============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 12 0.840 -47.977 4.316 34.383 -99.200 -91.000 HIS 19 0.900 -39.399 12.626 29.178 -99.200 -91.000 TYR 21 0.840 -43.217 14.629 33.966 -99.200 -91.000 TYR 27 0.840 -52.906 6.507 33.057 -99.200 -91.000 TYR 28 0.840 -48.146 8.059 38.832 -99.200 -91.000 PHE 34 1.000 -41.683 4.266 38.639 -99.200 -91.000 TYR 35 0.840 -40.016 -2.817 45.065 -99.200 -91.000 TYR 43 0.840 -38.278 7.587 43.974 -99.200 -91.000 PHE 52 1.000 -37.104 8.589 40.495 -99.200 -91.000 HIS 57 0.900 -37.369 10.155 32.886 -99.200 -91.000 PHE 63 1.000 -37.911 6.978 29.647 -99.200 -91.000 PHE 65 1.000 -41.025 -1.124 28.575 -99.200 -91.000 HIS 69 0.900 -45.714 -11.424 24.599 -99.200 -91.000 PHE 70 1.000 -46.929 -11.991 30.144 -99.200 -91.000 TYR 81 0.840 -38.242 1.076 30.470 -99.200 -91.000 HIS 82 0.900 -32.240 5.303 23.003 -99.200 -91.000 PHE 90 1.000 -28.018 8.499 32.906 -99.200 -91.000 PHE 109 1.000 -52.765 0.397 35.015 -99.200 -91.000 TYR 124 0.840 -30.843 -0.296 37.341 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3lzaA1 ASP 21 HA -0.00 -0.04 0.12 -0.75 4.63 3.95 3lzaA1 ARG 22 H -0.01 0.17 0.06 -0.55 8.46 8.13 3lzaA1 ARG 22 HA -0.00 0.10 0.60 -0.75 4.34 4.29 3lzaA1 ARG 22 HB2 -0.02 -0.04 0.03 -0.04 1.90 1.84 3lzaA1 ARG 22 HB3 -0.01 -0.02 0.00 -0.04 1.80 1.72 3lzaA1 ARG 22 HG2 -0.01 0.02 0.02 -0.04 1.67 1.66 3lzaA1 ARG 22 HG3 -0.01 0.01 0.03 -0.04 1.67 1.66 3lzaA1 ARG 22 HD2 -0.03 -0.02 -0.06 -0.04 3.22 3.07 3lzaA1 ARG 22 HD3 -0.03 -0.00 -0.05 -0.04 3.22 3.11 3lzaA1 PRO 23 HA -0.00 0.12 0.47 -0.51 4.44 4.51 3lzaA1 PRO 23 HB2 0.00 -0.20 -0.03 -0.04 2.28 2.01 3lzaA1 PRO 23 HB3 0.01 0.06 0.13 -0.04 2.02 2.17 3lzaA1 PRO 23 HG2 0.02 0.04 0.10 -0.04 2.03 2.15 3lzaA1 PRO 23 HG3 0.02 0.10 0.12 -0.04 2.03 2.22 3lzaA1 PRO 23 HD2 0.00 0.09 0.25 -0.04 3.68 3.99 3lzaA1 PRO 23 HD3 0.01 0.28 0.23 -0.04 3.65 4.13 3lzaA1 ILE 24 H -0.01 0.19 0.16 -0.55 8.25 8.04 3lzaA1 ILE 24 HA -0.03 0.12 0.32 -0.75 4.18 3.84 3lzaA1 ILE 24 HB -0.02 0.07 0.13 -0.04 1.89 2.03 3lzaA1 ILE 24 HG12 -0.03 0.05 -0.02 -0.04 1.49 1.45 3lzaA1 ILE 24 HG13 -0.05 -0.05 -0.11 -0.04 1.21 0.96 3lzaA1 ILE 24 HG23 -0.01 0.01 0.03 -0.04 0.93 0.91 3lzaA1 ILE 24 HD13 -0.03 0.01 0.02 -0.04 0.88 0.84 3lzaA1 GLU 25 H -0.01 0.10 -0.26 -0.55 8.60 7.88 3lzaA1 GLU 25 HA -0.08 0.07 0.32 -0.75 4.29 3.84 3lzaA1 GLU 25 HB2 0.01 0.01 -0.04 -0.04 2.09 2.03 3lzaA1 GLU 25 HB3 0.04 0.10 -0.06 -0.04 1.99 2.03 3lzaA1 GLU 25 HG2 0.04 0.04 -0.34 -0.04 2.34 2.04 3lzaA1 GLU 25 HG3 0.00 -0.03 -0.10 -0.04 2.34 2.17 3lzaA1 GLN 26 H -0.02 0.14 -0.34 -0.55 8.47 7.71 3lzaA1 GLN 26 HA -0.02 0.10 0.50 -0.75 4.36 4.19 3lzaA1 GLN 26 HB2 -0.02 0.13 0.02 -0.04 2.15 2.25 3lzaA1 GLN 26 HB3 -0.03 0.02 -0.06 -0.04 2.02 1.91 3lzaA1 GLN 26 HG2 -0.03 0.09 -0.10 -0.04 2.40 2.33 3lzaA1 GLN 26 HG3 -0.00 -0.10 -0.07 -0.04 2.39 2.18 3lzaA1 GLN 26 HE21 0.03 0.03 0.07 -0.04 6.97 7.06 3lzaA1 GLN 26 HE22 0.03 -0.08 -0.01 -0.04 7.69 7.59 3lzaA1 GLN 27 H -0.03 0.44 -0.22 -0.55 8.47 8.12 3lzaA1 GLN 27 HA -0.03 0.06 0.47 -0.75 4.36 4.10 3lzaA1 GLN 27 HB2 -0.03 0.05 0.09 -0.04 2.15 2.22 3lzaA1 GLN 27 HB3 -0.02 -0.02 0.01 -0.04 2.02 1.94 3lzaA1 GLN 27 HG2 -0.02 -0.03 -0.03 -0.04 2.40 2.28 3lzaA1 GLN 27 HG3 -0.02 0.15 -0.18 -0.04 2.39 2.30 3lzaA1 GLN 27 HE21 -0.01 -0.07 -0.05 -0.04 6.97 6.80 3lzaA1 GLN 27 HE22 -0.01 0.39 -0.04 -0.04 7.69 7.98 3lzaA1 LEU 28 H -0.11 0.61 -0.17 -0.55 8.37 8.16 3lzaA1 LEU 28 HA -0.08 0.00 0.37 -0.75 4.35 3.89 3lzaA1 LEU 28 HB2 -0.37 0.00 0.17 -0.04 1.64 1.40 3lzaA1 LEU 28 HB3 -1.02 0.00 -0.11 -0.04 1.64 0.47 3lzaA1 LEU 28 HG -0.17 0.02 0.00 -0.04 1.64 1.46 3lzaA1 LEU 28 HD13 -0.39 -0.02 -0.05 -0.04 0.93 0.42 3lzaA1 LEU 28 HD23 -0.07 -0.01 0.02 -0.04 0.89 0.79 3lzaA1 ALA 29 H -0.09 0.51 -0.21 -0.55 8.40 8.06 3lzaA1 ALA 29 HA 0.18 -0.00 0.40 -0.75 4.34 4.16 3lzaA1 ALA 29 HB3 0.10 0.05 0.07 -0.04 1.41 1.59 3lzaA1 LEU 30 H -0.01 0.54 -0.20 -0.55 8.37 8.15 3lzaA1 LEU 30 HA 0.00 0.04 0.48 -0.75 4.35 4.12 3lzaA1 LEU 30 HB2 -0.02 0.08 0.13 -0.04 1.64 1.78 3lzaA1 LEU 30 HB3 -0.03 -0.04 0.01 -0.04 1.64 1.54 3lzaA1 LEU 30 HG -0.04 0.15 0.01 -0.04 1.64 1.73 3lzaA1 LEU 30 HD13 -0.04 -0.01 -0.04 -0.04 0.93 0.79 3lzaA1 LEU 30 HD23 -0.07 -0.01 -0.04 -0.04 0.89 0.73 3lzaA1 GLY 31 H 0.00 0.49 -0.24 -0.55 8.43 8.14 3lzaA1 GLY 31 HA2 0.03 0.01 0.38 -0.51 4.01 3.92 3lzaA1 GLY 31 HA3 0.09 0.09 0.27 -0.51 4.01 3.95 3lzaA1 TYR 32 H -0.06 0.45 -0.21 -0.55 8.29 7.92 3lzaA1 TYR 32 HA -0.64 0.02 0.47 -0.75 4.56 3.66 3lzaA1 TYR 32 HB2 -0.71 0.05 0.08 -0.04 3.06 2.44 3lzaA1 TYR 32 HB3 -0.10 0.15 0.17 -0.04 2.98 3.16 3lzaA1 TYR 32 HD2 -0.29 0.06 -0.12 -0.04 7.15 6.76 3lzaA1 TYR 32 HE2 -0.03 -0.01 -0.12 -0.04 6.85 6.65 3lzaA1 ILE 33 H 0.12 0.62 -0.09 -0.55 8.25 8.35 3lzaA1 ILE 33 HA 0.06 -0.03 0.30 -0.75 4.18 3.76 3lzaA1 ILE 33 HB 0.06 0.10 0.12 -0.04 1.89 2.14 3lzaA1 ILE 33 HG12 0.26 0.14 0.04 -0.04 1.49 1.89 3lzaA1 ILE 33 HG13 0.23 0.02 -0.07 -0.04 1.21 1.35 3lzaA1 ILE 33 HG23 0.08 -0.01 -0.11 -0.04 0.93 0.85 3lzaA1 ILE 33 HD13 0.32 -0.03 -0.09 -0.04 0.88 1.04 3lzaA1 LYS 34 H -0.03 0.65 -0.23 -0.55 8.42 8.26 3lzaA1 LYS 34 HA -0.07 0.01 0.49 -0.75 4.32 4.00 3lzaA1 LYS 34 HB2 -0.03 0.08 0.12 -0.04 1.87 1.99 3lzaA1 LYS 34 HB3 -0.02 0.09 0.16 -0.04 1.79 1.97 3lzaA1 LYS 34 HG2 -0.04 -0.03 -0.15 -0.04 1.46 1.20 3lzaA1 LYS 34 HG3 -0.05 -0.02 0.03 -0.04 1.46 1.39 3lzaA1 LYS 34 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.62 3lzaA1 LYS 34 HD3 -0.01 -0.00 -0.01 -0.04 1.68 1.61 3lzaA1 LYS 34 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.91 3lzaA1 LYS 34 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.90 3lzaA1 ALA 35 H -0.07 0.52 -0.20 -0.55 8.40 8.09 3lzaA1 ALA 35 HA -0.06 -0.02 0.34 -0.75 4.34 3.84 3lzaA1 ALA 35 HB3 -0.03 0.03 0.05 -0.04 1.41 1.41 3lzaA1 LEU 36 H -0.18 0.58 -0.12 -0.55 8.37 8.11 3lzaA1 LEU 36 HA 0.06 -0.03 0.31 -0.75 4.35 3.94 3lzaA1 LEU 36 HB2 -0.17 -0.02 0.00 -0.04 1.64 1.42 3lzaA1 LEU 36 HB3 -0.01 0.07 0.06 -0.04 1.64 1.72 3lzaA1 LEU 36 HG 0.41 0.03 -0.36 -0.04 1.64 1.68 3lzaA1 LEU 36 HD13 0.43 -0.02 -0.07 -0.04 0.93 1.22 3lzaA1 LEU 36 HD23 0.36 -0.01 -0.13 -0.04 0.89 1.07 3lzaA1 THR 37 H -0.10 0.61 -0.18 -0.55 8.28 8.07 3lzaA1 THR 37 HA -0.12 0.06 0.41 -0.75 4.39 3.99 3lzaA1 THR 37 HB -0.41 0.20 -0.02 -0.04 4.32 4.05 3lzaA1 THR 37 HG23 -0.55 -0.07 -0.11 -0.04 1.22 0.45 3lzaA1 GLU 38 H -0.15 0.52 -0.19 -0.55 8.60 8.23 3lzaA1 GLU 38 HA -0.20 0.15 0.75 -0.75 4.29 4.24 3lzaA1 GLU 38 HB2 -0.10 0.07 0.10 -0.04 2.09 2.12 3lzaA1 GLU 38 HB3 -0.08 -0.10 0.12 -0.04 1.99 1.88 3lzaA1 GLU 38 HG2 -0.07 -0.01 0.05 -0.04 2.34 2.27 3lzaA1 GLU 38 HG3 -0.09 0.05 0.03 -0.04 2.34 2.28 3lzaA1 HIS 39 H -0.33 0.32 -0.66 -0.55 8.41 7.19 3lzaA1 HIS 39 HA -0.34 0.05 0.21 -0.75 4.63 3.81 3lzaA1 HIS 39 HB2 -0.13 0.08 0.11 -0.04 3.26 3.27 3lzaA1 HIS 39 HB3 -0.15 -0.10 0.11 -0.04 3.20 3.02 3lzaA1 HIS 39 HD2 0.00 0.00 -0.19 -0.04 6.97 6.74 3lzaA1 HIS 39 HE1 -0.59 -0.07 -0.04 -0.04 7.75 7.00 3lzaA1 ASP 40 H -0.23 0.67 -0.15 -0.55 8.40 8.14 3lzaA1 ASP 40 HA -0.20 0.12 0.70 -0.75 4.63 4.50 3lzaA1 ASP 40 HB2 -0.09 0.16 -0.05 -0.04 2.71 2.70 3lzaA1 ASP 40 HB3 -0.09 0.03 0.18 -0.04 2.70 2.79 3lzaA1 TYR 41 H -0.17 0.30 0.11 -0.55 8.29 7.98 3lzaA1 TYR 41 HA 0.08 0.09 0.24 -0.75 4.56 4.22 3lzaA1 TYR 41 HB2 0.06 0.03 0.02 -0.04 3.06 3.13 3lzaA1 TYR 41 HB3 0.09 -0.02 0.03 -0.04 2.98 3.04 3lzaA1 TYR 41 HD2 0.09 -0.04 -0.11 -0.04 7.15 7.05 3lzaA1 TYR 41 HE2 0.11 0.03 -0.09 -0.04 6.85 6.86 3lzaA1 GLN 42 H 0.08 0.10 -0.09 -0.55 8.47 8.01 3lzaA1 GLN 42 HA 0.09 0.12 0.51 -0.75 4.36 4.32 3lzaA1 GLN 42 HB2 0.03 -0.03 0.08 -0.04 2.15 2.19 3lzaA1 GLN 42 HB3 0.04 0.06 -0.00 -0.04 2.02 2.07 3lzaA1 GLN 42 HG2 0.04 0.05 0.01 -0.04 2.40 2.46 3lzaA1 GLN 42 HG3 0.07 0.02 0.01 -0.04 2.39 2.44 3lzaA1 GLN 42 HE21 0.08 0.05 0.02 -0.04 6.97 7.09 3lzaA1 GLN 42 HE22 0.08 0.02 -0.01 -0.04 7.69 7.73 3lzaA1 THR 43 H 0.03 0.07 -0.20 -0.55 8.28 7.63 3lzaA1 THR 43 HA 0.02 0.09 0.42 -0.75 4.39 4.17 3lzaA1 THR 43 HB 0.03 0.08 0.07 -0.04 4.32 4.46 3lzaA1 THR 43 HG23 0.11 0.01 -0.08 -0.04 1.22 1.22 3lzaA1 LEU 44 H 0.07 0.51 -0.11 -0.55 8.37 8.29 3lzaA1 LEU 44 HA 0.09 0.05 0.31 -0.75 4.35 4.04 3lzaA1 LEU 44 HB2 0.04 0.13 -0.09 -0.04 1.64 1.68 3lzaA1 LEU 44 HB3 0.21 -0.03 -0.01 -0.04 1.64 1.77 3lzaA1 LEU 44 HG -0.17 -0.05 -0.17 -0.04 1.64 1.21 3lzaA1 LEU 44 HD13 -0.58 -0.01 -0.03 -0.04 0.93 0.27 3lzaA1 LEU 44 HD23 0.31 0.00 -0.16 -0.04 0.89 1.00 3lzaA1 SER 45 H 0.12 0.50 -0.32 -0.55 8.46 8.22 3lzaA1 SER 45 HA 0.19 -0.06 0.28 -0.75 4.49 4.15 3lzaA1 SER 45 HB2 0.15 -0.10 0.06 -0.04 3.95 4.02 3lzaA1 SER 45 HB3 0.17 0.06 0.13 -0.04 3.93 4.24 3lzaA1 LYS 46 H 0.02 0.34 -0.35 -0.55 8.42 7.87 3lzaA1 LYS 46 HA -0.02 0.01 0.52 -0.75 4.32 4.09 3lzaA1 LYS 46 HB2 -0.28 0.13 0.04 -0.04 1.87 1.72 3lzaA1 LYS 46 HB3 -0.20 -0.04 0.06 -0.04 1.79 1.57 3lzaA1 LYS 46 HG2 -0.04 0.12 0.13 -0.04 1.46 1.63 3lzaA1 LYS 46 HG3 -0.08 -0.07 0.03 -0.04 1.46 1.30 3lzaA1 LYS 46 HD2 -0.03 -0.03 0.03 -0.04 1.69 1.62 3lzaA1 LYS 46 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 3lzaA1 LYS 46 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.87 3lzaA1 LYS 46 HE3 -0.00 -0.05 -0.01 -0.04 2.99 2.89 3lzaA1 TYR 47 H 0.08 0.55 -0.25 -0.55 8.29 8.12 3lzaA1 TYR 47 HA 0.10 0.21 0.81 -0.75 4.56 4.92 3lzaA1 TYR 47 HB2 -0.07 0.15 0.08 -0.04 3.06 3.18 3lzaA1 TYR 47 HB3 0.27 -0.17 0.11 -0.04 2.98 3.15 3lzaA1 TYR 47 HD2 0.09 0.10 0.07 -0.04 7.15 7.38 3lzaA1 TYR 47 HE2 -0.04 -0.03 -0.09 -0.04 6.85 6.66 3lzaA1 TYR 48 H 0.13 0.40 -0.14 -0.55 8.29 8.13 3lzaA1 TYR 48 HA 0.18 0.11 1.02 -0.75 4.56 5.12 3lzaA1 TYR 48 HB2 0.16 0.04 0.11 -0.04 3.06 3.33 3lzaA1 TYR 48 HB3 0.15 -0.05 0.03 -0.04 2.98 3.06 3lzaA1 TYR 48 HD2 0.21 -0.00 -0.10 -0.04 7.15 7.22 3lzaA1 TYR 48 HE2 0.34 -0.02 -0.18 -0.04 6.85 6.95 3lzaA1 ASN 49 H 0.22 0.16 0.21 -0.55 8.53 8.57 3lzaA1 ASN 49 HA 0.12 0.28 0.70 -0.75 4.76 5.10 3lzaA1 ASN 49 HB2 0.07 -0.09 0.23 -0.04 2.88 3.05 3lzaA1 ASN 49 HB3 0.10 0.16 0.06 -0.04 2.79 3.07 3lzaA1 ASN 49 HD21 0.08 0.10 -0.10 -0.04 7.03 7.07 3lzaA1 ASN 49 HD22 0.10 0.04 -0.08 -0.04 7.74 7.76 3lzaA1 ARG 50 H 0.06 0.24 0.18 -0.55 8.46 8.39 3lzaA1 ARG 50 HA 0.04 -0.07 0.55 -0.75 4.34 4.12 3lzaA1 ARG 50 HB2 0.02 0.05 0.15 -0.04 1.90 2.08 3lzaA1 ARG 50 HB3 0.04 0.02 0.17 -0.04 1.80 1.99 3lzaA1 ARG 50 HG2 0.03 -0.05 0.07 -0.04 1.67 1.69 3lzaA1 ARG 50 HG3 0.02 0.08 -0.31 -0.04 1.67 1.43 3lzaA1 ARG 50 HD2 0.02 0.02 -0.02 -0.04 3.22 3.20 3lzaA1 ARG 50 HD3 0.01 0.03 -0.02 -0.04 3.22 3.20 3lzaA1 ASP 51 H 0.05 0.01 -0.32 -0.55 8.40 7.58 3lzaA1 ASP 51 HA 0.01 0.22 0.75 -0.75 4.63 4.86 3lzaA1 ASP 51 HB2 0.03 -0.01 0.02 -0.04 2.71 2.71 3lzaA1 ASP 51 HB3 0.01 0.06 0.12 -0.04 2.70 2.85 3lzaA1 SER 52 H 0.06 0.13 -0.15 -0.55 8.46 7.95 3lzaA1 SER 52 HA 0.05 0.29 0.51 -0.75 4.49 4.59 3lzaA1 SER 52 HB2 0.03 -0.11 0.08 -0.04 3.95 3.90 3lzaA1 SER 52 HB3 0.14 0.04 -0.10 -0.04 3.93 3.97 3lzaA1 VAL 53 H 0.01 0.53 0.28 -0.55 8.24 8.51 3lzaA1 VAL 53 HA 0.03 0.21 1.00 -0.75 4.13 4.62 3lzaA1 VAL 53 HB -0.01 -0.01 0.23 -0.04 2.12 2.29 3lzaA1 VAL 53 HG13 -0.03 -0.02 -0.16 -0.04 0.97 0.72 3lzaA1 VAL 53 HG23 -0.03 0.06 -0.08 -0.04 0.95 0.86 3lzaA1 PHE 54 H 0.19 0.75 0.29 -0.55 8.34 9.01 3lzaA1 PHE 54 HA 0.10 0.09 0.84 -0.75 4.62 4.90 3lzaA1 PHE 54 HB2 0.05 -0.01 0.00 -0.04 3.15 3.15 3lzaA1 PHE 54 HB3 0.13 -0.08 0.23 -0.04 3.06 3.30 3lzaA1 PHE 54 HD2 0.18 -0.01 -0.34 -0.04 7.28 7.07 3lzaA1 PHE 54 HE2 0.22 -0.01 -0.16 -0.04 7.38 7.40 3lzaA1 PHE 54 HZ 0.20 0.02 -0.13 -0.04 7.32 7.37 3lzaA1 TYR 55 H 0.17 0.72 0.26 -0.55 8.29 8.89 3lzaA1 TYR 55 HA 0.08 0.28 0.98 -0.75 4.56 5.14 3lzaA1 TYR 55 HB2 0.01 -0.04 -0.05 -0.04 3.06 2.94 3lzaA1 TYR 55 HB3 -0.00 0.07 0.26 -0.04 2.98 3.27 3lzaA1 TYR 55 HD2 -0.01 0.14 -0.07 -0.04 7.15 7.17 3lzaA1 TYR 55 HE2 -0.01 0.01 -0.11 -0.04 6.85 6.69 3lzaA1 ASP 56 H 0.19 0.67 0.29 -0.55 8.40 9.00 3lzaA1 ASP 56 HA -0.02 0.13 1.10 -0.75 4.63 5.09 3lzaA1 ASP 56 HB2 0.21 0.07 0.05 -0.04 2.71 3.00 3lzaA1 ASP 56 HB3 0.10 -0.04 0.22 -0.04 2.70 2.93 3lzaA1 LYS 57 H -0.36 0.55 0.27 -0.55 8.42 8.32 3lzaA1 LYS 57 HA -0.73 0.07 0.28 -0.75 4.32 3.19 3lzaA1 LYS 57 HB2 -0.57 0.01 0.09 -0.04 1.87 1.36 3lzaA1 LYS 57 HB3 -0.21 0.02 0.11 -0.04 1.79 1.67 3lzaA1 LYS 57 HG2 -0.07 0.02 -0.08 -0.04 1.46 1.29 3lzaA1 LYS 57 HG3 -0.09 -0.00 0.04 -0.04 1.46 1.36 3lzaA1 LYS 57 HD2 -0.03 -0.00 -0.02 -0.04 1.69 1.59 3lzaA1 LYS 57 HD3 -0.05 0.00 -0.03 -0.04 1.68 1.56 3lzaA1 LYS 57 HE2 0.02 0.01 -0.03 -0.04 2.99 2.95 3lzaA1 LYS 57 HE3 0.07 0.00 -0.02 -0.04 2.99 3.00 3lzaA1 THR 58 H -0.05 0.18 0.07 -0.55 8.28 7.92 3lzaA1 THR 58 HA 0.03 0.13 0.55 -0.75 4.39 4.35 3lzaA1 THR 58 HB 0.24 0.04 0.05 -0.04 4.32 4.62 3lzaA1 THR 58 HG23 0.01 0.02 0.11 -0.04 1.22 1.31 3lzaA1 ALA 59 H 0.10 0.04 -0.32 -0.55 8.40 7.68 3lzaA1 ALA 59 HA -0.03 0.18 0.70 -0.75 4.34 4.43 3lzaA1 ALA 59 HB3 -0.04 -0.01 0.03 -0.04 1.41 1.35 3lzaA1 ASP 60 H 0.00 0.20 -0.26 -0.55 8.40 7.79 3lzaA1 ASP 60 HA 0.15 -0.01 0.31 -0.75 4.63 4.32 3lzaA1 ASP 60 HB2 0.03 0.02 -0.08 -0.04 2.71 2.65 3lzaA1 ASP 60 HB3 0.01 0.13 0.20 -0.04 2.70 2.99 3lzaA1 THR 61 H 0.05 0.29 0.03 -0.55 8.28 8.10 3lzaA1 THR 61 HA -0.12 0.25 0.96 -0.75 4.39 4.72 3lzaA1 THR 61 HB -0.32 0.00 0.01 -0.04 4.32 3.97 3lzaA1 THR 61 HG23 -0.07 0.05 -0.20 -0.04 1.22 0.96 3lzaA1 LYS 62 H -0.38 0.27 0.15 -0.55 8.42 7.91 3lzaA1 LYS 62 HA -0.03 0.33 1.00 -0.75 4.32 4.87 3lzaA1 LYS 62 HB2 -0.12 -0.02 -0.27 -0.04 1.87 1.42 3lzaA1 LYS 62 HB3 -0.20 -0.01 0.01 -0.04 1.79 1.56 3lzaA1 LYS 62 HG2 -0.10 -0.00 -0.24 -0.04 1.46 1.08 3lzaA1 LYS 62 HG3 -0.04 0.00 -0.14 -0.04 1.46 1.24 3lzaA1 LYS 62 HD2 -0.18 -0.00 -0.10 -0.04 1.69 1.36 3lzaA1 LYS 62 HD3 -0.22 -0.00 -0.10 -0.04 1.68 1.31 3lzaA1 LYS 62 HE2 -0.50 0.00 -0.18 -0.04 2.99 2.27 3lzaA1 LYS 62 HE3 -0.31 0.01 -0.11 -0.04 2.99 2.54 3lzaA1 TYR 63 H 0.05 0.67 0.32 -0.55 8.29 8.78 3lzaA1 TYR 63 HA -0.13 0.15 0.87 -0.75 4.56 4.69 3lzaA1 TYR 63 HB2 -0.20 -0.02 0.09 -0.04 3.06 2.89 3lzaA1 TYR 63 HB3 -0.16 -0.01 -0.17 -0.04 2.98 2.60 3lzaA1 TYR 63 HD2 -0.43 0.01 -0.06 -0.04 7.15 6.63 3lzaA1 TYR 63 HE2 -0.69 -0.00 -0.07 -0.04 6.85 6.04 3lzaA1 ILE 64 H 0.02 0.19 0.12 -0.55 8.25 8.03 3lzaA1 ILE 64 HA 0.00 0.39 1.10 -0.75 4.18 4.92 3lzaA1 ILE 64 HB -0.03 -0.05 0.07 -0.04 1.89 1.84 3lzaA1 ILE 64 HG12 -0.04 0.05 -0.20 -0.04 1.49 1.26 3lzaA1 ILE 64 HG13 -0.07 -0.15 -0.55 -0.04 1.21 0.40 3lzaA1 ILE 64 HG23 -0.02 0.05 -0.17 -0.04 0.93 0.76 3lzaA1 ILE 64 HD13 -0.08 0.00 -0.09 -0.04 0.88 0.67 3lzaA1 GLY 65 H -0.02 0.69 0.15 -0.55 8.43 8.71 3lzaA1 GLY 65 HA2 0.02 0.11 0.43 -0.51 4.01 4.06 3lzaA1 GLY 65 HA3 0.01 0.10 0.69 -0.51 4.01 4.30 3lzaA1 THR 66 H 0.07 0.25 -0.06 -0.55 8.28 7.99 3lzaA1 THR 66 HA 0.11 0.06 0.33 -0.75 4.39 4.14 3lzaA1 THR 66 HB 0.10 -0.08 0.04 -0.04 4.32 4.34 3lzaA1 THR 66 HG23 0.22 0.02 -0.06 -0.04 1.22 1.36 3lzaA1 ARG 67 H 0.04 0.11 -0.14 -0.55 8.46 7.91 3lzaA1 ARG 67 HA 0.03 0.08 0.29 -0.75 4.34 3.98 3lzaA1 ARG 67 HB2 0.02 0.00 0.08 -0.04 1.90 1.96 3lzaA1 ARG 67 HB3 0.01 0.05 -0.02 -0.04 1.80 1.80 3lzaA1 ARG 67 HG2 0.03 0.03 -0.00 -0.04 1.67 1.69 3lzaA1 ARG 67 HG3 0.04 -0.05 0.03 -0.04 1.67 1.65 3lzaA1 ARG 67 HD2 0.02 0.01 0.01 -0.04 3.22 3.22 3lzaA1 ARG 67 HD3 0.01 0.02 -0.00 -0.04 3.22 3.21 3lzaA1 SER 68 H 0.01 0.20 -0.23 -0.55 8.46 7.90 3lzaA1 SER 68 HA 0.01 0.07 0.45 -0.75 4.49 4.26 3lzaA1 SER 68 HB2 0.03 0.21 0.01 -0.04 3.95 4.16 3lzaA1 SER 68 HB3 0.09 -0.04 0.05 -0.04 3.93 3.99 3lzaA1 ILE 69 H -0.04 0.54 -0.31 -0.55 8.25 7.88 3lzaA1 ILE 69 HA -0.06 0.03 0.28 -0.75 4.18 3.68 3lzaA1 ILE 69 HB -0.32 0.06 -0.04 -0.04 1.89 1.54 3lzaA1 ILE 69 HG12 0.07 -0.03 -0.18 -0.04 1.49 1.31 3lzaA1 ILE 69 HG13 -0.04 -0.01 -0.44 -0.04 1.21 0.68 3lzaA1 ILE 69 HG23 -0.02 -0.01 -0.23 -0.04 0.93 0.63 3lzaA1 ILE 69 HD13 -0.26 0.01 -0.31 -0.04 0.88 0.29 3lzaA1 ILE 70 H 0.01 0.60 -0.04 -0.55 8.25 8.27 3lzaA1 ILE 70 HA -0.05 0.02 0.41 -0.75 4.18 3.81 3lzaA1 ILE 70 HB 0.01 0.09 0.09 -0.04 1.89 2.04 3lzaA1 ILE 70 HG12 0.27 0.05 0.06 -0.04 1.49 1.83 3lzaA1 ILE 70 HG13 0.20 -0.02 -0.01 -0.04 1.21 1.33 3lzaA1 ILE 70 HG23 -0.18 -0.01 -0.15 -0.04 0.93 0.55 3lzaA1 ILE 70 HD13 0.33 -0.02 -0.07 -0.04 0.88 1.08 3lzaA1 ALA 71 H -0.06 0.50 -0.24 -0.55 8.40 8.06 3lzaA1 ALA 71 HA -0.14 -0.00 0.42 -0.75 4.34 3.87 3lzaA1 ALA 71 HB3 -0.05 0.02 0.09 -0.04 1.41 1.43 3lzaA1 PHE 72 H -0.08 0.42 -0.32 -0.55 8.34 7.80 3lzaA1 PHE 72 HA -0.34 0.02 0.49 -0.75 4.62 4.04 3lzaA1 PHE 72 HB2 -0.85 -0.00 0.10 -0.04 3.15 2.35 3lzaA1 PHE 72 HB3 -0.69 0.12 0.17 -0.04 3.06 2.62 3lzaA1 PHE 72 HD2 -0.65 0.01 -0.04 -0.04 7.28 6.56 3lzaA1 PHE 72 HE2 -0.39 -0.00 -0.08 -0.04 7.38 6.86 3lzaA1 PHE 72 HZ -0.20 0.00 -0.08 -0.04 7.32 7.00 3lzaA1 LEU 73 H -0.25 0.51 -0.12 -0.55 8.37 7.96 3lzaA1 LEU 73 HA -0.65 0.03 0.37 -0.75 4.35 3.35 3lzaA1 LEU 73 HB2 -0.19 0.08 0.12 -0.04 1.64 1.61 3lzaA1 LEU 73 HB3 0.19 -0.01 -0.02 -0.04 1.64 1.76 3lzaA1 LEU 73 HG -0.04 0.16 -0.00 -0.04 1.64 1.72 3lzaA1 LEU 73 HD13 0.37 -0.02 -0.12 -0.04 0.93 1.12 3lzaA1 LEU 73 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.71 3lzaA1 GLN 74 H -0.38 0.58 -0.15 -0.55 8.47 7.97 3lzaA1 GLN 74 HA -0.18 0.02 0.41 -0.75 4.36 3.86 3lzaA1 GLN 74 HB2 -0.22 0.12 0.13 -0.04 2.15 2.14 3lzaA1 GLN 74 HB3 -0.15 -0.05 -0.05 -0.04 2.02 1.73 3lzaA1 GLN 74 HG2 -0.29 -0.04 0.00 -0.04 2.40 2.02 3lzaA1 GLN 74 HG3 -0.68 0.14 0.02 -0.04 2.39 1.83 3lzaA1 GLN 74 HE21 -0.05 -0.03 -0.05 -0.04 6.97 6.80 3lzaA1 GLN 74 HE22 -0.08 -0.03 -0.05 -0.04 7.69 7.50 3lzaA1 ARG 75 H -0.26 0.49 -0.14 -0.55 8.46 8.00 3lzaA1 ARG 75 HA -0.16 -0.01 0.47 -0.75 4.34 3.89 3lzaA1 ARG 75 HB2 -0.26 0.10 0.16 -0.04 1.90 1.86 3lzaA1 ARG 75 HB3 -0.17 -0.04 0.00 -0.04 1.80 1.55 3lzaA1 ARG 75 HG2 -0.10 -0.07 0.05 -0.04 1.67 1.51 3lzaA1 ARG 75 HG3 -0.13 0.22 0.11 -0.04 1.67 1.83 3lzaA1 ARG 75 HD2 -0.07 -0.02 0.00 -0.04 3.22 3.09 3lzaA1 ARG 75 HD3 -0.05 -0.05 -0.01 -0.04 3.22 3.07 3lzaA1 SER 76 H -0.56 0.48 -0.21 -0.55 8.46 7.62 3lzaA1 SER 76 HA -0.43 0.02 0.33 -0.75 4.49 3.65 3lzaA1 SER 76 HB2 -1.11 0.04 0.11 -0.04 3.95 2.95 3lzaA1 SER 76 HB3 -0.84 -0.06 -0.03 -0.04 3.93 2.96 3lzaA1 HIS 77 H -0.29 0.47 -0.17 -0.55 8.41 7.87 3lzaA1 HIS 77 HA -0.20 0.16 0.60 -0.75 4.63 4.43 3lzaA1 HIS 77 HB2 -0.08 0.15 0.07 -0.04 3.26 3.36 3lzaA1 HIS 77 HB3 -0.43 -0.05 0.09 -0.04 3.20 2.77 3lzaA1 HIS 77 HD2 -0.33 0.06 -0.17 -0.04 6.97 6.49 3lzaA1 HIS 77 HE1 -0.07 -0.05 -0.09 -0.04 7.75 7.49 3lzaA1 GLU 78 H -0.12 0.28 -0.31 -0.55 8.60 7.90 3lzaA1 GLU 78 HA -0.06 0.00 0.45 -0.75 4.29 3.93 3lzaA1 GLU 78 HB2 -0.09 0.00 0.20 -0.04 2.09 2.16 3lzaA1 GLU 78 HB3 -0.07 -0.03 0.09 -0.04 1.99 1.94 3lzaA1 GLU 78 HG2 -0.03 0.00 0.08 -0.04 2.34 2.35 3lzaA1 GLU 78 HG3 -0.05 -0.04 0.02 -0.04 2.34 2.24 3lzaA1 GLY 79 H -0.06 0.15 0.25 -0.55 8.43 8.23 3lzaA1 GLY 79 HA2 -0.02 -0.02 0.35 -0.51 4.01 3.82 3lzaA1 GLY 79 HA3 -0.02 0.04 0.43 -0.51 4.01 3.95 3lzaA1 VAL 80 H -0.09 0.46 -0.24 -0.55 8.24 7.82 3lzaA1 VAL 80 HA 0.03 -0.03 0.46 -0.75 4.13 3.84 3lzaA1 VAL 80 HB -0.14 0.10 0.11 -0.04 2.12 2.15 3lzaA1 VAL 80 HG13 0.09 -0.02 -0.16 -0.04 0.97 0.84 3lzaA1 VAL 80 HG23 0.06 -0.01 -0.07 -0.04 0.95 0.88 3lzaA1 LEU 81 H 0.05 0.54 0.51 -0.55 8.37 8.93 3lzaA1 LEU 81 HA 0.06 0.11 0.74 -0.75 4.35 4.51 3lzaA1 LEU 81 HB2 0.06 0.02 0.08 -0.04 1.64 1.75 3lzaA1 LEU 81 HB3 0.06 -0.06 0.04 -0.04 1.64 1.63 3lzaA1 LEU 81 HG 0.03 0.08 0.07 -0.04 1.64 1.78 3lzaA1 LEU 81 HD13 0.03 -0.03 -0.05 -0.04 0.93 0.84 3lzaA1 LEU 81 HD23 0.03 -0.00 -0.00 -0.04 0.89 0.87 3lzaA1 GLU 82 H 0.11 0.43 0.35 -0.55 8.60 8.94 3lzaA1 GLU 82 HA 0.15 0.21 0.81 -0.75 4.29 4.70 3lzaA1 GLU 82 HB2 0.23 -0.11 0.04 -0.04 2.09 2.21 3lzaA1 GLU 82 HB3 0.22 0.00 -0.05 -0.04 1.99 2.12 3lzaA1 GLU 82 HG2 0.09 0.09 -0.07 -0.04 2.34 2.42 3lzaA1 GLU 82 HG3 0.10 -0.07 -0.50 -0.04 2.34 1.84 3lzaA1 PHE 83 H 0.18 0.32 0.07 -0.55 8.34 8.35 3lzaA1 PHE 83 HA 0.06 0.28 0.78 -0.75 4.62 4.99 3lzaA1 PHE 83 HB2 0.06 0.00 -0.08 -0.04 3.15 3.09 3lzaA1 PHE 83 HB3 -0.17 0.18 0.15 -0.04 3.06 3.18 3lzaA1 PHE 83 HD2 -0.16 0.13 0.07 -0.04 7.28 7.28 3lzaA1 PHE 83 HE2 0.13 -0.02 -0.17 -0.04 7.38 7.27 3lzaA1 PHE 83 HZ 0.18 -0.06 -0.15 -0.04 7.32 7.26 3lzaA1 ASP 84 H 0.06 0.54 0.32 -0.55 8.40 8.78 3lzaA1 ASP 84 HA -0.25 0.16 0.64 -0.75 4.63 4.44 3lzaA1 ASP 84 HB2 0.04 -0.08 0.01 -0.04 2.71 2.64 3lzaA1 ASP 84 HB3 -0.06 0.02 -0.05 -0.04 2.70 2.56 3lzaA1 PHE 85 H -0.14 0.25 0.06 -0.55 8.34 7.96 3lzaA1 PHE 85 HA -0.57 0.19 0.82 -0.75 4.62 4.30 3lzaA1 PHE 85 HB2 -0.64 -0.00 -0.04 -0.04 3.15 2.43 3lzaA1 PHE 85 HB3 -0.33 -0.00 0.11 -0.04 3.06 2.80 3lzaA1 PHE 85 HD2 -0.46 0.05 -0.21 -0.04 7.28 6.62 3lzaA1 PHE 85 HE2 -0.12 -0.02 -0.22 -0.04 7.38 6.98 3lzaA1 PHE 85 HZ -0.04 -0.00 -0.14 -0.04 7.32 7.09 3lzaA1 ASN 86 H -0.02 0.66 0.16 -0.55 8.53 8.78 3lzaA1 ASN 86 HA -0.16 0.06 0.64 -0.75 4.76 4.55 3lzaA1 ASN 86 HB2 -0.02 0.00 0.22 -0.04 2.88 3.05 3lzaA1 ASN 86 HB3 -0.06 0.03 0.04 -0.04 2.79 2.75 3lzaA1 ASN 86 HD21 -0.04 -0.01 -0.09 -0.04 7.03 6.85 3lzaA1 ASN 86 HD22 -0.07 0.06 -0.04 -0.04 7.74 7.65 3lzaA1 ILE 87 H -0.29 0.20 0.15 -0.55 8.25 7.76 3lzaA1 ILE 87 HA -0.51 0.15 0.55 -0.75 4.18 3.61 3lzaA1 ILE 87 HB -0.30 -0.05 0.09 -0.04 1.89 1.60 3lzaA1 ILE 87 HG12 -1.53 0.03 -0.23 -0.04 1.49 -0.28 3lzaA1 ILE 87 HG13 -0.87 0.11 -0.20 -0.04 1.21 0.21 3lzaA1 ILE 87 HG23 -0.26 0.04 -0.17 -0.04 0.93 0.50 3lzaA1 ILE 87 HD13 -0.34 -0.01 -0.08 -0.04 0.88 0.40 3lzaA1 GLU 88 H -0.11 0.64 0.55 -0.55 8.60 9.13 3lzaA1 GLU 88 HA -0.03 0.02 0.52 -0.75 4.29 4.06 3lzaA1 GLU 88 HB2 0.03 0.11 0.07 -0.04 2.09 2.27 3lzaA1 GLU 88 HB3 0.02 -0.06 0.03 -0.04 1.99 1.94 3lzaA1 GLU 88 HG2 -0.01 -0.03 -0.03 -0.04 2.34 2.22 3lzaA1 GLU 88 HG3 -0.02 0.01 0.09 -0.04 2.34 2.38 3lzaA1 HIS 89 H 0.01 0.55 0.17 -0.55 8.41 8.60 3lzaA1 HIS 89 HA -0.00 0.13 0.53 -0.75 4.63 4.54 3lzaA1 HIS 89 HB2 0.03 0.03 -0.23 -0.04 3.26 3.05 3lzaA1 HIS 89 HB3 0.08 0.00 0.03 -0.04 3.20 3.27 3lzaA1 HIS 89 HD2 0.23 -0.03 -0.06 -0.04 6.97 7.07 3lzaA1 HIS 89 HE1 0.04 -0.05 0.06 -0.04 7.75 7.76 3lzaA1 PHE 91 HA -0.11 -0.09 0.29 -0.75 4.62 3.96 3lzaA1 PHE 91 HB2 -0.02 -0.04 0.12 -0.04 3.15 3.16 3lzaA1 PHE 91 HB3 -0.11 -0.02 0.11 -0.04 3.06 3.00 3lzaA1 PHE 91 HD2 -0.16 -0.01 -0.24 -0.04 7.28 6.84 3lzaA1 PHE 91 HE2 0.06 -0.00 -0.11 -0.04 7.38 7.28 3lzaA1 PHE 91 HZ 0.04 -0.02 -0.07 -0.04 7.32 7.23 3lzaA1 ASN 92 H 0.17 0.17 0.21 -0.55 8.53 8.53 3lzaA1 ASN 92 HA 0.02 0.24 0.77 -0.75 4.76 5.04 3lzaA1 ASN 92 HB2 0.03 0.24 -0.10 -0.04 2.88 3.00 3lzaA1 ASN 92 HB3 0.00 -0.02 -0.19 -0.04 2.79 2.54 3lzaA1 ASN 92 HD21 0.03 -0.14 -0.06 -0.04 7.03 6.81 3lzaA1 ASN 92 HD22 0.04 0.45 -0.17 -0.04 7.74 8.01 3lzaA1 THR 93 H 0.06 0.59 0.19 -0.55 8.28 8.56 3lzaA1 THR 93 HA 0.06 0.09 0.74 -0.75 4.39 4.53 3lzaA1 THR 93 HB 0.07 0.00 0.16 -0.04 4.32 4.51 3lzaA1 THR 93 HG23 0.04 -0.02 -0.05 -0.04 1.22 1.16 3lzaA1 GLY 94 H 0.04 0.12 0.06 -0.55 8.43 8.10 3lzaA1 GLY 94 HA2 0.03 0.00 0.33 -0.51 4.01 3.86 3lzaA1 GLY 94 HA3 0.03 0.08 0.50 -0.51 4.01 4.11 3lzaA1 PRO 95 HA 0.10 0.05 0.42 -0.51 4.44 4.50 3lzaA1 PRO 95 HB2 0.11 0.15 0.23 -0.04 2.28 2.73 3lzaA1 PRO 95 HB3 0.10 -0.06 0.09 -0.04 2.02 2.11 3lzaA1 PRO 95 HG2 0.04 0.06 0.12 -0.04 2.03 2.20 3lzaA1 PRO 95 HG3 0.05 -0.02 0.15 -0.04 2.03 2.17 3lzaA1 PRO 95 HD2 0.04 0.16 0.28 -0.04 3.68 4.12 3lzaA1 PRO 95 HD3 0.04 0.04 0.25 -0.04 3.65 3.94 3lzaA1 LEU 96 H 0.04 0.42 -0.23 -0.55 8.37 8.05 3lzaA1 LEU 96 HA -0.02 0.21 1.01 -0.75 4.35 4.79 3lzaA1 LEU 96 HB2 0.00 -0.06 0.10 -0.04 1.64 1.64 3lzaA1 LEU 96 HB3 0.02 0.04 0.20 -0.04 1.64 1.86 3lzaA1 LEU 96 HG -0.04 0.04 -0.34 -0.04 1.64 1.26 3lzaA1 LEU 96 HD13 -0.04 0.01 -0.09 -0.04 0.93 0.77 3lzaA1 LEU 96 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.80 3lzaA1 VAL 97 H -0.04 0.69 0.45 -0.55 8.24 8.79 3lzaA1 VAL 97 HA -0.07 0.24 0.93 -0.75 4.13 4.47 3lzaA1 VAL 97 HB 0.04 -0.09 0.15 -0.04 2.12 2.19 3lzaA1 VAL 97 HG13 -0.04 0.01 -0.07 -0.04 0.97 0.83 3lzaA1 VAL 97 HG23 0.09 0.04 -0.29 -0.04 0.95 0.74 3lzaA1 VAL 98 H -0.37 0.93 0.39 -0.55 8.24 8.64 3lzaA1 VAL 98 HA -0.21 0.22 1.00 -0.75 4.13 4.38 3lzaA1 VAL 98 HB -1.67 0.08 0.10 -0.04 2.12 0.59 3lzaA1 VAL 98 HG13 -0.26 -0.00 -0.02 -0.04 0.97 0.66 3lzaA1 VAL 98 HG23 -0.23 -0.03 -0.19 -0.04 0.95 0.46 3lzaA1 ILE 100 HA 0.13 -0.05 0.49 -0.75 4.18 4.01 3lzaA1 ILE 100 HB 0.12 -0.05 0.16 -0.04 1.89 2.09 3lzaA1 ILE 100 HG12 0.12 -0.05 0.05 -0.04 1.49 1.57 3lzaA1 ILE 100 HG13 0.08 0.02 -0.11 -0.04 1.21 1.16 3lzaA1 ILE 100 HG23 0.09 -0.01 -0.03 -0.04 0.93 0.94 3lzaA1 ILE 100 HD13 0.31 -0.01 -0.06 -0.04 0.88 1.09 3lzaA1 GLY 101 H 0.19 0.57 0.38 -0.55 8.43 9.03 3lzaA1 GLY 101 HA2 0.03 -0.04 0.44 -0.51 4.01 3.94 3lzaA1 GLY 101 HA3 -0.05 0.21 0.74 -0.51 4.01 4.40 3lzaA1 ASN 102 H 0.07 0.60 0.33 -0.55 8.53 8.98 3lzaA1 ASN 102 HA 0.20 0.22 0.70 -0.75 4.76 5.13 3lzaA1 ASN 102 HB2 0.12 -0.04 -0.34 -0.04 2.88 2.58 3lzaA1 ASN 102 HB3 0.09 0.03 -0.19 -0.04 2.79 2.68 3lzaA1 ASN 102 HD21 0.03 -0.01 -0.07 -0.04 7.03 6.94 3lzaA1 ASN 102 HD22 0.04 0.02 -0.11 -0.04 7.74 7.65 3lzaA1 TYR 103 H 0.33 0.68 0.24 -0.55 8.29 9.00 3lzaA1 TYR 103 HA 0.15 0.29 1.08 -0.75 4.56 5.33 3lzaA1 TYR 103 HB2 0.08 0.02 0.14 -0.04 3.06 3.25 3lzaA1 TYR 103 HB3 0.21 0.04 -0.06 -0.04 2.98 3.13 3lzaA1 TYR 103 HD2 -0.09 0.07 -0.15 -0.04 7.15 6.95 3lzaA1 TYR 103 HE2 -0.47 -0.01 -0.19 -0.04 6.85 6.13 3lzaA1 HIS 104 H 0.22 0.42 0.28 -0.55 8.41 8.78 3lzaA1 HIS 104 HA 0.13 0.37 1.21 -0.75 4.63 5.58 3lzaA1 HIS 104 HB2 0.06 0.00 0.03 -0.04 3.26 3.31 3lzaA1 HIS 104 HB3 0.06 0.00 0.10 -0.04 3.20 3.32 3lzaA1 HIS 104 HD2 0.04 0.00 -0.17 -0.04 6.97 6.79 3lzaA1 HIS 104 HE1 0.04 -0.04 -0.21 -0.04 7.75 7.50 3lzaA1 LEU 105 H -0.45 0.58 0.28 -0.55 8.37 8.23 3lzaA1 LEU 105 HA 0.02 0.35 0.87 -0.75 4.35 4.85 3lzaA1 LEU 105 HB2 0.16 -0.02 -0.16 -0.04 1.64 1.59 3lzaA1 LEU 105 HB3 -0.09 -0.06 0.02 -0.04 1.64 1.47 3lzaA1 LEU 105 HG 0.04 0.18 0.13 -0.04 1.64 1.95 3lzaA1 LEU 105 HD13 0.01 -0.00 -0.08 -0.04 0.93 0.82 3lzaA1 LEU 105 HD23 -0.07 -0.02 -0.37 -0.04 0.89 0.40 3lzaA1 ARG 106 H -0.01 0.65 0.31 -0.55 8.46 8.86 3lzaA1 ARG 106 HA -0.09 0.38 0.97 -0.75 4.34 4.84 3lzaA1 ARG 106 HB2 0.16 -0.03 0.01 -0.04 1.90 2.00 3lzaA1 ARG 106 HB3 0.11 -0.12 0.18 -0.04 1.80 1.93 3lzaA1 ARG 106 HG2 0.04 -0.03 -0.14 -0.04 1.67 1.50 3lzaA1 ARG 106 HG3 0.04 0.16 0.05 -0.04 1.67 1.87 3lzaA1 ARG 106 HD2 0.12 -0.02 -0.04 -0.04 3.22 3.24 3lzaA1 ARG 106 HD3 0.08 -0.04 -0.06 -0.04 3.22 3.17 3lzaA1 GLY 107 H -0.04 0.55 0.25 -0.55 8.43 8.64 3lzaA1 GLY 107 HA2 0.03 0.05 0.49 -0.51 4.01 4.07 3lzaA1 GLY 107 HA3 0.05 0.10 0.46 -0.51 4.01 4.11 3lzaA1 PRO 108 HA 0.04 0.18 0.70 -0.51 4.44 4.85 3lzaA1 PRO 108 HB2 0.03 0.00 0.06 -0.04 2.28 2.34 3lzaA1 PRO 108 HB3 0.02 -0.05 0.15 -0.04 2.02 2.11 3lzaA1 PRO 108 HG2 0.01 0.08 0.11 -0.04 2.03 2.19 3lzaA1 PRO 108 HG3 0.02 0.01 0.12 -0.04 2.03 2.14 3lzaA1 PRO 108 HD2 0.03 0.17 0.08 -0.04 3.68 3.92 3lzaA1 PRO 108 HD3 0.03 0.16 0.25 -0.04 3.65 4.05 3lzaA1 GLY 109 H 0.06 0.31 0.36 -0.55 8.43 8.61 3lzaA1 GLY 109 HA2 0.29 0.17 0.33 -0.51 4.01 4.28 3lzaA1 GLY 109 HA3 0.10 0.23 0.29 -0.51 4.01 4.12 3lzaA1 GLU 110 H 0.05 0.09 -0.13 -0.55 8.60 8.07 3lzaA1 GLU 110 HA 0.02 0.00 0.15 -0.75 4.29 3.71 3lzaA1 GLU 110 HB2 -0.02 0.04 0.02 -0.04 2.09 2.08 3lzaA1 GLU 110 HB3 -0.02 0.00 -0.04 -0.04 1.99 1.89 3lzaA1 GLU 110 HG2 -0.01 0.06 0.03 -0.04 2.34 2.38 3lzaA1 GLU 110 HG3 0.01 -0.10 0.10 -0.04 2.34 2.30 3lzaA1 GLN 111 H -0.04 0.21 -0.28 -0.55 8.47 7.80 3lzaA1 GLN 111 HA -0.15 0.09 0.40 -0.75 4.36 3.94 3lzaA1 GLN 111 HB2 -0.33 0.02 0.10 -0.04 2.15 1.90 3lzaA1 GLN 111 HB3 -0.19 -0.02 0.05 -0.04 2.02 1.81 3lzaA1 GLN 111 HG2 -0.40 -0.04 -0.11 -0.04 2.40 1.81 3lzaA1 GLN 111 HG3 -1.16 0.00 -0.21 -0.04 2.39 0.98 3lzaA1 GLN 111 HE21 -0.08 0.45 0.12 -0.04 6.97 7.42 3lzaA1 GLN 111 HE22 -0.02 -0.13 -0.05 -0.04 7.69 7.45 3lzaA1 PHE 112 H 0.11 0.33 -0.45 -0.55 8.34 7.77 3lzaA1 PHE 112 HA -0.02 0.18 0.79 -0.75 4.62 4.82 3lzaA1 PHE 112 HB2 -0.01 0.02 0.04 -0.04 3.15 3.16 3lzaA1 PHE 112 HB3 0.00 0.00 0.15 -0.04 3.06 3.17 3lzaA1 PHE 112 HD2 -0.01 -0.00 -0.04 -0.04 7.28 7.19 3lzaA1 PHE 112 HE2 -0.01 0.03 -0.10 -0.04 7.38 7.26 3lzaA1 PHE 112 HZ -0.04 0.01 -0.11 -0.04 7.32 7.14 3lzaA1 GLY 113 H 0.02 0.33 -0.19 -0.55 8.43 8.05 3lzaA1 GLY 113 HA2 0.02 -0.01 0.30 -0.51 4.01 3.81 3lzaA1 GLY 113 HA3 0.04 0.09 0.49 -0.51 4.01 4.13 3lzaA1 LYS 114 H 0.08 0.39 -0.32 -0.55 8.42 8.02 3lzaA1 LYS 114 HA 0.04 0.27 0.80 -0.75 4.32 4.67 3lzaA1 LYS 114 HB2 0.07 -0.16 0.04 -0.04 1.87 1.78 3lzaA1 LYS 114 HB3 0.03 -0.01 -0.01 -0.04 1.79 1.76 3lzaA1 LYS 114 HG2 0.08 0.08 -0.60 -0.04 1.46 0.98 3lzaA1 LYS 114 HG3 0.05 -0.07 -0.11 -0.04 1.46 1.28 3lzaA1 LYS 114 HD2 0.02 -0.10 -0.04 -0.04 1.69 1.54 3lzaA1 LYS 114 HD3 0.03 0.04 -0.07 -0.04 1.68 1.64 3lzaA1 LYS 114 HE2 0.04 -0.03 -0.11 -0.04 2.99 2.85 3lzaA1 LYS 114 HE3 0.03 0.01 -0.06 -0.04 2.99 2.93 3lzaA1 PRO 115 HA 0.02 -0.16 0.48 -0.51 4.44 4.27 3lzaA1 PRO 115 HB2 0.01 0.07 -0.09 -0.04 2.28 2.23 3lzaA1 PRO 115 HB3 0.01 -0.02 0.09 -0.04 2.02 2.05 3lzaA1 PRO 115 HG2 0.01 0.07 0.00 -0.04 2.03 2.08 3lzaA1 PRO 115 HG3 0.01 0.05 0.01 -0.04 2.03 2.05 3lzaA1 PRO 115 HD2 0.02 0.21 0.04 -0.04 3.68 3.91 3lzaA1 PRO 115 HD3 0.02 0.14 -0.38 -0.04 3.65 3.39 3lzaA1 GLY 116 H 0.02 0.05 0.22 -0.55 8.43 8.16 3lzaA1 GLY 116 HA2 0.01 -0.01 0.34 -0.51 4.01 3.84 3lzaA1 GLY 116 HA3 0.01 0.14 0.43 -0.51 4.01 4.08 3lzaA1 LYS 117 H 0.02 0.13 -0.08 -0.55 8.42 7.94 3lzaA1 LYS 117 HA 0.01 0.16 0.82 -0.75 4.32 4.55 3lzaA1 LYS 117 HB2 0.02 0.09 -0.13 -0.04 1.87 1.82 3lzaA1 LYS 117 HB3 0.01 0.04 -0.10 -0.04 1.79 1.70 3lzaA1 LYS 117 HG2 0.01 0.01 -0.10 -0.04 1.46 1.34 3lzaA1 LYS 117 HG3 0.01 0.05 -0.49 -0.04 1.46 0.99 3lzaA1 LYS 117 HD2 0.02 0.03 -0.13 -0.04 1.69 1.56 3lzaA1 LYS 117 HD3 0.01 -0.07 -0.08 -0.04 1.68 1.51 3lzaA1 LYS 117 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.89 3lzaA1 LYS 117 HE3 0.01 -0.00 -0.07 -0.04 2.99 2.89 3lzaA1 ILE 118 H 0.01 0.21 0.11 -0.55 8.25 8.04 3lzaA1 ILE 118 HA 0.02 0.15 0.70 -0.75 4.18 4.29 3lzaA1 ILE 118 HB 0.01 -0.01 0.13 -0.04 1.89 1.98 3lzaA1 ILE 118 HG12 0.01 -0.07 -0.10 -0.04 1.49 1.29 3lzaA1 ILE 118 HG13 0.02 0.02 -0.03 -0.04 1.21 1.17 3lzaA1 ILE 118 HG23 0.02 0.01 -0.15 -0.04 0.93 0.76 3lzaA1 ILE 118 HD13 0.02 0.00 -0.12 -0.04 0.88 0.74 3lzaA1 ILE 119 H -0.02 0.59 0.18 -0.55 8.25 8.45 3lzaA1 ILE 119 HA -0.04 0.15 0.70 -0.75 4.18 4.23 3lzaA1 ILE 119 HB -0.18 -0.01 0.01 -0.04 1.89 1.67 3lzaA1 ILE 119 HG12 -0.35 -0.02 -0.08 -0.04 1.49 1.01 3lzaA1 ILE 119 HG13 -0.11 0.18 -0.05 -0.04 1.21 1.20 3lzaA1 ILE 119 HG23 -0.02 0.01 -0.09 -0.04 0.93 0.79 3lzaA1 ILE 119 HD13 -0.58 -0.02 -0.29 -0.04 0.88 -0.05 3lzaA1 ASP 120 H -0.07 0.25 0.11 -0.55 8.40 8.15 3lzaA1 ASP 120 HA -0.10 0.29 0.88 -0.75 4.63 4.95 3lzaA1 ASP 120 HB2 0.03 0.02 -0.21 -0.04 2.71 2.51 3lzaA1 ASP 120 HB3 0.04 -0.01 0.09 -0.04 2.70 2.78 3lzaA1 ILE 121 H -0.23 0.59 0.32 -0.55 8.25 8.38 3lzaA1 ILE 121 HA -0.01 0.21 0.95 -0.75 4.18 4.58 3lzaA1 ILE 121 HB -0.03 0.01 -0.07 -0.04 1.89 1.76 3lzaA1 ILE 121 HG12 -0.25 0.09 0.03 -0.04 1.49 1.32 3lzaA1 ILE 121 HG13 -0.09 -0.08 -0.08 -0.04 1.21 0.92 3lzaA1 ILE 121 HG23 -0.13 -0.01 -0.27 -0.04 0.93 0.49 3lzaA1 ILE 121 HD13 -0.28 0.01 -0.12 -0.04 0.88 0.45 3lzaA1 ALA 122 H 0.05 0.29 0.08 -0.55 8.40 8.28 3lzaA1 ALA 122 HA 0.16 0.18 0.82 -0.75 4.34 4.75 3lzaA1 ALA 122 HB3 0.12 0.01 0.00 -0.04 1.41 1.50 3lzaA1 ILE 123 H 0.15 0.73 0.21 -0.55 8.25 8.79 3lzaA1 ILE 123 HA 0.06 0.00 0.75 -0.75 4.18 4.23 3lzaA1 ILE 123 HB 0.13 -0.12 0.13 -0.04 1.89 1.98 3lzaA1 ILE 123 HG12 0.06 0.00 -0.18 -0.04 1.49 1.32 3lzaA1 ILE 123 HG13 0.09 0.02 -0.12 -0.04 1.21 1.16 3lzaA1 ILE 123 HG23 -0.07 -0.04 -0.17 -0.04 0.93 0.62 3lzaA1 ILE 123 HD13 0.09 -0.00 -0.12 -0.04 0.88 0.80 3lzaA1 PRO 124 HA 0.11 0.18 0.78 -0.51 4.44 5.00 3lzaA1 PRO 124 HB2 0.03 -0.01 0.16 -0.04 2.28 2.42 3lzaA1 PRO 124 HB3 0.05 0.04 0.16 -0.04 2.02 2.24 3lzaA1 PRO 124 HG2 0.04 -0.00 0.16 -0.04 2.03 2.18 3lzaA1 PRO 124 HG3 0.05 0.04 0.11 -0.04 2.03 2.19 3lzaA1 PRO 124 HD2 0.03 0.11 0.37 -0.04 3.68 4.15 3lzaA1 PRO 124 HD3 0.05 0.28 0.29 -0.04 3.65 4.23 3lzaA1 GLY 125 H 0.16 0.66 0.44 -0.55 8.43 9.14 3lzaA1 GLY 125 HA2 0.04 0.23 0.84 -0.51 4.01 4.60 3lzaA1 GLY 125 HA3 0.11 -0.04 0.32 -0.51 4.01 3.90 3lzaA1 VAL 126 H 0.04 0.61 0.31 -0.55 8.24 8.65 3lzaA1 VAL 126 HA 0.15 0.17 0.83 -0.75 4.13 4.52 3lzaA1 VAL 126 HB 0.03 -0.07 0.17 -0.04 2.12 2.21 3lzaA1 VAL 126 HG13 0.03 0.02 -0.07 -0.04 0.97 0.91 3lzaA1 VAL 126 HG23 0.08 0.01 -0.03 -0.04 0.95 0.96 3lzaA1 THR 127 H 0.16 0.30 0.17 -0.55 8.28 8.37 3lzaA1 THR 127 HA -0.01 0.31 1.06 -0.75 4.39 5.00 3lzaA1 THR 127 HB 0.18 0.02 0.03 -0.04 4.32 4.51 3lzaA1 THR 127 HG23 0.01 -0.01 -0.19 -0.04 1.22 0.99 3lzaA1 THR 128 H -0.06 0.54 0.39 -0.55 8.28 8.61 3lzaA1 THR 128 HA -0.08 0.46 1.19 -0.75 4.39 5.20 3lzaA1 THR 128 HB -0.08 0.05 0.06 -0.04 4.32 4.31 3lzaA1 THR 128 HG23 -0.06 -0.00 -0.08 -0.04 1.22 1.04 3lzaA1 LEU 129 H -0.12 0.63 0.38 -0.55 8.37 8.72 3lzaA1 LEU 129 HA -0.35 0.18 0.98 -0.75 4.35 4.40 3lzaA1 LEU 129 HB2 -0.12 -0.00 0.15 -0.04 1.64 1.62 3lzaA1 LEU 129 HB3 -0.81 -0.02 0.03 -0.04 1.64 0.79 3lzaA1 LEU 129 HG -0.11 -0.00 -0.35 -0.04 1.64 1.13 3lzaA1 LEU 129 HD13 -0.02 -0.01 -0.04 -0.04 0.93 0.82 3lzaA1 LEU 129 HD23 -0.44 0.02 -0.00 -0.04 0.89 0.43 3lzaA1 LYS 130 H -0.36 0.63 0.33 -0.55 8.42 8.46 3lzaA1 LYS 130 HA -0.12 0.41 1.07 -0.75 4.32 4.93 3lzaA1 LYS 130 HB2 -0.09 0.00 0.02 -0.04 1.87 1.77 3lzaA1 LYS 130 HB3 -0.12 -0.07 0.24 -0.04 1.79 1.79 3lzaA1 LYS 130 HG2 -0.04 -0.05 -0.24 -0.04 1.46 1.09 3lzaA1 LYS 130 HG3 -0.02 0.05 -0.08 -0.04 1.46 1.37 3lzaA1 LYS 130 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.60 3lzaA1 LYS 130 HD3 -0.02 0.01 -0.03 -0.04 1.68 1.60 3lzaA1 LYS 130 HE2 -0.04 0.00 -0.02 -0.04 2.99 2.89 3lzaA1 LYS 130 HE3 -0.03 -0.06 -0.05 -0.04 2.99 2.82 3lzaA1 PHE 131 H 0.10 0.52 0.20 -0.55 8.34 8.61 3lzaA1 PHE 131 HA 0.01 0.14 0.80 -0.75 4.62 4.81 3lzaA1 PHE 131 HB2 0.00 -0.03 -0.01 -0.04 3.15 3.07 3lzaA1 PHE 131 HB3 0.03 0.03 -0.16 -0.04 3.06 2.92 3lzaA1 PHE 131 HD2 0.02 0.11 -0.31 -0.04 7.28 7.05 3lzaA1 PHE 131 HE2 -0.10 0.03 -0.10 -0.04 7.38 7.17 3lzaA1 PHE 131 HZ -0.32 0.00 -0.14 -0.04 7.32 6.82 3lzaA1 ASP 132 H 0.16 0.68 0.25 -0.55 8.40 8.95 3lzaA1 ASP 132 HA 0.07 0.18 0.78 -0.75 4.63 4.91 3lzaA1 ASP 132 HB2 0.06 0.09 0.10 -0.04 2.71 2.93 3lzaA1 ASP 132 HB3 0.09 -0.04 0.21 -0.04 2.70 2.92 3lzaA1 PRO 133 HA 0.06 0.11 0.23 -0.51 4.44 4.33 3lzaA1 PRO 133 HB2 0.03 0.05 0.03 -0.04 2.28 2.35 3lzaA1 PRO 133 HB3 0.04 0.02 0.08 -0.04 2.02 2.12 3lzaA1 PRO 133 HG2 0.03 0.03 0.06 -0.04 2.03 2.11 3lzaA1 PRO 133 HG3 0.04 0.06 0.10 -0.04 2.03 2.18 3lzaA1 PRO 133 HD2 0.04 0.05 0.24 -0.04 3.68 3.97 3lzaA1 PRO 133 HD3 0.06 0.31 0.28 -0.04 3.65 4.26 3lzaA1 ASN 134 H 0.04 0.03 -0.33 -0.55 8.53 7.72 3lzaA1 ASN 134 HA 0.02 0.24 0.79 -0.75 4.76 5.05 3lzaA1 ASN 134 HB2 0.03 -0.05 0.05 -0.04 2.88 2.87 3lzaA1 ASN 134 HB3 0.02 0.02 -0.04 -0.04 2.79 2.76 3lzaA1 ASN 134 HD21 0.01 0.01 0.01 -0.04 7.03 7.02 3lzaA1 ASN 134 HD22 0.02 -0.01 -0.02 -0.04 7.74 7.69 3lzaA1 THR 135 H 0.05 0.04 -0.09 -0.55 8.28 7.74 3lzaA1 THR 135 HA 0.02 0.27 0.90 -0.75 4.39 4.82 3lzaA1 THR 135 HB 0.04 0.07 0.09 -0.04 4.32 4.48 3lzaA1 THR 135 HG23 0.04 -0.01 -0.08 -0.04 1.22 1.12 3lzaA1 GLN 136 H 0.06 0.33 -0.01 -0.55 8.47 8.31 3lzaA1 GLN 136 HA 0.07 0.01 0.25 -0.75 4.36 3.93 3lzaA1 GLN 136 HB2 -0.02 0.20 0.07 -0.04 2.15 2.37 3lzaA1 GLN 136 HB3 -0.04 -0.06 0.15 -0.04 2.02 2.02 3lzaA1 GLN 136 HG2 -0.01 0.02 -0.10 -0.04 2.40 2.26 3lzaA1 GLN 136 HG3 -0.01 0.04 -0.37 -0.04 2.39 2.01 3lzaA1 GLN 136 HE21 -0.05 -0.04 -0.05 -0.04 6.97 6.79 3lzaA1 GLN 136 HE22 -0.05 -0.00 -0.06 -0.04 7.69 7.55 3lzaA1 ARG 137 H 0.14 -0.10 -0.34 -0.55 8.46 7.61 3lzaA1 ARG 137 HA 0.28 0.29 0.91 -0.75 4.34 5.08 3lzaA1 ARG 137 HB2 0.13 -0.17 -0.07 -0.04 1.90 1.74 3lzaA1 ARG 137 HB3 0.18 0.06 -0.11 -0.04 1.80 1.89 3lzaA1 ARG 137 HG2 0.07 0.19 -0.26 -0.04 1.67 1.63 3lzaA1 ARG 137 HG3 0.08 -0.13 -0.10 -0.04 1.67 1.48 3lzaA1 ARG 137 HD2 0.10 -0.18 -0.32 -0.04 3.22 2.78 3lzaA1 ARG 137 HD3 0.11 0.12 -0.40 -0.04 3.22 3.01 3lzaA1 LEU 138 H 0.30 0.89 0.33 -0.55 8.37 9.34 3lzaA1 LEU 138 HA -0.22 0.04 0.50 -0.75 4.35 3.91 3lzaA1 LEU 138 HB2 -0.05 0.03 0.03 -0.04 1.64 1.60 3lzaA1 LEU 138 HB3 0.27 -0.03 0.06 -0.04 1.64 1.90 3lzaA1 LEU 138 HG -0.18 -0.04 -0.39 -0.04 1.64 0.99 3lzaA1 LEU 138 HD13 -0.90 0.02 -0.15 -0.04 0.93 -0.14 3lzaA1 LEU 138 HD23 0.08 -0.02 -0.20 -0.04 0.89 0.71 3lzaA1 THR 139 H -0.14 0.79 0.48 -0.55 8.28 8.87 3lzaA1 THR 139 HA 0.01 0.05 0.74 -0.75 4.39 4.44 3lzaA1 THR 139 HB -0.05 0.12 0.13 -0.04 4.32 4.48 3lzaA1 THR 139 HG23 -0.02 -0.01 -0.09 -0.04 1.22 1.06 3lzaA1 GLU 140 H -0.16 0.34 0.31 -0.55 8.60 8.54 3lzaA1 GLU 140 HA -0.05 0.29 0.93 -0.75 4.29 4.71 3lzaA1 GLU 140 HB2 -0.04 0.03 -0.19 -0.04 2.09 1.85 3lzaA1 GLU 140 HB3 -0.06 -0.07 0.02 -0.04 1.99 1.84 3lzaA1 GLU 140 HG2 -0.00 0.02 -0.39 -0.04 2.34 1.92 3lzaA1 GLU 140 HG3 0.01 0.03 0.02 -0.04 2.34 2.36 3lzaA1 GLN 141 H -0.10 0.71 0.43 -0.55 8.47 8.96 3lzaA1 GLN 141 HA -0.23 0.34 1.05 -0.75 4.36 4.77 3lzaA1 GLN 141 HB2 -0.33 -0.03 0.10 -0.04 2.15 1.85 3lzaA1 GLN 141 HB3 -0.48 -0.08 0.24 -0.04 2.02 1.66 3lzaA1 GLN 141 HG2 -0.47 -0.07 -0.32 -0.04 2.40 1.50 3lzaA1 GLN 141 HG3 -0.26 0.17 0.02 -0.04 2.39 2.28 3lzaA1 GLN 141 HE21 0.04 0.01 -0.13 -0.04 6.97 6.85 3lzaA1 GLN 141 HE22 -0.17 -0.00 -0.16 -0.04 7.69 7.32 3lzaA1 VAL 142 H -0.12 0.63 0.32 -0.55 8.24 8.52 3lzaA1 VAL 142 HA -0.04 0.35 1.16 -0.75 4.13 4.84 3lzaA1 VAL 142 HB -0.04 -0.05 0.13 -0.04 2.12 2.12 3lzaA1 VAL 142 HG13 -0.15 0.00 -0.05 -0.04 0.97 0.73 3lzaA1 VAL 142 HG23 0.09 0.00 -0.16 -0.04 0.95 0.83 3lzaA1 ASP 143 H -0.07 0.64 0.46 -0.55 8.40 8.88 3lzaA1 ASP 143 HA -0.05 0.29 1.17 -0.75 4.63 5.29 3lzaA1 ASP 143 HB2 0.07 -0.06 0.16 -0.04 2.71 2.83 3lzaA1 ASP 143 HB3 -0.03 0.01 -0.00 -0.04 2.70 2.63 3lzaA1 LEU 144 H -0.03 0.84 0.34 -0.55 8.37 8.96 3lzaA1 LEU 144 HA -0.06 0.01 0.68 -0.75 4.35 4.23 3lzaA1 LEU 144 HB2 -0.01 0.03 0.21 -0.04 1.64 1.83 3lzaA1 LEU 144 HB3 -0.02 0.03 0.13 -0.04 1.64 1.74 3lzaA1 LEU 144 HG -0.05 -0.02 -0.27 -0.04 1.64 1.25 3lzaA1 LEU 144 HD13 -0.00 0.01 -0.03 -0.04 0.93 0.87 3lzaA1 LEU 144 HD23 -0.05 -0.02 0.02 -0.04 0.89 0.81 3lzaA1 ASP 146 HA -0.06 -0.12 0.28 -0.75 4.63 3.98 3lzaA1 ASP 146 HB2 -0.01 0.03 0.11 -0.04 2.71 2.79 3lzaA1 ASP 146 HB3 -0.02 0.06 0.31 -0.04 2.70 3.02 3lzaA1 TYR 147 H -0.06 0.10 0.16 -0.55 8.29 7.94 3lzaA1 TYR 147 HA 0.04 0.14 0.48 -0.75 4.56 4.47 3lzaA1 TYR 147 HB2 0.02 -0.03 0.11 -0.04 3.06 3.12 3lzaA1 TYR 147 HB3 0.03 0.06 0.07 -0.04 2.98 3.11 3lzaA1 TYR 147 HD2 0.03 0.04 -0.02 -0.04 7.15 7.16 3lzaA1 TYR 147 HE2 0.03 -0.08 -0.10 -0.04 6.85 6.66 3lzaA1 GLN 148 H 0.10 0.01 -0.12 -0.55 8.47 7.92 3lzaA1 GLN 148 HA 0.08 0.14 0.56 -0.75 4.36 4.39 3lzaA1 GLN 148 HB2 0.06 -0.02 0.09 -0.04 2.15 2.24 3lzaA1 GLN 148 HB3 0.05 -0.03 0.03 -0.04 2.02 2.03 3lzaA1 GLN 148 HG2 0.04 -0.01 -0.02 -0.04 2.40 2.36 3lzaA1 GLN 148 HG3 0.04 0.00 -0.11 -0.04 2.39 2.28 3lzaA1 GLN 148 HE21 0.04 0.03 -0.01 -0.04 6.97 6.98 3lzaA1 GLN 148 HE22 0.04 -0.03 0.01 -0.04 7.69 7.67 3lzaA1 THR 149 H 0.04 0.12 -0.26 -0.55 8.28 7.64 3lzaA1 THR 149 HA 0.04 0.02 0.34 -0.75 4.39 4.03 3lzaA1 THR 149 HB 0.03 0.24 0.24 -0.04 4.32 4.78 3lzaA1 THR 149 HG23 0.04 -0.01 0.18 -0.04 1.22 1.39 3lzaA1 SER 151 HA 0.07 -0.07 0.36 -0.75 4.49 4.10 3lzaA1 SER 151 HB2 0.07 0.03 0.15 -0.04 3.95 4.16 3lzaA1 SER 151 HB3 0.06 0.05 0.12 -0.04 3.93 4.11 3lzaA1 ASP 152 H 0.05 0.69 -0.59 -0.55 8.40 8.00 3lzaA1 ASP 152 HA 0.03 -0.02 0.43 -0.75 4.63 4.31 3lzaA1 ASP 152 HB2 0.03 0.11 0.17 -0.04 2.71 2.98 3lzaA1 ASP 152 HB3 0.03 -0.07 -0.00 -0.04 2.70 2.60 3lzaA1 GLN 153 H 0.03 0.61 0.26 -0.55 8.47 8.82 3lzaA1 GLN 153 HA 0.02 0.04 0.61 -0.75 4.36 4.27 3lzaA1 GLN 153 HB2 0.01 0.02 0.10 -0.04 2.15 2.25 3lzaA1 GLN 153 HB3 0.00 0.02 0.04 -0.04 2.02 2.04 3lzaA1 GLN 153 HG2 0.02 -0.03 0.11 -0.04 2.40 2.46 3lzaA1 GLN 153 HG3 0.03 0.08 0.15 -0.04 2.39 2.61 3lzaA1 GLN 153 HE21 0.05 0.47 0.27 -0.04 6.97 7.72 3lzaA1 GLN 153 HE22 0.04 -0.04 0.14 -0.04 7.69 7.79 3lzaA1 LEU 154 H 0.02 0.16 -0.15 -0.55 8.37 7.85 3lzaA1 LEU 154 HA -0.01 -0.01 0.47 -0.75 4.35 4.05 3lzaA1 LEU 154 HB2 0.04 0.10 0.12 -0.04 1.64 1.87 3lzaA1 LEU 154 HB3 0.04 0.07 0.03 -0.04 1.64 1.74 3lzaA1 LEU 154 HG -0.02 -0.07 -0.02 -0.04 1.64 1.50 3lzaA1 LEU 154 HD13 0.13 0.05 0.03 -0.04 0.93 1.10 3lzaA1 LEU 154 HD23 -0.12 -0.01 -0.04 -0.04 0.89 0.69 3lzaA1 GLN 155 H 0.02 0.49 -0.20 -0.55 8.47 8.24 3lzaA1 GLN 155 HA 0.02 0.04 0.41 -0.75 4.36 4.08 3lzaA1 GLN 155 HB2 0.02 0.12 0.13 -0.04 2.15 2.39 3lzaA1 GLN 155 HB3 0.02 -0.08 0.02 -0.04 2.02 1.94 3lzaA1 GLN 155 HG2 0.02 -0.06 0.04 -0.04 2.40 2.36 3lzaA1 GLN 155 HG3 0.03 0.18 0.06 -0.04 2.39 2.62 3lzaA1 GLN 155 HE21 0.02 -0.08 -0.08 -0.04 6.97 6.80 3lzaA1 GLN 155 HE22 0.03 0.04 -0.15 -0.04 7.69 7.57 3lzaA1 SER 156 H 0.01 0.32 -0.32 -0.55 8.46 7.92 3lzaA1 SER 156 HA 0.01 0.05 0.66 -0.75 4.49 4.46 3lzaA1 SER 156 HB2 0.01 -0.11 0.15 -0.04 3.95 3.97 3lzaA1 SER 156 HB3 0.01 -0.03 0.12 -0.04 3.93 3.99 3lzaA1 GLN 157 H 0.01 0.39 -0.44 -0.55 8.47 7.89 3lzaA1 GLN 157 HA 0.01 0.15 0.67 -0.75 4.36 4.43 3lzaA1 GLN 157 HB2 -0.00 0.08 0.10 -0.04 2.15 2.29 3lzaA1 GLN 157 HB3 -0.00 -0.06 0.04 -0.04 2.02 1.96 3lzaA1 GLN 157 HG2 0.00 -0.02 -0.07 -0.04 2.40 2.27 3lzaA1 GLN 157 HG3 0.00 0.17 -0.11 -0.04 2.39 2.41 3lzaA1 GLN 157 HE21 -0.04 0.20 -0.02 -0.04 6.97 7.07 3lzaA1 GLN 157 HE22 -0.01 0.09 -0.15 -0.04 7.69 7.58