============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 7 1.000 77.538 30.281 35.395 -99.200 -91.000 PHE 15 1.000 73.783 22.924 39.121 -99.200 -91.000 PHE 16 1.000 72.028 27.621 38.467 -99.200 -91.000 HIS 25 0.900 91.533 25.375 39.712 -99.200 -91.000 HIS 30 0.900 93.142 28.239 28.542 -99.200 -91.000 HIS 31 0.900 97.329 34.265 32.124 -99.200 -91.000 HIS 33 0.900 90.821 37.028 35.401 -99.200 -91.000 PHE 53 1.000 77.735 40.679 31.602 -99.200 -91.000 PHE 70 1.000 68.217 33.589 24.324 -99.200 -91.000 TRP 76 1.040 72.258 40.174 21.780 -99.200 -91.000 TRP6 76 1.020 70.454 39.076 22.847 -99.200 -91.000 TYR 105 0.840 63.662 5.025 36.252 -99.200 -91.000 TYR 138 0.840 55.928 11.978 40.116 -99.200 -91.000 PHE 145 1.000 58.323 0.920 42.148 -99.200 -91.000 HIS 155 0.900 51.564 20.953 44.956 -99.200 -91.000 TYR 156 0.840 54.018 21.858 37.189 -99.200 -91.000 TYR 168 0.840 54.959 31.483 49.979 -99.200 -91.000 TYR 171 0.840 55.534 27.537 54.174 -99.200 -91.000 HIS 190 0.900 70.114 23.896 48.646 -99.200 -91.000 PHE 216 1.000 66.490 16.058 41.280 -99.200 -91.000 TYR 220 0.840 80.555 21.020 51.968 -99.200 -91.000 TRP 221 1.040 72.800 24.708 54.674 -99.200 -91.000 TRP6 221 1.020 73.097 25.281 56.964 -99.200 -91.000 TYR 225 0.840 67.379 19.358 57.967 -99.200 -91.000 TYR 248 0.840 91.273 28.335 25.365 -99.200 -91.000 PHE 273 1.000 57.939 6.040 55.532 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qu7A1 ARG 63 HA 0.03 0.29 0.36 -0.75 4.34 4.26 2qu7A1 ARG 63 HB2 0.02 -0.08 0.08 -0.04 1.90 1.88 2qu7A1 ARG 63 HB3 0.02 -0.10 0.11 -0.04 1.80 1.78 2qu7A1 ARG 63 HG2 0.01 -0.05 0.02 -0.04 1.67 1.61 2qu7A1 ARG 63 HG3 0.02 0.03 -0.15 -0.04 1.67 1.52 2qu7A1 ARG 63 HD2 0.02 0.07 0.01 -0.04 3.22 3.27 2qu7A1 ARG 63 HD3 0.03 0.22 -0.23 -0.04 3.22 3.19 2qu7A1 SER 64 H 0.04 0.53 0.21 -0.55 8.46 8.70 2qu7A1 SER 64 HA 0.04 0.08 0.57 -0.75 4.49 4.42 2qu7A1 SER 64 HB2 0.05 -0.13 0.13 -0.04 3.95 3.95 2qu7A1 SER 64 HB3 0.04 0.12 0.11 -0.04 3.93 4.16 2qu7A1 ASN 65 H 0.06 0.10 0.17 -0.55 8.53 8.32 2qu7A1 ASN 65 HA 0.04 0.21 0.51 -0.75 4.76 4.76 2qu7A1 ASN 65 HB2 0.04 0.23 0.36 -0.04 2.88 3.46 2qu7A1 ASN 65 HB3 0.06 0.03 0.19 -0.04 2.79 3.03 2qu7A1 ASN 65 HD21 0.21 -0.09 0.03 -0.04 7.03 7.14 2qu7A1 ASN 65 HD22 0.14 0.11 0.11 -0.04 7.74 8.06 2qu7A1 ILE 66 H 0.04 0.15 -0.67 -0.55 8.25 7.22 2qu7A1 ILE 66 HA 0.05 0.31 0.99 -0.75 4.18 4.77 2qu7A1 ILE 66 HB 0.04 -0.02 0.04 -0.04 1.89 1.91 2qu7A1 ILE 66 HG12 0.06 0.01 -0.06 -0.04 1.49 1.45 2qu7A1 ILE 66 HG13 0.10 -0.01 -0.19 -0.04 1.21 1.07 2qu7A1 ILE 66 HG23 -0.05 -0.01 -0.20 -0.04 0.93 0.62 2qu7A1 ILE 66 HD13 0.06 -0.01 -0.06 -0.04 0.88 0.83 2qu7A1 ILE 67 H -0.01 0.77 0.27 -0.55 8.25 8.72 2qu7A1 ILE 67 HA -0.06 0.24 0.83 -0.75 4.18 4.43 2qu7A1 ILE 67 HB -0.04 -0.11 -0.12 -0.04 1.89 1.59 2qu7A1 ILE 67 HG12 -0.01 0.07 -0.18 -0.04 1.49 1.33 2qu7A1 ILE 67 HG13 -0.01 0.01 -0.38 -0.04 1.21 0.78 2qu7A1 ILE 67 HG23 -0.04 -0.02 -0.32 -0.04 0.93 0.51 2qu7A1 ILE 67 HD13 -0.01 -0.00 -0.22 -0.04 0.88 0.61 2qu7A1 ALA 68 H -0.17 0.72 0.28 -0.55 8.40 8.68 2qu7A1 ALA 68 HA -0.35 0.26 1.03 -0.75 4.34 4.52 2qu7A1 ALA 68 HB3 -0.95 -0.01 0.04 -0.04 1.41 0.45 2qu7A1 PHE 69 H -0.03 0.79 0.35 -0.55 8.34 8.90 2qu7A1 PHE 69 HA -0.10 0.26 0.91 -0.75 4.62 4.93 2qu7A1 PHE 69 HB2 -0.07 0.03 -0.09 -0.04 3.15 2.98 2qu7A1 PHE 69 HB3 -0.07 -0.05 0.07 -0.04 3.06 2.97 2qu7A1 PHE 69 HD2 -0.04 0.08 -0.05 -0.04 7.28 7.23 2qu7A1 PHE 69 HE2 0.03 0.04 -0.12 -0.04 7.38 7.29 2qu7A1 PHE 69 HZ 0.14 -0.09 -0.09 -0.04 7.32 7.24 2qu7A1 ILE 70 H -0.11 0.69 0.27 -0.55 8.25 8.55 2qu7A1 ILE 70 HA -0.17 0.29 0.96 -0.75 4.18 4.50 2qu7A1 ILE 70 HB -0.12 -0.04 0.19 -0.04 1.89 1.88 2qu7A1 ILE 70 HG12 0.11 0.01 -0.11 -0.04 1.49 1.45 2qu7A1 ILE 70 HG13 -0.06 -0.02 -0.30 -0.04 1.21 0.79 2qu7A1 ILE 70 HG23 -0.10 -0.01 -0.10 -0.04 0.93 0.68 2qu7A1 ILE 70 HD13 0.05 0.02 -0.14 -0.04 0.88 0.77 2qu7A1 VAL 71 H -0.33 0.59 0.40 -0.55 8.24 8.35 2qu7A1 VAL 71 HA -0.67 0.21 0.93 -0.75 4.13 3.84 2qu7A1 VAL 71 HB -0.81 -0.07 0.12 -0.04 2.12 1.32 2qu7A1 VAL 71 HG13 -1.06 0.03 -0.22 -0.04 0.97 -0.32 2qu7A1 VAL 71 HG23 -0.24 0.00 -0.11 -0.04 0.95 0.57 2qu7A1 PRO 72 HA -0.16 -0.00 0.66 -0.51 4.44 4.43 2qu7A1 PRO 72 HB2 -0.07 -0.04 0.02 -0.04 2.28 2.14 2qu7A1 PRO 72 HB3 -0.13 0.18 0.01 -0.04 2.02 2.04 2qu7A1 PRO 72 HG2 -0.19 -0.08 0.07 -0.04 2.03 1.79 2qu7A1 PRO 72 HG3 -0.18 0.16 0.02 -0.04 2.03 1.99 2qu7A1 PRO 72 HD2 -1.52 0.03 0.25 -0.04 3.68 2.40 2qu7A1 PRO 72 HD3 -0.73 0.26 0.29 -0.04 3.65 3.43 2qu7A1 ASP 73 H -0.25 0.31 0.06 -0.55 8.40 7.97 2qu7A1 ASP 73 HA -0.01 0.12 0.63 -0.75 4.63 4.61 2qu7A1 ASP 73 HB2 0.08 -0.12 0.09 -0.04 2.71 2.71 2qu7A1 ASP 73 HB3 0.04 0.13 -0.21 -0.04 2.70 2.61 2qu7A1 GLN 74 H 0.08 0.12 0.10 -0.55 8.47 8.22 2qu7A1 GLN 74 HA 0.11 0.28 0.84 -0.75 4.36 4.84 2qu7A1 GLN 74 HB2 0.07 0.09 0.14 -0.04 2.15 2.41 2qu7A1 GLN 74 HB3 0.05 0.04 -0.01 -0.04 2.02 2.06 2qu7A1 GLN 74 HG2 0.07 -0.16 0.10 -0.04 2.40 2.36 2qu7A1 GLN 74 HG3 0.08 0.05 0.07 -0.04 2.39 2.55 2qu7A1 GLN 74 HE21 0.03 0.11 0.03 -0.04 6.97 7.10 2qu7A1 GLN 74 HE22 0.03 -0.18 0.07 -0.04 7.69 7.58 2qu7A1 ASN 75 H 0.28 0.04 -0.37 -0.55 8.53 7.94 2qu7A1 ASN 75 HA 0.15 0.18 0.63 -0.75 4.76 4.96 2qu7A1 ASN 75 HB2 0.23 0.00 0.10 -0.04 2.88 3.17 2qu7A1 ASN 75 HB3 0.34 0.02 0.12 -0.04 2.79 3.23 2qu7A1 ASN 75 HD21 -0.01 -0.02 0.09 -0.04 7.03 7.04 2qu7A1 ASN 75 HD22 0.06 0.07 0.06 -0.04 7.74 7.89 2qu7A1 PRO 76 HA 0.03 0.08 0.39 -0.51 4.44 4.43 2qu7A1 PRO 76 HB2 -0.12 0.08 -0.01 -0.04 2.28 2.20 2qu7A1 PRO 76 HB3 -0.05 0.09 0.15 -0.04 2.02 2.17 2qu7A1 PRO 76 HG2 -0.51 0.01 0.09 -0.04 2.03 1.59 2qu7A1 PRO 76 HG3 -0.51 0.09 0.11 -0.04 2.03 1.68 2qu7A1 PRO 76 HD2 0.01 -0.03 0.31 -0.04 3.68 3.92 2qu7A1 PRO 76 HD3 0.03 0.30 0.26 -0.04 3.65 4.20 2qu7A1 PHE 77 H 0.04 0.00 -0.53 -0.55 8.34 7.30 2qu7A1 PHE 77 HA -0.15 0.10 0.44 -0.75 4.62 4.25 2qu7A1 PHE 77 HB2 -0.21 -0.01 0.09 -0.04 3.15 2.98 2qu7A1 PHE 77 HB3 -0.52 -0.06 0.04 -0.04 3.06 2.48 2qu7A1 PHE 77 HD2 -0.98 -0.03 -0.04 -0.04 7.28 6.19 2qu7A1 PHE 77 HE2 -0.10 0.01 -0.10 -0.04 7.38 7.16 2qu7A1 PHE 77 HZ -0.02 0.04 -0.08 -0.04 7.32 7.22 2qu7A1 PHE 78 H 0.02 0.52 -0.15 -0.55 8.34 8.17 2qu7A1 PHE 78 HA -0.13 0.09 0.36 -0.75 4.62 4.19 2qu7A1 PHE 78 HB2 0.03 0.10 0.11 -0.04 3.15 3.35 2qu7A1 PHE 78 HB3 -0.01 0.06 -0.01 -0.04 3.06 3.05 2qu7A1 PHE 78 HD2 0.13 0.05 0.02 -0.04 7.28 7.44 2qu7A1 PHE 78 HE2 0.21 -0.01 -0.01 -0.04 7.38 7.53 2qu7A1 PHE 78 HZ 0.13 0.03 0.01 -0.04 7.32 7.45 2qu7A1 THR 79 H 0.14 0.16 -0.07 -0.55 8.28 7.96 2qu7A1 THR 79 HA 0.12 0.10 0.53 -0.75 4.39 4.39 2qu7A1 THR 79 HB 0.05 0.06 0.04 -0.04 4.32 4.42 2qu7A1 THR 79 HG23 0.08 0.01 -0.01 -0.04 1.22 1.27 2qu7A1 GLU 80 H -0.05 0.54 -0.20 -0.55 8.60 8.34 2qu7A1 GLU 80 HA -0.05 0.06 0.41 -0.75 4.29 3.95 2qu7A1 GLU 80 HB2 -0.14 0.10 0.14 -0.04 2.09 2.15 2qu7A1 GLU 80 HB3 -0.11 -0.06 -0.04 -0.04 1.99 1.74 2qu7A1 GLU 80 HG2 -0.06 0.00 0.01 -0.04 2.34 2.25 2qu7A1 GLU 80 HG3 -0.06 0.08 0.05 -0.04 2.34 2.36 2qu7A1 VAL 81 H -0.22 0.38 -0.17 -0.55 8.24 7.68 2qu7A1 VAL 81 HA -0.17 0.07 0.52 -0.75 4.13 3.79 2qu7A1 VAL 81 HB -0.15 0.08 0.11 -0.04 2.12 2.12 2qu7A1 VAL 81 HG13 -0.19 -0.00 -0.14 -0.04 0.97 0.60 2qu7A1 VAL 81 HG23 -0.64 0.05 0.04 -0.04 0.95 0.37 2qu7A1 LEU 82 H 0.03 0.55 -0.14 -0.55 8.37 8.26 2qu7A1 LEU 82 HA -0.25 0.01 0.36 -0.75 4.35 3.72 2qu7A1 LEU 82 HB2 0.32 -0.02 0.07 -0.04 1.64 1.97 2qu7A1 LEU 82 HB3 0.11 0.08 0.26 -0.04 1.64 2.04 2qu7A1 LEU 82 HG 0.03 0.04 -0.33 -0.04 1.64 1.34 2qu7A1 LEU 82 HD13 0.08 0.00 -0.10 -0.04 0.93 0.87 2qu7A1 LEU 82 HD23 0.11 -0.01 -0.03 -0.04 0.89 0.92 2qu7A1 THR 83 H -0.02 0.53 -0.12 -0.55 8.28 8.11 2qu7A1 THR 83 HA -0.00 0.03 0.37 -0.75 4.39 4.04 2qu7A1 THR 83 HB -0.03 0.08 0.10 -0.04 4.32 4.42 2qu7A1 THR 83 HG23 -0.01 -0.00 -0.03 -0.04 1.22 1.13 2qu7A1 GLU 84 H -0.07 0.30 -0.33 -0.55 8.60 7.95 2qu7A1 GLU 84 HA -0.03 0.04 0.46 -0.75 4.29 4.00 2qu7A1 GLU 84 HB2 -0.09 0.13 0.20 -0.04 2.09 2.29 2qu7A1 GLU 84 HB3 -0.06 -0.05 0.05 -0.04 1.99 1.89 2qu7A1 GLU 84 HG2 -0.07 0.08 0.02 -0.04 2.34 2.32 2qu7A1 GLU 84 HG3 -0.07 -0.13 -0.07 -0.04 2.34 2.03 2qu7A1 ILE 85 H -0.12 0.53 -0.03 -0.55 8.25 8.07 2qu7A1 ILE 85 HA -0.09 0.14 0.45 -0.75 4.18 3.93 2qu7A1 ILE 85 HB -0.25 0.05 0.13 -0.04 1.89 1.78 2qu7A1 ILE 85 HG12 -0.19 0.05 0.05 -0.04 1.49 1.35 2qu7A1 ILE 85 HG13 -0.22 0.01 0.07 -0.04 1.21 1.03 2qu7A1 ILE 85 HG23 -0.17 -0.01 -0.17 -0.04 0.93 0.54 2qu7A1 ILE 85 HD13 -0.63 -0.04 -0.16 -0.04 0.88 0.01 2qu7A1 SER 86 H -0.06 0.74 -0.02 -0.55 8.46 8.56 2qu7A1 SER 86 HA -0.04 -0.01 0.43 -0.75 4.49 4.12 2qu7A1 SER 86 HB2 0.00 0.10 0.17 -0.04 3.95 4.18 2qu7A1 SER 86 HB3 0.01 -0.02 0.03 -0.04 3.93 3.91 2qu7A1 HIS 87 H 0.07 0.49 -0.15 -0.55 8.41 8.27 2qu7A1 HIS 87 HA -0.06 0.01 0.33 -0.75 4.63 4.16 2qu7A1 HIS 87 HB2 -0.05 0.01 0.12 -0.04 3.26 3.31 2qu7A1 HIS 87 HB3 -0.06 0.06 0.14 -0.04 3.20 3.31 2qu7A1 HIS 87 HD2 -0.06 0.00 -0.16 -0.04 6.97 6.71 2qu7A1 HIS 87 HE1 -0.04 -0.01 -0.01 -0.04 7.75 7.64 2qu7A1 GLU 88 H 0.01 0.38 -0.18 -0.55 8.60 8.27 2qu7A1 GLU 88 HA -0.15 0.04 0.56 -0.75 4.29 4.00 2qu7A1 GLU 88 HB2 0.00 -0.06 0.12 -0.04 2.09 2.12 2qu7A1 GLU 88 HB3 -0.03 0.09 0.17 -0.04 1.99 2.18 2qu7A1 GLU 88 HG2 -0.01 0.03 0.01 -0.04 2.34 2.32 2qu7A1 GLU 88 HG3 -0.05 0.04 -0.18 -0.04 2.34 2.11 2qu7A1 CYS 89 H -0.08 0.59 0.00 -0.55 8.50 8.47 2qu7A1 CYS 89 HA -0.01 0.03 0.30 -0.75 4.58 4.15 2qu7A1 CYS 89 HB2 -0.07 0.02 0.07 -0.04 2.97 2.96 2qu7A1 CYS 89 HB3 -0.06 0.02 -0.11 -0.04 2.97 2.78 2qu7A1 GLN 90 H -0.16 0.50 -0.16 -0.55 8.47 8.10 2qu7A1 GLN 90 HA -0.28 0.04 0.56 -0.75 4.36 3.93 2qu7A1 GLN 90 HB2 -0.14 -0.09 0.10 -0.04 2.15 1.98 2qu7A1 GLN 90 HB3 -0.10 0.02 0.12 -0.04 2.02 2.03 2qu7A1 GLN 90 HG2 -0.22 0.28 0.10 -0.04 2.40 2.52 2qu7A1 GLN 90 HG3 -0.24 -0.04 -0.14 -0.04 2.39 1.93 2qu7A1 GLN 90 HE21 -0.03 -0.09 -0.03 -0.04 6.97 6.78 2qu7A1 GLN 90 HE22 -0.24 0.06 0.01 -0.04 7.69 7.48 2qu7A1 LYS 91 H -0.34 0.45 -0.40 -0.55 8.42 7.58 2qu7A1 LYS 91 HA -0.38 0.01 0.55 -0.75 4.32 3.75 2qu7A1 LYS 91 HB2 -0.66 0.18 0.12 -0.04 1.87 1.46 2qu7A1 LYS 91 HB3 -0.48 -0.08 0.09 -0.04 1.79 1.28 2qu7A1 LYS 91 HG2 -0.30 -0.08 0.08 -0.04 1.46 1.11 2qu7A1 LYS 91 HG3 -0.35 0.17 0.17 -0.04 1.46 1.41 2qu7A1 LYS 91 HD2 -0.24 0.03 0.09 -0.04 1.69 1.54 2qu7A1 LYS 91 HD3 -0.23 -0.05 0.04 -0.04 1.68 1.40 2qu7A1 LYS 91 HE2 -0.16 -0.04 0.01 -0.04 2.99 2.76 2qu7A1 LYS 91 HE3 -0.23 0.04 -0.01 -0.04 2.99 2.75 2qu7A1 HIS 92 H -0.32 0.44 -0.39 -0.55 8.41 7.60 2qu7A1 HIS 92 HA -0.08 0.15 0.78 -0.75 4.63 4.73 2qu7A1 HIS 92 HB2 -0.18 0.11 0.09 -0.04 3.26 3.25 2qu7A1 HIS 92 HB3 -0.07 -0.01 0.15 -0.04 3.20 3.22 2qu7A1 HIS 92 HD2 -0.44 0.01 -0.02 -0.04 6.97 6.47 2qu7A1 HIS 92 HE1 -0.38 -0.04 -0.06 -0.04 7.75 7.23 2qu7A1 HIS 93 H -0.48 0.42 -0.38 -0.55 8.41 7.44 2qu7A1 HIS 93 HA -0.18 -0.00 0.30 -0.75 4.63 3.99 2qu7A1 HIS 93 HB2 -0.02 0.17 -0.01 -0.04 3.26 3.36 2qu7A1 HIS 93 HB3 -0.02 -0.08 0.17 -0.04 3.20 3.23 2qu7A1 HIS 93 HD2 -0.02 0.03 -0.27 -0.04 6.97 6.66 2qu7A1 HIS 93 HE1 -0.02 -0.07 0.00 -0.04 7.75 7.62 2qu7A1 LEU 94 H -0.18 0.29 -0.23 -0.55 8.37 7.69 2qu7A1 LEU 94 HA -0.15 0.31 0.96 -0.75 4.35 4.71 2qu7A1 LEU 94 HB2 -0.04 -0.03 -0.05 -0.04 1.64 1.47 2qu7A1 LEU 94 HB3 -0.03 -0.05 -0.15 -0.04 1.64 1.37 2qu7A1 LEU 94 HG 0.06 0.16 -0.24 -0.04 1.64 1.57 2qu7A1 LEU 94 HD13 0.12 -0.02 -0.08 -0.04 0.93 0.91 2qu7A1 LEU 94 HD23 0.03 0.01 -0.06 -0.04 0.89 0.83 2qu7A1 HIS 95 H -0.05 0.79 0.34 -0.55 8.41 8.94 2qu7A1 HIS 95 HA -0.02 0.13 0.93 -0.75 4.63 4.92 2qu7A1 HIS 95 HB2 0.00 -0.03 -0.01 -0.04 3.26 3.19 2qu7A1 HIS 95 HB3 -0.01 -0.02 -0.06 -0.04 3.20 3.08 2qu7A1 HIS 95 HD2 0.02 0.02 -0.06 -0.04 6.97 6.91 2qu7A1 HIS 95 HE1 -0.01 -0.01 -0.08 -0.04 7.75 7.60 2qu7A1 VAL 96 H 0.05 0.16 0.16 -0.55 8.24 8.06 2qu7A1 VAL 96 HA -0.01 0.30 0.73 -0.75 4.13 4.39 2qu7A1 VAL 96 HB -0.00 -0.06 0.09 -0.04 2.12 2.11 2qu7A1 VAL 96 HG13 -0.02 -0.02 -0.19 -0.04 0.97 0.70 2qu7A1 VAL 96 HG23 -0.06 0.01 -0.17 -0.04 0.95 0.69 2qu7A1 ALA 97 H -0.04 0.73 0.41 -0.55 8.40 8.95 2qu7A1 ALA 97 HA 0.03 0.10 0.82 -0.75 4.34 4.53 2qu7A1 ALA 97 HB3 -0.01 0.02 0.03 -0.04 1.41 1.41 2qu7A1 VAL 98 H 0.04 0.18 0.18 -0.55 8.24 8.10 2qu7A1 VAL 98 HA 0.02 0.35 0.96 -0.75 4.13 4.70 2qu7A1 VAL 98 HB 0.03 -0.04 0.01 -0.04 2.12 2.08 2qu7A1 VAL 98 HG13 -0.07 -0.02 -0.08 -0.04 0.97 0.76 2qu7A1 VAL 98 HG23 0.14 0.00 -0.09 -0.04 0.95 0.97 2qu7A1 ALA 99 H -0.05 0.60 0.39 -0.55 8.40 8.80 2qu7A1 ALA 99 HA 0.03 0.09 0.51 -0.75 4.34 4.21 2qu7A1 ALA 99 HB3 0.17 0.04 0.01 -0.04 1.41 1.58 2qu7A1 SER 100 H -0.02 0.22 0.14 -0.55 8.46 8.25 2qu7A1 SER 100 HA -0.13 0.34 1.02 -0.75 4.49 4.97 2qu7A1 SER 100 HB2 -0.06 0.03 -0.08 -0.04 3.95 3.79 2qu7A1 SER 100 HB3 -0.03 0.05 0.06 -0.04 3.93 3.96 2qu7A1 SER 101 H -0.11 0.54 0.29 -0.55 8.46 8.63 2qu7A1 SER 101 HA -0.03 0.21 0.67 -0.75 4.49 4.58 2qu7A1 SER 101 HB2 -0.03 0.11 0.10 -0.04 3.95 4.09 2qu7A1 SER 101 HB3 -0.05 0.08 -0.02 -0.04 3.93 3.89 2qu7A1 GLU 102 H -0.06 0.07 -0.22 -0.55 8.60 7.85 2qu7A1 GLU 102 HA -0.02 0.12 0.46 -0.75 4.29 4.10 2qu7A1 GLU 102 HB2 -0.01 0.15 -0.04 -0.04 2.09 2.15 2qu7A1 GLU 102 HB3 -0.00 -0.09 0.22 -0.04 1.99 2.08 2qu7A1 GLU 102 HG2 -0.02 0.04 -0.13 -0.04 2.34 2.19 2qu7A1 GLU 102 HG3 -0.01 0.09 -0.01 -0.04 2.34 2.37 2qu7A1 GLU 103 H -0.04 0.14 -0.08 -0.55 8.60 8.07 2qu7A1 GLU 103 HA -0.02 0.00 0.30 -0.75 4.29 3.82 2qu7A1 GLU 103 HB2 0.01 0.04 0.05 -0.04 2.09 2.15 2qu7A1 GLU 103 HB3 0.01 0.07 0.24 -0.04 1.99 2.27 2qu7A1 GLU 103 HG2 -0.00 0.05 0.04 -0.04 2.34 2.38 2qu7A1 GLU 103 HG3 0.01 -0.06 -0.17 -0.04 2.34 2.08 2qu7A1 ASN 104 H -0.01 0.55 -0.54 -0.55 8.53 7.98 2qu7A1 ASN 104 HA 0.01 0.13 0.86 -0.75 4.76 5.00 2qu7A1 ASN 104 HB2 0.00 0.13 0.07 -0.04 2.88 3.04 2qu7A1 ASN 104 HB3 -0.00 0.10 0.22 -0.04 2.79 3.07 2qu7A1 ASN 104 HD21 0.01 0.04 0.05 -0.04 7.03 7.08 2qu7A1 ASN 104 HD22 0.00 0.07 0.05 -0.04 7.74 7.83 2qu7A1 GLU 105 H 0.03 0.27 0.17 -0.55 8.60 8.53 2qu7A1 GLU 105 HA 0.05 0.06 0.43 -0.75 4.29 4.07 2qu7A1 GLU 105 HB2 0.06 0.04 0.07 -0.04 2.09 2.22 2qu7A1 GLU 105 HB3 0.06 0.05 0.08 -0.04 1.99 2.14 2qu7A1 GLU 105 HG2 0.11 0.04 -0.08 -0.04 2.34 2.37 2qu7A1 GLU 105 HG3 0.15 -0.07 0.12 -0.04 2.34 2.49 2qu7A1 ASP 106 H 0.03 0.11 -0.06 -0.55 8.40 7.93 2qu7A1 ASP 106 HA 0.06 0.15 0.57 -0.75 4.63 4.65 2qu7A1 ASP 106 HB2 0.02 -0.05 0.09 -0.04 2.71 2.73 2qu7A1 ASP 106 HB3 0.02 0.08 -0.02 -0.04 2.70 2.74 2qu7A1 LYS 107 H 0.02 0.07 -0.23 -0.55 8.42 7.72 2qu7A1 LYS 107 HA -0.00 0.09 0.38 -0.75 4.32 4.03 2qu7A1 LYS 107 HB2 -0.00 -0.02 0.12 -0.04 1.87 1.93 2qu7A1 LYS 107 HB3 -0.01 0.18 0.22 -0.04 1.79 2.14 2qu7A1 LYS 107 HG2 -0.02 0.06 0.07 -0.04 1.46 1.53 2qu7A1 LYS 107 HG3 -0.02 -0.05 -0.12 -0.04 1.46 1.22 2qu7A1 LYS 107 HD2 -0.03 -0.06 0.07 -0.04 1.69 1.64 2qu7A1 LYS 107 HD3 -0.02 -0.01 0.04 -0.04 1.68 1.66 2qu7A1 LYS 107 HE2 -0.02 0.00 0.02 -0.04 2.99 2.95 2qu7A1 LYS 107 HE3 -0.02 0.05 0.00 -0.04 2.99 2.98 2qu7A1 GLN 108 H 0.02 0.33 -0.26 -0.55 8.47 8.01 2qu7A1 GLN 108 HA -0.02 0.02 0.30 -0.75 4.36 3.91 2qu7A1 GLN 108 HB2 -0.01 -0.06 0.07 -0.04 2.15 2.11 2qu7A1 GLN 108 HB3 0.06 0.11 0.17 -0.04 2.02 2.32 2qu7A1 GLN 108 HG2 0.07 0.07 -0.26 -0.04 2.40 2.24 2qu7A1 GLN 108 HG3 -0.06 -0.00 -0.03 -0.04 2.39 2.26 2qu7A1 GLN 108 HE21 -0.05 -0.03 -0.00 -0.04 6.97 6.85 2qu7A1 GLN 108 HE22 0.24 0.10 -0.05 -0.04 7.69 7.94 2qu7A1 GLN 109 H 0.08 0.38 -0.26 -0.55 8.47 8.13 2qu7A1 GLN 109 HA 0.15 0.01 0.36 -0.75 4.36 4.13 2qu7A1 GLN 109 HB2 0.25 0.00 0.14 -0.04 2.15 2.51 2qu7A1 GLN 109 HB3 0.13 0.11 0.23 -0.04 2.02 2.45 2qu7A1 GLN 109 HG2 0.18 0.03 -0.11 -0.04 2.40 2.46 2qu7A1 GLN 109 HG3 0.43 -0.06 -0.02 -0.04 2.39 2.69 2qu7A1 GLN 109 HE21 0.04 0.01 0.01 -0.04 6.97 6.99 2qu7A1 GLN 109 HE22 0.11 0.01 -0.01 -0.04 7.69 7.76 2qu7A1 ASP 110 H 0.04 0.56 -0.05 -0.55 8.40 8.40 2qu7A1 ASP 110 HA 0.02 0.03 0.48 -0.75 4.63 4.40 2qu7A1 ASP 110 HB2 -0.02 0.10 0.14 -0.04 2.71 2.89 2qu7A1 ASP 110 HB3 -0.04 -0.00 -0.06 -0.04 2.70 2.55 2qu7A1 LEU 111 H -0.05 0.50 -0.24 -0.55 8.37 8.03 2qu7A1 LEU 111 HA -0.27 0.04 0.38 -0.75 4.35 3.73 2qu7A1 LEU 111 HB2 -0.03 0.11 0.12 -0.04 1.64 1.80 2qu7A1 LEU 111 HB3 0.05 -0.04 -0.06 -0.04 1.64 1.56 2qu7A1 LEU 111 HG -0.05 0.12 0.00 -0.04 1.64 1.67 2qu7A1 LEU 111 HD13 -0.00 -0.01 -0.32 -0.04 0.93 0.56 2qu7A1 LEU 111 HD23 -0.09 -0.01 -0.05 -0.04 0.89 0.71 2qu7A1 ILE 112 H -0.13 0.57 -0.03 -0.55 8.25 8.12 2qu7A1 ILE 112 HA -0.15 0.03 0.42 -0.75 4.18 3.73 2qu7A1 ILE 112 HB -0.64 0.07 0.18 -0.04 1.89 1.45 2qu7A1 ILE 112 HG12 -0.24 -0.00 -0.01 -0.04 1.49 1.20 2qu7A1 ILE 112 HG13 -0.16 0.12 0.06 -0.04 1.21 1.19 2qu7A1 ILE 112 HG23 -1.48 -0.00 -0.10 -0.04 0.93 -0.70 2qu7A1 ILE 112 HD13 -0.10 -0.03 -0.08 -0.04 0.88 0.62 2qu7A1 GLU 113 H -0.15 0.69 -0.05 -0.55 8.60 8.54 2qu7A1 GLU 113 HA 0.01 -0.02 0.39 -0.75 4.29 3.92 2qu7A1 GLU 113 HB2 0.08 0.14 0.20 -0.04 2.09 2.47 2qu7A1 GLU 113 HB3 0.06 0.01 -0.04 -0.04 1.99 1.98 2qu7A1 GLU 113 HG2 0.25 -0.00 0.03 -0.04 2.34 2.57 2qu7A1 GLU 113 HG3 0.65 -0.06 0.05 -0.04 2.34 2.93 2qu7A1 THR 114 H -0.18 0.45 -0.34 -0.55 8.28 7.66 2qu7A1 THR 114 HA -0.12 0.03 0.50 -0.75 4.39 4.05 2qu7A1 THR 114 HB -0.52 0.10 0.19 -0.04 4.32 4.05 2qu7A1 THR 114 HG23 -0.36 -0.02 -0.10 -0.04 1.22 0.70 2qu7A1 PHE 115 H -0.20 0.53 -0.04 -0.55 8.34 8.07 2qu7A1 PHE 115 HA -0.03 0.05 0.44 -0.75 4.62 4.33 2qu7A1 PHE 115 HB2 -0.11 0.06 0.11 -0.04 3.15 3.17 2qu7A1 PHE 115 HB3 -0.05 -0.01 0.01 -0.04 3.06 2.97 2qu7A1 PHE 115 HD2 -0.06 0.01 -0.12 -0.04 7.28 7.07 2qu7A1 PHE 115 HE2 -0.03 -0.05 -0.12 -0.04 7.38 7.14 2qu7A1 PHE 115 HZ -0.02 -0.03 -0.16 -0.04 7.32 7.07 2qu7A1 VAL 116 H -0.04 0.61 -0.06 -0.55 8.24 8.19 2qu7A1 VAL 116 HA 0.04 0.10 0.49 -0.75 4.13 4.00 2qu7A1 VAL 116 HB 0.00 0.01 0.10 -0.04 2.12 2.20 2qu7A1 VAL 116 HG13 0.18 -0.01 -0.11 -0.04 0.97 0.99 2qu7A1 VAL 116 HG23 -0.26 0.04 0.02 -0.04 0.95 0.71 2qu7A1 SER 117 H 0.02 0.43 -0.22 -0.55 8.46 8.14 2qu7A1 SER 117 HA 0.05 0.02 0.36 -0.75 4.49 4.16 2qu7A1 SER 117 HB2 -0.00 0.10 0.14 -0.04 3.95 4.14 2qu7A1 SER 117 HB3 0.02 -0.07 0.06 -0.04 3.93 3.90 2qu7A1 GLN 118 H 0.05 0.24 -0.46 -0.55 8.47 7.75 2qu7A1 GLN 118 HA 0.04 0.12 0.71 -0.75 4.36 4.47 2qu7A1 GLN 118 HB2 0.11 0.05 0.11 -0.04 2.15 2.38 2qu7A1 GLN 118 HB3 0.09 -0.07 0.10 -0.04 2.02 2.10 2qu7A1 GLN 118 HG2 0.00 0.04 -0.05 -0.04 2.40 2.35 2qu7A1 GLN 118 HG3 0.03 -0.09 -0.01 -0.04 2.39 2.28 2qu7A1 GLN 118 HE21 0.03 -0.02 0.02 -0.04 6.97 6.96 2qu7A1 GLN 118 HE22 0.04 -0.04 0.03 -0.04 7.69 7.69 2qu7A1 ASN 119 H 0.06 0.36 -0.45 -0.55 8.53 7.95 2qu7A1 ASN 119 HA 0.05 0.10 0.36 -0.75 4.76 4.51 2qu7A1 ASN 119 HB2 0.04 -0.01 -0.48 -0.04 2.88 2.38 2qu7A1 ASN 119 HB3 0.03 -0.03 0.29 -0.04 2.79 3.05 2qu7A1 ASN 119 HD21 0.04 -0.09 0.00 -0.04 7.03 6.94 2qu7A1 ASN 119 HD22 0.04 0.04 -0.10 -0.04 7.74 7.68 2qu7A1 VAL 120 H 0.07 0.26 -0.05 -0.55 8.24 7.98 2qu7A1 VAL 120 HA 0.03 -0.02 0.49 -0.75 4.13 3.88 2qu7A1 VAL 120 HB -0.04 0.14 0.09 -0.04 2.12 2.27 2qu7A1 VAL 120 HG13 0.08 -0.02 -0.03 -0.04 0.97 0.97 2qu7A1 VAL 120 HG23 0.01 -0.00 -0.20 -0.04 0.95 0.71 2qu7A1 SER 121 H 0.01 0.44 0.32 -0.55 8.46 8.68 2qu7A1 SER 121 HA 0.01 0.12 0.51 -0.75 4.49 4.38 2qu7A1 SER 121 HB2 0.00 -0.09 -0.03 -0.04 3.95 3.79 2qu7A1 SER 121 HB3 0.00 -0.05 0.02 -0.04 3.93 3.86 2qu7A1 ALA 122 H -0.02 0.19 0.02 -0.55 8.40 8.04 2qu7A1 ALA 122 HA -0.01 0.31 0.49 -0.75 4.34 4.38 2qu7A1 ALA 122 HB3 -0.01 0.01 -0.15 -0.04 1.41 1.22 2qu7A1 ILE 123 H -0.01 0.78 0.29 -0.55 8.25 8.77 2qu7A1 ILE 123 HA -0.07 0.17 0.92 -0.75 4.18 4.44 2qu7A1 ILE 123 HB -0.03 0.05 0.08 -0.04 1.89 1.96 2qu7A1 ILE 123 HG12 -0.09 -0.06 -0.05 -0.04 1.49 1.26 2qu7A1 ILE 123 HG13 -0.04 0.02 -0.55 -0.04 1.21 0.61 2qu7A1 ILE 123 HG23 -0.06 -0.04 -0.20 -0.04 0.93 0.58 2qu7A1 ILE 123 HD13 -0.06 -0.01 -0.10 -0.04 0.88 0.67 2qu7A1 ILE 124 H 0.02 0.81 0.29 -0.55 8.25 8.82 2qu7A1 ILE 124 HA 0.05 0.19 0.84 -0.75 4.18 4.50 2qu7A1 ILE 124 HB 0.23 -0.08 0.12 -0.04 1.89 2.12 2qu7A1 ILE 124 HG12 -0.00 0.05 -0.13 -0.04 1.49 1.37 2qu7A1 ILE 124 HG13 -0.01 0.01 -0.28 -0.04 1.21 0.89 2qu7A1 ILE 124 HG23 0.11 -0.02 -0.22 -0.04 0.93 0.75 2qu7A1 ILE 124 HD13 -0.13 -0.01 -0.18 -0.04 0.88 0.51 2qu7A1 LEU 125 H 0.02 0.87 0.32 -0.55 8.37 9.03 2qu7A1 LEU 125 HA -0.08 0.08 0.91 -0.75 4.35 4.51 2qu7A1 LEU 125 HB2 -0.11 0.03 -0.05 -0.04 1.64 1.48 2qu7A1 LEU 125 HB3 -0.11 0.09 0.14 -0.04 1.64 1.72 2qu7A1 LEU 125 HG -0.24 -0.08 -0.36 -0.04 1.64 0.92 2qu7A1 LEU 125 HD13 -0.18 -0.01 -0.09 -0.04 0.93 0.61 2qu7A1 LEU 125 HD23 -0.59 -0.00 -0.11 -0.04 0.89 0.15 2qu7A1 VAL 126 H -0.17 0.74 0.29 -0.55 8.24 8.54 2qu7A1 VAL 126 HA -0.01 0.26 0.96 -0.75 4.13 4.59 2qu7A1 VAL 126 HB -0.36 -0.11 0.35 -0.04 2.12 1.96 2qu7A1 VAL 126 HG13 0.04 0.02 0.07 -0.04 0.97 1.06 2qu7A1 VAL 126 HG23 -0.00 0.01 -0.02 -0.04 0.95 0.90 2qu7A1 PRO 127 HA -0.18 0.00 0.27 -0.51 4.44 4.02 2qu7A1 PRO 127 HB2 -0.09 0.18 -0.14 -0.04 2.28 2.19 2qu7A1 PRO 127 HB3 -0.33 0.06 -0.04 -0.04 2.02 1.67 2qu7A1 PRO 127 HG2 -0.03 -0.09 -0.17 -0.04 2.03 1.71 2qu7A1 PRO 127 HG3 -0.08 0.10 -0.19 -0.04 2.03 1.82 2qu7A1 PRO 127 HD2 -0.01 0.05 0.17 -0.04 3.68 3.85 2qu7A1 PRO 127 HD3 -0.08 0.30 -0.07 -0.04 3.65 3.75 2qu7A1 VAL 128 H -0.06 0.12 0.11 -0.55 8.24 7.86 2qu7A1 VAL 128 HA -0.03 0.04 0.48 -0.75 4.13 3.86 2qu7A1 VAL 128 HB -0.00 0.03 -0.01 -0.04 2.12 2.11 2qu7A1 VAL 128 HG13 -0.04 -0.02 -0.13 -0.04 0.97 0.74 2qu7A1 VAL 128 HG23 0.03 -0.00 -0.20 -0.04 0.95 0.74 2qu7A1 LYS 129 H 0.02 0.14 -0.16 -0.55 8.42 7.86 2qu7A1 LYS 129 HA 0.03 0.19 0.46 -0.75 4.32 4.24 2qu7A1 LYS 129 HB2 0.04 0.01 0.15 -0.04 1.87 2.02 2qu7A1 LYS 129 HB3 0.04 0.04 -0.15 -0.04 1.79 1.67 2qu7A1 LYS 129 HG2 0.08 -0.11 -0.08 -0.04 1.46 1.31 2qu7A1 LYS 129 HG3 0.10 0.10 -0.24 -0.04 1.46 1.38 2qu7A1 LYS 129 HD2 0.07 0.09 0.01 -0.04 1.69 1.81 2qu7A1 LYS 129 HD3 0.05 -0.02 0.02 -0.04 1.68 1.69 2qu7A1 LYS 129 HE2 0.03 0.01 -0.05 -0.04 2.99 2.94 2qu7A1 LYS 129 HE3 0.05 -0.08 -0.02 -0.04 2.99 2.90 2qu7A1 SER 130 H 0.04 0.62 0.27 -0.55 8.46 8.85 2qu7A1 SER 130 HA 0.06 0.12 0.49 -0.75 4.49 4.40 2qu7A1 SER 130 HB2 0.04 0.03 0.12 -0.04 3.95 4.10 2qu7A1 SER 130 HB3 0.05 -0.03 0.01 -0.04 3.93 3.92 2qu7A1 LYS 131 H 0.07 0.09 -0.08 -0.55 8.42 7.95 2qu7A1 LYS 131 HA 0.08 0.06 0.59 -0.75 4.32 4.29 2qu7A1 LYS 131 HB2 0.06 -0.02 0.18 -0.04 1.87 2.05 2qu7A1 LYS 131 HB3 0.04 0.06 0.04 -0.04 1.79 1.90 2qu7A1 LYS 131 HG2 0.04 -0.10 0.07 -0.04 1.46 1.44 2qu7A1 LYS 131 HG3 0.03 0.02 0.05 -0.04 1.46 1.53 2qu7A1 LYS 131 HD2 0.03 0.04 0.01 -0.04 1.69 1.72 2qu7A1 LYS 131 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 2qu7A1 LYS 131 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 2qu7A1 LYS 131 HE3 0.02 0.04 -0.01 -0.04 2.99 2.99 2qu7A1 PHE 132 H 0.20 0.36 0.27 -0.55 8.34 8.61 2qu7A1 PHE 132 HA 0.06 0.08 0.71 -0.75 4.62 4.72 2qu7A1 PHE 132 HB2 0.06 0.02 -0.19 -0.04 3.15 3.01 2qu7A1 PHE 132 HB3 0.06 0.03 -0.06 -0.04 3.06 3.05 2qu7A1 PHE 132 HD2 0.11 -0.03 -0.14 -0.04 7.28 7.18 2qu7A1 PHE 132 HE2 0.22 -0.01 -0.13 -0.04 7.38 7.42 2qu7A1 PHE 132 HZ 0.33 0.03 -0.12 -0.04 7.32 7.51 2qu7A1 GLN 133 H -0.44 0.21 0.10 -0.55 8.47 7.80 2qu7A1 GLN 133 HA -0.21 0.16 0.78 -0.75 4.36 4.35 2qu7A1 GLN 133 HB2 -0.20 -0.05 0.06 -0.04 2.15 1.92 2qu7A1 GLN 133 HB3 -0.17 0.12 0.04 -0.04 2.02 1.97 2qu7A1 GLN 133 HG2 -0.05 0.07 0.06 -0.04 2.40 2.43 2qu7A1 GLN 133 HG3 -0.05 0.03 -0.31 -0.04 2.39 2.02 2qu7A1 GLN 133 HE21 -0.03 0.01 -0.07 -0.04 6.97 6.83 2qu7A1 GLN 133 HE22 -0.03 -0.09 -0.22 -0.04 7.69 7.30 2qu7A1 MET 134 H -0.13 0.14 0.07 -0.55 8.47 8.00 2qu7A1 MET 134 HA 0.11 0.01 0.53 -0.75 4.52 4.42 2qu7A1 MET 134 HB2 0.13 -0.05 0.10 -0.04 2.15 2.30 2qu7A1 MET 134 HB3 0.03 0.02 -0.16 -0.04 2.03 1.88 2qu7A1 MET 134 HG2 0.27 0.08 -0.10 -0.04 2.63 2.84 2qu7A1 MET 134 HG3 0.56 0.04 -0.01 -0.04 2.56 3.11 2qu7A1 MET 134 HE3 0.39 -0.02 -0.04 -0.04 2.10 2.39 2qu7A1 LYS 135 H -1.61 0.11 0.17 -0.55 8.42 6.54 2qu7A1 LYS 135 HA -0.53 0.13 0.72 -0.75 4.32 3.89 2qu7A1 LYS 135 HB2 -2.47 -0.01 0.14 -0.04 1.87 -0.51 2qu7A1 LYS 135 HB3 -0.75 -0.05 0.09 -0.04 1.79 1.03 2qu7A1 LYS 135 HG2 -0.61 0.04 0.08 -0.04 1.46 0.93 2qu7A1 LYS 135 HG3 -1.43 0.03 0.08 -0.04 1.46 0.10 2qu7A1 LYS 135 HD2 -0.34 0.01 0.03 -0.04 1.69 1.34 2qu7A1 LYS 135 HD3 -0.60 0.00 0.03 -0.04 1.68 1.07 2qu7A1 LYS 135 HE2 -0.26 -0.02 0.04 -0.04 2.99 2.70 2qu7A1 LYS 135 HE3 -0.25 0.01 0.03 -0.04 2.99 2.74 2qu7A1 ARG 136 H -0.23 0.17 0.12 -0.55 8.46 7.97 2qu7A1 ARG 136 HA -0.06 0.14 0.35 -0.75 4.34 4.02 2qu7A1 ARG 136 HB2 -0.04 0.07 0.07 -0.04 1.90 1.96 2qu7A1 ARG 136 HB3 -0.09 0.03 0.10 -0.04 1.80 1.81 2qu7A1 ARG 136 HG2 -0.10 -0.06 0.08 -0.04 1.67 1.55 2qu7A1 ARG 136 HG3 -0.06 0.04 -0.14 -0.04 1.67 1.48 2qu7A1 ARG 136 HD2 -0.05 0.00 0.02 -0.04 3.22 3.14 2qu7A1 ARG 136 HD3 -0.05 0.01 -0.01 -0.04 3.22 3.14 2qu7A1 GLU 137 H -0.15 0.04 -0.14 -0.55 8.60 7.80 2qu7A1 GLU 137 HA 0.02 0.13 0.44 -0.75 4.29 4.12 2qu7A1 GLU 137 HB2 -0.05 -0.05 -0.04 -0.04 2.09 1.90 2qu7A1 GLU 137 HB3 0.08 0.10 0.00 -0.04 1.99 2.12 2qu7A1 GLU 137 HG2 -0.02 0.06 0.02 -0.04 2.34 2.36 2qu7A1 GLU 137 HG3 -0.03 0.04 0.04 -0.04 2.34 2.34 2qu7A1 TRP 138 H 0.01 0.19 -0.49 -0.55 7.97 7.14 2qu7A1 TRP 138 HA 0.04 0.10 0.40 -0.75 4.62 4.41 2qu7A1 TRP 138 HB2 0.04 0.20 0.06 -0.04 3.23 3.48 2qu7A1 TRP 138 HB3 0.07 0.03 0.03 -0.04 3.23 3.33 2qu7A1 TRP 138 HD1 0.03 0.06 -0.18 -0.04 7.22 7.09 2qu7A1 TRP 138 HE1 0.02 0.02 -0.03 -0.04 10.20 10.18 2qu7A1 TRP 138 HE3 0.11 0.08 0.08 -0.04 7.59 7.81 2qu7A1 TRP 138 HZ2 0.03 0.04 0.04 -0.04 7.44 7.51 2qu7A1 TRP 138 HZ3 -0.01 0.05 -0.00 -0.04 7.13 7.13 2qu7A1 TRP 138 HH2 0.07 -0.02 0.04 -0.04 7.19 7.24 2qu7A1 LEU 139 H 0.14 0.35 -0.45 -0.55 8.37 7.87 2qu7A1 LEU 139 HA 0.15 0.07 0.14 -0.75 4.35 3.95 2qu7A1 LEU 139 HB2 0.06 0.20 0.12 -0.04 1.64 1.98 2qu7A1 LEU 139 HB3 0.06 0.01 0.05 -0.04 1.64 1.71 2qu7A1 LEU 139 HG 0.09 -0.00 -0.04 -0.04 1.64 1.65 2qu7A1 LEU 139 HD13 0.01 -0.03 -0.00 -0.04 0.93 0.87 2qu7A1 LEU 139 HD23 0.09 -0.01 -0.02 -0.04 0.89 0.92 2qu7A1 LYS 140 H 0.11 0.13 -0.45 -0.55 8.42 7.65 2qu7A1 LYS 140 HA 0.05 0.04 0.46 -0.75 4.32 4.11 2qu7A1 LYS 140 HB2 0.07 0.05 -0.05 -0.04 1.87 1.90 2qu7A1 LYS 140 HB3 0.04 -0.01 0.07 -0.04 1.79 1.86 2qu7A1 LYS 140 HG2 0.06 -0.11 -0.00 -0.04 1.46 1.37 2qu7A1 LYS 140 HG3 0.08 0.22 0.06 -0.04 1.46 1.78 2qu7A1 LYS 140 HD2 0.04 0.01 0.02 -0.04 1.69 1.73 2qu7A1 LYS 140 HD3 0.03 -0.00 0.02 -0.04 1.68 1.69 2qu7A1 LYS 140 HE2 0.03 -0.04 0.00 -0.04 2.99 2.94 2qu7A1 LYS 140 HE3 0.03 -0.03 -0.01 -0.04 2.99 2.95 2qu7A1 ILE 141 H 0.10 0.32 -0.17 -0.55 8.25 7.96 2qu7A1 ILE 141 HA 0.04 0.26 0.72 -0.75 4.18 4.45 2qu7A1 ILE 141 HB 0.06 -0.03 0.11 -0.04 1.89 1.98 2qu7A1 ILE 141 HG12 0.04 -0.07 -0.06 -0.04 1.49 1.36 2qu7A1 ILE 141 HG13 0.04 0.22 -0.05 -0.04 1.21 1.38 2qu7A1 ILE 141 HG23 0.02 -0.00 -0.30 -0.04 0.93 0.60 2qu7A1 ILE 141 HD13 0.06 -0.06 -0.03 -0.04 0.88 0.81 2qu7A1 PRO 142 HA 0.03 0.02 0.45 -0.51 4.44 4.43 2qu7A1 PRO 142 HB2 -0.00 -0.10 0.05 -0.04 2.28 2.19 2qu7A1 PRO 142 HB3 -0.00 -0.03 -0.04 -0.04 2.02 1.90 2qu7A1 PRO 142 HG2 -0.01 0.19 0.19 -0.04 2.03 2.36 2qu7A1 PRO 142 HG3 -0.00 0.08 0.08 -0.04 2.03 2.14 2qu7A1 PRO 142 HD2 0.01 0.22 0.19 -0.04 3.68 4.06 2qu7A1 PRO 142 HD3 0.02 0.31 0.33 -0.04 3.65 4.27 2qu7A1 ILE 143 H 0.04 0.24 0.21 -0.55 8.25 8.19 2qu7A1 ILE 143 HA 0.02 0.32 1.00 -0.75 4.18 4.77 2qu7A1 ILE 143 HB 0.04 0.08 -0.17 -0.04 1.89 1.80 2qu7A1 ILE 143 HG12 0.08 -0.12 -0.18 -0.04 1.49 1.23 2qu7A1 ILE 143 HG13 0.02 0.17 0.06 -0.04 1.21 1.43 2qu7A1 ILE 143 HG23 0.12 0.02 0.00 -0.04 0.93 1.03 2qu7A1 ILE 143 HD13 0.04 -0.05 -0.08 -0.04 0.88 0.75 2qu7A1 MET 144 H 0.02 0.49 0.40 -0.55 8.47 8.84 2qu7A1 MET 144 HA 0.04 0.21 0.66 -0.75 4.52 4.68 2qu7A1 MET 144 HB2 0.03 0.08 0.07 -0.04 2.15 2.28 2qu7A1 MET 144 HB3 0.02 0.03 -0.00 -0.04 2.03 2.05 2qu7A1 MET 144 HG2 0.02 0.06 -0.00 -0.04 2.63 2.66 2qu7A1 MET 144 HG3 0.03 -0.12 -0.17 -0.04 2.56 2.25 2qu7A1 MET 144 HE3 0.02 -0.02 -0.11 -0.04 2.10 1.95 2qu7A1 THR 145 H 0.04 0.61 0.33 -0.55 8.28 8.71 2qu7A1 THR 145 HA 0.02 0.26 1.17 -0.75 4.39 5.09 2qu7A1 THR 145 HB 0.01 0.03 0.20 -0.04 4.32 4.51 2qu7A1 THR 145 HG23 -0.03 -0.04 -0.10 -0.04 1.22 1.02 2qu7A1 LEU 146 H 0.09 0.58 0.38 -0.55 8.37 8.88 2qu7A1 LEU 146 HA 0.11 0.20 1.05 -0.75 4.35 4.95 2qu7A1 LEU 146 HB2 0.13 0.06 -0.17 -0.04 1.64 1.62 2qu7A1 LEU 146 HB3 0.28 -0.03 -0.05 -0.04 1.64 1.80 2qu7A1 LEU 146 HG 0.14 0.01 0.04 -0.04 1.64 1.79 2qu7A1 LEU 146 HD13 -0.03 0.01 -0.12 -0.04 0.93 0.75 2qu7A1 LEU 146 HD23 0.39 -0.03 -0.22 -0.04 0.89 0.99 2qu7A1 ASP 147 H 0.17 0.56 0.27 -0.55 8.40 8.85 2qu7A1 ASP 147 HA 0.20 -0.07 0.47 -0.75 4.63 4.47 2qu7A1 ASP 147 HB2 0.52 -0.05 -0.12 -0.04 2.71 3.02 2qu7A1 ASP 147 HB3 0.34 0.22 0.25 -0.04 2.70 3.47 2qu7A1 ARG 148 H 0.11 0.71 -0.19 -0.55 8.46 8.54 2qu7A1 ARG 148 HA 0.07 0.03 0.88 -0.75 4.34 4.57 2qu7A1 ARG 148 HB2 0.04 0.12 0.04 -0.04 1.90 2.06 2qu7A1 ARG 148 HB3 0.04 0.01 0.01 -0.04 1.80 1.81 2qu7A1 ARG 148 HG2 0.06 -0.25 -0.01 -0.04 1.67 1.43 2qu7A1 ARG 148 HG3 0.11 -0.09 -0.33 -0.04 1.67 1.32 2qu7A1 ARG 148 HD2 0.05 0.06 -0.04 -0.04 3.22 3.24 2qu7A1 ARG 148 HD3 0.04 0.18 -0.05 -0.04 3.22 3.35 2qu7A1 GLU 149 H 0.05 0.03 0.13 -0.55 8.60 8.26 2qu7A1 GLU 149 HA 0.04 0.18 0.69 -0.75 4.29 4.45 2qu7A1 GLU 149 HB2 0.04 -0.06 0.02 -0.04 2.09 2.05 2qu7A1 GLU 149 HB3 0.04 0.17 0.03 -0.04 1.99 2.19 2qu7A1 GLU 149 HG2 0.05 0.08 -0.16 -0.04 2.34 2.26 2qu7A1 GLU 149 HG3 0.05 -0.15 -0.24 -0.04 2.34 1.96 2qu7A1 LEU 150 H 0.06 0.18 0.06 -0.55 8.37 8.12 2qu7A1 LEU 150 HA 0.07 0.12 0.81 -0.75 4.35 4.60 2qu7A1 LEU 150 HB2 0.10 -0.00 -0.04 -0.04 1.64 1.66 2qu7A1 LEU 150 HB3 0.15 0.04 0.09 -0.04 1.64 1.88 2qu7A1 LEU 150 HG 0.03 -0.05 -0.12 -0.04 1.64 1.46 2qu7A1 LEU 150 HD13 0.21 0.02 -0.07 -0.04 0.93 1.05 2qu7A1 LEU 150 HD23 0.05 -0.02 -0.03 -0.04 0.89 0.85 2qu7A1 GLU 151 H 0.09 0.48 0.20 -0.55 8.60 8.82 2qu7A1 GLU 151 HA 0.05 0.05 0.39 -0.75 4.29 4.02 2qu7A1 GLU 151 HB2 0.05 -0.07 -0.05 -0.04 2.09 1.99 2qu7A1 GLU 151 HB3 0.05 -0.04 0.15 -0.04 1.99 2.11 2qu7A1 GLU 151 HG2 0.03 0.04 -0.12 -0.04 2.34 2.25 2qu7A1 GLU 151 HG3 0.03 0.00 -0.00 -0.04 2.34 2.33 2qu7A1 SER 152 H 0.07 0.17 0.02 -0.55 8.46 8.17 2qu7A1 SER 152 HA 0.04 0.21 0.89 -0.75 4.49 4.88 2qu7A1 SER 152 HB2 0.03 -0.06 0.12 -0.04 3.95 4.01 2qu7A1 SER 152 HB3 0.03 0.03 0.02 -0.04 3.93 3.96 2qu7A1 THR 153 H 0.05 0.40 0.12 -0.55 8.28 8.31 2qu7A1 THR 153 HA 0.06 0.11 0.41 -0.75 4.39 4.22 2qu7A1 THR 153 HB 0.11 -0.15 0.17 -0.04 4.32 4.41 2qu7A1 THR 153 HG23 0.17 0.00 0.02 -0.04 1.22 1.37 2qu7A1 SER 154 H 0.06 0.15 0.15 -0.55 8.46 8.28 2qu7A1 SER 154 HA 0.04 0.18 0.74 -0.75 4.49 4.70 2qu7A1 SER 154 HB2 0.04 0.08 0.12 -0.04 3.95 4.14 2qu7A1 SER 154 HB3 0.03 0.01 0.08 -0.04 3.93 4.01 2qu7A1 LEU 155 H 0.08 -0.09 -0.17 -0.55 8.37 7.64 2qu7A1 LEU 155 HA 0.06 0.22 0.42 -0.75 4.35 4.30 2qu7A1 LEU 155 HB2 0.10 -0.15 0.05 -0.04 1.64 1.60 2qu7A1 LEU 155 HB3 0.07 0.06 -0.12 -0.04 1.64 1.61 2qu7A1 LEU 155 HG 0.09 0.26 -0.11 -0.04 1.64 1.84 2qu7A1 LEU 155 HD13 0.15 -0.02 -0.01 -0.04 0.93 1.01 2qu7A1 LEU 155 HD23 0.15 -0.03 -0.15 -0.04 0.89 0.82 2qu7A1 PRO 156 HA 0.04 0.02 0.58 -0.51 4.44 4.56 2qu7A1 PRO 156 HB2 0.03 -0.00 -0.10 -0.04 2.28 2.16 2qu7A1 PRO 156 HB3 0.03 0.10 0.02 -0.04 2.02 2.13 2qu7A1 PRO 156 HG2 0.03 -0.04 0.12 -0.04 2.03 2.09 2qu7A1 PRO 156 HG3 0.02 0.08 0.09 -0.04 2.03 2.19 2qu7A1 PRO 156 HD2 0.04 0.23 0.40 -0.04 3.68 4.31 2qu7A1 PRO 156 HD3 0.04 0.25 0.32 -0.04 3.65 4.21 2qu7A1 SER 157 H 0.04 0.13 0.26 -0.55 8.46 8.34 2qu7A1 SER 157 HA 0.05 0.36 0.99 -0.75 4.49 5.13 2qu7A1 SER 157 HB2 0.05 0.04 -0.16 -0.04 3.95 3.83 2qu7A1 SER 157 HB3 0.05 0.03 -0.10 -0.04 3.93 3.86 2qu7A1 ILE 158 H 0.06 0.48 0.31 -0.55 8.25 8.55 2qu7A1 ILE 158 HA 0.05 0.36 0.84 -0.75 4.18 4.67 2qu7A1 ILE 158 HB 0.03 0.07 0.07 -0.04 1.89 2.03 2qu7A1 ILE 158 HG12 0.06 -0.08 -0.18 -0.04 1.49 1.24 2qu7A1 ILE 158 HG13 0.04 0.05 0.02 -0.04 1.21 1.28 2qu7A1 ILE 158 HG23 0.05 -0.01 0.10 -0.04 0.93 1.02 2qu7A1 ILE 158 HD13 0.02 0.01 -0.05 -0.04 0.88 0.82 2qu7A1 THR 159 H 0.05 0.67 0.32 -0.55 8.28 8.77 2qu7A1 THR 159 HA 0.09 0.02 0.78 -0.75 4.39 4.53 2qu7A1 THR 159 HB 0.06 0.03 0.14 -0.04 4.32 4.50 2qu7A1 THR 159 HG23 0.06 0.00 -0.52 -0.04 1.22 0.72 2qu7A1 VAL 160 H 0.07 0.13 0.17 -0.55 8.24 8.06 2qu7A1 VAL 160 HA 0.05 0.19 0.83 -0.75 4.13 4.44 2qu7A1 VAL 160 HB 0.04 0.02 -0.04 -0.04 2.12 2.10 2qu7A1 VAL 160 HG13 0.07 -0.01 -0.14 -0.04 0.97 0.85 2qu7A1 VAL 160 HG23 0.05 -0.02 -0.26 -0.04 0.95 0.67 2qu7A1 ASP 161 H 0.04 0.46 0.22 -0.55 8.40 8.57 2qu7A1 ASP 161 HA 0.04 0.13 0.78 -0.75 4.63 4.83 2qu7A1 ASP 161 HB2 0.03 0.16 0.10 -0.04 2.71 2.95 2qu7A1 ASP 161 HB3 0.03 -0.04 0.26 -0.04 2.70 2.91 2qu7A1 ASN 162 H 0.05 0.35 0.09 -0.55 8.53 8.47 2qu7A1 ASN 162 HA 0.11 0.04 0.32 -0.75 4.76 4.47 2qu7A1 ASN 162 HB2 0.05 0.02 0.13 -0.04 2.88 3.04 2qu7A1 ASN 162 HB3 0.05 0.07 -0.03 -0.04 2.79 2.84 2qu7A1 ASN 162 HD21 0.05 -0.00 0.09 -0.04 7.03 7.12 2qu7A1 ASN 162 HD22 0.05 0.08 0.12 -0.04 7.74 7.94 2qu7A1 GLU 163 H 0.06 0.09 -0.09 -0.55 8.60 8.11 2qu7A1 GLU 163 HA 0.09 0.26 0.49 -0.75 4.29 4.38 2qu7A1 GLU 163 HB2 0.04 0.04 0.12 -0.04 2.09 2.25 2qu7A1 GLU 163 HB3 0.03 -0.06 0.08 -0.04 1.99 2.00 2qu7A1 GLU 163 HG2 -0.01 0.02 -0.24 -0.04 2.34 2.07 2qu7A1 GLU 163 HG3 0.05 -0.02 -0.19 -0.04 2.34 2.15 2qu7A1 GLU 164 H 0.05 0.07 -0.18 -0.55 8.60 8.00 2qu7A1 GLU 164 HA 0.13 0.10 0.39 -0.75 4.29 4.16 2qu7A1 GLU 164 HB2 0.03 -0.00 0.09 -0.04 2.09 2.17 2qu7A1 GLU 164 HB3 0.06 0.05 0.08 -0.04 1.99 2.13 2qu7A1 GLU 164 HG2 0.05 0.03 0.02 -0.04 2.34 2.39 2qu7A1 GLU 164 HG3 0.10 -0.01 -0.05 -0.04 2.34 2.33 2qu7A1 ALA 165 H 0.11 0.33 -0.32 -0.55 8.40 7.97 2qu7A1 ALA 165 HA 0.02 0.02 0.37 -0.75 4.34 3.99 2qu7A1 ALA 165 HB3 0.10 0.00 0.05 -0.04 1.41 1.52 2qu7A1 ALA 166 H 0.24 0.59 0.02 -0.55 8.40 8.70 2qu7A1 ALA 166 HA 0.37 0.01 0.44 -0.75 4.34 4.41 2qu7A1 ALA 166 HB3 0.16 -0.01 0.15 -0.04 1.41 1.66 2qu7A1 TYR 167 H 0.26 0.60 -0.13 -0.55 8.29 8.46 2qu7A1 TYR 167 HA 0.06 0.22 0.44 -0.75 4.56 4.53 2qu7A1 TYR 167 HB2 0.05 -0.02 0.11 -0.04 3.06 3.17 2qu7A1 TYR 167 HB3 0.05 -0.00 0.16 -0.04 2.98 3.14 2qu7A1 TYR 167 HD2 0.04 0.00 -0.06 -0.04 7.15 7.09 2qu7A1 TYR 167 HE2 0.05 0.04 -0.13 -0.04 6.85 6.77 2qu7A1 ILE 168 H 0.15 0.55 -0.10 -0.55 8.25 8.30 2qu7A1 ILE 168 HA -0.17 0.07 0.43 -0.75 4.18 3.75 2qu7A1 ILE 168 HB 0.02 0.12 0.15 -0.04 1.89 2.14 2qu7A1 ILE 168 HG12 0.18 0.20 0.11 -0.04 1.49 1.95 2qu7A1 ILE 168 HG13 0.06 -0.08 0.01 -0.04 1.21 1.15 2qu7A1 ILE 168 HG23 -0.03 -0.03 -0.13 -0.04 0.93 0.69 2qu7A1 ILE 168 HD13 0.08 -0.00 -0.00 -0.04 0.88 0.91 2qu7A1 ALA 169 H 0.02 0.40 -0.22 -0.55 8.40 8.06 2qu7A1 ALA 169 HA -0.04 0.02 0.34 -0.75 4.34 3.91 2qu7A1 ALA 169 HB3 0.07 -0.00 -0.02 -0.04 1.41 1.42 2qu7A1 THR 170 H 0.01 0.47 -0.29 -0.55 8.28 7.92 2qu7A1 THR 170 HA 0.01 0.02 0.32 -0.75 4.39 3.99 2qu7A1 THR 170 HB -0.03 0.07 0.13 -0.04 4.32 4.45 2qu7A1 THR 170 HG23 -0.13 0.01 -0.10 -0.04 1.22 0.97 2qu7A1 LYS 171 H -0.20 0.52 -0.11 -0.55 8.42 8.08 2qu7A1 LYS 171 HA -0.28 0.07 0.34 -0.75 4.32 3.70 2qu7A1 LYS 171 HB2 -0.43 0.09 0.13 -0.04 1.87 1.61 2qu7A1 LYS 171 HB3 -0.22 0.05 0.10 -0.04 1.79 1.68 2qu7A1 LYS 171 HG2 -0.02 -0.02 -0.15 -0.04 1.46 1.23 2qu7A1 LYS 171 HG3 0.19 0.04 -0.03 -0.04 1.46 1.62 2qu7A1 LYS 171 HD2 -0.01 0.03 -0.04 -0.04 1.69 1.63 2qu7A1 LYS 171 HD3 -0.60 -0.03 -0.06 -0.04 1.68 0.95 2qu7A1 LYS 171 HE2 0.05 0.03 -0.05 -0.04 2.99 2.98 2qu7A1 LYS 171 HE3 0.07 -0.02 -0.04 -0.04 2.99 2.96 2qu7A1 ARG 172 H -0.10 0.40 -0.35 -0.55 8.46 7.85 2qu7A1 ARG 172 HA -0.05 0.02 0.41 -0.75 4.34 3.97 2qu7A1 ARG 172 HB2 -0.05 -0.01 0.07 -0.04 1.90 1.86 2qu7A1 ARG 172 HB3 -0.06 0.11 0.10 -0.04 1.80 1.91 2qu7A1 ARG 172 HG2 -0.05 -0.14 -0.09 -0.04 1.67 1.36 2qu7A1 ARG 172 HG3 -0.05 0.09 -0.27 -0.04 1.67 1.39 2qu7A1 ARG 172 HD2 -0.03 0.05 0.06 -0.04 3.22 3.26 2qu7A1 ARG 172 HD3 -0.03 -0.07 -0.03 -0.04 3.22 3.05 2qu7A1 VAL 173 H -0.08 0.34 -0.22 -0.55 8.24 7.74 2qu7A1 VAL 173 HA -0.07 0.04 0.45 -0.75 4.13 3.80 2qu7A1 VAL 173 HB -0.07 0.16 0.03 -0.04 2.12 2.20 2qu7A1 VAL 173 HG13 -0.03 -0.02 -0.24 -0.04 0.97 0.63 2qu7A1 VAL 173 HG23 -0.04 0.03 -0.11 -0.04 0.95 0.79 2qu7A1 LEU 174 H -0.25 0.48 -0.17 -0.55 8.37 7.87 2qu7A1 LEU 174 HA -0.27 0.18 0.39 -0.75 4.35 3.90 2qu7A1 LEU 174 HB2 -0.99 0.00 0.05 -0.04 1.64 0.66 2qu7A1 LEU 174 HB3 -1.71 0.01 -0.00 -0.04 1.64 -0.10 2qu7A1 LEU 174 HG -0.34 0.04 -0.13 -0.04 1.64 1.17 2qu7A1 LEU 174 HD13 -0.47 -0.05 -0.30 -0.04 0.93 0.07 2qu7A1 LEU 174 HD23 -0.27 0.02 -0.11 -0.04 0.89 0.48 2qu7A1 GLU 175 H -0.13 0.32 -0.36 -0.55 8.60 7.87 2qu7A1 GLU 175 HA 0.10 0.03 0.58 -0.75 4.29 4.26 2qu7A1 GLU 175 HB2 -0.01 0.21 0.15 -0.04 2.09 2.41 2qu7A1 GLU 175 HB3 0.04 -0.11 0.04 -0.04 1.99 1.92 2qu7A1 GLU 175 HG2 0.12 -0.06 0.04 -0.04 2.34 2.40 2qu7A1 GLU 175 HG3 0.12 0.10 -0.01 -0.04 2.34 2.52 2qu7A1 SER 176 H -0.01 0.30 -0.38 -0.55 8.46 7.82 2qu7A1 SER 176 HA 0.10 0.02 0.60 -0.75 4.49 4.46 2qu7A1 SER 176 HB2 0.37 -0.20 0.19 -0.04 3.95 4.27 2qu7A1 SER 176 HB3 0.07 0.05 0.15 -0.04 3.93 4.15 2qu7A1 THR 177 H 0.12 0.03 0.12 -0.55 8.28 7.99 2qu7A1 THR 177 HA 0.03 0.13 0.50 -0.75 4.39 4.30 2qu7A1 THR 177 HB -0.05 -0.01 -0.00 -0.04 4.32 4.21 2qu7A1 THR 177 HG23 -0.03 0.00 0.05 -0.04 1.22 1.20 2qu7A1 CYS 178 H 0.14 -0.04 -0.16 -0.55 8.50 7.88 2qu7A1 CYS 178 HA 0.03 -0.10 0.26 -0.75 4.58 4.02 2qu7A1 CYS 178 HB2 0.20 -0.02 -0.04 -0.04 2.97 3.08 2qu7A1 CYS 178 HB3 0.10 0.16 -0.08 -0.04 2.97 3.11 2qu7A1 LYS 179 H 0.01 -0.07 0.17 -0.55 8.42 7.98 2qu7A1 LYS 179 HA -0.03 0.26 0.81 -0.75 4.32 4.61 2qu7A1 LYS 179 HB2 0.01 -0.06 0.10 -0.04 1.87 1.88 2qu7A1 LYS 179 HB3 0.02 0.16 0.04 -0.04 1.79 1.96 2qu7A1 LYS 179 HG2 0.01 0.00 -0.01 -0.04 1.46 1.42 2qu7A1 LYS 179 HG3 0.00 0.06 -0.03 -0.04 1.46 1.45 2qu7A1 LYS 179 HD2 0.01 0.00 -0.16 -0.04 1.69 1.50 2qu7A1 LYS 179 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.59 2qu7A1 LYS 179 HE2 -0.00 0.01 0.00 -0.04 2.99 2.96 2qu7A1 LYS 179 HE3 -0.01 0.04 -0.02 -0.04 2.99 2.95 2qu7A1 GLU 180 H 0.01 -0.01 0.09 -0.55 8.60 8.15 2qu7A1 GLU 180 HA 0.02 0.19 0.79 -0.75 4.29 4.53 2qu7A1 GLU 180 HB2 0.02 -0.05 0.14 -0.04 2.09 2.16 2qu7A1 GLU 180 HB3 0.03 0.01 -0.02 -0.04 1.99 1.97 2qu7A1 GLU 180 HG2 0.02 0.07 0.07 -0.04 2.34 2.46 2qu7A1 GLU 180 HG3 0.01 -0.00 -0.20 -0.04 2.34 2.11 2qu7A1 VAL 181 H 0.07 0.21 0.01 -0.55 8.24 7.98 2qu7A1 VAL 181 HA 0.05 0.26 0.88 -0.75 4.13 4.57 2qu7A1 VAL 181 HB 0.18 -0.04 -0.03 -0.04 2.12 2.18 2qu7A1 VAL 181 HG13 0.10 0.02 -0.29 -0.04 0.97 0.76 2qu7A1 VAL 181 HG23 -0.03 0.01 -0.39 -0.04 0.95 0.50 2qu7A1 GLY 182 H 0.03 0.52 0.34 -0.55 8.43 8.76 2qu7A1 GLY 182 HA2 0.01 0.25 0.79 -0.51 4.01 4.55 2qu7A1 GLY 182 HA3 -0.02 -0.02 0.39 -0.51 4.01 3.85 2qu7A1 LEU 183 H -0.12 0.68 0.39 -0.55 8.37 8.77 2qu7A1 LEU 183 HA -0.21 0.25 1.00 -0.75 4.35 4.63 2qu7A1 LEU 183 HB2 -0.99 0.07 -0.12 -0.04 1.64 0.56 2qu7A1 LEU 183 HB3 -0.55 -0.04 0.12 -0.04 1.64 1.13 2qu7A1 LEU 183 HG -0.37 -0.07 -0.35 -0.04 1.64 0.81 2qu7A1 LEU 183 HD13 -0.24 0.02 -0.05 -0.04 0.93 0.61 2qu7A1 LEU 183 HD23 -0.74 -0.02 -0.09 -0.04 0.89 0.00 2qu7A1 LEU 184 H -0.16 0.72 0.36 -0.55 8.37 8.74 2qu7A1 LEU 184 HA -0.13 0.17 0.96 -0.75 4.35 4.59 2qu7A1 LEU 184 HB2 -0.12 -0.28 0.19 -0.04 1.64 1.39 2qu7A1 LEU 184 HB3 -0.11 -0.01 0.01 -0.04 1.64 1.48 2qu7A1 LEU 184 HG -0.11 0.10 -0.14 -0.04 1.64 1.44 2qu7A1 LEU 184 HD13 -0.11 -0.02 -0.06 -0.04 0.93 0.69 2qu7A1 LEU 184 HD23 -0.16 0.02 -0.30 -0.04 0.89 0.41 2qu7A1 LEU 185 H -0.21 0.72 0.27 -0.55 8.37 8.60 2qu7A1 LEU 185 HA -0.18 0.07 1.02 -0.75 4.35 4.50 2qu7A1 LEU 185 HB2 -0.51 0.22 0.12 -0.04 1.64 1.43 2qu7A1 LEU 185 HB3 -0.12 -0.05 0.05 -0.04 1.64 1.49 2qu7A1 LEU 185 HG -0.35 0.01 -0.34 -0.04 1.64 0.92 2qu7A1 LEU 185 HD13 -0.35 0.01 -0.09 -0.04 0.93 0.45 2qu7A1 LEU 185 HD23 -0.19 -0.00 -0.06 -0.04 0.89 0.60 2qu7A1 ALA 186 H -0.06 0.09 0.09 -0.55 8.40 7.98 2qu7A1 ALA 186 HA 0.02 0.09 0.76 -0.75 4.34 4.46 2qu7A1 ALA 186 HB3 0.01 -0.02 0.14 -0.04 1.41 1.49 2qu7A1 ASN 187 H 0.05 0.08 0.18 -0.55 8.53 8.30 2qu7A1 ASN 187 HA 0.08 0.15 0.30 -0.75 4.76 4.53 2qu7A1 ASN 187 HB2 0.04 0.19 0.26 -0.04 2.88 3.32 2qu7A1 ASN 187 HB3 0.04 -0.07 0.16 -0.04 2.79 2.88 2qu7A1 ASN 187 HD21 0.01 0.06 0.06 -0.04 7.03 7.12 2qu7A1 ASN 187 HD22 0.02 0.04 0.11 -0.04 7.74 7.88 2qu7A1 PRO 188 HA 0.08 0.05 0.39 -0.51 4.44 4.45 2qu7A1 PRO 188 HB2 -0.08 0.06 -0.01 -0.04 2.28 2.20 2qu7A1 PRO 188 HB3 -0.12 0.07 0.06 -0.04 2.02 2.00 2qu7A1 PRO 188 HG2 -0.12 0.03 0.03 -0.04 2.03 1.93 2qu7A1 PRO 188 HG3 -0.41 0.11 0.03 -0.04 2.03 1.72 2qu7A1 PRO 188 HD2 -0.03 0.07 0.17 -0.04 3.68 3.85 2qu7A1 PRO 188 HD3 -0.00 0.20 0.13 -0.04 3.65 3.93 2qu7A1 ASN 189 H 0.00 0.10 -0.32 -0.55 8.53 7.77 2qu7A1 ASN 189 HA 0.01 0.18 0.65 -0.75 4.76 4.85 2qu7A1 ASN 189 HB2 0.02 -0.06 0.20 -0.04 2.88 2.99 2qu7A1 ASN 189 HB3 0.00 0.06 0.08 -0.04 2.79 2.89 2qu7A1 ASN 189 HD21 0.02 0.04 0.01 -0.04 7.03 7.05 2qu7A1 ASN 189 HD22 0.01 0.03 0.03 -0.04 7.74 7.78 2qu7A1 ILE 190 H 0.03 0.37 -0.49 -0.55 8.25 7.60 2qu7A1 ILE 190 HA 0.03 0.14 0.83 -0.75 4.18 4.44 2qu7A1 ILE 190 HB 0.03 0.01 0.12 -0.04 1.89 2.02 2qu7A1 ILE 190 HG12 0.03 0.18 -0.03 -0.04 1.49 1.63 2qu7A1 ILE 190 HG13 0.03 -0.07 -0.19 -0.04 1.21 0.94 2qu7A1 ILE 190 HG23 0.04 -0.08 -0.04 -0.04 0.93 0.81 2qu7A1 ILE 190 HD13 0.04 -0.02 0.10 -0.04 0.88 0.96 2qu7A1 SER 191 H 0.04 0.26 0.13 -0.55 8.46 8.34 2qu7A1 SER 191 HA 0.03 0.12 0.35 -0.75 4.49 4.24 2qu7A1 SER 191 HB2 0.04 0.05 0.09 -0.04 3.95 4.09 2qu7A1 SER 191 HB3 0.04 0.25 0.16 -0.04 3.93 4.34 2qu7A1 THR 192 H 0.03 0.10 -0.16 -0.55 8.28 7.71 2qu7A1 THR 192 HA 0.02 0.08 0.51 -0.75 4.39 4.25 2qu7A1 THR 192 HB -0.02 0.01 0.03 -0.04 4.32 4.30 2qu7A1 THR 192 HG23 0.04 -0.01 0.04 -0.04 1.22 1.24 2qu7A1 THR 193 H 0.01 0.15 -0.26 -0.55 8.28 7.64 2qu7A1 THR 193 HA -0.04 0.00 0.49 -0.75 4.39 4.09 2qu7A1 THR 193 HB 0.05 0.22 0.08 -0.04 4.32 4.63 2qu7A1 THR 193 HG23 0.10 0.01 -0.29 -0.04 1.22 1.00 2qu7A1 ILE 194 H 0.04 0.43 -0.06 -0.55 8.25 8.10 2qu7A1 ILE 194 HA 0.05 0.06 0.39 -0.75 4.18 3.93 2qu7A1 ILE 194 HB 0.03 0.03 0.12 -0.04 1.89 2.03 2qu7A1 ILE 194 HG12 0.04 0.13 0.03 -0.04 1.49 1.65 2qu7A1 ILE 194 HG13 0.03 0.00 -0.00 -0.04 1.21 1.20 2qu7A1 ILE 194 HG23 0.04 0.00 -0.11 -0.04 0.93 0.82 2qu7A1 ILE 194 HD13 0.05 0.00 0.02 -0.04 0.88 0.91 2qu7A1 GLY 195 H 0.03 0.55 -0.13 -0.55 8.43 8.34 2qu7A1 GLY 195 HA2 0.04 0.04 0.40 -0.51 4.01 3.99 2qu7A1 GLY 195 HA3 0.04 -0.03 0.28 -0.51 4.01 3.79 2qu7A1 ARG 196 H 0.00 0.52 -0.26 -0.55 8.46 8.17 2qu7A1 ARG 196 HA 0.06 0.07 0.42 -0.75 4.34 4.13 2qu7A1 ARG 196 HB2 -0.12 0.07 0.20 -0.04 1.90 2.01 2qu7A1 ARG 196 HB3 -0.17 -0.02 0.03 -0.04 1.80 1.60 2qu7A1 ARG 196 HG2 -0.02 -0.04 0.07 -0.04 1.67 1.64 2qu7A1 ARG 196 HG3 0.00 -0.10 0.04 -0.04 1.67 1.57 2qu7A1 ARG 196 HD2 -0.23 -0.02 -0.04 -0.04 3.22 2.89 2qu7A1 ARG 196 HD3 -0.74 0.04 0.06 -0.04 3.22 2.54 2qu7A1 LYS 197 H 0.00 0.68 -0.01 -0.55 8.42 8.53 2qu7A1 LYS 197 HA 0.02 0.02 0.48 -0.75 4.32 4.09 2qu7A1 LYS 197 HB2 0.01 -0.01 0.06 -0.04 1.87 1.89 2qu7A1 LYS 197 HB3 0.06 0.10 0.13 -0.04 1.79 2.04 2qu7A1 LYS 197 HG2 0.10 -0.01 -0.24 -0.04 1.46 1.26 2qu7A1 LYS 197 HG3 0.04 -0.01 -0.02 -0.04 1.46 1.43 2qu7A1 LYS 197 HD2 0.17 -0.02 -0.06 -0.04 1.69 1.73 2qu7A1 LYS 197 HD3 0.09 0.01 -0.06 -0.04 1.68 1.68 2qu7A1 LYS 197 HE2 0.10 0.00 -0.07 -0.04 2.99 2.98 2qu7A1 LYS 197 HE3 0.13 0.01 -0.06 -0.04 2.99 3.02 2qu7A1 ASN 198 H 0.06 0.57 -0.20 -0.55 8.53 8.42 2qu7A1 ASN 198 HA 0.08 0.03 0.40 -0.75 4.76 4.52 2qu7A1 ASN 198 HB2 0.05 0.04 0.14 -0.04 2.88 3.07 2qu7A1 ASN 198 HB3 0.04 -0.03 0.01 -0.04 2.79 2.77 2qu7A1 ASN 198 HD21 0.04 -0.03 -0.08 -0.04 7.03 6.92 2qu7A1 ASN 198 HD22 0.04 -0.08 -0.05 -0.04 7.74 7.60 2qu7A1 GLY 199 H 0.10 0.39 -0.19 -0.55 8.43 8.19 2qu7A1 GLY 199 HA2 0.15 -0.00 0.43 -0.51 4.01 4.08 2qu7A1 GLY 199 HA3 0.17 0.10 0.37 -0.51 4.01 4.15 2qu7A1 TYR 200 H 0.22 0.45 -0.21 -0.55 8.29 8.21 2qu7A1 TYR 200 HA 0.05 0.06 0.40 -0.75 4.56 4.32 2qu7A1 TYR 200 HB2 0.01 -0.02 0.04 -0.04 3.06 3.04 2qu7A1 TYR 200 HB3 0.01 0.11 0.17 -0.04 2.98 3.22 2qu7A1 TYR 200 HD2 -0.01 -0.01 -0.10 -0.04 7.15 6.99 2qu7A1 TYR 200 HE2 -0.02 -0.01 -0.16 -0.04 6.85 6.62 2qu7A1 ASN 201 H 0.20 0.58 -0.08 -0.55 8.53 8.69 2qu7A1 ASN 201 HA -0.05 -0.00 0.37 -0.75 4.76 4.33 2qu7A1 ASN 201 HB2 0.08 0.15 0.14 -0.04 2.88 3.21 2qu7A1 ASN 201 HB3 0.05 -0.03 -0.03 -0.04 2.79 2.74 2qu7A1 ASN 201 HD21 0.10 -0.05 -0.10 -0.04 7.03 6.94 2qu7A1 ASN 201 HD22 0.08 -0.02 -0.05 -0.04 7.74 7.71 2qu7A1 LYS 202 H 0.09 0.44 -0.30 -0.55 8.42 8.10 2qu7A1 LYS 202 HA 0.06 0.01 0.39 -0.75 4.32 4.03 2qu7A1 LYS 202 HB2 0.04 0.03 0.10 -0.04 1.87 2.00 2qu7A1 LYS 202 HB3 0.20 0.13 0.15 -0.04 1.79 2.23 2qu7A1 LYS 202 HG2 0.09 0.03 -0.21 -0.04 1.46 1.33 2qu7A1 LYS 202 HG3 -0.02 -0.02 0.01 -0.04 1.46 1.39 2qu7A1 LYS 202 HD2 -0.16 -0.04 -0.05 -0.04 1.69 1.40 2qu7A1 LYS 202 HD3 -0.43 -0.04 -0.06 -0.04 1.68 1.12 2qu7A1 LYS 202 HE2 -1.15 0.02 -0.07 -0.04 2.99 1.75 2qu7A1 LYS 202 HE3 -0.27 0.03 -0.04 -0.04 2.99 2.66 2qu7A1 ALA 203 H 0.15 0.45 -0.15 -0.55 8.40 8.31 2qu7A1 ALA 203 HA 0.21 0.03 0.42 -0.75 4.34 4.25 2qu7A1 ALA 203 HB3 -0.10 0.03 0.08 -0.04 1.41 1.38 2qu7A1 ILE 204 H -0.17 0.54 -0.13 -0.55 8.25 7.95 2qu7A1 ILE 204 HA -0.11 0.06 0.31 -0.75 4.18 3.70 2qu7A1 ILE 204 HB -0.22 0.05 0.08 -0.04 1.89 1.76 2qu7A1 ILE 204 HG12 -0.85 0.16 -0.03 -0.04 1.49 0.73 2qu7A1 ILE 204 HG13 -0.82 -0.10 -0.11 -0.04 1.21 0.14 2qu7A1 ILE 204 HG23 -0.08 0.03 -0.41 -0.04 0.93 0.42 2qu7A1 ILE 204 HD13 -0.28 0.01 -0.10 -0.04 0.88 0.46 2qu7A1 SER 205 H 0.00 0.59 -0.13 -0.55 8.46 8.38 2qu7A1 SER 205 HA 0.03 0.15 0.41 -0.75 4.49 4.32 2qu7A1 SER 205 HB2 0.04 0.06 0.14 -0.04 3.95 4.15 2qu7A1 SER 205 HB3 0.03 -0.07 0.02 -0.04 3.93 3.87 2qu7A1 GLU 206 H 0.12 0.49 -0.20 -0.55 8.60 8.46 2qu7A1 GLU 206 HA 0.03 -0.01 0.48 -0.75 4.29 4.05 2qu7A1 GLU 206 HB2 0.13 -0.09 0.12 -0.04 2.09 2.20 2qu7A1 GLU 206 HB3 0.22 0.13 0.21 -0.04 1.99 2.51 2qu7A1 GLU 206 HG2 0.01 0.07 -0.15 -0.04 2.34 2.23 2qu7A1 GLU 206 HG3 -0.03 -0.04 0.06 -0.04 2.34 2.29 2qu7A1 PHE 207 H 0.26 0.43 -0.36 -0.55 8.34 8.12 2qu7A1 PHE 207 HA -0.01 0.09 0.70 -0.75 4.62 4.65 2qu7A1 PHE 207 HB2 -0.04 0.07 0.10 -0.04 3.15 3.24 2qu7A1 PHE 207 HB3 -0.02 -0.01 0.13 -0.04 3.06 3.12 2qu7A1 PHE 207 HD2 -0.03 0.08 -0.02 -0.04 7.28 7.28 2qu7A1 PHE 207 HE2 -0.05 -0.01 -0.08 -0.04 7.38 7.20 2qu7A1 PHE 207 HZ -0.04 -0.04 -0.12 -0.04 7.32 7.08 2qu7A1 ASP 208 H 0.06 0.39 -0.54 -0.55 8.40 7.76 2qu7A1 ASP 208 HA 0.03 0.05 0.33 -0.75 4.63 4.28 2qu7A1 ASP 208 HB2 -0.00 -0.01 -0.10 -0.04 2.71 2.55 2qu7A1 ASP 208 HB3 0.02 0.13 -0.01 -0.04 2.70 2.80 2qu7A1 LEU 209 H 0.06 0.44 -0.09 -0.55 8.37 8.23 2qu7A1 LEU 209 HA 0.03 0.12 0.81 -0.75 4.35 4.55 2qu7A1 LEU 209 HB2 0.00 -0.03 -0.05 -0.04 1.64 1.52 2qu7A1 LEU 209 HB3 0.00 -0.02 0.06 -0.04 1.64 1.64 2qu7A1 LEU 209 HG 0.08 0.16 -0.28 -0.04 1.64 1.56 2qu7A1 LEU 209 HD13 -0.01 0.02 0.02 -0.04 0.93 0.91 2qu7A1 LEU 209 HD23 0.03 0.00 0.07 -0.04 0.89 0.95 2qu7A1 ASN 210 H 0.01 0.14 0.09 -0.55 8.53 8.24 2qu7A1 ASN 210 HA 0.01 0.18 0.97 -0.75 4.76 5.17 2qu7A1 ASN 210 HB2 0.01 -0.01 0.05 -0.04 2.88 2.89 2qu7A1 ASN 210 HB3 0.02 0.04 0.00 -0.04 2.79 2.81 2qu7A1 ASN 210 HD21 0.01 0.02 -0.10 -0.04 7.03 6.92 2qu7A1 ASN 210 HD22 0.01 0.00 -0.06 -0.04 7.74 7.66 2qu7A1 VAL 211 H 0.02 0.12 0.10 -0.55 8.24 7.93 2qu7A1 VAL 211 HA 0.03 0.06 0.45 -0.75 4.13 3.92 2qu7A1 VAL 211 HB 0.05 -0.01 0.10 -0.04 2.12 2.21 2qu7A1 VAL 211 HG13 0.13 -0.01 -0.16 -0.04 0.97 0.89 2qu7A1 VAL 211 HG23 0.01 0.01 0.04 -0.04 0.95 0.97 2qu7A1 ASN 212 H 0.09 0.21 0.12 -0.55 8.53 8.41 2qu7A1 ASN 212 HA 0.04 0.22 0.88 -0.75 4.76 5.15 2qu7A1 ASN 212 HB2 0.03 0.13 -0.04 -0.04 2.88 2.96 2qu7A1 ASN 212 HB3 0.05 0.03 0.18 -0.04 2.79 3.01 2qu7A1 ASN 212 HD21 0.02 0.02 -0.04 -0.04 7.03 6.99 2qu7A1 ASN 212 HD22 0.03 0.08 -0.00 -0.04 7.74 7.80 2qu7A1 PRO 213 HA 0.03 0.05 0.33 -0.51 4.44 4.34 2qu7A1 PRO 213 HB2 0.01 0.05 -0.03 -0.04 2.28 2.27 2qu7A1 PRO 213 HB3 0.04 0.02 0.08 -0.04 2.02 2.11 2qu7A1 PRO 213 HG2 0.02 0.05 0.06 -0.04 2.03 2.12 2qu7A1 PRO 213 HG3 0.04 0.04 0.02 -0.04 2.03 2.08 2qu7A1 PRO 213 HD2 0.02 0.10 0.21 -0.04 3.68 3.98 2qu7A1 PRO 213 HD3 0.04 0.41 0.04 -0.04 3.65 4.10 2qu7A1 SER 214 H 0.00 0.09 -0.42 -0.55 8.46 7.59 2qu7A1 SER 214 HA -0.06 0.11 0.44 -0.75 4.49 4.22 2qu7A1 SER 214 HB2 0.00 0.04 -0.06 -0.04 3.95 3.89 2qu7A1 SER 214 HB3 -0.01 0.03 0.07 -0.04 3.93 3.98 2qu7A1 LEU 215 H 0.00 0.50 -0.24 -0.55 8.37 8.09 2qu7A1 LEU 215 HA 0.04 0.13 0.63 -0.75 4.35 4.40 2qu7A1 LEU 215 HB2 0.08 0.12 0.14 -0.04 1.64 1.93 2qu7A1 LEU 215 HB3 0.06 0.02 0.11 -0.04 1.64 1.79 2qu7A1 LEU 215 HG 0.04 -0.06 -0.00 -0.04 1.64 1.58 2qu7A1 LEU 215 HD13 0.07 -0.01 -0.09 -0.04 0.93 0.86 2qu7A1 LEU 215 HD23 0.04 0.00 -0.17 -0.04 0.89 0.72 2qu7A1 ILE 216 H -0.15 0.38 -0.46 -0.55 8.25 7.47 2qu7A1 ILE 216 HA -0.22 0.18 0.95 -0.75 4.18 4.33 2qu7A1 ILE 216 HB -0.13 0.08 0.09 -0.04 1.89 1.89 2qu7A1 ILE 216 HG12 -0.32 0.06 -0.23 -0.04 1.49 0.96 2qu7A1 ILE 216 HG13 -0.05 0.02 -0.15 -0.04 1.21 0.99 2qu7A1 ILE 216 HG23 -0.53 -0.03 -0.14 -0.04 0.93 0.19 2qu7A1 ILE 216 HD13 0.02 -0.03 -0.10 -0.04 0.88 0.73 2qu7A1 HIS 217 H -0.15 0.63 0.42 -0.55 8.41 8.76 2qu7A1 HIS 217 HA -0.06 0.18 0.91 -0.75 4.63 4.91 2qu7A1 HIS 217 HB2 -0.14 -0.05 0.12 -0.04 3.26 3.16 2qu7A1 HIS 217 HB3 -0.07 -0.04 0.06 -0.04 3.20 3.11 2qu7A1 HIS 217 HD2 -0.11 0.08 -0.31 -0.04 6.97 6.58 2qu7A1 HIS 217 HE1 -0.04 -0.00 -0.02 -0.04 7.75 7.64 2qu7A1 TYR 218 H 0.19 0.25 0.20 -0.55 8.29 8.38 2qu7A1 TYR 218 HA -0.01 0.30 0.93 -0.75 4.56 5.02 2qu7A1 TYR 218 HB2 -0.01 -0.04 0.01 -0.04 3.06 2.98 2qu7A1 TYR 218 HB3 -0.01 0.01 -0.16 -0.04 2.98 2.79 2qu7A1 TYR 218 HD2 -0.04 0.08 -0.08 -0.04 7.15 7.06 2qu7A1 TYR 218 HE2 -0.05 0.03 -0.10 -0.04 6.85 6.69 2qu7A1 SER 219 H 0.08 0.56 0.15 -0.55 8.46 8.71 2qu7A1 SER 219 HA 0.08 0.10 0.79 -0.75 4.49 4.71 2qu7A1 SER 219 HB2 0.04 0.06 0.12 -0.04 3.95 4.12 2qu7A1 SER 219 HB3 0.05 -0.17 0.26 -0.04 3.93 4.03 2qu7A1 ASP 220 H 0.09 0.37 -0.09 -0.55 8.40 8.21 2qu7A1 ASP 220 HA 0.04 0.19 0.85 -0.75 4.63 4.95 2qu7A1 ASP 220 HB2 -0.00 0.03 0.17 -0.04 2.71 2.86 2qu7A1 ASP 220 HB3 0.03 -0.09 -0.11 -0.04 2.70 2.49 2qu7A1 GLN 221 H 0.06 -0.01 0.08 -0.55 8.47 8.06 2qu7A1 GLN 221 HA 0.03 0.23 0.78 -0.75 4.36 4.65 2qu7A1 GLN 221 HB2 0.08 -0.05 0.10 -0.04 2.15 2.23 2qu7A1 GLN 221 HB3 0.05 0.05 0.05 -0.04 2.02 2.13 2qu7A1 GLN 221 HG2 0.07 -0.09 0.02 -0.04 2.40 2.36 2qu7A1 GLN 221 HG3 0.07 0.06 0.03 -0.04 2.39 2.51 2qu7A1 GLN 221 HE21 0.01 0.05 -0.08 -0.04 6.97 6.91 2qu7A1 GLN 221 HE22 0.03 -0.12 -0.21 -0.04 7.69 7.35 2qu7A1 GLN 222 H 0.05 0.02 0.06 -0.55 8.47 8.06 2qu7A1 GLN 222 HA 0.02 0.24 0.75 -0.75 4.36 4.62 2qu7A1 GLN 222 HB2 0.04 -0.09 -0.03 -0.04 2.15 2.03 2qu7A1 GLN 222 HB3 0.01 -0.01 0.09 -0.04 2.02 2.07 2qu7A1 GLN 222 HG2 -0.00 0.09 -0.02 -0.04 2.40 2.43 2qu7A1 GLN 222 HG3 0.03 -0.03 -0.48 -0.04 2.39 1.87 2qu7A1 GLN 222 HE21 -0.15 0.02 -0.04 -0.04 6.97 6.75 2qu7A1 GLN 222 HE22 -0.05 0.05 -0.03 -0.04 7.69 7.63 2qu7A1 LEU 223 H 0.01 0.20 0.15 -0.55 8.37 8.19 2qu7A1 LEU 223 HA 0.02 0.15 0.87 -0.75 4.35 4.64 2qu7A1 LEU 223 HB2 0.01 -0.01 0.11 -0.04 1.64 1.70 2qu7A1 LEU 223 HB3 0.01 0.14 0.03 -0.04 1.64 1.78 2qu7A1 LEU 223 HG 0.01 -0.06 -0.17 -0.04 1.64 1.38 2qu7A1 LEU 223 HD13 0.01 -0.00 -0.01 -0.04 0.93 0.88 2qu7A1 LEU 223 HD23 0.02 0.09 -0.06 -0.04 0.89 0.89 2qu7A1 GLY 224 H 0.02 0.16 0.12 -0.55 8.43 8.18 2qu7A1 GLY 224 HA2 0.02 0.06 0.20 -0.51 4.01 3.77 2qu7A1 GLY 224 HA3 0.01 0.18 0.60 -0.51 4.01 4.30 2qu7A1 THR 225 H 0.03 0.23 0.22 -0.55 8.28 8.21 2qu7A1 THR 225 HA 0.06 0.04 0.38 -0.75 4.39 4.12 2qu7A1 THR 225 HB 0.04 0.10 0.19 -0.04 4.32 4.60 2qu7A1 THR 225 HG23 0.07 0.04 -0.11 -0.04 1.22 1.17 2qu7A1 ASN 226 H 0.02 0.18 0.06 -0.55 8.53 8.24 2qu7A1 ASN 226 HA 0.03 0.12 0.44 -0.75 4.76 4.59 2qu7A1 ASN 226 HB2 0.00 0.01 0.10 -0.04 2.88 2.96 2qu7A1 ASN 226 HB3 -0.00 0.10 -0.02 -0.04 2.79 2.82 2qu7A1 ASN 226 HD21 -0.00 0.06 0.02 -0.04 7.03 7.07 2qu7A1 ASN 226 HD22 -0.01 0.05 0.03 -0.04 7.74 7.76 2qu7A1 ALA 227 H 0.03 0.10 -0.42 -0.55 8.40 7.56 2qu7A1 ALA 227 HA 0.08 0.11 0.32 -0.75 4.34 4.09 2qu7A1 ALA 227 HB3 0.04 0.07 -0.39 -0.04 1.41 1.09 2qu7A1 GLN 228 H 0.06 0.32 -0.37 -0.55 8.47 7.93 2qu7A1 GLN 228 HA 0.05 0.08 0.45 -0.75 4.36 4.18 2qu7A1 GLN 228 HB2 0.05 0.09 0.08 -0.04 2.15 2.33 2qu7A1 GLN 228 HB3 0.03 -0.13 -0.08 -0.04 2.02 1.80 2qu7A1 GLN 228 HG2 0.04 -0.01 0.04 -0.04 2.40 2.43 2qu7A1 GLN 228 HG3 0.05 0.18 0.04 -0.04 2.39 2.61 2qu7A1 GLN 228 HE21 0.08 -0.10 -0.09 -0.04 6.97 6.81 2qu7A1 GLN 228 HE22 0.05 0.16 -0.09 -0.04 7.69 7.78 2qu7A1 ILE 229 H 0.06 0.39 -0.15 -0.55 8.25 8.00 2qu7A1 ILE 229 HA 0.01 0.20 0.46 -0.75 4.18 4.10 2qu7A1 ILE 229 HB 0.04 0.08 0.16 -0.04 1.89 2.13 2qu7A1 ILE 229 HG12 0.01 -0.01 0.10 -0.04 1.49 1.55 2qu7A1 ILE 229 HG13 0.04 0.17 0.12 -0.04 1.21 1.50 2qu7A1 ILE 229 HG23 -0.01 0.00 -0.09 -0.04 0.93 0.78 2qu7A1 ILE 229 HD13 0.02 -0.01 -0.03 -0.04 0.88 0.82 2qu7A1 TYR 230 H 0.17 0.51 -0.21 -0.55 8.29 8.21 2qu7A1 TYR 230 HA 0.05 0.06 0.28 -0.75 4.56 4.20 2qu7A1 TYR 230 HB2 -0.01 0.05 0.08 -0.04 3.06 3.14 2qu7A1 TYR 230 HB3 0.02 0.03 0.11 -0.04 2.98 3.11 2qu7A1 TYR 230 HD2 -0.02 -0.00 -0.08 -0.04 7.15 7.00 2qu7A1 TYR 230 HE2 0.03 0.04 -0.03 -0.04 6.85 6.84 2qu7A1 SER 231 H 0.14 0.51 -0.12 -0.55 8.46 8.44 2qu7A1 SER 231 HA 0.01 0.05 0.46 -0.75 4.49 4.25 2qu7A1 SER 231 HB2 0.09 -0.02 0.15 -0.04 3.95 4.12 2qu7A1 SER 231 HB3 0.05 0.00 0.16 -0.04 3.93 4.10 2qu7A1 GLY 232 H -0.00 0.46 -0.28 -0.55 8.43 8.07 2qu7A1 GLY 232 HA2 -0.09 -0.03 0.35 -0.51 4.01 3.73 2qu7A1 GLY 232 HA3 -0.05 0.07 0.35 -0.51 4.01 3.86 2qu7A1 TYR 233 H 0.02 0.39 -0.24 -0.55 8.29 7.91 2qu7A1 TYR 233 HA -0.14 0.20 0.47 -0.75 4.56 4.33 2qu7A1 TYR 233 HB2 -0.11 0.01 0.16 -0.04 3.06 3.07 2qu7A1 TYR 233 HB3 -0.24 0.01 0.22 -0.04 2.98 2.93 2qu7A1 TYR 233 HD2 -0.38 -0.00 -0.04 -0.04 7.15 6.68 2qu7A1 TYR 233 HE2 -0.07 0.03 -0.09 -0.04 6.85 6.68 2qu7A1 GLU 234 H -0.28 0.72 0.10 -0.55 8.60 8.59 2qu7A1 GLU 234 HA -0.50 0.03 0.37 -0.75 4.29 3.44 2qu7A1 GLU 234 HB2 -0.49 -0.00 0.12 -0.04 2.09 1.67 2qu7A1 GLU 234 HB3 -0.19 0.01 0.11 -0.04 1.99 1.88 2qu7A1 GLU 234 HG2 -0.03 -0.03 0.01 -0.04 2.34 2.25 2qu7A1 GLU 234 HG3 -0.08 0.01 -0.06 -0.04 2.34 2.17 2qu7A1 ALA 235 H -0.23 0.55 -0.21 -0.55 8.40 7.97 2qu7A1 ALA 235 HA -0.51 0.05 0.44 -0.75 4.34 3.57 2qu7A1 ALA 235 HB3 -0.46 -0.00 0.01 -0.04 1.41 0.92 2qu7A1 THR 236 H -0.26 0.47 -0.18 -0.55 8.28 7.76 2qu7A1 THR 236 HA -0.20 0.01 0.46 -0.75 4.39 3.90 2qu7A1 THR 236 HB -0.18 0.11 0.22 -0.04 4.32 4.42 2qu7A1 THR 236 HG23 -0.11 0.03 -0.09 -0.04 1.22 1.00 2qu7A1 LYS 237 H -0.35 0.59 -0.08 -0.55 8.42 8.02 2qu7A1 LYS 237 HA -0.19 0.03 0.38 -0.75 4.32 3.78 2qu7A1 LYS 237 HB2 -0.61 0.16 0.12 -0.04 1.87 1.50 2qu7A1 LYS 237 HB3 -0.33 0.07 0.07 -0.04 1.79 1.56 2qu7A1 LYS 237 HG2 -0.17 -0.01 0.02 -0.04 1.46 1.25 2qu7A1 LYS 237 HG3 -0.31 0.01 0.02 -0.04 1.46 1.14 2qu7A1 LYS 237 HD2 -0.20 0.01 -0.04 -0.04 1.69 1.41 2qu7A1 LYS 237 HD3 -0.11 -0.01 -0.04 -0.04 1.68 1.48 2qu7A1 LYS 237 HE2 -0.15 0.02 -0.04 -0.04 2.99 2.78 2qu7A1 LYS 237 HE3 -0.87 -0.01 -0.08 -0.04 2.99 1.99 2qu7A1 THR 238 H -0.22 0.44 -0.23 -0.55 8.28 7.72 2qu7A1 THR 238 HA -0.08 0.01 0.46 -0.75 4.39 4.03 2qu7A1 THR 238 HB -0.15 0.09 0.19 -0.04 4.32 4.41 2qu7A1 THR 238 HG23 0.05 -0.01 -0.09 -0.04 1.22 1.13 2qu7A1 LEU 239 H -0.19 0.66 -0.03 -0.55 8.37 8.26 2qu7A1 LEU 239 HA -0.02 0.01 0.38 -0.75 4.35 3.97 2qu7A1 LEU 239 HB2 -0.13 0.06 0.17 -0.04 1.64 1.70 2qu7A1 LEU 239 HB3 -0.05 -0.06 -0.01 -0.04 1.64 1.48 2qu7A1 LEU 239 HG -0.22 0.09 0.03 -0.04 1.64 1.50 2qu7A1 LEU 239 HD13 -0.13 -0.04 -0.13 -0.04 0.93 0.59 2qu7A1 LEU 239 HD23 0.07 0.01 0.03 -0.04 0.89 0.96 2qu7A1 LEU 240 H -0.09 0.88 -0.02 -0.55 8.37 8.59 2qu7A1 LEU 240 HA -0.03 0.10 0.55 -0.75 4.35 4.22 2qu7A1 LEU 240 HB2 -0.07 0.06 0.08 -0.04 1.64 1.66 2qu7A1 LEU 240 HB3 -0.04 -0.06 0.00 -0.04 1.64 1.50 2qu7A1 LEU 240 HG -0.08 0.11 -0.05 -0.04 1.64 1.58 2qu7A1 LEU 240 HD13 -0.06 -0.03 -0.20 -0.04 0.93 0.60 2qu7A1 LEU 240 HD23 -0.02 0.00 -0.08 -0.04 0.89 0.74 2qu7A1 SER 241 H -0.06 0.62 -0.12 -0.55 8.46 8.35 2qu7A1 SER 241 HA -0.03 -0.03 0.46 -0.75 4.49 4.14 2qu7A1 SER 241 HB2 -0.04 0.18 0.19 -0.04 3.95 4.24 2qu7A1 SER 241 HB3 -0.02 -0.10 0.11 -0.04 3.93 3.88 2qu7A1 LYS 242 H -0.02 0.29 -0.70 -0.55 8.42 7.44 2qu7A1 LYS 242 HA -0.00 0.12 0.73 -0.75 4.32 4.41 2qu7A1 LYS 242 HB2 0.00 0.07 0.07 -0.04 1.87 1.97 2qu7A1 LYS 242 HB3 0.01 -0.08 0.13 -0.04 1.79 1.80 2qu7A1 LYS 242 HG2 -0.00 -0.04 -0.14 -0.04 1.46 1.24 2qu7A1 LYS 242 HG3 -0.00 0.38 0.01 -0.04 1.46 1.80 2qu7A1 LYS 242 HD2 0.01 -0.05 -0.02 -0.04 1.69 1.60 2qu7A1 LYS 242 HD3 0.02 -0.05 -0.05 -0.04 1.68 1.55 2qu7A1 LYS 242 HE2 0.05 0.01 -0.15 -0.04 2.99 2.85 2qu7A1 LYS 242 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.92 2qu7A1 GLY 243 H -0.01 0.53 -0.16 -0.55 8.43 8.25 2qu7A1 GLY 243 HA2 -0.00 0.04 0.32 -0.51 4.01 3.86 2qu7A1 GLY 243 HA3 -0.00 0.03 0.49 -0.51 4.01 4.01 2qu7A1 ILE 244 H -0.00 0.35 -0.06 -0.55 8.25 7.99 2qu7A1 ILE 244 HA 0.02 0.02 0.51 -0.75 4.18 3.97 2qu7A1 ILE 244 HB -0.01 0.04 -0.02 -0.04 1.89 1.86 2qu7A1 ILE 244 HG12 0.01 0.11 0.00 -0.04 1.49 1.57 2qu7A1 ILE 244 HG13 0.02 -0.08 -0.02 -0.04 1.21 1.09 2qu7A1 ILE 244 HG23 0.01 -0.01 -0.07 -0.04 0.93 0.83 2qu7A1 ILE 244 HD13 0.02 0.00 -0.10 -0.04 0.88 0.76 2qu7A1 LYS 245 H 0.05 0.13 0.28 -0.55 8.42 8.32 2qu7A1 LYS 245 HA 0.09 0.30 0.87 -0.75 4.32 4.83 2qu7A1 LYS 245 HB2 0.12 -0.09 0.12 -0.04 1.87 1.98 2qu7A1 LYS 245 HB3 0.33 -0.07 0.11 -0.04 1.79 2.12 2qu7A1 LYS 245 HG2 0.06 0.25 0.00 -0.04 1.46 1.74 2qu7A1 LYS 245 HG3 0.03 0.20 0.01 -0.04 1.46 1.66 2qu7A1 LYS 245 HD2 -0.06 -0.11 0.02 -0.04 1.69 1.50 2qu7A1 LYS 245 HD3 -0.08 0.02 0.01 -0.04 1.68 1.59 2qu7A1 LYS 245 HE2 -0.03 0.01 0.05 -0.04 2.99 2.98 2qu7A1 LYS 245 HE3 -0.02 0.05 0.06 -0.04 2.99 3.05 2qu7A1 GLY 246 H 0.04 0.21 0.05 -0.55 8.43 8.18 2qu7A1 GLY 246 HA2 -0.01 0.18 0.93 -0.51 4.01 4.61 2qu7A1 GLY 246 HA3 0.02 0.04 0.20 -0.51 4.01 3.76 2qu7A1 ILE 247 H -0.03 0.42 0.20 -0.55 8.25 8.28 2qu7A1 ILE 247 HA -0.02 0.24 0.96 -0.75 4.18 4.61 2qu7A1 ILE 247 HB -0.05 0.04 0.04 -0.04 1.89 1.89 2qu7A1 ILE 247 HG12 -0.04 0.04 -0.14 -0.04 1.49 1.31 2qu7A1 ILE 247 HG13 -0.03 -0.01 -0.58 -0.04 1.21 0.56 2qu7A1 ILE 247 HG23 -0.07 -0.04 -0.29 -0.04 0.93 0.49 2qu7A1 ILE 247 HD13 -0.07 -0.00 -0.14 -0.04 0.88 0.63 2qu7A1 VAL 248 H -0.03 0.74 0.24 -0.55 8.24 8.65 2qu7A1 VAL 248 HA 0.02 0.30 1.01 -0.75 4.13 4.70 2qu7A1 VAL 248 HB 0.01 -0.01 0.13 -0.04 2.12 2.20 2qu7A1 VAL 248 HG13 0.13 -0.03 -0.23 -0.04 0.97 0.81 2qu7A1 VAL 248 HG23 0.07 0.02 -0.20 -0.04 0.95 0.79 2qu7A1 ALA 249 H 0.01 0.70 0.23 -0.55 8.40 8.79 2qu7A1 ALA 249 HA -0.10 0.08 0.88 -0.75 4.34 4.45 2qu7A1 ALA 249 HB3 -0.06 -0.02 -0.04 -0.04 1.41 1.26 2qu7A1 THR 250 H -0.20 0.47 0.18 -0.55 8.28 8.18 2qu7A1 THR 250 HA -0.88 0.18 0.15 -0.75 4.39 3.08 2qu7A1 THR 250 HB -0.88 -0.07 0.14 -0.04 4.32 3.47 2qu7A1 THR 250 HG23 -0.35 0.06 -0.09 -0.04 1.22 0.80 2qu7A1 ASN 251 H -0.10 0.19 -0.18 -0.55 8.53 7.90 2qu7A1 ASN 251 HA 0.04 0.14 0.07 -0.75 4.76 4.26 2qu7A1 ASN 251 HB2 -0.03 -0.08 0.21 -0.04 2.88 2.95 2qu7A1 ASN 251 HB3 -0.10 0.28 0.22 -0.04 2.79 3.14 2qu7A1 ASN 251 HD21 0.01 0.02 -0.04 -0.04 7.03 6.97 2qu7A1 ASN 251 HD22 -0.03 0.10 -0.04 -0.04 7.74 7.73 2qu7A1 HIS 252 H 0.13 0.12 0.13 -0.55 8.41 8.25 2qu7A1 HIS 252 HA 0.01 0.24 0.43 -0.75 4.63 4.56 2qu7A1 HIS 252 HB2 0.03 0.16 0.17 -0.04 3.26 3.58 2qu7A1 HIS 252 HB3 0.04 -0.17 0.16 -0.04 3.20 3.18 2qu7A1 HIS 252 HD2 0.06 -0.05 -0.15 -0.04 6.97 6.79 2qu7A1 HIS 252 HE1 0.23 -0.05 -0.01 -0.04 7.75 7.88 2qu7A1 LEU 253 H 0.10 0.01 -0.13 -0.55 8.37 7.81 2qu7A1 LEU 253 HA -0.00 0.16 0.53 -0.75 4.35 4.28 2qu7A1 LEU 253 HB2 0.05 -0.03 -0.01 -0.04 1.64 1.61 2qu7A1 LEU 253 HB3 0.05 0.09 -0.06 -0.04 1.64 1.67 2qu7A1 LEU 253 HG 0.16 -0.12 0.05 -0.04 1.64 1.69 2qu7A1 LEU 253 HD13 0.11 0.00 -0.01 -0.04 0.93 1.00 2qu7A1 LEU 253 HD23 0.17 0.05 -0.07 -0.04 0.89 1.00 2qu7A1 LEU 254 H -0.02 0.01 -0.25 -0.55 8.37 7.55 2qu7A1 LEU 254 HA -0.04 0.18 0.46 -0.75 4.35 4.19 2qu7A1 LEU 254 HB2 -0.07 -0.08 -0.01 -0.04 1.64 1.44 2qu7A1 LEU 254 HB3 -0.08 0.09 -0.03 -0.04 1.64 1.58 2qu7A1 LEU 254 HG -0.03 -0.17 -0.09 -0.04 1.64 1.31 2qu7A1 LEU 254 HD13 -0.09 -0.01 -0.45 -0.04 0.93 0.35 2qu7A1 LEU 254 HD23 -0.02 0.11 -0.08 -0.04 0.89 0.86 2qu7A1 LEU 255 H -0.08 0.41 -0.20 -0.55 8.37 7.95 2qu7A1 LEU 255 HA -0.10 0.07 0.41 -0.75 4.35 3.98 2qu7A1 LEU 255 HB2 -0.06 -0.02 0.10 -0.04 1.64 1.62 2qu7A1 LEU 255 HB3 -0.17 0.05 0.18 -0.04 1.64 1.66 2qu7A1 LEU 255 HG -0.21 0.02 -0.30 -0.04 1.64 1.11 2qu7A1 LEU 255 HD13 -0.10 0.01 -0.09 -0.04 0.93 0.70 2qu7A1 LEU 255 HD23 -0.07 -0.02 -0.06 -0.04 0.89 0.70 2qu7A1 LEU 256 H -0.25 0.54 -0.05 -0.55 8.37 8.06 2qu7A1 LEU 256 HA -0.24 0.05 0.44 -0.75 4.35 3.84 2qu7A1 LEU 256 HB2 -0.33 -0.01 0.15 -0.04 1.64 1.41 2qu7A1 LEU 256 HB3 -0.15 0.05 0.22 -0.04 1.64 1.72 2qu7A1 LEU 256 HG -0.10 0.03 -0.25 -0.04 1.64 1.27 2qu7A1 LEU 256 HD13 -0.22 -0.00 0.01 -0.04 0.93 0.69 2qu7A1 LEU 256 HD23 -0.07 -0.02 0.00 -0.04 0.89 0.76 2qu7A1 GLY 257 H -0.07 0.45 -0.12 -0.55 8.43 8.14 2qu7A1 GLY 257 HA2 0.01 -0.02 0.45 -0.51 4.01 3.94 2qu7A1 GLY 257 HA3 -0.01 0.19 0.34 -0.51 4.01 4.03 2qu7A1 ALA 258 H -0.08 0.44 -0.29 -0.55 8.40 7.93 2qu7A1 ALA 258 HA -0.08 0.09 0.37 -0.75 4.34 3.97 2qu7A1 ALA 258 HB3 -0.09 0.02 0.05 -0.04 1.41 1.34 2qu7A1 LEU 259 H -0.11 0.58 -0.07 -0.55 8.37 8.23 2qu7A1 LEU 259 HA -0.04 0.05 0.43 -0.75 4.35 4.03 2qu7A1 LEU 259 HB2 -0.19 0.03 0.13 -0.04 1.64 1.58 2qu7A1 LEU 259 HB3 -0.14 0.01 0.00 -0.04 1.64 1.47 2qu7A1 LEU 259 HG -0.19 0.13 -0.01 -0.04 1.64 1.54 2qu7A1 LEU 259 HD13 -0.57 -0.04 -0.12 -0.04 0.93 0.16 2qu7A1 LEU 259 HD23 -0.14 0.01 -0.07 -0.04 0.89 0.64 2qu7A1 GLN 260 H -0.04 0.52 -0.11 -0.55 8.47 8.30 2qu7A1 GLN 260 HA 0.02 0.03 0.52 -0.75 4.36 4.17 2qu7A1 GLN 260 HB2 0.11 0.13 0.14 -0.04 2.15 2.49 2qu7A1 GLN 260 HB3 0.03 -0.04 -0.00 -0.04 2.02 1.97 2qu7A1 GLN 260 HG2 -0.06 -0.03 0.03 -0.04 2.40 2.30 2qu7A1 GLN 260 HG3 -0.06 0.26 0.07 -0.04 2.39 2.63 2qu7A1 GLN 260 HE21 -0.08 -0.07 -0.05 -0.04 6.97 6.73 2qu7A1 GLN 260 HE22 -0.08 0.01 -0.04 -0.04 7.69 7.54 2qu7A1 ALA 261 H 0.08 0.48 -0.14 -0.55 8.40 8.27 2qu7A1 ALA 261 HA 0.04 -0.02 0.36 -0.75 4.34 3.97 2qu7A1 ALA 261 HB3 -0.21 0.02 0.13 -0.04 1.41 1.31 2qu7A1 ILE 262 H -0.02 0.52 -0.18 -0.55 8.25 8.03 2qu7A1 ILE 262 HA -0.02 -0.03 0.33 -0.75 4.18 3.71 2qu7A1 ILE 262 HB 0.00 0.04 0.12 -0.04 1.89 2.01 2qu7A1 ILE 262 HG12 -0.03 -0.03 -0.11 -0.04 1.49 1.28 2qu7A1 ILE 262 HG13 -0.05 0.03 -0.03 -0.04 1.21 1.12 2qu7A1 ILE 262 HG23 0.02 -0.01 -0.21 -0.04 0.93 0.69 2qu7A1 ILE 262 HD13 -0.04 -0.04 -0.22 -0.04 0.88 0.54 2qu7A1 LYS 263 H 0.03 0.48 -0.12 -0.55 8.42 8.26 2qu7A1 LYS 263 HA 0.03 0.08 0.44 -0.75 4.32 4.12 2qu7A1 LYS 263 HB2 0.06 -0.01 0.14 -0.04 1.87 2.01 2qu7A1 LYS 263 HB3 0.03 -0.02 0.16 -0.04 1.79 1.93 2qu7A1 LYS 263 HG2 0.01 -0.05 -0.09 -0.04 1.46 1.30 2qu7A1 LYS 263 HG3 0.01 0.07 0.06 -0.04 1.46 1.56 2qu7A1 LYS 263 HD2 0.04 -0.05 0.01 -0.04 1.69 1.64 2qu7A1 LYS 263 HD3 0.00 -0.06 -0.00 -0.04 1.68 1.57 2qu7A1 LYS 263 HE2 -0.01 0.07 0.03 -0.04 2.99 3.04 2qu7A1 LYS 263 HE3 0.00 0.01 0.03 -0.04 2.99 2.99 2qu7A1 GLU 264 H 0.05 0.46 -0.08 -0.55 8.60 8.48 2qu7A1 GLU 264 HA 0.03 -0.05 0.41 -0.75 4.29 3.92 2qu7A1 GLU 264 HB2 0.11 -0.07 0.10 -0.04 2.09 2.18 2qu7A1 GLU 264 HB3 0.07 0.10 0.11 -0.04 1.99 2.23 2qu7A1 GLU 264 HG2 0.04 0.01 -0.21 -0.04 2.34 2.14 2qu7A1 GLU 264 HG3 0.05 -0.05 0.03 -0.04 2.34 2.33 2qu7A1 SER 265 H 0.00 0.38 -0.23 -0.55 8.46 8.06 2qu7A1 SER 265 HA -0.01 -0.02 0.51 -0.75 4.49 4.21 2qu7A1 SER 265 HB2 -0.02 -0.12 0.14 -0.04 3.95 3.91 2qu7A1 SER 265 HB3 -0.03 0.04 0.11 -0.04 3.93 4.01 2qu7A1 GLU 266 H -0.00 0.05 0.15 -0.55 8.60 8.25 2qu7A1 GLU 266 HA 0.00 0.15 0.50 -0.75 4.29 4.19 2qu7A1 GLU 266 HB2 0.00 -0.03 0.04 -0.04 2.09 2.06 2qu7A1 GLU 266 HB3 0.00 -0.02 0.12 -0.04 1.99 2.05 2qu7A1 GLU 266 HG2 -0.00 -0.03 0.12 -0.04 2.34 2.39 2qu7A1 GLU 266 HG3 -0.00 -0.02 0.06 -0.04 2.34 2.34 2qu7A1 LYS 267 H 0.00 -0.01 -0.45 -0.55 8.42 7.42 2qu7A1 LYS 267 HA 0.01 -0.04 -0.01 -0.75 4.32 3.53 2qu7A1 LYS 267 HB2 0.00 0.05 -0.02 -0.04 1.87 1.87 2qu7A1 LYS 267 HB3 0.02 -0.04 -0.08 -0.04 1.79 1.64 2qu7A1 LYS 267 HG2 0.01 -0.02 -0.02 -0.04 1.46 1.38 2qu7A1 LYS 267 HG3 -0.00 -0.08 0.03 -0.04 1.46 1.37 2qu7A1 LYS 267 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.59 2qu7A1 LYS 267 HD3 0.01 0.05 -0.06 -0.04 1.68 1.65 2qu7A1 LYS 267 HE2 0.00 -0.04 -0.00 -0.04 2.99 2.91 2qu7A1 LYS 267 HE3 -0.01 -0.06 -0.02 -0.04 2.99 2.86 2qu7A1 GLU 268 H 0.03 0.05 0.16 -0.55 8.60 8.29 2qu7A1 GLU 268 HA 0.02 0.27 0.97 -0.75 4.29 4.80 2qu7A1 GLU 268 HB2 0.03 -0.13 0.09 -0.04 2.09 2.04 2qu7A1 GLU 268 HB3 0.02 0.07 0.07 -0.04 1.99 2.11 2qu7A1 GLU 268 HG2 0.02 -0.00 -0.01 -0.04 2.34 2.30 2qu7A1 GLU 268 HG3 0.01 -0.04 0.02 -0.04 2.34 2.29 2qu7A1 ILE 269 H 0.02 0.21 0.17 -0.55 8.25 8.11 2qu7A1 ILE 269 HA -0.01 0.23 0.57 -0.75 4.18 4.22 2qu7A1 ILE 269 HB 0.03 0.01 0.17 -0.04 1.89 2.06 2qu7A1 ILE 269 HG12 0.00 -0.00 -0.08 -0.04 1.49 1.36 2qu7A1 ILE 269 HG13 0.03 -0.00 0.02 -0.04 1.21 1.22 2qu7A1 ILE 269 HG23 -0.03 0.00 0.01 -0.04 0.93 0.87 2qu7A1 ILE 269 HD13 0.10 0.00 -0.00 -0.04 0.88 0.94 2qu7A1 LYS 270 H -0.10 0.80 0.40 -0.55 8.42 8.96 2qu7A1 LYS 270 HA -0.17 0.14 0.34 -0.75 4.32 3.88 2qu7A1 LYS 270 HB2 0.01 0.31 0.52 -0.04 1.87 2.67 2qu7A1 LYS 270 HB3 0.02 -0.16 0.23 -0.04 1.79 1.84 2qu7A1 LYS 270 HG2 -0.07 0.27 0.12 -0.04 1.46 1.74 2qu7A1 LYS 270 HG3 -0.03 -0.14 -0.33 -0.04 1.46 0.92 2qu7A1 LYS 270 HD2 -0.01 -0.11 -0.04 -0.04 1.69 1.50 2qu7A1 LYS 270 HD3 0.00 -0.06 0.00 -0.04 1.68 1.59 2qu7A1 LYS 270 HE2 0.01 -0.11 -0.00 -0.04 2.99 2.84 2qu7A1 LYS 270 HE3 0.01 -0.10 -0.03 -0.04 2.99 2.83 2qu7A1 LYS 271 H 0.09 0.31 -0.29 -0.55 8.42 7.97 2qu7A1 LYS 271 HA 0.18 0.14 0.94 -0.75 4.32 4.83 2qu7A1 LYS 271 HB2 0.06 -0.00 -0.08 -0.04 1.87 1.82 2qu7A1 LYS 271 HB3 0.06 -0.03 0.16 -0.04 1.79 1.94 2qu7A1 LYS 271 HG2 0.05 0.03 -0.18 -0.04 1.46 1.32 2qu7A1 LYS 271 HG3 0.04 -0.01 0.02 -0.04 1.46 1.47 2qu7A1 LYS 271 HD2 0.03 0.00 0.00 -0.04 1.69 1.68 2qu7A1 LYS 271 HD3 0.03 -0.04 0.01 -0.04 1.68 1.64 2qu7A1 LYS 271 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 2qu7A1 LYS 271 HE3 0.01 0.00 -0.01 -0.04 2.99 2.96 2qu7A1 ASP 272 H 0.10 0.55 0.32 -0.55 8.40 8.82 2qu7A1 ASP 272 HA 0.09 0.16 0.67 -0.75 4.63 4.79 2qu7A1 ASP 272 HB2 0.05 -0.04 0.07 -0.04 2.71 2.75 2qu7A1 ASP 272 HB3 0.04 0.06 0.05 -0.04 2.70 2.81 2qu7A1 VAL 273 H 0.11 0.16 0.10 -0.55 8.24 8.06 2qu7A1 VAL 273 HA 0.14 0.28 0.66 -0.75 4.13 4.46 2qu7A1 VAL 273 HB 0.04 0.14 -0.31 -0.04 2.12 1.94 2qu7A1 VAL 273 HG13 -0.00 -0.04 -0.31 -0.04 0.97 0.57 2qu7A1 VAL 273 HG23 -0.01 0.01 -0.20 -0.04 0.95 0.71 2qu7A1 ILE 274 H -0.09 0.68 0.28 -0.55 8.25 8.57 2qu7A1 ILE 274 HA -0.21 0.18 0.81 -0.75 4.18 4.21 2qu7A1 ILE 274 HB -0.28 -0.01 0.11 -0.04 1.89 1.68 2qu7A1 ILE 274 HG12 -0.37 0.13 0.09 -0.04 1.49 1.29 2qu7A1 ILE 274 HG13 -0.15 -0.17 0.08 -0.04 1.21 0.93 2qu7A1 ILE 274 HG23 -0.99 -0.01 -0.34 -0.04 0.93 -0.45 2qu7A1 ILE 274 HD13 -0.20 0.02 -0.04 -0.04 0.88 0.61 2qu7A1 ILE 275 H -0.11 0.65 0.19 -0.55 8.25 8.43 2qu7A1 ILE 275 HA -0.05 0.25 0.90 -0.75 4.18 4.52 2qu7A1 ILE 275 HB -0.05 0.07 -0.29 -0.04 1.89 1.57 2qu7A1 ILE 275 HG12 -0.05 -0.10 -0.30 -0.04 1.49 1.00 2qu7A1 ILE 275 HG13 -0.04 0.13 -0.04 -0.04 1.21 1.22 2qu7A1 ILE 275 HG23 -0.05 -0.01 -0.09 -0.04 0.93 0.73 2qu7A1 ILE 275 HD13 -0.07 -0.02 -0.15 -0.04 0.88 0.59 2qu7A1 VAL 276 H -0.02 0.69 0.35 -0.55 8.24 8.71 2qu7A1 VAL 276 HA -0.03 0.20 0.70 -0.75 4.13 4.25 2qu7A1 VAL 276 HB 0.01 0.02 0.11 -0.04 2.12 2.21 2qu7A1 VAL 276 HG13 -0.02 -0.02 -0.18 -0.04 0.97 0.70 2qu7A1 VAL 276 HG23 -0.04 0.01 -0.12 -0.04 0.95 0.75 2qu7A1 GLY 277 H -0.01 0.60 0.26 -0.55 8.43 8.74 2qu7A1 GLY 277 HA2 0.09 0.22 1.01 -0.51 4.01 4.81 2qu7A1 GLY 277 HA3 0.03 -0.00 0.32 -0.51 4.01 3.84 2qu7A1 PHE 278 H 0.20 0.17 0.12 -0.55 8.34 8.27 2qu7A1 PHE 278 HA -0.04 0.09 0.91 -0.75 4.62 4.83 2qu7A1 PHE 278 HB2 -0.06 -0.14 -0.34 -0.04 3.15 2.57 2qu7A1 PHE 278 HB3 -0.09 -0.07 -0.19 -0.04 3.06 2.67 2qu7A1 PHE 278 HD2 -0.07 0.02 -0.32 -0.04 7.28 6.87 2qu7A1 PHE 278 HE2 -0.03 0.00 -0.13 -0.04 7.38 7.18 2qu7A1 PHE 278 HZ -0.00 -0.03 -0.34 -0.04 7.32 6.92 2qu7A1 ASP 279 H -0.06 0.69 0.15 -0.55 8.40 8.63 2qu7A1 ASP 279 HA 0.00 -0.10 0.44 -0.75 4.63 4.21 2qu7A1 ASP 279 HB2 0.16 0.22 0.38 -0.04 2.71 3.42 2qu7A1 ASP 279 HB3 0.05 0.04 0.07 -0.04 2.70 2.82 2qu7A1 ASP 280 H 0.00 -0.01 0.21 -0.55 8.40 8.05 2qu7A1 ASP 280 HA -0.02 0.14 0.59 -0.75 4.63 4.58 2qu7A1 ASP 280 HB2 -0.05 -0.05 0.13 -0.04 2.71 2.70 2qu7A1 ASP 280 HB3 -0.13 0.06 -0.00 -0.04 2.70 2.59 2qu7A1 SER 281 H -0.04 0.36 0.22 -0.55 8.46 8.46 2qu7A1 SER 281 HA -0.12 0.10 0.46 -0.75 4.49 4.18 2qu7A1 SER 281 HB2 0.05 0.14 -0.06 -0.04 3.95 4.04 2qu7A1 SER 281 HB3 0.26 0.06 -0.02 -0.04 3.93 4.18 2qu7A1 TYR 282 H -0.08 0.20 0.15 -0.55 8.29 8.00 2qu7A1 TYR 282 HA -0.06 0.16 0.57 -0.75 4.56 4.49 2qu7A1 TYR 282 HB2 -0.26 0.00 0.14 -0.04 3.06 2.90 2qu7A1 TYR 282 HB3 -0.24 0.10 0.06 -0.04 2.98 2.86 2qu7A1 TYR 282 HD2 -0.09 0.00 0.04 -0.04 7.15 7.06 2qu7A1 TYR 282 HE2 -0.05 0.03 -0.02 -0.04 6.85 6.77 2qu7A1 TRP 283 H 0.03 0.06 -0.12 -0.55 7.97 7.40 2qu7A1 TRP 283 HA 0.13 0.15 0.38 -0.75 4.62 4.53 2qu7A1 TRP 283 HB2 0.12 -0.04 0.00 -0.04 3.23 3.27 2qu7A1 TRP 283 HB3 0.10 0.11 0.00 -0.04 3.23 3.39 2qu7A1 TRP 283 HD1 0.19 -0.06 0.04 -0.04 7.22 7.34 2qu7A1 TRP 283 HE1 0.10 0.01 0.01 -0.04 10.20 10.28 2qu7A1 TRP 283 HE3 0.14 0.01 -0.01 -0.04 7.59 7.69 2qu7A1 TRP 283 HZ2 0.06 0.01 -0.01 -0.04 7.44 7.46 2qu7A1 TRP 283 HZ3 0.07 0.07 -0.04 -0.04 7.13 7.20 2qu7A1 TRP 283 HH2 0.05 0.05 -0.02 -0.04 7.19 7.23 2qu7A1 ASN 284 H 0.19 0.25 -0.58 -0.55 8.53 7.84 2qu7A1 ASN 284 HA 0.15 0.06 0.17 -0.75 4.76 4.39 2qu7A1 ASN 284 HB2 0.07 0.07 0.13 -0.04 2.88 3.11 2qu7A1 ASN 284 HB3 0.06 0.18 0.03 -0.04 2.79 3.02 2qu7A1 ASN 284 HD21 0.10 0.29 0.03 -0.04 7.03 7.40 2qu7A1 ASN 284 HD22 0.03 -0.09 0.10 -0.04 7.74 7.73 2qu7A1 GLU 285 H 0.13 0.20 -0.07 -0.55 8.60 8.32 2qu7A1 GLU 285 HA 0.08 0.09 0.50 -0.75 4.29 4.21 2qu7A1 GLU 285 HB2 0.11 0.03 0.09 -0.04 2.09 2.28 2qu7A1 GLU 285 HB3 0.07 0.06 0.05 -0.04 1.99 2.13 2qu7A1 GLU 285 HG2 0.05 0.05 0.02 -0.04 2.34 2.42 2qu7A1 GLU 285 HG3 0.07 -0.08 0.03 -0.04 2.34 2.31 2qu7A1 ILE 286 H 0.18 0.12 -0.30 -0.55 8.25 7.69 2qu7A1 ILE 286 HA 0.09 0.21 0.76 -0.75 4.18 4.48 2qu7A1 ILE 286 HB 0.11 0.00 0.04 -0.04 1.89 1.99 2qu7A1 ILE 286 HG12 0.14 0.08 0.06 -0.04 1.49 1.74 2qu7A1 ILE 286 HG13 0.33 0.10 -0.09 -0.04 1.21 1.51 2qu7A1 ILE 286 HG23 0.03 -0.02 -0.09 -0.04 0.93 0.80 2qu7A1 ILE 286 HD13 -0.08 -0.05 -0.10 -0.04 0.88 0.61 2qu7A1 TYR 287 H 0.31 0.15 -0.04 -0.55 8.29 8.16 2qu7A1 TYR 287 HA 0.12 -0.01 0.41 -0.75 4.56 4.34 2qu7A1 TYR 287 HB2 0.15 0.04 0.08 -0.04 3.06 3.29 2qu7A1 TYR 287 HB3 0.07 0.07 -0.03 -0.04 2.98 3.05 2qu7A1 TYR 287 HD2 0.04 0.11 -0.16 -0.04 7.15 7.09 2qu7A1 TYR 287 HE2 -0.05 0.00 -0.05 -0.04 6.85 6.71 2qu7A1 THR 288 H -0.85 0.12 0.09 -0.55 8.28 7.08 2qu7A1 THR 288 HA -0.04 0.10 0.86 -0.75 4.39 4.55 2qu7A1 THR 288 HB -0.22 -0.03 0.15 -0.04 4.32 4.18 2qu7A1 THR 288 HG23 -0.06 -0.00 -0.08 -0.04 1.22 1.04 2qu7A1 PRO 289 HA 0.02 0.07 0.31 -0.51 4.44 4.34 2qu7A1 PRO 289 HB2 0.03 -0.03 -0.15 -0.04 2.28 2.09 2qu7A1 PRO 289 HB3 0.02 0.09 0.02 -0.04 2.02 2.10 2qu7A1 PRO 289 HG2 0.08 -0.07 -0.15 -0.04 2.03 1.85 2qu7A1 PRO 289 HG3 0.03 0.09 -0.07 -0.04 2.03 2.04 2qu7A1 PRO 289 HD2 0.15 0.09 0.38 -0.04 3.68 4.26 2qu7A1 PRO 289 HD3 0.03 0.13 0.15 -0.04 3.65 3.92 2qu7A1 LYS 290 H 0.05 0.08 0.09 -0.55 8.42 8.09 2qu7A1 LYS 290 HA 0.14 0.22 0.45 -0.75 4.32 4.38 2qu7A1 LYS 290 HB2 0.04 -0.18 0.14 -0.04 1.87 1.83 2qu7A1 LYS 290 HB3 0.06 0.02 0.06 -0.04 1.79 1.89 2qu7A1 LYS 290 HG2 0.07 0.27 -0.04 -0.04 1.46 1.72 2qu7A1 LYS 290 HG3 0.05 -0.06 0.09 -0.04 1.46 1.50 2qu7A1 LYS 290 HD2 0.03 -0.08 0.04 -0.04 1.69 1.64 2qu7A1 LYS 290 HD3 0.04 -0.06 0.08 -0.04 1.68 1.71 2qu7A1 LYS 290 HE2 0.04 0.21 0.13 -0.04 2.99 3.32 2qu7A1 LYS 290 HE3 0.03 -0.03 0.05 -0.04 2.99 3.00 2qu7A1 LEU 291 H 0.10 0.61 0.29 -0.55 8.37 8.83 2qu7A1 LEU 291 HA 0.03 0.03 0.42 -0.75 4.35 4.08 2qu7A1 LEU 291 HB2 0.03 -0.12 0.12 -0.04 1.64 1.63 2qu7A1 LEU 291 HB3 -0.02 0.03 -0.10 -0.04 1.64 1.50 2qu7A1 LEU 291 HG 0.09 0.16 0.00 -0.04 1.64 1.85 2qu7A1 LEU 291 HD13 -0.28 -0.04 -0.11 -0.04 0.93 0.46 2qu7A1 LEU 291 HD23 -0.09 0.01 -0.12 -0.04 0.89 0.64 2qu7A1 THR 292 H -0.01 0.09 0.28 -0.55 8.28 8.09 2qu7A1 THR 292 HA -0.02 0.28 0.78 -0.75 4.39 4.67 2qu7A1 THR 292 HB -0.04 0.14 0.20 -0.04 4.32 4.59 2qu7A1 THR 292 HG23 -0.04 0.04 -0.11 -0.04 1.22 1.07 2qu7A1 VAL 293 H -0.05 0.45 0.29 -0.55 8.24 8.38 2qu7A1 VAL 293 HA -0.06 0.20 0.73 -0.75 4.13 4.24 2qu7A1 VAL 293 HB -0.06 -0.07 -0.40 -0.04 2.12 1.55 2qu7A1 VAL 293 HG13 0.01 0.02 -0.44 -0.04 0.97 0.51 2qu7A1 VAL 293 HG23 -0.04 -0.01 -0.36 -0.04 0.95 0.50 2qu7A1 ILE 294 H -0.33 0.61 0.27 -0.55 8.25 8.24 2qu7A1 ILE 294 HA -0.25 0.17 0.77 -0.75 4.18 4.12 2qu7A1 ILE 294 HB -1.48 -0.06 0.17 -0.04 1.89 0.48 2qu7A1 ILE 294 HG12 -0.48 0.06 -0.04 -0.04 1.49 0.98 2qu7A1 ILE 294 HG13 -0.92 0.02 -0.11 -0.04 1.21 0.16 2qu7A1 ILE 294 HG23 -0.44 -0.04 -0.23 -0.04 0.93 0.18 2qu7A1 ILE 294 HD13 -0.18 -0.02 -0.08 -0.04 0.88 0.56 2qu7A1 SER 295 H -0.13 1.04 0.36 -0.55 8.46 9.18 2qu7A1 SER 295 HA -0.07 -0.08 0.77 -0.75 4.49 4.36 2qu7A1 SER 295 HB2 -0.06 0.05 0.03 -0.04 3.95 3.93 2qu7A1 SER 295 HB3 -0.05 0.08 0.15 -0.04 3.93 4.06 2qu7A1 GLN 296 H -0.01 0.03 0.23 -0.55 8.47 8.17 2qu7A1 GLN 296 HA 0.01 0.24 0.88 -0.75 4.36 4.73 2qu7A1 GLN 296 HB2 0.21 -0.07 0.07 -0.04 2.15 2.32 2qu7A1 GLN 296 HB3 0.16 0.08 -0.03 -0.04 2.02 2.19 2qu7A1 GLN 296 HG2 -0.07 0.07 -0.20 -0.04 2.40 2.16 2qu7A1 GLN 296 HG3 -0.10 -0.08 0.00 -0.04 2.39 2.17 2qu7A1 GLN 296 HE21 -0.52 0.02 -0.02 -0.04 6.97 6.41 2qu7A1 GLN 296 HE22 -0.26 -0.04 -0.03 -0.04 7.69 7.31 2qu7A1 PRO 297 HA 0.01 0.11 0.43 -0.51 4.44 4.47 2qu7A1 PRO 297 HB2 0.01 -0.10 0.21 -0.04 2.28 2.36 2qu7A1 PRO 297 HB3 0.01 0.16 0.11 -0.04 2.02 2.26 2qu7A1 PRO 297 HG2 0.04 -0.03 0.05 -0.04 2.03 2.05 2qu7A1 PRO 297 HG3 0.02 0.41 0.10 -0.04 2.03 2.51 2qu7A1 PRO 297 HD2 0.08 0.04 -0.02 -0.04 3.68 3.74 2qu7A1 PRO 297 HD3 0.03 0.18 0.13 -0.04 3.65 3.95 2qu7A1 VAL 298 H 0.01 0.43 0.24 -0.55 8.24 8.37 2qu7A1 VAL 298 HA -0.04 0.05 0.20 -0.75 4.13 3.58 2qu7A1 VAL 298 HB -0.15 0.04 -0.10 -0.04 2.12 1.86 2qu7A1 VAL 298 HG13 -0.01 0.05 0.01 -0.04 0.97 0.98 2qu7A1 VAL 298 HG23 -0.06 0.03 0.01 -0.04 0.95 0.89 2qu7A1 LYS 299 H -0.04 0.09 -0.08 -0.55 8.42 7.84 2qu7A1 LYS 299 HA -0.06 0.12 0.45 -0.75 4.32 4.09 2qu7A1 LYS 299 HB2 -0.03 -0.06 0.10 -0.04 1.87 1.83 2qu7A1 LYS 299 HB3 -0.04 0.10 -0.05 -0.04 1.79 1.77 2qu7A1 LYS 299 HG2 -0.06 0.06 0.03 -0.04 1.46 1.45 2qu7A1 LYS 299 HG3 -0.05 -0.05 0.02 -0.04 1.46 1.34 2qu7A1 LYS 299 HD2 -0.05 0.04 -0.01 -0.04 1.69 1.63 2qu7A1 LYS 299 HD3 -0.04 -0.02 0.00 -0.04 1.68 1.59 2qu7A1 LYS 299 HE2 -0.03 -0.02 -0.03 -0.04 2.99 2.87 2qu7A1 LYS 299 HE3 -0.06 0.02 -0.02 -0.04 2.99 2.89 2qu7A1 GLU 300 H -0.02 0.07 -0.11 -0.55 8.60 8.00 2qu7A1 GLU 300 HA -0.01 0.10 0.48 -0.75 4.29 4.10 2qu7A1 GLU 300 HB2 -0.00 -0.00 0.11 -0.04 2.09 2.15 2qu7A1 GLU 300 HB3 0.00 0.05 0.09 -0.04 1.99 2.09 2qu7A1 GLU 300 HG2 0.00 -0.01 -0.09 -0.04 2.34 2.21 2qu7A1 GLU 300 HG3 -0.00 0.03 0.05 -0.04 2.34 2.38 2qu7A1 MET 301 H -0.00 0.57 -0.16 -0.55 8.47 8.33 2qu7A1 MET 301 HA 0.01 0.02 0.24 -0.75 4.52 4.03 2qu7A1 MET 301 HB2 0.05 0.03 -0.01 -0.04 2.15 2.17 2qu7A1 MET 301 HB3 -0.02 0.01 0.04 -0.04 2.03 2.02 2qu7A1 MET 301 HG2 -0.00 0.03 -0.26 -0.04 2.63 2.36 2qu7A1 MET 301 HG3 0.05 0.01 -0.08 -0.04 2.56 2.49 2qu7A1 MET 301 HE3 0.22 -0.01 -0.21 -0.04 2.10 2.05 2qu7A1 GLY 302 H -0.06 0.60 -0.12 -0.55 8.43 8.30 2qu7A1 GLY 302 HA2 -0.11 -0.01 0.39 -0.51 4.01 3.77 2qu7A1 GLY 302 HA3 -0.09 0.06 0.28 -0.51 4.01 3.75 2qu7A1 GLN 303 H -0.04 0.58 -0.06 -0.55 8.47 8.40 2qu7A1 GLN 303 HA -0.02 0.08 0.49 -0.75 4.36 4.16 2qu7A1 GLN 303 HB2 -0.01 -0.00 0.11 -0.04 2.15 2.20 2qu7A1 GLN 303 HB3 -0.01 0.01 0.18 -0.04 2.02 2.15 2qu7A1 GLN 303 HG2 -0.00 -0.02 -0.11 -0.04 2.40 2.23 2qu7A1 GLN 303 HG3 -0.00 -0.02 -0.06 -0.04 2.39 2.27 2qu7A1 GLN 303 HE21 0.03 0.01 -0.01 -0.04 6.97 6.96 2qu7A1 GLN 303 HE22 0.02 0.01 0.03 -0.04 7.69 7.71 2qu7A1 VAL 304 H -0.01 0.71 0.03 -0.55 8.24 8.42 2qu7A1 VAL 304 HA 0.01 0.02 0.45 -0.75 4.13 3.86 2qu7A1 VAL 304 HB 0.01 0.05 0.05 -0.04 2.12 2.19 2qu7A1 VAL 304 HG13 0.01 -0.01 -0.06 -0.04 0.97 0.87 2qu7A1 VAL 304 HG23 0.01 0.01 0.04 -0.04 0.95 0.96 2qu7A1 ALA 305 H -0.02 0.60 -0.20 -0.55 8.40 8.22 2qu7A1 ALA 305 HA -0.00 0.01 0.46 -0.75 4.34 4.05 2qu7A1 ALA 305 HB3 -0.05 -0.01 0.05 -0.04 1.41 1.36 2qu7A1 ALA 306 H -0.04 0.60 -0.10 -0.55 8.40 8.32 2qu7A1 ALA 306 HA -0.02 -0.00 0.49 -0.75 4.34 4.05 2qu7A1 ALA 306 HB3 -0.03 0.03 0.15 -0.04 1.41 1.52 2qu7A1 LYS 307 H 0.01 0.42 -0.26 -0.55 8.42 8.04 2qu7A1 LYS 307 HA 0.09 0.06 0.44 -0.75 4.32 4.16 2qu7A1 LYS 307 HB2 0.03 0.06 0.17 -0.04 1.87 2.09 2qu7A1 LYS 307 HB3 0.05 -0.03 0.02 -0.04 1.79 1.79 2qu7A1 LYS 307 HG2 0.04 -0.01 -0.03 -0.04 1.46 1.41 2qu7A1 LYS 307 HG3 0.02 0.28 0.02 -0.04 1.46 1.73 2qu7A1 LYS 307 HD2 0.02 -0.05 -0.04 -0.04 1.69 1.58 2qu7A1 LYS 307 HD3 0.03 0.00 -0.02 -0.04 1.68 1.65 2qu7A1 LYS 307 HE2 0.01 0.03 -0.04 -0.04 2.99 2.94 2qu7A1 LYS 307 HE3 0.00 -0.03 -0.10 -0.04 2.99 2.82 2qu7A1 MET 308 H 0.02 0.61 0.02 -0.55 8.47 8.58 2qu7A1 MET 308 HA 0.02 0.01 0.43 -0.75 4.52 4.23 2qu7A1 MET 308 HB2 0.01 0.08 0.17 -0.04 2.15 2.38 2qu7A1 MET 308 HB3 0.02 -0.03 -0.05 -0.04 2.03 1.92 2qu7A1 MET 308 HG2 0.02 -0.02 0.03 -0.04 2.63 2.62 2qu7A1 MET 308 HG3 0.02 0.21 0.09 -0.04 2.56 2.84 2qu7A1 MET 308 HE3 0.02 0.01 -0.23 -0.04 2.10 1.86 2qu7A1 ILE 309 H 0.02 0.69 -0.19 -0.55 8.25 8.22 2qu7A1 ILE 309 HA 0.00 0.00 0.18 -0.75 4.18 3.61 2qu7A1 ILE 309 HB -0.00 -0.01 -0.01 -0.04 1.89 1.83 2qu7A1 ILE 309 HG12 -0.01 -0.07 -0.22 -0.04 1.49 1.15 2qu7A1 ILE 309 HG13 0.00 0.05 -0.11 -0.04 1.21 1.11 2qu7A1 ILE 309 HG23 0.01 0.02 -0.10 -0.04 0.93 0.82 2qu7A1 ILE 309 HD13 0.00 -0.00 -0.18 -0.04 0.88 0.66 2qu7A1 TYR 310 H 0.12 0.37 -0.44 -0.55 8.29 7.79 2qu7A1 TYR 310 HA -0.09 0.07 0.46 -0.75 4.56 4.24 2qu7A1 TYR 310 HB2 -0.09 0.05 0.08 -0.04 3.06 3.06 2qu7A1 TYR 310 HB3 -0.09 0.09 0.13 -0.04 2.98 3.07 2qu7A1 TYR 310 HD2 -0.20 -0.00 -0.05 -0.04 7.15 6.85 2qu7A1 TYR 310 HE2 -0.23 0.01 -0.03 -0.04 6.85 6.56 2qu7A1 LYS 311 H 0.03 0.53 -0.05 -0.55 8.42 8.37 2qu7A1 LYS 311 HA -0.17 0.01 0.44 -0.75 4.32 3.85 2qu7A1 LYS 311 HB2 -0.00 0.14 0.17 -0.04 1.87 2.14 2qu7A1 LYS 311 HB3 -0.03 0.01 -0.16 -0.04 1.79 1.56 2qu7A1 LYS 311 HG2 -0.01 -0.05 0.01 -0.04 1.46 1.37 2qu7A1 LYS 311 HG3 0.04 0.04 0.01 -0.04 1.46 1.52 2qu7A1 LYS 311 HD2 0.02 -0.03 -0.05 -0.04 1.69 1.58 2qu7A1 LYS 311 HD3 0.00 0.06 -0.04 -0.04 1.68 1.66 2qu7A1 LYS 311 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 2qu7A1 LYS 311 HE3 0.04 0.01 -0.05 -0.04 2.99 2.95 2qu7A1 LEU 312 H -0.04 0.47 -0.21 -0.55 8.37 8.05 2qu7A1 LEU 312 HA -0.04 0.10 0.47 -0.75 4.35 4.12 2qu7A1 LEU 312 HB2 -0.02 0.08 0.09 -0.04 1.64 1.75 2qu7A1 LEU 312 HB3 -0.01 -0.03 -0.04 -0.04 1.64 1.52 2qu7A1 LEU 312 HG -0.01 0.05 -0.02 -0.04 1.64 1.62 2qu7A1 LEU 312 HD13 0.01 -0.04 -0.16 -0.04 0.93 0.70 2qu7A1 LEU 312 HD23 0.00 0.02 0.04 -0.04 0.89 0.91 2qu7A1 ILE 313 H -0.09 0.58 -0.05 -0.55 8.25 8.14 2qu7A1 ILE 313 HA -0.06 0.09 0.51 -0.75 4.18 3.96 2qu7A1 ILE 313 HB -0.19 0.06 0.19 -0.04 1.89 1.90 2qu7A1 ILE 313 HG12 -0.02 0.21 0.01 -0.04 1.49 1.64 2qu7A1 ILE 313 HG13 -0.03 0.07 0.08 -0.04 1.21 1.29 2qu7A1 ILE 313 HG23 -0.08 -0.01 -0.07 -0.04 0.93 0.72 2qu7A1 ILE 313 HD13 0.03 -0.07 -0.16 -0.04 0.88 0.65 2qu7A1 LYS 314 H -0.28 0.33 -0.48 -0.55 8.42 7.44 2qu7A1 LYS 314 HA -0.17 0.09 0.63 -0.75 4.32 4.11 2qu7A1 LYS 314 HB2 -0.30 0.04 0.13 -0.04 1.87 1.70 2qu7A1 LYS 314 HB3 -0.18 -0.10 0.12 -0.04 1.79 1.58 2qu7A1 LYS 314 HG2 -1.00 0.19 0.01 -0.04 1.46 0.62 2qu7A1 LYS 314 HG3 -0.46 -0.11 0.00 -0.04 1.46 0.85 2qu7A1 LYS 314 HD2 -0.17 -0.03 0.04 -0.04 1.69 1.50 2qu7A1 LYS 314 HD3 -0.26 0.08 -0.20 -0.04 1.68 1.25 2qu7A1 LYS 314 HE2 -0.27 -0.02 -0.03 -0.04 2.99 2.64 2qu7A1 LYS 314 HE3 -0.07 -0.07 -0.00 -0.04 2.99 2.80 2qu7A1 GLY 315 H -0.09 0.50 -0.29 -0.55 8.43 8.00 2qu7A1 GLY 315 HA2 -0.04 0.04 0.33 -0.51 4.01 3.83 2qu7A1 GLY 315 HA3 -0.04 -0.01 0.40 -0.51 4.01 3.85 2qu7A1 LYS 316 H -0.07 0.57 -0.04 -0.55 8.42 8.33 2qu7A1 LYS 316 HA -0.03 0.09 0.75 -0.75 4.32 4.38 2qu7A1 LYS 316 HB2 -0.06 0.03 0.01 -0.04 1.87 1.81 2qu7A1 LYS 316 HB3 -0.03 -0.05 0.04 -0.04 1.79 1.71 2qu7A1 LYS 316 HG2 -0.07 0.11 -0.14 -0.04 1.46 1.32 2qu7A1 LYS 316 HG3 -0.04 -0.07 -0.01 -0.04 1.46 1.30 2qu7A1 LYS 316 HD2 -0.03 0.10 -0.04 -0.04 1.69 1.68 2qu7A1 LYS 316 HD3 -0.03 0.00 -0.04 -0.04 1.68 1.57 2qu7A1 LYS 316 HE2 -0.01 -0.03 0.02 -0.04 2.99 2.92 2qu7A1 LYS 316 HE3 -0.01 -0.05 0.07 -0.04 2.99 2.95 2qu7A1 ASP 317 H -0.01 0.08 0.12 -0.55 8.40 8.04 2qu7A1 ASP 317 HA -0.00 0.10 0.47 -0.75 4.63 4.44 2qu7A1 ASP 317 HB2 -0.00 0.02 0.08 -0.04 2.71 2.77 2qu7A1 ASP 317 HB3 0.00 -0.04 0.09 -0.04 2.70 2.70 2qu7A1 VAL 318 H 0.00 0.23 0.20 -0.55 8.24 8.12 2qu7A1 VAL 318 HA 0.01 0.14 0.90 -0.75 4.13 4.42 2qu7A1 VAL 318 HB 0.01 -0.00 0.07 -0.04 2.12 2.16 2qu7A1 VAL 318 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.82 2qu7A1 VAL 318 HG23 -0.00 0.09 -0.20 -0.04 0.95 0.79 2qu7A1 THR 319 H 0.01 0.16 0.11 -0.55 8.28 8.01 2qu7A1 THR 319 HA 0.02 0.20 1.03 -0.75 4.39 4.88 2qu7A1 THR 319 HB 0.02 0.04 0.10 -0.04 4.32 4.43 2qu7A1 THR 319 HG23 0.01 0.00 -0.08 -0.04 1.22 1.11 2qu7A1 SER 320 H 0.02 0.11 0.17 -0.55 8.46 8.21 2qu7A1 SER 320 HA 0.03 0.14 0.60 -0.75 4.49 4.50 2qu7A1 SER 320 HB2 0.03 -0.02 0.14 -0.04 3.95 4.06 2qu7A1 SER 320 HB3 0.03 0.02 -0.02 -0.04 3.93 3.92 2qu7A1 ILE 321 H 0.03 0.53 0.44 -0.55 8.25 8.70 2qu7A1 ILE 321 HA 0.02 0.19 0.95 -0.75 4.18 4.59 2qu7A1 ILE 321 HB 0.03 -0.07 0.14 -0.04 1.89 1.95 2qu7A1 ILE 321 HG12 0.02 0.17 -0.21 -0.04 1.49 1.43 2qu7A1 ILE 321 HG13 0.02 -0.03 -0.03 -0.04 1.21 1.13 2qu7A1 ILE 321 HG23 0.02 -0.02 -0.16 -0.04 0.93 0.73 2qu7A1 ILE 321 HD13 0.02 0.01 -0.04 -0.04 0.88 0.82 2qu7A1 LYS 322 H 0.02 0.28 0.16 -0.55 8.42 8.33 2qu7A1 LYS 322 HA 0.04 0.20 0.83 -0.75 4.32 4.64 2qu7A1 LYS 322 HB2 0.03 0.02 -0.16 -0.04 1.87 1.72 2qu7A1 LYS 322 HB3 0.02 0.02 0.04 -0.04 1.79 1.83 2qu7A1 LYS 322 HG2 0.03 0.04 -0.35 -0.04 1.46 1.13 2qu7A1 LYS 322 HG3 0.04 -0.03 -0.44 -0.04 1.46 0.98 2qu7A1 LYS 322 HD2 0.02 0.04 -0.09 -0.04 1.69 1.62 2qu7A1 LYS 322 HD3 0.03 -0.14 -0.12 -0.04 1.68 1.41 2qu7A1 LYS 322 HE2 0.03 0.05 -0.12 -0.04 2.99 2.91 2qu7A1 LYS 322 HE3 0.03 -0.01 -0.05 -0.04 2.99 2.91 2qu7A1 LEU 323 H 0.04 0.58 0.38 -0.55 8.37 8.83 2qu7A1 LEU 323 HA 0.02 0.23 0.88 -0.75 4.35 4.73 2qu7A1 LEU 323 HB2 0.04 -0.06 0.04 -0.04 1.64 1.62 2qu7A1 LEU 323 HB3 0.02 -0.02 0.16 -0.04 1.64 1.77 2qu7A1 LEU 323 HG 0.03 0.04 -0.17 -0.04 1.64 1.50 2qu7A1 LEU 323 HD13 0.03 -0.01 -0.11 -0.04 0.93 0.79 2qu7A1 LEU 323 HD23 0.02 0.04 -0.12 -0.04 0.89 0.79 2qu7A1 SER 324 H 0.02 0.21 0.21 -0.55 8.46 8.35 2qu7A1 SER 324 HA 0.02 0.01 0.97 -0.75 4.49 4.74 2qu7A1 SER 324 HB2 0.01 -0.00 0.15 -0.04 3.95 4.07 2qu7A1 SER 324 HB3 0.01 0.17 0.08 -0.04 3.93 4.15 2qu7A1 THR 325 H 0.01 0.07 0.17 -0.55 8.28 7.98 2qu7A1 THR 325 HA -0.02 0.14 0.87 -0.75 4.39 4.63 2qu7A1 THR 325 HB -0.10 0.10 0.08 -0.04 4.32 4.37 2qu7A1 THR 325 HG23 -0.01 -0.05 -0.05 -0.04 1.22 1.07 2qu7A1 LYS 326 H -0.06 0.55 0.32 -0.55 8.42 8.67 2qu7A1 LYS 326 HA -0.03 0.16 0.58 -0.75 4.32 4.28 2qu7A1 LYS 326 HB2 -0.02 0.08 0.07 -0.04 1.87 1.96 2qu7A1 LYS 326 HB3 -0.02 0.10 -0.15 -0.04 1.79 1.67 2qu7A1 LYS 326 HG2 -0.03 -0.07 -0.09 -0.04 1.46 1.24 2qu7A1 LYS 326 HG3 -0.04 -0.05 -0.18 -0.04 1.46 1.15 2qu7A1 LYS 326 HD2 -0.02 0.09 -0.08 -0.04 1.69 1.64 2qu7A1 LYS 326 HD3 -0.01 0.02 -0.08 -0.04 1.68 1.57 2qu7A1 LYS 326 HE2 -0.02 -0.08 -0.08 -0.04 2.99 2.76 2qu7A1 LYS 326 HE3 -0.02 -0.01 -0.08 -0.04 2.99 2.84 2qu7A1 LEU 327 H -0.04 0.22 0.13 -0.55 8.37 8.13 2qu7A1 LEU 327 HA -0.10 0.11 0.73 -0.75 4.35 4.33 2qu7A1 LEU 327 HB2 -0.07 -0.02 -0.01 -0.04 1.64 1.50 2qu7A1 LEU 327 HB3 -0.04 0.02 0.12 -0.04 1.64 1.70 2qu7A1 LEU 327 HG -0.05 -0.03 -0.42 -0.04 1.64 1.10 2qu7A1 LEU 327 HD13 -0.08 0.02 -0.25 -0.04 0.93 0.58 2qu7A1 LEU 327 HD23 -0.04 0.03 -0.12 -0.04 0.89 0.72 2qu7A1 ILE 328 H -0.07 0.68 0.34 -0.55 8.25 8.65 2qu7A1 ILE 328 HA -0.03 0.19 0.92 -0.75 4.18 4.51 2qu7A1 ILE 328 HB -0.03 -0.07 0.17 -0.04 1.89 1.92 2qu7A1 ILE 328 HG12 -0.05 -0.00 -0.04 -0.04 1.49 1.36 2qu7A1 ILE 328 HG13 -0.03 -0.06 -0.03 -0.04 1.21 1.04 2qu7A1 ILE 328 HG23 -0.01 0.02 -0.15 -0.04 0.93 0.75 2qu7A1 ILE 328 HD13 -0.03 0.03 -0.16 -0.04 0.88 0.68 2qu7A1 ILE 329 H -0.02 0.23 0.01 -0.55 8.25 7.92 2qu7A1 ILE 329 HA -0.03 -0.02 0.54 -0.75 4.18 3.92 2qu7A1 ILE 329 HB -0.01 -0.00 0.14 -0.04 1.89 1.97 2qu7A1 ILE 329 HG12 -0.03 0.03 -0.07 -0.04 1.49 1.38 2qu7A1 ILE 329 HG13 -0.03 -0.09 -0.12 -0.04 1.21 0.93 2qu7A1 ILE 329 HG23 -0.01 0.03 -0.14 -0.04 0.93 0.77 2qu7A1 ILE 329 HD13 -0.01 0.02 -0.02 -0.04 0.88 0.82 2qu7A1 ARG 330 H -0.01 0.00 0.07 -0.55 8.46 7.96 2qu7A1 ARG 330 HA 0.00 0.24 0.71 -0.75 4.34 4.54 2qu7A1 ARG 330 HB2 0.01 -0.09 -0.40 -0.04 1.90 1.38 2qu7A1 ARG 330 HB3 0.02 0.02 -0.03 -0.04 1.80 1.77 2qu7A1 ARG 330 HG2 0.01 0.08 -0.23 -0.04 1.67 1.49 2qu7A1 ARG 330 HG3 0.00 0.03 -0.42 -0.04 1.67 1.24 2qu7A1 ARG 330 HD2 0.03 0.21 -0.26 -0.04 3.22 3.16 2qu7A1 ARG 330 HD3 0.04 0.01 -0.13 -0.04 3.22 3.10 2qu7A1 GLU 331 H 0.01 0.43 0.13 -0.55 8.60 8.63 2qu7A1 GLU 331 HA -0.01 0.26 0.84 -0.75 4.29 4.63 2qu7A1 GLU 331 HB2 0.03 -0.01 0.17 -0.04 2.09 2.24 2qu7A1 GLU 331 HB3 0.01 0.05 0.04 -0.04 1.99 2.05 2qu7A1 GLU 331 HG2 0.01 0.08 -0.01 -0.04 2.34 2.37 2qu7A1 GLU 331 HG3 0.01 -0.05 -0.17 -0.04 2.34 2.09 2qu7A1 SER 332 H -0.00 0.11 0.26 -0.55 8.46 8.28 2qu7A1 SER 332 HA -0.03 0.16 0.25 -0.75 4.49 4.11 2qu7A1 SER 332 HB2 -0.02 -0.02 0.14 -0.04 3.95 4.01 2qu7A1 SER 332 HB3 0.03 0.09 -0.07 -0.04 3.93 3.93 2qu7A1 CYS 333 H -0.06 0.06 -0.50 -0.55 8.50 7.45 2qu7A1 CYS 333 HA -0.12 0.07 0.47 -0.75 4.58 4.24 2qu7A1 CYS 333 HB2 -0.07 0.05 -0.01 -0.04 2.97 2.91 2qu7A1 CYS 333 HB3 -0.06 -0.04 -0.03 -0.04 2.97 2.80 2qu7A1 SER 334 H -0.12 0.34 -0.16 -0.55 8.46 7.97 2qu7A1 SER 334 HA -0.16 0.13 0.71 -0.75 4.49 4.42 2qu7A1 SER 334 HB2 -0.00 0.07 0.09 -0.04 3.95 4.06 2qu7A1 SER 334 HB3 -0.03 0.00 -0.14 -0.04 3.93 3.72 2qu7A1 PHE 335 H 0.05 0.09 0.14 -0.55 8.34 8.07 2qu7A1 PHE 335 HA 0.00 0.16 0.71 -0.75 4.62 4.73 2qu7A1 PHE 335 HB2 -0.00 -0.07 0.12 -0.04 3.15 3.16 2qu7A1 PHE 335 HB3 -0.00 0.12 0.05 -0.04 3.06 3.19 2qu7A1 PHE 335 HD2 -0.01 0.05 -0.16 -0.04 7.28 7.13 2qu7A1 PHE 335 HE2 -0.01 -0.06 -0.30 -0.04 7.38 6.96 2qu7A1 PHE 335 HZ -0.01 0.09 -0.08 -0.04 7.32 7.28 2qu7A1 ASN 336 H 0.15 0.55 0.26 -0.55 8.53 8.94 2qu7A1 ASN 336 HA 0.07 0.25 0.90 -0.75 4.76 5.23 2qu7A1 ASN 336 HB2 0.04 -0.04 0.09 -0.04 2.88 2.93 2qu7A1 ASN 336 HB3 0.04 0.02 0.02 -0.04 2.79 2.82 2qu7A1 ASN 336 HD21 0.03 -0.00 -0.02 -0.04 7.03 7.00 2qu7A1 ASN 336 HD22 0.02 -0.03 0.02 -0.04 7.74 7.71