============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 4 0.900 -11.542 -30.213 8.745 -99.200 -91.000 PHE 12 1.000 -2.158 -38.709 9.654 -99.200 -91.000 TYR 32 0.840 -3.499 -54.758 0.781 -99.200 -91.000 TYR 48 0.840 -6.891 -47.529 11.159 -99.200 -91.000 TYR 52 0.840 3.983 -53.016 1.362 -99.200 -91.000 HIS 62 0.900 -10.330 -39.327 -0.918 -99.200 -91.000 TYR 72 0.840 -10.396 -35.212 5.495 -99.200 -91.000 TYR 77 0.840 0.410 -32.619 0.077 -99.200 -91.000 TYR 80 0.840 -1.482 -33.694 11.080 -99.200 -91.000 HIS 99 0.900 -13.550 -52.874 -22.414 -99.200 -91.000 PHE 106 1.000 -7.418 -40.850 -12.950 -99.200 -91.000 PHE 120 1.000 -2.833 -20.786 -13.205 -99.200 -91.000 HIS 123 0.900 -5.739 -16.440 -16.612 -99.200 -91.000 TYR 125 0.840 -2.539 -25.511 -11.271 -99.200 -91.000 PHE 131 1.000 8.064 -37.879 -15.348 -99.200 -91.000 PHE 154 1.000 -14.646 -34.091 -15.843 -99.200 -91.000 PHE 159 1.000 -22.056 -41.517 -8.802 -99.200 -91.000 TYR 160 0.840 -26.603 -39.988 -8.855 -99.200 -91.000 PHE 173 1.000 -11.451 -33.182 -27.113 -99.200 -91.000 HIS 174 0.900 -9.461 -41.362 -27.694 -99.200 -91.000 PHE 175 1.000 -10.758 -35.658 -20.433 -99.200 -91.000 PHE 186 1.000 -3.387 -35.426 -9.583 -99.200 -91.000 TYR 192 0.840 0.662 -26.438 1.545 -99.200 -91.000 HIS 205 0.900 -17.404 -47.375 -20.371 -99.200 -91.000 HIS 208 0.900 -19.843 -50.144 -22.452 -99.200 -91.000 HIS 209 0.900 -23.800 -52.382 -14.939 -99.200 -91.000 PHE 216 1.000 -9.491 -51.827 -3.455 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1z34A1 ALA 1 HA 0.02 -0.11 0.21 -0.75 4.34 3.71 1z34A1 ALA 1 HB3 0.08 -0.03 0.04 -0.04 1.41 1.46 1z34A1 THR 2 H 0.13 0.64 0.28 -0.55 8.28 8.78 1z34A1 THR 2 HA 0.03 0.24 0.94 -0.75 4.39 4.84 1z34A1 THR 2 HB 0.10 -0.00 0.13 -0.04 4.32 4.51 1z34A1 THR 2 HG23 0.12 0.04 -0.15 -0.04 1.22 1.18 1z34A1 PRO 3 HA -0.14 0.12 0.40 -0.51 4.44 4.31 1z34A1 PRO 3 HB2 -0.71 -0.01 -0.01 -0.04 2.28 1.52 1z34A1 PRO 3 HB3 -0.27 0.02 0.09 -0.04 2.02 1.82 1z34A1 PRO 3 HG2 -0.04 0.03 0.06 -0.04 2.03 2.04 1z34A1 PRO 3 HG3 -0.07 0.07 0.05 -0.04 2.03 2.05 1z34A1 PRO 3 HD2 0.05 0.07 0.18 -0.04 3.68 3.94 1z34A1 PRO 3 HD3 0.00 0.22 0.22 -0.04 3.65 4.05 1z34A1 HIS 4 H 0.05 0.06 -0.45 -0.55 8.41 7.53 1z34A1 HIS 4 HA 0.04 0.20 0.86 -0.75 4.63 4.98 1z34A1 HIS 4 HB2 -0.07 0.03 -0.10 -0.04 3.26 3.07 1z34A1 HIS 4 HB3 -0.01 -0.00 0.05 -0.04 3.20 3.20 1z34A1 HIS 4 HD2 -0.09 -0.00 -0.10 -0.04 6.97 6.74 1z34A1 HIS 4 HE1 -0.08 0.03 -0.05 -0.04 7.75 7.61 1z34A1 ASN 5 H 0.11 0.46 -0.22 -0.55 8.53 8.33 1z34A1 ASN 5 HA 0.13 -0.04 0.76 -0.75 4.76 4.85 1z34A1 ASN 5 HB2 0.16 -0.02 -0.34 -0.04 2.88 2.64 1z34A1 ASN 5 HB3 0.30 0.07 0.02 -0.04 2.79 3.13 1z34A1 ASN 5 HD21 -0.49 0.02 -0.12 -0.04 7.03 6.40 1z34A1 ASN 5 HD22 -0.30 0.00 -0.14 -0.04 7.74 7.26 1z34A1 SER 6 H 0.08 -0.05 0.18 -0.55 8.46 8.12 1z34A1 SER 6 HA 0.08 0.32 0.70 -0.75 4.49 4.83 1z34A1 SER 6 HB2 0.03 0.07 0.12 -0.04 3.95 4.12 1z34A1 SER 6 HB3 0.03 -0.06 0.07 -0.04 3.93 3.93 1z34A1 ALA 7 H 0.12 -0.16 -0.10 -0.55 8.40 7.72 1z34A1 ALA 7 HA 0.06 0.09 0.50 -0.75 4.34 4.24 1z34A1 ALA 7 HB3 0.01 0.08 0.04 -0.04 1.41 1.51 1z34A1 GLN 8 H 0.14 0.12 0.17 -0.55 8.47 8.36 1z34A1 GLN 8 HA 0.19 0.24 0.87 -0.75 4.36 4.91 1z34A1 GLN 8 HB2 0.06 0.01 0.10 -0.04 2.15 2.28 1z34A1 GLN 8 HB3 0.07 0.07 0.01 -0.04 2.02 2.13 1z34A1 GLN 8 HG2 0.06 -0.08 0.08 -0.04 2.40 2.42 1z34A1 GLN 8 HG3 0.07 0.08 -0.12 -0.04 2.39 2.37 1z34A1 GLN 8 HE21 0.02 -0.03 -0.00 -0.04 6.97 6.92 1z34A1 GLN 8 HE22 0.02 -0.01 0.01 -0.04 7.69 7.67 1z34A1 VAL 9 H 0.01 0.15 0.11 -0.55 8.24 7.96 1z34A1 VAL 9 HA 0.19 0.02 0.39 -0.75 4.13 3.97 1z34A1 VAL 9 HB 0.02 -0.05 0.11 -0.04 2.12 2.16 1z34A1 VAL 9 HG13 0.03 0.03 -0.03 -0.04 0.97 0.95 1z34A1 VAL 9 HG23 -0.11 0.04 0.12 -0.04 0.95 0.95 1z34A1 GLY 10 H 0.22 0.18 0.21 -0.55 8.43 8.49 1z34A1 GLY 10 HA2 0.09 0.07 0.35 -0.51 4.01 4.00 1z34A1 GLY 10 HA3 0.07 0.16 0.82 -0.51 4.01 4.55 1z34A1 ASP 11 H 0.15 0.56 -0.02 -0.55 8.40 8.55 1z34A1 ASP 11 HA -0.05 0.09 0.46 -0.75 4.63 4.37 1z34A1 ASP 11 HB2 -0.03 0.04 0.10 -0.04 2.71 2.79 1z34A1 ASP 11 HB3 -0.28 -0.05 0.05 -0.04 2.70 2.37 1z34A1 PHE 12 H 0.23 0.02 -0.17 -0.55 8.34 7.87 1z34A1 PHE 12 HA -0.03 0.10 0.77 -0.75 4.62 4.71 1z34A1 PHE 12 HB2 -0.00 -0.01 0.01 -0.04 3.15 3.10 1z34A1 PHE 12 HB3 -0.04 0.16 -0.10 -0.04 3.06 3.04 1z34A1 PHE 12 HD2 -0.30 0.01 -0.12 -0.04 7.28 6.83 1z34A1 PHE 12 HE2 -0.35 -0.04 -0.16 -0.04 7.38 6.79 1z34A1 PHE 12 HZ -0.21 -0.10 -0.13 -0.04 7.32 6.84 1z34A1 ALA 13 H 0.13 0.04 0.03 -0.55 8.40 8.05 1z34A1 ALA 13 HA 0.08 0.13 0.39 -0.75 4.34 4.19 1z34A1 ALA 13 HB3 0.07 0.06 -0.11 -0.04 1.41 1.39 1z34A1 GLU 14 H 0.07 0.19 0.14 -0.55 8.60 8.45 1z34A1 GLU 14 HA 0.09 0.18 0.52 -0.75 4.29 4.32 1z34A1 GLU 14 HB2 0.07 -0.04 0.22 -0.04 2.09 2.29 1z34A1 GLU 14 HB3 0.07 0.08 0.15 -0.04 1.99 2.24 1z34A1 GLU 14 HG2 0.05 0.02 0.11 -0.04 2.34 2.48 1z34A1 GLU 14 HG3 0.05 0.03 -0.14 -0.04 2.34 2.24 1z34A1 THR 15 H 0.06 0.11 -0.30 -0.55 8.28 7.61 1z34A1 THR 15 HA 0.05 0.26 1.04 -0.75 4.39 4.98 1z34A1 THR 15 HB 0.04 0.04 0.14 -0.04 4.32 4.49 1z34A1 THR 15 HG23 0.01 -0.02 -0.16 -0.04 1.22 1.01 1z34A1 VAL 16 H 0.02 0.70 0.32 -0.55 8.24 8.73 1z34A1 VAL 16 HA 0.04 0.27 1.11 -0.75 4.13 4.79 1z34A1 VAL 16 HB -0.06 -0.07 0.00 -0.04 2.12 1.95 1z34A1 VAL 16 HG13 -0.01 -0.02 -0.36 -0.04 0.97 0.54 1z34A1 VAL 16 HG23 0.01 -0.01 -0.30 -0.04 0.95 0.61 1z34A1 LEU 17 H 0.01 0.80 0.40 -0.55 8.37 9.03 1z34A1 LEU 17 HA -0.02 0.20 0.92 -0.75 4.35 4.69 1z34A1 LEU 17 HB2 -0.03 -0.02 0.19 -0.04 1.64 1.74 1z34A1 LEU 17 HB3 -0.06 -0.04 0.02 -0.04 1.64 1.52 1z34A1 LEU 17 HG -0.05 0.06 -0.08 -0.04 1.64 1.53 1z34A1 LEU 17 HD13 -0.16 -0.01 -0.13 -0.04 0.93 0.59 1z34A1 LEU 17 HD23 -0.07 0.00 -0.15 -0.04 0.89 0.63 1z34A1 MET 18 H 0.02 0.60 0.37 -0.55 8.47 8.91 1z34A1 MET 18 HA -0.01 0.34 1.15 -0.75 4.52 5.25 1z34A1 MET 18 HB2 0.13 -0.12 -0.06 -0.04 2.15 2.06 1z34A1 MET 18 HB3 0.22 -0.01 -0.10 -0.04 2.03 2.10 1z34A1 MET 18 HG2 -0.03 0.14 -0.22 -0.04 2.63 2.48 1z34A1 MET 18 HG3 -0.02 -0.02 -0.57 -0.04 2.56 1.91 1z34A1 MET 18 HE3 -0.11 0.01 -0.21 -0.04 2.10 1.75 1z34A1 CYS 19 H -0.16 0.53 0.29 -0.55 8.50 8.60 1z34A1 CYS 19 HA -0.06 0.21 0.85 -0.75 4.58 4.82 1z34A1 CYS 19 HB2 -0.03 -0.19 0.17 -0.04 2.97 2.88 1z34A1 CYS 19 HB3 -0.01 0.18 -0.06 -0.04 2.97 3.04 1z34A1 GLY 20 H -0.19 0.13 0.20 -0.55 8.43 8.03 1z34A1 GLY 20 HA2 -0.60 0.12 0.49 -0.51 4.01 3.52 1z34A1 GLY 20 HA3 -0.12 0.02 0.34 -0.51 4.01 3.74 1z34A1 ASP 21 H -0.09 0.06 0.01 -0.55 8.40 7.83 1z34A1 ASP 21 HA -0.06 0.20 0.58 -0.75 4.63 4.60 1z34A1 ASP 21 HB2 -0.04 0.05 0.13 -0.04 2.71 2.81 1z34A1 ASP 21 HB3 -0.04 -0.02 0.18 -0.04 2.70 2.78 1z34A1 PRO 22 HA -0.05 0.15 0.45 -0.51 4.44 4.49 1z34A1 PRO 22 HB2 -0.01 0.00 0.08 -0.04 2.28 2.30 1z34A1 PRO 22 HB3 -0.03 0.21 0.10 -0.04 2.02 2.26 1z34A1 PRO 22 HG2 -0.03 0.09 0.14 -0.04 2.03 2.19 1z34A1 PRO 22 HG3 -0.07 0.03 0.19 -0.04 2.03 2.14 1z34A1 PRO 22 HD2 -0.03 0.03 0.28 -0.04 3.68 3.91 1z34A1 PRO 22 HD3 -0.06 0.30 0.50 -0.04 3.65 4.36 1z34A1 LEU 23 H -0.02 0.12 -0.16 -0.55 8.37 7.76 1z34A1 LEU 23 HA 0.00 0.15 0.50 -0.75 4.35 4.25 1z34A1 LEU 23 HB2 -0.03 -0.04 0.02 -0.04 1.64 1.55 1z34A1 LEU 23 HB3 -0.02 0.05 0.05 -0.04 1.64 1.67 1z34A1 LEU 23 HG -0.01 -0.02 0.05 -0.04 1.64 1.61 1z34A1 LEU 23 HD13 -0.02 0.01 0.01 -0.04 0.93 0.90 1z34A1 LEU 23 HD23 0.00 0.02 -0.03 -0.04 0.89 0.85 1z34A1 ARG 24 H -0.03 0.18 -0.41 -0.55 8.46 7.64 1z34A1 ARG 24 HA -0.04 0.10 0.50 -0.75 4.34 4.14 1z34A1 ARG 24 HB2 -0.05 -0.07 0.07 -0.04 1.90 1.80 1z34A1 ARG 24 HB3 -0.01 0.19 0.10 -0.04 1.80 2.03 1z34A1 ARG 24 HG2 0.14 -0.05 -0.04 -0.04 1.67 1.67 1z34A1 ARG 24 HG3 0.13 0.04 -0.19 -0.04 1.67 1.61 1z34A1 ARG 24 HD2 -0.42 0.05 -0.04 -0.04 3.22 2.76 1z34A1 ARG 24 HD3 -0.15 0.00 0.04 -0.04 3.22 3.07 1z34A1 ALA 25 H -0.01 0.33 -0.17 -0.55 8.40 8.00 1z34A1 ALA 25 HA 0.02 0.03 0.32 -0.75 4.34 3.95 1z34A1 ALA 25 HB3 0.02 0.07 -0.03 -0.04 1.41 1.43 1z34A1 LYS 26 H 0.02 0.29 -0.34 -0.55 8.42 7.84 1z34A1 LYS 26 HA -0.24 0.09 0.42 -0.75 4.32 3.83 1z34A1 LYS 26 HB2 0.11 0.05 0.10 -0.04 1.87 2.08 1z34A1 LYS 26 HB3 -0.00 0.07 0.13 -0.04 1.79 1.95 1z34A1 LYS 26 HG2 -0.08 0.00 -0.23 -0.04 1.46 1.11 1z34A1 LYS 26 HG3 -0.06 -0.00 -0.01 -0.04 1.46 1.35 1z34A1 LYS 26 HD2 0.08 -0.02 -0.01 -0.04 1.69 1.70 1z34A1 LYS 26 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 1z34A1 LYS 26 HE2 -0.00 0.01 -0.05 -0.04 2.99 2.91 1z34A1 LYS 26 HE3 0.07 0.01 -0.04 -0.04 2.99 2.99 1z34A1 LEU 27 H -0.03 0.40 -0.20 -0.55 8.37 7.99 1z34A1 LEU 27 HA -0.06 0.03 0.37 -0.75 4.35 3.95 1z34A1 LEU 27 HB2 -0.04 0.04 0.14 -0.04 1.64 1.74 1z34A1 LEU 27 HB3 -0.02 0.05 0.14 -0.04 1.64 1.78 1z34A1 LEU 27 HG 0.00 0.01 -0.18 -0.04 1.64 1.44 1z34A1 LEU 27 HD13 -0.05 -0.00 0.02 -0.04 0.93 0.86 1z34A1 LEU 27 HD23 -0.08 -0.02 -0.03 -0.04 0.89 0.72 1z34A1 ILE 28 H 0.03 0.53 -0.33 -0.55 8.25 7.92 1z34A1 ILE 28 HA 0.32 0.02 0.39 -0.75 4.18 4.15 1z34A1 ILE 28 HB 0.04 0.11 0.08 -0.04 1.89 2.08 1z34A1 ILE 28 HG12 0.19 -0.04 -0.04 -0.04 1.49 1.56 1z34A1 ILE 28 HG13 0.16 0.13 0.01 -0.04 1.21 1.46 1z34A1 ILE 28 HG23 0.01 -0.01 -0.21 -0.04 0.93 0.68 1z34A1 ILE 28 HD13 0.09 -0.04 -0.16 -0.04 0.88 0.73 1z34A1 ALA 29 H -0.09 0.41 -0.30 -0.55 8.40 7.87 1z34A1 ALA 29 HA -0.03 0.01 0.38 -0.75 4.34 3.94 1z34A1 ALA 29 HB3 -0.40 0.03 0.04 -0.04 1.41 1.04 1z34A1 GLU 30 H -0.16 0.45 -0.12 -0.55 8.60 8.23 1z34A1 GLU 30 HA -0.10 0.09 0.46 -0.75 4.29 3.99 1z34A1 GLU 30 HB2 -0.13 -0.04 0.06 -0.04 2.09 1.94 1z34A1 GLU 30 HB3 -0.10 0.02 0.10 -0.04 1.99 1.97 1z34A1 GLU 30 HG2 -0.06 -0.08 -0.03 -0.04 2.34 2.13 1z34A1 GLU 30 HG3 -0.07 0.04 -0.20 -0.04 2.34 2.07 1z34A1 THR 31 H -0.04 0.35 -0.26 -0.55 8.28 7.77 1z34A1 THR 31 HA -0.16 0.10 0.64 -0.75 4.39 4.21 1z34A1 THR 31 HB -0.20 -0.00 0.10 -0.04 4.32 4.18 1z34A1 THR 31 HG23 -0.55 -0.03 -0.07 -0.04 1.22 0.53 1z34A1 TYR 32 H 0.14 0.54 0.02 -0.55 8.29 8.44 1z34A1 TYR 32 HA 0.07 0.21 1.05 -0.75 4.56 5.14 1z34A1 TYR 32 HB2 -0.01 0.07 0.01 -0.04 3.06 3.09 1z34A1 TYR 32 HB3 0.02 -0.05 0.03 -0.04 2.98 2.94 1z34A1 TYR 32 HD2 0.03 0.08 0.03 -0.04 7.15 7.25 1z34A1 TYR 32 HE2 0.06 -0.03 -0.07 -0.04 6.85 6.77 1z34A1 LEU 33 H 0.09 0.27 0.02 -0.55 8.37 8.21 1z34A1 LEU 33 HA 0.16 0.22 0.87 -0.75 4.35 4.84 1z34A1 LEU 33 HB2 0.03 0.17 0.08 -0.04 1.64 1.87 1z34A1 LEU 33 HB3 0.06 -0.09 -0.00 -0.04 1.64 1.57 1z34A1 LEU 33 HG 0.06 -0.01 -0.08 -0.04 1.64 1.57 1z34A1 LEU 33 HD13 0.05 -0.03 -0.17 -0.04 0.93 0.73 1z34A1 LEU 33 HD23 0.09 0.00 -0.35 -0.04 0.89 0.60 1z34A1 GLU 34 H 0.07 0.54 0.35 -0.55 8.60 9.01 1z34A1 GLU 34 HA 0.01 0.16 0.87 -0.75 4.29 4.58 1z34A1 GLU 34 HB2 0.02 -0.03 0.13 -0.04 2.09 2.17 1z34A1 GLU 34 HB3 0.01 -0.03 0.03 -0.04 1.99 1.96 1z34A1 GLU 34 HG2 0.02 0.08 -0.05 -0.04 2.34 2.35 1z34A1 GLU 34 HG3 -0.01 -0.08 -0.00 -0.04 2.34 2.20 1z34A1 ASN 35 H 0.00 0.13 0.15 -0.55 8.53 8.27 1z34A1 ASN 35 HA 0.01 0.01 0.32 -0.75 4.76 4.34 1z34A1 ASN 35 HB2 0.01 0.15 0.01 -0.04 2.88 3.02 1z34A1 ASN 35 HB3 0.01 -0.00 0.17 -0.04 2.79 2.93 1z34A1 ASN 35 HD21 0.00 -0.02 -0.05 -0.04 7.03 6.92 1z34A1 ASN 35 HD22 0.01 0.03 -0.06 -0.04 7.74 7.67 1z34A1 PRO 36 HA 0.05 0.13 0.31 -0.51 4.44 4.42 1z34A1 PRO 36 HB2 -0.05 -0.08 -0.20 -0.04 2.28 1.90 1z34A1 PRO 36 HB3 -0.02 0.07 -0.14 -0.04 2.02 1.89 1z34A1 PRO 36 HG2 -0.02 -0.06 -0.00 -0.04 2.03 1.91 1z34A1 PRO 36 HG3 -0.07 0.16 -0.15 -0.04 2.03 1.93 1z34A1 PRO 36 HD2 -0.00 -0.04 0.10 -0.04 3.68 3.70 1z34A1 PRO 36 HD3 0.00 0.26 -0.36 -0.04 3.65 3.51 1z34A1 LYS 37 H 0.08 0.57 0.33 -0.55 8.42 8.85 1z34A1 LYS 37 HA 0.08 0.10 0.95 -0.75 4.32 4.70 1z34A1 LYS 37 HB2 0.01 0.09 -0.00 -0.04 1.87 1.93 1z34A1 LYS 37 HB3 -0.02 0.06 0.18 -0.04 1.79 1.97 1z34A1 LYS 37 HG2 -0.04 0.07 -0.21 -0.04 1.46 1.23 1z34A1 LYS 37 HG3 -0.00 -0.05 0.04 -0.04 1.46 1.41 1z34A1 LYS 37 HD2 -0.01 0.00 -0.00 -0.04 1.69 1.64 1z34A1 LYS 37 HD3 -0.04 0.02 -0.03 -0.04 1.68 1.60 1z34A1 LYS 37 HE2 -0.02 -0.04 -0.00 -0.04 2.99 2.89 1z34A1 LYS 37 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 1z34A1 LEU 38 H 0.01 0.14 0.10 -0.55 8.37 8.08 1z34A1 LEU 38 HA -0.71 0.10 0.53 -0.75 4.35 3.52 1z34A1 LEU 38 HB2 -0.26 0.01 0.06 -0.04 1.64 1.41 1z34A1 LEU 38 HB3 -0.14 0.01 0.15 -0.04 1.64 1.62 1z34A1 LEU 38 HG -0.24 -0.06 -0.31 -0.04 1.64 0.98 1z34A1 LEU 38 HD13 -0.71 0.05 -0.12 -0.04 0.93 0.11 1z34A1 LEU 38 HD23 -0.11 -0.01 -0.06 -0.04 0.89 0.67 1z34A1 VAL 39 H -0.35 0.65 0.51 -0.55 8.24 8.50 1z34A1 VAL 39 HA -0.19 0.19 0.89 -0.75 4.13 4.27 1z34A1 VAL 39 HB -0.44 -0.11 0.06 -0.04 2.12 1.58 1z34A1 VAL 39 HG13 -0.24 0.12 -0.02 -0.04 0.97 0.79 1z34A1 VAL 39 HG23 -0.82 0.01 -0.24 -0.04 0.95 -0.14 1z34A1 ASN 40 H -0.25 0.38 0.13 -0.55 8.53 8.24 1z34A1 ASN 40 HA -0.05 0.03 0.52 -0.75 4.76 4.51 1z34A1 ASN 40 HB2 0.06 0.15 -0.00 -0.04 2.88 3.04 1z34A1 ASN 40 HB3 0.11 0.04 0.03 -0.04 2.79 2.92 1z34A1 ASN 40 HD21 0.13 0.35 0.15 -0.04 7.03 7.62 1z34A1 ASN 40 HD22 0.12 0.04 -0.02 -0.04 7.74 7.84 1z34A1 ASN 41 H -0.03 0.19 0.10 -0.55 8.53 8.24 1z34A1 ASN 41 HA -0.05 0.04 0.82 -0.75 4.76 4.81 1z34A1 ASN 41 HB2 -0.10 0.08 -0.16 -0.04 2.88 2.66 1z34A1 ASN 41 HB3 -0.04 0.07 0.04 -0.04 2.79 2.82 1z34A1 ASN 41 HD21 -0.01 0.04 0.04 -0.04 7.03 7.06 1z34A1 ASN 41 HD22 -0.02 0.06 0.03 -0.04 7.74 7.76 1z34A1 VAL 42 H 0.03 0.08 0.05 -0.55 8.24 7.85 1z34A1 VAL 42 HA 0.03 0.08 0.48 -0.75 4.13 3.96 1z34A1 VAL 42 HB 0.10 0.19 -0.09 -0.04 2.12 2.28 1z34A1 VAL 42 HG13 0.05 0.04 -0.12 -0.04 0.97 0.90 1z34A1 VAL 42 HG23 0.04 -0.01 -0.07 -0.04 0.95 0.86 1z34A1 ARG 43 H 0.03 0.17 0.22 -0.55 8.46 8.33 1z34A1 ARG 43 HA 0.04 0.03 0.34 -0.75 4.34 4.00 1z34A1 ARG 43 HB2 0.14 0.23 -0.10 -0.04 1.90 2.13 1z34A1 ARG 43 HB3 0.09 -0.02 0.17 -0.04 1.80 2.01 1z34A1 ARG 43 HG2 0.07 0.00 0.03 -0.04 1.67 1.73 1z34A1 ARG 43 HG3 0.08 -0.05 -0.11 -0.04 1.67 1.55 1z34A1 ARG 43 HD2 0.23 0.05 -0.09 -0.04 3.22 3.37 1z34A1 ARG 43 HD3 0.16 -0.03 -0.03 -0.04 3.22 3.28 1z34A1 GLY 44 H 0.02 0.52 -0.34 -0.55 8.43 8.07 1z34A1 GLY 44 HA2 -0.00 0.02 0.30 -0.51 4.01 3.82 1z34A1 GLY 44 HA3 0.01 0.03 0.35 -0.51 4.01 3.89 1z34A1 ILE 45 H 0.01 0.35 -0.54 -0.55 8.25 7.52 1z34A1 ILE 45 HA -0.06 0.05 0.35 -0.75 4.18 3.77 1z34A1 ILE 45 HB -0.00 0.15 -0.01 -0.04 1.89 1.99 1z34A1 ILE 45 HG12 -0.71 0.08 -0.08 -0.04 1.49 0.74 1z34A1 ILE 45 HG13 -0.28 -0.12 0.06 -0.04 1.21 0.84 1z34A1 ILE 45 HG23 -0.03 -0.04 -0.21 -0.04 0.93 0.61 1z34A1 ILE 45 HD13 -0.25 -0.04 -0.28 -0.04 0.88 0.27 1z34A1 GLN 46 H -0.04 -0.05 -0.39 -0.55 8.47 7.45 1z34A1 GLN 46 HA -0.10 0.00 0.32 -0.75 4.36 3.82 1z34A1 GLN 46 HB2 0.05 0.06 -0.02 -0.04 2.15 2.20 1z34A1 GLN 46 HB3 0.28 -0.02 0.12 -0.04 2.02 2.36 1z34A1 GLN 46 HG2 0.03 0.13 -0.16 -0.04 2.40 2.36 1z34A1 GLN 46 HG3 0.08 0.02 -0.12 -0.04 2.39 2.34 1z34A1 GLN 46 HE21 0.02 0.01 -0.02 -0.04 6.97 6.94 1z34A1 GLN 46 HE22 -0.02 -0.07 -0.01 -0.04 7.69 7.55 1z34A1 GLY 47 H -0.14 0.76 0.26 -0.55 8.43 8.76 1z34A1 GLY 47 HA2 0.06 0.25 0.94 -0.51 4.01 4.75 1z34A1 GLY 47 HA3 0.04 -0.06 0.38 -0.51 4.01 3.86 1z34A1 TYR 48 H 0.18 0.91 0.50 -0.55 8.29 9.33 1z34A1 TYR 48 HA -0.10 0.16 1.16 -0.75 4.56 5.04 1z34A1 TYR 48 HB2 -0.01 0.03 0.08 -0.04 3.06 3.12 1z34A1 TYR 48 HB3 -0.03 -0.01 -0.07 -0.04 2.98 2.83 1z34A1 TYR 48 HD2 -0.02 0.13 -0.41 -0.04 7.15 6.81 1z34A1 TYR 48 HE2 -0.02 -0.02 -0.13 -0.04 6.85 6.64 1z34A1 THR 49 H 0.04 0.52 0.36 -0.55 8.28 8.65 1z34A1 THR 49 HA 0.01 0.16 1.04 -0.75 4.39 4.85 1z34A1 THR 49 HB -0.13 -0.01 0.22 -0.04 4.32 4.37 1z34A1 THR 49 HG23 -0.03 0.01 -0.09 -0.04 1.22 1.08 1z34A1 GLY 50 H 0.04 0.69 0.32 -0.55 8.43 8.93 1z34A1 GLY 50 HA2 0.03 0.23 0.62 -0.51 4.01 4.38 1z34A1 GLY 50 HA3 0.04 -0.03 0.26 -0.51 4.01 3.78 1z34A1 THR 51 H 0.05 0.34 0.27 -0.55 8.28 8.40 1z34A1 THR 51 HA 0.07 0.38 0.88 -0.75 4.39 4.97 1z34A1 THR 51 HB 0.03 -0.12 -0.38 -0.04 4.32 3.81 1z34A1 THR 51 HG23 0.03 0.00 -0.42 -0.04 1.22 0.79 1z34A1 TYR 52 H 0.14 0.74 0.14 -0.55 8.29 8.75 1z34A1 TYR 52 HA 0.03 0.14 0.83 -0.75 4.56 4.81 1z34A1 TYR 52 HB2 0.03 0.02 -0.12 -0.04 3.06 2.95 1z34A1 TYR 52 HB3 0.02 0.06 0.07 -0.04 2.98 3.09 1z34A1 TYR 52 HD2 0.04 0.17 -0.03 -0.04 7.15 7.29 1z34A1 TYR 52 HE2 0.06 0.01 -0.10 -0.04 6.85 6.78 1z34A1 LYS 53 H -0.31 0.19 0.10 -0.55 8.42 7.84 1z34A1 LYS 53 HA -0.19 0.02 0.32 -0.75 4.32 3.72 1z34A1 LYS 53 HB2 -0.15 0.21 -0.04 -0.04 1.87 1.85 1z34A1 LYS 53 HB3 -0.12 0.01 0.22 -0.04 1.79 1.85 1z34A1 LYS 53 HG2 -0.35 -0.01 0.04 -0.04 1.46 1.10 1z34A1 LYS 53 HG3 -1.11 -0.03 -0.13 -0.04 1.46 0.14 1z34A1 LYS 53 HD2 -0.06 0.05 -0.05 -0.04 1.69 1.58 1z34A1 LYS 53 HD3 -0.10 -0.00 0.01 -0.04 1.68 1.54 1z34A1 LYS 53 HE2 -0.13 -0.02 -0.01 -0.04 2.99 2.79 1z34A1 LYS 53 HE3 -0.16 0.01 -0.04 -0.04 2.99 2.75 1z34A1 GLY 54 H -0.04 0.03 -0.33 -0.55 8.43 7.53 1z34A1 GLY 54 HA2 -0.01 -0.02 0.22 -0.51 4.01 3.69 1z34A1 GLY 54 HA3 -0.01 0.11 0.39 -0.51 4.01 4.00 1z34A1 LYS 55 H 0.03 0.46 -0.56 -0.55 8.42 7.79 1z34A1 LYS 55 HA 0.03 0.20 0.89 -0.75 4.32 4.69 1z34A1 LYS 55 HB2 0.08 0.09 0.10 -0.04 1.87 2.09 1z34A1 LYS 55 HB3 0.06 0.09 -0.00 -0.04 1.79 1.89 1z34A1 LYS 55 HG2 0.03 -0.01 -0.08 -0.04 1.46 1.35 1z34A1 LYS 55 HG3 0.04 0.05 0.03 -0.04 1.46 1.53 1z34A1 LYS 55 HD2 0.03 0.02 0.06 -0.04 1.69 1.76 1z34A1 LYS 55 HD3 0.03 0.03 0.08 -0.04 1.68 1.77 1z34A1 LYS 55 HE2 0.02 0.03 0.01 -0.04 2.99 3.01 1z34A1 LYS 55 HE3 0.02 -0.05 0.02 -0.04 2.99 2.94 1z34A1 PRO 56 HA 0.04 0.29 0.63 -0.51 4.44 4.89 1z34A1 PRO 56 HB2 0.05 -0.11 0.14 -0.04 2.28 2.32 1z34A1 PRO 56 HB3 0.04 0.06 0.10 -0.04 2.02 2.18 1z34A1 PRO 56 HG2 0.03 0.01 0.12 -0.04 2.03 2.15 1z34A1 PRO 56 HG3 0.03 0.06 0.09 -0.04 2.03 2.17 1z34A1 PRO 56 HD2 0.04 0.08 0.25 -0.04 3.68 4.01 1z34A1 PRO 56 HD3 0.03 0.21 0.34 -0.04 3.65 4.19 1z34A1 ILE 57 H 0.05 0.66 0.38 -0.55 8.25 8.79 1z34A1 ILE 57 HA 0.05 0.14 0.75 -0.75 4.18 4.38 1z34A1 ILE 57 HB 0.06 0.13 -0.21 -0.04 1.89 1.84 1z34A1 ILE 57 HG12 0.02 0.00 -0.26 -0.04 1.49 1.21 1z34A1 ILE 57 HG13 0.02 0.06 0.03 -0.04 1.21 1.28 1z34A1 ILE 57 HG23 0.08 -0.03 -0.23 -0.04 0.93 0.71 1z34A1 ILE 57 HD13 -0.06 -0.02 -0.13 -0.04 0.88 0.62 1z34A1 SER 58 H 0.07 0.58 0.41 -0.55 8.46 8.97 1z34A1 SER 58 HA 0.07 0.24 1.24 -0.75 4.49 5.29 1z34A1 SER 58 HB2 0.21 -0.01 0.13 -0.04 3.95 4.24 1z34A1 SER 58 HB3 0.25 0.09 0.16 -0.04 3.93 4.39 1z34A1 VAL 59 H 0.12 0.61 0.40 -0.55 8.24 8.82 1z34A1 VAL 59 HA 0.04 0.37 0.99 -0.75 4.13 4.78 1z34A1 VAL 59 HB 0.02 0.00 -0.11 -0.04 2.12 1.99 1z34A1 VAL 59 HG13 0.09 -0.01 0.01 -0.04 0.97 1.01 1z34A1 VAL 59 HG23 0.02 -0.02 -0.03 -0.04 0.95 0.88 1z34A1 MET 60 H 0.01 0.54 0.40 -0.55 8.47 8.87 1z34A1 MET 60 HA 0.04 0.34 0.71 -0.75 4.52 4.85 1z34A1 MET 60 HB2 0.13 -0.01 -0.15 -0.04 2.15 2.08 1z34A1 MET 60 HB3 -0.03 -0.03 -0.11 -0.04 2.03 1.82 1z34A1 MET 60 HG2 -0.22 0.38 -0.08 -0.04 2.63 2.67 1z34A1 MET 60 HG3 -0.06 -0.04 -0.22 -0.04 2.56 2.20 1z34A1 MET 60 HE3 -0.25 0.03 -0.10 -0.04 2.10 1.75 1z34A1 GLY 61 H -0.10 0.60 0.24 -0.55 8.43 8.62 1z34A1 GLY 61 HA2 -0.23 0.24 0.63 -0.51 4.01 4.14 1z34A1 GLY 61 HA3 -0.18 -0.02 0.38 -0.51 4.01 3.68 1z34A1 HIS 62 H -0.44 0.19 0.31 -0.55 8.41 7.92 1z34A1 HIS 62 HA -0.54 0.20 0.66 -0.75 4.63 4.19 1z34A1 HIS 62 HB2 0.00 -0.10 0.05 -0.04 3.26 3.17 1z34A1 HIS 62 HB3 -0.13 0.11 -0.23 -0.04 3.20 2.91 1z34A1 HIS 62 HD2 -0.04 0.02 -0.38 -0.04 6.97 6.52 1z34A1 HIS 62 HE1 -0.01 -0.14 -0.05 -0.04 7.75 7.51 1z34A1 GLY 63 H -0.10 0.14 0.23 -0.55 8.43 8.16 1z34A1 GLY 63 HA2 0.04 0.07 0.40 -0.51 4.01 4.01 1z34A1 GLY 63 HA3 0.14 0.11 0.47 -0.51 4.01 4.22 1z34A1 MET 64 H 0.06 0.20 0.21 -0.55 8.47 8.39 1z34A1 MET 64 HA 0.11 0.11 0.97 -0.75 4.52 4.94 1z34A1 MET 64 HB2 0.02 0.03 0.14 -0.04 2.15 2.30 1z34A1 MET 64 HB3 0.02 -0.02 0.04 -0.04 2.03 2.03 1z34A1 MET 64 HG2 0.03 -0.02 -0.08 -0.04 2.63 2.52 1z34A1 MET 64 HG3 0.01 -0.01 -0.10 -0.04 2.56 2.42 1z34A1 MET 64 HE3 -0.04 0.02 0.01 -0.04 2.10 2.05 1z34A1 GLY 65 H 0.03 0.05 0.10 -0.55 8.43 8.07 1z34A1 GLY 65 HA2 -0.01 0.06 0.52 -0.51 4.01 4.07 1z34A1 GLY 65 HA3 0.00 0.16 0.83 -0.51 4.01 4.49 1z34A1 LEU 66 H -0.05 0.09 0.18 -0.55 8.37 8.04 1z34A1 LEU 66 HA -0.09 0.05 0.48 -0.75 4.35 4.03 1z34A1 LEU 66 HB2 -0.07 -0.01 0.13 -0.04 1.64 1.64 1z34A1 LEU 66 HB3 -0.08 0.05 -0.08 -0.04 1.64 1.49 1z34A1 LEU 66 HG -0.13 -0.04 -0.04 -0.04 1.64 1.38 1z34A1 LEU 66 HD13 -0.14 0.03 -0.28 -0.04 0.93 0.50 1z34A1 LEU 66 HD23 -0.11 0.00 -0.15 -0.04 0.89 0.59 1z34A1 PRO 67 HA -0.05 0.09 0.42 -0.51 4.44 4.39 1z34A1 PRO 67 HB2 -0.03 0.08 0.01 -0.04 2.28 2.30 1z34A1 PRO 67 HB3 -0.03 0.08 0.07 -0.04 2.02 2.09 1z34A1 PRO 67 HG2 -0.02 0.09 0.08 -0.04 2.03 2.14 1z34A1 PRO 67 HG3 -0.03 0.01 0.06 -0.04 2.03 2.02 1z34A1 PRO 67 HD2 -0.02 0.13 0.04 -0.04 3.68 3.78 1z34A1 PRO 67 HD3 -0.04 -0.05 0.18 -0.04 3.65 3.70 1z34A1 SER 68 H -0.02 0.18 -0.42 -0.55 8.46 7.66 1z34A1 SER 68 HA -0.07 0.07 0.42 -0.75 4.49 4.16 1z34A1 SER 68 HB2 0.04 -0.02 0.04 -0.04 3.95 3.97 1z34A1 SER 68 HB3 0.07 0.09 -0.11 -0.04 3.93 3.94 1z34A1 ILE 69 H -0.02 0.36 -0.05 -0.55 8.25 7.98 1z34A1 ILE 69 HA 0.11 0.12 0.42 -0.75 4.18 4.08 1z34A1 ILE 69 HB -0.30 0.04 0.01 -0.04 1.89 1.60 1z34A1 ILE 69 HG12 -0.12 -0.02 -0.11 -0.04 1.49 1.20 1z34A1 ILE 69 HG13 -0.17 0.06 -0.01 -0.04 1.21 1.06 1z34A1 ILE 69 HG23 -0.14 -0.00 -0.06 -0.04 0.93 0.68 1z34A1 ILE 69 HD13 -0.45 -0.02 -0.16 -0.04 0.88 0.22 1z34A1 CYS 70 H -0.07 0.49 -0.37 -0.55 8.50 8.01 1z34A1 CYS 70 HA -0.04 0.02 0.30 -0.75 4.58 4.11 1z34A1 CYS 70 HB2 -0.07 0.10 0.07 -0.04 2.97 3.03 1z34A1 CYS 70 HB3 -0.04 0.00 -0.06 -0.04 2.97 2.82 1z34A1 ILE 71 H -0.16 0.37 -0.31 -0.55 8.25 7.61 1z34A1 ILE 71 HA -0.19 0.03 0.39 -0.75 4.18 3.66 1z34A1 ILE 71 HB -0.56 0.20 0.20 -0.04 1.89 1.70 1z34A1 ILE 71 HG12 -0.25 -0.04 0.02 -0.04 1.49 1.18 1z34A1 ILE 71 HG13 -0.20 0.11 0.09 -0.04 1.21 1.17 1z34A1 ILE 71 HG23 -1.05 -0.01 -0.19 -0.04 0.93 -0.36 1z34A1 ILE 71 HD13 -0.32 -0.02 -0.01 -0.04 0.88 0.48 1z34A1 TYR 72 H -0.24 0.40 -0.08 -0.55 8.29 7.82 1z34A1 TYR 72 HA -0.12 0.02 0.32 -0.75 4.56 4.02 1z34A1 TYR 72 HB2 -0.08 0.01 0.12 -0.04 3.06 3.07 1z34A1 TYR 72 HB3 -0.11 0.02 -0.06 -0.04 2.98 2.79 1z34A1 TYR 72 HD2 -0.05 0.05 -0.09 -0.04 7.15 7.02 1z34A1 TYR 72 HE2 0.01 0.03 -0.13 -0.04 6.85 6.72 1z34A1 ALA 73 H -0.02 0.71 -0.12 -0.55 8.40 8.42 1z34A1 ALA 73 HA -0.27 0.04 0.33 -0.75 4.34 3.68 1z34A1 ALA 73 HB3 -0.03 -0.01 -0.02 -0.04 1.41 1.31 1z34A1 GLU 74 H -0.04 0.52 -0.21 -0.55 8.60 8.32 1z34A1 GLU 74 HA -0.03 0.05 0.41 -0.75 4.29 3.96 1z34A1 GLU 74 HB2 0.07 -0.03 0.10 -0.04 2.09 2.19 1z34A1 GLU 74 HB3 -0.02 0.15 0.15 -0.04 1.99 2.23 1z34A1 GLU 74 HG2 0.03 -0.01 -0.14 -0.04 2.34 2.18 1z34A1 GLU 74 HG3 0.01 -0.04 -0.00 -0.04 2.34 2.27 1z34A1 GLU 75 H -0.07 0.51 -0.19 -0.55 8.60 8.30 1z34A1 GLU 75 HA -0.03 0.02 0.43 -0.75 4.29 3.96 1z34A1 GLU 75 HB2 0.02 0.11 0.04 -0.04 2.09 2.22 1z34A1 GLU 75 HB3 0.13 -0.06 -0.04 -0.04 1.99 1.99 1z34A1 GLU 75 HG2 0.03 -0.03 0.01 -0.04 2.34 2.31 1z34A1 GLU 75 HG3 -0.05 0.33 0.08 -0.04 2.34 2.66 1z34A1 LEU 76 H -0.14 0.49 -0.26 -0.55 8.37 7.91 1z34A1 LEU 76 HA 0.02 -0.04 0.35 -0.75 4.35 3.93 1z34A1 LEU 76 HB2 -0.41 0.11 0.08 -0.04 1.64 1.37 1z34A1 LEU 76 HB3 -0.34 -0.02 -0.14 -0.04 1.64 1.10 1z34A1 LEU 76 HG -0.26 0.16 -0.01 -0.04 1.64 1.48 1z34A1 LEU 76 HD13 -0.30 -0.03 -0.19 -0.04 0.93 0.37 1z34A1 LEU 76 HD23 -0.90 -0.02 -0.12 -0.04 0.89 -0.19 1z34A1 TYR 77 H -0.27 0.50 -0.18 -0.55 8.29 7.79 1z34A1 TYR 77 HA -0.10 0.21 0.40 -0.75 4.56 4.33 1z34A1 TYR 77 HB2 -0.63 -0.02 0.08 -0.04 3.06 2.45 1z34A1 TYR 77 HB3 -0.28 0.05 -0.05 -0.04 2.98 2.66 1z34A1 TYR 77 HD2 -0.05 0.19 -0.24 -0.04 7.15 7.00 1z34A1 TYR 77 HE2 0.03 -0.06 -0.33 -0.04 6.85 6.45 1z34A1 SER 78 H -0.33 0.48 -0.10 -0.55 8.46 7.96 1z34A1 SER 78 HA -0.09 0.11 0.49 -0.75 4.49 4.25 1z34A1 SER 78 HB2 -0.40 -0.02 0.11 -0.04 3.95 3.60 1z34A1 SER 78 HB3 -0.13 -0.01 0.17 -0.04 3.93 3.93 1z34A1 THR 79 H -0.10 0.49 0.06 -0.55 8.28 8.19 1z34A1 THR 79 HA -0.14 0.16 0.73 -0.75 4.39 4.37 1z34A1 THR 79 HB -0.35 0.10 0.10 -0.04 4.32 4.14 1z34A1 THR 79 HG23 -0.60 -0.02 -0.17 -0.04 1.22 0.40 1z34A1 TYR 80 H 0.02 0.32 0.01 -0.55 8.29 8.09 1z34A1 TYR 80 HA 0.04 0.08 0.71 -0.75 4.56 4.64 1z34A1 TYR 80 HB2 -0.12 0.08 0.07 -0.04 3.06 3.05 1z34A1 TYR 80 HB3 0.10 -0.07 0.08 -0.04 2.98 3.05 1z34A1 TYR 80 HD2 0.04 0.02 -0.30 -0.04 7.15 6.87 1z34A1 TYR 80 HE2 0.07 -0.04 -0.62 -0.04 6.85 6.22 1z34A1 LYS 81 H 0.02 0.14 -0.68 -0.55 8.42 7.35 1z34A1 LYS 81 HA 0.07 0.26 0.26 -0.75 4.32 4.15 1z34A1 LYS 81 HB2 0.08 0.05 -0.09 -0.04 1.87 1.86 1z34A1 LYS 81 HB3 0.06 -0.05 0.13 -0.04 1.79 1.90 1z34A1 LYS 81 HG2 0.02 -0.00 -0.32 -0.04 1.46 1.12 1z34A1 LYS 81 HG3 0.04 -0.09 -0.07 -0.04 1.46 1.30 1z34A1 LYS 81 HD2 0.04 -0.05 0.02 -0.04 1.69 1.66 1z34A1 LYS 81 HD3 0.03 0.18 -0.07 -0.04 1.68 1.78 1z34A1 LYS 81 HE2 -0.02 0.07 0.02 -0.04 2.99 3.02 1z34A1 LYS 81 HE3 0.01 -0.13 0.01 -0.04 2.99 2.84 1z34A1 VAL 82 H 0.07 0.38 -0.35 -0.55 8.24 7.80 1z34A1 VAL 82 HA 0.09 0.04 0.40 -0.75 4.13 3.91 1z34A1 VAL 82 HB -0.10 -0.09 -0.39 -0.04 2.12 1.50 1z34A1 VAL 82 HG13 -0.01 -0.03 -0.37 -0.04 0.97 0.52 1z34A1 VAL 82 HG23 -0.04 0.05 -0.17 -0.04 0.95 0.76 1z34A1 LYS 83 H 0.10 0.48 0.40 -0.55 8.42 8.85 1z34A1 LYS 83 HA 0.15 0.22 0.96 -0.75 4.32 4.90 1z34A1 LYS 83 HB2 0.08 0.03 0.18 -0.04 1.87 2.11 1z34A1 LYS 83 HB3 0.07 -0.09 0.09 -0.04 1.79 1.82 1z34A1 LYS 83 HG2 0.08 0.10 0.04 -0.04 1.46 1.64 1z34A1 LYS 83 HG3 0.06 -0.07 0.05 -0.04 1.46 1.46 1z34A1 LYS 83 HD2 0.06 -0.06 0.04 -0.04 1.69 1.68 1z34A1 LYS 83 HD3 0.09 0.15 -0.15 -0.04 1.68 1.73 1z34A1 LYS 83 HE2 0.05 -0.10 0.02 -0.04 2.99 2.92 1z34A1 LYS 83 HE3 0.05 -0.03 0.00 -0.04 2.99 2.98 1z34A1 THR 84 H 0.11 0.65 0.39 -0.55 8.28 8.88 1z34A1 THR 84 HA 0.16 0.27 1.06 -0.75 4.39 5.13 1z34A1 THR 84 HB 0.05 0.01 0.10 -0.04 4.32 4.44 1z34A1 THR 84 HG23 0.04 -0.04 -0.30 -0.04 1.22 0.89 1z34A1 ILE 85 H 0.18 0.56 0.26 -0.55 8.25 8.69 1z34A1 ILE 85 HA 0.01 0.32 1.08 -0.75 4.18 4.83 1z34A1 ILE 85 HB 0.13 -0.03 0.13 -0.04 1.89 2.08 1z34A1 ILE 85 HG12 -0.18 0.06 -0.13 -0.04 1.49 1.20 1z34A1 ILE 85 HG13 -0.22 0.03 -0.38 -0.04 1.21 0.60 1z34A1 ILE 85 HG23 -0.01 -0.03 -0.23 -0.04 0.93 0.62 1z34A1 ILE 85 HD13 -0.59 -0.01 -0.12 -0.04 0.88 0.11 1z34A1 ILE 86 H 0.01 0.72 0.26 -0.55 8.25 8.70 1z34A1 ILE 86 HA 0.05 0.11 1.06 -0.75 4.18 4.65 1z34A1 ILE 86 HB -0.02 0.01 0.04 -0.04 1.89 1.88 1z34A1 ILE 86 HG12 0.00 -0.05 -0.22 -0.04 1.49 1.18 1z34A1 ILE 86 HG13 0.01 -0.04 -0.45 -0.04 1.21 0.69 1z34A1 ILE 86 HG23 -0.04 -0.01 -0.30 -0.04 0.93 0.54 1z34A1 ILE 86 HD13 -0.03 0.02 -0.18 -0.04 0.88 0.65 1z34A1 ARG 87 H 0.07 0.61 0.32 -0.55 8.46 8.91 1z34A1 ARG 87 HA 0.06 0.23 0.83 -0.75 4.34 4.71 1z34A1 ARG 87 HB2 0.02 -0.02 0.06 -0.04 1.90 1.92 1z34A1 ARG 87 HB3 0.05 -0.08 0.24 -0.04 1.80 1.96 1z34A1 ARG 87 HG2 0.06 0.06 -0.30 -0.04 1.67 1.45 1z34A1 ARG 87 HG3 0.19 0.09 -0.04 -0.04 1.67 1.87 1z34A1 ARG 87 HD2 -0.09 -0.05 -0.11 -0.04 3.22 2.94 1z34A1 ARG 87 HD3 0.00 -0.06 -0.08 -0.04 3.22 3.04 1z34A1 VAL 88 H 0.01 0.88 0.48 -0.55 8.24 9.06 1z34A1 VAL 88 HA -0.11 0.35 0.99 -0.75 4.13 4.61 1z34A1 VAL 88 HB -0.08 -0.02 -0.00 -0.04 2.12 1.98 1z34A1 VAL 88 HG13 -0.27 -0.01 -0.10 -0.04 0.97 0.55 1z34A1 VAL 88 HG23 -0.12 0.03 -0.20 -0.04 0.95 0.61 1z34A1 GLY 89 H -0.14 0.39 0.32 -0.55 8.43 8.45 1z34A1 GLY 89 HA2 0.09 0.03 0.36 -0.51 4.01 3.98 1z34A1 GLY 89 HA3 0.04 -0.01 0.74 -0.51 4.01 4.28 1z34A1 THR 90 H 0.08 0.08 0.26 -0.55 8.28 8.15 1z34A1 THR 90 HA 0.06 0.36 1.15 -0.75 4.39 5.20 1z34A1 THR 90 HB 0.09 0.00 0.24 -0.04 4.32 4.61 1z34A1 THR 90 HG23 0.17 0.01 -0.02 -0.04 1.22 1.34 1z34A1 CYS 91 H 0.06 0.40 0.35 -0.55 8.50 8.77 1z34A1 CYS 91 HA 0.10 0.13 0.67 -0.75 4.58 4.72 1z34A1 CYS 91 HB2 0.17 0.03 -0.11 -0.04 2.97 3.01 1z34A1 CYS 91 HB3 0.11 0.03 -0.35 -0.04 2.97 2.71 1z34A1 GLY 92 H 0.06 0.63 0.36 -0.55 8.43 8.93 1z34A1 GLY 92 HA2 -0.00 0.24 1.04 -0.51 4.01 4.78 1z34A1 GLY 92 HA3 -0.03 0.03 0.36 -0.51 4.01 3.85 1z34A1 ALA 93 H -0.12 0.58 0.38 -0.55 8.40 8.69 1z34A1 ALA 93 HA -0.11 0.15 0.56 -0.75 4.34 4.18 1z34A1 ALA 93 HB3 -0.33 0.01 -0.06 -0.04 1.41 1.00 1z34A1 ILE 94 H -0.11 0.51 0.15 -0.55 8.25 8.25 1z34A1 ILE 94 HA -0.16 0.06 0.82 -0.75 4.18 4.15 1z34A1 ILE 94 HB 0.04 0.19 -0.24 -0.04 1.89 1.84 1z34A1 ILE 94 HG12 -0.08 -0.02 -0.21 -0.04 1.49 1.14 1z34A1 ILE 94 HG13 -0.04 -0.00 -0.38 -0.04 1.21 0.74 1z34A1 ILE 94 HG23 -0.01 -0.03 -0.29 -0.04 0.93 0.55 1z34A1 ILE 94 HD13 0.01 -0.03 -0.39 -0.04 0.88 0.43 1z34A1 ASP 95 H 0.04 0.28 0.17 -0.55 8.40 8.34 1z34A1 ASP 95 HA 0.11 0.02 0.44 -0.75 4.63 4.44 1z34A1 ASP 95 HB2 0.12 0.30 0.04 -0.04 2.71 3.13 1z34A1 ASP 95 HB3 0.07 -0.09 0.07 -0.04 2.70 2.71 1z34A1 MET 96 H 0.12 0.16 0.21 -0.55 8.47 8.41 1z34A1 MET 96 HA 0.14 0.13 0.40 -0.75 4.52 4.44 1z34A1 MET 96 HB2 0.08 -0.02 0.12 -0.04 2.15 2.29 1z34A1 MET 96 HB3 0.07 0.03 0.02 -0.04 2.03 2.11 1z34A1 MET 96 HG2 0.09 -0.01 0.09 -0.04 2.63 2.76 1z34A1 MET 96 HG3 0.06 0.00 0.04 -0.04 2.56 2.62 1z34A1 MET 96 HE3 -0.06 0.01 -0.08 -0.04 2.10 1.93 1z34A1 ASP 97 H 0.06 0.01 -0.32 -0.55 8.40 7.61 1z34A1 ASP 97 HA -0.01 0.20 0.68 -0.75 4.63 4.74 1z34A1 ASP 97 HB2 0.03 -0.02 -0.01 -0.04 2.71 2.67 1z34A1 ASP 97 HB3 0.03 0.02 0.10 -0.04 2.70 2.81 1z34A1 ILE 98 H -0.05 0.42 -0.40 -0.55 8.25 7.68 1z34A1 ILE 98 HA -0.05 0.10 0.71 -0.75 4.18 4.19 1z34A1 ILE 98 HB -0.02 0.10 0.08 -0.04 1.89 2.01 1z34A1 ILE 98 HG12 0.03 -0.10 -0.12 -0.04 1.49 1.25 1z34A1 ILE 98 HG13 0.04 -0.01 0.04 -0.04 1.21 1.24 1z34A1 ILE 98 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.75 1z34A1 ILE 98 HD13 0.03 0.03 -0.10 -0.04 0.88 0.80 1z34A1 HIS 99 H 0.07 0.16 0.10 -0.55 8.41 8.20 1z34A1 HIS 99 HA 0.19 0.20 0.89 -0.75 4.63 5.15 1z34A1 HIS 99 HB2 0.07 0.02 -0.04 -0.04 3.26 3.27 1z34A1 HIS 99 HB3 0.08 -0.02 0.05 -0.04 3.20 3.26 1z34A1 HIS 99 HD2 0.06 0.02 -0.13 -0.04 6.97 6.87 1z34A1 HIS 99 HE1 0.06 0.01 -0.05 -0.04 7.75 7.74 1z34A1 THR 100 H 0.20 0.12 0.08 -0.55 8.28 8.13 1z34A1 THR 100 HA 0.08 -0.04 0.26 -0.75 4.39 3.94 1z34A1 THR 100 HB 0.07 0.01 0.06 -0.04 4.32 4.42 1z34A1 THR 100 HG23 0.05 0.01 -0.24 -0.04 1.22 1.00 1z34A1 ARG 101 H 0.06 0.69 0.33 -0.55 8.46 8.99 1z34A1 ARG 101 HA 0.06 -0.01 0.37 -0.75 4.34 4.00 1z34A1 ARG 101 HB2 0.06 0.33 0.42 -0.04 1.90 2.66 1z34A1 ARG 101 HB3 0.05 -0.05 0.13 -0.04 1.80 1.89 1z34A1 ARG 101 HG2 0.05 -0.05 -0.16 -0.04 1.67 1.47 1z34A1 ARG 101 HG3 0.05 -0.12 -0.58 -0.04 1.67 0.98 1z34A1 ARG 101 HD2 0.03 -0.08 -0.24 -0.04 3.22 2.89 1z34A1 ARG 101 HD3 0.03 0.06 -0.09 -0.04 3.22 3.18 1z34A1 ASP 102 H 0.07 0.42 -0.24 -0.55 8.40 8.11 1z34A1 ASP 102 HA 0.04 0.12 0.48 -0.75 4.63 4.51 1z34A1 ASP 102 HB2 0.06 0.02 0.11 -0.04 2.71 2.86 1z34A1 ASP 102 HB3 0.04 -0.00 0.00 -0.04 2.70 2.70 1z34A1 ILE 103 H 0.01 0.25 0.24 -0.55 8.25 8.20 1z34A1 ILE 103 HA -0.04 0.24 1.07 -0.75 4.18 4.69 1z34A1 ILE 103 HB -0.02 0.15 0.22 -0.04 1.89 2.19 1z34A1 ILE 103 HG12 -0.05 -0.04 -0.06 -0.04 1.49 1.30 1z34A1 ILE 103 HG13 -0.01 0.03 -0.12 -0.04 1.21 1.08 1z34A1 ILE 103 HG23 -0.08 -0.02 -0.17 -0.04 0.93 0.62 1z34A1 ILE 103 HD13 -0.04 0.03 -0.07 -0.04 0.88 0.76 1z34A1 VAL 104 H -0.08 0.77 0.33 -0.55 8.24 8.72 1z34A1 VAL 104 HA -0.00 0.34 1.17 -0.75 4.13 4.88 1z34A1 VAL 104 HB -0.04 -0.11 -0.08 -0.04 2.12 1.85 1z34A1 VAL 104 HG13 0.23 -0.01 -0.33 -0.04 0.97 0.82 1z34A1 VAL 104 HG23 0.06 -0.00 -0.33 -0.04 0.95 0.63 1z34A1 ILE 105 H 0.01 0.86 0.35 -0.55 8.25 8.92 1z34A1 ILE 105 HA -0.13 0.20 1.04 -0.75 4.18 4.53 1z34A1 ILE 105 HB -0.00 -0.03 0.09 -0.04 1.89 1.91 1z34A1 ILE 105 HG12 -0.08 0.01 -0.13 -0.04 1.49 1.25 1z34A1 ILE 105 HG13 -0.05 -0.05 -0.30 -0.04 1.21 0.77 1z34A1 ILE 105 HG23 -0.03 0.02 -0.11 -0.04 0.93 0.77 1z34A1 ILE 105 HD13 -0.04 0.01 -0.25 -0.04 0.88 0.56 1z34A1 PHE 106 H -0.04 0.47 0.20 -0.55 8.34 8.42 1z34A1 PHE 106 HA 0.07 0.37 0.76 -0.75 4.62 5.06 1z34A1 PHE 106 HB2 0.23 -0.05 0.07 -0.04 3.15 3.36 1z34A1 PHE 106 HB3 0.22 0.02 -0.05 -0.04 3.06 3.20 1z34A1 PHE 106 HD2 0.09 0.06 -0.26 -0.04 7.28 7.13 1z34A1 PHE 106 HE2 0.04 -0.07 -0.23 -0.04 7.38 7.08 1z34A1 PHE 106 HZ 0.05 -0.05 -0.32 -0.04 7.32 6.96 1z34A1 THR 107 H 0.17 0.41 0.23 -0.55 8.28 8.53 1z34A1 THR 107 HA 0.05 0.13 0.58 -0.75 4.39 4.40 1z34A1 THR 107 HB 0.04 0.03 0.02 -0.04 4.32 4.37 1z34A1 THR 107 HG23 0.05 0.02 -0.03 -0.04 1.22 1.22 1z34A1 SER 108 H 0.13 0.17 0.12 -0.55 8.46 8.34 1z34A1 SER 108 HA 0.27 0.09 0.53 -0.75 4.49 4.62 1z34A1 SER 108 HB2 0.11 0.13 0.03 -0.04 3.95 4.18 1z34A1 SER 108 HB3 0.06 0.14 -0.09 -0.04 3.93 3.99 1z34A1 ALA 109 H 0.19 0.75 0.21 -0.55 8.40 9.00 1z34A1 ALA 109 HA -0.05 0.21 0.80 -0.75 4.34 4.54 1z34A1 ALA 109 HB3 -0.15 -0.03 -0.24 -0.04 1.41 0.95 1z34A1 GLY 110 H 0.23 0.58 0.35 -0.55 8.43 9.05 1z34A1 GLY 110 HA2 0.11 0.20 0.77 -0.51 4.01 4.58 1z34A1 GLY 110 HA3 0.35 0.08 0.40 -0.51 4.01 4.32 1z34A1 THR 111 H 0.02 0.38 0.24 -0.55 8.28 8.38 1z34A1 THR 111 HA -1.09 0.12 0.53 -0.75 4.39 3.19 1z34A1 THR 111 HB -0.27 0.05 -0.19 -0.04 4.32 3.87 1z34A1 THR 111 HG23 -0.08 0.04 -0.12 -0.04 1.22 1.03 1z34A1 ASN 112 H -0.26 0.18 0.23 -0.55 8.53 8.13 1z34A1 ASN 112 HA 0.06 0.29 0.87 -0.75 4.76 5.23 1z34A1 ASN 112 HB2 0.07 0.06 0.20 -0.04 2.88 3.18 1z34A1 ASN 112 HB3 0.24 0.06 0.06 -0.04 2.79 3.10 1z34A1 ASN 112 HD21 0.12 -0.18 0.09 -0.04 7.03 7.01 1z34A1 ASN 112 HD22 0.14 0.12 0.04 -0.04 7.74 7.99 1z34A1 SER 113 H -0.10 -0.00 -0.08 -0.55 8.46 7.72 1z34A1 SER 113 HA -0.03 0.16 0.63 -0.75 4.49 4.49 1z34A1 SER 113 HB2 -0.08 0.01 0.07 -0.04 3.95 3.90 1z34A1 SER 113 HB3 -0.09 0.03 0.02 -0.04 3.93 3.85 1z34A1 LYS 114 H -0.02 0.14 0.16 -0.55 8.42 8.15 1z34A1 LYS 114 HA -0.00 0.28 0.83 -0.75 4.32 4.68 1z34A1 LYS 114 HB2 -0.01 0.01 0.08 -0.04 1.87 1.91 1z34A1 LYS 114 HB3 -0.01 0.04 -0.01 -0.04 1.79 1.77 1z34A1 LYS 114 HG2 -0.00 -0.02 0.07 -0.04 1.46 1.46 1z34A1 LYS 114 HG3 0.00 0.06 -0.02 -0.04 1.46 1.47 1z34A1 LYS 114 HD2 -0.00 0.05 -0.01 -0.04 1.69 1.69 1z34A1 LYS 114 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.63 1z34A1 LYS 114 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 1z34A1 LYS 114 HE3 -0.01 0.00 -0.02 -0.04 2.99 2.92 1z34A1 ILE 115 H -0.03 -0.00 -0.06 -0.55 8.25 7.61 1z34A1 ILE 115 HA -0.03 0.13 0.30 -0.75 4.18 3.83 1z34A1 ILE 115 HB -0.06 -0.09 0.02 -0.04 1.89 1.72 1z34A1 ILE 115 HG12 -0.03 0.11 0.00 -0.04 1.49 1.53 1z34A1 ILE 115 HG13 -0.04 -0.13 0.05 -0.04 1.21 1.06 1z34A1 ILE 115 HG23 -0.06 0.05 -0.21 -0.04 0.93 0.67 1z34A1 ILE 115 HD13 -0.05 0.01 -0.11 -0.04 0.88 0.69 1z34A1 ASN 116 H -0.04 0.07 -0.24 -0.55 8.53 7.78 1z34A1 ASN 116 HA -0.09 0.14 0.40 -0.75 4.76 4.45 1z34A1 ASN 116 HB2 0.01 -0.01 0.01 -0.04 2.88 2.84 1z34A1 ASN 116 HB3 -0.00 0.06 0.01 -0.04 2.79 2.82 1z34A1 ASN 116 HD21 -0.09 0.43 0.03 -0.04 7.03 7.37 1z34A1 ASN 116 HD22 -0.02 -0.01 -0.00 -0.04 7.74 7.67 1z34A1 ARG 117 H 0.03 0.10 -0.35 -0.55 8.46 7.68 1z34A1 ARG 117 HA 0.11 0.23 0.42 -0.75 4.34 4.35 1z34A1 ARG 117 HB2 0.02 0.07 0.10 -0.04 1.90 2.05 1z34A1 ARG 117 HB3 0.01 -0.01 0.01 -0.04 1.80 1.77 1z34A1 ARG 117 HG2 0.08 0.22 -0.09 -0.04 1.67 1.84 1z34A1 ARG 117 HG3 0.05 -0.11 -0.01 -0.04 1.67 1.56 1z34A1 ARG 117 HD2 0.02 -0.05 -0.00 -0.04 3.22 3.15 1z34A1 ARG 117 HD3 0.02 0.06 -0.04 -0.04 3.22 3.23 1z34A1 ILE 118 H 0.01 0.41 -0.18 -0.55 8.25 7.93 1z34A1 ILE 118 HA -0.00 0.04 0.40 -0.75 4.18 3.86 1z34A1 ILE 118 HB -0.01 0.10 0.13 -0.04 1.89 2.07 1z34A1 ILE 118 HG12 -0.01 0.00 0.00 -0.04 1.49 1.44 1z34A1 ILE 118 HG13 -0.01 0.10 -0.01 -0.04 1.21 1.26 1z34A1 ILE 118 HG23 -0.01 -0.00 -0.14 -0.04 0.93 0.75 1z34A1 ILE 118 HD13 -0.01 -0.03 -0.07 -0.04 0.88 0.73 1z34A1 ARG 119 H 0.01 0.35 -0.17 -0.55 8.46 8.10 1z34A1 ARG 119 HA 0.03 0.14 0.66 -0.75 4.34 4.41 1z34A1 ARG 119 HB2 -0.01 0.02 0.05 -0.04 1.90 1.91 1z34A1 ARG 119 HB3 -0.02 -0.03 0.05 -0.04 1.80 1.77 1z34A1 ARG 119 HG2 -0.04 0.41 0.18 -0.04 1.67 2.17 1z34A1 ARG 119 HG3 -0.10 0.05 0.04 -0.04 1.67 1.62 1z34A1 ARG 119 HD2 -0.11 -0.13 -0.20 -0.04 3.22 2.74 1z34A1 ARG 119 HD3 -0.20 0.01 -0.10 -0.04 3.22 2.88 1z34A1 PHE 120 H 0.16 0.20 -0.53 -0.55 8.34 7.62 1z34A1 PHE 120 HA 0.07 0.23 0.91 -0.75 4.62 5.09 1z34A1 PHE 120 HB2 0.18 -0.01 -0.09 -0.04 3.15 3.19 1z34A1 PHE 120 HB3 0.13 0.01 0.06 -0.04 3.06 3.22 1z34A1 PHE 120 HD2 0.18 0.02 -0.30 -0.04 7.28 7.14 1z34A1 PHE 120 HE2 0.06 0.07 -0.11 -0.04 7.38 7.35 1z34A1 PHE 120 HZ -0.02 -0.00 -0.03 -0.04 7.32 7.22 1z34A1 MET 121 H -0.01 0.24 -0.25 -0.55 8.47 7.90 1z34A1 MET 121 HA -0.13 0.04 0.30 -0.75 4.52 3.97 1z34A1 MET 121 HB2 -0.32 0.07 -0.19 -0.04 2.15 1.67 1z34A1 MET 121 HB3 -0.28 -0.02 0.18 -0.04 2.03 1.87 1z34A1 MET 121 HG2 -0.07 0.01 0.03 -0.04 2.63 2.55 1z34A1 MET 121 HG3 -0.05 0.02 -0.08 -0.04 2.56 2.40 1z34A1 MET 121 HE3 -0.03 -0.01 0.00 -0.04 2.10 2.03 1z34A1 ASP 122 H -0.08 0.67 -0.10 -0.55 8.40 8.34 1z34A1 ASP 122 HA -0.05 -0.09 0.29 -0.75 4.63 4.03 1z34A1 ASP 122 HB2 -0.11 -0.07 -0.18 -0.04 2.71 2.30 1z34A1 ASP 122 HB3 -0.22 0.16 0.08 -0.04 2.70 2.68 1z34A1 HIS 123 H -0.17 0.53 -0.36 -0.55 8.41 7.87 1z34A1 HIS 123 HA -0.01 0.14 0.83 -0.75 4.63 4.84 1z34A1 HIS 123 HB2 -0.50 0.12 -0.01 -0.04 3.26 2.83 1z34A1 HIS 123 HB3 -0.07 -0.16 0.13 -0.04 3.20 3.05 1z34A1 HIS 123 HD2 -0.47 -0.02 -0.04 -0.04 6.97 6.39 1z34A1 HIS 123 HE1 -0.07 -0.07 -0.01 -0.04 7.75 7.56 1z34A1 ASP 124 H 0.22 0.15 0.08 -0.55 8.40 8.30 1z34A1 ASP 124 HA 0.20 0.08 0.66 -0.75 4.63 4.82 1z34A1 ASP 124 HB2 0.12 0.00 0.16 -0.04 2.71 2.95 1z34A1 ASP 124 HB3 0.11 0.01 -0.06 -0.04 2.70 2.71 1z34A1 TYR 125 H 0.31 0.15 0.07 -0.55 8.29 8.26 1z34A1 TYR 125 HA -0.22 0.23 0.69 -0.75 4.56 4.51 1z34A1 TYR 125 HB2 -0.13 0.10 -0.05 -0.04 3.06 2.93 1z34A1 TYR 125 HB3 -0.05 -0.14 0.03 -0.04 2.98 2.78 1z34A1 TYR 125 HD2 -0.69 -0.07 -0.44 -0.04 7.15 5.91 1z34A1 TYR 125 HE2 -0.20 0.00 -0.11 -0.04 6.85 6.50 1z34A1 PRO 126 HA 0.07 0.06 0.60 -0.51 4.44 4.66 1z34A1 PRO 126 HB2 -0.03 0.01 0.00 -0.04 2.28 2.22 1z34A1 PRO 126 HB3 -0.04 0.03 0.00 -0.04 2.02 1.98 1z34A1 PRO 126 HG2 -0.27 0.01 0.17 -0.04 2.03 1.89 1z34A1 PRO 126 HG3 -0.18 0.06 0.08 -0.04 2.03 1.94 1z34A1 PRO 126 HD2 -1.02 0.09 0.16 -0.04 3.68 2.87 1z34A1 PRO 126 HD3 -0.24 0.27 0.18 -0.04 3.65 3.82 1z34A1 ALA 127 H 0.18 0.25 0.11 -0.55 8.40 8.39 1z34A1 ALA 127 HA 0.32 0.07 0.36 -0.75 4.34 4.33 1z34A1 ALA 127 HB3 0.12 0.07 0.19 -0.04 1.41 1.74 1z34A1 THR 128 H 0.20 0.29 0.27 -0.55 8.28 8.49 1z34A1 THR 128 HA 0.07 0.06 1.02 -0.75 4.39 4.78 1z34A1 THR 128 HB -0.01 -0.02 0.08 -0.04 4.32 4.32 1z34A1 THR 128 HG23 -0.03 0.08 0.02 -0.04 1.22 1.26 1z34A1 ALA 129 H -0.29 0.49 0.12 -0.55 8.40 8.17 1z34A1 ALA 129 HA -1.49 -0.01 0.40 -0.75 4.34 2.48 1z34A1 ALA 129 HB3 -0.40 -0.03 0.04 -0.04 1.41 0.98 1z34A1 SER 130 H -0.26 0.57 0.39 -0.55 8.46 8.61 1z34A1 SER 130 HA -0.05 0.11 0.53 -0.75 4.49 4.33 1z34A1 SER 130 HB2 -0.05 -0.08 0.26 -0.04 3.95 4.04 1z34A1 SER 130 HB3 -0.02 0.02 0.16 -0.04 3.93 4.05 1z34A1 PHE 131 H 0.13 0.22 0.24 -0.55 8.34 8.37 1z34A1 PHE 131 HA -0.06 0.09 0.38 -0.75 4.62 4.27 1z34A1 PHE 131 HB2 -0.04 0.08 0.17 -0.04 3.15 3.31 1z34A1 PHE 131 HB3 -0.04 0.00 0.11 -0.04 3.06 3.10 1z34A1 PHE 131 HD2 -0.03 0.02 -0.04 -0.04 7.28 7.19 1z34A1 PHE 131 HE2 -0.02 0.02 -0.02 -0.04 7.38 7.32 1z34A1 PHE 131 HZ -0.01 0.02 -0.01 -0.04 7.32 7.27 1z34A1 ASP 132 H 0.04 0.12 -0.21 -0.55 8.40 7.80 1z34A1 ASP 132 HA -0.15 0.10 0.42 -0.75 4.63 4.24 1z34A1 ASP 132 HB2 -0.01 -0.04 0.03 -0.04 2.71 2.65 1z34A1 ASP 132 HB3 -0.03 0.08 -0.08 -0.04 2.70 2.62 1z34A1 VAL 133 H -0.07 0.13 -0.26 -0.55 8.24 7.48 1z34A1 VAL 133 HA -0.07 0.10 0.34 -0.75 4.13 3.75 1z34A1 VAL 133 HB -0.08 0.18 0.01 -0.04 2.12 2.19 1z34A1 VAL 133 HG13 -0.03 -0.02 -0.24 -0.04 0.97 0.65 1z34A1 VAL 133 HG23 -0.01 -0.02 -0.16 -0.04 0.95 0.71 1z34A1 VAL 134 H -0.16 0.54 -0.17 -0.55 8.24 7.91 1z34A1 VAL 134 HA -0.09 0.01 0.35 -0.75 4.13 3.65 1z34A1 VAL 134 HB -0.24 0.08 0.10 -0.04 2.12 2.02 1z34A1 VAL 134 HG13 -0.06 -0.02 -0.15 -0.04 0.97 0.70 1z34A1 VAL 134 HG23 -0.07 0.07 -0.06 -0.04 0.95 0.86 1z34A1 CYS 135 H -0.42 0.60 -0.16 -0.55 8.50 7.97 1z34A1 CYS 135 HA -0.24 -0.01 0.40 -0.75 4.58 3.97 1z34A1 CYS 135 HB2 -0.37 0.12 0.18 -0.04 2.97 2.86 1z34A1 CYS 135 HB3 -0.22 -0.02 -0.02 -0.04 2.97 2.67 1z34A1 ALA 136 H -0.14 0.63 -0.14 -0.55 8.40 8.20 1z34A1 ALA 136 HA -0.07 0.02 0.37 -0.75 4.34 3.91 1z34A1 ALA 136 HB3 -0.06 0.03 0.04 -0.04 1.41 1.38 1z34A1 LEU 137 H -0.09 0.54 -0.29 -0.55 8.37 7.99 1z34A1 LEU 137 HA -0.06 0.06 0.37 -0.75 4.35 3.96 1z34A1 LEU 137 HB2 -0.07 0.12 0.12 -0.04 1.64 1.77 1z34A1 LEU 137 HB3 -0.07 -0.08 -0.09 -0.04 1.64 1.37 1z34A1 LEU 137 HG -0.06 0.13 -0.03 -0.04 1.64 1.64 1z34A1 LEU 137 HD13 -0.05 -0.04 -0.18 -0.04 0.93 0.62 1z34A1 LEU 137 HD23 -0.08 -0.00 -0.16 -0.04 0.89 0.61 1z34A1 VAL 138 H -0.08 0.60 -0.10 -0.55 8.24 8.11 1z34A1 VAL 138 HA -0.04 0.03 0.43 -0.75 4.13 3.80 1z34A1 VAL 138 HB -0.07 0.07 0.13 -0.04 2.12 2.20 1z34A1 VAL 138 HG13 -0.03 -0.02 -0.09 -0.04 0.97 0.80 1z34A1 VAL 138 HG23 -0.05 0.07 -0.00 -0.04 0.95 0.93 1z34A1 ASP 139 H -0.06 0.76 -0.05 -0.55 8.40 8.50 1z34A1 ASP 139 HA -0.03 -0.01 0.40 -0.75 4.63 4.24 1z34A1 ASP 139 HB2 -0.04 0.11 0.12 -0.04 2.71 2.86 1z34A1 ASP 139 HB3 -0.02 -0.04 -0.01 -0.04 2.70 2.58 1z34A1 ALA 140 H -0.04 0.61 -0.21 -0.55 8.40 8.21 1z34A1 ALA 140 HA -0.02 0.00 0.36 -0.75 4.34 3.93 1z34A1 ALA 140 HB3 -0.04 0.03 0.08 -0.04 1.41 1.44 1z34A1 ALA 141 H -0.04 0.49 -0.30 -0.55 8.40 8.00 1z34A1 ALA 141 HA -0.03 -0.03 0.38 -0.75 4.34 3.90 1z34A1 ALA 141 HB3 -0.03 0.08 0.11 -0.04 1.41 1.53 1z34A1 LYS 142 H -0.02 0.55 -0.14 -0.55 8.42 8.26 1z34A1 LYS 142 HA -0.01 0.02 0.49 -0.75 4.32 4.06 1z34A1 LYS 142 HB2 -0.01 0.07 0.19 -0.04 1.87 2.08 1z34A1 LYS 142 HB3 -0.01 -0.05 0.00 -0.04 1.79 1.69 1z34A1 LYS 142 HG2 -0.01 -0.05 0.01 -0.04 1.46 1.37 1z34A1 LYS 142 HG3 -0.01 0.13 0.01 -0.04 1.46 1.54 1z34A1 LYS 142 HD2 -0.01 -0.02 -0.09 -0.04 1.69 1.53 1z34A1 LYS 142 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 1z34A1 LYS 142 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.91 1z34A1 LYS 142 HE3 -0.01 -0.00 -0.05 -0.04 2.99 2.89 1z34A1 GLU 143 H -0.01 0.80 0.01 -0.55 8.60 8.85 1z34A1 GLU 143 HA -0.00 0.01 0.44 -0.75 4.29 3.99 1z34A1 GLU 143 HB2 -0.00 0.07 0.13 -0.04 2.09 2.25 1z34A1 GLU 143 HB3 0.00 -0.05 0.00 -0.04 1.99 1.90 1z34A1 GLU 143 HG2 -0.01 0.19 0.04 -0.04 2.34 2.52 1z34A1 GLU 143 HG3 -0.00 -0.05 -0.04 -0.04 2.34 2.21 1z34A1 LEU 144 H -0.01 0.63 -0.14 -0.55 8.37 8.30 1z34A1 LEU 144 HA 0.01 0.04 0.54 -0.75 4.35 4.18 1z34A1 LEU 144 HB2 -0.01 0.05 0.03 -0.04 1.64 1.68 1z34A1 LEU 144 HB3 0.00 -0.08 0.04 -0.04 1.64 1.57 1z34A1 LEU 144 HG 0.00 0.06 -0.00 -0.04 1.64 1.66 1z34A1 LEU 144 HD13 -0.01 -0.02 -0.21 -0.04 0.93 0.65 1z34A1 LEU 144 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 1z34A1 ASN 145 H -0.00 0.09 -0.89 -0.55 8.53 7.19 1z34A1 ASN 145 HA -0.00 0.03 0.31 -0.75 4.76 4.35 1z34A1 ASN 145 HB2 0.00 0.05 -0.15 -0.04 2.88 2.74 1z34A1 ASN 145 HB3 0.00 0.07 0.06 -0.04 2.79 2.89 1z34A1 ASN 145 HD21 0.00 -0.08 0.04 -0.04 7.03 6.95 1z34A1 ASN 145 HD22 0.00 0.00 0.07 -0.04 7.74 7.78 1z34A1 ILE 146 H -0.01 0.60 -0.02 -0.55 8.25 8.27 1z34A1 ILE 146 HA 0.00 0.17 0.84 -0.75 4.18 4.43 1z34A1 ILE 146 HB -0.02 -0.06 0.05 -0.04 1.89 1.82 1z34A1 ILE 146 HG12 0.00 -0.00 -0.08 -0.04 1.49 1.37 1z34A1 ILE 146 HG13 -0.00 0.13 -0.40 -0.04 1.21 0.90 1z34A1 ILE 146 HG23 -0.01 -0.00 -0.17 -0.04 0.93 0.70 1z34A1 ILE 146 HD13 -0.01 -0.04 -0.03 -0.04 0.88 0.76 1z34A1 PRO 147 HA 0.00 0.01 0.40 -0.51 4.44 4.35 1z34A1 PRO 147 HB2 0.02 -0.04 0.08 -0.04 2.28 2.30 1z34A1 PRO 147 HB3 0.01 -0.00 0.06 -0.04 2.02 2.05 1z34A1 PRO 147 HG2 0.01 -0.00 0.08 -0.04 2.03 2.08 1z34A1 PRO 147 HG3 0.01 0.06 0.05 -0.04 2.03 2.11 1z34A1 PRO 147 HD2 0.01 0.04 0.20 -0.04 3.68 3.88 1z34A1 PRO 147 HD3 0.01 0.33 0.28 -0.04 3.65 4.23 1z34A1 ALA 148 H 0.00 0.24 0.23 -0.55 8.40 8.32 1z34A1 ALA 148 HA -0.00 0.15 0.82 -0.75 4.34 4.55 1z34A1 ALA 148 HB3 -0.02 0.01 -0.11 -0.04 1.41 1.24 1z34A1 LYS 149 H 0.01 0.63 0.37 -0.55 8.42 8.87 1z34A1 LYS 149 HA 0.02 0.14 0.86 -0.75 4.32 4.58 1z34A1 LYS 149 HB2 0.04 -0.03 0.11 -0.04 1.87 1.95 1z34A1 LYS 149 HB3 0.04 0.01 -0.04 -0.04 1.79 1.76 1z34A1 LYS 149 HG2 0.03 -0.02 -0.03 -0.04 1.46 1.40 1z34A1 LYS 149 HG3 0.03 0.05 -0.01 -0.04 1.46 1.48 1z34A1 LYS 149 HD2 0.02 -0.14 -0.38 -0.04 1.69 1.15 1z34A1 LYS 149 HD3 0.03 -0.01 -0.00 -0.04 1.68 1.66 1z34A1 LYS 149 HE2 0.05 0.02 -0.02 -0.04 2.99 3.00 1z34A1 LYS 149 HE3 0.03 0.03 -0.08 -0.04 2.99 2.94 1z34A1 VAL 150 H 0.02 0.22 0.23 -0.55 8.24 8.16 1z34A1 VAL 150 HA 0.06 0.30 1.04 -0.75 4.13 4.78 1z34A1 VAL 150 HB 0.02 -0.02 0.15 -0.04 2.12 2.24 1z34A1 VAL 150 HG13 0.03 -0.00 -0.08 -0.04 0.97 0.88 1z34A1 VAL 150 HG23 0.00 0.02 -0.10 -0.04 0.95 0.84 1z34A1 GLY 151 H 0.14 0.59 0.38 -0.55 8.43 8.98 1z34A1 GLY 151 HA2 0.03 0.06 0.41 -0.51 4.01 4.00 1z34A1 GLY 151 HA3 0.04 0.14 0.51 -0.51 4.01 4.19 1z34A1 LYS 152 H -0.07 0.25 0.21 -0.55 8.42 8.26 1z34A1 LYS 152 HA -0.07 0.02 0.57 -0.75 4.32 4.08 1z34A1 LYS 152 HB2 -0.50 0.00 0.10 -0.04 1.87 1.43 1z34A1 LYS 152 HB3 -0.34 0.05 0.03 -0.04 1.79 1.49 1z34A1 LYS 152 HG2 -0.14 -0.03 -0.01 -0.04 1.46 1.25 1z34A1 LYS 152 HG3 -0.18 0.03 0.10 -0.04 1.46 1.37 1z34A1 LYS 152 HD2 -0.45 -0.05 -0.05 -0.04 1.69 1.11 1z34A1 LYS 152 HD3 -0.23 0.04 -0.02 -0.04 1.68 1.43 1z34A1 LYS 152 HE2 -1.55 -0.13 -0.11 -0.04 2.99 1.16 1z34A1 LYS 152 HE3 -0.87 -0.01 -0.06 -0.04 2.99 2.01 1z34A1 GLY 153 H -0.28 0.63 0.49 -0.55 8.43 8.72 1z34A1 GLY 153 HA2 -0.36 0.15 0.99 -0.51 4.01 4.27 1z34A1 GLY 153 HA3 -1.69 -0.03 0.38 -0.51 4.01 2.16 1z34A1 PHE 154 H -0.06 0.44 0.35 -0.55 8.34 8.51 1z34A1 PHE 154 HA -0.05 0.11 0.82 -0.75 4.62 4.75 1z34A1 PHE 154 HB2 -0.17 0.07 -0.18 -0.04 3.15 2.82 1z34A1 PHE 154 HB3 -0.12 0.00 0.02 -0.04 3.06 2.93 1z34A1 PHE 154 HD2 -0.20 -0.02 -0.20 -0.04 7.28 6.82 1z34A1 PHE 154 HE2 -0.14 0.02 -0.21 -0.04 7.38 7.01 1z34A1 PHE 154 HZ -0.11 0.00 -0.19 -0.04 7.32 6.98 1z34A1 SER 155 H -0.63 0.92 0.22 -0.55 8.46 8.42 1z34A1 SER 155 HA -0.19 0.29 0.76 -0.75 4.49 4.60 1z34A1 SER 155 HB2 -0.31 0.10 0.12 -0.04 3.95 3.82 1z34A1 SER 155 HB3 -0.20 -0.03 -0.21 -0.04 3.93 3.45 1z34A1 THR 156 H -0.12 0.58 0.28 -0.55 8.28 8.47 1z34A1 THR 156 HA -0.24 0.02 0.81 -0.75 4.39 4.22 1z34A1 THR 156 HB 0.30 0.05 -0.04 -0.04 4.32 4.59 1z34A1 THR 156 HG23 0.02 0.06 -0.20 -0.04 1.22 1.07 1z34A1 ASP 157 H -0.03 0.15 0.14 -0.55 8.40 8.12 1z34A1 ASP 157 HA -0.02 0.09 0.66 -0.75 4.63 4.60 1z34A1 ASP 157 HB2 -0.01 0.01 0.04 -0.04 2.71 2.70 1z34A1 ASP 157 HB3 0.01 0.10 -0.00 -0.04 2.70 2.76 1z34A1 LEU 158 H 0.04 -0.02 -0.18 -0.55 8.37 7.66 1z34A1 LEU 158 HA 0.08 0.24 0.93 -0.75 4.35 4.84 1z34A1 LEU 158 HB2 0.05 -0.11 0.04 -0.04 1.64 1.58 1z34A1 LEU 158 HB3 0.06 0.10 -0.34 -0.04 1.64 1.42 1z34A1 LEU 158 HG 0.07 0.14 0.01 -0.04 1.64 1.81 1z34A1 LEU 158 HD13 0.06 0.02 -0.12 -0.04 0.93 0.86 1z34A1 LEU 158 HD23 0.04 -0.03 -0.04 -0.04 0.89 0.82 1z34A1 PHE 159 H 0.15 0.22 -0.06 -0.55 8.34 8.10 1z34A1 PHE 159 HA -0.12 0.03 0.28 -0.75 4.62 4.05 1z34A1 PHE 159 HB2 -0.14 -0.01 0.04 -0.04 3.15 3.01 1z34A1 PHE 159 HB3 -0.33 -0.01 0.05 -0.04 3.06 2.74 1z34A1 PHE 159 HD2 -1.08 -0.02 -0.15 -0.04 7.28 5.99 1z34A1 PHE 159 HE2 -0.21 0.00 -0.07 -0.04 7.38 7.07 1z34A1 PHE 159 HZ -0.08 0.02 -0.05 -0.04 7.32 7.17 1z34A1 TYR 160 H 0.17 0.08 -0.25 -0.55 8.29 7.74 1z34A1 TYR 160 HA 0.01 0.16 0.65 -0.75 4.56 4.62 1z34A1 TYR 160 HB2 0.10 -0.03 0.13 -0.04 3.06 3.21 1z34A1 TYR 160 HB3 0.07 0.06 0.00 -0.04 2.98 3.07 1z34A1 TYR 160 HD2 0.12 0.02 -0.02 -0.04 7.15 7.23 1z34A1 TYR 160 HE2 0.12 0.02 -0.04 -0.04 6.85 6.91 1z34A1 ASN 161 H -0.01 0.27 -0.09 -0.55 8.53 8.15 1z34A1 ASN 161 HA 0.05 0.10 0.57 -0.75 4.76 4.73 1z34A1 ASN 161 HB2 -0.03 0.17 0.02 -0.04 2.88 3.00 1z34A1 ASN 161 HB3 -0.02 0.01 -0.01 -0.04 2.79 2.72 1z34A1 ASN 161 HD21 0.01 -0.04 -0.00 -0.04 7.03 6.95 1z34A1 ASN 161 HD22 -0.01 0.03 -0.03 -0.04 7.74 7.69 1z34A1 PRO 162 HA 0.03 0.12 0.40 -0.51 4.44 4.47 1z34A1 PRO 162 HB2 0.02 -0.01 0.01 -0.04 2.28 2.26 1z34A1 PRO 162 HB3 0.02 0.06 0.09 -0.04 2.02 2.15 1z34A1 PRO 162 HG2 0.03 0.03 0.09 -0.04 2.03 2.14 1z34A1 PRO 162 HG3 0.05 0.10 0.08 -0.04 2.03 2.21 1z34A1 PRO 162 HD2 0.03 0.00 0.21 -0.04 3.68 3.88 1z34A1 PRO 162 HD3 0.06 0.31 0.36 -0.04 3.65 4.33 1z34A1 GLN 163 H 0.01 0.10 -0.25 -0.55 8.47 7.77 1z34A1 GLN 163 HA -0.01 0.14 0.61 -0.75 4.36 4.36 1z34A1 GLN 163 HB2 -0.02 -0.02 0.17 -0.04 2.15 2.24 1z34A1 GLN 163 HB3 -0.03 -0.05 0.11 -0.04 2.02 2.02 1z34A1 GLN 163 HG2 -0.00 0.07 -0.01 -0.04 2.40 2.42 1z34A1 GLN 163 HG3 0.00 -0.02 0.03 -0.04 2.39 2.37 1z34A1 GLN 163 HE21 -0.00 0.04 0.01 -0.04 6.97 6.98 1z34A1 GLN 163 HE22 -0.00 0.03 -0.00 -0.04 7.69 7.68 1z34A1 THR 164 H -0.01 0.47 0.12 -0.55 8.28 8.31 1z34A1 THR 164 HA -0.02 0.10 0.30 -0.75 4.39 4.03 1z34A1 THR 164 HB -0.00 0.02 0.09 -0.04 4.32 4.38 1z34A1 THR 164 HG23 0.01 0.07 0.05 -0.04 1.22 1.31 1z34A1 GLU 165 H -0.02 0.07 -0.35 -0.55 8.60 7.75 1z34A1 GLU 165 HA -0.02 0.16 0.57 -0.75 4.29 4.25 1z34A1 GLU 165 HB2 -0.02 -0.01 0.01 -0.04 2.09 2.03 1z34A1 GLU 165 HB3 -0.02 0.02 -0.01 -0.04 1.99 1.94 1z34A1 GLU 165 HG2 -0.01 0.04 0.01 -0.04 2.34 2.34 1z34A1 GLU 165 HG3 -0.01 -0.03 -0.02 -0.04 2.34 2.24 1z34A1 LEU 166 H -0.06 0.39 -0.21 -0.55 8.37 7.94 1z34A1 LEU 166 HA -0.12 0.05 0.33 -0.75 4.35 3.85 1z34A1 LEU 166 HB2 -0.11 -0.00 0.11 -0.04 1.64 1.59 1z34A1 LEU 166 HB3 -0.15 0.09 0.07 -0.04 1.64 1.62 1z34A1 LEU 166 HG -0.47 -0.02 -0.24 -0.04 1.64 0.87 1z34A1 LEU 166 HD13 -0.29 -0.00 -0.00 -0.04 0.93 0.59 1z34A1 LEU 166 HD23 -0.29 -0.01 -0.06 -0.04 0.89 0.50 1z34A1 ALA 167 H -0.10 0.25 -0.27 -0.55 8.40 7.73 1z34A1 ALA 167 HA -0.16 0.00 0.29 -0.75 4.34 3.73 1z34A1 ALA 167 HB3 -0.06 0.05 0.01 -0.04 1.41 1.37 1z34A1 GLN 168 H -0.04 0.23 -0.20 -0.55 8.47 7.92 1z34A1 GLN 168 HA -0.01 0.07 0.44 -0.75 4.36 4.10 1z34A1 GLN 168 HB2 -0.02 0.06 0.14 -0.04 2.15 2.29 1z34A1 GLN 168 HB3 -0.01 0.01 -0.03 -0.04 2.02 1.95 1z34A1 GLN 168 HG2 0.00 -0.00 0.03 -0.04 2.40 2.39 1z34A1 GLN 168 HG3 -0.00 0.02 0.04 -0.04 2.39 2.41 1z34A1 GLN 168 HE21 0.02 0.01 0.01 -0.04 6.97 6.97 1z34A1 GLN 168 HE22 0.02 0.03 0.02 -0.04 7.69 7.72 1z34A1 LEU 169 H -0.05 0.42 -0.21 -0.55 8.37 7.99 1z34A1 LEU 169 HA 0.04 0.05 0.41 -0.75 4.35 4.10 1z34A1 LEU 169 HB2 -0.04 0.08 0.12 -0.04 1.64 1.76 1z34A1 LEU 169 HB3 -0.04 0.01 -0.00 -0.04 1.64 1.56 1z34A1 LEU 169 HG 0.03 -0.00 -0.02 -0.04 1.64 1.61 1z34A1 LEU 169 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.81 1z34A1 LEU 169 HD23 0.25 0.00 0.01 -0.04 0.89 1.12 1z34A1 MET 170 H -0.12 0.67 -0.09 -0.55 8.47 8.37 1z34A1 MET 170 HA 0.07 0.02 0.37 -0.75 4.52 4.23 1z34A1 MET 170 HB2 -0.21 0.15 0.03 -0.04 2.15 2.08 1z34A1 MET 170 HB3 -0.27 -0.10 -0.07 -0.04 2.03 1.56 1z34A1 MET 170 HG2 -0.88 -0.03 -0.06 -0.04 2.63 1.62 1z34A1 MET 170 HG3 -0.51 0.23 -0.05 -0.04 2.56 2.19 1z34A1 MET 170 HE3 -0.50 0.00 -0.23 -0.04 2.10 1.33 1z34A1 ASN 171 H -0.01 0.43 -0.32 -0.55 8.53 8.09 1z34A1 ASN 171 HA 0.05 -0.00 0.37 -0.75 4.76 4.41 1z34A1 ASN 171 HB2 0.03 0.08 -0.01 -0.04 2.88 2.95 1z34A1 ASN 171 HB3 -0.00 0.14 0.16 -0.04 2.79 3.04 1z34A1 ASN 171 HD21 0.02 -0.03 -0.01 -0.04 7.03 6.97 1z34A1 ASN 171 HD22 0.00 0.05 -0.01 -0.04 7.74 7.75 1z34A1 LYS 172 H -0.04 0.44 -0.23 -0.55 8.42 8.04 1z34A1 LYS 172 HA -0.27 0.03 0.43 -0.75 4.32 3.76 1z34A1 LYS 172 HB2 -0.13 0.16 0.17 -0.04 1.87 2.02 1z34A1 LYS 172 HB3 -0.31 -0.04 0.05 -0.04 1.79 1.45 1z34A1 LYS 172 HG2 -0.10 -0.05 0.04 -0.04 1.46 1.31 1z34A1 LYS 172 HG3 -0.06 0.29 0.12 -0.04 1.46 1.76 1z34A1 LYS 172 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.58 1z34A1 LYS 172 HD3 -0.11 -0.02 0.01 -0.04 1.68 1.53 1z34A1 LYS 172 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.89 1z34A1 LYS 172 HE3 -0.03 -0.01 -0.08 -0.04 2.99 2.83 1z34A1 PHE 173 H 0.16 0.29 -0.30 -0.55 8.34 7.93 1z34A1 PHE 173 HA -0.04 0.14 0.67 -0.75 4.62 4.65 1z34A1 PHE 173 HB2 0.27 0.00 0.07 -0.04 3.15 3.45 1z34A1 PHE 173 HB3 0.13 -0.06 0.09 -0.04 3.06 3.18 1z34A1 PHE 173 HD2 0.04 0.10 -0.00 -0.04 7.28 7.37 1z34A1 PHE 173 HE2 0.02 -0.02 -0.03 -0.04 7.38 7.31 1z34A1 PHE 173 HZ 0.02 -0.01 -0.03 -0.04 7.32 7.26 1z34A1 HIS 174 H -0.19 0.24 -0.70 -0.55 8.41 7.22 1z34A1 HIS 174 HA 0.08 0.05 0.32 -0.75 4.63 4.32 1z34A1 HIS 174 HB2 0.00 0.16 -0.07 -0.04 3.26 3.31 1z34A1 HIS 174 HB3 0.01 -0.09 0.16 -0.04 3.20 3.23 1z34A1 HIS 174 HD2 -0.02 -0.01 -0.14 -0.04 6.97 6.76 1z34A1 HIS 174 HE1 -0.00 -0.07 0.02 -0.04 7.75 7.65 1z34A1 PHE 175 H 0.40 0.56 -0.06 -0.55 8.34 8.69 1z34A1 PHE 175 HA 0.04 0.05 0.45 -0.75 4.62 4.40 1z34A1 PHE 175 HB2 -0.03 -0.04 -0.08 -0.04 3.15 2.96 1z34A1 PHE 175 HB3 -0.01 -0.06 -0.20 -0.04 3.06 2.75 1z34A1 PHE 175 HD2 0.04 0.09 -0.23 -0.04 7.28 7.14 1z34A1 PHE 175 HE2 0.01 -0.03 -0.02 -0.04 7.38 7.30 1z34A1 PHE 175 HZ -0.04 0.00 -0.04 -0.04 7.32 7.20 1z34A1 LEU 176 H 0.09 0.66 0.26 -0.55 8.37 8.82 1z34A1 LEU 176 HA 0.09 0.05 0.57 -0.75 4.35 4.31 1z34A1 LEU 176 HB2 0.15 0.19 0.01 -0.04 1.64 1.96 1z34A1 LEU 176 HB3 0.17 -0.06 -0.16 -0.04 1.64 1.54 1z34A1 LEU 176 HG 0.08 -0.04 -0.11 -0.04 1.64 1.53 1z34A1 LEU 176 HD13 0.06 0.00 -0.10 -0.04 0.93 0.85 1z34A1 LEU 176 HD23 0.10 -0.01 -0.40 -0.04 0.89 0.54 1z34A1 ALA 177 H 0.14 0.28 0.15 -0.55 8.40 8.42 1z34A1 ALA 177 HA 0.05 0.18 0.64 -0.75 4.34 4.45 1z34A1 ALA 177 HB3 0.22 0.00 -0.32 -0.04 1.41 1.28 1z34A1 VAL 178 H 0.07 0.68 0.32 -0.55 8.24 8.76 1z34A1 VAL 178 HA 0.13 0.23 1.20 -0.75 4.13 4.93 1z34A1 VAL 178 HB 0.01 -0.00 0.14 -0.04 2.12 2.23 1z34A1 VAL 178 HG13 0.10 -0.00 -0.06 -0.04 0.97 0.96 1z34A1 VAL 178 HG23 0.07 -0.01 -0.17 -0.04 0.95 0.80 1z34A1 GLU 179 H 0.07 0.65 0.44 -0.55 8.60 9.21 1z34A1 GLU 179 HA 0.10 0.19 0.65 -0.75 4.29 4.48 1z34A1 GLU 179 HB2 0.11 -0.19 0.24 -0.04 2.09 2.21 1z34A1 GLU 179 HB3 0.16 0.24 0.11 -0.04 1.99 2.46 1z34A1 GLU 179 HG2 0.38 0.13 -0.14 -0.04 2.34 2.67 1z34A1 GLU 179 HG3 0.37 0.02 -0.21 -0.04 2.34 2.48 1z34A1 MET 180 H 0.05 0.18 0.16 -0.55 8.47 8.31 1z34A1 MET 180 HA -0.06 0.17 1.01 -0.75 4.52 4.89 1z34A1 MET 180 HB2 0.04 -0.07 0.13 -0.04 2.15 2.22 1z34A1 MET 180 HB3 0.00 0.01 0.27 -0.04 2.03 2.27 1z34A1 MET 180 HG2 0.04 0.22 -0.12 -0.04 2.63 2.72 1z34A1 MET 180 HG3 0.09 -0.12 -0.49 -0.04 2.56 2.00 1z34A1 MET 180 HE3 0.06 0.02 -0.10 -0.04 2.10 2.03 1z34A1 GLU 181 H -0.06 -0.04 0.04 -0.55 8.60 7.99 1z34A1 GLU 181 HA -0.14 0.20 0.75 -0.75 4.29 4.35 1z34A1 GLU 181 HB2 -0.17 -0.01 -0.05 -0.04 2.09 1.82 1z34A1 GLU 181 HB3 -0.32 0.10 -0.10 -0.04 1.99 1.62 1z34A1 GLU 181 HG2 -0.46 0.19 -0.16 -0.04 2.34 1.87 1z34A1 GLU 181 HG3 -0.11 0.21 -0.29 -0.04 2.34 2.11 1z34A1 SER 182 H -0.12 0.02 0.04 -0.55 8.46 7.85 1z34A1 SER 182 HA -0.54 0.13 0.25 -0.75 4.49 3.58 1z34A1 SER 182 HB2 -0.17 -0.08 -0.06 -0.04 3.95 3.60 1z34A1 SER 182 HB3 -0.66 0.13 -0.21 -0.04 3.93 3.15 1z34A1 ALA 183 H -0.27 0.01 -0.27 -0.55 8.40 7.32 1z34A1 ALA 183 HA -0.18 0.16 0.29 -0.75 4.34 3.85 1z34A1 ALA 183 HB3 -0.17 0.02 -0.12 -0.04 1.41 1.10 1z34A1 GLY 184 H -0.21 0.21 -0.50 -0.55 8.43 7.40 1z34A1 GLY 184 HA2 -0.11 0.08 0.51 -0.51 4.01 3.98 1z34A1 GLY 184 HA3 -0.12 -0.01 0.22 -0.51 4.01 3.59 1z34A1 LEU 185 H -0.21 0.27 -0.07 -0.55 8.37 7.81 1z34A1 LEU 185 HA 0.02 0.07 0.25 -0.75 4.35 3.94 1z34A1 LEU 185 HB2 -0.16 -0.06 -0.06 -0.04 1.64 1.32 1z34A1 LEU 185 HB3 -0.13 0.00 -0.02 -0.04 1.64 1.45 1z34A1 LEU 185 HG -0.03 -0.00 -0.11 -0.04 1.64 1.45 1z34A1 LEU 185 HD13 0.14 -0.02 -0.12 -0.04 0.93 0.89 1z34A1 LEU 185 HD23 0.19 0.01 -0.14 -0.04 0.89 0.92 1z34A1 PHE 186 H -0.21 0.43 -0.16 -0.55 8.34 7.84 1z34A1 PHE 186 HA 0.05 0.00 0.22 -0.75 4.62 4.14 1z34A1 PHE 186 HB2 0.03 0.00 -0.13 -0.04 3.15 3.01 1z34A1 PHE 186 HB3 0.06 0.25 -0.22 -0.04 3.06 3.11 1z34A1 PHE 186 HD2 0.06 0.02 -0.50 -0.04 7.28 6.81 1z34A1 PHE 186 HE2 0.09 -0.04 -0.40 -0.04 7.38 6.99 1z34A1 PHE 186 HZ 0.18 -0.04 -0.25 -0.04 7.32 7.17 1z34A1 PRO 187 HA -0.00 0.08 0.45 -0.51 4.44 4.46 1z34A1 PRO 187 HB2 -0.28 0.05 -0.05 -0.04 2.28 1.96 1z34A1 PRO 187 HB3 -0.93 0.03 0.01 -0.04 2.02 1.09 1z34A1 PRO 187 HG2 -0.27 0.04 0.02 -0.04 2.03 1.78 1z34A1 PRO 187 HG3 -0.17 -0.03 -0.07 -0.04 2.03 1.72 1z34A1 PRO 187 HD2 -0.06 0.24 -0.37 -0.04 3.68 3.45 1z34A1 PRO 187 HD3 0.09 -0.03 -0.09 -0.04 3.65 3.59 1z34A1 ILE 188 H 0.04 0.35 -0.38 -0.55 8.25 7.71 1z34A1 ILE 188 HA 0.08 0.04 0.41 -0.75 4.18 3.95 1z34A1 ILE 188 HB 0.18 0.14 0.05 -0.04 1.89 2.22 1z34A1 ILE 188 HG12 0.06 -0.03 -0.02 -0.04 1.49 1.45 1z34A1 ILE 188 HG13 0.01 0.17 0.03 -0.04 1.21 1.39 1z34A1 ILE 188 HG23 0.32 -0.01 -0.22 -0.04 0.93 0.97 1z34A1 ILE 188 HD13 0.03 -0.04 -0.03 -0.04 0.88 0.80 1z34A1 ALA 189 H 0.12 0.40 -0.19 -0.55 8.40 8.19 1z34A1 ALA 189 HA -0.66 0.06 0.22 -0.75 4.34 3.21 1z34A1 ALA 189 HB3 0.03 0.02 -0.25 -0.04 1.41 1.17 1z34A1 ASP 190 H 0.03 0.34 -0.26 -0.55 8.40 7.97 1z34A1 ASP 190 HA -0.01 0.07 0.37 -0.75 4.63 4.30 1z34A1 ASP 190 HB2 0.08 0.12 0.16 -0.04 2.71 3.03 1z34A1 ASP 190 HB3 0.06 -0.03 -0.00 -0.04 2.70 2.68 1z34A1 LEU 191 H -0.02 0.46 -0.13 -0.55 8.37 8.14 1z34A1 LEU 191 HA -0.09 -0.01 0.38 -0.75 4.35 3.88 1z34A1 LEU 191 HB2 -0.07 -0.01 0.13 -0.04 1.64 1.65 1z34A1 LEU 191 HB3 -0.09 0.11 0.11 -0.04 1.64 1.73 1z34A1 LEU 191 HG -0.48 0.04 -0.13 -0.04 1.64 1.02 1z34A1 LEU 191 HD13 -0.10 -0.01 0.07 -0.04 0.93 0.84 1z34A1 LEU 191 HD23 -0.12 -0.02 -0.01 -0.04 0.89 0.69 1z34A1 TYR 192 H 0.00 0.37 -0.39 -0.55 8.29 7.71 1z34A1 TYR 192 HA -0.04 0.12 0.71 -0.75 4.56 4.59 1z34A1 TYR 192 HB2 -0.32 0.04 0.05 -0.04 3.06 2.79 1z34A1 TYR 192 HB3 -0.10 0.05 0.09 -0.04 2.98 2.98 1z34A1 TYR 192 HD2 0.01 0.16 -0.03 -0.04 7.15 7.25 1z34A1 TYR 192 HE2 0.04 -0.05 -0.02 -0.04 6.85 6.78 1z34A1 GLY 193 H -0.05 0.52 -0.41 -0.55 8.43 7.94 1z34A1 GLY 193 HA2 -0.03 -0.02 0.37 -0.51 4.01 3.82 1z34A1 GLY 193 HA3 -0.01 -0.05 0.41 -0.51 4.01 3.85 1z34A1 ALA 194 H -0.15 0.50 -0.23 -0.55 8.40 7.97 1z34A1 ALA 194 HA -0.05 0.17 0.86 -0.75 4.34 4.57 1z34A1 ALA 194 HB3 -0.40 0.03 0.07 -0.04 1.41 1.08 1z34A1 ARG 195 H 0.03 0.78 0.38 -0.55 8.46 9.10 1z34A1 ARG 195 HA -0.01 0.14 1.06 -0.75 4.34 4.78 1z34A1 ARG 195 HB2 0.05 0.09 0.10 -0.04 1.90 2.10 1z34A1 ARG 195 HB3 0.02 -0.15 0.05 -0.04 1.80 1.68 1z34A1 ARG 195 HG2 0.00 -0.03 -0.08 -0.04 1.67 1.52 1z34A1 ARG 195 HG3 0.01 0.12 -0.29 -0.04 1.67 1.46 1z34A1 ARG 195 HD2 0.00 -0.19 -0.06 -0.04 3.22 2.93 1z34A1 ARG 195 HD3 0.01 0.03 -0.06 -0.04 3.22 3.17 1z34A1 ALA 196 H 0.00 0.15 0.31 -0.55 8.40 8.32 1z34A1 ALA 196 HA 0.15 0.40 0.84 -0.75 4.34 4.97 1z34A1 ALA 196 HB3 0.31 0.01 -0.08 -0.04 1.41 1.60 1z34A1 GLY 197 H 0.16 0.58 0.44 -0.55 8.43 9.06 1z34A1 GLY 197 HA2 -0.06 0.08 0.64 -0.51 4.01 4.16 1z34A1 GLY 197 HA3 0.01 0.08 0.29 -0.51 4.01 3.88 1z34A1 CYS 198 H 0.12 0.33 0.18 -0.55 8.50 8.58 1z34A1 CYS 198 HA 0.04 0.30 0.89 -0.75 4.58 5.05 1z34A1 CYS 198 HB2 0.27 -0.02 -0.16 -0.04 2.97 3.02 1z34A1 CYS 198 HB3 0.41 -0.05 -0.01 -0.04 2.97 3.28 1z34A1 ILE 199 H -0.12 0.77 0.31 -0.55 8.25 8.66 1z34A1 ILE 199 HA -0.26 0.29 0.97 -0.75 4.18 4.42 1z34A1 ILE 199 HB -0.12 -0.00 -0.10 -0.04 1.89 1.63 1z34A1 ILE 199 HG12 -0.16 -0.04 -0.20 -0.04 1.49 1.04 1z34A1 ILE 199 HG13 -0.14 0.07 -0.10 -0.04 1.21 1.01 1z34A1 ILE 199 HG23 -0.14 -0.00 0.01 -0.04 0.93 0.75 1z34A1 ILE 199 HD13 -0.11 0.02 -0.10 -0.04 0.88 0.65 1z34A1 CYS 200 H -0.28 0.69 0.31 -0.55 8.50 8.68 1z34A1 CYS 200 HA -0.15 0.21 0.94 -0.75 4.58 4.82 1z34A1 CYS 200 HB2 -0.21 -0.06 -0.25 -0.04 2.97 2.41 1z34A1 CYS 200 HB3 -0.06 -0.04 -0.42 -0.04 2.97 2.41 1z34A1 THR 201 H -0.04 0.63 0.44 -0.55 8.28 8.76 1z34A1 THR 201 HA -0.02 0.35 1.01 -0.75 4.39 4.98 1z34A1 THR 201 HB -0.06 0.05 -0.07 -0.04 4.32 4.20 1z34A1 THR 201 HG23 0.12 0.03 0.07 -0.04 1.22 1.40 1z34A1 VAL 202 H 0.03 0.75 0.16 -0.55 8.24 8.63 1z34A1 VAL 202 HA 0.04 0.12 0.58 -0.75 4.13 4.11 1z34A1 VAL 202 HB 0.05 -0.05 0.22 -0.04 2.12 2.30 1z34A1 VAL 202 HG13 0.02 -0.04 -0.18 -0.04 0.97 0.73 1z34A1 VAL 202 HG23 0.03 0.03 -0.17 -0.04 0.95 0.81 1z34A1 SER 203 H 0.06 0.44 0.50 -0.55 8.46 8.92 1z34A1 SER 203 HA 0.08 0.16 0.77 -0.75 4.49 4.74 1z34A1 SER 203 HB2 0.08 0.01 0.16 -0.04 3.95 4.16 1z34A1 SER 203 HB3 0.09 0.00 0.15 -0.04 3.93 4.13 1z34A1 ASP 204 H 0.05 0.22 0.18 -0.55 8.40 8.31 1z34A1 ASP 204 HA 0.09 0.10 0.45 -0.75 4.63 4.51 1z34A1 ASP 204 HB2 0.14 0.23 -0.18 -0.04 2.71 2.87 1z34A1 ASP 204 HB3 0.10 -0.07 -0.14 -0.04 2.70 2.54 1z34A1 HIS 205 H 0.13 0.22 0.19 -0.55 8.41 8.41 1z34A1 HIS 205 HA -0.06 0.12 0.98 -0.75 4.63 4.91 1z34A1 HIS 205 HB2 -0.12 -0.09 0.05 -0.04 3.26 3.07 1z34A1 HIS 205 HB3 -0.32 0.41 0.16 -0.04 3.20 3.40 1z34A1 HIS 205 HD2 -0.13 0.20 0.01 -0.04 6.97 7.01 1z34A1 HIS 205 HE1 -0.10 0.16 -0.13 -0.04 7.75 7.64 1z34A1 ILE 206 H -0.20 0.64 0.17 -0.55 8.25 8.31 1z34A1 ILE 206 HA 0.01 0.12 0.51 -0.75 4.18 4.07 1z34A1 ILE 206 HB -0.07 -0.01 0.09 -0.04 1.89 1.85 1z34A1 ILE 206 HG12 -0.13 0.33 0.14 -0.04 1.49 1.79 1z34A1 ILE 206 HG13 -0.02 0.02 -0.29 -0.04 1.21 0.88 1z34A1 ILE 206 HG23 -0.12 -0.00 -0.07 -0.04 0.93 0.70 1z34A1 ILE 206 HD13 -0.10 -0.03 -0.07 -0.04 0.88 0.64 1z34A1 LEU 207 H 0.55 0.14 -0.18 -0.55 8.37 8.33 1z34A1 LEU 207 HA 0.06 0.17 0.76 -0.75 4.35 4.59 1z34A1 LEU 207 HB2 0.09 0.07 -0.01 -0.04 1.64 1.74 1z34A1 LEU 207 HB3 0.09 -0.00 0.08 -0.04 1.64 1.76 1z34A1 LEU 207 HG 0.11 -0.05 -0.08 -0.04 1.64 1.58 1z34A1 LEU 207 HD13 0.12 0.05 -0.04 -0.04 0.93 1.01 1z34A1 LEU 207 HD23 0.03 -0.02 -0.14 -0.04 0.89 0.72 1z34A1 HIS 208 H -0.05 0.12 -0.47 -0.55 8.41 7.47 1z34A1 HIS 208 HA 0.05 0.01 0.34 -0.75 4.63 4.27 1z34A1 HIS 208 HB2 -0.01 0.03 0.01 -0.04 3.26 3.24 1z34A1 HIS 208 HB3 -0.04 0.24 0.08 -0.04 3.20 3.43 1z34A1 HIS 208 HD2 -0.23 0.03 -0.20 -0.04 6.97 6.52 1z34A1 HIS 208 HE1 -0.04 -0.02 -0.03 -0.04 7.75 7.62 1z34A1 HIS 209 H 0.23 0.12 0.09 -0.55 8.41 8.30 1z34A1 HIS 209 HA 0.09 -0.01 0.58 -0.75 4.63 4.53 1z34A1 HIS 209 HB2 0.06 0.00 0.13 -0.04 3.26 3.43 1z34A1 HIS 209 HB3 0.07 -0.00 0.14 -0.04 3.20 3.36 1z34A1 HIS 209 HD2 0.05 -0.03 -0.07 -0.04 6.97 6.88 1z34A1 HIS 209 HE1 0.06 -0.01 0.06 -0.04 7.75 7.82 1z34A1 GLU 210 H -0.23 0.06 0.19 -0.55 8.60 8.08 1z34A1 GLU 210 HA -0.04 0.28 0.71 -0.75 4.29 4.48 1z34A1 GLU 210 HB2 0.00 -0.08 0.14 -0.04 2.09 2.12 1z34A1 GLU 210 HB3 0.02 0.06 0.09 -0.04 1.99 2.12 1z34A1 GLU 210 HG2 0.22 0.08 -0.10 -0.04 2.34 2.51 1z34A1 GLU 210 HG3 0.19 0.13 -0.07 -0.04 2.34 2.55 1z34A1 GLU 216 HA 0.03 0.01 0.26 -0.75 4.29 3.83 1z34A1 GLU 216 HB2 0.03 0.05 0.04 -0.04 2.09 2.16 1z34A1 GLU 216 HB3 0.02 0.05 0.12 -0.04 1.99 2.13 1z34A1 GLU 216 HG2 0.03 -0.16 0.36 -0.04 2.34 2.53 1z34A1 GLU 216 HG3 0.02 0.06 0.60 -0.04 2.34 2.98 1z34A1 ARG 217 H 0.03 0.25 0.20 -0.55 8.46 8.38 1z34A1 ARG 217 HA 0.06 0.14 0.54 -0.75 4.34 4.33 1z34A1 ARG 217 HB2 0.06 -0.00 0.11 -0.04 1.90 2.02 1z34A1 ARG 217 HB3 0.04 0.05 0.14 -0.04 1.80 2.00 1z34A1 ARG 217 HG2 0.02 0.03 0.16 -0.04 1.67 1.84 1z34A1 ARG 217 HG3 0.01 -0.00 -0.13 -0.04 1.67 1.51 1z34A1 ARG 217 HD2 -0.00 0.01 0.02 -0.04 3.22 3.21 1z34A1 ARG 217 HD3 0.01 -0.02 0.01 -0.04 3.22 3.18 1z34A1 GLN 218 H 0.04 0.19 -0.10 -0.55 8.47 8.05 1z34A1 GLN 218 HA 0.08 0.10 0.51 -0.75 4.36 4.30 1z34A1 GLN 218 HB2 0.03 0.04 0.10 -0.04 2.15 2.28 1z34A1 GLN 218 HB3 0.05 0.06 -0.06 -0.04 2.02 2.03 1z34A1 GLN 218 HG2 -0.01 -0.05 0.01 -0.04 2.40 2.31 1z34A1 GLN 218 HG3 -0.00 0.06 0.02 -0.04 2.39 2.42 1z34A1 GLN 218 HE21 -0.05 0.02 -0.03 -0.04 6.97 6.87 1z34A1 GLN 218 HE22 -0.02 0.03 -0.02 -0.04 7.69 7.64 1z34A1 ASN 219 H 0.05 0.16 -0.15 -0.55 8.53 8.05 1z34A1 ASN 219 HA 0.07 0.07 0.34 -0.75 4.76 4.48 1z34A1 ASN 219 HB2 0.04 0.11 0.10 -0.04 2.88 3.09 1z34A1 ASN 219 HB3 0.04 0.07 -0.02 -0.04 2.79 2.83 1z34A1 ASN 219 HD21 0.02 0.01 0.03 -0.04 7.03 7.05 1z34A1 ASN 219 HD22 0.03 0.04 0.03 -0.04 7.74 7.80 1z34A1 SER 220 H 0.07 0.28 -0.33 -0.55 8.46 7.93 1z34A1 SER 220 HA 0.03 0.10 0.40 -0.75 4.49 4.26 1z34A1 SER 220 HB2 0.05 0.06 0.16 -0.04 3.95 4.19 1z34A1 SER 220 HB3 0.08 0.01 0.10 -0.04 3.93 4.07 1z34A1 PHE 221 H 0.21 0.35 -0.25 -0.55 8.34 8.09 1z34A1 PHE 221 HA -0.01 -0.00 0.43 -0.75 4.62 4.29 1z34A1 PHE 221 HB2 0.01 0.09 0.16 -0.04 3.15 3.37 1z34A1 PHE 221 HB3 0.02 0.07 0.17 -0.04 3.06 3.28 1z34A1 PHE 221 HD2 0.02 0.04 -0.17 -0.04 7.28 7.13 1z34A1 PHE 221 HE2 -0.00 -0.04 -0.08 -0.04 7.38 7.22 1z34A1 PHE 221 HZ -0.03 -0.02 -0.09 -0.04 7.32 7.14 1z34A1 GLN 222 H 0.19 0.78 -0.09 -0.55 8.47 8.81 1z34A1 GLN 222 HA 0.21 0.01 0.43 -0.75 4.36 4.25 1z34A1 GLN 222 HB2 0.11 0.08 0.08 -0.04 2.15 2.38 1z34A1 GLN 222 HB3 0.18 -0.01 0.01 -0.04 2.02 2.16 1z34A1 GLN 222 HG2 0.26 -0.05 -0.03 -0.04 2.40 2.55 1z34A1 GLN 222 HG3 0.18 0.30 -0.00 -0.04 2.39 2.83 1z34A1 GLN 222 HE21 0.03 0.00 -0.05 -0.04 6.97 6.91 1z34A1 GLN 222 HE22 0.07 -0.00 -0.05 -0.04 7.69 7.67 1z34A1 ASN 223 H 0.03 0.58 -0.18 -0.55 8.53 8.41 1z34A1 ASN 223 HA 0.00 0.04 0.46 -0.75 4.76 4.51 1z34A1 ASN 223 HB2 -0.00 0.11 0.18 -0.04 2.88 3.13 1z34A1 ASN 223 HB3 -0.02 -0.02 -0.02 -0.04 2.79 2.70 1z34A1 ASN 223 HD21 0.02 -0.04 -0.03 -0.04 7.03 6.94 1z34A1 ASN 223 HD22 0.02 -0.01 -0.04 -0.04 7.74 7.66 1z34A1 MET 224 H -0.11 0.48 -0.23 -0.55 8.47 8.05 1z34A1 MET 224 HA -0.14 0.04 0.36 -0.75 4.52 4.03 1z34A1 MET 224 HB2 -0.18 0.02 0.01 -0.04 2.15 1.96 1z34A1 MET 224 HB3 -0.37 0.15 0.15 -0.04 2.03 1.91 1z34A1 MET 224 HG2 -0.30 -0.02 -0.44 -0.04 2.63 1.82 1z34A1 MET 224 HG3 -0.21 -0.05 -0.17 -0.04 2.56 2.09 1z34A1 MET 224 HE3 -1.10 -0.01 -0.01 -0.04 2.10 0.94 1z34A1 MET 225 H -0.28 0.52 -0.19 -0.55 8.47 7.97 1z34A1 MET 225 HA -0.36 -0.04 0.38 -0.75 4.52 3.74 1z34A1 MET 225 HB2 -0.29 0.14 0.13 -0.04 2.15 2.08 1z34A1 MET 225 HB3 -0.87 -0.01 -0.03 -0.04 2.03 1.08 1z34A1 MET 225 HG2 -0.58 0.21 0.03 -0.04 2.63 2.26 1z34A1 MET 225 HG3 -0.17 -0.03 -0.04 -0.04 2.56 2.27 1z34A1 MET 225 HE3 -0.42 0.00 -0.04 -0.04 2.10 1.60 1z34A1 LYS 226 H -0.12 0.45 -0.35 -0.55 8.42 7.85 1z34A1 LYS 226 HA -0.08 0.01 0.38 -0.75 4.32 3.88 1z34A1 LYS 226 HB2 -0.03 0.19 0.17 -0.04 1.87 2.16 1z34A1 LYS 226 HB3 0.00 -0.03 -0.03 -0.04 1.79 1.70 1z34A1 LYS 226 HG2 0.09 -0.05 0.02 -0.04 1.46 1.47 1z34A1 LYS 226 HG3 0.06 0.22 0.07 -0.04 1.46 1.77 1z34A1 LYS 226 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.66 1z34A1 LYS 226 HD3 0.04 0.01 -0.01 -0.04 1.68 1.68 1z34A1 LYS 226 HE2 0.05 -0.01 -0.03 -0.04 2.99 2.96 1z34A1 LYS 226 HE3 0.08 -0.01 -0.02 -0.04 2.99 3.00 1z34A1 ILE 227 H -0.10 0.49 -0.18 -0.55 8.25 7.91 1z34A1 ILE 227 HA -0.06 0.02 0.28 -0.75 4.18 3.67 1z34A1 ILE 227 HB -0.11 0.08 0.12 -0.04 1.89 1.95 1z34A1 ILE 227 HG12 -0.04 -0.03 -0.14 -0.04 1.49 1.23 1z34A1 ILE 227 HG13 -0.06 0.17 0.03 -0.04 1.21 1.32 1z34A1 ILE 227 HG23 -0.07 -0.03 -0.14 -0.04 0.93 0.64 1z34A1 ILE 227 HD13 -0.05 -0.02 -0.10 -0.04 0.88 0.67 1z34A1 ALA 228 H -0.16 0.60 -0.13 -0.55 8.40 8.16 1z34A1 ALA 228 HA -0.11 -0.02 0.30 -0.75 4.34 3.75 1z34A1 ALA 228 HB3 -0.18 0.00 0.01 -0.04 1.41 1.20 1z34A1 LEU 229 H -0.25 0.67 -0.19 -0.55 8.37 8.05 1z34A1 LEU 229 HA -0.30 -0.00 0.37 -0.75 4.35 3.67 1z34A1 LEU 229 HB2 -0.39 0.13 0.15 -0.04 1.64 1.50 1z34A1 LEU 229 HB3 -1.16 -0.03 -0.06 -0.04 1.64 0.35 1z34A1 LEU 229 HG -0.43 -0.03 0.01 -0.04 1.64 1.15 1z34A1 LEU 229 HD13 -0.55 -0.01 -0.11 -0.04 0.93 0.22 1z34A1 LEU 229 HD23 -0.56 -0.02 -0.09 -0.04 0.89 0.19 1z34A1 GLU 230 H -0.09 0.73 -0.06 -0.55 8.60 8.63 1z34A1 GLU 230 HA 0.10 0.03 0.43 -0.75 4.29 4.09 1z34A1 GLU 230 HB2 -0.01 0.07 0.11 -0.04 2.09 2.22 1z34A1 GLU 230 HB3 0.03 -0.06 0.03 -0.04 1.99 1.94 1z34A1 GLU 230 HG2 0.04 0.19 0.09 -0.04 2.34 2.62 1z34A1 GLU 230 HG3 0.04 -0.03 -0.02 -0.04 2.34 2.29 1z34A1 ALA 231 H -0.06 0.59 -0.28 -0.55 8.40 8.10 1z34A1 ALA 231 HA -0.03 0.01 0.33 -0.75 4.34 3.90 1z34A1 ALA 231 HB3 -0.06 0.00 -0.11 -0.04 1.41 1.20 1z34A1 ALA 232 H -0.06 0.56 -0.22 -0.55 8.40 8.14 1z34A1 ALA 232 HA -0.01 -0.08 0.29 -0.75 4.34 3.78 1z34A1 ALA 232 HB3 -0.05 0.03 0.02 -0.04 1.41 1.38 1z34A1 ILE 233 H 0.03 0.33 -0.39 -0.55 8.25 7.68 1z34A1 ILE 233 HA 0.06 0.06 0.40 -0.75 4.18 3.95 1z34A1 ILE 233 HB 0.08 0.12 0.15 -0.04 1.89 2.20 1z34A1 ILE 233 HG12 0.23 0.14 0.02 -0.04 1.49 1.85 1z34A1 ILE 233 HG13 0.24 -0.10 -0.02 -0.04 1.21 1.29 1z34A1 ILE 233 HG23 0.05 -0.03 -0.12 -0.04 0.93 0.79 1z34A1 ILE 233 HD13 0.16 0.03 -0.00 -0.04 0.88 1.02 1z34A1 LYS 234 H 0.01 0.41 -0.12 -0.55 8.42 8.17 1z34A1 LYS 234 HA 0.01 -0.03 0.36 -0.75 4.32 3.90 1z34A1 LYS 234 HB2 -0.01 0.11 0.15 -0.04 1.87 2.08 1z34A1 LYS 234 HB3 -0.01 -0.12 -0.00 -0.04 1.79 1.62 1z34A1 LYS 234 HG2 0.00 -0.06 0.02 -0.04 1.46 1.38 1z34A1 LYS 234 HG3 0.01 0.20 0.04 -0.04 1.46 1.67 1z34A1 LYS 234 HD2 -0.02 0.05 -0.02 -0.04 1.69 1.67 1z34A1 LYS 234 HD3 -0.02 -0.07 -0.01 -0.04 1.68 1.54 1z34A1 LYS 234 HE2 -0.01 -0.09 -0.20 -0.04 2.99 2.65 1z34A1 LYS 234 HE3 -0.01 -0.02 -0.06 -0.04 2.99 2.86 1z34A1 LEU 235 H 0.00 0.39 -0.51 -0.55 8.37 7.71 1z34A1 LEU 235 HA 0.00 0.04 0.32 -0.75 4.35 3.96 1z34A1 LEU 235 HB2 0.01 0.15 0.01 -0.04 1.64 1.76 1z34A1 LEU 235 HB3 0.01 -0.08 -0.04 -0.04 1.64 1.49 1z34A1 LEU 235 HG -0.02 0.12 -0.12 -0.04 1.64 1.58 1z34A1 LEU 235 HD13 -0.02 -0.04 -0.20 -0.04 0.93 0.64 1z34A1 LEU 235 HD23 -0.02 -0.01 -0.24 -0.04 0.89 0.57