============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 40 1.000 40.396 18.654 48.090 -99.200 -91.000 TYR 55 0.840 39.934 7.196 27.906 -99.200 -91.000 HIS 61 0.900 49.309 19.441 40.669 -99.200 -91.000 PHE 79 1.000 31.146 18.209 27.847 -99.200 -91.000 TYR 119 0.840 61.682 29.631 19.046 -99.200 -91.000 PHE 127 1.000 49.676 33.789 38.894 -99.200 -91.000 PHE 146 1.000 60.733 15.386 35.097 -99.200 -91.000 PHE 188 1.000 62.311 20.655 36.755 -99.200 -91.000 TYR 205 0.840 47.887 -3.020 32.875 -99.200 -91.000 PHE 237 1.000 78.709 -10.610 42.218 -99.200 -91.000 PHE 269 1.000 73.160 -5.305 49.102 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mh4A1 GLN 11 HA -0.00 -0.05 0.12 -0.75 4.36 3.67 3mh4A1 GLN 11 HB2 -0.00 0.07 0.09 -0.04 2.15 2.26 3mh4A1 GLN 11 HB3 -0.00 -0.06 0.13 -0.04 2.02 2.04 3mh4A1 GLN 11 HG2 -0.00 -0.01 0.03 -0.04 2.40 2.38 3mh4A1 GLN 11 HG3 -0.00 -0.01 0.04 -0.04 2.39 2.38 3mh4A1 GLN 11 HE21 -0.00 -0.00 -0.00 -0.04 6.97 6.92 3mh4A1 GLN 11 HE22 -0.00 -0.01 0.01 -0.04 7.69 7.65 3mh4A1 MET 12 H -0.01 0.03 0.08 -0.55 8.47 8.02 3mh4A1 MET 12 HA -0.01 0.11 0.53 -0.75 4.52 4.40 3mh4A1 MET 12 HB2 -0.01 -0.06 0.09 -0.04 2.15 2.13 3mh4A1 MET 12 HB3 -0.01 0.11 0.02 -0.04 2.03 2.11 3mh4A1 MET 12 HG2 -0.01 0.03 0.04 -0.04 2.63 2.65 3mh4A1 MET 12 HG3 -0.00 -0.05 0.03 -0.04 2.56 2.48 3mh4A1 MET 12 HE3 -0.00 -0.01 0.02 -0.04 2.10 2.07 3mh4A1 PRO 13 HA -0.02 0.07 0.56 -0.51 4.44 4.54 3mh4A1 PRO 13 HB2 -0.04 -0.03 -0.00 -0.04 2.28 2.17 3mh4A1 PRO 13 HB3 -0.04 0.02 0.10 -0.04 2.02 2.06 3mh4A1 PRO 13 HG2 -0.02 0.00 0.10 -0.04 2.03 2.07 3mh4A1 PRO 13 HG3 -0.02 0.08 0.12 -0.04 2.03 2.16 3mh4A1 PRO 13 HD2 -0.01 0.05 0.23 -0.04 3.68 3.90 3mh4A1 PRO 13 HD3 -0.01 0.19 0.28 -0.04 3.65 4.07 3mh4A1 SER 14 H -0.02 0.28 0.23 -0.55 8.46 8.40 3mh4A1 SER 14 HA -0.02 0.13 0.54 -0.75 4.49 4.39 3mh4A1 SER 14 HB2 -0.01 0.14 0.05 -0.04 3.95 4.09 3mh4A1 SER 14 HB3 -0.01 0.11 -0.09 -0.04 3.93 3.90 3mh4A1 LEU 15 H -0.02 0.20 0.13 -0.55 8.37 8.13 3mh4A1 LEU 15 HA -0.02 0.17 0.75 -0.75 4.35 4.51 3mh4A1 LEU 15 HB2 -0.01 0.04 0.02 -0.04 1.64 1.65 3mh4A1 LEU 15 HB3 -0.01 0.01 0.05 -0.04 1.64 1.66 3mh4A1 LEU 15 HG -0.03 -0.05 -0.04 -0.04 1.64 1.48 3mh4A1 LEU 15 HD13 -0.01 0.02 -0.04 -0.04 0.93 0.85 3mh4A1 LEU 15 HD23 -0.03 0.02 -0.05 -0.04 0.89 0.78 3mh4A1 ALA 16 H -0.01 0.07 -0.17 -0.55 8.40 7.75 3mh4A1 ALA 16 HA -0.00 0.04 0.16 -0.75 4.34 3.78 3mh4A1 ALA 16 HB3 -0.00 0.03 0.04 -0.04 1.41 1.44 3mh4A1 PRO 17 HA -0.00 0.07 0.40 -0.51 4.44 4.40 3mh4A1 PRO 17 HB2 -0.01 -0.04 0.07 -0.04 2.28 2.26 3mh4A1 PRO 17 HB3 -0.00 0.06 0.03 -0.04 2.02 2.07 3mh4A1 PRO 17 HG2 -0.01 0.12 0.02 -0.04 2.03 2.12 3mh4A1 PRO 17 HG3 -0.01 0.06 0.03 -0.04 2.03 2.08 3mh4A1 PRO 17 HD2 -0.01 0.02 -0.40 -0.04 3.68 3.25 3mh4A1 PRO 17 HD3 -0.00 0.11 0.01 -0.04 3.65 3.72 3mh4A1 MET 18 H -0.01 0.20 -0.10 -0.55 8.47 8.02 3mh4A1 MET 18 HA -0.00 0.08 0.41 -0.75 4.52 4.25 3mh4A1 MET 18 HB2 -0.00 0.03 -0.01 -0.04 2.15 2.13 3mh4A1 MET 18 HB3 -0.00 -0.00 0.12 -0.04 2.03 2.10 3mh4A1 MET 18 HG2 -0.00 0.08 0.02 -0.04 2.63 2.68 3mh4A1 MET 18 HG3 -0.00 0.06 0.05 -0.04 2.56 2.63 3mh4A1 MET 18 HE3 0.01 -0.00 -0.14 -0.04 2.10 1.92 3mh4A1 LEU 19 H -0.00 0.59 -0.24 -0.55 8.37 8.17 3mh4A1 LEU 19 HA 0.00 -0.03 0.34 -0.75 4.35 3.91 3mh4A1 LEU 19 HB2 0.00 0.19 -0.07 -0.04 1.64 1.72 3mh4A1 LEU 19 HB3 0.00 0.07 -0.02 -0.04 1.64 1.65 3mh4A1 LEU 19 HG 0.01 0.00 -0.05 -0.04 1.64 1.56 3mh4A1 LEU 19 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.82 3mh4A1 LEU 19 HD23 0.00 -0.02 -0.13 -0.04 0.89 0.70 3mh4A1 GLU 20 H 0.00 0.59 -0.22 -0.55 8.60 8.42 3mh4A1 GLU 20 HA 0.00 0.02 0.52 -0.75 4.29 4.08 3mh4A1 GLU 20 HB2 0.00 0.16 0.11 -0.04 2.09 2.32 3mh4A1 GLU 20 HB3 0.00 -0.05 0.09 -0.04 1.99 1.99 3mh4A1 GLU 20 HG2 0.00 -0.05 -0.02 -0.04 2.34 2.23 3mh4A1 GLU 20 HG3 0.00 0.28 -0.03 -0.04 2.34 2.55 3mh4A1 LYS 21 H 0.00 0.35 -0.35 -0.55 8.42 7.87 3mh4A1 LYS 21 HA 0.00 0.11 0.78 -0.75 4.32 4.45 3mh4A1 LYS 21 HB2 0.00 0.14 0.19 -0.04 1.87 2.16 3mh4A1 LYS 21 HB3 0.00 -0.04 0.08 -0.04 1.79 1.79 3mh4A1 LYS 21 HG2 0.00 -0.03 0.03 -0.04 1.46 1.42 3mh4A1 LYS 21 HG3 0.00 0.03 -0.05 -0.04 1.46 1.40 3mh4A1 LYS 21 HD2 0.00 0.01 0.01 -0.04 1.69 1.67 3mh4A1 LYS 21 HD3 0.00 -0.05 -0.01 -0.04 1.68 1.58 3mh4A1 LYS 21 HE2 -0.00 -0.01 -0.13 -0.04 2.99 2.80 3mh4A1 LYS 21 HE3 -0.00 0.01 -0.04 -0.04 2.99 2.92 3mh4A1 VAL 22 H 0.00 0.25 -0.11 -0.55 8.24 7.83 3mh4A1 VAL 22 HA 0.00 0.13 0.66 -0.75 4.13 4.17 3mh4A1 VAL 22 HB 0.00 0.03 0.07 -0.04 2.12 2.19 3mh4A1 VAL 22 HG13 0.00 -0.03 -0.17 -0.04 0.97 0.73 3mh4A1 VAL 22 HG23 0.00 0.09 -0.01 -0.04 0.95 0.99 3mh4A1 MET 23 H 0.00 0.50 0.01 -0.55 8.47 8.43 3mh4A1 MET 23 HA 0.01 -0.05 0.23 -0.75 4.52 3.95 3mh4A1 MET 23 HB2 0.01 0.08 0.14 -0.04 2.15 2.34 3mh4A1 MET 23 HB3 0.01 -0.04 -0.01 -0.04 2.03 1.94 3mh4A1 MET 23 HG2 0.01 0.24 0.06 -0.04 2.63 2.89 3mh4A1 MET 23 HG3 0.01 -0.05 -0.02 -0.04 2.56 2.46 3mh4A1 MET 23 HE3 0.01 -0.00 -0.02 -0.04 2.10 2.05 3mh4A1 PRO 24 HA 0.01 -0.05 0.49 -0.51 4.44 4.38 3mh4A1 PRO 24 HB2 0.00 0.05 -0.04 -0.04 2.28 2.25 3mh4A1 PRO 24 HB3 0.00 -0.03 0.05 -0.04 2.02 2.01 3mh4A1 PRO 24 HG2 0.00 0.14 -0.05 -0.04 2.03 2.08 3mh4A1 PRO 24 HG3 0.01 0.00 0.02 -0.04 2.03 2.02 3mh4A1 PRO 24 HD2 0.00 0.00 -0.93 -0.04 3.68 2.71 3mh4A1 PRO 24 HD3 0.01 0.12 -0.06 -0.04 3.65 3.67 3mh4A1 SER 25 H -0.00 0.39 -0.21 -0.55 8.46 8.10 3mh4A1 SER 25 HA -0.01 0.18 0.46 -0.75 4.49 4.36 3mh4A1 SER 25 HB2 -0.00 -0.04 -0.02 -0.04 3.95 3.85 3mh4A1 SER 25 HB3 -0.01 -0.05 0.08 -0.04 3.93 3.91 3mh4A1 VAL 26 H 0.00 0.32 -0.46 -0.55 8.24 7.56 3mh4A1 VAL 26 HA -0.00 0.17 1.05 -0.75 4.13 4.59 3mh4A1 VAL 26 HB 0.01 0.12 0.11 -0.04 2.12 2.31 3mh4A1 VAL 26 HG13 0.01 -0.03 -0.01 -0.04 0.97 0.89 3mh4A1 VAL 26 HG23 0.00 0.00 -0.10 -0.04 0.95 0.82 3mh4A1 VAL 27 H 0.00 0.50 0.39 -0.55 8.24 8.58 3mh4A1 VAL 27 HA 0.01 0.23 0.90 -0.75 4.13 4.52 3mh4A1 VAL 27 HB 0.01 0.02 -0.14 -0.04 2.12 1.98 3mh4A1 VAL 27 HG13 -0.02 0.01 -0.38 -0.04 0.97 0.53 3mh4A1 VAL 27 HG23 -0.01 -0.01 -0.38 -0.04 0.95 0.52 3mh4A1 SER 28 H 0.03 0.66 0.27 -0.55 8.46 8.87 3mh4A1 SER 28 HA 0.01 0.17 1.03 -0.75 4.49 4.95 3mh4A1 SER 28 HB2 0.02 -0.05 0.03 -0.04 3.95 3.90 3mh4A1 SER 28 HB3 0.03 0.08 0.17 -0.04 3.93 4.17 3mh4A1 ILE 29 H 0.01 0.49 0.12 -0.55 8.25 8.31 3mh4A1 ILE 29 HA 0.02 0.34 0.98 -0.75 4.18 4.76 3mh4A1 ILE 29 HB -0.00 -0.10 -0.13 -0.04 1.89 1.61 3mh4A1 ILE 29 HG12 0.01 0.06 -0.30 -0.04 1.49 1.21 3mh4A1 ILE 29 HG13 0.00 -0.07 -0.55 -0.04 1.21 0.55 3mh4A1 ILE 29 HG23 0.00 -0.01 -0.32 -0.04 0.93 0.56 3mh4A1 ILE 29 HD13 -0.01 0.01 -0.36 -0.04 0.88 0.48 3mh4A1 ASN 30 H 0.01 0.73 0.29 -0.55 8.53 9.01 3mh4A1 ASN 30 HA 0.01 0.23 1.12 -0.75 4.76 5.36 3mh4A1 ASN 30 HB2 0.00 -0.08 0.19 -0.04 2.88 2.95 3mh4A1 ASN 30 HB3 -0.00 0.05 0.05 -0.04 2.79 2.85 3mh4A1 ASN 30 HD21 0.02 -0.00 -0.13 -0.04 7.03 6.88 3mh4A1 ASN 30 HD22 0.01 -0.04 -0.10 -0.04 7.74 7.58 3mh4A1 VAL 31 H 0.00 0.53 0.19 -0.55 8.24 8.41 3mh4A1 VAL 31 HA -0.03 0.15 0.87 -0.75 4.13 4.36 3mh4A1 VAL 31 HB 0.03 0.01 0.09 -0.04 2.12 2.21 3mh4A1 VAL 31 HG13 -0.04 -0.03 -0.28 -0.04 0.97 0.58 3mh4A1 VAL 31 HG23 0.01 0.04 -0.13 -0.04 0.95 0.84 3mh4A1 GLU 32 H -0.11 0.67 0.44 -0.55 8.60 9.05 3mh4A1 GLU 32 HA -0.31 0.27 0.93 -0.75 4.29 4.43 3mh4A1 GLU 32 HB2 -0.10 0.04 0.03 -0.04 2.09 2.02 3mh4A1 GLU 32 HB3 -0.10 -0.11 0.26 -0.04 1.99 1.99 3mh4A1 GLU 32 HG2 -0.16 -0.02 -0.02 -0.04 2.34 2.10 3mh4A1 GLU 32 HG3 -0.13 0.11 0.15 -0.04 2.34 2.42 3mh4A1 GLY 33 H -0.95 0.50 0.26 -0.55 8.43 7.69 3mh4A1 GLY 33 HA2 -0.20 -0.02 1.01 -0.51 4.01 4.30 3mh4A1 GLY 33 HA3 -0.48 0.33 0.40 -0.51 4.01 3.75 3mh4A1 SER 34 H 0.08 0.27 0.24 -0.55 8.46 8.51 3mh4A1 SER 34 HA 0.16 0.31 0.97 -0.75 4.49 5.18 3mh4A1 SER 34 HB2 0.03 -0.02 -0.10 -0.04 3.95 3.82 3mh4A1 SER 34 HB3 0.06 -0.02 0.00 -0.04 3.93 3.93 3mh4A1 THR 35 H 0.14 0.40 0.29 -0.55 8.28 8.56 3mh4A1 THR 35 HA 0.07 0.06 0.71 -0.75 4.39 4.49 3mh4A1 THR 35 HB -0.00 0.09 -0.15 -0.04 4.32 4.22 3mh4A1 THR 35 HG23 0.03 0.01 -0.11 -0.04 1.22 1.11 3mh4A1 THR 36 H 0.02 0.11 0.14 -0.55 8.28 8.01 3mh4A1 THR 36 HA 0.02 0.22 0.65 -0.75 4.39 4.53 3mh4A1 THR 36 HB 0.01 -0.04 0.14 -0.04 4.32 4.39 3mh4A1 THR 36 HG23 0.01 -0.01 -0.21 -0.04 1.22 0.97 3mh4A1 VAL 37 H 0.01 0.66 0.42 -0.55 8.24 8.78 3mh4A1 VAL 37 HA -0.00 0.12 0.86 -0.75 4.13 4.36 3mh4A1 VAL 37 HB 0.01 0.02 -0.18 -0.04 2.12 1.93 3mh4A1 VAL 37 HG13 0.02 0.03 -0.14 -0.04 0.97 0.84 3mh4A1 VAL 37 HG23 0.00 0.05 0.02 -0.04 0.95 0.98 3mh4A1 ASN 38 H 0.00 0.11 0.11 -0.55 8.53 8.20 3mh4A1 ASN 38 HA 0.00 0.07 0.59 -0.75 4.76 4.67 3mh4A1 ASN 38 HB2 -0.00 -0.04 0.08 -0.04 2.88 2.89 3mh4A1 ASN 38 HB3 0.00 0.11 -0.06 -0.04 2.79 2.80 3mh4A1 ASN 38 HD21 -0.00 -0.00 0.01 -0.04 7.03 6.99 3mh4A1 ASN 38 HD22 -0.00 -0.01 0.03 -0.04 7.74 7.72 3mh4A1 THR 39 H 0.00 0.17 0.18 -0.55 8.28 8.09 3mh4A1 THR 39 HA 0.01 0.10 0.54 -0.75 4.39 4.29 3mh4A1 THR 39 HB 0.00 -0.04 0.12 -0.04 4.32 4.36 3mh4A1 THR 39 HG23 0.01 0.02 -0.05 -0.04 1.22 1.15 3mh4A1 PRO 40 HA 0.00 -0.00 -1.50 -0.51 4.44 2.43 3mh4A1 PRO 40 HB2 0.01 -0.03 0.08 -0.04 2.28 2.30 3mh4A1 PRO 40 HB3 0.00 0.02 -0.01 -0.04 2.02 1.99 3mh4A1 PRO 40 HG2 0.01 -0.00 0.06 -0.04 2.03 2.06 3mh4A1 PRO 40 HG3 0.01 0.07 0.03 -0.04 2.03 2.09 3mh4A1 PRO 40 HD2 0.01 0.05 0.21 -0.04 3.68 3.91 3mh4A1 PRO 40 HD3 0.01 0.22 0.27 -0.04 3.65 4.11 3mh4A1 ARG 41 H 0.00 0.11 1.66 -0.55 8.46 9.68 3mh4A1 ARG 41 HA 0.00 0.13 0.55 -0.75 4.34 4.26 3mh4A1 ARG 41 HB2 0.00 0.04 -0.02 -0.04 1.90 1.88 3mh4A1 ARG 41 HB3 0.00 -0.05 0.22 -0.04 1.80 1.93 3mh4A1 ARG 41 HG2 0.00 0.07 -0.08 -0.04 1.67 1.62 3mh4A1 ARG 41 HG3 0.00 -0.04 -0.04 -0.04 1.67 1.55 3mh4A1 ARG 41 HD2 0.00 -0.06 -0.06 -0.04 3.22 3.06 3mh4A1 ARG 41 HD3 0.00 0.01 -0.56 -0.04 3.22 2.63 3mh4A1 MET 42 H 0.00 0.24 0.11 -0.55 8.47 8.27 3mh4A1 MET 42 HA 0.00 0.20 0.39 -0.75 4.52 4.36 3mh4A1 MET 42 HB2 0.00 0.03 -0.06 -0.04 2.15 2.09 3mh4A1 MET 42 HB3 0.00 -0.14 0.07 -0.04 2.03 1.92 3mh4A1 MET 42 HG2 0.00 0.16 -0.43 -0.04 2.63 2.32 3mh4A1 MET 42 HG3 0.00 0.07 -0.51 -0.04 2.56 2.08 3mh4A1 MET 42 HE3 0.00 0.01 -0.05 -0.04 2.10 2.02 3mh4A1 PRO 43 HA 0.00 0.02 0.34 -0.51 4.44 4.29 3mh4A1 PRO 43 HB2 0.00 0.05 -0.04 -0.04 2.28 2.25 3mh4A1 PRO 43 HB3 0.00 0.03 0.08 -0.04 2.02 2.09 3mh4A1 PRO 43 HG2 0.00 0.03 0.09 -0.04 2.03 2.10 3mh4A1 PRO 43 HG3 0.00 0.02 0.08 -0.04 2.03 2.09 3mh4A1 PRO 43 HD2 0.00 0.06 0.16 -0.04 3.68 3.86 3mh4A1 PRO 43 HD3 0.00 0.17 0.51 -0.04 3.65 4.29 3mh4A1 ARG 44 H 0.00 0.12 0.06 -0.55 8.46 8.09 3mh4A1 ARG 44 HA 0.00 0.27 0.52 -0.75 4.34 4.37 3mh4A1 ARG 44 HB2 0.00 -0.03 0.12 -0.04 1.90 1.95 3mh4A1 ARG 44 HB3 0.00 0.02 0.09 -0.04 1.80 1.87 3mh4A1 ARG 44 HG2 0.00 0.16 0.03 -0.04 1.67 1.82 3mh4A1 ARG 44 HG3 0.00 -0.04 0.00 -0.04 1.67 1.59 3mh4A1 ARG 44 HD2 0.00 -0.00 0.03 -0.04 3.22 3.20 3mh4A1 ARG 44 HD3 0.00 0.02 -0.00 -0.04 3.22 3.20 3mh4A1 GLY 79 HA2 0.01 0.10 0.30 -0.51 4.01 3.91 3mh4A1 GLY 79 HA3 0.01 -0.08 0.12 -0.51 4.01 3.55 3mh4A1 GLN 80 H 0.01 0.54 0.30 -0.55 8.47 8.77 3mh4A1 GLN 80 HA 0.01 0.12 0.80 -0.75 4.36 4.54 3mh4A1 GLN 80 HB2 0.01 -0.01 0.06 -0.04 2.15 2.17 3mh4A1 GLN 80 HB3 0.01 0.06 -0.13 -0.04 2.02 1.92 3mh4A1 GLN 80 HG2 0.01 0.03 -0.17 -0.04 2.40 2.23 3mh4A1 GLN 80 HG3 0.02 -0.04 -0.25 -0.04 2.39 2.07 3mh4A1 GLN 80 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.89 3mh4A1 GLN 80 HE22 0.01 0.08 -0.13 -0.04 7.69 7.62 3mh4A1 GLN 81 H 0.02 0.15 0.15 -0.55 8.47 8.24 3mh4A1 GLN 81 HA 0.03 0.18 0.71 -0.75 4.36 4.54 3mh4A1 GLN 81 HB2 0.02 -0.01 0.14 -0.04 2.15 2.26 3mh4A1 GLN 81 HB3 0.03 0.00 -0.08 -0.04 2.02 1.94 3mh4A1 GLN 81 HG2 0.02 -0.01 -0.06 -0.04 2.40 2.31 3mh4A1 GLN 81 HG3 0.02 0.01 -0.06 -0.04 2.39 2.33 3mh4A1 GLN 81 HE21 0.04 -0.02 -0.25 -0.04 6.97 6.70 3mh4A1 GLN 81 HE22 0.04 0.01 -0.16 -0.04 7.69 7.54 3mh4A1 GLN 82 H 0.06 0.68 0.36 -0.55 8.47 9.03 3mh4A1 GLN 82 HA 0.05 0.14 1.00 -0.75 4.36 4.79 3mh4A1 GLN 82 HB2 0.04 -0.00 -0.09 -0.04 2.15 2.06 3mh4A1 GLN 82 HB3 0.06 0.02 0.06 -0.04 2.02 2.12 3mh4A1 GLN 82 HG2 0.08 0.14 -0.18 -0.04 2.40 2.40 3mh4A1 GLN 82 HG3 0.04 -0.03 0.05 -0.04 2.39 2.42 3mh4A1 GLN 82 HE21 0.03 -0.03 -0.03 -0.04 6.97 6.90 3mh4A1 GLN 82 HE22 0.03 -0.00 -0.00 -0.04 7.69 7.68 3mh4A1 LYS 83 H 0.05 0.13 0.17 -0.55 8.42 8.22 3mh4A1 LYS 83 HA 0.06 0.25 0.90 -0.75 4.32 4.78 3mh4A1 LYS 83 HB2 0.01 -0.05 0.17 -0.04 1.87 1.96 3mh4A1 LYS 83 HB3 -0.03 0.07 0.03 -0.04 1.79 1.83 3mh4A1 LYS 83 HG2 -0.02 0.05 -0.05 -0.04 1.46 1.40 3mh4A1 LYS 83 HG3 0.01 -0.06 -0.03 -0.04 1.46 1.34 3mh4A1 LYS 83 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.62 3mh4A1 LYS 83 HD3 -0.03 0.03 -0.01 -0.04 1.68 1.63 3mh4A1 LYS 83 HE2 -0.01 -0.03 -0.06 -0.04 2.99 2.86 3mh4A1 LYS 83 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 3mh4A1 PHE 84 H -0.15 0.63 0.39 -0.55 8.34 8.66 3mh4A1 PHE 84 HA 0.01 0.18 0.90 -0.75 4.62 4.95 3mh4A1 PHE 84 HB2 0.02 -0.02 0.05 -0.04 3.15 3.15 3mh4A1 PHE 84 HB3 0.01 0.02 -0.18 -0.04 3.06 2.87 3mh4A1 PHE 84 HD2 0.01 0.03 -0.34 -0.04 7.28 6.94 3mh4A1 PHE 84 HE2 0.01 0.11 -0.27 -0.04 7.38 7.18 3mh4A1 PHE 84 HZ 0.01 0.21 -0.27 -0.04 7.32 7.23 3mh4A1 MET 85 H 0.22 0.23 0.13 -0.55 8.47 8.51 3mh4A1 MET 85 HA -0.15 0.23 0.90 -0.75 4.52 4.74 3mh4A1 MET 85 HB2 0.04 -0.08 0.13 -0.04 2.15 2.20 3mh4A1 MET 85 HB3 0.01 0.08 0.08 -0.04 2.03 2.16 3mh4A1 MET 85 HG2 -0.08 0.10 0.17 -0.04 2.63 2.78 3mh4A1 MET 85 HG3 -0.04 -0.08 -0.37 -0.04 2.56 2.03 3mh4A1 MET 85 HE3 -0.00 0.02 -0.01 -0.04 2.10 2.06 3mh4A1 ALA 86 H 0.03 0.25 0.12 -0.55 8.40 8.25 3mh4A1 ALA 86 HA 0.16 0.15 0.88 -0.75 4.34 4.77 3mh4A1 ALA 86 HB3 0.23 -0.00 0.06 -0.04 1.41 1.66 3mh4A1 LEU 87 H 0.07 0.23 0.19 -0.55 8.37 8.32 3mh4A1 LEU 87 HA 0.02 0.24 0.96 -0.75 4.35 4.82 3mh4A1 LEU 87 HB2 0.04 0.09 -0.22 -0.04 1.64 1.51 3mh4A1 LEU 87 HB3 0.05 -0.04 0.05 -0.04 1.64 1.66 3mh4A1 LEU 87 HG 0.02 0.07 0.06 -0.04 1.64 1.76 3mh4A1 LEU 87 HD13 0.03 0.00 0.01 -0.04 0.93 0.93 3mh4A1 LEU 87 HD23 0.03 -0.02 -0.27 -0.04 0.89 0.59 3mh4A1 GLY 88 H 0.01 0.50 0.32 -0.55 8.43 8.71 3mh4A1 GLY 88 HA2 0.01 0.19 0.87 -0.51 4.01 4.57 3mh4A1 GLY 88 HA3 -0.03 0.00 0.34 -0.51 4.01 3.82 3mh4A1 SER 89 H -0.01 0.23 0.25 -0.55 8.46 8.39 3mh4A1 SER 89 HA 0.00 0.33 1.00 -0.75 4.49 5.06 3mh4A1 SER 89 HB2 0.01 -0.12 0.19 -0.04 3.95 3.98 3mh4A1 SER 89 HB3 0.00 0.05 0.19 -0.04 3.93 4.14 3mh4A1 GLY 90 H 0.00 0.50 0.40 -0.55 8.43 8.79 3mh4A1 GLY 90 HA2 -0.00 0.04 0.61 -0.51 4.01 4.15 3mh4A1 GLY 90 HA3 -0.01 0.12 0.35 -0.51 4.01 3.97 3mh4A1 VAL 91 H -0.00 0.40 0.25 -0.55 8.24 8.34 3mh4A1 VAL 91 HA -0.00 0.41 1.26 -0.75 4.13 5.03 3mh4A1 VAL 91 HB 0.00 -0.09 0.03 -0.04 2.12 2.02 3mh4A1 VAL 91 HG13 -0.00 0.05 -0.05 -0.04 0.97 0.93 3mh4A1 VAL 91 HG23 0.00 -0.01 -0.12 -0.04 0.95 0.78 3mh4A1 ILE 92 H -0.01 0.72 0.29 -0.55 8.25 8.70 3mh4A1 ILE 92 HA -0.01 0.14 0.68 -0.75 4.18 4.24 3mh4A1 ILE 92 HB -0.02 0.16 0.30 -0.04 1.89 2.28 3mh4A1 ILE 92 HG12 -0.08 -0.05 -0.16 -0.04 1.49 1.17 3mh4A1 ILE 92 HG13 -0.04 0.02 -0.08 -0.04 1.21 1.07 3mh4A1 ILE 92 HG23 -0.04 -0.06 -0.44 -0.04 0.93 0.35 3mh4A1 ILE 92 HD13 -0.07 0.00 -0.03 -0.04 0.88 0.74 3mh4A1 ILE 93 H 0.04 0.76 0.41 -0.55 8.25 8.91 3mh4A1 ILE 93 HA 0.01 0.12 0.64 -0.75 4.18 4.20 3mh4A1 ILE 93 HB 0.04 0.04 0.04 -0.04 1.89 1.98 3mh4A1 ILE 93 HG12 -0.00 -0.03 -0.04 -0.04 1.49 1.38 3mh4A1 ILE 93 HG13 -0.00 -0.02 -0.03 -0.04 1.21 1.12 3mh4A1 ILE 93 HG23 0.03 -0.01 -0.19 -0.04 0.93 0.72 3mh4A1 ILE 93 HD13 0.00 0.01 -0.27 -0.04 0.88 0.58 3mh4A1 ASP 94 H 0.08 0.28 0.18 -0.55 8.40 8.40 3mh4A1 ASP 94 HA 0.03 0.22 0.86 -0.75 4.63 4.98 3mh4A1 ASP 94 HB2 0.25 0.14 -0.01 -0.04 2.71 3.05 3mh4A1 ASP 94 HB3 0.16 -0.12 0.21 -0.04 2.70 2.91 3mh4A1 ALA 95 H -0.01 0.25 -0.03 -0.55 8.40 8.06 3mh4A1 ALA 95 HA -0.06 0.10 0.12 -0.75 4.34 3.75 3mh4A1 ALA 95 HB3 -0.03 0.04 -0.06 -0.04 1.41 1.32 3mh4A1 ASP 96 H -0.05 0.01 -0.21 -0.55 8.40 7.60 3mh4A1 ASP 96 HA -0.06 0.16 0.39 -0.75 4.63 4.37 3mh4A1 ASP 96 HB2 -0.04 0.00 0.05 -0.04 2.71 2.68 3mh4A1 ASP 96 HB3 -0.05 -0.08 0.08 -0.04 2.70 2.60 3mh4A1 LYS 97 H -0.18 -0.03 -0.07 -0.55 8.42 7.59 3mh4A1 LYS 97 HA -0.24 0.16 0.53 -0.75 4.32 4.02 3mh4A1 LYS 97 HB2 -0.92 -0.09 0.00 -0.04 1.87 0.82 3mh4A1 LYS 97 HB3 -0.90 0.08 0.01 -0.04 1.79 0.93 3mh4A1 LYS 97 HG2 -0.13 -0.11 0.01 -0.04 1.46 1.18 3mh4A1 LYS 97 HG3 -0.11 0.03 -0.01 -0.04 1.46 1.33 3mh4A1 LYS 97 HD2 -0.12 0.05 -0.00 -0.04 1.69 1.57 3mh4A1 LYS 97 HD3 -0.15 0.08 -0.06 -0.04 1.68 1.51 3mh4A1 LYS 97 HE2 -0.04 0.03 -0.04 -0.04 2.99 2.90 3mh4A1 LYS 97 HE3 -0.06 -0.05 -0.09 -0.04 2.99 2.76 3mh4A1 GLY 98 H -0.21 0.17 -0.45 -0.55 8.43 7.40 3mh4A1 GLY 98 HA2 -0.15 0.03 0.19 -0.51 4.01 3.58 3mh4A1 GLY 98 HA3 -0.18 0.15 0.51 -0.51 4.01 3.98 3mh4A1 TYR 99 H -0.07 0.24 0.15 -0.55 8.29 8.06 3mh4A1 TYR 99 HA -0.04 0.33 0.75 -0.75 4.56 4.86 3mh4A1 TYR 99 HB2 -0.03 -0.22 0.18 -0.04 3.06 2.95 3mh4A1 TYR 99 HB3 -0.03 0.04 -0.05 -0.04 2.98 2.90 3mh4A1 TYR 99 HD2 -0.03 0.04 -0.08 -0.04 7.15 7.04 3mh4A1 TYR 99 HE2 -0.03 0.03 -0.09 -0.04 6.85 6.72 3mh4A1 VAL 100 H 0.11 0.90 0.27 -0.55 8.24 8.97 3mh4A1 VAL 100 HA 0.02 0.24 1.05 -0.75 4.13 4.69 3mh4A1 VAL 100 HB 0.01 -0.04 -0.10 -0.04 2.12 1.95 3mh4A1 VAL 100 HG13 -0.01 0.01 -0.50 -0.04 0.97 0.44 3mh4A1 VAL 100 HG23 -0.04 0.02 -0.45 -0.04 0.95 0.44 3mh4A1 VAL 101 H 0.01 0.45 0.26 -0.55 8.24 8.41 3mh4A1 VAL 101 HA -0.01 0.19 0.78 -0.75 4.13 4.33 3mh4A1 VAL 101 HB -0.01 -0.04 0.10 -0.04 2.12 2.13 3mh4A1 VAL 101 HG13 -0.00 0.03 0.02 -0.04 0.97 0.97 3mh4A1 VAL 101 HG23 -0.02 0.02 0.04 -0.04 0.95 0.95 3mh4A1 THR 102 H -0.01 0.68 0.45 -0.55 8.28 8.85 3mh4A1 THR 102 HA -0.01 0.13 0.65 -0.75 4.39 4.40 3mh4A1 THR 102 HB -0.01 0.06 -0.36 -0.04 4.32 3.96 3mh4A1 THR 102 HG23 -0.03 0.01 -0.38 -0.04 1.22 0.79 3mh4A1 ASN 103 H -0.07 0.22 0.18 -0.55 8.53 8.31 3mh4A1 ASN 103 HA -0.00 0.37 0.94 -0.75 4.76 5.31 3mh4A1 ASN 103 HB2 -0.35 -0.04 0.12 -0.04 2.88 2.57 3mh4A1 ASN 103 HB3 -0.06 -0.14 0.06 -0.04 2.79 2.61 3mh4A1 ASN 103 HD21 0.11 0.34 0.12 -0.04 7.03 7.56 3mh4A1 ASN 103 HD22 0.13 0.15 0.24 -0.04 7.74 8.23 3mh4A1 ASN 104 H 0.02 0.33 -0.48 -0.55 8.53 7.86 3mh4A1 ASN 104 HA -0.01 0.07 0.23 -0.75 4.76 4.29 3mh4A1 ASN 104 HB2 0.01 -0.00 -0.21 -0.04 2.88 2.64 3mh4A1 ASN 104 HB3 0.04 -0.01 -0.13 -0.04 2.79 2.65 3mh4A1 ASN 104 HD21 0.02 0.06 -0.06 -0.04 7.03 7.01 3mh4A1 ASN 104 HD22 0.01 -0.00 -0.03 -0.04 7.74 7.69 3mh4A1 HIS 105 H 0.11 0.17 -0.25 -0.55 8.41 7.89 3mh4A1 HIS 105 HA 0.00 0.10 0.35 -0.75 4.63 4.33 3mh4A1 HIS 105 HB2 -0.00 0.05 0.10 -0.04 3.26 3.36 3mh4A1 HIS 105 HB3 0.00 -0.02 0.06 -0.04 3.20 3.20 3mh4A1 HIS 105 HD2 0.01 0.03 -0.07 -0.04 6.97 6.89 3mh4A1 HIS 105 HE1 0.02 0.21 0.05 -0.04 7.75 7.98 3mh4A1 VAL 106 H -0.17 0.15 -0.91 -0.55 8.24 6.76 3mh4A1 VAL 106 HA -0.07 0.20 0.79 -0.75 4.13 4.30 3mh4A1 VAL 106 HB -0.17 0.22 0.02 -0.04 2.12 2.14 3mh4A1 VAL 106 HG13 -0.04 -0.03 -0.29 -0.04 0.97 0.57 3mh4A1 VAL 106 HG23 -0.49 -0.03 -0.15 -0.04 0.95 0.24 3mh4A1 VAL 107 H -0.03 0.09 0.02 -0.55 8.24 7.77 3mh4A1 VAL 107 HA 0.03 0.16 0.45 -0.75 4.13 4.01 3mh4A1 VAL 107 HB -0.02 0.00 -0.20 -0.04 2.12 1.86 3mh4A1 VAL 107 HG13 -0.00 -0.02 -0.24 -0.04 0.97 0.67 3mh4A1 VAL 107 HG23 0.01 -0.00 -0.14 -0.04 0.95 0.77 3mh4A1 ASP 108 H 0.03 0.16 -0.05 -0.55 8.40 8.00 3mh4A1 ASP 108 HA 0.04 -0.03 0.49 -0.75 4.63 4.38 3mh4A1 ASP 108 HB2 0.03 0.23 0.11 -0.04 2.71 3.04 3mh4A1 ASP 108 HB3 0.02 0.04 -0.11 -0.04 2.70 2.61 3mh4A1 ASN 109 H 0.07 0.09 0.15 -0.55 8.53 8.29 3mh4A1 ASN 109 HA 0.10 0.01 0.32 -0.75 4.76 4.43 3mh4A1 ASN 109 HB2 0.16 0.15 -0.27 -0.04 2.88 2.88 3mh4A1 ASN 109 HB3 0.24 0.17 0.20 -0.04 2.79 3.36 3mh4A1 ASN 109 HD21 -0.02 -0.01 -0.07 -0.04 7.03 6.88 3mh4A1 ASN 109 HD22 -0.05 0.05 -0.29 -0.04 7.74 7.41 3mh4A1 ALA 110 H 0.08 0.14 -0.26 -0.55 8.40 7.83 3mh4A1 ALA 110 HA 0.00 0.07 0.39 -0.75 4.34 4.04 3mh4A1 ALA 110 HB3 0.03 -0.00 -0.15 -0.04 1.41 1.24 3mh4A1 THR 111 H -0.08 0.60 0.49 -0.55 8.28 8.74 3mh4A1 THR 111 HA -0.01 0.13 0.89 -0.75 4.39 4.64 3mh4A1 THR 111 HB -0.07 0.14 0.21 -0.04 4.32 4.56 3mh4A1 THR 111 HG23 -0.02 -0.01 -0.07 -0.04 1.22 1.07 3mh4A1 VAL 112 H -0.07 0.62 0.41 -0.55 8.24 8.66 3mh4A1 VAL 112 HA -0.02 0.20 0.97 -0.75 4.13 4.53 3mh4A1 VAL 112 HB -0.05 -0.03 0.20 -0.04 2.12 2.20 3mh4A1 VAL 112 HG13 -0.02 0.00 -0.16 -0.04 0.97 0.75 3mh4A1 VAL 112 HG23 -0.03 -0.01 -0.10 -0.04 0.95 0.78 3mh4A1 ILE 113 H -0.00 0.29 0.15 -0.55 8.25 8.14 3mh4A1 ILE 113 HA -0.01 0.28 1.05 -0.75 4.18 4.75 3mh4A1 ILE 113 HB 0.00 0.01 -0.08 -0.04 1.89 1.78 3mh4A1 ILE 113 HG12 0.01 -0.06 -0.30 -0.04 1.49 1.11 3mh4A1 ILE 113 HG13 0.02 -0.08 -0.34 -0.04 1.21 0.76 3mh4A1 ILE 113 HG23 0.01 0.03 -0.20 -0.04 0.93 0.72 3mh4A1 ILE 113 HD13 0.01 0.03 -0.34 -0.04 0.88 0.54 3mh4A1 LYS 114 H 0.00 0.57 0.24 -0.55 8.42 8.68 3mh4A1 LYS 114 HA 0.04 0.21 1.13 -0.75 4.32 4.94 3mh4A1 LYS 114 HB2 0.01 0.06 0.13 -0.04 1.87 2.03 3mh4A1 LYS 114 HB3 0.02 0.01 -0.03 -0.04 1.79 1.75 3mh4A1 LYS 114 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 3mh4A1 LYS 114 HG3 0.02 0.10 0.12 -0.04 1.46 1.66 3mh4A1 LYS 114 HD2 -0.00 -0.07 -0.39 -0.04 1.69 1.19 3mh4A1 LYS 114 HD3 -0.01 0.02 -0.09 -0.04 1.68 1.56 3mh4A1 LYS 114 HE2 0.00 -0.00 -0.04 -0.04 2.99 2.91 3mh4A1 LYS 114 HE3 -0.01 -0.02 -0.06 -0.04 2.99 2.86 3mh4A1 VAL 115 H 0.09 0.68 0.31 -0.55 8.24 8.76 3mh4A1 VAL 115 HA 0.05 0.29 0.96 -0.75 4.13 4.67 3mh4A1 VAL 115 HB 0.11 -0.03 -0.06 -0.04 2.12 2.10 3mh4A1 VAL 115 HG13 0.01 -0.01 -0.34 -0.04 0.97 0.59 3mh4A1 VAL 115 HG23 0.02 -0.01 -0.42 -0.04 0.95 0.50 3mh4A1 GLN 116 H 0.06 0.58 0.29 -0.55 8.47 8.85 3mh4A1 GLN 116 HA 0.13 0.41 1.22 -0.75 4.36 5.36 3mh4A1 GLN 116 HB2 0.04 -0.03 -0.04 -0.04 2.15 2.09 3mh4A1 GLN 116 HB3 0.04 -0.07 0.12 -0.04 2.02 2.07 3mh4A1 GLN 116 HG2 0.04 0.03 -0.36 -0.04 2.40 2.07 3mh4A1 GLN 116 HG3 0.05 0.14 -0.28 -0.04 2.39 2.26 3mh4A1 GLN 116 HE21 0.02 -0.04 -0.04 -0.04 6.97 6.87 3mh4A1 GLN 116 HE22 0.02 -0.05 -0.08 -0.04 7.69 7.54 3mh4A1 LEU 117 H 0.17 0.77 0.21 -0.55 8.37 8.97 3mh4A1 LEU 117 HA 0.05 0.17 0.60 -0.75 4.35 4.42 3mh4A1 LEU 117 HB2 0.13 -0.17 0.11 -0.04 1.64 1.67 3mh4A1 LEU 117 HB3 0.07 0.03 0.19 -0.04 1.64 1.89 3mh4A1 LEU 117 HG 0.49 0.10 -0.04 -0.04 1.64 2.15 3mh4A1 LEU 117 HD13 0.08 0.00 0.00 -0.04 0.93 0.98 3mh4A1 LEU 117 HD23 -0.06 0.00 -0.17 -0.04 0.89 0.62 3mh4A1 SER 118 H 0.03 0.40 0.28 -0.55 8.46 8.63 3mh4A1 SER 118 HA 0.02 0.06 0.38 -0.75 4.49 4.20 3mh4A1 SER 118 HB2 0.02 -0.06 0.04 -0.04 3.95 3.91 3mh4A1 SER 118 HB3 0.02 0.25 0.14 -0.04 3.93 4.30 3mh4A1 ASP 119 H 0.04 0.02 -0.39 -0.55 8.40 7.52 3mh4A1 ASP 119 HA 0.02 0.18 0.68 -0.75 4.63 4.75 3mh4A1 ASP 119 HB2 0.02 0.02 0.14 -0.04 2.71 2.85 3mh4A1 ASP 119 HB3 0.03 0.01 0.06 -0.04 2.70 2.76 3mh4A1 GLY 120 H 0.04 0.63 -0.32 -0.55 8.43 8.24 3mh4A1 GLY 120 HA2 0.02 0.04 0.24 -0.51 4.01 3.80 3mh4A1 GLY 120 HA3 0.01 0.14 0.71 -0.51 4.01 4.36 3mh4A1 ARG 121 H 0.04 0.02 -0.22 -0.55 8.46 7.75 3mh4A1 ARG 121 HA -0.08 0.05 0.41 -0.75 4.34 3.97 3mh4A1 ARG 121 HB2 0.20 -0.11 0.09 -0.04 1.90 2.04 3mh4A1 ARG 121 HB3 -0.16 0.12 -0.01 -0.04 1.80 1.71 3mh4A1 ARG 121 HG2 -0.04 0.02 0.02 -0.04 1.67 1.64 3mh4A1 ARG 121 HG3 0.04 -0.04 -0.02 -0.04 1.67 1.61 3mh4A1 ARG 121 HD2 0.06 0.06 0.01 -0.04 3.22 3.30 3mh4A1 ARG 121 HD3 0.02 -0.01 0.01 -0.04 3.22 3.20 3mh4A1 LYS 122 H -0.22 0.14 0.27 -0.55 8.42 8.05 3mh4A1 LYS 122 HA 0.08 0.39 1.28 -0.75 4.32 5.32 3mh4A1 LYS 122 HB2 -0.09 -0.07 0.10 -0.04 1.87 1.78 3mh4A1 LYS 122 HB3 -0.01 0.02 0.07 -0.04 1.79 1.83 3mh4A1 LYS 122 HG2 0.01 0.02 -0.08 -0.04 1.46 1.37 3mh4A1 LYS 122 HG3 -0.04 0.06 0.00 -0.04 1.46 1.45 3mh4A1 LYS 122 HD2 -0.04 -0.05 0.01 -0.04 1.69 1.58 3mh4A1 LYS 122 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 3mh4A1 LYS 122 HE2 -0.00 0.01 -0.03 -0.04 2.99 2.93 3mh4A1 LYS 122 HE3 -0.01 0.02 0.00 -0.04 2.99 2.96 3mh4A1 PHE 123 H 0.26 0.70 0.43 -0.55 8.34 9.18 3mh4A1 PHE 123 HA -0.01 0.18 0.87 -0.75 4.62 4.91 3mh4A1 PHE 123 HB2 -0.01 -0.11 -0.08 -0.04 3.15 2.91 3mh4A1 PHE 123 HB3 -0.01 0.21 0.08 -0.04 3.06 3.30 3mh4A1 PHE 123 HD2 -0.01 0.16 -0.21 -0.04 7.28 7.18 3mh4A1 PHE 123 HE2 -0.01 -0.01 -0.09 -0.04 7.38 7.23 3mh4A1 PHE 123 HZ -0.01 0.05 -0.04 -0.04 7.32 7.28 3mh4A1 ASP 124 H 0.12 0.25 0.25 -0.55 8.40 8.47 3mh4A1 ASP 124 HA 0.05 0.19 1.10 -0.75 4.63 5.22 3mh4A1 ASP 124 HB2 0.04 -0.03 0.20 -0.04 2.71 2.89 3mh4A1 ASP 124 HB3 0.03 0.08 0.11 -0.04 2.70 2.88 3mh4A1 ALA 125 H 0.04 0.55 0.27 -0.55 8.40 8.72 3mh4A1 ALA 125 HA 0.03 0.26 1.13 -0.75 4.34 5.00 3mh4A1 ALA 125 HB3 0.02 -0.05 -0.24 -0.04 1.41 1.10 3mh4A1 LYS 126 H 0.02 0.62 0.35 -0.55 8.42 8.87 3mh4A1 LYS 126 HA 0.02 0.12 0.90 -0.75 4.32 4.61 3mh4A1 LYS 126 HB2 0.02 -0.00 0.09 -0.04 1.87 1.94 3mh4A1 LYS 126 HB3 0.02 0.11 0.06 -0.04 1.79 1.95 3mh4A1 LYS 126 HG2 0.02 -0.03 -0.27 -0.04 1.46 1.14 3mh4A1 LYS 126 HG3 0.02 -0.02 -0.02 -0.04 1.46 1.39 3mh4A1 LYS 126 HD2 0.01 -0.01 0.09 -0.04 1.69 1.74 3mh4A1 LYS 126 HD3 0.01 0.09 0.17 -0.04 1.68 1.91 3mh4A1 LYS 126 HE2 0.01 0.02 0.06 -0.04 2.99 3.04 3mh4A1 LYS 126 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 3mh4A1 MET 127 H 0.02 0.14 0.12 -0.55 8.47 8.20 3mh4A1 MET 127 HA 0.02 0.04 0.55 -0.75 4.52 4.37 3mh4A1 MET 127 HB2 0.02 0.03 0.09 -0.04 2.15 2.25 3mh4A1 MET 127 HB3 0.02 0.03 0.01 -0.04 2.03 2.05 3mh4A1 MET 127 HG2 0.02 0.02 -0.08 -0.04 2.63 2.55 3mh4A1 MET 127 HG3 0.01 -0.12 0.02 -0.04 2.56 2.43 3mh4A1 MET 127 HE3 0.02 0.02 -0.04 -0.04 2.10 2.06 3mh4A1 VAL 128 H 0.01 0.24 0.37 -0.55 8.24 8.32 3mh4A1 VAL 128 HA 0.02 0.18 0.65 -0.75 4.13 4.22 3mh4A1 VAL 128 HB 0.04 0.03 0.04 -0.04 2.12 2.20 3mh4A1 VAL 128 HG13 0.07 0.10 -0.47 -0.04 0.97 0.63 3mh4A1 VAL 128 HG23 -0.07 -0.00 -0.26 -0.04 0.95 0.57 3mh4A1 GLY 129 H -0.00 0.12 0.29 -0.55 8.43 8.29 3mh4A1 GLY 129 HA2 0.00 0.20 0.54 -0.51 4.01 4.24 3mh4A1 GLY 129 HA3 -0.01 0.06 0.29 -0.51 4.01 3.84 3mh4A1 LYS 130 H 0.01 0.34 0.28 -0.55 8.42 8.48 3mh4A1 LYS 130 HA -0.00 0.17 1.00 -0.75 4.32 4.74 3mh4A1 LYS 130 HB2 0.01 -0.09 0.09 -0.04 1.87 1.83 3mh4A1 LYS 130 HB3 0.01 0.01 0.00 -0.04 1.79 1.77 3mh4A1 LYS 130 HG2 0.01 0.01 -0.09 -0.04 1.46 1.34 3mh4A1 LYS 130 HG3 0.01 0.05 0.07 -0.04 1.46 1.55 3mh4A1 LYS 130 HD2 0.01 -0.00 -0.03 -0.04 1.69 1.63 3mh4A1 LYS 130 HD3 0.02 -0.02 -0.04 -0.04 1.68 1.59 3mh4A1 LYS 130 HE2 0.02 0.05 0.00 -0.04 2.99 3.03 3mh4A1 LYS 130 HE3 0.02 -0.02 0.02 -0.04 2.99 2.97 3mh4A1 ASP 131 H 0.01 0.19 0.12 -0.55 8.40 8.16 3mh4A1 ASP 131 HA 0.00 0.19 0.74 -0.75 4.63 4.81 3mh4A1 ASP 131 HB2 -0.00 0.13 -0.12 -0.04 2.71 2.67 3mh4A1 ASP 131 HB3 -0.00 -0.01 0.15 -0.04 2.70 2.79 3mh4A1 PRO 132 HA 0.02 -0.01 0.27 -0.51 4.44 4.22 3mh4A1 PRO 132 HB2 0.01 0.09 0.02 -0.04 2.28 2.36 3mh4A1 PRO 132 HB3 0.01 0.07 0.06 -0.04 2.02 2.12 3mh4A1 PRO 132 HG2 0.01 0.11 0.06 -0.04 2.03 2.16 3mh4A1 PRO 132 HG3 0.01 0.02 0.05 -0.04 2.03 2.07 3mh4A1 PRO 132 HD2 0.00 0.16 0.15 -0.04 3.68 3.96 3mh4A1 PRO 132 HD3 0.01 0.16 0.00 -0.04 3.65 3.78 3mh4A1 ARG 133 H 0.01 0.09 -0.27 -0.55 8.46 7.73 3mh4A1 ARG 133 HA 0.01 0.10 0.39 -0.75 4.34 4.09 3mh4A1 ARG 133 HB2 0.00 -0.05 0.10 -0.04 1.90 1.92 3mh4A1 ARG 133 HB3 0.00 0.05 -0.01 -0.04 1.80 1.79 3mh4A1 ARG 133 HG2 0.01 -0.00 0.08 -0.04 1.67 1.71 3mh4A1 ARG 133 HG3 0.00 -0.03 0.05 -0.04 1.67 1.65 3mh4A1 ARG 133 HD2 0.00 -0.08 0.00 -0.04 3.22 3.10 3mh4A1 ARG 133 HD3 -0.00 0.37 0.11 -0.04 3.22 3.65 3mh4A1 SER 134 H 0.00 0.15 -0.05 -0.55 8.46 8.02 3mh4A1 SER 134 HA 0.01 0.23 0.74 -0.75 4.49 4.71 3mh4A1 SER 134 HB2 -0.07 -0.01 0.08 -0.04 3.95 3.91 3mh4A1 SER 134 HB3 -0.04 0.02 0.02 -0.04 3.93 3.88 3mh4A1 ASP 135 H 0.02 0.26 -0.27 -0.55 8.40 7.86 3mh4A1 ASP 135 HA 0.06 -0.09 0.26 -0.75 4.63 4.11 3mh4A1 ASP 135 HB2 0.07 0.17 -0.12 -0.04 2.71 2.79 3mh4A1 ASP 135 HB3 0.09 0.20 0.16 -0.04 2.70 3.10 3mh4A1 ILE 136 H 0.01 0.28 -0.02 -0.55 8.25 7.97 3mh4A1 ILE 136 HA 0.01 0.33 1.10 -0.75 4.18 4.86 3mh4A1 ILE 136 HB -0.01 -0.06 -0.03 -0.04 1.89 1.74 3mh4A1 ILE 136 HG12 -0.01 0.15 -0.51 -0.04 1.49 1.08 3mh4A1 ILE 136 HG13 -0.03 -0.04 -0.12 -0.04 1.21 0.98 3mh4A1 ILE 136 HG23 -0.02 0.01 -0.14 -0.04 0.93 0.74 3mh4A1 ILE 136 HD13 -0.00 0.02 -0.03 -0.04 0.88 0.83 3mh4A1 ALA 137 H -0.01 0.89 0.34 -0.55 8.40 9.07 3mh4A1 ALA 137 HA -0.01 0.17 0.73 -0.75 4.34 4.48 3mh4A1 ALA 137 HB3 -0.01 -0.02 -0.19 -0.04 1.41 1.15 3mh4A1 LEU 138 H -0.02 0.79 0.30 -0.55 8.37 8.90 3mh4A1 LEU 138 HA -0.02 0.18 0.96 -0.75 4.35 4.72 3mh4A1 LEU 138 HB2 -0.08 -0.02 -0.05 -0.04 1.64 1.44 3mh4A1 LEU 138 HB3 -0.08 -0.02 -0.04 -0.04 1.64 1.45 3mh4A1 LEU 138 HG -0.10 -0.04 -0.10 -0.04 1.64 1.36 3mh4A1 LEU 138 HD13 -0.37 0.02 -0.10 -0.04 0.93 0.45 3mh4A1 LEU 138 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.67 3mh4A1 ILE 139 H 0.02 0.64 0.20 -0.55 8.25 8.56 3mh4A1 ILE 139 HA 0.03 0.18 0.92 -0.75 4.18 4.56 3mh4A1 ILE 139 HB 0.02 0.03 -0.15 -0.04 1.89 1.75 3mh4A1 ILE 139 HG12 0.01 0.23 -0.06 -0.04 1.49 1.63 3mh4A1 ILE 139 HG13 0.02 -0.06 -0.35 -0.04 1.21 0.79 3mh4A1 ILE 139 HG23 0.01 -0.03 -0.30 -0.04 0.93 0.57 3mh4A1 ILE 139 HD13 0.01 -0.02 -0.32 -0.04 0.88 0.51 3mh4A1 GLN 140 H 0.05 0.81 0.27 -0.55 8.47 9.05 3mh4A1 GLN 140 HA 0.09 0.28 1.10 -0.75 4.36 5.08 3mh4A1 GLN 140 HB2 0.18 -0.06 -0.12 -0.04 2.15 2.11 3mh4A1 GLN 140 HB3 0.05 -0.03 0.06 -0.04 2.02 2.06 3mh4A1 GLN 140 HG2 -0.04 0.02 -0.39 -0.04 2.40 1.95 3mh4A1 GLN 140 HG3 -0.13 0.15 -0.06 -0.04 2.39 2.31 3mh4A1 GLN 140 HE21 -0.10 -0.11 -0.01 -0.04 6.97 6.71 3mh4A1 GLN 140 HE22 -0.29 0.38 0.05 -0.04 7.69 7.79 3mh4A1 ILE 141 H -0.07 0.89 0.31 -0.55 8.25 8.83 3mh4A1 ILE 141 HA -0.02 0.05 0.67 -0.75 4.18 4.13 3mh4A1 ILE 141 HB -0.18 -0.03 0.13 -0.04 1.89 1.76 3mh4A1 ILE 141 HG12 -0.15 -0.01 -0.21 -0.04 1.49 1.08 3mh4A1 ILE 141 HG13 -0.10 -0.03 -0.21 -0.04 1.21 0.83 3mh4A1 ILE 141 HG23 -0.25 -0.03 -0.47 -0.04 0.93 0.15 3mh4A1 ILE 141 HD13 -0.33 -0.03 -0.20 -0.04 0.88 0.28 3mh4A1 GLN 142 H 0.04 0.77 0.46 -0.55 8.47 9.19 3mh4A1 GLN 142 HA 0.01 0.00 0.66 -0.75 4.36 4.28 3mh4A1 GLN 142 HB2 0.06 -0.05 0.21 -0.04 2.15 2.33 3mh4A1 GLN 142 HB3 0.03 -0.06 0.06 -0.04 2.02 2.00 3mh4A1 GLN 142 HG2 0.02 -0.03 -0.07 -0.04 2.40 2.28 3mh4A1 GLN 142 HG3 0.03 0.10 -0.11 -0.04 2.39 2.37 3mh4A1 GLN 142 HE21 0.01 -0.02 -0.03 -0.04 6.97 6.90 3mh4A1 GLN 142 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.64 3mh4A1 ASN 143 H 0.02 0.12 0.19 -0.55 8.53 8.31 3mh4A1 ASN 143 HA 0.04 0.01 0.34 -0.75 4.76 4.39 3mh4A1 ASN 143 HB2 0.10 0.19 -0.03 -0.04 2.88 3.10 3mh4A1 ASN 143 HB3 0.10 -0.03 0.24 -0.04 2.79 3.07 3mh4A1 ASN 143 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.95 3mh4A1 ASN 143 HD22 0.03 0.00 -0.17 -0.04 7.74 7.57 3mh4A1 PRO 144 HA -0.16 0.02 0.33 -0.51 4.44 4.12 3mh4A1 PRO 144 HB2 -0.11 0.05 -0.10 -0.04 2.28 2.07 3mh4A1 PRO 144 HB3 -0.16 -0.02 -0.04 -0.04 2.02 1.75 3mh4A1 PRO 144 HG2 -0.06 -0.03 0.11 -0.04 2.03 2.01 3mh4A1 PRO 144 HG3 -0.11 0.16 -0.13 -0.04 2.03 1.90 3mh4A1 PRO 144 HD2 -0.02 -0.08 0.23 -0.04 3.68 3.77 3mh4A1 PRO 144 HD3 -0.05 0.60 0.10 -0.04 3.65 4.27 3mh4A1 LYS 145 H -0.00 0.22 0.06 -0.55 8.42 8.14 3mh4A1 LYS 145 HA 0.02 0.04 0.67 -0.75 4.32 4.30 3mh4A1 LYS 145 HB2 0.10 0.13 -0.42 -0.04 1.87 1.64 3mh4A1 LYS 145 HB3 0.14 -0.00 -0.02 -0.04 1.79 1.87 3mh4A1 LYS 145 HG2 0.04 -0.04 -0.09 -0.04 1.46 1.33 3mh4A1 LYS 145 HG3 0.03 -0.02 0.08 -0.04 1.46 1.51 3mh4A1 LYS 145 HD2 0.04 0.05 -0.06 -0.04 1.69 1.67 3mh4A1 LYS 145 HD3 0.04 -0.01 -0.05 -0.04 1.68 1.62 3mh4A1 LYS 145 HE2 0.01 0.00 -0.00 -0.04 2.99 2.96 3mh4A1 LYS 145 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 3mh4A1 ASN 146 H 0.01 0.13 0.10 -0.55 8.53 8.23 3mh4A1 ASN 146 HA 0.01 0.01 0.32 -0.75 4.76 4.34 3mh4A1 ASN 146 HB2 0.05 0.17 0.16 -0.04 2.88 3.23 3mh4A1 ASN 146 HB3 0.02 -0.01 0.17 -0.04 2.79 2.93 3mh4A1 ASN 146 HD21 0.02 -0.01 -0.04 -0.04 7.03 6.96 3mh4A1 ASN 146 HD22 0.03 0.03 -0.04 -0.04 7.74 7.72 3mh4A1 LEU 147 H -0.03 0.08 -0.09 -0.55 8.37 7.79 3mh4A1 LEU 147 HA -0.05 0.20 0.71 -0.75 4.35 4.46 3mh4A1 LEU 147 HB2 -0.08 0.06 -0.03 -0.04 1.64 1.54 3mh4A1 LEU 147 HB3 -0.08 -0.09 -0.17 -0.04 1.64 1.26 3mh4A1 LEU 147 HG -0.17 0.03 -0.09 -0.04 1.64 1.37 3mh4A1 LEU 147 HD13 -0.24 -0.00 -0.25 -0.04 0.93 0.39 3mh4A1 LEU 147 HD23 -0.24 -0.02 -0.09 -0.04 0.89 0.50 3mh4A1 THR 148 H -0.03 0.26 0.06 -0.55 8.28 8.02 3mh4A1 THR 148 HA -0.02 0.14 0.98 -0.75 4.39 4.74 3mh4A1 THR 148 HB -0.01 -0.02 -0.02 -0.04 4.32 4.23 3mh4A1 THR 148 HG23 -0.01 0.01 -0.16 -0.04 1.22 1.03 3mh4A1 ALA 149 H -0.01 0.12 0.06 -0.55 8.40 8.02 3mh4A1 ALA 149 HA -0.01 0.29 0.71 -0.75 4.34 4.57 3mh4A1 ALA 149 HB3 -0.01 -0.02 -0.13 -0.04 1.41 1.21 3mh4A1 ILE 150 H -0.00 0.48 0.28 -0.55 8.25 8.45 3mh4A1 ILE 150 HA -0.00 0.16 0.58 -0.75 4.18 4.17 3mh4A1 ILE 150 HB -0.00 0.07 0.09 -0.04 1.89 2.01 3mh4A1 ILE 150 HG12 0.00 -0.04 0.03 -0.04 1.49 1.44 3mh4A1 ILE 150 HG13 0.00 0.12 0.10 -0.04 1.21 1.39 3mh4A1 ILE 150 HG23 0.00 -0.03 -0.19 -0.04 0.93 0.67 3mh4A1 ILE 150 HD13 0.00 -0.02 -0.16 -0.04 0.88 0.67 3mh4A1 LYS 151 H 0.00 0.25 0.20 -0.55 8.42 8.32 3mh4A1 LYS 151 HA 0.00 0.13 0.79 -0.75 4.32 4.49 3mh4A1 LYS 151 HB2 0.00 0.06 0.07 -0.04 1.87 1.97 3mh4A1 LYS 151 HB3 0.00 0.00 0.14 -0.04 1.79 1.89 3mh4A1 LYS 151 HG2 0.00 0.04 -0.25 -0.04 1.46 1.21 3mh4A1 LYS 151 HG3 0.00 0.01 0.01 -0.04 1.46 1.44 3mh4A1 LYS 151 HD2 0.00 0.03 -0.03 -0.04 1.69 1.65 3mh4A1 LYS 151 HD3 0.00 -0.02 -0.08 -0.04 1.68 1.53 3mh4A1 LYS 151 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 3mh4A1 LYS 151 HE3 0.00 -0.02 -0.05 -0.04 2.99 2.88 3mh4A1 MET 152 H 0.00 0.21 0.17 -0.55 8.47 8.30 3mh4A1 MET 152 HA 0.00 -0.07 0.72 -0.75 4.52 4.42 3mh4A1 MET 152 HB2 -0.00 -0.02 0.13 -0.04 2.15 2.22 3mh4A1 MET 152 HB3 -0.00 0.08 0.01 -0.04 2.03 2.08 3mh4A1 MET 152 HG2 -0.00 -0.05 -0.05 -0.04 2.63 2.48 3mh4A1 MET 152 HG3 0.00 0.10 0.05 -0.04 2.56 2.66 3mh4A1 MET 152 HE3 -0.00 0.01 -0.01 -0.04 2.10 2.05 3mh4A1 ALA 153 H 0.00 0.38 0.17 -0.55 8.40 8.40 3mh4A1 ALA 153 HA 0.00 0.11 0.58 -0.75 4.34 4.28 3mh4A1 ALA 153 HB3 0.00 -0.00 -0.10 -0.04 1.41 1.28 3mh4A1 ASP 154 H 0.00 0.17 0.11 -0.55 8.40 8.13 3mh4A1 ASP 154 HA -0.00 0.12 0.73 -0.75 4.63 4.72 3mh4A1 ASP 154 HB2 -0.00 0.11 0.11 -0.04 2.71 2.89 3mh4A1 ASP 154 HB3 0.00 0.02 0.18 -0.04 2.70 2.85 3mh4A1 SER 155 H -0.00 0.17 0.17 -0.55 8.46 8.25 3mh4A1 SER 155 HA -0.00 0.13 0.33 -0.75 4.49 4.20 3mh4A1 SER 155 HB2 -0.00 0.11 0.15 -0.04 3.95 4.16 3mh4A1 SER 155 HB3 -0.01 -0.05 0.20 -0.04 3.93 4.03 3mh4A1 ASP 156 H -0.00 0.05 -0.20 -0.55 8.40 7.70 3mh4A1 ASP 156 HA -0.00 0.08 0.35 -0.75 4.63 4.30 3mh4A1 ASP 156 HB2 -0.00 -0.03 -0.01 -0.04 2.71 2.63 3mh4A1 ASP 156 HB3 -0.00 0.09 0.02 -0.04 2.70 2.77 3mh4A1 ALA 157 H 0.00 0.29 -0.61 -0.55 8.40 7.53 3mh4A1 ALA 157 HA 0.00 0.10 0.40 -0.75 4.34 4.09 3mh4A1 ALA 157 HB3 0.00 0.00 0.07 -0.04 1.41 1.44 3mh4A1 LEU 158 H 0.00 0.50 -0.30 -0.55 8.37 8.02 3mh4A1 LEU 158 HA -0.00 -0.06 0.37 -0.75 4.35 3.91 3mh4A1 LEU 158 HB2 0.00 0.09 0.13 -0.04 1.64 1.81 3mh4A1 LEU 158 HB3 -0.00 0.01 -0.06 -0.04 1.64 1.55 3mh4A1 LEU 158 HG 0.00 -0.02 0.11 -0.04 1.64 1.70 3mh4A1 LEU 158 HD13 0.00 -0.02 0.01 -0.04 0.93 0.89 3mh4A1 LEU 158 HD23 0.00 -0.01 -0.01 -0.04 0.89 0.83 3mh4A1 ARG 159 H -0.01 0.12 0.24 -0.55 8.46 8.26 3mh4A1 ARG 159 HA -0.01 0.20 0.74 -0.75 4.34 4.52 3mh4A1 ARG 159 HB2 -0.02 -0.05 0.06 -0.04 1.90 1.84 3mh4A1 ARG 159 HB3 -0.02 -0.09 0.15 -0.04 1.80 1.80 3mh4A1 ARG 159 HG2 -0.01 0.11 -0.00 -0.04 1.67 1.73 3mh4A1 ARG 159 HG3 -0.01 0.14 -0.20 -0.04 1.67 1.57 3mh4A1 ARG 159 HD2 -0.01 -0.03 0.04 -0.04 3.22 3.17 3mh4A1 ARG 159 HD3 -0.01 0.04 0.00 -0.04 3.22 3.21 3mh4A1 VAL 160 H -0.03 0.16 0.14 -0.55 8.24 7.97 3mh4A1 VAL 160 HA -0.04 0.11 0.29 -0.75 4.13 3.73 3mh4A1 VAL 160 HB -0.03 -0.07 0.17 -0.04 2.12 2.14 3mh4A1 VAL 160 HG13 -0.05 0.11 -0.11 -0.04 0.97 0.88 3mh4A1 VAL 160 HG23 -0.03 -0.01 -0.12 -0.04 0.95 0.75 3mh4A1 GLY 161 H -0.06 0.04 0.02 -0.55 8.43 7.88 3mh4A1 GLY 161 HA2 -0.14 0.08 0.28 -0.51 4.01 3.73 3mh4A1 GLY 161 HA3 -0.11 -0.02 0.32 -0.51 4.01 3.70 3mh4A1 ASP 162 H -0.09 0.19 -0.81 -0.55 8.40 7.15 3mh4A1 ASP 162 HA -0.11 -0.01 0.33 -0.75 4.63 4.10 3mh4A1 ASP 162 HB2 -0.04 0.13 0.11 -0.04 2.71 2.87 3mh4A1 ASP 162 HB3 -0.00 0.03 0.04 -0.04 2.70 2.73 3mh4A1 TYR 163 H 0.11 0.04 0.25 -0.55 8.29 8.14 3mh4A1 TYR 163 HA -0.00 0.23 0.99 -0.75 4.56 5.02 3mh4A1 TYR 163 HB2 -0.00 -0.12 0.16 -0.04 3.06 3.06 3mh4A1 TYR 163 HB3 -0.00 0.09 0.16 -0.04 2.98 3.19 3mh4A1 TYR 163 HD2 -0.00 -0.00 0.09 -0.04 7.15 7.19 3mh4A1 TYR 163 HE2 -0.00 -0.02 0.01 -0.04 6.85 6.79 3mh4A1 THR 164 H 0.11 0.64 0.29 -0.55 8.28 8.78 3mh4A1 THR 164 HA 0.05 0.23 0.81 -0.75 4.39 4.73 3mh4A1 THR 164 HB 0.02 -0.01 -0.11 -0.04 4.32 4.17 3mh4A1 THR 164 HG23 0.01 0.00 -0.45 -0.04 1.22 0.74 3mh4A1 VAL 165 H 0.03 0.62 0.35 -0.55 8.24 8.69 3mh4A1 VAL 165 HA 0.03 0.12 0.51 -0.75 4.13 4.03 3mh4A1 VAL 165 HB 0.02 -0.04 0.13 -0.04 2.12 2.19 3mh4A1 VAL 165 HG13 0.02 -0.02 -0.22 -0.04 0.97 0.71 3mh4A1 VAL 165 HG23 0.01 0.01 -0.22 -0.04 0.95 0.71 3mh4A1 ALA 166 H 0.01 0.87 0.37 -0.55 8.40 9.10 3mh4A1 ALA 166 HA 0.01 0.32 1.12 -0.75 4.34 5.03 3mh4A1 ALA 166 HB3 0.01 -0.02 -0.00 -0.04 1.41 1.36 3mh4A1 ILE 167 H 0.01 0.58 0.27 -0.55 8.25 8.56 3mh4A1 ILE 167 HA 0.00 0.28 0.98 -0.75 4.18 4.69 3mh4A1 ILE 167 HB 0.01 -0.08 0.11 -0.04 1.89 1.89 3mh4A1 ILE 167 HG12 0.01 0.02 -0.17 -0.04 1.49 1.31 3mh4A1 ILE 167 HG13 0.01 -0.06 -0.40 -0.04 1.21 0.71 3mh4A1 ILE 167 HG23 0.01 0.01 -0.16 -0.04 0.93 0.75 3mh4A1 ILE 167 HD13 0.01 0.00 -0.15 -0.04 0.88 0.70 3mh4A1 GLY 168 H -0.01 0.58 0.26 -0.55 8.43 8.72 3mh4A1 GLY 168 HA2 -0.00 0.05 0.48 -0.51 4.01 4.03 3mh4A1 GLY 168 HA3 -0.01 -0.07 0.44 -0.51 4.01 3.86 3mh4A1 ASN 169 H -0.02 0.19 0.04 -0.55 8.53 8.19 3mh4A1 ASN 169 HA -0.03 0.29 0.87 -0.75 4.76 5.13 3mh4A1 ASN 169 HB2 0.00 0.09 0.07 -0.04 2.88 3.00 3mh4A1 ASN 169 HB3 0.01 -0.17 0.04 -0.04 2.79 2.62 3mh4A1 ASN 169 HD21 0.01 0.01 -0.14 -0.04 7.03 6.88 3mh4A1 ASN 169 HD22 0.01 0.08 -0.18 -0.04 7.74 7.61 3mh4A1 PRO 170 HA -0.27 0.10 0.41 -0.51 4.44 4.17 3mh4A1 PRO 170 HB2 -1.79 0.09 0.01 -0.04 2.28 0.55 3mh4A1 PRO 170 HB3 -0.65 -0.01 0.04 -0.04 2.02 1.36 3mh4A1 PRO 170 HG2 -0.27 0.08 -0.01 -0.04 2.03 1.78 3mh4A1 PRO 170 HG3 -0.21 0.02 -0.03 -0.04 2.03 1.77 3mh4A1 PRO 170 HD2 -0.16 0.11 0.12 -0.04 3.68 3.71 3mh4A1 PRO 170 HD3 -0.10 0.16 -0.15 -0.04 3.65 3.52 3mh4A1 PHE 171 H -0.16 0.03 -0.12 -0.55 8.34 7.53 3mh4A1 PHE 171 HA 0.02 0.29 0.82 -0.75 4.62 5.01 3mh4A1 PHE 171 HB2 0.02 -0.07 0.00 -0.04 3.15 3.06 3mh4A1 PHE 171 HB3 0.02 0.07 0.13 -0.04 3.06 3.23 3mh4A1 PHE 171 HD2 0.02 0.07 -0.08 -0.04 7.28 7.25 3mh4A1 PHE 171 HE2 0.01 0.09 -0.17 -0.04 7.38 7.27 3mh4A1 PHE 171 HZ 0.01 0.09 -0.11 -0.04 7.32 7.27 3mh4A1 GLY 172 H 0.03 0.10 -0.28 -0.55 8.43 7.74 3mh4A1 GLY 172 HA2 0.05 0.05 0.27 -0.51 4.01 3.87 3mh4A1 GLY 172 HA3 0.07 0.18 0.36 -0.51 4.01 4.11 3mh4A1 LEU 173 H 0.12 -0.03 -0.49 -0.55 8.37 7.43 3mh4A1 LEU 173 HA 0.06 0.17 0.48 -0.75 4.35 4.30 3mh4A1 LEU 173 HB2 0.11 -0.03 -0.03 -0.04 1.64 1.65 3mh4A1 LEU 173 HB3 0.06 0.01 0.13 -0.04 1.64 1.80 3mh4A1 LEU 173 HG 0.14 0.10 -0.16 -0.04 1.64 1.68 3mh4A1 LEU 173 HD13 0.09 -0.01 -0.03 -0.04 0.93 0.94 3mh4A1 LEU 173 HD23 0.05 0.01 -0.04 -0.04 0.89 0.87 3mh4A1 GLY 174 H 0.04 -0.01 -0.67 -0.55 8.43 7.25 3mh4A1 GLY 174 HA2 0.03 0.04 0.23 -0.51 4.01 3.80 3mh4A1 GLY 174 HA3 0.03 0.24 0.79 -0.51 4.01 4.56 3mh4A1 GLU 175 H 0.02 0.14 0.08 -0.55 8.60 8.29 3mh4A1 GLU 175 HA 0.01 0.24 0.38 -0.75 4.29 4.16 3mh4A1 GLU 175 HB2 0.01 0.01 0.14 -0.04 2.09 2.21 3mh4A1 GLU 175 HB3 0.01 -0.02 -0.06 -0.04 1.99 1.88 3mh4A1 GLU 175 HG2 0.02 -0.02 -0.02 -0.04 2.34 2.27 3mh4A1 GLU 175 HG3 0.01 0.05 -0.09 -0.04 2.34 2.27 3mh4A1 THR 176 H -0.00 0.82 0.48 -0.55 8.28 9.03 3mh4A1 THR 176 HA 0.02 0.15 0.85 -0.75 4.39 4.65 3mh4A1 THR 176 HB -0.03 -0.10 0.06 -0.04 4.32 4.21 3mh4A1 THR 176 HG23 0.03 0.01 -0.09 -0.04 1.22 1.13 3mh4A1 VAL 177 H 0.01 0.18 0.19 -0.55 8.24 8.08 3mh4A1 VAL 177 HA 0.01 0.41 1.25 -0.75 4.13 5.04 3mh4A1 VAL 177 HB 0.01 0.02 0.00 -0.04 2.12 2.11 3mh4A1 VAL 177 HG13 0.01 0.00 -0.04 -0.04 0.97 0.90 3mh4A1 VAL 177 HG23 0.01 -0.02 -0.20 -0.04 0.95 0.70 3mh4A1 THR 178 H 0.01 0.69 0.35 -0.55 8.28 8.78 3mh4A1 THR 178 HA 0.02 0.12 0.78 -0.75 4.39 4.55 3mh4A1 THR 178 HB 0.01 -0.00 -0.21 -0.04 4.32 4.08 3mh4A1 THR 178 HG23 0.01 0.00 -0.18 -0.04 1.22 1.00 3mh4A1 SER 179 H 0.02 0.15 0.16 -0.55 8.46 8.25 3mh4A1 SER 179 HA 0.03 0.21 1.08 -0.75 4.49 5.06 3mh4A1 SER 179 HB2 0.05 0.04 0.24 -0.04 3.95 4.24 3mh4A1 SER 179 HB3 0.02 -0.04 0.02 -0.04 3.93 3.89 3mh4A1 GLY 180 H 0.08 0.48 0.35 -0.55 8.43 8.80 3mh4A1 GLY 180 HA2 0.06 0.07 0.33 -0.51 4.01 3.96 3mh4A1 GLY 180 HA3 0.03 -0.02 0.34 -0.51 4.01 3.85 3mh4A1 ILE 181 H -0.01 0.07 0.20 -0.55 8.25 7.96 3mh4A1 ILE 181 HA -0.05 0.20 1.05 -0.75 4.18 4.62 3mh4A1 ILE 181 HB -0.18 0.24 -0.03 -0.04 1.89 1.89 3mh4A1 ILE 181 HG12 -0.05 -0.08 -0.03 -0.04 1.49 1.28 3mh4A1 ILE 181 HG13 -0.06 -0.15 -0.15 -0.04 1.21 0.81 3mh4A1 ILE 181 HG23 -0.34 -0.03 -0.20 -0.04 0.93 0.33 3mh4A1 ILE 181 HD13 -0.09 0.04 -0.13 -0.04 0.88 0.67 3mh4A1 VAL 182 H -0.09 0.77 0.22 -0.55 8.24 8.59 3mh4A1 VAL 182 HA -0.04 -0.02 0.65 -0.75 4.13 3.97 3mh4A1 VAL 182 HB -0.05 0.27 0.41 -0.04 2.12 2.70 3mh4A1 VAL 182 HG13 -0.03 -0.05 -0.17 -0.04 0.97 0.68 3mh4A1 VAL 182 HG23 -0.02 0.00 -0.06 -0.04 0.95 0.82 3mh4A1 SER 183 H -0.07 0.40 0.52 -0.55 8.46 8.76 3mh4A1 SER 183 HA -0.06 0.07 0.30 -0.75 4.49 4.05 3mh4A1 SER 183 HB2 -0.10 0.01 -0.20 -0.04 3.95 3.61 3mh4A1 SER 183 HB3 -0.07 0.00 -0.03 -0.04 3.93 3.79 3mh4A1 ALA 184 H -0.07 0.39 0.10 -0.55 8.40 8.28 3mh4A1 ALA 184 HA -0.04 0.09 0.49 -0.75 4.34 4.13 3mh4A1 ALA 184 HB3 -0.07 0.03 -0.12 -0.04 1.41 1.21 3mh4A1 LEU 185 H -0.01 0.27 0.08 -0.55 8.37 8.16 3mh4A1 LEU 185 HA 0.03 0.32 1.08 -0.75 4.35 5.02 3mh4A1 LEU 185 HB2 0.00 -0.03 0.09 -0.04 1.64 1.67 3mh4A1 LEU 185 HB3 0.02 -0.09 0.10 -0.04 1.64 1.62 3mh4A1 LEU 185 HG -0.01 -0.03 -0.41 -0.04 1.64 1.15 3mh4A1 LEU 185 HD13 -0.00 -0.01 -0.24 -0.04 0.93 0.64 3mh4A1 LEU 185 HD23 0.01 0.04 0.03 -0.04 0.89 0.93 3mh4A1 GLY 186 H 0.10 0.63 0.24 -0.55 8.43 8.85 3mh4A1 GLY 186 HA2 0.07 0.08 0.19 -0.51 4.01 3.84 3mh4A1 GLY 186 HA3 0.14 0.02 0.28 -0.51 4.01 3.93 3mh4A1 ARG 187 H 0.03 -0.09 -1.09 -0.55 8.46 6.77 3mh4A1 ARG 187 HA 0.02 0.20 0.62 -0.75 4.34 4.43 3mh4A1 ARG 187 HB2 0.03 -0.02 0.26 -0.04 1.90 2.13 3mh4A1 ARG 187 HB3 0.02 -0.18 -1.51 -0.04 1.80 0.09 3mh4A1 ARG 187 HG2 0.01 -0.01 0.08 -0.04 1.67 1.71 3mh4A1 ARG 187 HG3 0.02 0.12 0.30 -0.04 1.67 2.07 3mh4A1 ARG 187 HD2 0.01 0.04 0.01 -0.04 3.22 3.23 3mh4A1 ARG 187 HD3 0.01 0.02 -0.03 -0.04 3.22 3.17 3mh4A1 SER 188 H 0.01 0.08 0.07 -0.55 8.46 8.08 3mh4A1 SER 188 HA 0.00 0.09 0.18 -0.75 4.49 4.01 3mh4A1 SER 188 HB2 0.00 -0.07 0.10 -0.04 3.95 3.95 3mh4A1 SER 188 HB3 -0.00 0.02 0.14 -0.04 3.93 4.04 3mh4A1 ASN 197 HA 0.11 0.12 0.17 -0.75 4.76 4.41 3mh4A1 ASN 197 HB2 0.07 -0.25 0.15 -0.04 2.88 2.81 3mh4A1 ASN 197 HB3 0.04 0.14 0.05 -0.04 2.79 2.97 3mh4A1 ASN 197 HD21 -0.02 -0.11 -0.03 -0.04 7.03 6.83 3mh4A1 ASN 197 HD22 -0.01 0.09 0.01 -0.04 7.74 7.78 3mh4A1 PHE 198 H 0.11 0.10 0.22 -0.55 8.34 8.22 3mh4A1 PHE 198 HA 0.05 0.18 0.69 -0.75 4.62 4.79 3mh4A1 PHE 198 HB2 0.07 -0.01 -0.69 -0.04 3.15 2.49 3mh4A1 PHE 198 HB3 0.10 -0.08 -0.20 -0.04 3.06 2.85 3mh4A1 PHE 198 HD2 0.11 -0.03 0.09 -0.04 7.28 7.41 3mh4A1 PHE 198 HE2 0.08 -0.04 -0.09 -0.04 7.38 7.30 3mh4A1 PHE 198 HZ -0.00 0.03 -0.06 -0.04 7.32 7.24 3mh4A1 ILE 199 H 0.35 0.66 0.35 -0.55 8.25 9.06 3mh4A1 ILE 199 HA 0.06 0.22 1.17 -0.75 4.18 4.88 3mh4A1 ILE 199 HB 0.07 0.01 -0.06 -0.04 1.89 1.87 3mh4A1 ILE 199 HG12 0.03 0.04 0.01 -0.04 1.49 1.53 3mh4A1 ILE 199 HG13 0.04 -0.10 -0.30 -0.04 1.21 0.81 3mh4A1 ILE 199 HG23 0.01 -0.01 -0.31 -0.04 0.93 0.58 3mh4A1 ILE 199 HD13 0.01 -0.01 -0.08 -0.04 0.88 0.76 3mh4A1 GLN 200 H -0.05 0.62 0.31 -0.55 8.47 8.80 3mh4A1 GLN 200 HA -0.32 0.58 1.09 -0.75 4.36 4.95 3mh4A1 GLN 200 HB2 -0.23 -0.01 -0.04 -0.04 2.15 1.83 3mh4A1 GLN 200 HB3 -0.21 -0.12 -0.01 -0.04 2.02 1.63 3mh4A1 GLN 200 HG2 -0.54 -0.05 -0.14 -0.04 2.40 1.63 3mh4A1 GLN 200 HG3 -1.34 0.07 -0.11 -0.04 2.39 0.97 3mh4A1 GLN 200 HE21 -0.11 0.02 -0.12 -0.04 6.97 6.72 3mh4A1 GLN 200 HE22 -0.35 -0.03 -0.16 -0.04 7.69 7.11 3mh4A1 THR 201 H -0.15 0.64 0.29 -0.55 8.28 8.52 3mh4A1 THR 201 HA -0.07 0.08 1.09 -0.75 4.39 4.74 3mh4A1 THR 201 HB -0.03 0.03 -0.33 -0.04 4.32 3.95 3mh4A1 THR 201 HG23 -0.01 0.01 -0.29 -0.04 1.22 0.89 3mh4A1 ASP 202 H -0.04 0.33 0.26 -0.55 8.40 8.40 3mh4A1 ASP 202 HA -0.03 0.12 0.69 -0.75 4.63 4.65 3mh4A1 ASP 202 HB2 -0.01 0.08 0.23 -0.04 2.71 2.96 3mh4A1 ASP 202 HB3 -0.03 0.03 0.16 -0.04 2.70 2.81 3mh4A1 ALA 203 H -0.01 -0.01 -0.56 -0.55 8.40 7.27 3mh4A1 ALA 203 HA 0.01 0.46 0.42 -0.75 4.34 4.47 3mh4A1 ALA 203 HB3 0.02 -0.05 -0.40 -0.04 1.41 0.94 3mh4A1 ALA 204 H 0.00 0.57 -0.49 -0.55 8.40 7.94 3mh4A1 ALA 204 HA 0.00 0.13 0.75 -0.75 4.34 4.46 3mh4A1 ALA 204 HB3 0.01 -0.00 -0.22 -0.04 1.41 1.15 3mh4A1 ILE 205 H -0.02 0.11 -0.02 -0.55 8.25 7.77 3mh4A1 ILE 205 HA 0.03 0.12 0.48 -0.75 4.18 4.05 3mh4A1 ILE 205 HB -0.09 0.07 -0.13 -0.04 1.89 1.69 3mh4A1 ILE 205 HG12 -0.14 0.03 -0.07 -0.04 1.49 1.27 3mh4A1 ILE 205 HG13 -0.05 -0.02 -0.02 -0.04 1.21 1.09 3mh4A1 ILE 205 HG23 0.02 0.01 -0.07 -0.04 0.93 0.85 3mh4A1 ILE 205 HD13 -0.10 -0.04 -0.12 -0.04 0.88 0.58 3mh4A1 ASN 206 H 0.06 0.15 0.16 -0.55 8.53 8.36 3mh4A1 ASN 206 HA 0.05 -0.01 0.42 -0.75 4.76 4.47 3mh4A1 ASN 206 HB2 0.05 0.05 0.13 -0.04 2.88 3.07 3mh4A1 ASN 206 HB3 0.08 -0.00 0.12 -0.04 2.79 2.95 3mh4A1 ASN 206 HD21 0.04 0.03 -0.01 -0.04 7.03 7.04 3mh4A1 ASN 206 HD22 0.04 -0.03 0.05 -0.04 7.74 7.76 3mh4A1 ARG 207 H 0.06 0.09 0.17 -0.55 8.46 8.22 3mh4A1 ARG 207 HA 0.07 -0.02 0.37 -0.75 4.34 4.01 3mh4A1 ARG 207 HB2 0.15 0.11 -0.38 -0.04 1.90 1.74 3mh4A1 ARG 207 HB3 0.15 0.03 0.18 -0.04 1.80 2.12 3mh4A1 ARG 207 HG2 0.05 0.03 0.06 -0.04 1.67 1.77 3mh4A1 ARG 207 HG3 0.05 -0.07 -0.02 -0.04 1.67 1.59 3mh4A1 ARG 207 HD2 0.04 -0.02 -0.07 -0.04 3.22 3.12 3mh4A1 ARG 207 HD3 0.04 0.03 -0.02 -0.04 3.22 3.23 3mh4A1 GLY 208 H 0.03 0.22 -0.69 -0.55 8.43 7.45 3mh4A1 GLY 208 HA2 -0.13 0.22 0.57 -0.51 4.01 4.16 3mh4A1 GLY 208 HA3 -0.23 -0.08 0.11 -0.51 4.01 3.29 3mh4A1 ASN 209 H -0.16 0.31 0.26 -0.55 8.53 8.40 3mh4A1 ASN 209 HA -0.02 0.15 0.47 -0.75 4.76 4.60 3mh4A1 ASN 209 HB2 -0.01 0.02 0.14 -0.04 2.88 2.98 3mh4A1 ASN 209 HB3 0.06 -0.03 -0.03 -0.04 2.79 2.75 3mh4A1 ASN 209 HD21 0.06 -0.03 0.08 -0.04 7.03 7.10 3mh4A1 ASN 209 HD22 0.07 -0.04 0.08 -0.04 7.74 7.81 3mh4A1 ALA 210 H -0.02 0.13 -0.09 -0.55 8.40 7.87 3mh4A1 ALA 210 HA 0.02 -0.10 0.16 -0.75 4.34 3.67 3mh4A1 ALA 210 HB3 0.03 0.01 -0.19 -0.04 1.41 1.22 3mh4A1 GLY 211 H 0.00 -0.05 0.06 -0.55 8.43 7.89 3mh4A1 GLY 211 HA2 0.02 -0.01 0.34 -0.51 4.01 3.86 3mh4A1 GLY 211 HA3 0.00 -0.11 0.31 -0.51 4.01 3.70 3mh4A1 GLY 212 H 0.01 0.17 0.25 -0.55 8.43 8.31 3mh4A1 GLY 212 HA2 0.03 0.26 0.75 -0.51 4.01 4.54 3mh4A1 GLY 212 HA3 0.01 -0.07 0.35 -0.51 4.01 3.80 3mh4A1 ALA 213 H 0.01 0.19 0.22 -0.55 8.40 8.28 3mh4A1 ALA 213 HA 0.01 0.09 0.31 -0.75 4.34 4.00 3mh4A1 ALA 213 HB3 0.01 0.00 0.04 -0.04 1.41 1.42 3mh4A1 LEU 214 H 0.01 0.70 0.41 -0.55 8.37 8.95 3mh4A1 LEU 214 HA 0.02 0.25 0.97 -0.75 4.35 4.83 3mh4A1 LEU 214 HB2 0.02 0.05 -0.24 -0.04 1.64 1.43 3mh4A1 LEU 214 HB3 0.02 -0.18 -0.13 -0.04 1.64 1.31 3mh4A1 LEU 214 HG 0.02 0.04 -0.27 -0.04 1.64 1.40 3mh4A1 LEU 214 HD13 0.02 -0.02 -0.35 -0.04 0.93 0.53 3mh4A1 LEU 214 HD23 0.02 0.02 -0.22 -0.04 0.89 0.67 3mh4A1 VAL 215 H 0.02 0.59 0.31 -0.55 8.24 8.61 3mh4A1 VAL 215 HA 0.01 0.16 1.21 -0.75 4.13 4.76 3mh4A1 VAL 215 HB 0.01 0.08 -0.01 -0.04 2.12 2.16 3mh4A1 VAL 215 HG13 0.01 0.01 -0.18 -0.04 0.97 0.77 3mh4A1 VAL 215 HG23 0.01 0.00 -0.43 -0.04 0.95 0.49 3mh4A1 ASN 216 H 0.02 0.31 0.24 -0.55 8.53 8.55 3mh4A1 ASN 216 HA 0.04 0.33 0.81 -0.75 4.76 5.18 3mh4A1 ASN 216 HB2 0.03 0.02 0.21 -0.04 2.88 3.10 3mh4A1 ASN 216 HB3 0.02 0.04 0.10 -0.04 2.79 2.91 3mh4A1 ASN 216 HD21 0.01 0.04 -0.06 -0.04 7.03 6.99 3mh4A1 ASN 216 HD22 0.01 0.06 -0.04 -0.04 7.74 7.74 3mh4A1 LEU 217 H 0.04 0.19 0.16 -0.55 8.37 8.22 3mh4A1 LEU 217 HA 0.01 0.14 0.33 -0.75 4.35 4.08 3mh4A1 LEU 217 HB2 0.03 -0.03 0.15 -0.04 1.64 1.75 3mh4A1 LEU 217 HB3 0.00 0.06 0.01 -0.04 1.64 1.67 3mh4A1 LEU 217 HG -0.04 0.03 0.03 -0.04 1.64 1.62 3mh4A1 LEU 217 HD13 -0.02 0.01 -0.08 -0.04 0.93 0.80 3mh4A1 LEU 217 HD23 0.08 0.02 0.06 -0.04 0.89 1.00 3mh4A1 ASN 218 H 0.02 0.00 -0.21 -0.55 8.53 7.79 3mh4A1 ASN 218 HA 0.00 0.19 0.61 -0.75 4.76 4.81 3mh4A1 ASN 218 HB2 0.01 -0.10 -0.05 -0.04 2.88 2.70 3mh4A1 ASN 218 HB3 0.01 0.08 0.06 -0.04 2.79 2.89 3mh4A1 ASN 218 HD21 0.01 0.03 -0.01 -0.04 7.03 7.02 3mh4A1 ASN 218 HD22 0.01 -0.02 -0.02 -0.04 7.74 7.66 3mh4A1 GLY 219 H 0.01 0.37 -0.52 -0.55 8.43 7.74 3mh4A1 GLY 219 HA2 0.01 0.06 0.18 -0.51 4.01 3.75 3mh4A1 GLY 219 HA3 0.00 0.14 0.39 -0.51 4.01 4.04 3mh4A1 GLU 220 H 0.01 -0.12 -0.12 -0.55 8.60 7.82 3mh4A1 GLU 220 HA 0.00 0.35 0.93 -0.75 4.29 4.81 3mh4A1 GLU 220 HB2 0.01 -0.19 -0.04 -0.04 2.09 1.83 3mh4A1 GLU 220 HB3 0.00 -0.02 -0.03 -0.04 1.99 1.90 3mh4A1 GLU 220 HG2 0.00 0.07 -0.16 -0.04 2.34 2.21 3mh4A1 GLU 220 HG3 0.00 0.07 -0.38 -0.04 2.34 2.00 3mh4A1 LEU 221 H 0.00 0.50 0.20 -0.55 8.37 8.53 3mh4A1 LEU 221 HA 0.01 0.22 0.75 -0.75 4.35 4.57 3mh4A1 LEU 221 HB2 0.00 0.07 -0.02 -0.04 1.64 1.66 3mh4A1 LEU 221 HB3 0.00 -0.07 0.11 -0.04 1.64 1.65 3mh4A1 LEU 221 HG 0.00 -0.12 -0.18 -0.04 1.64 1.30 3mh4A1 LEU 221 HD13 0.01 0.09 0.02 -0.04 0.93 1.00 3mh4A1 LEU 221 HD23 -0.00 0.01 -0.11 -0.04 0.89 0.75 3mh4A1 ILE 222 H 0.01 0.73 0.47 -0.55 8.25 8.91 3mh4A1 ILE 222 HA 0.00 0.11 0.92 -0.75 4.18 4.47 3mh4A1 ILE 222 HB 0.01 -0.05 0.07 -0.04 1.89 1.88 3mh4A1 ILE 222 HG12 0.01 0.22 -0.41 -0.04 1.49 1.28 3mh4A1 ILE 222 HG13 0.01 0.01 -0.49 -0.04 1.21 0.69 3mh4A1 ILE 222 HG23 0.01 0.00 -0.12 -0.04 0.93 0.79 3mh4A1 ILE 222 HD13 0.01 -0.01 -0.26 -0.04 0.88 0.58 3mh4A1 GLY 223 H 0.01 0.31 0.20 -0.55 8.43 8.40 3mh4A1 GLY 223 HA2 -0.00 0.04 0.11 -0.51 4.01 3.64 3mh4A1 GLY 223 HA3 0.01 0.15 0.51 -0.51 4.01 4.17 3mh4A1 ILE 224 H 0.00 0.42 0.12 -0.55 8.25 8.24 3mh4A1 ILE 224 HA 0.02 0.15 0.90 -0.75 4.18 4.50 3mh4A1 ILE 224 HB 0.00 -0.05 0.09 -0.04 1.89 1.89 3mh4A1 ILE 224 HG12 0.00 -0.00 -0.12 -0.04 1.49 1.33 3mh4A1 ILE 224 HG13 0.01 0.01 -0.14 -0.04 1.21 1.05 3mh4A1 ILE 224 HG23 0.03 0.02 -0.22 -0.04 0.93 0.73 3mh4A1 ILE 224 HD13 -0.00 -0.02 -0.37 -0.04 0.88 0.45 3mh4A1 ASN 225 H 0.04 0.76 0.15 -0.55 8.53 8.94 3mh4A1 ASN 225 HA 0.10 0.03 0.73 -0.75 4.76 4.86 3mh4A1 ASN 225 HB2 0.05 0.07 -0.24 -0.04 2.88 2.72 3mh4A1 ASN 225 HB3 0.07 -0.03 -0.05 -0.04 2.79 2.74 3mh4A1 ASN 225 HD21 0.02 -0.09 -0.28 -0.04 7.03 6.64 3mh4A1 ASN 225 HD22 0.03 0.13 -0.43 -0.04 7.74 7.43 3mh4A1 THR 226 H 0.16 0.63 0.40 -0.55 8.28 8.92 3mh4A1 THR 226 HA 0.13 0.23 0.93 -0.75 4.39 4.92 3mh4A1 THR 226 HB 0.11 0.05 -0.16 -0.04 4.32 4.28 3mh4A1 THR 226 HG23 0.28 -0.02 -0.32 -0.04 1.22 1.13 3mh4A1 ALA 227 H 0.02 0.20 0.15 -0.55 8.40 8.22 3mh4A1 ALA 227 HA -0.03 0.18 1.07 -0.75 4.34 4.81 3mh4A1 ALA 227 HB3 -0.23 0.01 0.10 -0.04 1.41 1.26 3mh4A1 ILE 228 H -0.11 0.19 0.14 -0.55 8.25 7.92 3mh4A1 ILE 228 HA -0.09 0.16 0.47 -0.75 4.18 3.97 3mh4A1 ILE 228 HB -0.34 0.04 0.05 -0.04 1.89 1.60 3mh4A1 ILE 228 HG12 -0.24 -0.03 0.16 -0.04 1.49 1.34 3mh4A1 ILE 228 HG13 -0.21 0.05 -0.06 -0.04 1.21 0.95 3mh4A1 ILE 228 HG23 -0.70 0.01 -0.01 -0.04 0.93 0.18 3mh4A1 ILE 228 HD13 -0.75 -0.01 -0.01 -0.04 0.88 0.08 3mh4A1 LEU 229 H -0.10 0.05 -0.22 -0.55 8.37 7.55 3mh4A1 LEU 229 HA -0.08 0.23 0.74 -0.75 4.35 4.49 3mh4A1 LEU 229 HB2 -0.06 0.13 0.19 -0.04 1.64 1.85 3mh4A1 LEU 229 HB3 -0.06 0.02 0.11 -0.04 1.64 1.68 3mh4A1 LEU 229 HG -0.09 -0.12 -0.05 -0.04 1.64 1.33 3mh4A1 LEU 229 HD13 -0.04 0.00 -0.10 -0.04 0.93 0.76 3mh4A1 LEU 229 HD23 -0.09 0.02 -0.15 -0.04 0.89 0.62 3mh4A1 ALA 230 H -0.06 0.30 -0.40 -0.55 8.40 7.69 3mh4A1 ALA 230 HA -0.07 -0.15 0.57 -0.75 4.34 3.93 3mh4A1 ALA 230 HB3 -0.03 0.04 0.03 -0.04 1.41 1.41 3mh4A1 PRO 231 HA -0.03 -0.01 0.29 -0.51 4.44 4.18 3mh4A1 PRO 231 HB2 -0.03 0.05 0.20 -0.04 2.28 2.46 3mh4A1 PRO 231 HB3 -0.02 0.01 0.11 -0.04 2.02 2.07 3mh4A1 PRO 231 HG2 -0.03 0.03 0.06 -0.04 2.03 2.06 3mh4A1 PRO 231 HG3 -0.02 0.00 0.00 -0.04 2.03 1.97 3mh4A1 PRO 231 HD2 -0.03 0.07 0.09 -0.04 3.68 3.77 3mh4A1 PRO 231 HD3 -0.03 0.19 0.48 -0.04 3.65 4.25 3mh4A1 ASP 232 H -0.07 0.45 0.47 -0.55 8.40 8.71 3mh4A1 ASP 232 HA -0.04 0.14 0.92 -0.75 4.63 4.90 3mh4A1 ASP 232 HB2 -0.03 -0.03 -0.06 -0.04 2.71 2.55 3mh4A1 ASP 232 HB3 -0.05 0.29 0.19 -0.04 2.70 3.09 3mh4A1 GLY 233 H -0.07 0.23 0.01 -0.55 8.43 8.05 3mh4A1 GLY 233 HA2 -0.24 -0.03 0.52 -0.51 4.01 3.75 3mh4A1 GLY 233 HA3 -0.15 0.05 0.37 -0.51 4.01 3.78 3mh4A1 GLY 234 H -0.07 0.23 0.33 -0.55 8.43 8.37 3mh4A1 GLY 234 HA2 -0.01 0.38 0.60 -0.51 4.01 4.47 3mh4A1 GLY 234 HA3 -0.01 0.01 0.22 -0.51 4.01 3.73 3mh4A1 ASN 235 H 0.02 0.15 0.16 -0.55 8.53 8.30 3mh4A1 ASN 235 HA 0.03 0.21 1.05 -0.75 4.76 5.30 3mh4A1 ASN 235 HB2 0.03 -0.08 0.13 -0.04 2.88 2.91 3mh4A1 ASN 235 HB3 0.04 -0.16 -0.04 -0.04 2.79 2.58 3mh4A1 ASN 235 HD21 0.04 -0.05 -0.30 -0.04 7.03 6.67 3mh4A1 ASN 235 HD22 0.05 -0.12 -0.15 -0.04 7.74 7.48 3mh4A1 ILE 236 H 0.08 0.22 0.25 -0.55 8.25 8.24 3mh4A1 ILE 236 HA 0.02 0.21 0.77 -0.75 4.18 4.43 3mh4A1 ILE 236 HB 0.01 0.02 0.05 -0.04 1.89 1.93 3mh4A1 ILE 236 HG12 0.07 -0.01 0.05 -0.04 1.49 1.56 3mh4A1 ILE 236 HG13 0.01 0.04 0.11 -0.04 1.21 1.33 3mh4A1 ILE 236 HG23 0.31 -0.04 0.06 -0.04 0.93 1.22 3mh4A1 ILE 236 HD13 0.06 0.00 -0.02 -0.04 0.88 0.89 3mh4A1 GLY 237 H 0.05 0.01 -0.03 -0.55 8.43 7.91 3mh4A1 GLY 237 HA2 0.03 0.01 0.31 -0.51 4.01 3.84 3mh4A1 GLY 237 HA3 0.03 0.22 0.72 -0.51 4.01 4.47 3mh4A1 ILE 238 H 0.06 0.14 0.01 -0.55 8.25 7.91 3mh4A1 ILE 238 HA -0.02 0.23 0.76 -0.75 4.18 4.39 3mh4A1 ILE 238 HB -0.05 0.01 -0.25 -0.04 1.89 1.55 3mh4A1 ILE 238 HG12 -0.11 0.03 -0.20 -0.04 1.49 1.16 3mh4A1 ILE 238 HG13 -0.05 0.07 0.02 -0.04 1.21 1.21 3mh4A1 ILE 238 HG23 -0.26 0.02 -0.27 -0.04 0.93 0.37 3mh4A1 ILE 238 HD13 -0.10 -0.01 -0.17 -0.04 0.88 0.55 3mh4A1 GLY 239 H -0.08 0.58 0.23 -0.55 8.43 8.61 3mh4A1 GLY 239 HA2 0.07 0.10 0.65 -0.51 4.01 4.32 3mh4A1 GLY 239 HA3 -0.01 0.05 0.27 -0.51 4.01 3.81 3mh4A1 PHE 240 H 0.28 0.24 0.31 -0.55 8.34 8.61 3mh4A1 PHE 240 HA 0.06 0.34 1.05 -0.75 4.62 5.32 3mh4A1 PHE 240 HB2 0.02 0.00 0.11 -0.04 3.15 3.24 3mh4A1 PHE 240 HB3 0.06 0.03 0.01 -0.04 3.06 3.12 3mh4A1 PHE 240 HD2 -0.45 0.02 -0.04 -0.04 7.28 6.77 3mh4A1 PHE 240 HE2 -0.20 -0.02 -0.09 -0.04 7.38 7.03 3mh4A1 PHE 240 HZ -0.13 0.01 -0.09 -0.04 7.32 7.07 3mh4A1 ALA 241 H 0.52 0.28 0.32 -0.55 8.40 8.98 3mh4A1 ALA 241 HA 0.18 0.16 0.81 -0.75 4.34 4.74 3mh4A1 ALA 241 HB3 0.09 -0.01 -0.43 -0.04 1.41 1.01 3mh4A1 ILE 242 H 0.00 0.56 0.23 -0.55 8.25 8.49 3mh4A1 ILE 242 HA -0.31 0.16 0.73 -0.75 4.18 4.00 3mh4A1 ILE 242 HB -0.07 -0.10 0.08 -0.04 1.89 1.76 3mh4A1 ILE 242 HG12 -0.03 0.09 0.11 -0.04 1.49 1.62 3mh4A1 ILE 242 HG13 -0.07 0.03 -0.01 -0.04 1.21 1.12 3mh4A1 ILE 242 HG23 -0.17 0.01 -0.08 -0.04 0.93 0.65 3mh4A1 ILE 242 HD13 -0.28 0.01 -0.08 -0.04 0.88 0.49 3mh4A1 PRO 243 HA -0.01 0.28 0.43 -0.51 4.44 4.64 3mh4A1 PRO 243 HB2 -0.02 -0.19 0.03 -0.04 2.28 2.06 3mh4A1 PRO 243 HB3 -0.01 0.10 0.07 -0.04 2.02 2.15 3mh4A1 PRO 243 HG2 -0.06 -0.12 0.04 -0.04 2.03 1.85 3mh4A1 PRO 243 HG3 -0.03 0.09 -0.02 -0.04 2.03 2.03 3mh4A1 PRO 243 HD2 -0.20 0.20 0.16 -0.04 3.68 3.80 3mh4A1 PRO 243 HD3 -0.07 0.09 0.13 -0.04 3.65 3.76 3mh4A1 SER 244 H -0.01 0.45 0.09 -0.55 8.46 8.44 3mh4A1 SER 244 HA -0.01 0.07 0.13 -0.75 4.49 3.92 3mh4A1 SER 244 HB2 -0.01 0.03 -0.04 -0.04 3.95 3.89 3mh4A1 SER 244 HB3 -0.00 -0.14 -0.48 -0.04 3.93 3.26 3mh4A1 ASN 245 H -0.02 0.02 -0.18 -0.55 8.53 7.80 3mh4A1 ASN 245 HA -0.01 0.13 0.46 -0.75 4.76 4.59 3mh4A1 ASN 245 HB2 -0.02 -0.02 0.08 -0.04 2.88 2.88 3mh4A1 ASN 245 HB3 -0.01 0.12 -0.03 -0.04 2.79 2.83 3mh4A1 ASN 245 HD21 -0.00 -0.09 0.09 -0.04 7.03 6.99 3mh4A1 ASN 245 HD22 -0.01 0.15 0.04 -0.04 7.74 7.88 3mh4A1 MET 246 H -0.03 0.08 -0.15 -0.55 8.47 7.82 3mh4A1 MET 246 HA -0.04 0.07 0.38 -0.75 4.52 4.18 3mh4A1 MET 246 HB2 -0.06 0.01 0.06 -0.04 2.15 2.11 3mh4A1 MET 246 HB3 -0.08 0.11 -0.01 -0.04 2.03 2.01 3mh4A1 MET 246 HG2 -0.12 0.10 -0.02 -0.04 2.63 2.55 3mh4A1 MET 246 HG3 -0.09 -0.01 -0.19 -0.04 2.56 2.23 3mh4A1 MET 246 HE3 -0.03 0.01 -0.05 -0.04 2.10 1.98 3mh4A1 VAL 247 H -0.04 0.40 -0.60 -0.55 8.24 7.45 3mh4A1 VAL 247 HA -0.04 0.02 0.28 -0.75 4.13 3.64 3mh4A1 VAL 247 HB -0.02 0.23 0.10 -0.04 2.12 2.39 3mh4A1 VAL 247 HG13 -0.02 -0.02 -0.22 -0.04 0.97 0.66 3mh4A1 VAL 247 HG23 -0.03 0.06 -0.17 -0.04 0.95 0.77 3mh4A1 LYS 248 H -0.02 0.49 -0.02 -0.55 8.42 8.31 3mh4A1 LYS 248 HA -0.03 -0.00 0.39 -0.75 4.32 3.93 3mh4A1 LYS 248 HB2 -0.02 0.01 0.11 -0.04 1.87 1.93 3mh4A1 LYS 248 HB3 -0.02 0.04 0.20 -0.04 1.79 1.98 3mh4A1 LYS 248 HG2 -0.02 0.00 -0.30 -0.04 1.46 1.10 3mh4A1 LYS 248 HG3 -0.02 -0.02 -0.00 -0.04 1.46 1.38 3mh4A1 LYS 248 HD2 -0.01 -0.01 -0.03 -0.04 1.69 1.60 3mh4A1 LYS 248 HD3 -0.01 -0.00 -0.05 -0.04 1.68 1.58 3mh4A1 LYS 248 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 3mh4A1 LYS 248 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 3mh4A1 ASN 249 H -0.02 0.63 -0.03 -0.55 8.53 8.56 3mh4A1 ASN 249 HA -0.01 0.01 0.43 -0.75 4.76 4.43 3mh4A1 ASN 249 HB2 -0.01 -0.03 0.06 -0.04 2.88 2.85 3mh4A1 ASN 249 HB3 -0.02 0.06 0.11 -0.04 2.79 2.90 3mh4A1 ASN 249 HD21 -0.00 0.53 0.05 -0.04 7.03 7.56 3mh4A1 ASN 249 HD22 -0.01 -0.08 -0.07 -0.04 7.74 7.54 3mh4A1 LEU 250 H -0.03 0.69 -0.13 -0.55 8.37 8.36 3mh4A1 LEU 250 HA -0.01 -0.03 0.30 -0.75 4.35 3.85 3mh4A1 LEU 250 HB2 -0.03 0.24 0.16 -0.04 1.64 1.97 3mh4A1 LEU 250 HB3 -0.03 -0.08 -0.15 -0.04 1.64 1.35 3mh4A1 LEU 250 HG -0.03 0.02 0.02 -0.04 1.64 1.61 3mh4A1 LEU 250 HD13 -0.05 -0.01 -0.13 -0.04 0.93 0.69 3mh4A1 LEU 250 HD23 -0.02 -0.03 -0.02 -0.04 0.89 0.78 3mh4A1 THR 251 H -0.04 0.42 -0.55 -0.55 8.28 7.57 3mh4A1 THR 251 HA -0.07 -0.01 0.19 -0.75 4.39 3.75 3mh4A1 THR 251 HB -0.05 0.36 0.11 -0.04 4.32 4.70 3mh4A1 THR 251 HG23 -0.09 0.04 -0.14 -0.04 1.22 0.99 3mh4A1 SER 252 H -0.05 0.58 -0.10 -0.55 8.46 8.35 3mh4A1 SER 252 HA -0.12 0.01 0.48 -0.75 4.49 4.10 3mh4A1 SER 252 HB2 -0.03 0.12 0.11 -0.04 3.95 4.11 3mh4A1 SER 252 HB3 -0.06 -0.05 0.05 -0.04 3.93 3.82 3mh4A1 GLN 253 H -0.01 0.44 -0.25 -0.55 8.47 8.10 3mh4A1 GLN 253 HA 0.07 0.05 0.57 -0.75 4.36 4.30 3mh4A1 GLN 253 HB2 0.06 0.14 0.03 -0.04 2.15 2.33 3mh4A1 GLN 253 HB3 0.20 0.01 0.15 -0.04 2.02 2.34 3mh4A1 GLN 253 HG2 0.18 -0.02 0.01 -0.04 2.40 2.53 3mh4A1 GLN 253 HG3 0.05 0.22 -0.02 -0.04 2.39 2.60 3mh4A1 GLN 253 HE21 0.01 0.01 -0.06 -0.04 6.97 6.89 3mh4A1 GLN 253 HE22 0.02 0.05 -0.18 -0.04 7.69 7.54 3mh4A1 MET 254 H -0.03 0.31 -0.42 -0.55 8.47 7.78 3mh4A1 MET 254 HA 0.01 -0.00 0.20 -0.75 4.52 3.97 3mh4A1 MET 254 HB2 -0.09 0.15 -0.03 -0.04 2.15 2.13 3mh4A1 MET 254 HB3 -0.04 -0.04 -0.22 -0.04 2.03 1.69 3mh4A1 MET 254 HG2 -0.01 -0.10 -0.27 -0.04 2.63 2.21 3mh4A1 MET 254 HG3 -0.03 0.30 -0.05 -0.04 2.56 2.74 3mh4A1 MET 254 HE3 -0.01 0.00 -0.40 -0.04 2.10 1.65 3mh4A1 VAL 255 H -0.15 0.38 -0.16 -0.55 8.24 7.76 3mh4A1 VAL 255 HA -0.14 0.06 0.38 -0.75 4.13 3.67 3mh4A1 VAL 255 HB -0.18 0.06 0.12 -0.04 2.12 2.08 3mh4A1 VAL 255 HG13 -0.08 -0.01 -0.14 -0.04 0.97 0.69 3mh4A1 VAL 255 HG23 -0.53 0.02 -0.01 -0.04 0.95 0.39 3mh4A1 GLU 256 H -0.21 0.35 -0.34 -0.55 8.60 7.85 3mh4A1 GLU 256 HA -0.26 0.05 0.45 -0.75 4.29 3.78 3mh4A1 GLU 256 HB2 -0.35 -0.03 0.10 -0.04 2.09 1.77 3mh4A1 GLU 256 HB3 -0.75 0.05 0.17 -0.04 1.99 1.42 3mh4A1 GLU 256 HG2 -1.32 -0.05 -0.03 -0.04 2.34 0.90 3mh4A1 GLU 256 HG3 -1.01 0.02 -0.02 -0.04 2.34 1.30 3mh4A1 TYR 257 H -0.09 0.39 -0.10 -0.55 8.29 7.94 3mh4A1 TYR 257 HA -0.01 0.21 1.07 -0.75 4.56 5.08 3mh4A1 TYR 257 HB2 -0.02 0.30 0.14 -0.04 3.06 3.44 3mh4A1 TYR 257 HB3 -0.01 -0.09 0.15 -0.04 2.98 2.98 3mh4A1 TYR 257 HD2 -0.01 0.07 0.08 -0.04 7.15 7.24 3mh4A1 TYR 257 HE2 -0.01 -0.04 -0.01 -0.04 6.85 6.75 3mh4A1 GLY 258 H 0.01 0.50 0.09 -0.55 8.43 8.48 3mh4A1 GLY 258 HA2 0.01 0.28 0.53 -0.51 4.01 4.32 3mh4A1 GLY 258 HA3 0.04 0.03 0.66 -0.51 4.01 4.23 3mh4A1 GLN 259 H 0.11 0.22 -0.58 -0.55 8.47 7.68 3mh4A1 GLN 259 HA 0.02 0.04 0.33 -0.75 4.36 3.99 3mh4A1 GLN 259 HB2 0.01 -0.03 0.23 -0.04 2.15 2.32 3mh4A1 GLN 259 HB3 0.02 0.13 -0.18 -0.04 2.02 1.95 3mh4A1 GLN 259 HG2 0.01 -0.01 -0.58 -0.04 2.40 1.78 3mh4A1 GLN 259 HG3 0.00 -0.03 -0.08 -0.04 2.39 2.24 3mh4A1 GLN 259 HE21 -0.00 0.02 -0.05 -0.04 6.97 6.90 3mh4A1 GLN 259 HE22 -0.03 -0.08 -0.18 -0.04 7.69 7.35 3mh4A1 VAL 260 H 0.02 0.19 0.10 -0.55 8.24 7.99 3mh4A1 VAL 260 HA 0.06 0.08 0.69 -0.75 4.13 4.20 3mh4A1 VAL 260 HB 0.01 0.08 0.04 -0.04 2.12 2.21 3mh4A1 VAL 260 HG13 -0.00 0.00 0.10 -0.04 0.97 1.03 3mh4A1 VAL 260 HG23 -0.00 0.01 -0.15 -0.04 0.95 0.77 3mh4A1 LYS 261 H -0.02 0.14 0.11 -0.55 8.42 8.10 3mh4A1 LYS 261 HA -0.07 0.08 0.48 -0.75 4.32 4.05 3mh4A1 LYS 261 HB2 -0.17 -0.06 0.13 -0.04 1.87 1.73 3mh4A1 LYS 261 HB3 -0.15 0.08 -0.06 -0.04 1.79 1.62 3mh4A1 LYS 261 HG2 -0.24 0.03 -0.01 -0.04 1.46 1.20 3mh4A1 LYS 261 HG3 -0.40 0.06 -0.02 -0.04 1.46 1.06 3mh4A1 LYS 261 HD2 -0.97 -0.01 0.01 -0.04 1.69 0.67 3mh4A1 LYS 261 HD3 -0.34 -0.02 -0.01 -0.04 1.68 1.27 3mh4A1 LYS 261 HE2 -0.89 0.06 0.00 -0.04 2.99 2.12 3mh4A1 LYS 261 HE3 -0.51 -0.02 -0.00 -0.04 2.99 2.42 3mh4A1 ARG 262 H -0.04 0.14 0.20 -0.55 8.46 8.21 3mh4A1 ARG 262 HA -0.02 0.16 0.52 -0.75 4.34 4.24 3mh4A1 ARG 262 HB2 -0.03 -0.07 0.18 -0.04 1.90 1.94 3mh4A1 ARG 262 HB3 -0.02 0.16 0.05 -0.04 1.80 1.96 3mh4A1 ARG 262 HG2 -0.02 -0.02 0.08 -0.04 1.67 1.67 3mh4A1 ARG 262 HG3 -0.01 0.01 0.05 -0.04 1.67 1.67 3mh4A1 ARG 262 HD2 -0.01 0.14 -0.39 -0.04 3.22 2.91 3mh4A1 ARG 262 HD3 -0.02 -0.09 -0.25 -0.04 3.22 2.82 3mh4A1 GLY 263 H -0.02 0.44 0.06 -0.55 8.43 8.36 3mh4A1 GLY 263 HA2 -0.03 0.15 0.63 -0.51 4.01 4.25 3mh4A1 GLY 263 HA3 -0.02 -0.09 0.30 -0.51 4.01 3.69 3mh4A1 GLU 264 H -0.02 0.21 -0.36 -0.55 8.60 7.88 3mh4A1 GLU 264 HA -0.01 0.14 0.40 -0.75 4.29 4.06 3mh4A1 GLU 264 HB2 -0.01 -0.05 0.08 -0.04 2.09 2.07 3mh4A1 GLU 264 HB3 -0.01 0.08 0.19 -0.04 1.99 2.21 3mh4A1 GLU 264 HG2 -0.02 0.04 0.02 -0.04 2.34 2.34 3mh4A1 GLU 264 HG3 -0.01 -0.05 0.11 -0.04 2.34 2.35 3mh4A1 LEU 265 H -0.01 0.38 0.19 -0.55 8.37 8.39 3mh4A1 LEU 265 HA -0.00 0.07 0.88 -0.75 4.35 4.54 3mh4A1 LEU 265 HB2 -0.01 -0.02 -0.06 -0.04 1.64 1.51 3mh4A1 LEU 265 HB3 -0.01 -0.04 -0.33 -0.04 1.64 1.22 3mh4A1 LEU 265 HG -0.01 0.14 0.03 -0.04 1.64 1.77 3mh4A1 LEU 265 HD13 -0.01 -0.06 -0.08 -0.04 0.93 0.74 3mh4A1 LEU 265 HD23 -0.01 0.06 0.15 -0.04 0.89 1.05 3mh4A1 GLY 266 H 0.01 0.11 -0.10 -0.55 8.43 7.90 3mh4A1 GLY 266 HA2 0.01 0.19 0.67 -0.51 4.01 4.36 3mh4A1 GLY 266 HA3 0.01 -0.14 0.31 -0.51 4.01 3.68 3mh4A1 ILE 267 H 0.01 -0.04 -0.05 -0.55 8.25 7.62 3mh4A1 ILE 267 HA 0.00 0.16 0.20 -0.75 4.18 3.79 3mh4A1 ILE 267 HB -0.00 -0.08 -0.22 -0.04 1.89 1.55 3mh4A1 ILE 267 HG12 -0.01 0.05 -0.15 -0.04 1.49 1.34 3mh4A1 ILE 267 HG13 -0.01 0.34 -1.07 -0.04 1.21 0.43 3mh4A1 ILE 267 HG23 -0.00 0.01 -0.07 -0.04 0.93 0.83 3mh4A1 ILE 267 HD13 -0.01 0.00 -0.13 -0.04 0.88 0.70 3mh4A1 MET 268 H 0.01 0.12 -0.08 -0.55 8.47 7.97 3mh4A1 MET 268 HA 0.03 0.07 0.28 -0.75 4.52 4.15 3mh4A1 MET 268 HB2 0.01 0.45 0.36 -0.04 2.15 2.93 3mh4A1 MET 268 HB3 0.02 -0.13 0.10 -0.04 2.03 1.97 3mh4A1 MET 268 HG2 0.02 -0.02 0.05 -0.04 2.63 2.63 3mh4A1 MET 268 HG3 0.03 0.02 -0.00 -0.04 2.56 2.57 3mh4A1 MET 268 HE3 0.02 0.03 -0.02 -0.04 2.10 2.09 3mh4A1 GLY 269 H 0.05 0.14 0.13 -0.55 8.43 8.21 3mh4A1 GLY 269 HA2 0.07 -0.05 0.92 -0.51 4.01 4.44 3mh4A1 GLY 269 HA3 0.06 0.15 0.44 -0.51 4.01 4.15 3mh4A1 THR 270 H 0.26 0.21 0.04 -0.55 8.28 8.25 3mh4A1 THR 270 HA -0.02 0.15 0.75 -0.75 4.39 4.52 3mh4A1 THR 270 HB -0.09 -0.02 0.03 -0.04 4.32 4.19 3mh4A1 THR 270 HG23 0.01 0.01 -0.16 -0.04 1.22 1.04 3mh4A1 GLU 271 H -0.40 0.13 0.10 -0.55 8.60 7.88 3mh4A1 GLU 271 HA -0.55 -0.03 0.41 -0.75 4.29 3.37 3mh4A1 GLU 271 HB2 -2.37 -0.02 0.16 -0.04 2.09 -0.18 3mh4A1 GLU 271 HB3 -0.59 -0.03 0.08 -0.04 1.99 1.40 3mh4A1 GLU 271 HG2 -0.29 0.33 -0.23 -0.04 2.34 2.11 3mh4A1 GLU 271 HG3 -0.54 -0.10 0.13 -0.04 2.34 1.79 3mh4A1 LEU 272 H -0.06 0.09 0.30 -0.55 8.37 8.16 3mh4A1 LEU 272 HA -0.13 0.07 0.66 -0.75 4.35 4.19 3mh4A1 LEU 272 HB2 0.11 -0.04 0.21 -0.04 1.64 1.89 3mh4A1 LEU 272 HB3 0.04 0.04 0.10 -0.04 1.64 1.78 3mh4A1 LEU 272 HG 0.24 0.04 -0.06 -0.04 1.64 1.81 3mh4A1 LEU 272 HD13 0.09 -0.01 -0.23 -0.04 0.93 0.74 3mh4A1 LEU 272 HD23 -0.01 -0.06 -0.06 -0.04 0.89 0.72 3mh4A1 ASN 273 H -0.17 0.14 0.07 -0.55 8.53 8.03 3mh4A1 ASN 273 HA -0.09 0.07 0.34 -0.75 4.76 4.33 3mh4A1 ASN 273 HB2 -0.06 0.32 0.54 -0.04 2.88 3.64 3mh4A1 ASN 273 HB3 -0.05 -0.00 0.21 -0.04 2.79 2.91 3mh4A1 ASN 273 HD21 0.01 -0.04 -0.01 -0.04 7.03 6.94 3mh4A1 ASN 273 HD22 -0.00 0.03 0.02 -0.04 7.74 7.75 3mh4A1 SER 274 H -0.22 0.18 -0.24 -0.55 8.46 7.63 3mh4A1 SER 274 HA -0.12 0.23 0.48 -0.75 4.49 4.34 3mh4A1 SER 274 HB2 -0.14 -0.11 0.17 -0.04 3.95 3.83 3mh4A1 SER 274 HB3 -0.20 0.05 -0.05 -0.04 3.93 3.69 3mh4A1 GLU 275 H -0.11 0.13 0.13 -0.55 8.60 8.20 3mh4A1 GLU 275 HA -0.08 0.20 0.42 -0.75 4.29 4.08 3mh4A1 GLU 275 HB2 -0.06 -0.01 0.17 -0.04 2.09 2.15 3mh4A1 GLU 275 HB3 -0.06 -0.01 0.11 -0.04 1.99 1.98 3mh4A1 GLU 275 HG2 -0.05 0.03 0.03 -0.04 2.34 2.32 3mh4A1 GLU 275 HG3 -0.04 0.02 0.02 -0.04 2.34 2.30 3mh4A1 LEU 276 H -0.12 0.07 0.05 -0.55 8.37 7.83 3mh4A1 LEU 276 HA -0.09 0.21 0.51 -0.75 4.35 4.23 3mh4A1 LEU 276 HB2 -0.06 -0.05 0.02 -0.04 1.64 1.51 3mh4A1 LEU 276 HB3 -0.01 0.07 0.12 -0.04 1.64 1.78 3mh4A1 LEU 276 HG -0.04 -0.08 0.03 -0.04 1.64 1.50 3mh4A1 LEU 276 HD13 0.00 0.01 -0.00 -0.04 0.93 0.90 3mh4A1 LEU 276 HD23 -0.02 0.03 -0.04 -0.04 0.89 0.82 3mh4A1 ALA 277 H -0.33 -0.04 -0.74 -0.55 8.40 6.74 3mh4A1 ALA 277 HA -1.55 0.24 0.65 -0.75 4.34 2.93 3mh4A1 ALA 277 HB3 -0.78 -0.05 0.04 -0.04 1.41 0.58 3mh4A1 LYS 278 H -0.24 0.37 -0.14 -0.55 8.42 7.85 3mh4A1 LYS 278 HA -0.11 0.00 0.33 -0.75 4.32 3.79 3mh4A1 LYS 278 HB2 -0.11 0.31 0.04 -0.04 1.87 2.07 3mh4A1 LYS 278 HB3 -0.07 0.06 -0.09 -0.04 1.79 1.65 3mh4A1 LYS 278 HG2 -0.09 -0.30 0.07 -0.04 1.46 1.09 3mh4A1 LYS 278 HG3 -0.06 0.12 0.04 -0.04 1.46 1.51 3mh4A1 LYS 278 HD2 -0.04 0.06 0.02 -0.04 1.69 1.70 3mh4A1 LYS 278 HD3 -0.05 -0.00 0.05 -0.04 1.68 1.65 3mh4A1 LYS 278 HE2 -0.03 -0.10 0.05 -0.04 2.99 2.87 3mh4A1 LYS 278 HE3 -0.03 0.03 0.05 -0.04 2.99 2.99 3mh4A1 ALA 279 H -0.14 0.02 -0.68 -0.55 8.40 7.06 3mh4A1 ALA 279 HA -0.04 0.03 0.26 -0.75 4.34 3.84 3mh4A1 ALA 279 HB3 -0.05 0.02 -0.01 -0.04 1.41 1.33 3mh4A1 MET 280 H -0.04 0.20 -0.48 -0.55 8.47 7.60 3mh4A1 MET 280 HA 0.03 0.12 0.50 -0.75 4.52 4.40 3mh4A1 MET 280 HB2 0.15 0.12 0.13 -0.04 2.15 2.51 3mh4A1 MET 280 HB3 0.10 -0.35 0.25 -0.04 2.03 1.99 3mh4A1 MET 280 HG2 0.15 0.01 0.07 -0.04 2.63 2.82 3mh4A1 MET 280 HG3 0.06 0.01 0.01 -0.04 2.56 2.60 3mh4A1 MET 280 HE3 0.09 -0.02 0.01 -0.04 2.10 2.14 3mh4A1 LYS 281 H 0.07 0.09 0.09 -0.55 8.42 8.12 3mh4A1 LYS 281 HA 0.03 0.07 0.28 -0.75 4.32 3.94 3mh4A1 LYS 281 HB2 0.06 -0.02 0.17 -0.04 1.87 2.04 3mh4A1 LYS 281 HB3 0.03 -0.10 0.09 -0.04 1.79 1.77 3mh4A1 LYS 281 HG2 0.03 0.05 0.03 -0.04 1.46 1.53 3mh4A1 LYS 281 HG3 0.03 0.01 0.05 -0.04 1.46 1.51 3mh4A1 LYS 281 HD2 0.05 -0.08 0.11 -0.04 1.69 1.73 3mh4A1 LYS 281 HD3 0.07 0.06 0.09 -0.04 1.68 1.86 3mh4A1 LYS 281 HE2 0.03 0.01 0.02 -0.04 2.99 3.02 3mh4A1 LYS 281 HE3 0.02 0.04 0.01 -0.04 2.99 3.01 3mh4A1 VAL 282 H 0.05 0.12 -0.04 -0.55 8.24 7.83 3mh4A1 VAL 282 HA 0.03 -0.07 0.19 -0.75 4.13 3.52 3mh4A1 VAL 282 HB 0.00 0.31 0.31 -0.04 2.12 2.70 3mh4A1 VAL 282 HG13 -0.00 -0.06 0.12 -0.04 0.97 1.00 3mh4A1 VAL 282 HG23 -0.01 0.01 -0.34 -0.04 0.95 0.57 3mh4A1 ASP 283 H 0.02 0.03 -0.53 -0.55 8.40 7.37 3mh4A1 ASP 283 HA 0.01 0.09 0.74 -0.75 4.63 4.72 3mh4A1 ASP 283 HB2 0.01 0.08 -0.02 -0.04 2.71 2.74 3mh4A1 ASP 283 HB3 0.01 -0.01 0.08 -0.04 2.70 2.73 3mh4A1 ALA 284 H 0.01 0.13 0.10 -0.55 8.40 8.09 3mh4A1 ALA 284 HA 0.01 0.00 0.31 -0.75 4.34 3.91 3mh4A1 ALA 284 HB3 0.01 0.07 0.26 -0.04 1.41 1.71 3mh4A1 GLN 285 H 0.02 0.05 -0.09 -0.55 8.47 7.90 3mh4A1 GLN 285 HA 0.04 0.06 0.14 -0.75 4.36 3.85 3mh4A1 GLN 285 HB2 0.02 -0.29 0.18 -0.04 2.15 2.02 3mh4A1 GLN 285 HB3 0.02 0.06 0.06 -0.04 2.02 2.12 3mh4A1 GLN 285 HG2 0.01 -0.06 0.09 -0.04 2.40 2.40 3mh4A1 GLN 285 HG3 0.02 0.01 -0.05 -0.04 2.39 2.32 3mh4A1 GLN 285 HE21 0.00 -0.00 0.05 -0.04 6.97 6.98 3mh4A1 GLN 285 HE22 0.01 -0.04 0.07 -0.04 7.69 7.68 3mh4A1 ARG 286 H 0.03 0.02 0.05 -0.55 8.46 8.00 3mh4A1 ARG 286 HA 0.03 -0.06 0.40 -0.75 4.34 3.95 3mh4A1 ARG 286 HB2 0.02 -0.10 -0.21 -0.04 1.90 1.57 3mh4A1 ARG 286 HB3 0.02 0.25 0.21 -0.04 1.80 2.24 3mh4A1 ARG 286 HG2 0.03 0.04 -0.09 -0.04 1.67 1.60 3mh4A1 ARG 286 HG3 0.02 -0.06 -0.00 -0.04 1.67 1.59 3mh4A1 ARG 286 HD2 0.02 0.04 -0.01 -0.04 3.22 3.23 3mh4A1 ARG 286 HD3 0.02 -0.04 -0.03 -0.04 3.22 3.13 3mh4A1 GLY 287 H 0.06 0.10 0.19 -0.55 8.43 8.23 3mh4A1 GLY 287 HA2 0.05 0.25 0.42 -0.51 4.01 4.22 3mh4A1 GLY 287 HA3 0.05 0.15 0.49 -0.51 4.01 4.19 3mh4A1 ALA 288 H 0.06 0.58 0.16 -0.55 8.40 8.66 3mh4A1 ALA 288 HA 0.17 -0.12 0.86 -0.75 4.34 4.49 3mh4A1 ALA 288 HB3 0.11 0.10 -0.06 -0.04 1.41 1.52 3mh4A1 PHE 289 H 0.20 -0.11 0.16 -0.55 8.34 8.04 3mh4A1 PHE 289 HA 0.00 0.24 0.55 -0.75 4.62 4.65 3mh4A1 PHE 289 HB2 -0.03 -0.12 0.04 -0.04 3.15 2.99 3mh4A1 PHE 289 HB3 -0.06 0.19 -0.13 -0.04 3.06 3.02 3mh4A1 PHE 289 HD2 -0.03 -0.09 -0.13 -0.04 7.28 6.99 3mh4A1 PHE 289 HE2 -0.02 -0.07 -0.06 -0.04 7.38 7.19 3mh4A1 PHE 289 HZ -0.02 0.02 0.10 -0.04 7.32 7.38 3mh4A1 VAL 290 H -1.27 0.77 0.19 -0.55 8.24 7.37 3mh4A1 VAL 290 HA -0.09 -0.08 0.85 -0.75 4.13 4.05 3mh4A1 VAL 290 HB -0.30 0.11 -0.04 -0.04 2.12 1.85 3mh4A1 VAL 290 HG13 -0.10 -0.04 -0.23 -0.04 0.97 0.56 3mh4A1 VAL 290 HG23 -0.08 -0.00 -0.25 -0.04 0.95 0.58 3mh4A1 SER 291 H 0.05 -0.13 0.23 -0.55 8.46 8.07 3mh4A1 SER 291 HA 0.20 0.17 0.75 -0.75 4.49 4.85 3mh4A1 SER 291 HB2 0.17 0.07 0.04 -0.04 3.95 4.19 3mh4A1 SER 291 HB3 0.32 -0.09 0.05 -0.04 3.93 4.16 3mh4A1 GLN 292 H 0.02 0.05 -0.01 -0.55 8.47 7.98 3mh4A1 GLN 292 HA 0.00 0.24 0.91 -0.75 4.36 4.76 3mh4A1 GLN 292 HB2 0.02 0.28 0.09 -0.04 2.15 2.49 3mh4A1 GLN 292 HB3 0.01 -0.28 0.15 -0.04 2.02 1.86 3mh4A1 GLN 292 HG2 0.02 0.04 -0.03 -0.04 2.40 2.38 3mh4A1 GLN 292 HG3 0.04 -0.08 -0.20 -0.04 2.39 2.10 3mh4A1 GLN 292 HE21 0.01 0.02 -0.01 -0.04 6.97 6.95 3mh4A1 GLN 292 HE22 0.02 -0.01 -0.03 -0.04 7.69 7.63 3mh4A1 VAL 293 H -0.00 -0.21 0.18 -0.55 8.24 7.65 3mh4A1 VAL 293 HA -0.01 0.09 0.45 -0.75 4.13 3.90 3mh4A1 VAL 293 HB -0.03 0.14 -0.59 -0.04 2.12 1.60 3mh4A1 VAL 293 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.72 3mh4A1 VAL 293 HG23 -0.01 0.16 -0.22 -0.04 0.95 0.83 3mh4A1 LEU 294 H -0.00 -0.19 0.16 -0.55 8.37 7.79 3mh4A1 LEU 294 HA -0.00 0.11 0.30 -0.75 4.35 4.01 3mh4A1 LEU 294 HB2 0.00 0.01 0.09 -0.04 1.64 1.70 3mh4A1 LEU 294 HB3 0.00 0.08 0.04 -0.04 1.64 1.72 3mh4A1 LEU 294 HG 0.00 -0.13 0.11 -0.04 1.64 1.58 3mh4A1 LEU 294 HD13 0.00 0.02 0.03 -0.04 0.93 0.94 3mh4A1 LEU 294 HD23 -0.00 0.02 0.01 -0.04 0.89 0.88 3mh4A1 PRO 295 HA -0.00 0.11 0.41 -0.51 4.44 4.45 3mh4A1 PRO 295 HB2 -0.00 -0.07 -0.08 -0.04 2.28 2.10 3mh4A1 PRO 295 HB3 -0.00 0.09 0.06 -0.04 2.02 2.13 3mh4A1 PRO 295 HG2 0.00 0.15 -0.14 -0.04 2.03 2.00 3mh4A1 PRO 295 HG3 0.00 0.08 -0.01 -0.04 2.03 2.06 3mh4A1 PRO 295 HD2 -0.00 -0.12 -0.47 -0.04 3.68 3.05 3mh4A1 PRO 295 HD3 0.00 0.06 -0.04 -0.04 3.65 3.63 3mh4A1 ASN 296 H -0.00 0.41 -0.49 -0.55 8.53 7.90 3mh4A1 ASN 296 HA -0.00 -0.17 0.31 -0.75 4.76 4.13 3mh4A1 ASN 296 HB2 -0.00 0.24 -0.04 -0.04 2.88 3.04 3mh4A1 ASN 296 HB3 -0.00 -0.07 0.20 -0.04 2.79 2.87 3mh4A1 ASN 296 HD21 -0.00 -0.06 0.01 -0.04 7.03 6.94 3mh4A1 ASN 296 HD22 -0.00 -0.01 -0.07 -0.04 7.74 7.61 3mh4A1 SER 297 H -0.00 0.09 -0.51 -0.55 8.46 7.48 3mh4A1 SER 297 HA -0.01 0.19 0.70 -0.75 4.49 4.62 3mh4A1 SER 297 HB2 -0.01 0.04 -0.01 -0.04 3.95 3.93 3mh4A1 SER 297 HB3 -0.01 0.07 -0.04 -0.04 3.93 3.91 3mh4A1 SER 298 H -0.01 0.36 0.11 -0.55 8.46 8.37 3mh4A1 SER 298 HA -0.01 0.00 0.28 -0.75 4.49 4.01 3mh4A1 SER 298 HB2 -0.01 -0.09 0.14 -0.04 3.95 3.95 3mh4A1 SER 298 HB3 -0.01 0.21 -0.06 -0.04 3.93 4.02 3mh4A1 ALA 299 H -0.01 -0.05 -0.55 -0.55 8.40 7.25 3mh4A1 ALA 299 HA -0.01 0.22 0.80 -0.75 4.34 4.60 3mh4A1 ALA 299 HB3 -0.01 0.06 -0.08 -0.04 1.41 1.34 3mh4A1 ALA 300 H -0.01 0.04 0.00 -0.55 8.40 7.89 3mh4A1 ALA 300 HA -0.01 0.25 0.66 -0.75 4.34 4.48 3mh4A1 ALA 300 HB3 -0.00 0.04 0.11 -0.04 1.41 1.51 3mh4A1 LYS 301 H -0.01 -0.23 -0.45 -0.55 8.42 7.18 3mh4A1 LYS 301 HA -0.00 0.28 0.78 -0.75 4.32 4.62 3mh4A1 LYS 301 HB2 -0.00 0.09 0.01 -0.04 1.87 1.92 3mh4A1 LYS 301 HB3 -0.01 -0.25 0.04 -0.04 1.79 1.53 3mh4A1 LYS 301 HG2 -0.00 0.06 -0.02 -0.04 1.46 1.46 3mh4A1 LYS 301 HG3 -0.00 0.07 -0.40 -0.04 1.46 1.08 3mh4A1 LYS 301 HD2 -0.00 0.04 -0.02 -0.04 1.69 1.66 3mh4A1 LYS 301 HD3 -0.00 -0.00 0.10 -0.04 1.68 1.73 3mh4A1 LYS 301 HE2 -0.00 -0.02 0.02 -0.04 2.99 2.95 3mh4A1 LYS 301 HE3 -0.00 0.03 0.01 -0.04 2.99 2.99 3mh4A1 ALA 302 H -0.01 -0.08 -0.69 -0.55 8.40 7.08 3mh4A1 ALA 302 HA -0.01 0.18 0.37 -0.75 4.34 4.13 3mh4A1 ALA 302 HB3 -0.01 0.03 0.08 -0.04 1.41 1.47 3mh4A1 GLY 303 H -0.01 0.01 -1.09 -0.55 8.43 6.80 3mh4A1 GLY 303 HA2 -0.01 0.03 0.08 -0.51 4.01 3.60 3mh4A1 GLY 303 HA3 -0.01 0.04 0.29 -0.51 4.01 3.82 3mh4A1 ILE 304 H -0.02 0.13 -0.39 -0.55 8.25 7.43 3mh4A1 ILE 304 HA -0.03 0.11 0.60 -0.75 4.18 4.11 3mh4A1 ILE 304 HB -0.02 -0.05 0.05 -0.04 1.89 1.82 3mh4A1 ILE 304 HG12 -0.03 0.03 -0.13 -0.04 1.49 1.32 3mh4A1 ILE 304 HG13 -0.02 0.02 -0.18 -0.04 1.21 0.99 3mh4A1 ILE 304 HG23 -0.05 -0.02 -0.14 -0.04 0.93 0.69 3mh4A1 ILE 304 HD13 -0.02 -0.01 -0.03 -0.04 0.88 0.78 3mh4A1 LYS 305 H -0.04 0.20 0.10 -0.55 8.42 8.13 3mh4A1 LYS 305 HA -0.03 0.08 0.54 -0.75 4.32 4.17 3mh4A1 LYS 305 HB2 -0.02 0.07 -0.26 -0.04 1.87 1.62 3mh4A1 LYS 305 HB3 -0.02 0.10 -0.04 -0.04 1.79 1.79 3mh4A1 LYS 305 HG2 -0.01 0.04 0.00 -0.04 1.46 1.46 3mh4A1 LYS 305 HG3 -0.01 -0.35 0.15 -0.04 1.46 1.20 3mh4A1 LYS 305 HD2 -0.01 -0.07 0.01 -0.04 1.69 1.58 3mh4A1 LYS 305 HD3 -0.01 0.08 0.06 -0.04 1.68 1.76 3mh4A1 LYS 305 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 3mh4A1 LYS 305 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 3mh4A1 ALA 306 H -0.02 0.07 0.05 -0.55 8.40 7.95 3mh4A1 ALA 306 HA -0.06 0.07 0.17 -0.75 4.34 3.78 3mh4A1 ALA 306 HB3 0.01 -0.02 0.17 -0.04 1.41 1.52 3mh4A1 GLY 307 H -0.18 0.39 0.38 -0.55 8.43 8.47 3mh4A1 GLY 307 HA2 -0.03 -0.06 0.47 -0.51 4.01 3.88 3mh4A1 GLY 307 HA3 -0.03 0.10 0.66 -0.51 4.01 4.22 3mh4A1 ASP 308 H -0.20 0.26 -0.29 -0.55 8.40 7.62 3mh4A1 ASP 308 HA -0.13 0.13 0.34 -0.75 4.63 4.22 3mh4A1 ASP 308 HB2 -0.15 0.01 0.05 -0.04 2.71 2.58 3mh4A1 ASP 308 HB3 -0.11 -0.11 0.01 -0.04 2.70 2.45 3mh4A1 VAL 309 H -0.09 0.30 0.13 -0.55 8.24 8.04 3mh4A1 VAL 309 HA -0.12 0.16 0.82 -0.75 4.13 4.23 3mh4A1 VAL 309 HB 0.03 -0.00 -0.07 -0.04 2.12 2.04 3mh4A1 VAL 309 HG13 0.08 0.01 -0.17 -0.04 0.97 0.85 3mh4A1 VAL 309 HG23 0.00 -0.02 0.03 -0.04 0.95 0.92 3mh4A1 ILE 310 H -0.05 0.13 0.06 -0.55 8.25 7.84 3mh4A1 ILE 310 HA -0.01 -0.00 0.60 -0.75 4.18 4.01 3mh4A1 ILE 310 HB -0.00 0.00 0.09 -0.04 1.89 1.93 3mh4A1 ILE 310 HG12 -0.02 0.05 -0.04 -0.04 1.49 1.44 3mh4A1 ILE 310 HG13 -0.02 -0.02 -0.06 -0.04 1.21 1.07 3mh4A1 ILE 310 HG23 0.00 -0.01 -0.10 -0.04 0.93 0.78 3mh4A1 ILE 310 HD13 -0.05 -0.03 -0.07 -0.04 0.88 0.69 3mh4A1 THR 311 H 0.01 0.51 0.35 -0.55 8.28 8.60 3mh4A1 THR 311 HA 0.02 0.20 0.83 -0.75 4.39 4.69 3mh4A1 THR 311 HB 0.01 0.00 0.17 -0.04 4.32 4.46 3mh4A1 THR 311 HG23 0.02 0.07 0.20 -0.04 1.22 1.47 3mh4A1 SER 312 H 0.01 0.22 0.23 -0.55 8.46 8.37 3mh4A1 SER 312 HA 0.01 0.29 0.56 -0.75 4.49 4.59 3mh4A1 SER 312 HB2 0.00 -0.25 0.19 -0.04 3.95 3.85 3mh4A1 SER 312 HB3 0.01 -0.11 0.03 -0.04 3.93 3.82 3mh4A1 LEU 313 H 0.01 0.33 -0.09 -0.55 8.37 8.06 3mh4A1 LEU 313 HA 0.01 0.29 0.69 -0.75 4.35 4.58 3mh4A1 LEU 313 HB2 0.01 -0.02 -0.22 -0.04 1.64 1.36 3mh4A1 LEU 313 HB3 0.01 0.02 0.13 -0.04 1.64 1.76 3mh4A1 LEU 313 HG 0.01 0.02 -0.04 -0.04 1.64 1.58 3mh4A1 LEU 313 HD13 0.00 0.03 -0.05 -0.04 0.93 0.87 3mh4A1 LEU 313 HD23 0.00 -0.00 -0.12 -0.04 0.89 0.73 3mh4A1 ASN 314 H 0.01 0.35 0.15 -0.55 8.53 8.49 3mh4A1 ASN 314 HA 0.01 0.02 0.37 -0.75 4.76 4.40 3mh4A1 ASN 314 HB2 0.02 -0.11 -0.01 -0.04 2.88 2.73 3mh4A1 ASN 314 HB3 0.02 0.22 0.41 -0.04 2.79 3.40 3mh4A1 ASN 314 HD21 0.04 0.11 0.14 -0.04 7.03 7.28 3mh4A1 ASN 314 HD22 0.03 -0.01 0.15 -0.04 7.74 7.88 3mh4A1 GLY 315 H 0.01 -0.02 -0.16 -0.55 8.43 7.70 3mh4A1 GLY 315 HA2 0.01 0.01 0.31 -0.51 4.01 3.83 3mh4A1 GLY 315 HA3 0.01 0.27 0.86 -0.51 4.01 4.63 3mh4A1 LYS 316 H 0.01 0.27 -0.30 -0.55 8.42 7.84 3mh4A1 LYS 316 HA 0.01 0.13 0.40 -0.75 4.32 4.10 3mh4A1 LYS 316 HB2 0.01 0.02 0.06 -0.04 1.87 1.92 3mh4A1 LYS 316 HB3 0.00 0.05 -0.06 -0.04 1.79 1.75 3mh4A1 LYS 316 HG2 0.00 0.00 -0.00 -0.04 1.46 1.43 3mh4A1 LYS 316 HG3 0.01 0.05 0.01 -0.04 1.46 1.48 3mh4A1 LYS 316 HD2 0.00 -0.00 -0.00 -0.04 1.69 1.65 3mh4A1 LYS 316 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 3mh4A1 LYS 316 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.91 3mh4A1 LYS 316 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.95 3mh4A1 PRO 317 HA 0.01 0.31 0.56 -0.51 4.44 4.81 3mh4A1 PRO 317 HB2 0.01 -0.09 0.05 -0.04 2.28 2.21 3mh4A1 PRO 317 HB3 0.01 0.10 0.10 -0.04 2.02 2.20 3mh4A1 PRO 317 HG2 0.01 -0.01 0.11 -0.04 2.03 2.09 3mh4A1 PRO 317 HG3 0.01 0.09 0.16 -0.04 2.03 2.25 3mh4A1 PRO 317 HD2 0.00 0.03 0.21 -0.04 3.68 3.89 3mh4A1 PRO 317 HD3 0.01 0.23 0.31 -0.04 3.65 4.16 3mh4A1 ILE 318 H 0.01 0.35 -0.49 -0.55 8.25 7.57 3mh4A1 ILE 318 HA 0.01 0.06 0.56 -0.75 4.18 4.05 3mh4A1 ILE 318 HB 0.02 -0.12 -0.01 -0.04 1.89 1.73 3mh4A1 ILE 318 HG12 0.01 -0.05 -0.41 -0.04 1.49 1.00 3mh4A1 ILE 318 HG13 0.01 0.02 -0.24 -0.04 1.21 0.96 3mh4A1 ILE 318 HG23 0.03 -0.03 -0.28 -0.04 0.93 0.61 3mh4A1 ILE 318 HD13 0.00 0.00 -0.30 -0.04 0.88 0.54 3mh4A1 SER 319 H 0.01 0.19 0.06 -0.55 8.46 8.17 3mh4A1 SER 319 HA 0.03 0.12 0.31 -0.75 4.49 4.20 3mh4A1 SER 319 HB2 0.02 -0.01 0.03 -0.04 3.95 3.95 3mh4A1 SER 319 HB3 0.01 0.10 0.07 -0.04 3.93 4.07 3mh4A1 SER 320 H 0.00 0.03 0.04 -0.55 8.46 7.98 3mh4A1 SER 320 HA 0.15 0.27 0.51 -0.75 4.49 4.67 3mh4A1 SER 320 HB2 -0.17 -0.16 0.22 -0.04 3.95 3.80 3mh4A1 SER 320 HB3 -0.00 0.15 0.09 -0.04 3.93 4.12 3mh4A1 PHE 321 H 0.34 0.15 0.22 -0.55 8.34 8.50 3mh4A1 PHE 321 HA 0.03 0.25 0.64 -0.75 4.62 4.78 3mh4A1 PHE 321 HB2 0.04 0.06 0.01 -0.04 3.15 3.22 3mh4A1 PHE 321 HB3 0.05 -0.01 0.15 -0.04 3.06 3.22 3mh4A1 PHE 321 HD2 0.03 0.03 0.09 -0.04 7.28 7.39 3mh4A1 PHE 321 HE2 0.01 0.09 0.06 -0.04 7.38 7.50 3mh4A1 PHE 321 HZ 0.01 0.09 0.05 -0.04 7.32 7.42 3mh4A1 ALA 322 H -0.92 0.09 0.05 -0.55 8.40 7.07 3mh4A1 ALA 322 HA -0.17 0.13 0.54 -0.75 4.34 4.08 3mh4A1 ALA 322 HB3 -0.39 0.05 0.04 -0.04 1.41 1.07 3mh4A1 ALA 323 H -0.14 -0.01 -0.57 -0.55 8.40 7.13 3mh4A1 ALA 323 HA -0.06 0.12 0.36 -0.75 4.34 4.00 3mh4A1 ALA 323 HB3 -0.03 0.09 -0.05 -0.04 1.41 1.38 3mh4A1 LEU 324 H -0.01 0.21 -0.49 -0.55 8.37 7.53 3mh4A1 LEU 324 HA -0.00 0.11 0.50 -0.75 4.35 4.21 3mh4A1 LEU 324 HB2 0.03 0.13 0.09 -0.04 1.64 1.85 3mh4A1 LEU 324 HB3 0.02 0.01 -0.12 -0.04 1.64 1.50 3mh4A1 LEU 324 HG 0.02 0.01 -0.10 -0.04 1.64 1.53 3mh4A1 LEU 324 HD13 0.03 -0.01 -0.05 -0.04 0.93 0.86 3mh4A1 LEU 324 HD23 0.01 0.01 -0.07 -0.04 0.89 0.79 3mh4A1 ARG 325 H -0.01 0.25 -0.15 -0.55 8.46 7.99 3mh4A1 ARG 325 HA 0.00 0.01 0.15 -0.75 4.34 3.75 3mh4A1 ARG 325 HB2 -0.01 -0.01 0.15 -0.04 1.90 1.98 3mh4A1 ARG 325 HB3 -0.04 0.08 -0.01 -0.04 1.80 1.79 3mh4A1 ARG 325 HG2 0.01 -0.00 -0.03 -0.04 1.67 1.60 3mh4A1 ARG 325 HG3 0.00 0.06 -0.01 -0.04 1.67 1.68 3mh4A1 ARG 325 HD2 0.03 -0.03 -0.04 -0.04 3.22 3.14 3mh4A1 ARG 325 HD3 0.06 -0.03 -0.03 -0.04 3.22 3.17 3mh4A1 ALA 326 H -0.03 0.31 -0.60 -0.55 8.40 7.53 3mh4A1 ALA 326 HA -0.02 0.12 0.57 -0.75 4.34 4.25 3mh4A1 ALA 326 HB3 -0.03 -0.00 0.01 -0.04 1.41 1.34 3mh4A1 GLN 327 H -0.02 0.41 -0.01 -0.55 8.47 8.30 3mh4A1 GLN 327 HA -0.01 0.04 0.35 -0.75 4.36 3.99 3mh4A1 GLN 327 HB2 -0.01 0.03 0.15 -0.04 2.15 2.28 3mh4A1 GLN 327 HB3 -0.00 0.00 0.02 -0.04 2.02 2.01 3mh4A1 GLN 327 HG2 -0.01 -0.03 0.05 -0.04 2.40 2.37 3mh4A1 GLN 327 HG3 -0.02 0.05 0.16 -0.04 2.39 2.54 3mh4A1 GLN 327 HE21 -0.01 0.01 -0.08 -0.04 6.97 6.85 3mh4A1 GLN 327 HE22 -0.01 -0.07 0.00 -0.04 7.69 7.57 3mh4A1 VAL 328 H -0.01 0.58 -0.21 -0.55 8.24 8.05 3mh4A1 VAL 328 HA -0.00 0.10 0.49 -0.75 4.13 3.96 3mh4A1 VAL 328 HB -0.00 0.00 0.06 -0.04 2.12 2.13 3mh4A1 VAL 328 HG13 0.00 0.01 -0.03 -0.04 0.97 0.91 3mh4A1 VAL 328 HG23 -0.00 0.05 -0.35 -0.04 0.95 0.61 3mh4A1 GLY 329 H -0.01 0.38 -0.72 -0.55 8.43 7.54 3mh4A1 GLY 329 HA2 -0.01 0.02 0.61 -0.51 4.01 4.13 3mh4A1 GLY 329 HA3 -0.01 0.13 0.26 -0.51 4.01 3.89 3mh4A1 THR 330 H -0.01 0.28 -0.09 -0.55 8.28 7.91 3mh4A1 THR 330 HA -0.01 0.13 0.72 -0.75 4.39 4.47 3mh4A1 THR 330 HB -0.01 -0.01 0.04 -0.04 4.32 4.30 3mh4A1 THR 330 HG23 -0.00 0.03 -0.04 -0.04 1.22 1.17 3mh4A1 MET 331 H -0.01 0.06 -0.44 -0.55 8.47 7.53 3mh4A1 MET 331 HA -0.00 0.14 0.48 -0.75 4.52 4.38 3mh4A1 MET 331 HB2 -0.01 -0.01 -0.11 -0.04 2.15 1.98 3mh4A1 MET 331 HB3 -0.00 0.03 0.04 -0.04 2.03 2.06 3mh4A1 MET 331 HG2 0.00 -0.01 -0.05 -0.04 2.63 2.53 3mh4A1 MET 331 HG3 -0.00 0.04 0.05 -0.04 2.56 2.61 3mh4A1 MET 331 HE3 0.02 0.01 -0.01 -0.04 2.10 2.07 3mh4A1 PRO 332 HA -0.01 0.09 0.49 -0.51 4.44 4.50 3mh4A1 PRO 332 HB2 -0.02 0.07 -0.03 -0.04 2.28 2.26 3mh4A1 PRO 332 HB3 -0.02 -0.01 0.02 -0.04 2.02 1.97 3mh4A1 PRO 332 HG2 -0.03 0.03 0.04 -0.04 2.03 2.03 3mh4A1 PRO 332 HG3 -0.02 0.03 0.02 -0.04 2.03 2.02 3mh4A1 PRO 332 HD2 -0.02 0.08 0.17 -0.04 3.68 3.87 3mh4A1 PRO 332 HD3 -0.01 0.17 0.20 -0.04 3.65 3.98 3mh4A1 VAL 333 H -0.02 0.42 0.15 -0.55 8.24 8.25 3mh4A1 VAL 333 HA -0.01 -0.06 0.36 -0.75 4.13 3.67 3mh4A1 VAL 333 HB -0.01 -0.02 0.10 -0.04 2.12 2.15 3mh4A1 VAL 333 HG13 -0.00 -0.00 -0.23 -0.04 0.97 0.70 3mh4A1 VAL 333 HG23 -0.04 0.04 -0.12 -0.04 0.95 0.79 3mh4A1 GLY 334 H -0.01 0.18 0.11 -0.55 8.43 8.16 3mh4A1 GLY 334 HA2 -0.00 0.09 0.31 -0.51 4.01 3.89 3mh4A1 GLY 334 HA3 -0.00 0.07 0.56 -0.51 4.01 4.14 3mh4A1 SER 335 H -0.01 0.19 -0.28 -0.55 8.46 7.82 3mh4A1 SER 335 HA -0.01 0.02 0.28 -0.75 4.49 4.03 3mh4A1 SER 335 HB2 -0.01 -0.08 0.03 -0.04 3.95 3.85 3mh4A1 SER 335 HB3 -0.00 -0.06 -0.07 -0.04 3.93 3.76 3mh4A1 LYS 336 H -0.00 0.15 0.09 -0.55 8.42 8.10 3mh4A1 LYS 336 HA -0.00 0.49 1.05 -0.75 4.32 5.11 3mh4A1 LYS 336 HB2 0.00 -0.05 0.25 -0.04 1.87 2.03 3mh4A1 LYS 336 HB3 0.00 0.00 0.10 -0.04 1.79 1.85 3mh4A1 LYS 336 HG2 -0.00 0.12 -0.07 -0.04 1.46 1.47 3mh4A1 LYS 336 HG3 -0.01 -0.02 -0.06 -0.04 1.46 1.33 3mh4A1 LYS 336 HD2 -0.00 -0.05 0.02 -0.04 1.69 1.62 3mh4A1 LYS 336 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.63 3mh4A1 LYS 336 HE2 -0.00 0.05 -0.02 -0.04 2.99 2.98 3mh4A1 LYS 336 HE3 -0.01 -0.00 -0.03 -0.04 2.99 2.91 3mh4A1 LEU 337 H 0.00 0.20 -0.03 -0.55 8.37 8.00 3mh4A1 LEU 337 HA 0.01 0.21 0.90 -0.75 4.35 4.72 3mh4A1 LEU 337 HB2 0.01 0.00 -0.03 -0.04 1.64 1.58 3mh4A1 LEU 337 HB3 0.01 0.06 -0.02 -0.04 1.64 1.64 3mh4A1 LEU 337 HG 0.00 -0.05 -0.03 -0.04 1.64 1.51 3mh4A1 LEU 337 HD13 0.00 0.02 -0.08 -0.04 0.93 0.82 3mh4A1 LEU 337 HD23 -0.00 -0.00 -0.16 -0.04 0.89 0.69 3mh4A1 THR 338 H 0.01 0.18 0.15 -0.55 8.28 8.06 3mh4A1 THR 338 HA 0.00 0.26 1.00 -0.75 4.39 4.89 3mh4A1 THR 338 HB 0.00 0.08 -0.09 -0.04 4.32 4.27 3mh4A1 THR 338 HG23 0.01 -0.05 0.07 -0.04 1.22 1.20 3mh4A1 LEU 339 H -0.00 0.52 0.13 -0.55 8.37 8.47 3mh4A1 LEU 339 HA 0.00 0.24 0.90 -0.75 4.35 4.74 3mh4A1 LEU 339 HB2 -0.01 0.06 0.18 -0.04 1.64 1.83 3mh4A1 LEU 339 HB3 -0.00 -0.05 -0.04 -0.04 1.64 1.51 3mh4A1 LEU 339 HG 0.00 0.09 -0.03 -0.04 1.64 1.66 3mh4A1 LEU 339 HD13 -0.00 -0.03 -0.26 -0.04 0.93 0.60 3mh4A1 LEU 339 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.81 3mh4A1 GLY 340 H 0.00 0.07 -0.04 -0.55 8.43 7.91 3mh4A1 GLY 340 HA2 -0.00 0.13 0.66 -0.51 4.01 4.29 3mh4A1 GLY 340 HA3 0.00 0.01 0.33 -0.51 4.01 3.84 3mh4A1 LEU 341 H -0.01 0.46 0.41 -0.55 8.37 8.68 3mh4A1 LEU 341 HA -0.01 -0.06 0.62 -0.75 4.35 4.14 3mh4A1 LEU 341 HB2 -0.02 0.02 -0.03 -0.04 1.64 1.57 3mh4A1 LEU 341 HB3 -0.02 0.03 -0.10 -0.04 1.64 1.51 3mh4A1 LEU 341 HG -0.04 -0.11 -0.11 -0.04 1.64 1.34 3mh4A1 LEU 341 HD13 -0.04 0.01 -0.08 -0.04 0.93 0.78 3mh4A1 LEU 341 HD23 -0.04 0.01 -0.29 -0.04 0.89 0.53 3mh4A1 LEU 342 H -0.02 0.32 0.00 -0.55 8.37 8.14 3mh4A1 LEU 342 HA -0.00 0.01 0.89 -0.75 4.35 4.50 3mh4A1 LEU 342 HB2 0.00 0.04 0.10 -0.04 1.64 1.75 3mh4A1 LEU 342 HB3 0.00 0.09 0.21 -0.04 1.64 1.90 3mh4A1 LEU 342 HG 0.01 -0.14 0.09 -0.04 1.64 1.56 3mh4A1 LEU 342 HD13 0.02 0.03 0.05 -0.04 0.93 0.98 3mh4A1 LEU 342 HD23 0.01 -0.01 -0.18 -0.04 0.89 0.67 3mh4A1 ARG 343 H -0.00 -0.14 0.16 -0.55 8.46 7.92 3mh4A1 ARG 343 HA -0.00 0.07 0.25 -0.75 4.34 3.90 3mh4A1 ARG 343 HB2 -0.01 0.01 0.12 -0.04 1.90 1.98 3mh4A1 ARG 343 HB3 -0.03 0.15 0.12 -0.04 1.80 2.00 3mh4A1 ARG 343 HG2 -0.02 -0.05 -0.32 -0.04 1.67 1.23 3mh4A1 ARG 343 HG3 -0.01 -0.06 -0.60 -0.04 1.67 0.96 3mh4A1 ARG 343 HD2 -0.01 0.06 -0.11 -0.04 3.22 3.11 3mh4A1 ARG 343 HD3 -0.01 0.08 -0.20 -0.04 3.22 3.05 3mh4A1 ASP 344 H 0.00 -0.04 0.18 -0.55 8.40 7.99 3mh4A1 ASP 344 HA 0.00 -0.01 0.38 -0.75 4.63 4.25 3mh4A1 ASP 344 HB2 0.00 0.30 0.28 -0.04 2.71 3.25 3mh4A1 ASP 344 HB3 0.00 -0.02 0.21 -0.04 2.70 2.85 3mh4A1 GLY 345 H -0.00 -0.02 0.03 -0.55 8.43 7.89 3mh4A1 GLY 345 HA2 -0.00 -0.05 0.35 -0.51 4.01 3.80 3mh4A1 GLY 345 HA3 -0.00 0.20 0.72 -0.51 4.01 4.42 3mh4A1 LYS 346 H -0.00 0.14 0.05 -0.55 8.42 8.05 3mh4A1 LYS 346 HA -0.01 0.02 0.30 -0.75 4.32 3.87 3mh4A1 LYS 346 HB2 -0.01 0.37 0.00 -0.04 1.87 2.19 3mh4A1 LYS 346 HB3 -0.01 -0.06 -0.25 -0.04 1.79 1.44 3mh4A1 LYS 346 HG2 -0.01 -0.09 -0.22 -0.04 1.46 1.09 3mh4A1 LYS 346 HG3 -0.01 0.03 -0.01 -0.04 1.46 1.42 3mh4A1 LYS 346 HD2 -0.02 0.08 -0.08 -0.04 1.69 1.63 3mh4A1 LYS 346 HD3 -0.03 -0.12 -0.17 -0.04 1.68 1.32 3mh4A1 LYS 346 HE2 -0.02 -0.06 -0.17 -0.04 2.99 2.69 3mh4A1 LYS 346 HE3 -0.02 0.12 -0.09 -0.04 2.99 2.96 3mh4A1 GLN 347 H -0.01 0.21 -0.01 -0.55 8.47 8.12 3mh4A1 GLN 347 HA -0.01 0.22 0.70 -0.75 4.36 4.52 3mh4A1 GLN 347 HB2 -0.00 0.05 -0.03 -0.04 2.15 2.13 3mh4A1 GLN 347 HB3 -0.00 -0.02 0.08 -0.04 2.02 2.04 3mh4A1 GLN 347 HG2 -0.00 -0.00 -0.27 -0.04 2.40 2.08 3mh4A1 GLN 347 HG3 -0.00 0.07 -0.39 -0.04 2.39 2.03 3mh4A1 GLN 347 HE21 0.00 0.03 -0.10 -0.04 6.97 6.86 3mh4A1 GLN 347 HE22 0.00 -0.07 -0.24 -0.04 7.69 7.34 3mh4A1 VAL 348 H -0.01 0.23 0.19 -0.55 8.24 8.10 3mh4A1 VAL 348 HA -0.00 0.18 0.98 -0.75 4.13 4.53 3mh4A1 VAL 348 HB -0.01 0.04 0.05 -0.04 2.12 2.16 3mh4A1 VAL 348 HG13 -0.00 0.05 0.01 -0.04 0.97 0.99 3mh4A1 VAL 348 HG23 -0.01 0.00 -0.10 -0.04 0.95 0.80 3mh4A1 ASN 349 H -0.00 0.15 0.17 -0.55 8.53 8.30 3mh4A1 ASN 349 HA -0.00 0.14 0.96 -0.75 4.76 5.11 3mh4A1 ASN 349 HB2 -0.00 0.12 -0.05 -0.04 2.88 2.91 3mh4A1 ASN 349 HB3 0.00 -0.05 -0.01 -0.04 2.79 2.69 3mh4A1 ASN 349 HD21 -0.00 -0.03 -0.01 -0.04 7.03 6.94 3mh4A1 ASN 349 HD22 -0.00 0.07 -0.09 -0.04 7.74 7.67 3mh4A1 VAL 350 H -0.00 0.53 0.32 -0.55 8.24 8.54 3mh4A1 VAL 350 HA -0.00 0.17 0.82 -0.75 4.13 4.36 3mh4A1 VAL 350 HB -0.00 -0.02 0.08 -0.04 2.12 2.13 3mh4A1 VAL 350 HG13 -0.00 0.02 -0.05 -0.04 0.97 0.89 3mh4A1 VAL 350 HG23 -0.00 0.02 -0.08 -0.04 0.95 0.85 3mh4A1 ASN 351 H -0.00 0.15 0.04 -0.55 8.53 8.17 3mh4A1 ASN 351 HA -0.00 0.49 0.76 -0.75 4.76 5.25 3mh4A1 ASN 351 HB2 -0.00 0.01 -0.12 -0.04 2.88 2.72 3mh4A1 ASN 351 HB3 -0.00 -0.06 0.13 -0.04 2.79 2.82 3mh4A1 ASN 351 HD21 -0.00 -0.04 0.00 -0.04 7.03 6.94 3mh4A1 ASN 351 HD22 -0.00 -0.05 -0.03 -0.04 7.74 7.62 3mh4A1 LEU 352 H -0.01 0.27 0.01 -0.55 8.37 8.10 3mh4A1 LEU 352 HA -0.01 0.07 0.30 -0.75 4.35 3.96 3mh4A1 LEU 352 HB2 -0.01 -0.28 0.23 -0.04 1.64 1.53 3mh4A1 LEU 352 HB3 -0.01 0.02 0.04 -0.04 1.64 1.64 3mh4A1 LEU 352 HG -0.01 0.19 0.08 -0.04 1.64 1.86 3mh4A1 LEU 352 HD13 -0.01 0.02 -0.03 -0.04 0.93 0.88 3mh4A1 LEU 352 HD23 -0.01 0.01 -0.26 -0.04 0.89 0.59 3mh4A1 GLU 353 H -0.01 0.11 0.07 -0.55 8.60 8.22 3mh4A1 GLU 353 HA -0.01 0.04 0.21 -0.75 4.29 3.77 3mh4A1 GLU 353 HB2 -0.01 0.30 0.25 -0.04 2.09 2.60 3mh4A1 GLU 353 HB3 -0.01 0.00 0.13 -0.04 1.99 2.08 3mh4A1 GLU 353 HG2 -0.03 -0.08 -0.16 -0.04 2.34 2.03 3mh4A1 GLU 353 HG3 -0.02 0.02 -0.06 -0.04 2.34 2.23