============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 5 1.040 71.411 32.241 54.318 -99.200 -91.000 TRP6 5 1.020 69.222 32.900 54.895 -99.200 -91.000 PHE 21 1.000 59.651 35.918 48.046 -99.200 -91.000 TYR 43 0.840 52.282 26.341 51.289 -99.200 -91.000 PHE 44 1.000 57.812 31.451 46.588 -99.200 -91.000 TYR 48 0.840 61.771 37.360 53.918 -99.200 -91.000 TYR 54 0.840 61.906 40.601 62.784 -99.200 -91.000 TYR 68 0.840 69.319 37.441 58.205 -99.200 -91.000 TYR 72 0.840 73.594 22.235 58.324 -99.200 -91.000 TYR 84 0.840 64.316 25.630 61.036 -99.200 -91.000 TYR 98 0.840 48.239 8.986 55.622 -99.200 -91.000 PHE 101 1.000 40.992 7.894 52.591 -99.200 -91.000 PHE 113 1.000 46.222 13.322 51.744 -99.200 -91.000 TYR 118 0.840 50.321 23.514 46.923 -99.200 -91.000 HIS 134 0.900 61.729 12.790 44.360 -99.200 -91.000 TYR 143 0.840 46.147 8.279 50.715 -99.200 -91.000 TYR 169 0.840 37.749 3.791 35.899 -99.200 -91.000 PHE 170 1.000 38.192 5.771 46.507 -99.200 -91.000 HIS 179 0.900 44.502 5.219 55.333 -99.200 -91.000 HIS 190 0.900 30.779 -2.150 40.286 -99.200 -91.000 PHE 191 1.000 25.255 -7.905 46.432 -99.200 -91.000 HIS 193 0.900 23.285 0.583 40.524 -99.200 -91.000 PHE 196 1.000 24.863 -10.081 41.627 -99.200 -91.000 TYR 201 0.840 38.921 -7.338 41.445 -99.200 -91.000 PHE 202 1.000 35.459 -3.671 42.363 -99.200 -91.000 PHE 206 1.000 36.676 -4.986 53.161 -99.200 -91.000 PHE 237 1.000 38.297 -2.311 37.592 -99.200 -91.000 TYR 240 0.840 41.609 -11.268 36.588 -99.200 -91.000 PHE 243 1.000 43.199 -0.013 34.581 -99.200 -91.000 TYR 250 0.840 38.840 11.977 37.870 -99.200 -91.000 TYR 254 0.840 43.329 0.213 29.283 -99.200 -91.000 TYR 269 0.840 46.681 14.914 34.180 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mv3A1 GLU 900 HA -0.31 0.01 0.22 -0.75 4.29 3.46 3mv3A1 GLU 900 HB2 -0.42 0.03 0.05 -0.04 2.09 1.71 3mv3A1 GLU 900 HB3 -0.90 -0.09 0.11 -0.04 1.99 1.08 3mv3A1 GLU 900 HG2 -1.78 0.03 -0.08 -0.04 2.34 0.46 3mv3A1 GLU 900 HG3 -1.53 0.04 -0.45 -0.04 2.34 0.35 3mv3A1 THR 901 H -0.80 0.19 0.09 -0.55 8.28 7.21 3mv3A1 THR 901 HA -1.35 0.07 0.37 -0.75 4.39 2.73 3mv3A1 THR 901 HB -0.35 -0.03 0.16 -0.04 4.32 4.07 3mv3A1 THR 901 HG23 -0.11 -0.03 -0.16 -0.04 1.22 0.88 3mv3A1 ALA 902 H -0.25 0.10 -0.52 -0.55 8.40 7.18 3mv3A1 ALA 902 HA -0.04 0.03 0.44 -0.75 4.34 4.01 3mv3A1 ALA 902 HB3 -0.07 0.01 0.03 -0.04 1.41 1.34 3mv3A1 ILE 903 H -0.13 0.30 0.04 -0.55 8.25 7.91 3mv3A1 ILE 903 HA 0.03 -0.03 0.36 -0.75 4.18 3.80 3mv3A1 ILE 903 HB 0.01 0.08 0.06 -0.04 1.89 2.00 3mv3A1 ILE 903 HG12 -0.00 -0.01 0.09 -0.04 1.49 1.52 3mv3A1 ILE 903 HG13 -0.06 -0.10 0.13 -0.04 1.21 1.14 3mv3A1 ILE 903 HG23 0.10 0.02 0.03 -0.04 0.93 1.05 3mv3A1 ILE 903 HD13 -0.04 -0.00 0.05 -0.04 0.88 0.85 3mv3A1 TRP 904 H 0.04 0.21 -0.69 -0.55 7.97 6.98 3mv3A1 TRP 904 HA 0.00 0.21 0.49 -0.75 4.62 4.57 3mv3A1 TRP 904 HB2 -0.01 0.25 0.27 -0.04 3.23 3.70 3mv3A1 TRP 904 HB3 0.01 -0.02 0.06 -0.04 3.23 3.23 3mv3A1 TRP 904 HD1 -0.02 0.09 -0.32 -0.04 7.22 6.92 3mv3A1 TRP 904 HE1 -0.04 -0.04 -0.34 -0.04 10.20 9.74 3mv3A1 TRP 904 HE3 0.04 0.04 -0.07 -0.04 7.59 7.57 3mv3A1 TRP 904 HZ2 0.08 -0.04 -0.18 -0.04 7.44 7.25 3mv3A1 TRP 904 HZ3 0.09 0.25 -0.39 -0.04 7.13 7.04 3mv3A1 TRP 904 HH2 0.19 0.05 -0.04 -0.04 7.19 7.35 3mv3A1 ILE 905 H 0.22 0.35 0.17 -0.55 8.25 8.44 3mv3A1 ILE 905 HA 0.13 0.15 0.34 -0.75 4.18 4.05 3mv3A1 ILE 905 HB 0.07 0.00 0.15 -0.04 1.89 2.07 3mv3A1 ILE 905 HG12 0.14 -0.00 0.04 -0.04 1.49 1.63 3mv3A1 ILE 905 HG13 0.17 0.13 0.17 -0.04 1.21 1.64 3mv3A1 ILE 905 HG23 0.06 -0.03 -0.12 -0.04 0.93 0.80 3mv3A1 ILE 905 HD13 0.08 -0.03 -0.02 -0.04 0.88 0.87 3mv3A1 LYS 906 H 0.08 0.77 -0.28 -0.55 8.42 8.44 3mv3A1 LYS 906 HA 0.04 -0.06 0.35 -0.75 4.32 3.90 3mv3A1 LYS 906 HB2 0.03 -0.11 -0.01 -0.04 1.87 1.74 3mv3A1 LYS 906 HB3 0.05 0.09 0.04 -0.04 1.79 1.92 3mv3A1 LYS 906 HG2 0.03 0.06 -0.32 -0.04 1.46 1.19 3mv3A1 LYS 906 HG3 0.02 -0.08 -0.01 -0.04 1.46 1.35 3mv3A1 LYS 906 HD2 0.01 -0.07 -0.04 -0.04 1.69 1.55 3mv3A1 LYS 906 HD3 0.02 0.04 -0.03 -0.04 1.68 1.68 3mv3A1 LYS 906 HE2 0.02 0.03 -0.06 -0.04 2.99 2.93 3mv3A1 LYS 906 HE3 0.01 -0.06 -0.03 -0.04 2.99 2.87 3mv3A1 ASN 907 H 0.10 0.54 -0.18 -0.55 8.53 8.45 3mv3A1 ASN 907 HA 0.04 -0.06 0.55 -0.75 4.76 4.53 3mv3A1 ASN 907 HB2 0.12 0.45 0.38 -0.04 2.88 3.78 3mv3A1 ASN 907 HB3 0.05 -0.15 -0.04 -0.04 2.79 2.61 3mv3A1 ASN 907 HD21 0.05 -0.15 0.15 -0.04 7.03 7.04 3mv3A1 ASN 907 HD22 0.09 0.35 0.22 -0.04 7.74 8.36 3mv3A1 SER 908 H 0.08 0.65 -0.09 -0.55 8.46 8.54 3mv3A1 SER 908 HA 0.03 0.03 0.55 -0.75 4.49 4.35 3mv3A1 SER 908 HB2 0.01 0.11 -0.14 -0.04 3.95 3.89 3mv3A1 SER 908 HB3 0.01 -0.00 -0.04 -0.04 3.93 3.86 3mv3A1 LYS 909 H 0.03 0.13 0.03 -0.55 8.42 8.06 3mv3A1 LYS 909 HA 0.05 0.23 0.78 -0.75 4.32 4.62 3mv3A1 LYS 909 HB2 0.03 -0.01 0.08 -0.04 1.87 1.93 3mv3A1 LYS 909 HB3 0.03 -0.04 0.19 -0.04 1.79 1.93 3mv3A1 LYS 909 HG2 0.03 -0.06 0.02 -0.04 1.46 1.41 3mv3A1 LYS 909 HG3 0.05 -0.03 0.03 -0.04 1.46 1.46 3mv3A1 LYS 909 HD2 0.05 0.39 -0.14 -0.04 1.69 1.95 3mv3A1 LYS 909 HD3 0.03 -0.03 -0.10 -0.04 1.68 1.55 3mv3A1 LYS 909 HE2 0.04 0.04 -0.10 -0.04 2.99 2.93 3mv3A1 LYS 909 HE3 0.03 -0.07 -0.04 -0.04 2.99 2.87 3mv3A1 LEU 910 H 0.01 0.10 -0.43 -0.55 8.37 7.51 3mv3A1 LEU 910 HA 0.01 0.33 0.93 -0.75 4.35 4.87 3mv3A1 LEU 910 HB2 -0.01 0.14 -0.03 -0.04 1.64 1.70 3mv3A1 LEU 910 HB3 -0.00 -0.03 -0.12 -0.04 1.64 1.45 3mv3A1 LEU 910 HG -0.03 -0.17 -0.14 -0.04 1.64 1.26 3mv3A1 LEU 910 HD13 -0.04 -0.01 -0.20 -0.04 0.93 0.64 3mv3A1 LEU 910 HD23 -0.01 0.03 -0.22 -0.04 0.89 0.64 3mv3A1 PRO 911 HA -0.03 -0.01 0.34 -0.51 4.44 4.23 3mv3A1 PRO 911 HB2 -0.07 0.03 0.17 -0.04 2.28 2.38 3mv3A1 PRO 911 HB3 -0.06 0.02 0.06 -0.04 2.02 2.00 3mv3A1 PRO 911 HG2 -0.02 0.18 0.12 -0.04 2.03 2.27 3mv3A1 PRO 911 HG3 0.00 -0.03 0.09 -0.04 2.03 2.05 3mv3A1 PRO 911 HD2 -0.02 0.24 0.11 -0.04 3.68 3.97 3mv3A1 PRO 911 HD3 0.00 0.13 0.23 -0.04 3.65 3.97 3mv3A1 ALA 912 H -0.08 0.28 -0.14 -0.55 8.40 7.91 3mv3A1 ALA 912 HA -0.15 0.04 0.36 -0.75 4.34 3.84 3mv3A1 ALA 912 HB3 -0.11 0.05 -0.02 -0.04 1.41 1.29 3mv3A1 VAL 913 H -0.06 0.11 -0.22 -0.55 8.24 7.52 3mv3A1 VAL 913 HA -0.07 -0.01 0.19 -0.75 4.13 3.49 3mv3A1 VAL 913 HB 0.02 0.06 -0.09 -0.04 2.12 2.07 3mv3A1 VAL 913 HG13 0.08 0.01 -0.15 -0.04 0.97 0.87 3mv3A1 VAL 913 HG23 -0.10 -0.01 -0.06 -0.04 0.95 0.74 3mv3A1 LEU 914 H 0.03 0.60 -0.39 -0.55 8.37 8.06 3mv3A1 LEU 914 HA 0.14 -0.03 0.40 -0.75 4.35 4.11 3mv3A1 LEU 914 HB2 0.05 0.09 0.03 -0.04 1.64 1.77 3mv3A1 LEU 914 HB3 0.12 -0.04 -0.07 -0.04 1.64 1.61 3mv3A1 LEU 914 HG 0.05 0.09 -0.60 -0.04 1.64 1.13 3mv3A1 LEU 914 HD13 0.07 -0.06 -0.33 -0.04 0.93 0.57 3mv3A1 LEU 914 HD23 0.09 -0.02 -0.11 -0.04 0.89 0.81 3mv3A1 VAL 915 H -0.04 0.76 0.05 -0.55 8.24 8.46 3mv3A1 VAL 915 HA 0.20 -0.14 0.14 -0.75 4.13 3.59 3mv3A1 VAL 915 HB -0.20 0.16 0.13 -0.04 2.12 2.17 3mv3A1 VAL 915 HG13 -0.44 -0.04 -0.02 -0.04 0.97 0.43 3mv3A1 VAL 915 HG23 -0.73 0.07 -0.03 -0.04 0.95 0.22 3mv3A1 ALA 916 H 0.08 0.78 -0.13 -0.55 8.40 8.59 3mv3A1 ALA 916 HA 0.30 0.02 0.28 -0.75 4.34 4.19 3mv3A1 ALA 916 HB3 0.01 -0.00 -0.03 -0.04 1.41 1.35 3mv3A1 ALA 917 H 0.38 0.76 -0.11 -0.55 8.40 8.89 3mv3A1 ALA 917 HA 0.42 0.01 0.53 -0.75 4.34 4.54 3mv3A1 ALA 917 HB3 0.34 -0.03 0.20 -0.04 1.41 1.87 3mv3A1 GLY 918 H 0.45 0.52 -0.65 -0.55 8.43 8.20 3mv3A1 GLY 918 HA2 0.08 0.04 0.29 -0.51 4.01 3.90 3mv3A1 GLY 918 HA3 0.11 0.08 0.68 -0.51 4.01 4.37 3mv3A1 ALA 919 H 0.25 0.52 -0.20 -0.55 8.40 8.42 3mv3A1 ALA 919 HA 0.11 0.07 0.65 -0.75 4.34 4.41 3mv3A1 ALA 919 HB3 0.13 -0.00 0.05 -0.04 1.41 1.55 3mv3A1 PHE 920 H 0.22 0.38 0.03 -0.55 8.34 8.42 3mv3A1 PHE 920 HA 0.28 0.14 0.38 -0.75 4.62 4.67 3mv3A1 PHE 920 HB2 0.04 0.00 0.10 -0.04 3.15 3.25 3mv3A1 PHE 920 HB3 0.04 -0.00 -0.02 -0.04 3.06 3.04 3mv3A1 PHE 920 HD2 0.08 -0.10 -0.31 -0.04 7.28 6.91 3mv3A1 PHE 920 HE2 0.10 0.20 -0.01 -0.04 7.38 7.62 3mv3A1 PHE 920 HZ 0.05 0.05 -0.11 -0.04 7.32 7.27 3mv3A1 ASP 921 H 0.16 0.14 -0.04 -0.55 8.40 8.12 3mv3A1 ASP 921 HA 0.10 0.11 0.42 -0.75 4.63 4.51 3mv3A1 ASP 921 HB2 0.07 0.02 0.12 -0.04 2.71 2.88 3mv3A1 ASP 921 HB3 0.07 0.02 0.04 -0.04 2.70 2.78 3mv3A1 ALA 922 H 0.12 0.07 -0.26 -0.55 8.40 7.78 3mv3A1 ALA 922 HA 0.07 0.04 0.28 -0.75 4.34 3.98 3mv3A1 ALA 922 HB3 0.09 0.05 0.00 -0.04 1.41 1.52 3mv3A1 ALA 923 H 0.18 0.26 -0.59 -0.55 8.40 7.71 3mv3A1 ALA 923 HA 0.08 0.05 0.47 -0.75 4.34 4.19 3mv3A1 ALA 923 HB3 0.15 0.02 0.03 -0.04 1.41 1.58 3mv3A1 VAL 924 H 0.17 0.62 0.01 -0.55 8.24 8.49 3mv3A1 VAL 924 HA 0.13 0.01 0.33 -0.75 4.13 3.85 3mv3A1 VAL 924 HB 0.06 0.05 0.17 -0.04 2.12 2.37 3mv3A1 VAL 924 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.79 3mv3A1 VAL 924 HG23 -0.01 0.05 0.03 -0.04 0.95 0.98 3mv3A1 GLN 925 H 0.07 0.59 -0.20 -0.55 8.47 8.39 3mv3A1 GLN 925 HA 0.04 0.00 0.36 -0.75 4.36 4.01 3mv3A1 GLN 925 HB2 0.05 0.15 0.11 -0.04 2.15 2.42 3mv3A1 GLN 925 HB3 0.04 -0.04 0.00 -0.04 2.02 1.98 3mv3A1 GLN 925 HG2 0.04 -0.05 0.01 -0.04 2.40 2.35 3mv3A1 GLN 925 HG3 0.05 0.28 -0.04 -0.04 2.39 2.64 3mv3A1 GLN 925 HE21 0.03 -0.01 -0.07 -0.04 6.97 6.88 3mv3A1 GLN 925 HE22 0.05 -0.08 -0.25 -0.04 7.69 7.37 3mv3A1 ALA 926 H 0.06 0.49 -0.09 -0.55 8.40 8.31 3mv3A1 ALA 926 HA 0.03 -0.02 0.40 -0.75 4.34 4.00 3mv3A1 ALA 926 HB3 0.04 0.05 0.16 -0.04 1.41 1.61 3mv3A1 LEU 927 H 0.06 0.52 -0.32 -0.55 8.37 8.08 3mv3A1 LEU 927 HA 0.03 0.03 0.47 -0.75 4.35 4.14 3mv3A1 LEU 927 HB2 0.07 0.11 0.03 -0.04 1.64 1.80 3mv3A1 LEU 927 HB3 0.05 -0.08 0.05 -0.04 1.64 1.62 3mv3A1 LEU 927 HG 0.08 0.33 0.04 -0.04 1.64 2.05 3mv3A1 LEU 927 HD13 0.10 -0.02 -0.10 -0.04 0.93 0.87 3mv3A1 LEU 927 HD23 0.01 -0.03 -0.04 -0.04 0.89 0.79 3mv3A1 SER 928 H 0.04 0.59 -0.15 -0.55 8.46 8.39 3mv3A1 SER 928 HA 0.03 0.03 0.68 -0.75 4.49 4.48 3mv3A1 SER 928 HB2 0.03 0.06 0.20 -0.04 3.95 4.20 3mv3A1 SER 928 HB3 0.02 -0.04 0.07 -0.04 3.93 3.94 3mv3A1 LYS 929 H 0.03 0.44 0.05 -0.55 8.42 8.39 3mv3A1 LYS 929 HA 0.02 0.13 0.50 -0.75 4.32 4.22 3mv3A1 LYS 929 HB2 0.02 0.13 0.17 -0.04 1.87 2.15 3mv3A1 LYS 929 HB3 0.02 -0.04 0.08 -0.04 1.79 1.81 3mv3A1 LYS 929 HG2 0.02 -0.01 0.06 -0.04 1.46 1.48 3mv3A1 LYS 929 HG3 0.02 0.05 0.07 -0.04 1.46 1.57 3mv3A1 LYS 929 HD2 0.02 0.01 -0.03 -0.04 1.69 1.65 3mv3A1 LYS 929 HD3 0.02 -0.01 0.02 -0.04 1.68 1.66 3mv3A1 LYS 929 HE2 0.02 -0.01 0.00 -0.04 2.99 2.96 3mv3A1 LYS 929 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 3mv3A1 GLN 930 H 0.03 0.30 -0.21 -0.55 8.47 8.04 3mv3A1 GLN 930 HA 0.02 -0.10 1.06 -0.75 4.36 4.59 3mv3A1 GLN 930 HB2 0.02 -0.02 -0.00 -0.04 2.15 2.11 3mv3A1 GLN 930 HB3 0.02 0.48 0.05 -0.04 2.02 2.53 3mv3A1 GLN 930 HG2 0.02 -0.07 -0.13 -0.04 2.40 2.19 3mv3A1 GLN 930 HG3 0.02 0.37 0.18 -0.04 2.39 2.92 3mv3A1 GLN 930 HE21 0.01 -0.03 0.06 -0.04 6.97 6.97 3mv3A1 GLN 930 HE22 0.02 0.03 -0.09 -0.04 7.69 7.61 3mv3A1 VAL 931 H 0.03 0.11 -0.12 -0.55 8.24 7.72 3mv3A1 VAL 931 HA 0.03 0.15 0.49 -0.75 4.13 4.05 3mv3A1 VAL 931 HB 0.03 0.01 -0.09 -0.04 2.12 2.03 3mv3A1 VAL 931 HG13 0.03 -0.03 -0.12 -0.04 0.97 0.81 3mv3A1 VAL 931 HG23 0.02 0.06 -0.15 -0.04 0.95 0.84 3mv3A1 GLY 932 H 0.03 -0.01 -0.10 -0.55 8.43 7.80 3mv3A1 GLY 932 HA2 0.02 0.25 0.52 -0.51 4.01 4.30 3mv3A1 GLY 932 HA3 0.02 -0.01 0.32 -0.51 4.01 3.83 3mv3A1 VAL 933 H 0.03 0.43 -0.08 -0.55 8.24 8.07 3mv3A1 VAL 933 HA 0.04 0.05 0.37 -0.75 4.13 3.83 3mv3A1 VAL 933 HB 0.04 -0.05 -0.21 -0.04 2.12 1.86 3mv3A1 VAL 933 HG13 0.04 -0.01 -0.26 -0.04 0.97 0.70 3mv3A1 VAL 933 HG23 0.05 0.01 -0.16 -0.04 0.95 0.80 3mv3A1 VAL 934 H 0.02 0.60 0.33 -0.55 8.24 8.64 3mv3A1 VAL 934 HA 0.01 0.13 0.76 -0.75 4.13 4.27 3mv3A1 VAL 934 HB 0.01 0.02 -0.03 -0.04 2.12 2.08 3mv3A1 VAL 934 HG13 -0.00 -0.02 -0.11 -0.04 0.97 0.80 3mv3A1 VAL 934 HG23 0.01 0.02 -0.36 -0.04 0.95 0.59 3mv3A1 LYS 935 H 0.01 0.64 0.28 -0.55 8.42 8.79 3mv3A1 LYS 935 HA -0.01 0.07 0.77 -0.75 4.32 4.39 3mv3A1 LYS 935 HB2 0.01 0.06 0.12 -0.04 1.87 2.02 3mv3A1 LYS 935 HB3 0.00 0.03 0.23 -0.04 1.79 2.02 3mv3A1 LYS 935 HG2 -0.01 -0.14 0.04 -0.04 1.46 1.30 3mv3A1 LYS 935 HG3 -0.01 0.02 0.04 -0.04 1.46 1.47 3mv3A1 LYS 935 HD2 0.01 0.06 -0.00 -0.04 1.69 1.71 3mv3A1 LYS 935 HD3 0.01 0.01 0.02 -0.04 1.68 1.69 3mv3A1 LYS 935 HE2 0.00 -0.06 0.00 -0.04 2.99 2.90 3mv3A1 LYS 935 HE3 0.00 -0.00 -0.00 -0.04 2.99 2.94 3mv3A1 LEU 936 H -0.04 0.20 0.10 -0.55 8.37 8.08 3mv3A1 LEU 936 HA -0.07 0.19 0.48 -0.75 4.35 4.20 3mv3A1 LEU 936 HB2 -0.08 -0.01 0.02 -0.04 1.64 1.53 3mv3A1 LEU 936 HB3 -0.17 -0.02 -0.00 -0.04 1.64 1.41 3mv3A1 LEU 936 HG -0.04 0.10 -0.13 -0.04 1.64 1.53 3mv3A1 LEU 936 HD13 -0.08 -0.00 -0.05 -0.04 0.93 0.76 3mv3A1 LEU 936 HD23 -0.07 0.02 -0.18 -0.04 0.89 0.62 3mv3A1 GLU 937 H -0.05 0.08 -0.17 -0.55 8.60 7.91 3mv3A1 GLU 937 HA -0.07 0.05 0.40 -0.75 4.29 3.92 3mv3A1 GLU 937 HB2 -0.03 0.09 0.09 -0.04 2.09 2.20 3mv3A1 GLU 937 HB3 -0.03 0.01 0.02 -0.04 1.99 1.95 3mv3A1 GLU 937 HG2 -0.04 0.00 0.03 -0.04 2.34 2.30 3mv3A1 GLU 937 HG3 -0.03 -0.09 0.08 -0.04 2.34 2.26 3mv3A1 PRO 938 HA -0.06 0.07 0.53 -0.51 4.44 4.47 3mv3A1 PRO 938 HB2 -0.26 0.04 0.13 -0.04 2.28 2.14 3mv3A1 PRO 938 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 3mv3A1 PRO 938 HG2 -0.23 0.10 -0.15 -0.04 2.03 1.71 3mv3A1 PRO 938 HG3 -0.01 0.09 0.02 -0.04 2.03 2.09 3mv3A1 PRO 938 HD2 -0.06 0.16 -0.16 -0.04 3.68 3.58 3mv3A1 PRO 938 HD3 -0.03 0.08 0.06 -0.04 3.65 3.72 3mv3A1 LEU 939 H -0.10 0.31 -1.03 -0.55 8.37 7.01 3mv3A1 LEU 939 HA 0.03 0.17 0.82 -0.75 4.35 4.62 3mv3A1 LEU 939 HB2 -0.09 0.03 -0.11 -0.04 1.64 1.43 3mv3A1 LEU 939 HB3 -0.04 0.03 -0.01 -0.04 1.64 1.57 3mv3A1 LEU 939 HG 0.20 -0.07 0.04 -0.04 1.64 1.77 3mv3A1 LEU 939 HD13 -0.19 0.03 -0.10 -0.04 0.93 0.63 3mv3A1 LEU 939 HD23 0.19 0.01 -0.08 -0.04 0.89 0.96 3mv3A1 LYS 940 H -0.05 0.44 -0.00 -0.55 8.42 8.26 3mv3A1 LYS 940 HA -0.14 0.10 0.48 -0.75 4.32 4.00 3mv3A1 LYS 940 HB2 -0.08 0.07 0.16 -0.04 1.87 1.99 3mv3A1 LYS 940 HB3 -0.04 -0.01 0.20 -0.04 1.79 1.89 3mv3A1 LYS 940 HG2 -0.02 -0.02 -0.22 -0.04 1.46 1.16 3mv3A1 LYS 940 HG3 -0.03 -0.03 0.00 -0.04 1.46 1.36 3mv3A1 LYS 940 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 3mv3A1 LYS 940 HD3 -0.04 0.03 0.03 -0.04 1.68 1.66 3mv3A1 LYS 940 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 3mv3A1 LYS 940 HE3 0.00 -0.01 -0.04 -0.04 2.99 2.90 3mv3A1 LYS 941 H -0.08 0.20 -0.03 -0.55 8.42 7.96 3mv3A1 LYS 941 HA -0.06 0.05 0.30 -0.75 4.32 3.85 3mv3A1 LYS 941 HB2 -0.16 0.02 0.09 -0.04 1.87 1.78 3mv3A1 LYS 941 HB3 -0.16 0.01 0.09 -0.04 1.79 1.70 3mv3A1 LYS 941 HG2 -0.89 0.02 -0.12 -0.04 1.46 0.43 3mv3A1 LYS 941 HG3 -0.76 0.01 -0.43 -0.04 1.46 0.24 3mv3A1 LYS 941 HD2 -0.20 -0.01 -0.04 -0.04 1.69 1.40 3mv3A1 LYS 941 HD3 -0.17 -0.00 -0.02 -0.04 1.68 1.45 3mv3A1 LYS 941 HE2 -0.32 0.04 -0.05 -0.04 2.99 2.61 3mv3A1 LYS 941 HE3 -0.31 0.00 -0.07 -0.04 2.99 2.57 3mv3A1 TYR 942 H 0.05 0.14 -0.74 -0.55 8.29 7.18 3mv3A1 TYR 942 HA 0.04 0.08 0.48 -0.75 4.56 4.41 3mv3A1 TYR 942 HB2 0.08 0.13 -0.02 -0.04 3.06 3.21 3mv3A1 TYR 942 HB3 0.01 0.05 -0.05 -0.04 2.98 2.95 3mv3A1 TYR 942 HD2 -0.02 0.00 -0.06 -0.04 7.15 7.03 3mv3A1 TYR 942 HE2 0.01 0.07 -0.00 -0.04 6.85 6.89 3mv3A1 PHE 943 H 0.39 0.43 -0.07 -0.55 8.34 8.53 3mv3A1 PHE 943 HA -0.11 0.07 0.43 -0.75 4.62 4.26 3mv3A1 PHE 943 HB2 -0.23 0.12 0.21 -0.04 3.15 3.21 3mv3A1 PHE 943 HB3 -0.76 -0.03 -0.03 -0.04 3.06 2.20 3mv3A1 PHE 943 HD2 -1.08 0.08 0.04 -0.04 7.28 6.28 3mv3A1 PHE 943 HE2 -0.18 -0.02 -0.03 -0.04 7.38 7.11 3mv3A1 PHE 943 HZ -0.10 -0.00 -0.14 -0.04 7.32 7.03 3mv3A1 THR 944 H 0.16 0.43 -0.08 -0.55 8.28 8.25 3mv3A1 THR 944 HA 0.27 0.02 0.35 -0.75 4.39 4.27 3mv3A1 THR 944 HB 0.04 0.13 0.13 -0.04 4.32 4.58 3mv3A1 THR 944 HG23 0.10 -0.01 -0.07 -0.04 1.22 1.20 3mv3A1 ASN 945 H 0.03 0.64 -0.16 -0.55 8.53 8.50 3mv3A1 ASN 945 HA 0.06 -0.02 0.33 -0.75 4.76 4.37 3mv3A1 ASN 945 HB2 0.00 0.06 0.11 -0.04 2.88 3.01 3mv3A1 ASN 945 HB3 0.01 -0.03 -0.00 -0.04 2.79 2.73 3mv3A1 ASN 945 HD21 -0.13 -0.07 -0.05 -0.04 7.03 6.74 3mv3A1 ASN 945 HD22 -0.08 -0.01 -0.05 -0.04 7.74 7.56 3mv3A1 ILE 946 H 0.07 0.44 -0.34 -0.55 8.25 7.86 3mv3A1 ILE 946 HA -0.00 0.02 0.47 -0.75 4.18 3.91 3mv3A1 ILE 946 HB -0.04 0.04 0.21 -0.04 1.89 2.06 3mv3A1 ILE 946 HG12 -0.06 -0.07 0.05 -0.04 1.49 1.38 3mv3A1 ILE 946 HG13 -0.01 0.20 0.11 -0.04 1.21 1.48 3mv3A1 ILE 946 HG23 -0.04 -0.00 -0.11 -0.04 0.93 0.74 3mv3A1 ILE 946 HD13 -0.16 -0.02 0.03 -0.04 0.88 0.69 3mv3A1 TYR 947 H 0.27 0.71 -0.02 -0.55 8.29 8.70 3mv3A1 TYR 947 HA 0.21 0.06 0.33 -0.75 4.56 4.41 3mv3A1 TYR 947 HB2 0.39 0.02 0.08 -0.04 3.06 3.51 3mv3A1 TYR 947 HB3 0.24 -0.01 0.18 -0.04 2.98 3.35 3mv3A1 TYR 947 HD2 0.22 0.10 0.00 -0.04 7.15 7.44 3mv3A1 TYR 947 HE2 0.11 -0.02 -0.05 -0.04 6.85 6.84 3mv3A1 GLU 948 H 0.23 0.72 0.02 -0.55 8.60 9.02 3mv3A1 GLU 948 HA -0.04 0.01 0.55 -0.75 4.29 4.07 3mv3A1 GLU 948 HB2 0.11 0.03 0.05 -0.04 2.09 2.23 3mv3A1 GLU 948 HB3 0.11 -0.06 0.08 -0.04 1.99 2.08 3mv3A1 GLU 948 HG2 0.32 -0.06 0.03 -0.04 2.34 2.60 3mv3A1 GLU 948 HG3 0.26 0.25 0.10 -0.04 2.34 2.91 3mv3A1 GLY 949 H 0.06 0.49 -0.30 -0.55 8.43 8.12 3mv3A1 GLY 949 HA2 0.06 -0.06 0.37 -0.51 4.01 3.86 3mv3A1 GLY 949 HA3 0.06 0.09 0.39 -0.51 4.01 4.03 3mv3A1 CYS 950 H 0.01 0.28 -0.47 -0.55 8.50 7.77 3mv3A1 CYS 950 HA 0.12 0.15 1.00 -0.75 4.58 5.09 3mv3A1 CYS 950 HB2 0.19 -0.17 0.32 -0.04 2.97 3.27 3mv3A1 CYS 950 HB3 0.06 0.22 0.10 -0.04 2.97 3.30 3mv3A1 ARG 951 H -0.07 0.48 0.09 -0.55 8.46 8.40 3mv3A1 ARG 951 HA -0.28 0.28 1.18 -0.75 4.34 4.77 3mv3A1 ARG 951 HB2 -0.26 0.02 0.18 -0.04 1.90 1.80 3mv3A1 ARG 951 HB3 -0.52 -0.08 0.07 -0.04 1.80 1.23 3mv3A1 ARG 951 HG2 -0.42 -0.08 -0.02 -0.04 1.67 1.12 3mv3A1 ARG 951 HG3 -0.13 -0.04 -0.20 -0.04 1.67 1.26 3mv3A1 ARG 951 HD2 -0.57 0.04 0.03 -0.04 3.22 2.68 3mv3A1 ARG 951 HD3 -0.35 -0.12 -0.01 -0.04 3.22 2.70 3mv3A1 THR 952 H -0.40 0.53 0.36 -0.55 8.28 8.22 3mv3A1 THR 952 HA -0.24 0.19 0.90 -0.75 4.39 4.48 3mv3A1 THR 952 HB -0.09 0.05 -0.06 -0.04 4.32 4.19 3mv3A1 THR 952 HG23 -0.13 -0.01 -0.16 -0.04 1.22 0.88 3mv3A1 TYR 953 H 0.10 0.16 0.14 -0.55 8.29 8.14 3mv3A1 TYR 953 HA -0.05 0.43 1.31 -0.75 4.56 5.49 3mv3A1 TYR 953 HB2 -0.02 -0.05 0.03 -0.04 3.06 2.97 3mv3A1 TYR 953 HB3 -0.03 0.01 -0.08 -0.04 2.98 2.84 3mv3A1 TYR 953 HD2 -0.04 -0.00 -0.23 -0.04 7.15 6.84 3mv3A1 TYR 953 HE2 -0.03 0.02 -0.10 -0.04 6.85 6.70 3mv3A1 ILE 954 H 0.05 0.58 0.30 -0.55 8.25 8.63 3mv3A1 ILE 954 HA 0.03 0.12 0.69 -0.75 4.18 4.26 3mv3A1 ILE 954 HB -0.00 -0.01 0.02 -0.04 1.89 1.86 3mv3A1 ILE 954 HG12 0.01 -0.03 0.09 -0.04 1.49 1.52 3mv3A1 ILE 954 HG13 0.00 -0.05 0.02 -0.04 1.21 1.13 3mv3A1 ILE 954 HG23 0.01 0.04 -0.08 -0.04 0.93 0.86 3mv3A1 ILE 954 HD13 0.01 0.01 0.07 -0.04 0.88 0.92 3mv3A1 PRO 955 HA 0.02 0.12 0.80 -0.51 4.44 4.88 3mv3A1 PRO 955 HB2 0.01 0.03 -0.01 -0.04 2.28 2.26 3mv3A1 PRO 955 HB3 0.01 0.04 0.06 -0.04 2.02 2.10 3mv3A1 PRO 955 HG2 0.01 -0.01 0.10 -0.04 2.03 2.09 3mv3A1 PRO 955 HG3 0.01 0.03 0.07 -0.04 2.03 2.10 3mv3A1 PRO 955 HD2 0.01 0.06 0.25 -0.04 3.68 3.97 3mv3A1 PRO 955 HD3 0.02 0.19 0.15 -0.04 3.65 3.97 3mv3A1 SER 956 H 0.01 0.27 0.02 -0.55 8.46 8.21 3mv3A1 SER 956 HA 0.01 0.12 0.94 -0.75 4.49 4.80 3mv3A1 SER 956 HB2 0.01 -0.03 -0.09 -0.04 3.95 3.80 3mv3A1 SER 956 HB3 0.01 -0.03 -0.08 -0.04 3.93 3.79 3mv3A1 THR 957 H 0.01 0.19 0.04 -0.55 8.28 7.97 3mv3A1 THR 957 HA 0.00 -0.02 0.32 -0.75 4.39 3.94 3mv3A1 THR 957 HB 0.00 0.12 -0.01 -0.04 4.32 4.39 3mv3A1 THR 957 HG23 0.00 -0.02 -0.04 -0.04 1.22 1.12 3mv3A1 PRO 958 HA -0.00 -0.02 0.56 -0.51 4.44 4.47 3mv3A1 PRO 958 HB2 -0.00 -0.00 0.10 -0.04 2.28 2.33 3mv3A1 PRO 958 HB3 -0.00 -0.03 0.11 -0.04 2.02 2.06 3mv3A1 PRO 958 HG2 0.00 0.08 0.08 -0.04 2.03 2.16 3mv3A1 PRO 958 HG3 0.00 -0.01 0.06 -0.04 2.03 2.04 3mv3A1 PRO 958 HD2 0.00 0.14 -0.08 -0.04 3.68 3.70 3mv3A1 PRO 958 HD3 0.00 0.01 0.10 -0.04 3.65 3.72 3mv3A1 CYS 959 H -0.00 0.38 0.33 -0.55 8.50 8.66 3mv3A1 CYS 959 HA -0.00 0.02 0.16 -0.75 4.58 4.01 3mv3A1 CYS 959 HB2 -0.00 0.04 0.14 -0.04 2.97 3.11 3mv3A1 CYS 959 HB3 -0.00 -0.07 0.03 -0.04 2.97 2.89 3mv3A1 GLU 960 H -0.00 -0.00 -0.37 -0.55 8.60 7.68 3mv3A1 GLU 960 HA -0.01 0.07 0.47 -0.75 4.29 4.07 3mv3A1 GLU 960 HB2 -0.01 -0.00 0.22 -0.04 2.09 2.26 3mv3A1 GLU 960 HB3 -0.01 -0.03 0.08 -0.04 1.99 1.99 3mv3A1 GLU 960 HG2 -0.00 -0.03 0.02 -0.04 2.34 2.29 3mv3A1 GLU 960 HG3 -0.00 -0.08 -0.00 -0.04 2.34 2.21 3mv3A1 LEU 961 H -0.01 0.68 -0.68 -0.55 8.37 7.81 3mv3A1 LEU 961 HA -0.01 0.04 0.73 -0.75 4.35 4.36 3mv3A1 LEU 961 HB2 -0.00 -0.06 -0.07 -0.04 1.64 1.47 3mv3A1 LEU 961 HB3 -0.00 0.14 -0.04 -0.04 1.64 1.70 3mv3A1 LEU 961 HG -0.00 -0.06 0.07 -0.04 1.64 1.61 3mv3A1 LEU 961 HD13 0.00 -0.04 -0.03 -0.04 0.93 0.82 3mv3A1 LEU 961 HD23 0.00 0.00 -0.25 -0.04 0.89 0.60 3mv3A1 PRO 962 HA -0.03 -0.07 0.42 -0.51 4.44 4.26 3mv3A1 PRO 962 HB2 -0.01 0.10 0.04 -0.04 2.28 2.37 3mv3A1 PRO 962 HB3 -0.02 -0.04 0.13 -0.04 2.02 2.06 3mv3A1 PRO 962 HG2 0.00 0.07 0.07 -0.04 2.03 2.14 3mv3A1 PRO 962 HG3 -0.00 -0.01 0.08 -0.04 2.03 2.06 3mv3A1 PRO 962 HD2 -0.00 0.08 0.17 -0.04 3.68 3.89 3mv3A1 PRO 962 HD3 -0.01 0.09 0.20 -0.04 3.65 3.89 3mv3A1 ALA 963 H -0.04 0.00 0.18 -0.55 8.40 7.99 3mv3A1 ALA 963 HA 0.02 0.01 0.47 -0.75 4.34 4.09 3mv3A1 ALA 963 HB3 0.01 0.01 0.06 -0.04 1.41 1.46 3mv3A1 GLN 964 H 0.07 0.59 0.28 -0.55 8.47 8.87 3mv3A1 GLN 964 HA 0.06 0.14 1.01 -0.75 4.36 4.83 3mv3A1 GLN 964 HB2 0.02 -0.04 0.06 -0.04 2.15 2.15 3mv3A1 GLN 964 HB3 0.02 0.04 0.05 -0.04 2.02 2.09 3mv3A1 GLN 964 HG2 0.02 0.10 -0.17 -0.04 2.40 2.32 3mv3A1 GLN 964 HG3 0.03 -0.03 -0.20 -0.04 2.39 2.15 3mv3A1 GLN 964 HE21 0.01 -0.05 -0.02 -0.04 6.97 6.87 3mv3A1 GLN 964 HE22 0.01 0.06 -0.01 -0.04 7.69 7.71 3mv3A1 LEU 965 H 0.04 0.11 0.18 -0.55 8.37 8.14 3mv3A1 LEU 965 HA -0.25 0.16 0.55 -0.75 4.35 4.04 3mv3A1 LEU 965 HB2 0.01 -0.01 0.11 -0.04 1.64 1.71 3mv3A1 LEU 965 HB3 -0.09 -0.04 0.07 -0.04 1.64 1.55 3mv3A1 LEU 965 HG -0.73 0.02 -0.11 -0.04 1.64 0.78 3mv3A1 LEU 965 HD13 -0.36 0.02 -0.00 -0.04 0.93 0.55 3mv3A1 LEU 965 HD23 -0.12 -0.01 -0.02 -0.04 0.89 0.70 3mv3A1 GLY 966 H -0.46 0.40 0.38 -0.55 8.43 8.21 3mv3A1 GLY 966 HA2 -0.10 0.06 0.74 -0.51 4.01 4.20 3mv3A1 GLY 966 HA3 -0.13 0.03 0.32 -0.51 4.01 3.72 3mv3A1 TYR 967 H 0.13 0.12 0.18 -0.55 8.29 8.16 3mv3A1 TYR 967 HA 0.03 0.37 1.13 -0.75 4.56 5.34 3mv3A1 TYR 967 HB2 0.08 -0.07 0.07 -0.04 3.06 3.10 3mv3A1 TYR 967 HB3 0.32 0.06 -0.05 -0.04 2.98 3.27 3mv3A1 TYR 967 HD2 0.00 0.05 -0.03 -0.04 7.15 7.13 3mv3A1 TYR 967 HE2 -0.18 0.05 -0.03 -0.04 6.85 6.65 3mv3A1 VAL 968 H 0.21 0.94 0.38 -0.55 8.24 9.22 3mv3A1 VAL 968 HA 0.06 0.08 0.88 -0.75 4.13 4.39 3mv3A1 VAL 968 HB 0.08 -0.02 0.28 -0.04 2.12 2.43 3mv3A1 VAL 968 HG13 -0.13 0.01 -0.07 -0.04 0.97 0.74 3mv3A1 VAL 968 HG23 -0.02 0.09 -0.24 -0.04 0.95 0.74 3mv3A1 ARG 969 H 0.10 0.13 0.11 -0.55 8.46 8.26 3mv3A1 ARG 969 HA 0.09 0.17 0.50 -0.75 4.34 4.35 3mv3A1 ARG 969 HB2 0.10 0.05 0.07 -0.04 1.90 2.08 3mv3A1 ARG 969 HB3 0.14 0.00 0.10 -0.04 1.80 2.00 3mv3A1 ARG 969 HG2 0.25 -0.05 -0.20 -0.04 1.67 1.63 3mv3A1 ARG 969 HG3 0.14 0.00 0.03 -0.04 1.67 1.80 3mv3A1 ARG 969 HD2 0.25 0.01 -0.11 -0.04 3.22 3.33 3mv3A1 ARG 969 HD3 0.27 -0.03 -0.13 -0.04 3.22 3.29 3mv3A1 ALA 970 H -0.05 0.88 0.19 -0.55 8.40 8.88 3mv3A1 ALA 970 HA -0.06 0.06 0.51 -0.75 4.34 4.10 3mv3A1 ALA 970 HB3 -0.27 0.06 0.01 -0.04 1.41 1.17 3mv3A1 TYR 971 H 0.09 0.13 -0.40 -0.55 8.29 7.56 3mv3A1 TYR 971 HA 0.01 0.10 0.61 -0.75 4.56 4.53 3mv3A1 TYR 971 HB2 0.01 0.02 -0.12 -0.04 3.06 2.93 3mv3A1 TYR 971 HB3 0.01 0.02 -0.07 -0.04 2.98 2.90 3mv3A1 TYR 971 HD2 -0.01 -0.07 -0.05 -0.04 7.15 6.97 3mv3A1 TYR 971 HE2 -0.02 -0.05 -0.03 -0.04 6.85 6.70 3mv3A1 ASP 972 H 0.16 0.13 0.07 -0.55 8.40 8.21 3mv3A1 ASP 972 HA 0.06 0.13 0.60 -0.75 4.63 4.67 3mv3A1 ASP 972 HB2 0.04 -0.04 -0.01 -0.04 2.71 2.66 3mv3A1 ASP 972 HB3 0.03 0.05 0.03 -0.04 2.70 2.77 3mv3A1 ASP 973 H 0.04 0.13 0.12 -0.55 8.40 8.14 3mv3A1 ASP 973 HA 0.03 0.06 0.36 -0.75 4.63 4.33 3mv3A1 ASP 973 HB2 0.02 -0.07 0.03 -0.04 2.71 2.66 3mv3A1 ASP 973 HB3 0.02 0.03 -0.05 -0.04 2.70 2.65 3mv3A1 THR 974 H 0.02 0.01 -0.16 -0.55 8.28 7.61 3mv3A1 THR 974 HA 0.00 0.03 0.50 -0.75 4.39 4.16 3mv3A1 THR 974 HB 0.01 0.01 0.21 -0.04 4.32 4.51 3mv3A1 THR 974 HG23 -0.00 -0.01 -0.06 -0.04 1.22 1.10 3mv3A1 VAL 975 H -0.01 0.41 0.22 -0.55 8.24 8.32 3mv3A1 VAL 975 HA -0.06 0.01 0.56 -0.75 4.13 3.89 3mv3A1 VAL 975 HB -0.04 0.05 -0.34 -0.04 2.12 1.75 3mv3A1 VAL 975 HG13 -0.25 0.03 -0.06 -0.04 0.97 0.65 3mv3A1 VAL 975 HG23 -0.08 0.00 -0.32 -0.04 0.95 0.52 3mv3A1 SER 976 H -0.07 0.14 0.10 -0.55 8.46 8.08 3mv3A1 SER 976 HA -0.03 0.02 0.43 -0.75 4.49 4.16 3mv3A1 SER 976 HB2 -0.06 0.01 0.22 -0.04 3.95 4.08 3mv3A1 SER 976 HB3 -0.03 -0.00 0.14 -0.04 3.93 3.99 3mv3A1 GLU 977 H -0.01 0.07 0.22 -0.55 8.60 8.33 3mv3A1 GLU 977 HA 0.01 0.15 0.30 -0.75 4.29 4.00 3mv3A1 GLU 977 HB2 0.00 -0.07 0.08 -0.04 2.09 2.07 3mv3A1 GLU 977 HB3 0.01 0.01 0.18 -0.04 1.99 2.16 3mv3A1 GLU 977 HG2 0.01 0.09 0.10 -0.04 2.34 2.50 3mv3A1 GLU 977 HG3 0.00 -0.04 0.14 -0.04 2.34 2.39 3mv3A1 ASP 978 H -0.01 -0.24 -2.17 -0.55 8.40 5.43 3mv3A1 ASP 978 HA 0.02 0.13 0.66 -0.75 4.63 4.69 3mv3A1 ASP 978 HB2 -0.01 -0.16 0.10 -0.04 2.71 2.60 3mv3A1 ASP 978 HB3 0.01 0.09 0.04 -0.04 2.70 2.79 3mv3A1 GLN 979 H -0.02 -0.09 0.06 -0.55 8.47 7.88 3mv3A1 GLN 979 HA -0.01 0.09 0.27 -0.75 4.36 3.96 3mv3A1 GLN 979 HB2 -0.07 -0.05 0.17 -0.04 2.15 2.16 3mv3A1 GLN 979 HB3 -0.12 -0.05 0.16 -0.04 2.02 1.97 3mv3A1 GLN 979 HG2 -0.33 0.01 0.10 -0.04 2.40 2.13 3mv3A1 GLN 979 HG3 -0.11 0.07 0.02 -0.04 2.39 2.34 3mv3A1 GLN 979 HE21 -0.14 -0.05 0.05 -0.04 6.97 6.79 3mv3A1 GLN 979 HE22 -0.11 0.08 0.03 -0.04 7.69 7.65 3mv3A1 ILE 980 H 0.06 0.84 0.67 -0.55 8.25 9.27 3mv3A1 ILE 980 HA 0.11 0.02 0.65 -0.75 4.18 4.20 3mv3A1 ILE 980 HB 0.13 0.16 0.12 -0.04 1.89 2.25 3mv3A1 ILE 980 HG12 0.09 -0.04 -0.16 -0.04 1.49 1.34 3mv3A1 ILE 980 HG13 0.06 0.05 -0.43 -0.04 1.21 0.84 3mv3A1 ILE 980 HG23 0.28 -0.05 -0.28 -0.04 0.93 0.85 3mv3A1 ILE 980 HD13 0.07 -0.02 -0.05 -0.04 0.88 0.83 3mv3A1 LEU 981 H 0.10 0.15 0.11 -0.55 8.37 8.18 3mv3A1 LEU 981 HA -0.44 0.21 0.83 -0.75 4.35 4.19 3mv3A1 LEU 981 HB2 -0.02 -0.05 -0.11 -0.04 1.64 1.42 3mv3A1 LEU 981 HB3 -0.25 0.06 -0.02 -0.04 1.64 1.40 3mv3A1 LEU 981 HG 0.03 -0.11 -1.04 -0.04 1.64 0.48 3mv3A1 LEU 981 HD13 0.07 -0.00 -0.19 -0.04 0.93 0.77 3mv3A1 LEU 981 HD23 -0.04 0.02 -0.11 -0.04 0.89 0.72 3mv3A1 PRO 982 HA -0.61 0.10 0.41 -0.51 4.44 3.82 3mv3A1 PRO 982 HB2 -0.71 0.22 -0.02 -0.04 2.28 1.72 3mv3A1 PRO 982 HB3 -3.18 -0.00 0.04 -0.04 2.02 -1.16 3mv3A1 PRO 982 HG2 -0.55 0.02 -0.12 -0.04 2.03 1.34 3mv3A1 PRO 982 HG3 -0.73 0.02 -0.02 -0.04 2.03 1.26 3mv3A1 PRO 982 HD2 -0.66 0.09 0.17 -0.04 3.68 3.24 3mv3A1 PRO 982 HD3 -2.35 0.12 0.13 -0.04 3.65 1.51 3mv3A1 TYR 983 H -0.04 0.32 0.27 -0.55 8.29 8.29 3mv3A1 TYR 983 HA -0.19 0.03 0.62 -0.75 4.56 4.26 3mv3A1 TYR 983 HB2 -0.10 0.05 -0.23 -0.04 3.06 2.74 3mv3A1 TYR 983 HB3 -0.08 0.06 0.14 -0.04 2.98 3.06 3mv3A1 TYR 983 HD2 -0.10 0.13 -0.03 -0.04 7.15 7.11 3mv3A1 TYR 983 HE2 -0.06 -0.03 -0.06 -0.04 6.85 6.66 3mv3A1 VAL 984 H -0.79 0.18 0.09 -0.55 8.24 7.16 3mv3A1 VAL 984 HA -0.45 0.25 0.69 -0.75 4.13 3.87 3mv3A1 VAL 984 HB -0.27 -0.11 -0.03 -0.04 2.12 1.67 3mv3A1 VAL 984 HG13 -0.18 0.01 0.01 -0.04 0.97 0.78 3mv3A1 VAL 984 HG23 -0.26 0.07 -0.49 -0.04 0.95 0.22 3mv3A1 PRO 985 HA -0.17 0.01 0.39 -0.51 4.44 4.16 3mv3A1 PRO 985 HB2 -0.10 -0.03 0.08 -0.04 2.28 2.19 3mv3A1 PRO 985 HB3 -0.05 -0.02 0.05 -0.04 2.02 1.96 3mv3A1 PRO 985 HG2 -0.05 0.06 0.03 -0.04 2.03 2.03 3mv3A1 PRO 985 HG3 -0.06 0.03 0.07 -0.04 2.03 2.04 3mv3A1 PRO 985 HD2 -0.20 0.16 0.18 -0.04 3.68 3.78 3mv3A1 PRO 985 HD3 -0.26 0.22 0.11 -0.04 3.65 3.68 3mv3A1 GLY 986 H -0.13 0.12 -0.04 -0.55 8.43 7.83 3mv3A1 GLY 986 HA2 -0.09 0.05 0.40 -0.51 4.01 3.86 3mv3A1 GLY 986 HA3 -0.08 0.18 0.76 -0.51 4.01 4.36 3mv3A1 LEU 987 H -0.05 0.18 0.17 -0.55 8.37 8.13 3mv3A1 LEU 987 HA -0.04 0.07 0.37 -0.75 4.35 4.00 3mv3A1 LEU 987 HB2 -0.03 -0.02 0.10 -0.04 1.64 1.65 3mv3A1 LEU 987 HB3 -0.03 0.04 -0.04 -0.04 1.64 1.57 3mv3A1 LEU 987 HG -0.04 0.06 0.01 -0.04 1.64 1.63 3mv3A1 LEU 987 HD13 -0.04 -0.02 0.05 -0.04 0.93 0.88 3mv3A1 LEU 987 HD23 -0.03 0.01 -0.05 -0.04 0.89 0.78 3mv3A1 ASP 988 H -0.03 0.09 -0.28 -0.55 8.40 7.63 3mv3A1 ASP 988 HA -0.02 0.03 0.33 -0.75 4.63 4.22 3mv3A1 ASP 988 HB2 -0.01 -0.02 0.10 -0.04 2.71 2.74 3mv3A1 ASP 988 HB3 -0.01 0.09 0.01 -0.04 2.70 2.76 3mv3A1 VAL 989 H -0.02 0.35 -0.43 -0.55 8.24 7.59 3mv3A1 VAL 989 HA -0.02 0.05 0.47 -0.75 4.13 3.88 3mv3A1 VAL 989 HB -0.02 0.10 0.01 -0.04 2.12 2.17 3mv3A1 VAL 989 HG13 0.01 -0.00 -0.22 -0.04 0.97 0.71 3mv3A1 VAL 989 HG23 0.00 0.01 -0.05 -0.04 0.95 0.87 3mv3A1 VAL 990 H -0.03 0.24 -0.02 -0.55 8.24 7.88 3mv3A1 VAL 990 HA -0.02 0.01 0.28 -0.75 4.13 3.64 3mv3A1 VAL 990 HB -0.04 -0.03 0.06 -0.04 2.12 2.07 3mv3A1 VAL 990 HG13 -0.04 0.02 -0.07 -0.04 0.97 0.83 3mv3A1 VAL 990 HG23 -0.04 0.03 -0.10 -0.04 0.95 0.79 3mv3A1 ASN 991 H -0.04 0.73 -0.48 -0.55 8.53 8.19 3mv3A1 ASN 991 HA -0.08 -0.02 0.35 -0.75 4.76 4.25 3mv3A1 ASN 991 HB2 -0.04 0.12 0.01 -0.04 2.88 2.93 3mv3A1 ASN 991 HB3 -0.06 0.02 0.04 -0.04 2.79 2.75 3mv3A1 ASN 991 HD21 -0.04 -0.05 -0.03 -0.04 7.03 6.87 3mv3A1 ASN 991 HD22 -0.04 -0.01 -0.05 -0.04 7.74 7.60 3mv3A1 GLU 992 H -0.04 0.30 0.09 -0.55 8.60 8.40 3mv3A1 GLU 992 HA -0.06 -0.08 0.35 -0.75 4.29 3.75 3mv3A1 GLU 992 HB2 -0.02 0.06 0.24 -0.04 2.09 2.33 3mv3A1 GLU 992 HB3 -0.03 -0.08 -0.01 -0.04 1.99 1.83 3mv3A1 GLU 992 HG2 -0.03 -0.07 0.07 -0.04 2.34 2.28 3mv3A1 GLU 992 HG3 -0.02 0.30 0.15 -0.04 2.34 2.73 3mv3A1 LYS 993 H -0.04 0.60 -0.32 -0.55 8.42 8.10 3mv3A1 LYS 993 HA -0.04 -0.08 0.20 -0.75 4.32 3.65 3mv3A1 LYS 993 HB2 -0.01 0.10 -0.05 -0.04 1.87 1.86 3mv3A1 LYS 993 HB3 -0.02 -0.01 0.02 -0.04 1.79 1.74 3mv3A1 LYS 993 HG2 0.03 -0.01 -0.10 -0.04 1.46 1.35 3mv3A1 LYS 993 HG3 -0.01 -0.06 -0.00 -0.04 1.46 1.35 3mv3A1 LYS 993 HD2 -0.00 -0.03 -0.12 -0.04 1.69 1.49 3mv3A1 LYS 993 HD3 0.02 0.00 -0.14 -0.04 1.68 1.53 3mv3A1 LYS 993 HE2 0.03 -0.01 -0.07 -0.04 2.99 2.91 3mv3A1 LYS 993 HE3 0.05 0.00 -0.05 -0.04 2.99 2.95 3mv3A1 ASN 995 HA -0.51 -0.15 0.40 -0.75 4.76 3.75 3mv3A1 ASN 995 HB2 -0.12 0.37 0.09 -0.04 2.88 3.17 3mv3A1 ASN 995 HB3 -0.10 -0.11 -0.07 -0.04 2.79 2.47 3mv3A1 ASN 995 HD21 -0.08 -0.03 -0.01 -0.04 7.03 6.86 3mv3A1 ASN 995 HD22 -0.06 -0.02 -0.02 -0.04 7.74 7.60 3mv3A1 GLU 996 H -0.09 0.60 -0.51 -0.55 8.60 8.05 3mv3A1 GLU 996 HA -0.03 -0.05 0.45 -0.75 4.29 3.90 3mv3A1 GLU 996 HB2 -0.08 0.27 0.21 -0.04 2.09 2.45 3mv3A1 GLU 996 HB3 -0.08 -0.07 0.00 -0.04 1.99 1.80 3mv3A1 GLU 996 HG2 -0.03 -0.08 0.05 -0.04 2.34 2.24 3mv3A1 GLU 996 HG3 -0.04 0.08 0.01 -0.04 2.34 2.35 3mv3A1 GLY 997 H -0.15 0.48 0.02 -0.55 8.43 8.24 3mv3A1 GLY 997 HA2 -0.51 0.06 0.49 -0.51 4.01 3.54 3mv3A1 GLY 997 HA3 -0.82 0.07 0.27 -0.51 4.01 3.02 3mv3A1 TYR 998 H 0.34 0.22 -0.17 -0.55 8.29 8.12 3mv3A1 TYR 998 HA -0.03 0.00 0.41 -0.75 4.56 4.18 3mv3A1 TYR 998 HB2 0.01 0.23 0.19 -0.04 3.06 3.45 3mv3A1 TYR 998 HB3 0.06 -0.06 0.03 -0.04 2.98 2.97 3mv3A1 TYR 998 HD2 0.05 -0.12 -0.02 -0.04 7.15 7.02 3mv3A1 TYR 998 HE2 -0.17 -0.01 -0.03 -0.04 6.85 6.60 3mv3A1 LYS 999 H 0.11 0.76 -0.02 -0.55 8.42 8.72 3mv3A1 LYS 999 HA 0.11 -0.02 0.40 -0.75 4.32 4.07 3mv3A1 LYS 999 HB2 0.04 0.02 0.09 -0.04 1.87 1.97 3mv3A1 LYS 999 HB3 0.02 0.13 0.25 -0.04 1.79 2.15 3mv3A1 LYS 999 HG2 0.03 -0.00 -0.19 -0.04 1.46 1.25 3mv3A1 LYS 999 HG3 0.04 -0.04 -0.00 -0.04 1.46 1.42 3mv3A1 LYS 999 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 3mv3A1 LYS 999 HD3 -0.00 0.02 0.03 -0.04 1.68 1.69 3mv3A1 LYS 999 HE2 0.01 -0.00 -0.04 -0.04 2.99 2.91 3mv3A1 LYS 999 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 3mv3A1 ASN 1000 H 0.03 0.76 -0.10 -0.55 8.53 8.68 3mv3A1 ASN 1000 HA 0.03 -0.03 0.32 -0.75 4.76 4.33 3mv3A1 ASN 1000 HB2 -0.04 0.16 0.11 -0.04 2.88 3.06 3mv3A1 ASN 1000 HB3 -0.01 -0.02 0.01 -0.04 2.79 2.73 3mv3A1 ASN 1000 HD21 -0.03 -0.09 -0.03 -0.04 7.03 6.84 3mv3A1 ASN 1000 HD22 -0.06 0.39 0.00 -0.04 7.74 8.03 3mv3A1 PHE 1001 H 0.24 0.41 -0.35 -0.55 8.34 8.08 3mv3A1 PHE 1001 HA 0.09 -0.03 0.34 -0.75 4.62 4.27 3mv3A1 PHE 1001 HB2 0.08 0.08 0.11 -0.04 3.15 3.38 3mv3A1 PHE 1001 HB3 0.03 0.03 0.16 -0.04 3.06 3.24 3mv3A1 PHE 1001 HD2 0.29 -0.00 -0.11 -0.04 7.28 7.42 3mv3A1 PHE 1001 HE2 0.16 0.03 -0.00 -0.04 7.38 7.53 3mv3A1 PHE 1001 HZ 0.18 0.04 -0.06 -0.04 7.32 7.43 3mv3A1 LYS 1002 H 0.30 0.59 -0.01 -0.55 8.42 8.75 3mv3A1 LYS 1002 HA 0.20 -0.01 0.39 -0.75 4.32 4.15 3mv3A1 LYS 1002 HB2 0.14 0.16 0.16 -0.04 1.87 2.29 3mv3A1 LYS 1002 HB3 0.12 -0.08 0.04 -0.04 1.79 1.83 3mv3A1 LYS 1002 HG2 0.40 0.03 0.10 -0.04 1.46 1.95 3mv3A1 LYS 1002 HG3 0.22 -0.03 0.03 -0.04 1.46 1.63 3mv3A1 LYS 1002 HD2 0.11 -0.03 0.02 -0.04 1.69 1.75 3mv3A1 LYS 1002 HD3 0.19 -0.00 0.02 -0.04 1.68 1.85 3mv3A1 LYS 1002 HE2 0.16 -0.02 -0.03 -0.04 2.99 3.06 3mv3A1 LYS 1002 HE3 0.13 -0.01 -0.02 -0.04 2.99 3.05 3mv3A1 LEU 1003 H 0.07 0.41 -0.27 -0.55 8.37 8.04 3mv3A1 LEU 1003 HA 0.02 0.04 0.43 -0.75 4.35 4.09 3mv3A1 LEU 1003 HB2 0.02 0.00 0.04 -0.04 1.64 1.66 3mv3A1 LEU 1003 HB3 0.01 -0.06 0.11 -0.04 1.64 1.66 3mv3A1 LEU 1003 HG 0.05 0.18 0.01 -0.04 1.64 1.84 3mv3A1 LEU 1003 HD13 0.02 -0.04 -0.10 -0.04 0.93 0.77 3mv3A1 LEU 1003 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.83 3mv3A1 ASN 1004 H -0.05 0.49 -0.70 -0.55 8.53 7.72 3mv3A1 ASN 1004 HA -0.14 0.07 0.31 -0.75 4.76 4.24 3mv3A1 ASN 1004 HB2 -0.05 0.02 -0.04 -0.04 2.88 2.77 3mv3A1 ASN 1004 HB3 -0.03 0.12 -0.10 -0.04 2.79 2.74 3mv3A1 ASN 1004 HD21 -0.03 -0.05 0.09 -0.04 7.03 7.00 3mv3A1 ASN 1004 HD22 -0.02 0.01 0.08 -0.04 7.74 7.76 3mv3A1 LYS 1005 H -0.04 0.46 -0.30 -0.55 8.42 8.00 3mv3A1 LYS 1005 HA -0.03 0.19 0.85 -0.75 4.32 4.57 3mv3A1 LYS 1005 HB2 -0.01 0.00 0.11 -0.04 1.87 1.93 3mv3A1 LYS 1005 HB3 -0.01 -0.17 0.10 -0.04 1.79 1.67 3mv3A1 LYS 1005 HG2 -0.01 0.02 -0.02 -0.04 1.46 1.41 3mv3A1 LYS 1005 HG3 -0.01 0.27 -0.21 -0.04 1.46 1.46 3mv3A1 LYS 1005 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.61 3mv3A1 LYS 1005 HD3 -0.01 -0.08 0.00 -0.04 1.68 1.56 3mv3A1 LYS 1005 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 3mv3A1 LYS 1005 HE3 -0.00 0.09 -0.01 -0.04 2.99 3.03 3mv3A1 PRO 1006 HA -0.01 0.07 0.29 -0.51 4.44 4.27 3mv3A1 PRO 1006 HB2 -0.03 0.05 -0.03 -0.04 2.28 2.23 3mv3A1 PRO 1006 HB3 -0.08 0.10 0.03 -0.04 2.02 2.03 3mv3A1 PRO 1006 HG2 -0.03 -0.30 0.10 -0.04 2.03 1.76 3mv3A1 PRO 1006 HG3 -0.05 0.14 0.05 -0.04 2.03 2.13 3mv3A1 PRO 1006 HD2 -0.04 0.16 0.21 -0.04 3.68 3.97 3mv3A1 PRO 1006 HD3 -0.07 0.28 -0.18 -0.04 3.65 3.63 3mv3A1 ASP 1007 H -0.01 0.18 -0.09 -0.55 8.40 7.93 3mv3A1 ASP 1007 HA 0.02 0.08 0.33 -0.75 4.63 4.31 3mv3A1 ASP 1007 HB2 -0.00 -0.05 0.05 -0.04 2.71 2.67 3mv3A1 ASP 1007 HB3 0.01 0.03 -0.01 -0.04 2.70 2.68 3mv3A1 ILE 1008 H -0.01 0.13 -0.24 -0.55 8.25 7.58 3mv3A1 ILE 1008 HA -0.02 0.01 0.35 -0.75 4.18 3.78 3mv3A1 ILE 1008 HB -0.02 0.15 0.08 -0.04 1.89 2.06 3mv3A1 ILE 1008 HG12 -0.01 0.02 0.01 -0.04 1.49 1.47 3mv3A1 ILE 1008 HG13 -0.01 -0.02 -0.00 -0.04 1.21 1.14 3mv3A1 ILE 1008 HG23 -0.04 -0.00 -0.11 -0.04 0.93 0.75 3mv3A1 ILE 1008 HD13 -0.01 -0.04 0.00 -0.04 0.88 0.80 3mv3A1 ALA 1009 H -0.02 0.50 -0.17 -0.55 8.40 8.17 3mv3A1 ALA 1009 HA -0.23 -0.01 0.37 -0.75 4.34 3.72 3mv3A1 ALA 1009 HB3 0.12 0.04 -0.02 -0.04 1.41 1.50 3mv3A1 ILE 1010 H 0.05 0.61 -0.12 -0.55 8.25 8.25 3mv3A1 ILE 1010 HA 0.28 -0.03 0.38 -0.75 4.18 4.06 3mv3A1 ILE 1010 HB 0.06 0.17 0.18 -0.04 1.89 2.25 3mv3A1 ILE 1010 HG12 0.18 -0.03 0.05 -0.04 1.49 1.65 3mv3A1 ILE 1010 HG13 0.12 0.17 0.03 -0.04 1.21 1.49 3mv3A1 ILE 1010 HG23 0.09 -0.01 -0.10 -0.04 0.93 0.87 3mv3A1 ILE 1010 HD13 0.06 -0.02 -0.11 -0.04 0.88 0.77 3mv3A1 GLU 1011 H 0.00 0.50 -0.05 -0.55 8.60 8.51 3mv3A1 GLU 1011 HA 0.05 -0.03 0.34 -0.75 4.29 3.89 3mv3A1 GLU 1011 HB2 0.01 0.08 0.15 -0.04 2.09 2.29 3mv3A1 GLU 1011 HB3 -0.01 0.08 0.05 -0.04 1.99 2.06 3mv3A1 GLU 1011 HG2 0.03 -0.03 0.01 -0.04 2.34 2.31 3mv3A1 GLU 1011 HG3 0.05 -0.03 0.02 -0.04 2.34 2.34 3mv3A1 CYS 1012 H -0.17 0.49 -0.50 -0.55 8.50 7.77 3mv3A1 CYS 1012 HA -0.08 -0.02 0.43 -0.75 4.58 4.15 3mv3A1 CYS 1012 HB2 -0.66 0.30 0.27 -0.04 2.97 2.84 3mv3A1 CYS 1012 HB3 -0.33 -0.00 0.03 -0.04 2.97 2.62 3mv3A1 PHE 1013 H -0.54 0.47 0.14 -0.55 8.34 7.85 3mv3A1 PHE 1013 HA -0.06 -0.02 0.39 -0.75 4.62 4.18 3mv3A1 PHE 1013 HB2 -0.00 0.15 0.17 -0.04 3.15 3.43 3mv3A1 PHE 1013 HB3 -0.02 -0.07 0.04 -0.04 3.06 2.97 3mv3A1 PHE 1013 HD2 0.02 -0.02 -0.10 -0.04 7.28 7.14 3mv3A1 PHE 1013 HE2 0.13 -0.01 -0.14 -0.04 7.38 7.32 3mv3A1 PHE 1013 HZ -0.27 -0.03 -0.28 -0.04 7.32 6.70 3mv3A1 ARG 1014 H 0.04 0.62 -0.27 -0.55 8.46 8.30 3mv3A1 ARG 1014 HA -0.32 -0.03 0.45 -0.75 4.34 3.68 3mv3A1 ARG 1014 HB2 0.01 0.14 0.11 -0.04 1.90 2.12 3mv3A1 ARG 1014 HB3 -0.27 -0.07 0.04 -0.04 1.80 1.47 3mv3A1 ARG 1014 HG2 -0.06 -0.01 0.03 -0.04 1.67 1.59 3mv3A1 ARG 1014 HG3 0.04 0.20 -0.01 -0.04 1.67 1.87 3mv3A1 ARG 1014 HD2 0.08 -0.06 -0.11 -0.04 3.22 3.09 3mv3A1 ARG 1014 HD3 0.11 -0.07 0.02 -0.04 3.22 3.24 3mv3A1 GLU 1015 H -0.00 0.59 0.01 -0.55 8.60 8.65 3mv3A1 GLU 1015 HA 0.14 -0.05 0.37 -0.75 4.29 3.99 3mv3A1 GLU 1015 HB2 0.18 -0.02 0.17 -0.04 2.09 2.38 3mv3A1 GLU 1015 HB3 0.05 0.23 0.25 -0.04 1.99 2.47 3mv3A1 GLU 1015 HG2 0.09 -0.01 -0.20 -0.04 2.34 2.18 3mv3A1 GLU 1015 HG3 0.28 -0.08 0.04 -0.04 2.34 2.54 3mv3A1 ALA 1016 H -0.03 0.42 -0.41 -0.55 8.40 7.83 3mv3A1 ALA 1016 HA -0.03 -0.03 0.41 -0.75 4.34 3.94 3mv3A1 ALA 1016 HB3 0.02 0.05 0.08 -0.04 1.41 1.52 3mv3A1 ILE 1017 H -0.16 0.67 0.09 -0.55 8.25 8.30 3mv3A1 ILE 1017 HA -0.12 -0.01 0.38 -0.75 4.18 3.68 3mv3A1 ILE 1017 HB -0.45 0.09 0.22 -0.04 1.89 1.70 3mv3A1 ILE 1017 HG12 -0.09 -0.00 0.06 -0.04 1.49 1.42 3mv3A1 ILE 1017 HG13 -0.10 0.28 0.03 -0.04 1.21 1.39 3mv3A1 ILE 1017 HG23 -0.13 -0.02 -0.11 -0.04 0.93 0.63 3mv3A1 ILE 1017 HD13 -0.08 -0.04 -0.10 -0.04 0.88 0.63 3mv3A1 TYR 1018 H -0.55 0.83 -0.04 -0.55 8.29 7.98 3mv3A1 TYR 1018 HA -0.19 -0.02 0.33 -0.75 4.56 3.92 3mv3A1 TYR 1018 HB2 -0.80 0.08 0.10 -0.04 3.06 2.39 3mv3A1 TYR 1018 HB3 -0.85 -0.07 -0.01 -0.04 2.98 2.00 3mv3A1 TYR 1018 HD2 -0.16 -0.05 -0.11 -0.04 7.15 6.80 3mv3A1 TYR 1018 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.71 3mv3A1 ARG 1019 H -0.14 0.64 -0.20 -0.55 8.46 8.21 3mv3A1 ARG 1019 HA -0.04 -0.03 0.29 -0.75 4.34 3.81 3mv3A1 ARG 1019 HB2 -0.03 0.19 0.19 -0.04 1.90 2.21 3mv3A1 ARG 1019 HB3 -0.02 -0.13 -0.08 -0.04 1.80 1.53 3mv3A1 ARG 1019 HG2 0.08 -0.06 -0.02 -0.04 1.67 1.63 3mv3A1 ARG 1019 HG3 0.13 -0.01 0.01 -0.04 1.67 1.75 3mv3A1 ARG 1019 HD2 0.08 0.10 -0.14 -0.04 3.22 3.22 3mv3A1 ARG 1019 HD3 0.03 -0.10 -0.13 -0.04 3.22 2.98 3mv3A1 ILE 1020 H -0.08 0.60 -0.22 -0.55 8.25 7.99 3mv3A1 ILE 1020 HA -0.08 -0.09 0.38 -0.75 4.18 3.64 3mv3A1 ILE 1020 HB -0.09 0.14 0.19 -0.04 1.89 2.09 3mv3A1 ILE 1020 HG12 -0.07 0.37 0.05 -0.04 1.49 1.79 3mv3A1 ILE 1020 HG13 -0.08 -0.04 -0.03 -0.04 1.21 1.02 3mv3A1 ILE 1020 HG23 -0.14 -0.02 -0.14 -0.04 0.93 0.59 3mv3A1 ILE 1020 HD13 -0.07 -0.05 -0.01 -0.04 0.88 0.71 3mv3A1 THR 1021 H -0.06 0.60 -0.02 -0.55 8.28 8.24 3mv3A1 THR 1021 HA -0.05 -0.04 0.30 -0.75 4.39 3.85 3mv3A1 THR 1021 HB -0.01 0.32 0.16 -0.04 4.32 4.75 3mv3A1 THR 1021 HG23 0.01 -0.04 -0.20 -0.04 1.22 0.95 3mv3A1 LEU 1022 H -0.06 0.35 -0.51 -0.55 8.37 7.60 3mv3A1 LEU 1022 HA -0.09 0.07 0.78 -0.75 4.35 4.35 3mv3A1 LEU 1022 HB2 -0.07 0.05 0.01 -0.04 1.64 1.60 3mv3A1 LEU 1022 HB3 -0.15 -0.08 0.13 -0.04 1.64 1.50 3mv3A1 LEU 1022 HG -0.06 0.04 -0.17 -0.04 1.64 1.41 3mv3A1 LEU 1022 HD13 -0.23 -0.03 -0.14 -0.04 0.93 0.50 3mv3A1 LEU 1022 HD23 -0.16 0.03 -0.17 -0.04 0.89 0.56 3mv3A1 LEU 1023 H -0.07 0.76 -0.28 -0.55 8.37 8.22 3mv3A1 LEU 1023 HA -0.09 -0.00 0.43 -0.75 4.35 3.93 3mv3A1 LEU 1023 HB2 -0.08 0.26 0.31 -0.04 1.64 2.10 3mv3A1 LEU 1023 HB3 -0.08 -0.03 0.09 -0.04 1.64 1.59 3mv3A1 LEU 1023 HG -0.07 -0.07 -0.06 -0.04 1.64 1.40 3mv3A1 LEU 1023 HD13 -0.07 -0.05 -0.03 -0.04 0.93 0.75 3mv3A1 LEU 1023 HD23 -0.07 -0.04 0.07 -0.04 0.89 0.81 3mv3A1 VAL 1025 HA -0.04 -0.10 0.29 -0.75 4.13 3.53 3mv3A1 VAL 1025 HB -0.01 -0.02 -0.21 -0.04 2.12 1.84 3mv3A1 VAL 1025 HG13 -0.01 -0.08 -0.06 -0.04 0.97 0.79 3mv3A1 VAL 1025 HG23 -0.04 0.02 -0.19 -0.04 0.95 0.70 3mv3A1 ASP 1026 H 0.00 0.02 0.13 -0.55 8.40 8.00 3mv3A1 ASP 1026 HA 0.06 0.20 0.57 -0.75 4.63 4.71 3mv3A1 ASP 1026 HB2 0.04 -0.16 0.20 -0.04 2.71 2.75 3mv3A1 ASP 1026 HB3 0.10 0.03 0.06 -0.04 2.70 2.86 3mv3A1 ASP 1027 H 0.02 0.03 0.12 -0.55 8.40 8.02 3mv3A1 ASP 1027 HA 0.01 0.21 0.69 -0.75 4.63 4.79 3mv3A1 ASP 1027 HB2 0.01 -0.02 0.19 -0.04 2.71 2.85 3mv3A1 ASP 1027 HB3 0.01 -0.17 -0.01 -0.04 2.70 2.49 3mv3A1 ALA 1028 H 0.01 0.25 0.20 -0.55 8.40 8.32 3mv3A1 ALA 1028 HA 0.01 0.12 0.34 -0.75 4.34 4.06 3mv3A1 ALA 1028 HB3 0.01 0.03 0.11 -0.04 1.41 1.52 3mv3A1 GLU 1029 H 0.01 0.04 -0.34 -0.55 8.60 7.77 3mv3A1 GLU 1029 HA 0.01 0.10 0.36 -0.75 4.29 4.00 3mv3A1 GLU 1029 HB2 0.01 -0.07 0.01 -0.04 2.09 2.00 3mv3A1 GLU 1029 HB3 0.01 0.05 -0.05 -0.04 1.99 1.95 3mv3A1 GLU 1029 HG2 0.01 -0.07 0.06 -0.04 2.34 2.30 3mv3A1 GLU 1029 HG3 0.01 0.03 0.03 -0.04 2.34 2.37 3mv3A1 ASP 1030 H 0.01 0.32 -0.11 -0.55 8.40 8.07 3mv3A1 ASP 1030 HA 0.00 0.04 0.55 -0.75 4.63 4.47 3mv3A1 ASP 1030 HB2 -0.00 0.10 0.06 -0.04 2.71 2.82 3mv3A1 ASP 1030 HB3 -0.01 -0.01 0.08 -0.04 2.70 2.72 3mv3A1 GLU 1031 H 0.02 0.39 -0.25 -0.55 8.60 8.21 3mv3A1 GLU 1031 HA 0.02 0.06 0.34 -0.75 4.29 3.96 3mv3A1 GLU 1031 HB2 0.03 -0.02 0.02 -0.04 2.09 2.08 3mv3A1 GLU 1031 HB3 0.03 0.31 0.19 -0.04 1.99 2.48 3mv3A1 GLU 1031 HG2 0.09 0.01 -0.26 -0.04 2.34 2.15 3mv3A1 GLU 1031 HG3 0.17 0.01 -0.06 -0.04 2.34 2.41 3mv3A1 LYS 1032 H 0.04 0.27 -0.41 -0.55 8.42 7.76 3mv3A1 LYS 1032 HA 0.07 0.07 0.39 -0.75 4.32 4.09 3mv3A1 LYS 1032 HB2 0.02 -0.01 0.15 -0.04 1.87 1.99 3mv3A1 LYS 1032 HB3 0.02 0.22 0.24 -0.04 1.79 2.22 3mv3A1 LYS 1032 HG2 0.01 -0.02 -0.04 -0.04 1.46 1.36 3mv3A1 LYS 1032 HG3 0.00 -0.00 0.05 -0.04 1.46 1.47 3mv3A1 LYS 1032 HD2 -0.01 0.00 0.01 -0.04 1.69 1.66 3mv3A1 LYS 1032 HD3 0.00 -0.02 0.04 -0.04 1.68 1.65 3mv3A1 LYS 1032 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 3mv3A1 LYS 1032 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.96 3mv3A1 LEU 1033 H 0.02 0.24 -0.04 -0.55 8.37 8.05 3mv3A1 LEU 1033 HA 0.02 0.02 0.40 -0.75 4.35 4.03 3mv3A1 LEU 1033 HB2 0.00 0.00 0.16 -0.04 1.64 1.76 3mv3A1 LEU 1033 HB3 -0.00 0.08 0.11 -0.04 1.64 1.79 3mv3A1 LEU 1033 HG 0.00 0.00 0.04 -0.04 1.64 1.64 3mv3A1 LEU 1033 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.87 3mv3A1 LEU 1033 HD23 -0.01 -0.02 -0.12 -0.04 0.89 0.69 3mv3A1 ALA 1034 H 0.00 0.68 -0.16 -0.55 8.40 8.37 3mv3A1 ALA 1034 HA -0.05 -0.04 0.35 -0.75 4.34 3.85 3mv3A1 ALA 1034 HB3 -0.09 0.06 0.06 -0.04 1.41 1.40 3mv3A1 HIS 1035 H 0.09 0.41 -0.39 -0.55 8.41 7.96 3mv3A1 HIS 1035 HA -0.02 0.05 0.47 -0.75 4.63 4.38 3mv3A1 HIS 1035 HB2 -0.01 0.21 0.24 -0.04 3.26 3.66 3mv3A1 HIS 1035 HB3 -0.01 -0.05 0.00 -0.04 3.20 3.09 3mv3A1 HIS 1035 HD2 -0.01 0.01 0.03 -0.04 6.97 6.96 3mv3A1 HIS 1035 HE1 -0.01 0.02 0.01 -0.04 7.75 7.73 3mv3A1 LYS 1036 H 0.07 0.42 0.05 -0.55 8.42 8.41 3mv3A1 LYS 1036 HA 0.03 0.00 0.41 -0.75 4.32 4.01 3mv3A1 LYS 1036 HB2 0.02 0.05 0.18 -0.04 1.87 2.08 3mv3A1 LYS 1036 HB3 0.01 -0.04 0.02 -0.04 1.79 1.75 3mv3A1 LYS 1036 HG2 0.02 -0.01 0.05 -0.04 1.46 1.49 3mv3A1 LYS 1036 HG3 0.03 0.08 0.01 -0.04 1.46 1.54 3mv3A1 LYS 1036 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.62 3mv3A1 LYS 1036 HD3 0.01 0.00 0.01 -0.04 1.68 1.66 3mv3A1 LYS 1036 HE2 0.00 0.02 -0.00 -0.04 2.99 2.97 3mv3A1 LYS 1036 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.90 3mv3A1 ILE 1037 H -0.00 0.69 -0.23 -0.55 8.25 8.17 3mv3A1 ILE 1037 HA -0.01 -0.03 0.36 -0.75 4.18 3.74 3mv3A1 ILE 1037 HB -0.04 0.16 0.12 -0.04 1.89 2.08 3mv3A1 ILE 1037 HG12 -0.02 -0.05 -0.03 -0.04 1.49 1.34 3mv3A1 ILE 1037 HG13 -0.02 0.22 -0.01 -0.04 1.21 1.35 3mv3A1 ILE 1037 HG23 -0.04 -0.02 -0.17 -0.04 0.93 0.66 3mv3A1 ILE 1037 HD13 -0.04 -0.02 -0.11 -0.04 0.88 0.67 3mv3A1 LEU 1038 H -0.04 0.64 -0.05 -0.55 8.37 8.37 3mv3A1 LEU 1038 HA -0.05 -0.08 0.34 -0.75 4.35 3.80 3mv3A1 LEU 1038 HB2 -0.11 0.04 0.15 -0.04 1.64 1.68 3mv3A1 LEU 1038 HB3 -0.04 0.10 0.24 -0.04 1.64 1.91 3mv3A1 LEU 1038 HG -0.01 0.09 -0.08 -0.04 1.64 1.60 3mv3A1 LEU 1038 HD13 -0.05 -0.05 0.05 -0.04 0.93 0.84 3mv3A1 LEU 1038 HD23 -0.12 -0.01 -0.03 -0.04 0.89 0.69 3mv3A1 GLU 1039 H 0.02 0.81 -0.12 -0.55 8.60 8.77 3mv3A1 GLU 1039 HA 0.00 0.04 0.38 -0.75 4.29 3.95 3mv3A1 GLU 1039 HB2 0.01 -0.02 0.25 -0.04 2.09 2.28 3mv3A1 GLU 1039 HB3 0.00 -0.05 0.07 -0.04 1.99 1.97 3mv3A1 GLU 1039 HG2 0.06 0.37 0.02 -0.04 2.34 2.74 3mv3A1 GLU 1039 HG3 0.03 -0.11 -0.01 -0.04 2.34 2.21 3mv3A1 THR 1040 H -0.00 0.43 0.05 -0.55 8.28 8.21 3mv3A1 THR 1040 HA 0.01 0.01 0.32 -0.75 4.39 3.97 3mv3A1 THR 1040 HB -0.03 0.13 0.15 -0.04 4.32 4.53 3mv3A1 THR 1040 HG23 0.03 -0.03 -0.08 -0.04 1.22 1.11 3mv3A1 ALA 1041 H -0.06 0.67 -0.26 -0.55 8.40 8.20 3mv3A1 ALA 1041 HA -0.35 -0.08 0.39 -0.75 4.34 3.55 3mv3A1 ALA 1041 HB3 -0.05 0.05 0.11 -0.04 1.41 1.48 3mv3A1 ARG 1042 H -0.05 0.61 0.13 -0.55 8.46 8.60 3mv3A1 ARG 1042 HA -0.02 -0.08 0.37 -0.75 4.34 3.85 3mv3A1 ARG 1042 HB2 -0.01 -0.18 0.07 -0.04 1.90 1.74 3mv3A1 ARG 1042 HB3 -0.02 0.08 0.19 -0.04 1.80 2.01 3mv3A1 ARG 1042 HG2 -0.02 0.31 0.16 -0.04 1.67 2.08 3mv3A1 ARG 1042 HG3 -0.04 0.00 -0.22 -0.04 1.67 1.37 3mv3A1 ARG 1042 HD2 -0.04 -0.18 -0.19 -0.04 3.22 2.77 3mv3A1 ARG 1042 HD3 -0.02 0.13 -0.28 -0.04 3.22 3.02 3mv3A1 GLU 1043 H -0.04 0.51 -0.38 -0.55 8.60 8.13 3mv3A1 GLU 1043 HA -0.08 -0.06 0.39 -0.75 4.29 3.79 3mv3A1 GLU 1043 HB2 -0.04 0.24 0.06 -0.04 2.09 2.30 3mv3A1 GLU 1043 HB3 -0.13 -0.07 -0.12 -0.04 1.99 1.63 3mv3A1 GLU 1043 HG2 -0.04 0.04 -0.10 -0.04 2.34 2.20 3mv3A1 GLU 1043 HG3 -0.05 0.04 -0.04 -0.04 2.34 2.25 3mv3A1 TYR 1044 H -0.05 0.77 -0.14 -0.55 8.29 8.32 3mv3A1 TYR 1044 HA -0.17 0.08 0.74 -0.75 4.56 4.45 3mv3A1 TYR 1044 HB2 -0.94 0.17 0.16 -0.04 3.06 2.40 3mv3A1 TYR 1044 HB3 -0.73 -0.08 -0.09 -0.04 2.98 2.04 3mv3A1 TYR 1044 HD2 -0.33 0.15 -0.09 -0.04 7.15 6.84 3mv3A1 TYR 1044 HE2 -0.94 -0.03 -0.01 -0.04 6.85 5.83 3mv3A1 ILE 1045 H -0.04 0.61 0.12 -0.55 8.25 8.40 3mv3A1 ILE 1045 HA 0.17 -0.00 0.43 -0.75 4.18 4.03 3mv3A1 ILE 1045 HB 0.03 0.02 0.13 -0.04 1.89 2.03 3mv3A1 ILE 1045 HG12 0.19 -0.04 0.01 -0.04 1.49 1.62 3mv3A1 ILE 1045 HG13 0.02 0.20 -0.08 -0.04 1.21 1.30 3mv3A1 ILE 1045 HG23 0.09 0.04 0.06 -0.04 0.93 1.07 3mv3A1 ILE 1045 HD13 0.02 0.02 -0.19 -0.04 0.88 0.69 3mv3A1 LEU 1046 H -0.02 0.93 -0.10 -0.55 8.37 8.64 3mv3A1 LEU 1046 HA -0.02 0.01 0.25 -0.75 4.35 3.84 3mv3A1 LEU 1046 HB2 -0.05 0.18 0.10 -0.04 1.64 1.84 3mv3A1 LEU 1046 HB3 -0.07 -0.00 0.07 -0.04 1.64 1.59 3mv3A1 LEU 1046 HG -0.05 -0.07 -0.04 -0.04 1.64 1.44 3mv3A1 LEU 1046 HD13 -0.10 0.02 -0.06 -0.04 0.93 0.75 3mv3A1 LEU 1046 HD23 -0.18 -0.00 -0.25 -0.04 0.89 0.41 3mv3A1 GLY 1047 H -0.06 0.48 -0.19 -0.55 8.43 8.12 3mv3A1 GLY 1047 HA2 0.09 -0.01 0.35 -0.51 4.01 3.92 3mv3A1 GLY 1047 HA3 0.12 0.12 0.33 -0.51 4.01 4.07 3mv3A1 LEU 1048 H 0.07 0.63 -0.32 -0.55 8.37 8.19 3mv3A1 LEU 1048 HA -0.15 -0.04 0.43 -0.75 4.35 3.84 3mv3A1 LEU 1048 HB2 0.13 0.15 0.15 -0.04 1.64 2.04 3mv3A1 LEU 1048 HB3 0.06 -0.12 -0.01 -0.04 1.64 1.54 3mv3A1 LEU 1048 HG 0.38 0.06 0.04 -0.04 1.64 2.08 3mv3A1 LEU 1048 HD13 0.52 -0.01 -0.11 -0.04 0.93 1.29 3mv3A1 LEU 1048 HD23 0.15 -0.03 -0.03 -0.04 0.89 0.94 3mv3A1 SER 1049 H -0.01 0.92 0.03 -0.55 8.46 8.85 3mv3A1 SER 1049 HA 0.02 -0.09 0.32 -0.75 4.49 3.99 3mv3A1 SER 1049 HB2 -0.03 0.10 0.14 -0.04 3.95 4.11 3mv3A1 SER 1049 HB3 0.18 -0.07 -0.00 -0.04 3.93 3.99 3mv3A1 ILE 1050 H -0.28 0.52 -0.52 -0.55 8.25 7.43 3mv3A1 ILE 1050 HA -0.45 0.05 0.46 -0.75 4.18 3.49 3mv3A1 ILE 1050 HB -0.32 0.17 0.13 -0.04 1.89 1.84 3mv3A1 ILE 1050 HG12 -1.54 -0.02 -0.13 -0.04 1.49 -0.25 3mv3A1 ILE 1050 HG13 -0.60 0.17 -0.14 -0.04 1.21 0.60 3mv3A1 ILE 1050 HG23 -0.17 -0.03 -0.16 -0.04 0.93 0.54 3mv3A1 ILE 1050 HD13 -0.23 -0.02 -0.20 -0.04 0.88 0.39 3mv3A1 GLU 1051 H -0.61 0.53 0.14 -0.55 8.60 8.11 3mv3A1 GLU 1051 HA -0.33 -0.02 0.31 -0.75 4.29 3.49 3mv3A1 GLU 1051 HB2 -1.29 0.01 0.10 -0.04 2.09 0.87 3mv3A1 GLU 1051 HB3 -0.68 0.07 0.17 -0.04 1.99 1.51 3mv3A1 GLU 1051 HG2 -0.28 -0.02 -0.06 -0.04 2.34 1.94 3mv3A1 GLU 1051 HG3 -0.21 -0.01 -0.42 -0.04 2.34 1.66 3mv3A1 LEU 1052 H -0.18 0.86 -0.28 -0.55 8.37 8.22 3mv3A1 LEU 1052 HA -0.07 -0.04 0.36 -0.75 4.35 3.83 3mv3A1 LEU 1052 HB2 -0.05 0.29 -0.02 -0.04 1.64 1.81 3mv3A1 LEU 1052 HB3 -0.00 0.05 -0.08 -0.04 1.64 1.57 3mv3A1 LEU 1052 HG -0.03 -0.08 -0.07 -0.04 1.64 1.41 3mv3A1 LEU 1052 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.81 3mv3A1 LEU 1052 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.82 3mv3A1 GLU 1053 H -0.01 0.54 -0.15 -0.55 8.60 8.44 3mv3A1 GLU 1053 HA 0.03 -0.01 0.57 -0.75 4.29 4.13 3mv3A1 GLU 1053 HB2 0.15 -0.01 0.12 -0.04 2.09 2.31 3mv3A1 GLU 1053 HB3 0.21 0.13 0.15 -0.04 1.99 2.43 3mv3A1 GLU 1053 HG2 0.11 -0.01 -0.19 -0.04 2.34 2.21 3mv3A1 GLU 1053 HG3 0.05 -0.05 0.09 -0.04 2.34 2.39 3mv3A1 ARG 1054 H -0.06 0.57 -0.21 -0.55 8.46 8.21 3mv3A1 ARG 1054 HA -0.01 0.00 0.37 -0.75 4.34 3.95 3mv3A1 ARG 1054 HB2 -0.08 0.00 -0.11 -0.04 1.90 1.67 3mv3A1 ARG 1054 HB3 -0.09 0.12 0.01 -0.04 1.80 1.80 3mv3A1 ARG 1054 HG2 -0.04 0.00 -0.06 -0.04 1.67 1.53 3mv3A1 ARG 1054 HG3 -0.06 -0.16 -0.16 -0.04 1.67 1.25 3mv3A1 ARG 1054 HD2 -0.03 0.03 -0.18 -0.04 3.22 3.00 3mv3A1 ARG 1054 HD3 -0.03 -0.00 -0.11 -0.04 3.22 3.04 3mv3A1 ARG 1055 H -0.05 0.37 -0.44 -0.55 8.46 7.79 3mv3A1 ARG 1055 HA -0.02 0.03 0.48 -0.75 4.34 4.08 3mv3A1 ARG 1055 HB2 -0.03 0.27 0.17 -0.04 1.90 2.26 3mv3A1 ARG 1055 HB3 -0.03 -0.11 0.05 -0.04 1.80 1.67 3mv3A1 ARG 1055 HG2 -0.04 -0.07 0.00 -0.04 1.67 1.52 3mv3A1 ARG 1055 HG3 -0.08 0.39 0.06 -0.04 1.67 2.00 3mv3A1 ARG 1055 HD2 -0.06 -0.04 -0.02 -0.04 3.22 3.05 3mv3A1 ARG 1055 HD3 -0.04 -0.06 0.01 -0.04 3.22 3.10 3mv3A1 SER 1056 H -0.01 0.22 -0.28 -0.55 8.46 7.85 3mv3A1 SER 1056 HA -0.00 0.04 0.52 -0.75 4.49 4.30 3mv3A1 SER 1056 HB2 0.00 -0.09 0.19 -0.04 3.95 4.01 3mv3A1 SER 1056 HB3 0.00 -0.00 0.12 -0.04 3.93 4.01 3mv3A1 LEU 1057 H -0.01 0.40 -0.84 -0.55 8.37 7.38 3mv3A1 LEU 1057 HA 0.00 0.11 0.98 -0.75 4.35 4.68 3mv3A1 LEU 1057 HB2 -0.01 0.22 -0.03 -0.04 1.64 1.78 3mv3A1 LEU 1057 HB3 -0.01 -0.09 -0.12 -0.04 1.64 1.38 3mv3A1 LEU 1057 HG 0.01 0.27 -0.17 -0.04 1.64 1.71 3mv3A1 LEU 1057 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.82 3mv3A1 LEU 1057 HD23 0.01 -0.01 0.03 -0.04 0.89 0.87 3mv3A1 LYS 1058 H -0.00 0.13 0.14 -0.55 8.42 8.13 3mv3A1 LYS 1058 HA 0.00 0.12 0.71 -0.75 4.32 4.39 3mv3A1 LYS 1058 HB2 0.00 -0.00 0.13 -0.04 1.87 1.96 3mv3A1 LYS 1058 HB3 0.00 -0.01 0.09 -0.04 1.79 1.84 3mv3A1 LYS 1058 HG2 0.00 0.01 -0.01 -0.04 1.46 1.41 3mv3A1 LYS 1058 HG3 0.00 0.03 -0.04 -0.04 1.46 1.41 3mv3A1 LYS 1058 HD2 0.00 0.00 0.04 -0.04 1.69 1.69 3mv3A1 LYS 1058 HD3 0.00 -0.02 0.02 -0.04 1.68 1.64 3mv3A1 LYS 1058 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.93 3mv3A1 LYS 1058 HE3 0.00 0.06 -0.01 -0.04 2.99 3.00 3mv3A1 GLU 1059 H 0.01 0.11 0.18 -0.55 8.60 8.35 3mv3A1 GLU 1059 HA 0.01 0.04 0.39 -0.75 4.29 3.97 3mv3A1 GLU 1059 HB2 0.01 0.01 0.05 -0.04 2.09 2.13 3mv3A1 GLU 1059 HB3 0.01 0.06 0.16 -0.04 1.99 2.18 3mv3A1 GLU 1059 HG2 0.01 -0.11 0.15 -0.04 2.34 2.34 3mv3A1 GLU 1059 HG3 0.01 0.02 -0.01 -0.04 2.34 2.31 3mv3A1 GLY 1060 H 0.01 0.14 0.17 -0.55 8.43 8.21 3mv3A1 GLY 1060 HA2 0.01 0.02 0.45 -0.51 4.01 3.97 3mv3A1 GLY 1060 HA3 0.00 0.21 0.68 -0.51 4.01 4.39 3mv3A1 ASN 1061 H -0.01 0.64 -0.36 -0.55 8.53 8.26 3mv3A1 ASN 1061 HA -0.01 0.06 0.50 -0.75 4.76 4.56 3mv3A1 ASN 1061 HB2 -0.01 0.12 -0.01 -0.04 2.88 2.94 3mv3A1 ASN 1061 HB3 -0.01 -0.08 0.14 -0.04 2.79 2.81 3mv3A1 ASN 1061 HD21 -0.00 -0.08 0.09 -0.04 7.03 7.00 3mv3A1 ASN 1061 HD22 -0.00 0.07 0.16 -0.04 7.74 7.92 3mv3A1 THR 1062 H -0.03 -0.14 -0.97 -0.55 8.28 6.59 3mv3A1 THR 1062 HA -0.13 0.07 0.23 -0.75 4.39 3.80 3mv3A1 THR 1062 HB -0.14 0.09 -0.08 -0.04 4.32 4.16 3mv3A1 THR 1062 HG23 -0.06 -0.02 0.04 -0.04 1.22 1.13 3mv3A1 VAL 1063 H -0.04 0.06 -0.32 -0.55 8.24 7.38 3mv3A1 VAL 1063 HA -0.06 0.05 0.33 -0.75 4.13 3.69 3mv3A1 VAL 1063 HB -0.01 -0.05 0.08 -0.04 2.12 2.10 3mv3A1 VAL 1063 HG13 -0.00 -0.01 0.01 -0.04 0.97 0.93 3mv3A1 VAL 1063 HG23 -0.01 -0.00 0.04 -0.04 0.95 0.94 3mv3A1 ARG 1064 H -0.02 0.19 0.01 -0.55 8.46 8.08 3mv3A1 ARG 1064 HA -0.01 -0.04 0.28 -0.75 4.34 3.82 3mv3A1 ARG 1064 HB2 0.01 -0.07 0.13 -0.04 1.90 1.93 3mv3A1 ARG 1064 HB3 -0.01 0.17 0.15 -0.04 1.80 2.07 3mv3A1 ARG 1064 HG2 0.02 0.01 0.05 -0.04 1.67 1.70 3mv3A1 ARG 1064 HG3 0.01 0.01 0.07 -0.04 1.67 1.72 3mv3A1 ARG 1064 HD2 0.04 -0.08 0.11 -0.04 3.22 3.25 3mv3A1 ARG 1064 HD3 0.04 -0.04 0.06 -0.04 3.22 3.24 3mv3A1 LEU 1066 HA 0.03 -0.08 0.27 -0.75 4.35 3.81 3mv3A1 LEU 1066 HB2 -0.14 0.09 -0.01 -0.04 1.64 1.54 3mv3A1 LEU 1066 HB3 -0.29 -0.07 -0.03 -0.04 1.64 1.20 3mv3A1 LEU 1066 HG -0.32 0.14 0.07 -0.04 1.64 1.49 3mv3A1 LEU 1066 HD13 -0.51 -0.02 -0.01 -0.04 0.93 0.35 3mv3A1 LEU 1066 HD23 -0.25 -0.03 -0.00 -0.04 0.89 0.57 3mv3A1 GLU 1067 H -0.10 0.55 -1.54 -0.55 8.60 6.97 3mv3A1 GLU 1067 HA -0.28 -0.10 0.40 -0.75 4.29 3.56 3mv3A1 GLU 1067 HB2 -0.08 0.15 0.13 -0.04 2.09 2.26 3mv3A1 GLU 1067 HB3 -0.15 0.16 0.25 -0.04 1.99 2.21 3mv3A1 GLU 1067 HG2 -0.29 0.04 0.00 -0.04 2.34 2.05 3mv3A1 GLU 1067 HG3 -0.08 -0.20 0.10 -0.04 2.34 2.11 3mv3A1 LEU 1068 H -0.15 0.66 0.24 -0.55 8.37 8.57 3mv3A1 LEU 1068 HA -0.13 0.02 0.39 -0.75 4.35 3.88 3mv3A1 LEU 1068 HB2 -0.06 0.01 0.00 -0.04 1.64 1.56 3mv3A1 LEU 1068 HB3 -0.05 -0.04 -0.12 -0.04 1.64 1.39 3mv3A1 LEU 1068 HG 0.00 0.15 0.11 -0.04 1.64 1.87 3mv3A1 LEU 1068 HD13 0.05 0.01 -0.12 -0.04 0.93 0.83 3mv3A1 LEU 1068 HD23 0.20 -0.00 0.01 -0.04 0.89 1.06 3mv3A1 ALA 1069 H -0.08 0.22 -0.25 -0.55 8.40 7.75 3mv3A1 ALA 1069 HA -0.00 -0.00 0.27 -0.75 4.34 3.85 3mv3A1 ALA 1069 HB3 -0.00 0.05 -0.04 -0.04 1.41 1.38 3mv3A1 ALA 1070 H -0.24 0.47 -0.55 -0.55 8.40 7.53 3mv3A1 ALA 1070 HA -0.62 0.07 0.59 -0.75 4.34 3.62 3mv3A1 ALA 1070 HB3 -0.51 0.02 0.05 -0.04 1.41 0.93 3mv3A1 TYR 1071 H -0.23 0.42 -0.05 -0.55 8.29 7.89 3mv3A1 TYR 1071 HA -0.12 0.03 0.49 -0.75 4.56 4.21 3mv3A1 TYR 1071 HB2 -0.09 0.11 0.17 -0.04 3.06 3.21 3mv3A1 TYR 1071 HB3 -0.11 -0.10 -0.08 -0.04 2.98 2.64 3mv3A1 TYR 1071 HD2 -0.04 0.01 -0.15 -0.04 7.15 6.93 3mv3A1 TYR 1071 HE2 0.17 0.05 -0.03 -0.04 6.85 7.00 3mv3A1 PHE 1072 H 0.11 0.70 -0.05 -0.55 8.34 8.55 3mv3A1 PHE 1072 HA -0.11 -0.02 0.37 -0.75 4.62 4.10 3mv3A1 PHE 1072 HB2 -0.12 -0.01 0.05 -0.04 3.15 3.03 3mv3A1 PHE 1072 HB3 -0.16 0.23 0.01 -0.04 3.06 3.11 3mv3A1 PHE 1072 HD2 -0.10 0.01 0.10 -0.04 7.28 7.25 3mv3A1 PHE 1072 HE2 -0.02 -0.03 -0.11 -0.04 7.38 7.19 3mv3A1 PHE 1072 HZ 0.12 -0.02 -0.11 -0.04 7.32 7.27 3mv3A1 THR 1073 H -0.16 0.21 -0.81 -0.55 8.28 6.98 3mv3A1 THR 1073 HA -0.36 -0.02 0.28 -0.75 4.39 3.54 3mv3A1 THR 1073 HB -0.21 0.41 0.03 -0.04 4.32 4.51 3mv3A1 THR 1073 HG23 -0.04 -0.03 -0.09 -0.04 1.22 1.02 3mv3A1 LYS 1074 H 0.01 0.76 -0.36 -0.55 8.42 8.27 3mv3A1 LYS 1074 HA 0.09 0.05 0.45 -0.75 4.32 4.16 3mv3A1 LYS 1074 HB2 0.11 0.15 0.18 -0.04 1.87 2.27 3mv3A1 LYS 1074 HB3 0.02 -0.13 -0.06 -0.04 1.79 1.58 3mv3A1 LYS 1074 HG2 0.45 0.03 0.01 -0.04 1.46 1.90 3mv3A1 LYS 1074 HG3 0.44 -0.09 -0.05 -0.04 1.46 1.71 3mv3A1 LYS 1074 HD2 0.14 -0.10 0.06 -0.04 1.69 1.75 3mv3A1 LYS 1074 HD3 0.13 0.01 0.16 -0.04 1.68 1.94 3mv3A1 LYS 1074 HE2 0.20 0.04 0.07 -0.04 2.99 3.26 3mv3A1 LYS 1074 HE3 0.68 -0.04 0.06 -0.04 2.99 3.64 3mv3A1 ALA 1075 H -0.05 0.42 -0.30 -0.55 8.40 7.92 3mv3A1 ALA 1075 HA -0.08 -0.10 0.41 -0.75 4.34 3.82 3mv3A1 ALA 1075 HB3 -0.08 0.04 0.16 -0.04 1.41 1.49 3mv3A1 LYS 1076 H -0.08 0.07 0.23 -0.55 8.42 8.08 3mv3A1 LYS 1076 HA -0.10 0.13 0.36 -0.75 4.32 3.96 3mv3A1 LYS 1076 HB2 -0.06 -0.07 0.22 -0.04 1.87 1.91 3mv3A1 LYS 1076 HB3 -0.05 -0.04 0.16 -0.04 1.79 1.81 3mv3A1 LYS 1076 HG2 -0.04 0.01 0.06 -0.04 1.46 1.45 3mv3A1 LYS 1076 HG3 -0.03 0.17 0.15 -0.04 1.46 1.70 3mv3A1 LYS 1076 HD2 -0.03 -0.05 0.05 -0.04 1.69 1.62 3mv3A1 LYS 1076 HD3 -0.02 -0.01 0.04 -0.04 1.68 1.66 3mv3A1 LYS 1076 HE2 -0.02 0.06 0.07 -0.04 2.99 3.06 3mv3A1 LYS 1076 HE3 -0.04 -0.03 0.07 -0.04 2.99 2.95 3mv3A1 LEU 1077 H -0.22 0.60 0.41 -0.55 8.37 8.62 3mv3A1 LEU 1077 HA -0.28 0.08 0.64 -0.75 4.35 4.03 3mv3A1 LEU 1077 HB2 -0.33 0.07 -0.15 -0.04 1.64 1.19 3mv3A1 LEU 1077 HB3 -0.86 -0.15 0.03 -0.04 1.64 0.62 3mv3A1 LEU 1077 HG -0.36 0.50 0.05 -0.04 1.64 1.78 3mv3A1 LEU 1077 HD13 -0.45 -0.04 -0.14 -0.04 0.93 0.26 3mv3A1 LEU 1077 HD23 -0.96 -0.05 -0.32 -0.04 0.89 -0.48 3mv3A1 SER 1078 H 0.02 0.07 0.11 -0.55 8.46 8.11 3mv3A1 SER 1078 HA -0.02 0.13 0.38 -0.75 4.49 4.24 3mv3A1 SER 1078 HB2 0.02 0.01 0.09 -0.04 3.95 4.03 3mv3A1 SER 1078 HB3 0.08 0.07 0.13 -0.04 3.93 4.17 3mv3A1 PRO 1079 HA -0.12 0.18 0.42 -0.51 4.44 4.40 3mv3A1 PRO 1079 HB2 -0.12 0.07 0.04 -0.04 2.28 2.24 3mv3A1 PRO 1079 HB3 -0.09 0.12 0.15 -0.04 2.02 2.16 3mv3A1 PRO 1079 HG2 -0.08 -0.23 0.16 -0.04 2.03 1.84 3mv3A1 PRO 1079 HG3 -0.06 0.10 0.12 -0.04 2.03 2.15 3mv3A1 PRO 1079 HD2 -0.04 0.02 0.23 -0.04 3.68 3.85 3mv3A1 PRO 1079 HD3 -0.05 0.21 0.23 -0.04 3.65 4.00 3mv3A1 ILE 1080 H -0.13 0.15 -0.09 -0.55 8.25 7.64 3mv3A1 ILE 1080 HA -0.19 0.07 0.26 -0.75 4.18 3.57 3mv3A1 ILE 1080 HB -0.16 0.04 0.08 -0.04 1.89 1.81 3mv3A1 ILE 1080 HG12 -0.49 0.05 -0.59 -0.04 1.49 0.42 3mv3A1 ILE 1080 HG13 -0.20 -0.01 -0.01 -0.04 1.21 0.96 3mv3A1 ILE 1080 HG23 -0.20 -0.01 -0.04 -0.04 0.93 0.64 3mv3A1 ILE 1080 HD13 -0.23 0.00 -0.05 -0.04 0.88 0.57 3mv3A1 HIS 1081 H -0.15 0.17 -0.56 -0.55 8.41 7.32 3mv3A1 HIS 1081 HA -0.01 0.07 0.60 -0.75 4.63 4.54 3mv3A1 HIS 1081 HB2 -0.26 0.05 0.05 -0.04 3.26 3.06 3mv3A1 HIS 1081 HB3 -0.61 0.03 0.00 -0.04 3.20 2.58 3mv3A1 HIS 1081 HD2 0.23 0.03 -0.02 -0.04 6.97 7.17 3mv3A1 HIS 1081 HE1 -0.04 0.00 -0.01 -0.04 7.75 7.66 3mv3A1 ARG 1082 H -0.14 0.59 -0.04 -0.55 8.46 8.31 3mv3A1 ARG 1082 HA -0.26 0.04 0.42 -0.75 4.34 3.78 3mv3A1 ARG 1082 HB2 -0.19 0.06 0.02 -0.04 1.90 1.75 3mv3A1 ARG 1082 HB3 -0.17 0.05 0.11 -0.04 1.80 1.76 3mv3A1 ARG 1082 HG2 -0.25 -0.19 0.15 -0.04 1.67 1.34 3mv3A1 ARG 1082 HG3 -0.22 0.16 0.07 -0.04 1.67 1.65 3mv3A1 ARG 1082 HD2 -0.12 -0.02 -0.01 -0.04 3.22 3.02 3mv3A1 ARG 1082 HD3 -0.15 -0.05 -0.07 -0.04 3.22 2.92 3mv3A1 THR 1083 H -0.15 0.29 -0.64 -0.55 8.28 7.24 3mv3A1 THR 1083 HA -0.26 0.06 0.31 -0.75 4.39 3.74 3mv3A1 THR 1083 HB -0.15 0.37 0.12 -0.04 4.32 4.62 3mv3A1 THR 1083 HG23 -0.03 -0.02 -0.28 -0.04 1.22 0.84 3mv3A1 ASN 1084 H 0.04 0.27 -0.15 -0.55 8.53 8.14 3mv3A1 ASN 1084 HA 0.08 -0.01 0.33 -0.75 4.76 4.40 3mv3A1 ASN 1084 HB2 0.26 0.16 0.07 -0.04 2.88 3.33 3mv3A1 ASN 1084 HB3 0.10 0.00 0.02 -0.04 2.79 2.87 3mv3A1 ASN 1084 HD21 0.11 -0.01 0.04 -0.04 7.03 7.12 3mv3A1 ASN 1084 HD22 0.04 0.04 0.03 -0.04 7.74 7.80 3mv3A1 ALA 1085 H -0.18 0.19 -0.64 -0.55 8.40 7.22 3mv3A1 ALA 1085 HA -0.44 0.00 0.35 -0.75 4.34 3.50 3mv3A1 ALA 1085 HB3 -1.07 0.05 -0.03 -0.04 1.41 0.32 3mv3A1 LEU 1086 H -0.23 0.70 0.08 -0.55 8.37 8.37 3mv3A1 LEU 1086 HA -0.33 -0.03 0.33 -0.75 4.35 3.57 3mv3A1 LEU 1086 HB2 0.05 0.05 0.13 -0.04 1.64 1.82 3mv3A1 LEU 1086 HB3 0.05 -0.05 -0.10 -0.04 1.64 1.50 3mv3A1 LEU 1086 HG -0.19 0.22 0.05 -0.04 1.64 1.68 3mv3A1 LEU 1086 HD13 -0.12 -0.04 -0.25 -0.04 0.93 0.48 3mv3A1 LEU 1086 HD23 -0.17 -0.02 -0.02 -0.04 0.89 0.64 3mv3A1 GLN 1087 H 0.10 0.74 -0.23 -0.55 8.47 8.54 3mv3A1 GLN 1087 HA -0.04 -0.02 0.27 -0.75 4.36 3.81 3mv3A1 GLN 1087 HB2 0.23 -0.05 -0.02 -0.04 2.15 2.27 3mv3A1 GLN 1087 HB3 0.06 0.08 0.01 -0.04 2.02 2.13 3mv3A1 GLN 1087 HG2 -0.05 0.06 -0.12 -0.04 2.40 2.25 3mv3A1 GLN 1087 HG3 -0.18 -0.06 -0.02 -0.04 2.39 2.09 3mv3A1 GLN 1087 HE21 0.03 -0.07 -0.04 -0.04 6.97 6.85 3mv3A1 GLN 1087 HE22 0.05 0.13 -0.05 -0.04 7.69 7.78 3mv3A1 VAL 1088 H -0.01 0.45 -0.21 -0.55 8.24 7.92 3mv3A1 VAL 1088 HA 0.01 -0.09 0.37 -0.75 4.13 3.67 3mv3A1 VAL 1088 HB 0.07 0.20 0.19 -0.04 2.12 2.54 3mv3A1 VAL 1088 HG13 0.05 -0.05 -0.15 -0.04 0.97 0.78 3mv3A1 VAL 1088 HG23 0.12 0.09 0.10 -0.04 0.95 1.21 3mv3A1 ALA 1089 H -0.19 0.55 -0.17 -0.55 8.40 8.04 3mv3A1 ALA 1089 HA -0.14 -0.08 0.15 -0.75 4.34 3.52 3mv3A1 ALA 1089 HB3 -1.02 0.07 0.02 -0.04 1.41 0.45 3mv3A1 SER 1091 HA 0.02 -0.13 0.33 -0.75 4.49 3.95 3mv3A1 SER 1091 HB2 0.04 -0.09 -0.05 -0.04 3.95 3.80 3mv3A1 SER 1091 HB3 -0.03 -0.08 0.07 -0.04 3.93 3.84 3mv3A1 GLN 1092 H 0.10 0.57 -0.21 -0.55 8.47 8.39 3mv3A1 GLN 1092 HA 0.19 -0.13 0.34 -0.75 4.36 4.00 3mv3A1 GLN 1092 HB2 0.17 0.15 0.07 -0.04 2.15 2.49 3mv3A1 GLN 1092 HB3 0.10 -0.06 0.12 -0.04 2.02 2.14 3mv3A1 GLN 1092 HG2 0.07 0.22 0.10 -0.04 2.40 2.74 3mv3A1 GLN 1092 HG3 0.05 -0.03 0.01 -0.04 2.39 2.38 3mv3A1 GLN 1092 HE21 0.06 -0.06 -0.01 -0.04 6.97 6.92 3mv3A1 GLN 1092 HE22 0.05 0.07 0.01 -0.04 7.69 7.78 3mv3A1 HIS 1093 H 0.32 0.49 -0.45 -0.55 8.41 8.22 3mv3A1 HIS 1093 HA 0.08 0.15 0.76 -0.75 4.63 4.86 3mv3A1 HIS 1093 HB2 0.24 0.16 0.02 -0.04 3.26 3.64 3mv3A1 HIS 1093 HB3 0.09 -0.05 0.24 -0.04 3.20 3.44 3mv3A1 HIS 1093 HD2 0.11 -0.09 0.06 -0.04 6.97 7.00 3mv3A1 HIS 1093 HE1 0.04 0.18 0.01 -0.04 7.75 7.94 3mv3A1 PHE 1094 H 0.17 0.01 -0.29 -0.55 8.34 7.68 3mv3A1 PHE 1094 HA -0.30 -0.00 0.66 -0.75 4.62 4.22 3mv3A1 PHE 1094 HB2 0.00 0.09 -0.16 -0.04 3.15 3.04 3mv3A1 PHE 1094 HB3 -0.01 0.04 0.02 -0.04 3.06 3.07 3mv3A1 PHE 1094 HD2 0.01 0.02 -0.06 -0.04 7.28 7.20 3mv3A1 PHE 1094 HE2 0.20 0.02 -0.04 -0.04 7.38 7.53 3mv3A1 PHE 1094 HZ 0.18 -0.03 -0.09 -0.04 7.32 7.34 3mv3A1 LYS 1095 H 0.13 0.33 0.10 -0.55 8.42 8.43 3mv3A1 LYS 1095 HA -0.06 0.09 0.56 -0.75 4.32 4.15 3mv3A1 LYS 1095 HB2 0.05 0.05 0.06 -0.04 1.87 2.00 3mv3A1 LYS 1095 HB3 -0.23 0.00 0.15 -0.04 1.79 1.67 3mv3A1 LYS 1095 HG2 -0.00 -0.02 0.05 -0.04 1.46 1.45 3mv3A1 LYS 1095 HG3 0.07 0.02 -0.04 -0.04 1.46 1.47 3mv3A1 LYS 1095 HD2 0.05 0.04 -0.02 -0.04 1.69 1.71 3mv3A1 LYS 1095 HD3 -0.00 -0.02 0.03 -0.04 1.68 1.64 3mv3A1 LYS 1095 HE2 0.02 -0.03 0.00 -0.04 2.99 2.94 3mv3A1 LYS 1095 HE3 0.03 0.02 -0.03 -0.04 2.99 2.97 3mv3A1 HIS 1096 H -0.06 -0.18 -0.89 -0.55 8.41 6.73 3mv3A1 HIS 1096 HA -0.08 0.16 0.56 -0.75 4.63 4.52 3mv3A1 HIS 1096 HB2 -0.14 0.18 0.09 -0.04 3.26 3.35 3mv3A1 HIS 1096 HB3 -0.12 -0.02 0.11 -0.04 3.20 3.13 3mv3A1 HIS 1096 HD2 -0.02 0.09 -0.04 -0.04 6.97 6.95 3mv3A1 HIS 1096 HE1 -0.02 -0.11 0.03 -0.04 7.75 7.60 3mv3A1 LYS 1097 H -0.25 0.32 -0.24 -0.55 8.42 7.69 3mv3A1 LYS 1097 HA -0.85 0.06 0.31 -0.75 4.32 3.08 3mv3A1 LYS 1097 HB2 0.01 0.05 0.04 -0.04 1.87 1.92 3mv3A1 LYS 1097 HB3 -0.01 0.05 -0.14 -0.04 1.79 1.64 3mv3A1 LYS 1097 HG2 0.21 -0.13 0.16 -0.04 1.46 1.66 3mv3A1 LYS 1097 HG3 0.82 0.02 0.05 -0.04 1.46 2.32 3mv3A1 LYS 1097 HD2 0.10 0.03 0.02 -0.04 1.69 1.80 3mv3A1 LYS 1097 HD3 0.07 0.01 0.03 -0.04 1.68 1.75 3mv3A1 LYS 1097 HE2 0.10 -0.07 0.03 -0.04 2.99 3.00 3mv3A1 LYS 1097 HE3 0.10 0.04 0.02 -0.04 2.99 3.10 3mv3A1 ASN 1098 H -0.61 0.24 -0.42 -0.55 8.53 7.19 3mv3A1 ASN 1098 HA -0.06 0.16 0.95 -0.75 4.76 5.05 3mv3A1 ASN 1098 HB2 -0.13 0.05 -0.04 -0.04 2.88 2.71 3mv3A1 ASN 1098 HB3 0.11 -0.10 0.29 -0.04 2.79 3.06 3mv3A1 ASN 1098 HD21 0.04 -0.18 -0.07 -0.04 7.03 6.77 3mv3A1 ASN 1098 HD22 0.05 0.07 0.19 -0.04 7.74 8.01 3mv3A1 PHE 1099 H -0.12 0.19 0.01 -0.55 8.34 7.87 3mv3A1 PHE 1099 HA 0.15 0.04 0.57 -0.75 4.62 4.62 3mv3A1 PHE 1099 HB2 0.04 0.04 0.15 -0.04 3.15 3.33 3mv3A1 PHE 1099 HB3 0.09 0.07 0.29 -0.04 3.06 3.47 3mv3A1 PHE 1099 HD2 0.01 -0.04 0.07 -0.04 7.28 7.28 3mv3A1 PHE 1099 HE2 -0.50 0.04 0.00 -0.04 7.38 6.89 3mv3A1 PHE 1099 HZ -0.29 0.01 0.05 -0.04 7.32 7.06 3mv3A1 LEU 1100 H 0.15 0.31 -0.30 -0.55 8.37 7.99 3mv3A1 LEU 1100 HA 0.11 0.13 0.51 -0.75 4.35 4.35 3mv3A1 LEU 1100 HB2 0.11 0.34 -0.01 -0.04 1.64 2.03 3mv3A1 LEU 1100 HB3 0.08 0.00 -0.05 -0.04 1.64 1.63 3mv3A1 LEU 1100 HG 0.04 -0.02 0.04 -0.04 1.64 1.67 3mv3A1 LEU 1100 HD13 0.07 -0.03 -0.13 -0.04 0.93 0.80 3mv3A1 LEU 1100 HD23 0.04 -0.00 -0.19 -0.04 0.89 0.70 3mv3A1 GLN 1101 H 0.10 0.17 -0.21 -0.55 8.47 7.99 3mv3A1 GLN 1101 HA -0.04 0.19 0.84 -0.75 4.36 4.60 3mv3A1 GLN 1101 HB2 0.10 0.10 0.08 -0.04 2.15 2.39 3mv3A1 GLN 1101 HB3 -0.53 -0.02 0.06 -0.04 2.02 1.49 3mv3A1 GLN 1101 HG2 0.20 0.05 -0.01 -0.04 2.40 2.59 3mv3A1 GLN 1101 HG3 0.03 0.10 -0.11 -0.04 2.39 2.37 3mv3A1 GLN 1101 HE21 0.10 0.00 -0.07 -0.04 6.97 6.96 3mv3A1 GLN 1101 HE22 0.07 0.10 -0.29 -0.04 7.69 7.53 3mv3A1 ALA 1102 H 0.10 0.42 0.33 -0.55 8.40 8.71 3mv3A1 ALA 1102 HA 0.16 0.07 0.39 -0.75 4.34 4.20 3mv3A1 ALA 1102 HB3 0.25 0.10 0.07 -0.04 1.41 1.79 3mv3A1 SER 1103 H 0.17 0.39 -0.15 -0.55 8.46 8.32 3mv3A1 SER 1103 HA 0.13 0.04 0.33 -0.75 4.49 4.23 3mv3A1 SER 1103 HB2 0.17 0.09 0.03 -0.04 3.95 4.20 3mv3A1 SER 1103 HB3 0.13 0.03 -0.04 -0.04 3.93 4.00 3mv3A1 TYR 1104 H 0.09 0.05 -0.85 -0.55 8.29 7.03 3mv3A1 TYR 1104 HA -0.00 0.05 0.43 -0.75 4.56 4.28 3mv3A1 TYR 1104 HB2 -0.08 0.01 0.06 -0.04 3.06 3.01 3mv3A1 TYR 1104 HB3 -0.38 0.20 0.24 -0.04 2.98 2.99 3mv3A1 TYR 1104 HD2 -0.37 -0.00 0.02 -0.04 7.15 6.75 3mv3A1 TYR 1104 HE2 0.28 0.01 -0.03 -0.04 6.85 7.07 3mv3A1 PHE 1105 H -0.28 0.72 0.12 -0.55 8.34 8.35 3mv3A1 PHE 1105 HA -0.41 0.02 0.42 -0.75 4.62 3.90 3mv3A1 PHE 1105 HB2 -0.07 0.00 0.14 -0.04 3.15 3.18 3mv3A1 PHE 1105 HB3 -0.11 0.12 0.01 -0.04 3.06 3.04 3mv3A1 PHE 1105 HD2 -0.32 0.00 -0.05 -0.04 7.28 6.87 3mv3A1 PHE 1105 HE2 -0.31 0.02 -0.03 -0.04 7.38 7.01 3mv3A1 PHE 1105 HZ -0.36 -0.02 0.00 -0.04 7.32 6.90 3mv3A1 ALA 1106 H 0.11 0.51 -0.00 -0.55 8.40 8.48 3mv3A1 ALA 1106 HA -0.04 -0.03 0.29 -0.75 4.34 3.80 3mv3A1 ALA 1106 HB3 -0.02 0.06 0.04 -0.04 1.41 1.45 3mv3A1 GLY 1107 H 0.04 0.24 -0.92 -0.55 8.43 7.25 3mv3A1 GLY 1107 HA2 0.06 -0.03 0.48 -0.51 4.01 4.01 3mv3A1 GLY 1107 HA3 0.05 0.14 0.30 -0.51 4.01 4.00 3mv3A1 GLU 1108 H -0.09 0.94 0.20 -0.55 8.60 9.11 3mv3A1 GLU 1108 HA -0.03 -0.03 0.40 -0.75 4.29 3.88 3mv3A1 GLU 1108 HB2 -0.47 0.08 0.12 -0.04 2.09 1.78 3mv3A1 GLU 1108 HB3 -0.18 0.03 0.06 -0.04 1.99 1.85 3mv3A1 GLU 1108 HG2 -0.14 -0.00 -0.01 -0.04 2.34 2.15 3mv3A1 GLU 1108 HG3 -0.08 -0.02 0.03 -0.04 2.34 2.22 3mv3A1 PHE 1109 H 0.13 0.41 -0.71 -0.55 8.34 7.62 3mv3A1 PHE 1109 HA -0.07 0.03 0.45 -0.75 4.62 4.27 3mv3A1 PHE 1109 HB2 -0.06 0.01 -0.12 -0.04 3.15 2.94 3mv3A1 PHE 1109 HB3 -0.04 0.25 0.09 -0.04 3.06 3.32 3mv3A1 PHE 1109 HD2 -0.05 0.10 -0.38 -0.04 7.28 6.91 3mv3A1 PHE 1109 HE2 -0.04 -0.04 -0.14 -0.04 7.38 7.13 3mv3A1 PHE 1109 HZ -0.03 -0.13 -0.17 -0.04 7.32 6.95 3mv3A1 LEU 1110 H 0.27 0.63 0.11 -0.55 8.37 8.83 3mv3A1 LEU 1110 HA 0.30 0.04 0.42 -0.75 4.35 4.36 3mv3A1 LEU 1110 HB2 0.09 0.10 0.15 -0.04 1.64 1.94 3mv3A1 LEU 1110 HB3 0.08 -0.07 0.09 -0.04 1.64 1.70 3mv3A1 LEU 1110 HG 0.05 0.34 0.05 -0.04 1.64 2.04 3mv3A1 LEU 1110 HD13 0.02 -0.04 -0.05 -0.04 0.93 0.83 3mv3A1 LEU 1110 HD23 0.08 -0.04 -0.01 -0.04 0.89 0.88 3mv3A1 LYS 1111 H 0.04 0.33 -0.81 -0.55 8.42 7.42 3mv3A1 LYS 1111 HA 0.01 0.08 0.55 -0.75 4.32 4.20 3mv3A1 LYS 1111 HB2 -0.00 -0.10 0.13 -0.04 1.87 1.86 3mv3A1 LYS 1111 HB3 0.02 0.02 0.02 -0.04 1.79 1.81 3mv3A1 LYS 1111 HG2 -0.01 0.05 0.02 -0.04 1.46 1.48 3mv3A1 LYS 1111 HG3 -0.03 0.04 -0.14 -0.04 1.46 1.29 3mv3A1 LYS 1111 HD2 -0.01 0.00 0.03 -0.04 1.69 1.67 3mv3A1 LYS 1111 HD3 -0.01 -0.08 0.03 -0.04 1.68 1.59 3mv3A1 LYS 1111 HE2 0.02 -0.04 -0.03 -0.04 2.99 2.90 3mv3A1 LYS 1111 HE3 0.02 0.04 -0.10 -0.04 2.99 2.91 3mv3A1 ILE 1112 H -0.07 0.11 -0.61 -0.55 8.25 7.14 3mv3A1 ILE 1112 HA -0.08 0.07 0.65 -0.75 4.18 4.07 3mv3A1 ILE 1112 HB -0.28 0.10 -0.00 -0.04 1.89 1.67 3mv3A1 ILE 1112 HG12 -0.09 -0.01 0.02 -0.04 1.49 1.37 3mv3A1 ILE 1112 HG13 -0.10 0.11 -0.56 -0.04 1.21 0.62 3mv3A1 ILE 1112 HG23 -0.16 -0.06 -0.12 -0.04 0.93 0.54 3mv3A1 ILE 1112 HD13 -0.14 -0.04 -0.05 -0.04 0.88 0.61 3mv3A1 ILE 1113 H -0.15 0.38 0.07 -0.55 8.25 7.99 3mv3A1 ILE 1113 HA -0.08 0.06 0.81 -0.75 4.18 4.22 3mv3A1 ILE 1113 HB -0.19 0.10 0.03 -0.04 1.89 1.79 3mv3A1 ILE 1113 HG12 -0.42 0.02 -0.22 -0.04 1.49 0.83 3mv3A1 ILE 1113 HG13 -0.56 -0.01 -0.09 -0.04 1.21 0.51 3mv3A1 ILE 1113 HG23 0.16 -0.03 -0.27 -0.04 0.93 0.74 3mv3A1 ILE 1113 HD13 -0.10 -0.00 -0.04 -0.04 0.88 0.70 3mv3A1 SER 1114 H -0.01 0.11 0.07 -0.55 8.46 8.09 3mv3A1 SER 1114 HA 0.02 0.22 0.49 -0.75 4.49 4.47 3mv3A1 SER 1114 HB2 0.00 0.05 0.06 -0.04 3.95 4.02 3mv3A1 SER 1114 HB3 0.00 -0.08 0.18 -0.04 3.93 3.99 3mv3A1 SER 1115 H 0.02 0.14 0.06 -0.55 8.46 8.14 3mv3A1 SER 1115 HA 0.03 0.14 0.74 -0.75 4.49 4.66 3mv3A1 SER 1115 HB2 0.02 0.10 -0.20 -0.04 3.95 3.83 3mv3A1 SER 1115 HB3 0.01 -0.03 0.04 -0.04 3.93 3.91 3mv3A1 GLY 1116 H 0.03 0.29 0.15 -0.55 8.43 8.36 3mv3A1 GLY 1116 HA2 0.02 0.18 0.47 -0.51 4.01 4.17 3mv3A1 GLY 1116 HA3 0.04 0.05 0.31 -0.51 4.01 3.90 3mv3A1 PRO 1117 HA -0.00 0.10 0.43 -0.51 4.44 4.46 3mv3A1 PRO 1117 HB2 0.00 0.09 0.03 -0.04 2.28 2.36 3mv3A1 PRO 1117 HB3 0.00 0.06 0.13 -0.04 2.02 2.18 3mv3A1 PRO 1117 HG2 0.02 -0.14 0.14 -0.04 2.03 2.01 3mv3A1 PRO 1117 HG3 0.01 0.12 0.10 -0.04 2.03 2.23 3mv3A1 PRO 1117 HD2 0.02 0.12 0.23 -0.04 3.68 4.01 3mv3A1 PRO 1117 HD3 0.01 0.18 0.20 -0.04 3.65 4.00 3mv3A1 ARG 1118 H 0.02 0.13 -0.10 -0.55 8.46 7.96 3mv3A1 ARG 1118 HA -0.04 0.11 0.39 -0.75 4.34 4.05 3mv3A1 ARG 1118 HB2 0.03 0.05 0.06 -0.04 1.90 2.00 3mv3A1 ARG 1118 HB3 0.08 -0.07 0.04 -0.04 1.80 1.82 3mv3A1 ARG 1118 HG2 -0.13 -0.01 -0.37 -0.04 1.67 1.13 3mv3A1 ARG 1118 HG3 -0.00 0.07 -0.05 -0.04 1.67 1.64 3mv3A1 ARG 1118 HD2 0.39 -0.08 -0.13 -0.04 3.22 3.36 3mv3A1 ARG 1118 HD3 0.57 0.06 -0.16 -0.04 3.22 3.65 3mv3A1 ALA 1119 H 0.07 0.01 -0.28 -0.55 8.40 7.65 3mv3A1 ALA 1119 HA -0.01 0.10 0.31 -0.75 4.34 3.99 3mv3A1 ALA 1119 HB3 0.13 -0.01 -0.10 -0.04 1.41 1.40 3mv3A1 GLU 1120 H -0.01 0.54 -0.21 -0.55 8.60 8.38 3mv3A1 GLU 1120 HA -0.02 0.02 0.40 -0.75 4.29 3.94 3mv3A1 GLU 1120 HB2 -0.02 0.22 0.16 -0.04 2.09 2.41 3mv3A1 GLU 1120 HB3 -0.02 -0.04 0.03 -0.04 1.99 1.91 3mv3A1 GLU 1120 HG2 -0.00 -0.01 0.07 -0.04 2.34 2.36 3mv3A1 GLU 1120 HG3 0.00 -0.01 0.06 -0.04 2.34 2.35 3mv3A1 GLN 1121 H -0.09 0.40 -0.30 -0.55 8.47 7.94 3mv3A1 GLN 1121 HA -0.09 0.01 0.54 -0.75 4.36 4.07 3mv3A1 GLN 1121 HB2 -0.08 -0.03 0.11 -0.04 2.15 2.11 3mv3A1 GLN 1121 HB3 -0.14 0.16 0.16 -0.04 2.02 2.15 3mv3A1 GLN 1121 HG2 -0.19 0.02 -0.27 -0.04 2.40 1.92 3mv3A1 GLN 1121 HG3 -0.12 -0.06 0.03 -0.04 2.39 2.20 3mv3A1 GLN 1121 HE21 -0.06 0.00 -0.02 -0.04 6.97 6.85 3mv3A1 GLN 1121 HE22 -0.08 -0.03 -0.02 -0.04 7.69 7.51 3mv3A1 ALA 1122 H -0.25 0.41 -0.01 -0.55 8.40 8.00 3mv3A1 ALA 1122 HA -0.27 0.02 0.36 -0.75 4.34 3.70 3mv3A1 ALA 1122 HB3 -0.55 0.06 0.12 -0.04 1.41 1.01 3mv3A1 ARG 1123 H -0.09 0.32 -0.48 -0.55 8.46 7.66 3mv3A1 ARG 1123 HA -0.02 0.08 0.45 -0.75 4.34 4.10 3mv3A1 ARG 1123 HB2 -0.03 0.10 0.22 -0.04 1.90 2.15 3mv3A1 ARG 1123 HB3 -0.01 -0.06 0.03 -0.04 1.80 1.72 3mv3A1 ARG 1123 HG2 0.01 0.01 0.03 -0.04 1.67 1.68 3mv3A1 ARG 1123 HG3 -0.02 0.22 0.03 -0.04 1.67 1.86 3mv3A1 ARG 1123 HD2 -0.01 -0.06 0.07 -0.04 3.22 3.19 3mv3A1 ARG 1123 HD3 0.00 -0.04 0.03 -0.04 3.22 3.17 3mv3A1 LYS 1124 H -0.05 0.45 0.08 -0.55 8.42 8.35 3mv3A1 LYS 1124 HA -0.01 -0.05 0.39 -0.75 4.32 3.89 3mv3A1 LYS 1124 HB2 -0.03 0.04 0.21 -0.04 1.87 2.05 3mv3A1 LYS 1124 HB3 -0.07 0.14 0.17 -0.04 1.79 1.99 3mv3A1 LYS 1124 HG2 -0.01 -0.01 -0.02 -0.04 1.46 1.38 3mv3A1 LYS 1124 HG3 -0.00 -0.05 0.11 -0.04 1.46 1.47 3mv3A1 LYS 1124 HD2 -0.01 -0.02 0.04 -0.04 1.69 1.65 3mv3A1 LYS 1124 HD3 -0.03 0.03 0.03 -0.04 1.68 1.67 3mv3A1 LYS 1124 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 3mv3A1 LYS 1124 HE3 0.01 -0.02 0.02 -0.04 2.99 2.95 3mv3A1 ILE 1125 H -0.13 0.45 -0.65 -0.55 8.25 7.37 3mv3A1 ILE 1125 HA -0.28 -0.00 0.44 -0.75 4.18 3.59 3mv3A1 ILE 1125 HB -0.20 0.17 0.05 -0.04 1.89 1.86 3mv3A1 ILE 1125 HG12 -0.27 0.26 -0.05 -0.04 1.49 1.39 3mv3A1 ILE 1125 HG13 -0.33 -0.01 -0.12 -0.04 1.21 0.71 3mv3A1 ILE 1125 HG23 -0.52 -0.01 -0.17 -0.04 0.93 0.20 3mv3A1 ILE 1125 HD13 -0.80 -0.03 -0.06 -0.04 0.88 -0.04 3mv3A1 LYS 1126 H -0.03 0.56 -0.05 -0.55 8.42 8.35 3mv3A1 LYS 1126 HA 0.10 0.02 0.42 -0.75 4.32 4.10 3mv3A1 LYS 1126 HB2 0.02 0.08 0.09 -0.04 1.87 2.02 3mv3A1 LYS 1126 HB3 0.03 0.05 0.11 -0.04 1.79 1.94 3mv3A1 LYS 1126 HG2 0.07 -0.07 0.07 -0.04 1.46 1.49 3mv3A1 LYS 1126 HG3 0.07 0.08 0.11 -0.04 1.46 1.68 3mv3A1 LYS 1126 HD2 0.04 0.02 -0.01 -0.04 1.69 1.70 3mv3A1 LYS 1126 HD3 0.04 -0.04 -0.03 -0.04 1.68 1.61 3mv3A1 LYS 1126 HE2 0.05 -0.04 0.01 -0.04 2.99 2.98 3mv3A1 LYS 1126 HE3 0.06 0.07 0.02 -0.04 2.99 3.11 3mv3A1 ASN 1127 H 0.04 0.33 -0.40 -0.55 8.53 7.95 3mv3A1 ASN 1127 HA 0.05 0.12 0.54 -0.75 4.76 4.72 3mv3A1 ASN 1127 HB2 0.04 0.10 0.18 -0.04 2.88 3.15 3mv3A1 ASN 1127 HB3 0.03 -0.02 -0.03 -0.04 2.79 2.74 3mv3A1 ASN 1127 HD21 0.01 -0.05 -0.14 -0.04 7.03 6.81 3mv3A1 ASN 1127 HD22 0.01 0.01 -0.21 -0.04 7.74 7.51 3mv3A1 LYS 1128 H 0.10 0.45 0.10 -0.55 8.42 8.52 3mv3A1 LYS 1128 HA 0.06 0.03 0.34 -0.75 4.32 3.99 3mv3A1 LYS 1128 HB2 0.34 0.10 0.10 -0.04 1.87 2.37 3mv3A1 LYS 1128 HB3 0.21 -0.03 0.13 -0.04 1.79 2.06 3mv3A1 LYS 1128 HG2 0.07 -0.04 0.07 -0.04 1.46 1.52 3mv3A1 LYS 1128 HG3 0.08 0.07 0.14 -0.04 1.46 1.71 3mv3A1 LYS 1128 HD2 0.16 0.04 0.02 -0.04 1.69 1.86 3mv3A1 LYS 1128 HD3 0.14 -0.02 0.04 -0.04 1.68 1.79 3mv3A1 LYS 1128 HE2 0.05 -0.03 0.03 -0.04 2.99 3.00 3mv3A1 LYS 1128 HE3 0.05 0.00 0.03 -0.04 2.99 3.03 3mv3A1 ALA 1129 H 0.21 0.03 -1.29 -0.55 8.40 6.80 3mv3A1 ALA 1129 HA 0.20 0.06 0.80 -0.75 4.34 4.64 3mv3A1 ALA 1129 HB3 0.59 -0.01 0.05 -0.04 1.41 2.00 3mv3A1 ASP 1130 H 0.09 0.37 -0.07 -0.55 8.40 8.24 3mv3A1 ASP 1130 HA 0.06 0.06 0.69 -0.75 4.63 4.70 3mv3A1 ASP 1130 HB2 0.06 0.29 0.41 -0.04 2.71 3.43 3mv3A1 ASP 1130 HB3 0.03 -0.12 0.27 -0.04 2.70 2.85 3mv3A1 SER 1131 H -0.07 0.10 -1.08 -0.55 8.46 6.86 3mv3A1 SER 1131 HA -0.04 0.20 0.74 -0.75 4.49 4.63 3mv3A1 SER 1131 HB2 -0.05 -0.07 0.03 -0.04 3.95 3.82 3mv3A1 SER 1131 HB3 -0.03 0.04 -0.20 -0.04 3.93 3.71 3mv3A1 ALA 1133 HA 0.08 -0.03 0.15 -0.75 4.34 3.79 3mv3A1 ALA 1133 HB3 0.02 -0.01 0.07 -0.04 1.41 1.46 3mv3A1 SER 1134 H 0.23 0.07 0.07 -0.55 8.46 8.28 3mv3A1 SER 1134 HA 0.09 0.19 0.79 -0.75 4.49 4.81 3mv3A1 SER 1134 HB2 0.18 0.08 0.06 -0.04 3.95 4.23 3mv3A1 SER 1134 HB3 0.73 -0.09 0.11 -0.04 3.93 4.64 3mv3A1 ASP 1135 H 0.07 0.20 0.13 -0.55 8.40 8.25 3mv3A1 ASP 1135 HA 0.06 0.15 0.75 -0.75 4.63 4.84 3mv3A1 ASP 1135 HB2 0.04 0.01 0.12 -0.04 2.71 2.84 3mv3A1 ASP 1135 HB3 0.04 0.00 0.15 -0.04 2.70 2.85 3mv3A1 ALA 1136 H 0.06 0.27 -0.11 -0.55 8.40 8.07 3mv3A1 ALA 1136 HA 0.03 -0.04 0.34 -0.75 4.34 3.91 3mv3A1 ALA 1136 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 3mv3A1 ILE 1137 H 0.01 0.05 -0.43 -0.55 8.25 7.33 3mv3A1 ILE 1137 HA 0.01 0.15 0.70 -0.75 4.18 4.29 3mv3A1 ILE 1137 HB -0.07 -0.01 0.02 -0.04 1.89 1.78 3mv3A1 ILE 1137 HG12 -0.00 0.08 -0.21 -0.04 1.49 1.32 3mv3A1 ILE 1137 HG13 -0.01 -0.22 -0.89 -0.04 1.21 0.05 3mv3A1 ILE 1137 HG23 -0.03 0.01 -0.07 -0.04 0.93 0.79 3mv3A1 ILE 1137 HD13 -0.03 -0.01 -0.09 -0.04 0.88 0.71 3mv3A1 PRO 1138 HA 0.06 0.02 0.47 -0.51 4.44 4.49 3mv3A1 PRO 1138 HB2 0.05 0.02 -0.04 -0.04 2.28 2.27 3mv3A1 PRO 1138 HB3 0.04 0.02 0.08 -0.04 2.02 2.11 3mv3A1 PRO 1138 HG2 0.03 0.00 0.13 -0.04 2.03 2.15 3mv3A1 PRO 1138 HG3 0.03 0.01 0.07 -0.04 2.03 2.09 3mv3A1 PRO 1138 HD2 0.01 0.08 0.19 -0.04 3.68 3.93 3mv3A1 PRO 1138 HD3 0.02 0.21 0.11 -0.04 3.65 3.95 3mv3A1 ILE 1139 H 0.12 0.20 0.20 -0.55 8.25 8.22 3mv3A1 ILE 1139 HA 0.10 0.20 0.94 -0.75 4.18 4.66 3mv3A1 ILE 1139 HB 0.27 0.05 -0.01 -0.04 1.89 2.17 3mv3A1 ILE 1139 HG12 0.05 0.08 -0.34 -0.04 1.49 1.24 3mv3A1 ILE 1139 HG13 0.12 0.07 -0.05 -0.04 1.21 1.31 3mv3A1 ILE 1139 HG23 0.10 -0.04 0.02 -0.04 0.93 0.98 3mv3A1 ILE 1139 HD13 0.22 -0.00 -0.16 -0.04 0.88 0.90 3mv3A1 ASP 1140 H 0.19 0.15 0.12 -0.55 8.40 8.31 3mv3A1 ASP 1140 HA 0.19 0.07 0.32 -0.75 4.63 4.46 3mv3A1 ASP 1140 HB2 0.21 0.00 0.12 -0.04 2.71 3.01 3mv3A1 ASP 1140 HB3 0.38 0.01 0.05 -0.04 2.70 3.10 3mv3A1 PHE 1141 H 0.47 0.01 -0.29 -0.55 8.34 7.98 3mv3A1 PHE 1141 HA 0.52 -0.01 0.34 -0.75 4.62 4.71 3mv3A1 PHE 1141 HB2 0.61 0.01 -0.03 -0.04 3.15 3.70 3mv3A1 PHE 1141 HB3 0.26 -0.01 0.02 -0.04 3.06 3.28 3mv3A1 PHE 1141 HD2 0.47 -0.04 -0.14 -0.04 7.28 7.53 3mv3A1 PHE 1141 HE2 0.35 0.00 -0.09 -0.04 7.38 7.61 3mv3A1 PHE 1141 HZ 0.62 0.01 -0.05 -0.04 7.32 7.85 3mv3A1 ASP 1142 H 0.03 0.16 0.06 -0.55 8.40 8.10 3mv3A1 ASP 1142 HA -0.30 0.25 0.88 -0.75 4.63 4.70 3mv3A1 ASP 1142 HB2 -0.06 0.03 0.05 -0.04 2.71 2.68 3mv3A1 ASP 1142 HB3 0.02 0.09 -0.05 -0.04 2.70 2.71 3mv3A1 PRO 1143 HA -0.43 0.10 0.37 -0.51 4.44 3.96 3mv3A1 PRO 1143 HB2 -1.05 0.04 -0.02 -0.04 2.28 1.21 3mv3A1 PRO 1143 HB3 -0.87 0.05 0.08 -0.04 2.02 1.24 3mv3A1 PRO 1143 HG2 -0.23 -0.06 0.07 -0.04 2.03 1.76 3mv3A1 PRO 1143 HG3 -0.75 0.08 0.08 -0.04 2.03 1.40 3mv3A1 PRO 1143 HD2 -0.33 0.14 0.19 -0.04 3.68 3.64 3mv3A1 PRO 1143 HD3 -0.67 0.16 0.04 -0.04 3.65 3.14 3mv3A1 TYR 1144 H 0.03 0.05 -0.30 -0.55 8.29 7.52 3mv3A1 TYR 1144 HA -0.16 0.13 0.37 -0.75 4.56 4.15 3mv3A1 TYR 1144 HB2 -0.15 -0.02 0.02 -0.04 3.06 2.87 3mv3A1 TYR 1144 HB3 -0.11 -0.02 0.16 -0.04 2.98 2.97 3mv3A1 TYR 1144 HD2 -0.17 -0.02 0.02 -0.04 7.15 6.93 3mv3A1 TYR 1144 HE2 -0.15 0.02 -0.00 -0.04 6.85 6.67 3mv3A1 ALA 1145 H -0.30 0.46 -0.39 -0.55 8.40 7.62 3mv3A1 ALA 1145 HA -0.10 0.18 1.07 -0.75 4.34 4.73 3mv3A1 ALA 1145 HB3 -0.11 -0.02 -0.03 -0.04 1.41 1.22 3mv3A1 LYS 1146 H -0.09 0.09 0.15 -0.55 8.42 8.03 3mv3A1 LYS 1146 HA -0.18 0.23 0.87 -0.75 4.32 4.47 3mv3A1 LYS 1146 HB2 -0.01 -0.09 0.21 -0.04 1.87 1.94 3mv3A1 LYS 1146 HB3 -0.02 0.03 0.03 -0.04 1.79 1.79 3mv3A1 LYS 1146 HG2 -0.06 0.10 -0.07 -0.04 1.46 1.39 3mv3A1 LYS 1146 HG3 -0.05 -0.02 0.01 -0.04 1.46 1.36 3mv3A1 LYS 1146 HD2 -0.01 -0.04 0.03 -0.04 1.69 1.63 3mv3A1 LYS 1146 HD3 -0.01 0.01 0.00 -0.04 1.68 1.64 3mv3A1 LYS 1146 HE2 -0.02 0.05 -0.02 -0.04 2.99 2.95 3mv3A1 LYS 1146 HE3 -0.02 0.00 -0.00 -0.04 2.99 2.93 3mv3A1 PHE 1147 H -0.02 0.42 0.22 -0.55 8.34 8.41 3mv3A1 PHE 1147 HA -0.17 0.16 0.60 -0.75 4.62 4.45 3mv3A1 PHE 1147 HB2 -0.63 -0.08 -0.23 -0.04 3.15 2.16 3mv3A1 PHE 1147 HB3 -0.83 -0.01 -0.32 -0.04 3.06 1.86 3mv3A1 PHE 1147 HD2 -0.46 -0.01 -0.16 -0.04 7.28 6.61 3mv3A1 PHE 1147 HE2 0.10 -0.03 -0.09 -0.04 7.38 7.32 3mv3A1 PHE 1147 HZ 0.47 0.02 -0.16 -0.04 7.32 7.60 3mv3A1 ASP 1148 H -0.08 0.51 0.30 -0.55 8.40 8.58 3mv3A1 ASP 1148 HA -0.03 0.23 0.85 -0.75 4.63 4.92 3mv3A1 ASP 1148 HB2 -0.07 -0.02 0.01 -0.04 2.71 2.59 3mv3A1 ASP 1148 HB3 -0.09 0.02 0.01 -0.04 2.70 2.60 3mv3A1 ILE 1149 H -0.17 0.22 0.08 -0.55 8.25 7.82 3mv3A1 ILE 1149 HA -0.38 0.10 0.80 -0.75 4.18 3.94 3mv3A1 ILE 1149 HB -0.19 0.01 0.01 -0.04 1.89 1.67 3mv3A1 ILE 1149 HG12 -0.30 0.05 -0.15 -0.04 1.49 1.05 3mv3A1 ILE 1149 HG13 -0.77 -0.01 -0.25 -0.04 1.21 0.14 3mv3A1 ILE 1149 HG23 -0.13 -0.01 -0.38 -0.04 0.93 0.36 3mv3A1 ILE 1149 HD13 -0.50 -0.01 -0.34 -0.04 0.88 -0.01 3mv3A1 CYS 1150 H -0.14 0.56 0.28 -0.55 8.50 8.65 3mv3A1 CYS 1150 HA -0.16 0.36 0.51 -0.75 4.58 4.53 3mv3A1 CYS 1150 HB2 -0.02 0.15 0.12 -0.04 2.97 3.17 3mv3A1 CYS 1150 HB3 0.02 -0.29 0.34 -0.04 2.97 3.00 3mv3A1 ALA 1151 H -0.47 0.45 0.29 -0.55 8.40 8.12 3mv3A1 ALA 1151 HA 0.28 0.21 0.41 -0.75 4.34 4.49 3mv3A1 ALA 1151 HB3 -0.19 0.00 0.10 -0.04 1.41 1.28 3mv3A1 ALA 1152 H 0.16 -0.24 -0.52 -0.55 8.40 7.25 3mv3A1 ALA 1152 HA 0.00 0.29 0.90 -0.75 4.34 4.77 3mv3A1 ALA 1152 HB3 0.11 -0.02 -0.04 -0.04 1.41 1.42 3mv3A1 THR 1153 H -0.00 -0.23 0.04 -0.55 8.28 7.53 3mv3A1 THR 1153 HA -0.17 0.23 0.68 -0.75 4.39 4.37 3mv3A1 THR 1153 HB 0.02 -0.09 0.04 -0.04 4.32 4.24 3mv3A1 THR 1153 HG23 -0.00 0.03 -0.03 -0.04 1.22 1.17 3mv3A1 TYR 1154 H 0.11 -0.04 0.18 -0.55 8.29 7.99 3mv3A1 TYR 1154 HA -0.05 0.11 0.25 -0.75 4.56 4.12 3mv3A1 TYR 1154 HB2 0.07 0.34 0.55 -0.04 3.06 3.99 3mv3A1 TYR 1154 HB3 0.13 -0.08 0.15 -0.04 2.98 3.14 3mv3A1 TYR 1154 HD2 0.01 0.19 -0.08 -0.04 7.15 7.22 3mv3A1 TYR 1154 HE2 0.01 -0.00 -0.24 -0.04 6.85 6.57 3mv3A1 LYS 1155 H 0.03 -0.03 0.23 -0.55 8.42 8.10 3mv3A1 LYS 1155 HA 0.09 0.20 0.64 -0.75 4.32 4.50 3mv3A1 LYS 1155 HB2 0.02 -0.14 0.05 -0.04 1.87 1.77 3mv3A1 LYS 1155 HB3 0.06 0.10 0.06 -0.04 1.79 1.97 3mv3A1 LYS 1155 HG2 0.08 0.00 -0.37 -0.04 1.46 1.12 3mv3A1 LYS 1155 HG3 0.05 -0.04 -0.05 -0.04 1.46 1.38 3mv3A1 LYS 1155 HD2 0.12 0.02 0.04 -0.04 1.69 1.83 3mv3A1 LYS 1155 HD3 0.12 0.09 -0.06 -0.04 1.68 1.79 3mv3A1 LYS 1155 HE2 0.05 0.00 -0.03 -0.04 2.99 2.97 3mv3A1 LYS 1155 HE3 0.06 -0.04 -0.01 -0.04 2.99 2.96 3mv3A1 PRO 1156 HA -0.49 0.17 0.78 -0.51 4.44 4.39 3mv3A1 PRO 1156 HB2 -1.02 0.01 -0.16 -0.04 2.28 1.07 3mv3A1 PRO 1156 HB3 -1.27 0.06 -0.11 -0.04 2.02 0.66 3mv3A1 PRO 1156 HG2 0.16 -0.00 -0.00 -0.04 2.03 2.14 3mv3A1 PRO 1156 HG3 0.00 0.07 -0.11 -0.04 2.03 1.95 3mv3A1 PRO 1156 HD2 0.06 0.08 0.17 -0.04 3.68 3.95 3mv3A1 PRO 1156 HD3 -0.47 0.19 -0.02 -0.04 3.65 3.31 3mv3A1 ILE 1157 H -0.33 0.89 0.32 -0.55 8.25 8.58 3mv3A1 ILE 1157 HA 0.03 0.12 0.90 -0.75 4.18 4.48 3mv3A1 ILE 1157 HB -0.08 -0.08 0.12 -0.04 1.89 1.81 3mv3A1 ILE 1157 HG12 -0.03 0.01 -0.28 -0.04 1.49 1.14 3mv3A1 ILE 1157 HG13 -0.12 0.01 -0.18 -0.04 1.21 0.88 3mv3A1 ILE 1157 HG23 0.02 0.03 -0.26 -0.04 0.93 0.68 3mv3A1 ILE 1157 HD13 -0.06 -0.02 -0.40 -0.04 0.88 0.37 3mv3A1 TYR 1158 H 0.41 0.12 0.10 -0.55 8.29 8.37 3mv3A1 TYR 1158 HA 0.13 0.29 0.79 -0.75 4.56 5.02 3mv3A1 TYR 1158 HB2 0.06 -0.10 0.11 -0.04 3.06 3.08 3mv3A1 TYR 1158 HB3 0.06 0.02 0.20 -0.04 2.98 3.22 3mv3A1 TYR 1158 HD2 0.08 0.01 -0.02 -0.04 7.15 7.17 3mv3A1 TYR 1158 HE2 0.13 0.05 -0.10 -0.04 6.85 6.89 3mv3A1 GLU 1159 H 0.16 0.26 0.21 -0.55 8.60 8.69 3mv3A1 GLU 1159 HA 0.06 0.13 0.35 -0.75 4.29 4.08 3mv3A1 GLU 1159 HB2 0.07 -0.04 0.09 -0.04 2.09 2.17 3mv3A1 GLU 1159 HB3 0.04 0.03 0.08 -0.04 1.99 2.10 3mv3A1 GLU 1159 HG2 0.04 0.03 0.02 -0.04 2.34 2.39 3mv3A1 GLU 1159 HG3 0.06 0.06 0.11 -0.04 2.34 2.52 3mv3A1 ASP 1160 H 0.13 -0.06 -0.43 -0.55 8.40 7.49 3mv3A1 ASP 1160 HA 0.04 0.10 0.45 -0.75 4.63 4.47 3mv3A1 ASP 1160 HB2 0.06 -0.08 0.04 -0.04 2.71 2.68 3mv3A1 ASP 1160 HB3 0.03 0.02 -0.10 -0.04 2.70 2.62 3mv3A1 THR 1161 H 0.13 0.15 -0.28 -0.55 8.28 7.73 3mv3A1 THR 1161 HA 0.07 0.05 0.35 -0.75 4.39 4.10 3mv3A1 THR 1161 HB 0.09 0.09 -0.05 -0.04 4.32 4.41 3mv3A1 THR 1161 HG23 0.07 0.03 -0.09 -0.04 1.22 1.18 3mv3A1 PRO 1162 HA 0.03 0.12 0.60 -0.51 4.44 4.68 3mv3A1 PRO 1162 HB2 0.03 0.01 0.09 -0.04 2.28 2.37 3mv3A1 PRO 1162 HB3 0.03 0.06 0.13 -0.04 2.02 2.20 3mv3A1 PRO 1162 HG2 0.04 -0.14 0.26 -0.04 2.03 2.15 3mv3A1 PRO 1162 HG3 0.03 0.03 0.13 -0.04 2.03 2.18 3mv3A1 PRO 1162 HD2 0.05 0.01 0.22 -0.04 3.68 3.91 3mv3A1 PRO 1162 HD3 0.04 0.20 0.20 -0.04 3.65 4.05 3mv3A1 SER 1163 H 0.03 0.23 0.18 -0.55 8.46 8.36 3mv3A1 SER 1163 HA 0.05 0.21 1.01 -0.75 4.49 5.01 3mv3A1 SER 1163 HB2 0.03 -0.05 0.00 -0.04 3.95 3.89 3mv3A1 SER 1163 HB3 0.03 -0.02 -0.24 -0.04 3.93 3.65 3mv3A1 VAL 1164 H 0.09 0.49 0.20 -0.55 8.24 8.46 3mv3A1 VAL 1164 HA 0.06 0.15 0.84 -0.75 4.13 4.42 3mv3A1 VAL 1164 HB 0.10 0.03 -0.17 -0.04 2.12 2.04 3mv3A1 VAL 1164 HG13 0.04 0.02 -0.04 -0.04 0.97 0.94 3mv3A1 VAL 1164 HG23 0.08 0.00 -0.50 -0.04 0.95 0.49 3mv3A1 SER 1165 H 0.06 0.16 0.12 -0.55 8.46 8.26 3mv3A1 SER 1165 HA 0.09 0.37 0.93 -0.75 4.49 5.13 3mv3A1 SER 1165 HB2 0.04 0.00 -0.02 -0.04 3.95 3.94 3mv3A1 SER 1165 HB3 0.04 -0.03 -0.02 -0.04 3.93 3.88 3mv3A1 ASP 1166 H 0.09 0.24 0.09 -0.55 8.40 8.26 3mv3A1 ASP 1166 HA 0.08 0.27 0.90 -0.75 4.63 5.13 3mv3A1 ASP 1166 HB2 0.16 0.10 -0.00 -0.04 2.71 2.92 3mv3A1 ASP 1166 HB3 0.17 -0.04 0.18 -0.04 2.70 2.97 3mv3A1 PRO 1167 HA 0.04 0.05 0.28 -0.51 4.44 4.30 3mv3A1 PRO 1167 HB2 0.03 -0.03 -0.24 -0.04 2.28 2.01 3mv3A1 PRO 1167 HB3 0.03 0.01 -0.06 -0.04 2.02 1.97 3mv3A1 PRO 1167 HG2 0.04 0.10 -0.06 -0.04 2.03 2.07 3mv3A1 PRO 1167 HG3 0.03 0.14 -0.18 -0.04 2.03 1.97 3mv3A1 PRO 1167 HD2 0.05 0.05 0.18 -0.04 3.68 3.92 3mv3A1 PRO 1167 HD3 0.04 0.26 0.08 -0.04 3.65 3.99 3mv3A1 LEU 1168 H 0.05 -0.05 -0.39 -0.55 8.37 7.43 3mv3A1 LEU 1168 HA 0.03 0.19 0.80 -0.75 4.35 4.61 3mv3A1 LEU 1168 HB2 0.04 0.13 0.05 -0.04 1.64 1.81 3mv3A1 LEU 1168 HB3 0.04 -0.22 0.17 -0.04 1.64 1.59 3mv3A1 LEU 1168 HG 0.00 -0.00 -0.19 -0.04 1.64 1.41 3mv3A1 LEU 1168 HD13 0.00 0.01 0.01 -0.04 0.93 0.91 3mv3A1 LEU 1168 HD23 0.05 -0.00 -0.06 -0.04 0.89 0.84 3mv3A1 THR 1169 H 0.04 -0.04 0.07 -0.55 8.28 7.81 3mv3A1 THR 1169 HA 0.01 0.17 0.43 -0.75 4.39 4.24 3mv3A1 THR 1169 HB 0.06 -0.15 0.21 -0.04 4.32 4.41 3mv3A1 THR 1169 HG23 0.01 0.01 -0.05 -0.04 1.22 1.15 3mv3A1 GLY 1170 H 0.05 0.29 0.16 -0.55 8.43 8.38 3mv3A1 GLY 1170 HA2 0.02 0.02 0.29 -0.51 4.01 3.83 3mv3A1 GLY 1170 HA3 0.01 0.24 0.83 -0.51 4.01 4.58 3mv3A1 SER 1171 H 0.03 -0.09 -0.08 -0.55 8.46 7.77 3mv3A1 SER 1171 HA -0.12 0.12 0.40 -0.75 4.49 4.14 3mv3A1 SER 1171 HB2 -0.20 -0.00 -0.09 -0.04 3.95 3.61 3mv3A1 SER 1171 HB3 -0.13 0.08 0.08 -0.04 3.93 3.91 3mv3A1 LYS 1172 H -0.30 0.18 0.20 -0.55 8.42 7.96 3mv3A1 LYS 1172 HA -0.08 0.33 0.96 -0.75 4.32 4.78 3mv3A1 LYS 1172 HB2 -0.13 -0.05 -0.01 -0.04 1.87 1.63 3mv3A1 LYS 1172 HB3 -0.06 0.00 -0.08 -0.04 1.79 1.61 3mv3A1 LYS 1172 HG2 -0.03 0.01 -0.20 -0.04 1.46 1.20 3mv3A1 LYS 1172 HG3 -0.07 0.12 -0.12 -0.04 1.46 1.35 3mv3A1 LYS 1172 HD2 -0.04 -0.05 -0.08 -0.04 1.69 1.48 3mv3A1 LYS 1172 HD3 -0.02 -0.01 -0.12 -0.04 1.68 1.49 3mv3A1 LYS 1172 HE2 -0.01 -0.00 -0.09 -0.04 2.99 2.85 3mv3A1 LYS 1172 HE3 -0.02 0.04 -0.05 -0.04 2.99 2.92 3mv3A1 TYR 1173 H 0.13 0.68 0.30 -0.55 8.29 8.84 3mv3A1 TYR 1173 HA 0.00 0.00 0.88 -0.75 4.56 4.68 3mv3A1 TYR 1173 HB2 0.00 0.21 -0.09 -0.04 3.06 3.14 3mv3A1 TYR 1173 HB3 -0.00 -0.16 0.14 -0.04 2.98 2.91 3mv3A1 TYR 1173 HD2 0.00 0.06 -0.16 -0.04 7.15 7.02 3mv3A1 TYR 1173 HE2 0.02 0.13 -0.36 -0.04 6.85 6.60 3mv3A1 VAL 1174 H 0.15 0.03 0.15 -0.55 8.24 8.02 3mv3A1 VAL 1174 HA 0.06 0.24 0.53 -0.75 4.13 4.20 3mv3A1 VAL 1174 HB 0.05 0.04 0.11 -0.04 2.12 2.27 3mv3A1 VAL 1174 HG13 0.05 0.01 0.06 -0.04 0.97 1.04 3mv3A1 VAL 1174 HG23 0.06 -0.04 0.02 -0.04 0.95 0.95 3mv3A1 ILE 1175 H 0.05 0.42 0.19 -0.55 8.25 8.36 3mv3A1 ILE 1175 HA 0.04 0.08 0.10 -0.75 4.18 3.64 3mv3A1 ILE 1175 HB 0.03 -0.05 0.01 -0.04 1.89 1.83 3mv3A1 ILE 1175 HG12 0.04 0.48 0.01 -0.04 1.49 1.98 3mv3A1 ILE 1175 HG13 0.03 -0.04 -0.03 -0.04 1.21 1.13 3mv3A1 ILE 1175 HG23 0.02 0.00 -0.09 -0.04 0.93 0.82 3mv3A1 ILE 1175 HD13 0.03 -0.03 -0.38 -0.04 0.88 0.46 3mv3A1 THR 1176 H 0.03 -0.06 -0.61 -0.55 8.28 7.09 3mv3A1 THR 1176 HA 0.01 0.03 0.28 -0.75 4.39 3.96 3mv3A1 THR 1176 HB 0.02 -0.11 0.00 -0.04 4.32 4.19 3mv3A1 THR 1176 HG23 -0.00 0.02 -0.21 -0.04 1.22 0.98 3mv3A1 GLU 1177 H 0.01 0.23 -0.27 -0.55 8.60 8.02 3mv3A1 GLU 1177 HA -0.04 0.25 0.85 -0.75 4.29 4.59 3mv3A1 GLU 1177 HB2 -0.09 -0.07 0.09 -0.04 2.09 1.98 3mv3A1 GLU 1177 HB3 -0.16 0.01 0.03 -0.04 1.99 1.83 3mv3A1 GLU 1177 HG2 -0.04 0.08 -0.19 -0.04 2.34 2.15 3mv3A1 GLU 1177 HG3 -0.02 -0.11 -0.08 -0.04 2.34 2.09 3mv3A1 LYS 1178 H -0.02 0.36 -0.11 -0.55 8.42 8.09 3mv3A1 LYS 1178 HA -0.02 0.08 0.58 -0.75 4.32 4.21 3mv3A1 LYS 1178 HB2 0.01 0.00 -0.03 -0.04 1.87 1.81 3mv3A1 LYS 1178 HB3 -0.00 0.04 0.03 -0.04 1.79 1.81 3mv3A1 LYS 1178 HG2 -0.00 -0.01 -0.11 -0.04 1.46 1.30 3mv3A1 LYS 1178 HG3 -0.00 -0.09 0.14 -0.04 1.46 1.47 3mv3A1 LYS 1178 HD2 0.02 -0.00 -0.02 -0.04 1.69 1.64 3mv3A1 LYS 1178 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 3mv3A1 LYS 1178 HE2 0.01 -0.02 -0.06 -0.04 2.99 2.88 3mv3A1 LYS 1178 HE3 0.01 -0.08 -0.02 -0.04 2.99 2.86 3mv3A1 ASP 1179 H -0.02 0.55 0.23 -0.55 8.40 8.62 3mv3A1 ASP 1179 HA -0.02 0.07 0.36 -0.75 4.63 4.29 3mv3A1 ASP 1179 HB2 -0.02 0.10 -0.20 -0.04 2.71 2.56 3mv3A1 ASP 1179 HB3 -0.01 -0.05 0.20 -0.04 2.70 2.80 3mv3A1 LYS 1180 H -0.08 0.12 -0.49 -0.55 8.42 7.42 3mv3A1 LYS 1180 HA -0.05 0.16 0.79 -0.75 4.32 4.47 3mv3A1 LYS 1180 HB2 -0.14 0.02 -0.19 -0.04 1.87 1.53 3mv3A1 LYS 1180 HB3 -0.08 -0.04 0.03 -0.04 1.79 1.66 3mv3A1 LYS 1180 HG2 -0.05 -0.01 -0.08 -0.04 1.46 1.29 3mv3A1 LYS 1180 HG3 -0.06 0.26 -0.27 -0.04 1.46 1.35 3mv3A1 LYS 1180 HD2 -0.09 -0.06 -0.09 -0.04 1.69 1.41 3mv3A1 LYS 1180 HD3 -0.07 -0.02 -0.05 -0.04 1.68 1.50 3mv3A1 LYS 1180 HE2 -0.03 -0.02 -0.04 -0.04 2.99 2.86 3mv3A1 LYS 1180 HE3 -0.04 0.11 -0.02 -0.04 2.99 3.00 3mv3A1 ILE 1181 H -0.05 0.11 0.07 -0.55 8.25 7.83 3mv3A1 ILE 1181 HA -0.03 0.22 0.47 -0.75 4.18 4.09 3mv3A1 ILE 1181 HB -0.01 0.09 -0.18 -0.04 1.89 1.75 3mv3A1 ILE 1181 HG12 -0.01 0.01 -0.01 -0.04 1.49 1.44 3mv3A1 ILE 1181 HG13 -0.02 -0.03 0.06 -0.04 1.21 1.17 3mv3A1 ILE 1181 HG23 0.00 0.01 -0.12 -0.04 0.93 0.78 3mv3A1 ILE 1181 HD13 -0.04 -0.02 0.05 -0.04 0.88 0.83 3mv3A1 ASP 1182 H -0.01 0.49 0.20 -0.55 8.40 8.53 3mv3A1 ASP 1182 HA -0.15 0.06 0.36 -0.75 4.63 4.14 3mv3A1 ASP 1182 HB2 0.22 -0.08 0.07 -0.04 2.71 2.88 3mv3A1 ASP 1182 HB3 0.06 0.09 0.09 -0.04 2.70 2.90 3mv3A1 ARG 1183 H 0.17 0.12 0.10 -0.55 8.46 8.29 3mv3A1 ARG 1183 HA 0.07 0.15 0.42 -0.75 4.34 4.23 3mv3A1 ARG 1183 HB2 0.22 0.12 0.10 -0.04 1.90 2.31 3mv3A1 ARG 1183 HB3 0.12 0.00 0.16 -0.04 1.80 2.04 3mv3A1 ARG 1183 HG2 0.13 -0.12 0.03 -0.04 1.67 1.67 3mv3A1 ARG 1183 HG3 0.06 0.04 0.14 -0.04 1.67 1.87 3mv3A1 ARG 1183 HD2 0.02 0.01 -0.09 -0.04 3.22 3.12 3mv3A1 ARG 1183 HD3 -0.04 0.11 -0.16 -0.04 3.22 3.09 3mv3A1 ILE 1184 H 0.14 -0.07 -0.36 -0.55 8.25 7.41 3mv3A1 ILE 1184 HA 0.08 0.19 0.59 -0.75 4.18 4.28 3mv3A1 ILE 1184 HB 0.08 -0.12 0.14 -0.04 1.89 1.94 3mv3A1 ILE 1184 HG12 0.08 -0.04 -0.04 -0.04 1.49 1.45 3mv3A1 ILE 1184 HG13 0.02 -0.02 0.03 -0.04 1.21 1.19 3mv3A1 ILE 1184 HG23 0.01 0.02 -0.12 -0.04 0.93 0.79 3mv3A1 ILE 1184 HD13 0.03 0.03 -0.02 -0.04 0.88 0.89 3mv3A1 ALA 1185 H 0.06 0.08 0.00 -0.55 8.40 8.00 3mv3A1 ALA 1185 HA 0.03 0.22 0.64 -0.75 4.34 4.47 3mv3A1 ALA 1185 HB3 -0.05 -0.01 0.02 -0.04 1.41 1.34 3mv3A1 ILE 1187 HA 0.06 -0.05 0.41 -0.75 4.18 3.85 3mv3A1 ILE 1187 HB 0.14 0.03 -0.31 -0.04 1.89 1.71 3mv3A1 ILE 1187 HG12 0.42 -0.07 -0.29 -0.04 1.49 1.51 3mv3A1 ILE 1187 HG13 0.41 0.00 -0.18 -0.04 1.21 1.40 3mv3A1 ILE 1187 HG23 0.07 0.00 -0.25 -0.04 0.93 0.72 3mv3A1 ILE 1187 HD13 -0.09 -0.00 -0.09 -0.04 0.88 0.65 3mv3A1 SER 1188 H 0.06 0.19 0.38 -0.55 8.46 8.54 3mv3A1 SER 1188 HA 0.03 0.06 1.19 -0.75 4.49 5.01 3mv3A1 SER 1188 HB2 0.03 0.36 0.16 -0.04 3.95 4.46 3mv3A1 SER 1188 HB3 0.04 -0.07 -0.09 -0.04 3.93 3.77 3mv3A1 LYS 1189 H 0.02 0.58 0.25 -0.55 8.42 8.70 3mv3A1 LYS 1189 HA -0.01 0.13 0.50 -0.75 4.32 4.19 3mv3A1 LYS 1189 HB2 0.00 -0.02 -0.02 -0.04 1.87 1.78 3mv3A1 LYS 1189 HB3 0.01 0.01 0.10 -0.04 1.79 1.86 3mv3A1 LYS 1189 HG2 -0.01 -0.04 -0.23 -0.04 1.46 1.14 3mv3A1 LYS 1189 HG3 -0.02 0.03 -0.29 -0.04 1.46 1.14 3mv3A1 LYS 1189 HD2 -0.01 0.05 0.01 -0.04 1.69 1.70 3mv3A1 LYS 1189 HD3 -0.00 -0.01 -0.06 -0.04 1.68 1.57 3mv3A1 LYS 1189 HE2 0.00 0.03 -0.01 -0.04 2.99 2.97 3mv3A1 LYS 1189 HE3 0.00 -0.09 -0.00 -0.04 2.99 2.86 3mv3A1 ILE 1190 H -0.05 0.92 0.30 -0.55 8.25 8.87 3mv3A1 ILE 1190 HA 0.02 0.04 0.48 -0.75 4.18 3.96 3mv3A1 ILE 1190 HB -0.12 -0.16 0.08 -0.04 1.89 1.65 3mv3A1 ILE 1190 HG12 -0.12 -0.13 -0.09 -0.04 1.49 1.11 3mv3A1 ILE 1190 HG13 -0.16 0.31 -0.14 -0.04 1.21 1.19 3mv3A1 ILE 1190 HG23 -0.01 0.01 -0.22 -0.04 0.93 0.67 3mv3A1 ILE 1190 HD13 -0.88 -0.03 -0.22 -0.04 0.88 -0.29 3mv3A1 GLY 1191 H 0.04 0.51 0.28 -0.55 8.43 8.71 3mv3A1 GLY 1191 HA2 0.03 -0.03 0.44 -0.51 4.01 3.94 3mv3A1 GLY 1191 HA3 0.01 -0.02 0.77 -0.51 4.01 4.26 3mv3A1 ALA 1192 H 0.01 0.15 -0.49 -0.55 8.40 7.51 3mv3A1 ALA 1192 HA 0.01 -0.01 0.33 -0.75 4.34 3.92 3mv3A1 ALA 1192 HB3 0.01 0.02 0.02 -0.04 1.41 1.43 3mv3A1 PRO 1193 HA 0.02 0.12 0.77 -0.51 4.44 4.84 3mv3A1 PRO 1193 HB2 0.01 0.03 -0.03 -0.04 2.28 2.26 3mv3A1 PRO 1193 HB3 0.01 0.02 0.07 -0.04 2.02 2.09 3mv3A1 PRO 1193 HG2 0.01 0.02 0.14 -0.04 2.03 2.16 3mv3A1 PRO 1193 HG3 0.01 -0.02 0.07 -0.04 2.03 2.06 3mv3A1 PRO 1193 HD2 0.01 0.04 0.23 -0.04 3.68 3.93 3mv3A1 PRO 1193 HD3 0.01 0.10 0.16 -0.04 3.65 3.88 3mv3A1 ALA 1194 H 0.02 0.18 0.14 -0.55 8.40 8.19 3mv3A1 ALA 1194 HA 0.02 0.34 0.88 -0.75 4.34 4.83 3mv3A1 ALA 1194 HB3 0.03 -0.01 -0.45 -0.04 1.41 0.94 3mv3A1 SER 1195 H 0.02 0.86 0.51 -0.55 8.46 9.31 3mv3A1 SER 1195 HA 0.02 0.04 0.55 -0.75 4.49 4.34 3mv3A1 SER 1195 HB2 0.02 -0.07 0.14 -0.04 3.95 3.99 3mv3A1 SER 1195 HB3 0.02 0.01 0.14 -0.04 3.93 4.06 3mv3A1 GLY 1196 H 0.03 0.08 -0.11 -0.55 8.43 7.88 3mv3A1 GLY 1196 HA2 0.04 0.00 0.36 -0.51 4.01 3.90 3mv3A1 GLY 1196 HA3 0.03 0.16 0.88 -0.51 4.01 4.57 3mv3A1 LEU 1197 H 0.07 0.13 0.16 -0.55 8.37 8.18 3mv3A1 LEU 1197 HA 0.02 -0.00 0.40 -0.75 4.35 4.02 3mv3A1 LEU 1197 HB2 0.03 0.05 0.11 -0.04 1.64 1.79 3mv3A1 LEU 1197 HB3 0.09 -0.04 0.19 -0.04 1.64 1.85 3mv3A1 LEU 1197 HG -0.02 -0.06 -0.54 -0.04 1.64 0.98 3mv3A1 LEU 1197 HD13 -0.02 0.02 -0.04 -0.04 0.93 0.84 3mv3A1 LEU 1197 HD23 -0.19 -0.01 -0.10 -0.04 0.89 0.55 3mv3A1 ARG 1198 H 0.01 0.13 0.23 -0.55 8.46 8.28 3mv3A1 ARG 1198 HA 0.02 0.06 0.79 -0.75 4.34 4.46 3mv3A1 ARG 1198 HB2 0.01 -0.03 0.16 -0.04 1.90 2.00 3mv3A1 ARG 1198 HB3 0.01 0.00 -0.03 -0.04 1.80 1.74 3mv3A1 ARG 1198 HG2 0.02 -0.02 -0.04 -0.04 1.67 1.59 3mv3A1 ARG 1198 HG3 0.02 0.16 -0.02 -0.04 1.67 1.79 3mv3A1 ARG 1198 HD2 0.01 -0.02 -0.00 -0.04 3.22 3.17 3mv3A1 ARG 1198 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.15 3mv3A1 ILE 1199 H 0.01 -0.12 0.24 -0.55 8.25 7.83 3mv3A1 ILE 1199 HA -0.03 0.27 0.77 -0.75 4.18 4.43 3mv3A1 ILE 1199 HB -0.02 -0.11 -0.09 -0.04 1.89 1.62 3mv3A1 ILE 1199 HG12 -0.06 0.24 -0.13 -0.04 1.49 1.50 3mv3A1 ILE 1199 HG13 -0.04 -0.09 -0.87 -0.04 1.21 0.17 3mv3A1 ILE 1199 HG23 -0.05 0.04 -0.46 -0.04 0.93 0.42 3mv3A1 ILE 1199 HD13 -0.12 -0.04 -0.18 -0.04 0.88 0.50 3mv3A1 ARG 1200 H 0.01 -0.09 0.19 -0.55 8.46 8.02 3mv3A1 ARG 1200 HA -0.00 0.21 0.55 -0.75 4.34 4.34 3mv3A1 ARG 1200 HB2 0.02 -0.06 0.10 -0.04 1.90 1.91 3mv3A1 ARG 1200 HB3 0.01 -0.02 0.09 -0.04 1.80 1.84 3mv3A1 ARG 1200 HG2 0.01 0.12 -0.10 -0.04 1.67 1.66 3mv3A1 ARG 1200 HG3 0.01 -0.01 -0.20 -0.04 1.67 1.43 3mv3A1 ARG 1200 HD2 0.01 -0.06 0.02 -0.04 3.22 3.16 3mv3A1 ARG 1200 HD3 0.01 0.03 -0.02 -0.04 3.22 3.20 3mv3A1 VAL 1201 H 0.00 0.54 0.20 -0.55 8.24 8.44 3mv3A1 VAL 1201 HA -0.00 0.10 0.15 -0.75 4.13 3.62 3mv3A1 VAL 1201 HB 0.02 -0.03 0.12 -0.04 2.12 2.18 3mv3A1 VAL 1201 HG13 0.01 -0.01 -0.01 -0.04 0.97 0.92 3mv3A1 VAL 1201 HG23 0.01 0.11 -0.01 -0.04 0.95 1.02