -0.15 -0.55 8.40 8.32 2iz5B1 ALA 117 HA 0.09 0.03 0.35 -0.75 4.34 4.05 2iz5B1 ALA 117 HB3 0.20 0.00 0.10 -0.04 1.41 1.68 2iz5B1 LEU 118 H 0.02 0.57 -0.17 -0.55 8.37 8.24 2iz5B1 LEU 118 HA 0.01 0.02 0.43 -0.75 4.35 4.05 2iz5B1 LEU 118 HB2 -0.00 0.12 0.14 -0.04 1.64 1.86 2iz5B1 LEU 118 HB3 -0.00 -0.05 -0.08 -0.04 1.64 1.46 2iz5B1 LEU 118 HG 0.02 0.20 -0.01 -0.04 1.64 1.81 2iz5B1 LEU 118 HD13 0.01 -0.04 -0.10 -0.04 0.93 0.76 2iz5B1 LEU 118 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83 2iz5B1 ALA 119 H -0.03 0.48 -0.16 -0.55 8.40 8.14 2iz5B1 ALA 119 HA -0.03 0.07 0.49 -0.75 4.34 4.12 2iz5B1 ALA 119 HB3 -0.05 0.02 0.00 -0.04 1.41 1.34 2iz5B1 LEU 120 H -0.04 0.47 -0.13 -0.55 8.37 8.12 2iz5B1 LEU 120 HA -0.02 0.20 0.48 -0.75 4.35 4.25 2iz5B1 LEU 120 HB2 0.00 0.09 0.07 -0.04 1.64 1.76 2iz5B1 LEU 120 HB3 -0.01 -0.04 -0.02 -0.04 1.64 1.52 2iz5B1 LEU 120 HG -0.07 0.23 0.02 -0.04 1.64 1.78 2iz5B1 LEU 120 HD13 0.04 -0.05 -0.06 -0.04 0.93 0.82 2iz5B1 LEU 120 HD23 -0.04 0.02 -0.08 -0.04 0.89 0.75 2iz5B1 LYS 121 H -0.00 0.38 -0.28 -0.55 8.42 7.97 2iz5B1 LYS 121 HA -0.00 0.03 0.49 -0.75 4.32 4.09 2iz5B1 LYS 121 HB2 0.01 -0.04 0.10 -0.04 1.87 1.91 2iz5B1 LYS 121 HB3 0.01 0.08 0.17 -0.04 1.79 2.01 2iz5B1 LYS 121 HG2 0.00 0.01 -0.15 -0.04 1.46 1.29 2iz5B1 LYS 121 HG3 0.00 -0.01 0.05 -0.04 1.46 1.46 2iz5B1 LYS 121 HD2 0.01 -0.02 0.01 -0.04 1.69 1.64 2iz5B1 LYS 121 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.62 2iz5B1 LYS 121 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 2iz5B1 LYS 121 HE3 0.01 0.03 -0.03 -0.04 2.99 2.95 2iz5B1 ALA 122 H -0.01 0.38 -0.27 -0.55 8.40 7.95 2iz5B1 ALA 122 HA -0.01 0.02 0.62 -0.75 4.34 4.21 2iz5B1 ALA 122 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 2iz5B1 LYS 123 H -0.01 0.32 -0.78 -0.55 8.42 7.39 2iz5B1 LYS 123 HA -0.01 0.03 0.26 -0.75 4.32 3.84 2iz5B1 LYS 123 HB2 -0.01 0.17 0.07 -0.04 1.87 2.05 2iz5B1 LYS 123 HB3 -0.01 -0.10 0.16 -0.04 1.79 1.80 2iz5B1 LYS 123 HG2 -0.01 0.05 -0.40 -0.04 1.46 1.06 2iz5B1 LYS 123 HG3 -0.01 -0.09 -0.08 -0.04 1.46 1.24 2iz5B1 LYS 123 HD2 -0.01 -0.07 0.02 -0.04 1.69 1.59 2iz5B1 LYS 123 HD3 -0.01 0.21 0.04 -0.04 1.68 1.88 2iz5B1 LYS 123 HE2 -0.01 0.03 0.02 -0.04 2.99 2.99 2iz5B1 LYS 123 HE3 -0.01 -0.05 -0.01 -0.04 2.99 2.88 2iz5B1 LYS 124 H -0.02 0.49 -0.14 -0.55 8.42 8.19 2iz5B1 LYS 124 HA -0.03 0.23 0.80 -0.75 4.32 4.57 2iz5B1 LYS 124 HB2 -0.04 -0.18 -0.03 -0.04 1.87 1.58 2iz5B1 LYS 124 HB3 -0.04 0.04 -0.04 -0.04 1.79 1.70 2iz5B1 LYS 124 HG2 -0.02 0.03 -0.31 -0.04 1.46 1.12 2iz5B1 LYS 124 HG3 -0.03 0.16 0.02 -0.04 1.46 1.57 2iz5B1 LYS 124 HD2 -0.05 0.08 0.02 -0.04 1.69 1.70 2iz5B1 LYS 124 HD3 -0.03 -0.03 -0.04 -0.04 1.68 1.54 2iz5B1 LYS 124 HE2 -0.04 -0.08 -0.00 -0.04 2.99 2.83 2iz5B1 LYS 124 HE3 -0.03 -0.15 0.04 -0.04 2.99 2.82 2iz5B1 PRO 125 HA 0.06 0.15 0.68 -0.51 4.44 4.81 2iz5B1 PRO 125 HB2 -0.10 -0.12 0.00 -0.04 2.28 2.03 2iz5B1 PRO 125 HB3 0.06 0.04 0.11 -0.04 2.02 2.18 2iz5B1 PRO 125 HG2 -0.09 0.07 0.17 -0.04 2.03 2.14 2iz5B1 PRO 125 HG3 -0.02 0.05 0.12 -0.04 2.03 2.14 2iz5B1 PRO 125 HD2 -0.06 0.22 0.30 -0.04 3.68 4.10 2iz5B1 PRO 125 HD3 -0.03 0.26 0.30 -0.04 3.65 4.13 2iz5B1 VAL 126 H 0.07 0.65 0.30 -0.55 8.24 8.72 2iz5B1 VAL 126 HA -0.05 0.29 0.95 -0.75 4.13 4.56 2iz5B1 VAL 126 HB -0.07 -0.05 0.02 -0.04 2.12 1.98 2iz5B1 VAL 126 HG13 -0.13 -0.06 -0.26 -0.04 0.97 0.49 2iz5B1 VAL 126 HG23 -0.09 0.05 -0.22 -0.04 0.95 0.65 2iz5B1 VAL 127 H -0.04 0.82 0.43 -0.55 8.24 8.90 2iz5B1 VAL 127 HA 0.06 0.27 1.08 -0.75 4.13 4.79 2iz5B1 VAL 127 HB -0.05 -0.03 0.17 -0.04 2.12 2.17 2iz5B1 VAL 127 HG13 0.00 -0.02 -0.10 -0.04 0.97 0.80 2iz5B1 VAL 127 HG23 -0.13 0.02 -0.12 -0.04 0.95 0.68 2iz5B1 LEU 128 H 0.03 0.81 0.37 -0.55 8.37 9.04 2iz5B1 LEU 128 HA -0.01 0.13 0.87 -0.75 4.35 4.59 2iz5B1 LEU 128 HB2 0.04 -0.01 0.15 -0.04 1.64 1.77 2iz5B1 LEU 128 HB3 0.04 -0.11 -0.07 -0.04 1.64 1.46 2iz5B1 LEU 128 HG -0.01 0.11 -0.19 -0.04 1.64 1.51 2iz5B1 LEU 128 HD13 0.13 -0.02 -0.17 -0.04 0.93 0.83 2iz5B1 LEU 128 HD23 -0.13 0.00 -0.19 -0.04 0.89 0.53 2iz5B1 LEU 129 H 0.01 0.85 0.32 -0.55 8.37 9.00 2iz5B1 LEU 129 HA 0.02 0.22 0.92 -0.75 4.35 4.76 2iz5B1 LEU 129 HB2 0.01 0.00 -0.17 -0.04 1.64 1.44 2iz5B1 LEU 129 HB3 0.01 0.15 0.14 -0.04 1.64 1.90 2iz5B1 LEU 129 HG 0.01 -0.05 -0.21 -0.04 1.64 1.35 2iz5B1 LEU 129 HD13 0.02 -0.02 -0.28 -0.04 0.93 0.60 2iz5B1 LEU 129 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.72 2iz5B1 GLY 130 H 0.02 0.30 0.13 -0.55 8.43 8.33 2iz5B1 GLY 130 HA2 0.02 0.09 0.34 -0.51 4.01 3.95 2iz5B1 GLY 130 HA3 0.02 -0.03 0.40 -0.51 4.01 3.89 2iz5B1 THR 131 H 0.04 0.14 -0.20 -0.55 8.28 7.70 2iz5B1 THR 131 HA 0.05 0.14 0.78 -0.75 4.39 4.60 2iz5B1 THR 131 HB 0.10 -0.13 0.02 -0.04 4.32 4.27 2iz5B1 THR 131 HG23 0.06 0.01 -0.39 -0.04 1.22 0.85 2iz5B1 GLN 132 H 0.06 0.06 0.12 -0.55 8.47 8.16 2iz5B1 GLN 132 HA 0.03 0.30 0.72 -0.75 4.36 4.66 2iz5B1 GLN 132 HB2 0.04 -0.11 0.12 -0.04 2.15 2.16 2iz5B1 GLN 132 HB3 0.02 0.06 0.13 -0.04 2.02 2.19 2iz5B1 GLN 132 HG2 0.03 -0.04 -0.07 -0.04 2.40 2.27 2iz5B1 GLN 132 HG3 0.02 0.04 0.02 -0.04 2.39 2.43 2iz5B1 GLN 132 HE21 0.02 0.03 -0.06 -0.04 6.97 6.91 2iz5B1 GLN 132 HE22 0.02 -0.02 -0.17 -0.04 7.69 7.48 2iz5B1 PRO 133 HA 0.03 0.10 0.39 -0.51 4.44 4.46 2iz5B1 PRO 133 HB2 0.02 0.03 0.04 -0.04 2.28 2.32 2iz5B1 PRO 133 HB3 0.02 0.10 0.09 -0.04 2.02 2.18 2iz5B1 PRO 133 HG2 0.02 0.08 0.09 -0.04 2.03 2.17 2iz5B1 PRO 133 HG3 0.02 0.10 0.09 -0.04 2.03 2.19 2iz5B1 PRO 133 HD2 0.02 0.09 0.21 -0.04 3.68 3.95 2iz5B1 PRO 133 HD3 0.02 0.20 0.23 -0.04 3.65 4.06 2iz5B1 GLU 134 H 0.03 0.06 -0.39 -0.55 8.60 7.74 2iz5B1 GLU 134 HA 0.02 0.15 0.29 -0.75 4.29 3.99 2iz5B1 GLU 134 HB2 -0.00 -0.01 -0.02 -0.04 2.09 2.01 2iz5B1 GLU 134 HB3 -0.01 0.09 0.02 -0.04 1.99 2.04 2iz5B1 GLU 134 HG2 -0.01 0.08 -0.01 -0.04 2.34 2.36 2iz5B1 GLU 134 HG3 0.00 0.03 -0.02 -0.04 2.34 2.31 2iz5B1 ALA 135 H 0.06 0.05 -0.08 -0.55 8.40 7.89 2iz5B1 ALA 135 HA 0.05 0.10 0.52 -0.75 4.34 4.26 2iz5B1 ALA 135 HB3 0.22 0.02 0.03 -0.04 1.41 1.63 2iz5B1 GLU 136 H 0.10 0.43 -0.20 -0.55 8.60 8.39 2iz5B1 GLU 136 HA 0.14 0.03 0.28 -0.75 4.29 4.00 2iz5B1 GLU 136 HB2 0.05 0.08 0.07 -0.04 2.09 2.25 2iz5B1 GLU 136 HB3 0.05 0.04 -0.08 -0.04 1.99 1.96 2iz5B1 GLU 136 HG2 0.06 0.00 -0.11 -0.04 2.34 2.26 2iz5B1 GLU 136 HG3 0.08 -0.05 -0.23 -0.04 2.34 2.10 2iz5B1 LYS 137 H 0.05 0.66 -0.14 -0.55 8.42 8.44 2iz5B1 LYS 137 HA 0.02 0.04 0.42 -0.75 4.32 4.05 2iz5B1 LYS 137 HB2 0.03 0.01 0.16 -0.04 1.87 2.03 2iz5B1 LYS 137 HB3 0.03 -0.01 -0.05 -0.04 1.79 1.71 2iz5B1 LYS 137 HG2 0.01 -0.01 0.01 -0.04 1.46 1.44 2iz5B1 LYS 137 HG3 0.02 0.05 0.05 -0.04 1.46 1.54 2iz5B1 LYS 137 HD2 0.02 -0.03 -0.07 -0.04 1.69 1.57 2iz5B1 LYS 137 HD3 0.01 0.01 -0.03 -0.04 1.68 1.63 2iz5B1 LYS 137 HE2 0.01 0.02 -0.03 -0.04 2.99 2.94 2iz5B1 LYS 137 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.90 2iz5B1 PHE 138 H 0.09 0.56 -0.14 -0.55 8.34 8.29 2iz5B1 PHE 138 HA -0.12 0.05 0.42 -0.75 4.62 4.22 2iz5B1 PHE 138 HB2 -0.18 -0.03 0.09 -0.04 3.15 2.99 2iz5B1 PHE 138 HB3 -0.37 -0.00 0.19 -0.04 3.06 2.84 2iz5B1 PHE 138 HD2 -0.72 -0.02 -0.04 -0.04 7.28 6.46 2iz5B1 PHE 138 HE2 -0.23 0.00 -0.06 -0.04 7.38 7.05 2iz5B1 PHE 138 HZ -0.08 0.02 -0.05 -0.04 7.32 7.16 2iz5B1 PHE 139 H -0.13 0.70 -0.06 -0.55 8.34 8.30 2iz5B1 PHE 139 HA -0.49 0.06 0.52 -0.75 4.62 3.95 2iz5B1 PHE 139 HB2 -0.05 0.03 0.03 -0.04 3.15 3.11 2iz5B1 PHE 139 HB3 -0.11 0.04 -0.03 -0.04 3.06 2.92 2iz5B1 PHE 139 HD2 -0.06 0.05 -0.11 -0.04 7.28 7.11 2iz5B1 PHE 139 HE2 0.13 -0.04 -0.04 -0.04 7.38 7.39 2iz5B1 PHE 139 HZ 0.16 -0.11 0.03 -0.04 7.32 7.36 2iz5B1 THR 140 H 0.01 0.47 -0.23 -0.55 8.28 7.98 2iz5B1 THR 140 HA -0.03 0.08 0.26 -0.75 4.39 3.95 2iz5B1 THR 140 HB -0.01 0.08 0.17 -0.04 4.32 4.52 2iz5B1 THR 140 HG23 -0.03 -0.02 -0.09 -0.04 1.22 1.04 2iz5B1 SER 141 H -0.10 0.41 -0.38 -0.55 8.46 7.84 2iz5B1 SER 141 HA -0.05 0.00 0.41 -0.75 4.49 4.09 2iz5B1 SER 141 HB2 -0.11 0.12 0.03 -0.04 3.95 3.96 2iz5B1 SER 141 HB3 -0.03 -0.08 0.06 -0.04 3.93 3.84 2iz5B1 LEU 142 H -0.24 0.34 -0.40 -0.55 8.37 7.53 2iz5B1 LEU 142 HA -0.13 0.03 0.69 -0.75 4.35 4.19 2iz5B1 LEU 142 HB2 -0.11 0.12 0.15 -0.04 1.64 1.76 2iz5B1 LEU 142 HB3 -0.08 -0.03 0.02 -0.04 1.64 1.50 2iz5B1 LEU 142 HG -0.87 0.15 0.06 -0.04 1.64 0.94 2iz5B1 LEU 142 HD13 -0.08 -0.03 -0.02 -0.04 0.93 0.76 2iz5B1 LEU 142 HD23 -0.17 -0.02 -0.02 -0.04 0.89 0.65 2iz5B1 ASP 143 H -0.07 0.45 -0.22 -0.55 8.40 8.02 2iz5B1 ASP 143 HA -0.04 0.03 0.57 -0.75 4.63 4.43 2iz5B1 ASP 143 HB2 -0.03 0.10 -0.34 -0.04 2.71 2.40 2iz5B1 ASP 143 HB3 -0.03 -0.05 0.06 -0.04 2.70 2.64 2iz5B1 ALA 144 H -0.04 0.16 0.13 -0.55 8.40 8.10 2iz5B1 ALA 144 HA -0.06 0.09 0.65 -0.75 4.34 4.26 2iz5B1 ALA 144 HB3 -0.04 -0.00 0.11 -0.04 1.41 1.43 2iz5B1 GLY 145 H -0.04 0.06 -0.13 -0.55 8.43 7.77 2iz5B1 GLY 145 HA2 -0.06 0.05 0.30 -0.51 4.01 3.79 2iz5B1 GLY 145 HA3 -0.03 0.03 0.26 -0.51 4.01 3.75 2iz5B1 LEU 146 H -0.07 0.20 -0.51 -0.55 8.37 7.45 2iz5B1 LEU 146 HA 0.06 0.21 0.70 -0.75 4.35 4.56 2iz5B1 LEU 146 HB2 -0.02 0.00 -0.03 -0.04 1.64 1.55 2iz5B1 LEU 146 HB3 0.01 0.06 -0.02 -0.04 1.64 1.65 2iz5B1 LEU 146 HG -0.01 -0.18 -0.29 -0.04 1.64 1.11 2iz5B1 LEU 146 HD13 -0.01 0.03 -0.13 -0.04 0.93 0.77 2iz5B1 LEU 146 HD23 0.02 0.04 -0.31 -0.04 0.89 0.60 2iz5B1 VAL 147 H -0.15 0.25 -0.05 -0.55 8.24 7.74 2iz5B1 VAL 147 HA -0.01 0.22 0.69 -0.75 4.13 4.29 2iz5B1 VAL 147 HB -0.07 0.05 0.14 -0.04 2.12 2.20 2iz5B1 VAL 147 HG13 0.02 -0.06 -0.22 -0.04 0.97 0.67 2iz5B1 VAL 147 HG23 -0.01 0.02 -0.22 -0.04 0.95 0.70 2iz5B1 HIS 148 H 0.14 0.70 0.42 -0.55 8.41 9.13 2iz5B1 HIS 148 HA -0.01 0.15 0.88 -0.75 4.63 4.89 2iz5B1 HIS 148 HB2 -0.03 -0.09 0.13 -0.04 3.26 3.24 2iz5B1 HIS 148 HB3 -0.02 -0.03 -0.04 -0.04 3.20 3.07 2iz5B1 HIS 148 HD2 -0.02 -0.06 -0.08 -0.04 6.97 6.77 2iz5B1 HIS 148 HE1 -0.04 0.07 -0.11 -0.04 7.75 7.64 2iz5B1 VAL 149 H 0.02 0.24 0.11 -0.55 8.24 8.06 2iz5B1 VAL 149 HA 0.04 0.11 0.85 -0.75 4.13 4.37 2iz5B1 VAL 149 HB 0.02 0.02 0.15 -0.04 2.12 2.27 2iz5B1 VAL 149 HG13 0.03 -0.02 -0.15 -0.04 0.97 0.79 2iz5B1 VAL 149 HG23 0.03 0.00 -0.06 -0.04 0.95 0.88 2iz5B1 ALA 150 H 0.03 0.61 0.27 -0.55 8.40 8.77 2iz5B1 ALA 150 HA 0.03 0.11 0.77 -0.75 4.34 4.50 2iz5B1 ALA 150 HB3 0.02 -0.00 -0.08 -0.04 1.41 1.31 2iz5B1 ALA 151 H 0.02 0.12 0.16 -0.55 8.40 8.16 2iz5B1 ALA 151 HA 0.02 0.16 0.58 -0.75 4.34 4.35 2iz5B1 ALA 151 HB3 0.02 0.02 0.08 -0.04 1.41 1.48 2iz5B1 ASP 152 H 0.02 0.12 0.07 -0.55 8.40 8.06 2iz5B1 ASP 152 HA 0.02 0.17 0.50 -0.75 4.63 4.56 2iz5B1 ASP 152 HB2 0.01 -0.08 0.17 -0.04 2.71 2.78 2iz5B1 ASP 152 HB3 0.01 0.22 -0.04 -0.04 2.70 2.85 2iz5B1 VAL 153 H 0.01 0.21 0.15 -0.55 8.24 8.07 2iz5B1 VAL 153 HA 0.02 0.12 0.29 -0.75 4.13 3.80 2iz5B1 VAL 153 HB 0.02 -0.01 0.09 -0.04 2.12 2.18 2iz5B1 VAL 153 HG13 0.02 0.03 -0.23 -0.04 0.97 0.76 2iz5B1 VAL 153 HG23 0.01 0.01 0.09 -0.04 0.95 1.03 2iz5B1 ALA 154 H 0.02 0.08 -0.09 -0.55 8.40 7.86 2iz5B1 ALA 154 HA 0.03 0.17 0.49 -0.75 4.34 4.27 2iz5B1 ALA 154 HB3 0.02 0.03 0.03 -0.04 1.41 1.45 2iz5B1 GLY 155 H 0.02 0.02 -0.25 -0.55 8.43 7.67 2iz5B1 GLY 155 HA2 0.02 0.15 0.49 -0.51 4.01 4.16 2iz5B1 GLY 155 HA3 0.02 -0.07 0.31 -0.51 4.01 3.76 2iz5B1 ALA 156 H 0.01 0.36 -0.14 -0.55 8.40 8.09 2iz5B1 ALA 156 HA -0.00 0.05 0.39 -0.75 4.34 4.02 2iz5B1 ALA 156 HB3 0.01 0.04 0.02 -0.04 1.41 1.44 2iz5B1 ILE 157 H 0.02 0.53 -0.10 -0.55 8.25 8.14 2iz5B1 ILE 157 HA 0.06 0.06 0.35 -0.75 4.18 3.89 2iz5B1 ILE 157 HB 0.01 0.04 0.16 -0.04 1.89 2.06 2iz5B1 ILE 157 HG12 0.03 0.02 0.07 -0.04 1.49 1.57 2iz5B1 ILE 157 HG13 0.01 -0.05 -0.01 -0.04 1.21 1.12 2iz5B1 ILE 157 HG23 -0.19 0.01 -0.12 -0.04 0.93 0.59 2iz5B1 ILE 157 HD13 0.04 0.03 -0.09 -0.04 0.88 0.81 2iz5B1 ALA 158 H 0.02 0.33 -0.37 -0.55 8.40 7.83 2iz5B1 ALA 158 HA 0.04 0.04 0.31 -0.75 4.34 3.97 2iz5B1 ALA 158 HB3 0.03 -0.00 0.10 -0.04 1.41 1.49 2iz5B1 ALA 159 H -0.02 0.42 -0.21 -0.55 8.40 8.05 2iz5B1 ALA 159 HA -0.06 0.03 0.49 -0.75 4.34 4.04 2iz5B1 ALA 159 HB3 -0.10 0.00 0.05 -0.04 1.41 1.33 2iz5B1 VAL 160 H -0.09 0.51 -0.07 -0.55 8.24 8.04 2iz5B1 VAL 160 HA -0.24 0.03 0.37 -0.75 4.13 3.53 2iz5B1 VAL 160 HB -0.15 0.10 0.11 -0.04 2.12 2.14 2iz5B1 VAL 160 HG13 -0.80 0.00 -0.14 -0.04 0.97 -0.02 2iz5B1 VAL 160 HG23 -0.15 0.04 -0.05 -0.04 0.95 0.75 2iz5B1 LYS 161 H 0.02 0.58 -0.11 -0.55 8.42 8.35 2iz5B1 LYS 161 HA 0.15 0.04 0.32 -0.75 4.32 4.08 2iz5B1 LYS 161 HB2 0.12 0.10 0.12 -0.04 1.87 2.16 2iz5B1 LYS 161 HB3 0.08 -0.01 0.02 -0.04 1.79 1.84 2iz5B1 LYS 161 HG2 0.21 0.01 -0.01 -0.04 1.46 1.63 2iz5B1 LYS 161 HG3 0.34 0.02 0.01 -0.04 1.46 1.78 2iz5B1 LYS 161 HD2 0.14 -0.05 -0.04 -0.04 1.69 1.70 2iz5B1 LYS 161 HD3 0.11 -0.02 -0.04 -0.04 1.68 1.68 2iz5B1 LYS 161 HE2 0.12 0.01 -0.02 -0.04 2.99 3.06 2iz5B1 LYS 161 HE3 0.26 0.06 -0.02 -0.04 2.99 3.25 2iz5B1 GLN 162 H -0.00 0.46 -0.07 -0.55 8.47 8.31 2iz5B1 GLN 162 HA 0.00 -0.02 0.49 -0.75 4.36 4.08 2iz5B1 GLN 162 HB2 0.00 -0.05 0.14 -0.04 2.15 2.20 2iz5B1 GLN 162 HB3 -0.03 0.14 0.18 -0.04 2.02 2.26 2iz5B1 GLN 162 HG2 -0.01 0.03 -0.10 -0.04 2.40 2.28 2iz5B1 GLN 162 HG3 -0.00 -0.03 -0.01 -0.04 2.39 2.31 2iz5B1 GLN 162 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 2iz5B1 GLN 162 HE22 0.01 0.02 -0.00 -0.04 7.69 7.67 2iz5B1 LEU 163 H -0.12 0.52 -0.20 -0.55 8.37 8.03 2iz5B1 LEU 163 HA -0.08 -0.03 0.36 -0.75 4.35 3.85 2iz5B1 LEU 163 HB2 -0.20 0.05 0.13 -0.04 1.64 1.58 2iz5B1 LEU 163 HB3 -0.15 0.01 0.07 -0.04 1.64 1.54 2iz5B1 LEU 163 HG -0.27 0.48 -0.01 -0.04 1.64 1.79 2iz5B1 LEU 163 HD13 -0.48 -0.04 -0.10 -0.04 0.93 0.27 2iz5B1 LEU 163 HD23 -0.24 -0.06 -0.05 -0.04 0.89 0.50 2iz5B1 LEU 164 H -0.14 0.55 -0.07 -0.55 8.37 8.17 2iz5B1 LEU 164 HA -0.10 0.09 0.52 -0.75 4.35 4.10 2iz5B1 LEU 164 HB2 -0.07 0.06 0.09 -0.04 1.64 1.68 2iz5B1 LEU 164 HB3 -0.07 -0.03 -0.01 -0.04 1.64 1.48 2iz5B1 LEU 164 HG -0.40 0.07 -0.03 -0.04 1.64 1.23 2iz5B1 LEU 164 HD13 -0.69 -0.03 -0.08 -0.04 0.93 0.08 2iz5B1 LEU 164 HD23 -0.26 -0.01 -0.04 -0.04 0.89 0.54 2iz5B1 ALA 165 H -0.01 0.44 -0.13 -0.55 8.40 8.16 2iz5B1 ALA 165 HA 0.02 0.00 0.53 -0.75 4.34 4.14 2iz5B1 ALA 165 HB3 0.02 -0.03 0.10 -0.04 1.41 1.46 2iz5B1 LYS 166 H -0.02 0.42 -0.32 -0.55 8.42 7.94 2iz5B1 LYS 166 HA -0.00 0.01 0.38 -0.75 4.32 3.95