============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 2 1.000 61.491 104.975 26.345 -99.200 -91.000 PHE 11 1.000 64.420 89.233 21.984 -99.200 -91.000 PHE 12 1.000 66.425 83.514 30.275 -99.200 -91.000 TYR 20 0.840 75.131 71.146 28.775 -99.200 -91.000 PHE 29 1.000 78.472 81.357 10.021 -99.200 -91.000 PHE 47 1.000 75.308 79.411 23.469 -99.200 -91.000 PHE 59 1.000 58.144 91.919 5.963 -99.200 -91.000 TYR 68 0.840 66.808 87.980 17.379 -99.200 -91.000 TYR 69 0.840 70.904 95.120 15.820 -99.200 -91.000 TYR 80 0.840 60.979 71.889 15.242 -99.200 -91.000 TYR 87 0.840 69.906 89.586 5.173 -99.200 -91.000 TRP 98 1.040 74.963 76.840 13.106 -99.200 -91.000 TRP6 98 1.020 73.467 77.253 11.326 -99.200 -91.000 PHE 99 1.000 73.699 73.324 20.810 -99.200 -91.000 PHE 108 1.000 66.659 69.909 25.256 -99.200 -91.000 PHE 116 1.000 61.543 72.553 32.405 -99.200 -91.000 PHE 119 1.000 59.713 74.370 27.512 -99.200 -91.000 TYR 122 0.840 61.574 78.589 21.257 -99.200 -91.000 TYR 128 0.840 60.743 93.238 21.882 -99.200 -91.000 TYR 129 0.840 59.903 90.069 18.274 -99.200 -91.000 TYR 139 0.840 44.883 105.010 20.285 -99.200 -91.000 PHE 149 1.000 30.531 100.823 9.010 -99.200 -91.000 TYR 150 0.840 28.882 95.938 18.695 -99.200 -91.000 TYR 164 0.840 20.286 93.572 14.529 -99.200 -91.000 HIS 182 0.900 44.347 108.091 2.238 -99.200 -91.000 HIS 183 0.900 41.349 108.581 -0.598 -99.200 -91.000 TYR 209 0.840 23.296 92.052 4.107 -99.200 -91.000 HIS 216 0.900 35.681 86.967 15.943 -99.200 -91.000 TYR 223 0.840 40.194 93.588 34.385 -99.200 -91.000 TYR 224 0.840 40.450 98.515 33.801 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2h6bB1 ASP 9 HA 0.09 0.01 0.22 -0.75 4.63 4.19 2h6bB1 ASP 9 HB2 0.05 0.08 0.08 -0.04 2.71 2.88 2h6bB1 ASP 9 HB3 0.10 -0.30 0.00 -0.04 2.70 2.46 2h6bB1 PHE 10 H 0.22 0.15 0.11 -0.55 8.34 8.27 2h6bB1 PHE 10 HA 0.03 0.11 0.49 -0.75 4.62 4.49 2h6bB1 PHE 10 HB2 0.01 0.05 0.12 -0.04 3.15 3.29 2h6bB1 PHE 10 HB3 0.01 -0.03 0.13 -0.04 3.06 3.13 2h6bB1 PHE 10 HD2 0.01 -0.01 -0.12 -0.04 7.28 7.13 2h6bB1 PHE 10 HE2 0.01 0.01 -0.04 -0.04 7.38 7.32 2h6bB1 PHE 10 HZ 0.01 0.01 -0.02 -0.04 7.32 7.28 2h6bB1 CYS 11 H 0.17 0.06 -0.25 -0.55 8.50 7.93 2h6bB1 CYS 11 HA -0.01 0.06 0.54 -0.75 4.58 4.42 2h6bB1 CYS 11 HB2 0.03 0.07 0.03 -0.04 2.97 3.06 2h6bB1 CYS 11 HB3 0.00 0.02 0.04 -0.04 2.97 2.99 2h6bB1 GLY 12 H 0.04 0.39 -0.24 -0.55 8.43 8.07 2h6bB1 GLY 12 HA2 0.03 0.36 0.41 -0.51 4.01 4.29 2h6bB1 GLY 12 HA3 0.20 0.09 0.31 -0.51 4.01 4.10 2h6bB1 ALA 13 H -0.11 0.23 -0.38 -0.55 8.40 7.59 2h6bB1 ALA 13 HA -0.04 0.09 0.69 -0.75 4.34 4.32 2h6bB1 ALA 13 HB3 -0.24 0.01 0.09 -0.04 1.41 1.23 2h6bB1 ILE 14 H -0.13 0.43 -0.15 -0.55 8.25 7.85 2h6bB1 ILE 14 HA -0.04 0.12 0.73 -0.75 4.18 4.23 2h6bB1 ILE 14 HB -0.09 0.13 0.15 -0.04 1.89 2.05 2h6bB1 ILE 14 HG12 -0.13 -0.03 -0.04 -0.04 1.49 1.25 2h6bB1 ILE 14 HG13 -0.32 -0.04 -0.10 -0.04 1.21 0.71 2h6bB1 ILE 14 HG23 -0.03 -0.03 -0.09 -0.04 0.93 0.73 2h6bB1 ILE 14 HD13 -0.19 -0.03 0.00 -0.04 0.88 0.63 2h6bB1 ILE 15 H -0.03 0.51 0.12 -0.55 8.25 8.30 2h6bB1 ILE 15 HA 0.01 0.18 0.84 -0.75 4.18 4.46 2h6bB1 ILE 15 HB -0.06 -0.04 0.04 -0.04 1.89 1.79 2h6bB1 ILE 15 HG12 -0.05 0.05 -0.17 -0.04 1.49 1.29 2h6bB1 ILE 15 HG13 -0.04 -0.05 -0.26 -0.04 1.21 0.82 2h6bB1 ILE 15 HG23 -0.09 -0.03 -0.13 -0.04 0.93 0.65 2h6bB1 ILE 15 HD13 -0.03 -0.02 -0.04 -0.04 0.88 0.74 2h6bB1 PRO 16 HA -0.33 0.17 0.78 -0.51 4.44 4.55 2h6bB1 PRO 16 HB2 0.13 0.04 0.27 -0.04 2.28 2.68 2h6bB1 PRO 16 HB3 0.12 0.10 0.13 -0.04 2.02 2.34 2h6bB1 PRO 16 HG2 0.18 -0.07 -0.02 -0.04 2.03 2.08 2h6bB1 PRO 16 HG3 0.18 0.11 -0.07 -0.04 2.03 2.22 2h6bB1 PRO 16 HD2 0.25 -0.03 0.11 -0.04 3.68 3.97 2h6bB1 PRO 16 HD3 0.12 0.28 -0.12 -0.04 3.65 3.89 2h6bB1 ASP 17 H -0.43 0.37 -0.03 -0.55 8.40 7.77 2h6bB1 ASP 17 HA -0.11 0.27 0.91 -0.75 4.63 4.94 2h6bB1 ASP 17 HB2 -0.09 -0.03 -0.33 -0.04 2.71 2.21 2h6bB1 ASP 17 HB3 -0.15 0.04 -0.17 -0.04 2.70 2.38 2h6bB1 ASN 18 H -0.14 0.14 0.11 -0.55 8.53 8.09 2h6bB1 ASN 18 HA -0.13 -0.00 0.34 -0.75 4.76 4.21 2h6bB1 ASN 18 HB2 -0.11 -0.05 0.00 -0.04 2.88 2.69 2h6bB1 ASN 18 HB3 -0.15 0.07 -0.16 -0.04 2.79 2.51 2h6bB1 ASN 18 HD21 -0.07 -0.02 -0.01 -0.04 7.03 6.89 2h6bB1 ASN 18 HD22 -0.09 0.03 0.08 -0.04 7.74 7.73 2h6bB1 PHE 19 H -0.31 0.03 -0.14 -0.55 8.34 7.37 2h6bB1 PHE 19 HA -0.10 0.14 0.78 -0.75 4.62 4.69 2h6bB1 PHE 19 HB2 -0.23 -0.07 0.02 -0.04 3.15 2.83 2h6bB1 PHE 19 HB3 -0.08 0.04 -0.06 -0.04 3.06 2.91 2h6bB1 PHE 19 HD2 -0.50 -0.03 -0.05 -0.04 7.28 6.65 2h6bB1 PHE 19 HE2 -0.57 0.02 -0.05 -0.04 7.38 6.74 2h6bB1 PHE 19 HZ -0.70 0.05 -0.02 -0.04 7.32 6.62 2h6bB1 PHE 20 H 0.29 0.12 0.14 -0.55 8.34 8.34 2h6bB1 PHE 20 HA 0.03 0.05 0.34 -0.75 4.62 4.28 2h6bB1 PHE 20 HB2 0.05 0.01 0.13 -0.04 3.15 3.30 2h6bB1 PHE 20 HB3 0.03 -0.07 0.11 -0.04 3.06 3.09 2h6bB1 PHE 20 HD2 0.03 -0.02 -0.01 -0.04 7.28 7.23 2h6bB1 PHE 20 HE2 0.03 -0.06 0.02 -0.04 7.38 7.33 2h6bB1 PHE 20 HZ 0.04 -0.06 0.00 -0.04 7.32 7.25 2h6bB1 PRO 21 HA -0.03 0.22 0.35 -0.51 4.44 4.48 2h6bB1 PRO 21 HB2 -0.14 -0.11 0.00 -0.04 2.28 2.00 2h6bB1 PRO 21 HB3 -0.07 0.07 -0.01 -0.04 2.02 1.97 2h6bB1 PRO 21 HG2 -0.11 -0.00 -0.00 -0.04 2.03 1.87 2h6bB1 PRO 21 HG3 -0.08 0.03 -0.11 -0.04 2.03 1.83 2h6bB1 PRO 21 HD2 -0.27 0.04 0.08 -0.04 3.68 3.50 2h6bB1 PRO 21 HD3 -0.07 0.17 -0.39 -0.04 3.65 3.31 2h6bB1 ILE 22 H 0.12 0.70 0.19 -0.55 8.25 8.72 2h6bB1 ILE 22 HA -0.05 0.15 0.76 -0.75 4.18 4.29 2h6bB1 ILE 22 HB 0.08 -0.01 0.17 -0.04 1.89 2.09 2h6bB1 ILE 22 HG12 0.17 0.13 -0.20 -0.04 1.49 1.55 2h6bB1 ILE 22 HG13 0.12 0.15 -0.09 -0.04 1.21 1.35 2h6bB1 ILE 22 HG23 0.02 -0.08 -0.01 -0.04 0.93 0.83 2h6bB1 ILE 22 HD13 0.09 -0.04 -0.19 -0.04 0.88 0.70 2h6bB1 GLU 23 H 0.00 0.26 -0.15 -0.55 8.60 8.17 2h6bB1 GLU 23 HA 0.16 0.08 0.43 -0.75 4.29 4.21 2h6bB1 GLU 23 HB2 0.01 -0.04 0.07 -0.04 2.09 2.10 2h6bB1 GLU 23 HB3 0.03 0.03 -0.01 -0.04 1.99 2.01 2h6bB1 GLU 23 HG2 -0.01 0.04 0.01 -0.04 2.34 2.34 2h6bB1 GLU 23 HG3 0.01 0.03 0.03 -0.04 2.34 2.37 2h6bB1 LYS 24 H 0.03 0.11 -0.34 -0.55 8.42 7.66 2h6bB1 LYS 24 HA 0.01 0.09 0.13 -0.75 4.32 3.80 2h6bB1 LYS 24 HB2 0.04 0.01 0.04 -0.04 1.87 1.91 2h6bB1 LYS 24 HB3 0.08 0.02 -0.07 -0.04 1.79 1.78 2h6bB1 LYS 24 HG2 0.13 0.01 -0.02 -0.04 1.46 1.54 2h6bB1 LYS 24 HG3 0.02 0.02 0.03 -0.04 1.46 1.49 2h6bB1 LYS 24 HD2 0.05 0.01 -0.02 -0.04 1.69 1.69 2h6bB1 LYS 24 HD3 0.09 -0.02 -0.06 -0.04 1.68 1.66 2h6bB1 LYS 24 HE2 0.13 0.01 -0.03 -0.04 2.99 3.05 2h6bB1 LYS 24 HE3 0.04 0.02 -0.01 -0.04 2.99 2.99 2h6bB1 LEU 25 H -0.08 0.36 -0.32 -0.55 8.37 7.79 2h6bB1 LEU 25 HA 0.03 0.05 0.46 -0.75 4.35 4.13 2h6bB1 LEU 25 HB2 -0.52 0.23 0.08 -0.04 1.64 1.39 2h6bB1 LEU 25 HB3 -1.47 -0.00 -0.19 -0.04 1.64 -0.06 2h6bB1 LEU 25 HG -0.27 -0.02 -0.02 -0.04 1.64 1.29 2h6bB1 LEU 25 HD13 -0.42 0.01 -0.09 -0.04 0.93 0.38 2h6bB1 LEU 25 HD23 -0.47 -0.01 -0.02 -0.04 0.89 0.35 2h6bB1 ARG 26 H -0.04 0.53 -0.31 -0.55 8.46 8.08 2h6bB1 ARG 26 HA 0.20 0.01 0.51 -0.75 4.34 4.31 2h6bB1 ARG 26 HB2 0.26 0.12 0.19 -0.04 1.90 2.43 2h6bB1 ARG 26 HB3 0.07 0.00 0.05 -0.04 1.80 1.88 2h6bB1 ARG 26 HG2 0.13 -0.05 0.06 -0.04 1.67 1.77 2h6bB1 ARG 26 HG3 0.25 -0.02 0.06 -0.04 1.67 1.92 2h6bB1 ARG 26 HD2 0.09 0.01 0.02 -0.04 3.22 3.30 2h6bB1 ARG 26 HD3 0.05 0.00 -0.04 -0.04 3.22 3.19 2h6bB1 ASN 27 H -0.13 0.50 -0.26 -0.55 8.53 8.09 2h6bB1 ASN 27 HA -0.16 0.07 0.39 -0.75 4.76 4.31 2h6bB1 ASN 27 HB2 -0.78 0.12 0.03 -0.04 2.88 2.21 2h6bB1 ASN 27 HB3 -0.46 -0.03 0.12 -0.04 2.79 2.38 2h6bB1 ASN 27 HD21 -0.05 -0.01 -0.05 -0.04 7.03 6.89 2h6bB1 ASN 27 HD22 -0.08 -0.02 -0.18 -0.04 7.74 7.42 2h6bB1 TYR 28 H -0.00 0.49 -0.62 -0.55 8.29 7.61 2h6bB1 TYR 28 HA 0.04 0.22 0.96 -0.75 4.56 5.02 2h6bB1 TYR 28 HB2 -0.05 0.05 0.04 -0.04 3.06 3.07 2h6bB1 TYR 28 HB3 0.03 -0.05 0.14 -0.04 2.98 3.06 2h6bB1 TYR 28 HD2 -0.06 -0.01 -0.02 -0.04 7.15 7.02 2h6bB1 TYR 28 HE2 -0.02 -0.02 -0.11 -0.04 6.85 6.66 2h6bB1 THR 29 H 0.09 0.38 -0.18 -0.55 8.28 8.02 2h6bB1 THR 29 HA 0.14 0.03 0.18 -0.75 4.39 3.98 2h6bB1 THR 29 HB 0.07 -0.03 0.01 -0.04 4.32 4.33 2h6bB1 THR 29 HG23 0.22 0.01 0.02 -0.04 1.22 1.43 2h6bB1 GLN 30 H 0.06 0.10 -0.43 -0.55 8.47 7.67 2h6bB1 GLN 30 HA 0.01 0.12 0.41 -0.75 4.36 4.15 2h6bB1 GLN 30 HB2 0.04 0.01 0.01 -0.04 2.15 2.16 2h6bB1 GLN 30 HB3 0.02 0.03 0.02 -0.04 2.02 2.05 2h6bB1 GLN 30 HG2 0.01 0.02 0.01 -0.04 2.40 2.41 2h6bB1 GLN 30 HG3 0.02 -0.07 -0.05 -0.04 2.39 2.25 2h6bB1 GLN 30 HE21 0.00 -0.00 -0.01 -0.04 6.97 6.92 2h6bB1 GLN 30 HE22 0.00 -0.01 -0.01 -0.04 7.69 7.64 2h6bB1 MET 31 H 0.13 0.37 -0.26 -0.55 8.47 8.16 2h6bB1 MET 31 HA 0.04 0.10 0.64 -0.75 4.52 4.55 2h6bB1 MET 31 HB2 0.22 0.17 0.07 -0.04 2.15 2.57 2h6bB1 MET 31 HB3 0.10 -0.04 0.09 -0.04 2.03 2.13 2h6bB1 MET 31 HG2 0.06 -0.01 -0.02 -0.04 2.63 2.62 2h6bB1 MET 31 HG3 0.11 -0.08 -0.07 -0.04 2.56 2.48 2h6bB1 MET 31 HE3 0.32 -0.02 0.02 -0.04 2.10 2.39 2h6bB1 GLY 32 H -0.07 0.26 -0.38 -0.55 8.43 7.69 2h6bB1 GLY 32 HA2 -0.20 0.07 0.85 -0.51 4.01 4.22 2h6bB1 GLY 32 HA3 -0.74 -0.06 0.19 -0.51 4.01 2.90 2h6bB1 LEU 33 H -0.14 0.47 0.28 -0.55 8.37 8.43 2h6bB1 LEU 33 HA -0.06 0.18 0.95 -0.75 4.35 4.67 2h6bB1 LEU 33 HB2 -0.05 0.00 0.09 -0.04 1.64 1.64 2h6bB1 LEU 33 HB3 -0.05 -0.10 0.17 -0.04 1.64 1.62 2h6bB1 LEU 33 HG -0.08 0.01 0.03 -0.04 1.64 1.56 2h6bB1 LEU 33 HD13 -0.18 -0.02 -0.02 -0.04 0.93 0.67 2h6bB1 LEU 33 HD23 -0.11 -0.01 -0.08 -0.04 0.89 0.65 2h6bB1 ILE 34 H -0.03 0.19 0.16 -0.55 8.25 8.02 2h6bB1 ILE 34 HA 0.06 0.20 0.79 -0.75 4.18 4.48 2h6bB1 ILE 34 HB -0.01 -0.02 0.15 -0.04 1.89 1.96 2h6bB1 ILE 34 HG12 0.00 0.04 -0.02 -0.04 1.49 1.47 2h6bB1 ILE 34 HG13 0.01 -0.01 -0.01 -0.04 1.21 1.17 2h6bB1 ILE 34 HG23 0.01 -0.01 -0.15 -0.04 0.93 0.74 2h6bB1 ILE 34 HD13 0.07 0.00 -0.06 -0.04 0.88 0.85 2h6bB1 ARG 35 H 0.13 0.66 0.34 -0.55 8.46 9.04 2h6bB1 ARG 35 HA -0.16 0.10 0.79 -0.75 4.34 4.32 2h6bB1 ARG 35 HB2 0.19 -0.07 -0.01 -0.04 1.90 1.97 2h6bB1 ARG 35 HB3 -0.38 0.06 -0.07 -0.04 1.80 1.36 2h6bB1 ARG 35 HG2 -0.23 0.23 -0.38 -0.04 1.67 1.25 2h6bB1 ARG 35 HG3 -0.46 -0.01 -0.27 -0.04 1.67 0.90 2h6bB1 ARG 35 HD2 -0.45 0.02 -0.03 -0.04 3.22 2.73 2h6bB1 ARG 35 HD3 -0.38 0.00 -0.04 -0.04 3.22 2.76 2h6bB1 ASP 36 H -0.25 0.18 0.19 -0.55 8.40 7.97 2h6bB1 ASP 36 HA 0.03 0.36 1.06 -0.75 4.63 5.32 2h6bB1 ASP 36 HB2 -0.11 -0.01 0.11 -0.04 2.71 2.66 2h6bB1 ASP 36 HB3 -0.04 0.00 -0.01 -0.04 2.70 2.61 2h6bB1 PHE 37 H 0.17 0.69 0.38 -0.55 8.34 9.02 2h6bB1 PHE 37 HA 0.02 0.10 0.87 -0.75 4.62 4.85 2h6bB1 PHE 37 HB2 0.05 -0.03 0.07 -0.04 3.15 3.20 2h6bB1 PHE 37 HB3 0.04 0.05 -0.07 -0.04 3.06 3.03 2h6bB1 PHE 37 HD2 0.08 0.00 -0.21 -0.04 7.28 7.12 2h6bB1 PHE 37 HE2 0.22 0.03 -0.08 -0.04 7.38 7.50 2h6bB1 PHE 37 HZ 0.02 0.00 -0.05 -0.04 7.32 7.26 2h6bB1 ALA 38 H 0.08 0.14 0.10 -0.55 8.40 8.17 2h6bB1 ALA 38 HA 0.05 0.01 0.58 -0.75 4.34 4.23 2h6bB1 ALA 38 HB3 0.04 0.02 0.08 -0.04 1.41 1.51 2h6bB1 LYS 39 H 0.04 0.07 0.02 -0.55 8.42 7.99 2h6bB1 LYS 39 HA 0.04 0.11 0.24 -0.75 4.32 3.97 2h6bB1 LYS 39 HB2 0.03 -0.05 0.02 -0.04 1.87 1.83 2h6bB1 LYS 39 HB3 0.03 -0.01 -0.00 -0.04 1.79 1.77 2h6bB1 LYS 39 HG2 0.03 0.04 -0.20 -0.04 1.46 1.28 2h6bB1 LYS 39 HG3 0.02 0.10 -0.39 -0.04 1.46 1.15 2h6bB1 LYS 39 HD2 0.02 -0.06 -0.02 -0.04 1.69 1.59 2h6bB1 LYS 39 HD3 0.02 -0.02 -0.08 -0.04 1.68 1.56 2h6bB1 LYS 39 HE2 0.02 0.11 0.03 -0.04 2.99 3.11 2h6bB1 LYS 39 HE3 0.01 -0.01 0.06 -0.04 2.99 3.02 2h6bB1 GLY 40 H 0.04 0.55 0.25 -0.55 8.43 8.72 2h6bB1 GLY 40 HA2 0.03 -0.01 0.36 -0.51 4.01 3.89 2h6bB1 GLY 40 HA3 0.04 0.03 0.51 -0.51 4.01 4.08 2h6bB1 SER 41 H 0.08 0.47 -0.43 -0.55 8.46 8.03 2h6bB1 SER 41 HA 0.09 0.08 0.59 -0.75 4.49 4.50 2h6bB1 SER 41 HB2 0.22 0.12 0.01 -0.04 3.95 4.27 2h6bB1 SER 41 HB3 0.29 0.04 -0.03 -0.04 3.93 4.18 2h6bB1 ALA 42 H 0.12 0.15 0.15 -0.55 8.40 8.26 2h6bB1 ALA 42 HA 0.00 0.16 0.61 -0.75 4.34 4.36 2h6bB1 ALA 42 HB3 0.10 0.01 -0.06 -0.04 1.41 1.43 2h6bB1 VAL 43 H -0.18 0.57 0.31 -0.55 8.24 8.39 2h6bB1 VAL 43 HA -1.05 0.11 0.59 -0.75 4.13 3.03 2h6bB1 VAL 43 HB -0.27 -0.05 -0.14 -0.04 2.12 1.62 2h6bB1 VAL 43 HG13 -0.24 -0.01 -0.20 -0.04 0.97 0.49 2h6bB1 VAL 43 HG23 -0.68 -0.01 -0.18 -0.04 0.95 0.04 2h6bB1 ILE 44 H -0.08 0.33 0.15 -0.55 8.25 8.11 2h6bB1 ILE 44 HA 0.13 0.17 0.74 -0.75 4.18 4.46 2h6bB1 ILE 44 HB -0.04 -0.18 0.00 -0.04 1.89 1.63 2h6bB1 ILE 44 HG12 0.05 0.10 -0.13 -0.04 1.49 1.47 2h6bB1 ILE 44 HG13 -0.08 -0.12 -0.39 -0.04 1.21 0.57 2h6bB1 ILE 44 HG23 0.05 0.07 -0.14 -0.04 0.93 0.87 2h6bB1 ILE 44 HD13 -0.13 -0.00 -0.14 -0.04 0.88 0.57 2h6bB1 MET 45 H 0.10 0.14 0.02 -0.55 8.47 8.18 2h6bB1 MET 45 HA 0.12 0.09 0.48 -0.75 4.52 4.46 2h6bB1 MET 45 HB2 0.06 -0.04 0.03 -0.04 2.15 2.16 2h6bB1 MET 45 HB3 0.05 0.10 0.05 -0.04 2.03 2.19 2h6bB1 MET 45 HG2 0.08 -0.00 -0.03 -0.04 2.63 2.64 2h6bB1 MET 45 HG3 0.09 -0.01 -0.08 -0.04 2.56 2.52 2h6bB1 MET 45 HE3 0.07 0.01 0.00 -0.04 2.10 2.14 2h6bB1 PRO 46 HA 0.01 0.11 0.43 -0.51 4.44 4.47 2h6bB1 PRO 46 HB2 -0.09 0.02 0.06 -0.04 2.28 2.24 2h6bB1 PRO 46 HB3 -0.17 0.04 0.05 -0.04 2.02 1.89 2h6bB1 PRO 46 HG2 -0.23 0.05 0.06 -0.04 2.03 1.87 2h6bB1 PRO 46 HG3 -0.52 0.04 0.06 -0.04 2.03 1.57 2h6bB1 PRO 46 HD2 -0.01 0.09 0.19 -0.04 3.68 3.91 2h6bB1 PRO 46 HD3 0.09 0.11 0.23 -0.04 3.65 4.04 2h6bB1 GLY 47 H -0.01 0.11 0.15 -0.55 8.43 8.13 2h6bB1 GLY 47 HA2 -0.00 -0.04 0.32 -0.51 4.01 3.78 2h6bB1 GLY 47 HA3 -0.00 0.06 0.34 -0.51 4.01 3.90 2h6bB1 GLU 48 H 0.04 0.57 -0.43 -0.55 8.60 8.23 2h6bB1 GLU 48 HA 0.04 0.02 0.49 -0.75 4.29 4.09 2h6bB1 GLU 48 HB2 0.06 -0.02 0.03 -0.04 2.09 2.12 2h6bB1 GLU 48 HB3 0.08 -0.01 0.07 -0.04 1.99 2.09 2h6bB1 GLU 48 HG2 0.10 0.07 -0.26 -0.04 2.34 2.21 2h6bB1 GLU 48 HG3 0.06 -0.00 0.02 -0.04 2.34 2.38 2h6bB1 GLU 49 H 0.05 0.14 0.16 -0.55 8.60 8.40 2h6bB1 GLU 49 HA 0.04 0.08 0.73 -0.75 4.29 4.38 2h6bB1 GLU 49 HB2 0.03 0.02 0.09 -0.04 2.09 2.20 2h6bB1 GLU 49 HB3 0.04 -0.03 0.17 -0.04 1.99 2.14 2h6bB1 GLU 49 HG2 0.05 -0.00 -0.31 -0.04 2.34 2.03 2h6bB1 GLU 49 HG3 0.05 -0.00 -0.05 -0.04 2.34 2.29 2h6bB1 ILE 50 H 0.05 0.19 0.10 -0.55 8.25 8.04 2h6bB1 ILE 50 HA 0.15 0.07 0.75 -0.75 4.18 4.40 2h6bB1 ILE 50 HB 0.01 -0.01 0.10 -0.04 1.89 1.95 2h6bB1 ILE 50 HG12 0.07 0.11 -0.19 -0.04 1.49 1.44 2h6bB1 ILE 50 HG13 0.03 -0.04 -0.07 -0.04 1.21 1.09 2h6bB1 ILE 50 HG23 -0.04 0.03 -0.08 -0.04 0.93 0.80 2h6bB1 ILE 50 HD13 0.34 0.01 -0.14 -0.04 0.88 1.05 2h6bB1 THR 51 H 0.13 0.10 0.00 -0.55 8.28 7.96 2h6bB1 THR 51 HA -0.04 0.27 0.45 -0.75 4.39 4.32 2h6bB1 THR 51 HB 0.00 0.03 0.25 -0.04 4.32 4.55 2h6bB1 THR 51 HG23 0.06 -0.02 -0.26 -0.04 1.22 0.95 2h6bB1 SER 52 H -0.02 0.55 -0.08 -0.55 8.46 8.36 2h6bB1 SER 52 HA 0.03 0.16 0.74 -0.75 4.49 4.67 2h6bB1 SER 52 HB2 0.08 -0.04 -0.24 -0.04 3.95 3.71 2h6bB1 SER 52 HB3 0.18 -0.03 -0.22 -0.04 3.93 3.82 2h6bB1 MET 53 H 0.05 0.52 0.22 -0.55 8.47 8.71 2h6bB1 MET 53 HA -0.06 0.22 0.76 -0.75 4.52 4.67 2h6bB1 MET 53 HB2 0.07 -0.02 0.11 -0.04 2.15 2.27 2h6bB1 MET 53 HB3 0.00 0.03 -0.02 -0.04 2.03 2.01 2h6bB1 MET 53 HG2 -0.01 -0.06 -0.27 -0.04 2.63 2.25 2h6bB1 MET 53 HG3 0.00 0.02 -0.07 -0.04 2.56 2.47 2h6bB1 MET 53 HE3 0.25 0.00 -0.06 -0.04 2.10 2.24 2h6bB1 ILE 54 H -0.12 0.58 0.22 -0.55 8.25 8.39 2h6bB1 ILE 54 HA -0.32 0.20 0.95 -0.75 4.18 4.26 2h6bB1 ILE 54 HB -0.37 -0.10 0.08 -0.04 1.89 1.46 2h6bB1 ILE 54 HG12 -2.04 0.01 -0.26 -0.04 1.49 -0.83 2h6bB1 ILE 54 HG13 -0.64 0.08 -0.37 -0.04 1.21 0.25 2h6bB1 ILE 54 HG23 -0.63 0.00 -0.23 -0.04 0.93 0.03 2h6bB1 ILE 54 HD13 -0.84 -0.01 -0.14 -0.04 0.88 -0.15 2h6bB1 PHE 55 H 0.29 0.73 0.23 -0.55 8.34 9.03 2h6bB1 PHE 55 HA 0.05 0.23 0.85 -0.75 4.62 5.00 2h6bB1 PHE 55 HB2 0.33 -0.01 -0.02 -0.04 3.15 3.40 2h6bB1 PHE 55 HB3 0.28 -0.03 0.07 -0.04 3.06 3.34 2h6bB1 PHE 55 HD2 0.11 0.01 -0.19 -0.04 7.28 7.16 2h6bB1 PHE 55 HE2 0.05 0.02 -0.14 -0.04 7.38 7.27 2h6bB1 PHE 55 HZ 0.03 -0.01 -0.06 -0.04 7.32 7.24 2h6bB1 LEU 56 H -0.51 0.67 0.13 -0.55 8.37 8.11 2h6bB1 LEU 56 HA -0.14 0.13 0.64 -0.75 4.35 4.23 2h6bB1 LEU 56 HB2 -0.11 -0.02 -0.21 -0.04 1.64 1.26 2h6bB1 LEU 56 HB3 -0.21 0.06 0.07 -0.04 1.64 1.52 2h6bB1 LEU 56 HG -0.10 0.03 -0.66 -0.04 1.64 0.87 2h6bB1 LEU 56 HD13 -0.05 -0.04 -0.54 -0.04 0.93 0.26 2h6bB1 LEU 56 HD23 -0.03 -0.04 -0.41 -0.04 0.89 0.37 2h6bB1 VAL 57 H -0.11 0.46 0.21 -0.55 8.24 8.25 2h6bB1 VAL 57 HA -0.24 0.03 0.44 -0.75 4.13 3.61 2h6bB1 VAL 57 HB 0.02 0.03 0.07 -0.04 2.12 2.20 2h6bB1 VAL 57 HG13 0.06 -0.01 -0.10 -0.04 0.97 0.88 2h6bB1 VAL 57 HG23 0.17 0.01 -0.19 -0.04 0.95 0.90 2h6bB1 GLU 58 H -0.03 0.47 0.18 -0.55 8.60 8.68 2h6bB1 GLU 58 HA -0.04 0.09 0.80 -0.75 4.29 4.39 2h6bB1 GLU 58 HB2 -0.00 0.05 -0.28 -0.04 2.09 1.82 2h6bB1 GLU 58 HB3 0.01 -0.07 0.06 -0.04 1.99 1.95 2h6bB1 GLU 58 HG2 0.00 0.05 -0.15 -0.04 2.34 2.20 2h6bB1 GLU 58 HG3 -0.01 0.01 0.07 -0.04 2.34 2.37 2h6bB1 GLY 59 H -0.02 0.17 0.17 -0.55 8.43 8.20 2h6bB1 GLY 59 HA2 0.00 0.09 0.31 -0.51 4.01 3.91 2h6bB1 GLY 59 HA3 0.01 0.17 0.90 -0.51 4.01 4.58 2h6bB1 LYS 60 H 0.01 0.29 0.06 -0.55 8.42 8.23 2h6bB1 LYS 60 HA 0.01 0.34 0.90 -0.75 4.32 4.82 2h6bB1 LYS 60 HB2 0.01 -0.06 -0.24 -0.04 1.87 1.54 2h6bB1 LYS 60 HB3 0.03 -0.09 -0.05 -0.04 1.79 1.63 2h6bB1 LYS 60 HG2 -0.01 -0.01 -0.06 -0.04 1.46 1.33 2h6bB1 LYS 60 HG3 0.03 -0.01 -0.06 -0.04 1.46 1.38 2h6bB1 LYS 60 HD2 0.05 0.25 0.03 -0.04 1.69 1.97 2h6bB1 LYS 60 HD3 -0.00 -0.01 0.14 -0.04 1.68 1.76 2h6bB1 LYS 60 HE2 -0.04 -0.01 -0.04 -0.04 2.99 2.86 2h6bB1 LYS 60 HE3 -0.06 0.01 -0.06 -0.04 2.99 2.84 2h6bB1 ILE 61 H 0.04 0.68 0.34 -0.55 8.25 8.75 2h6bB1 ILE 61 HA -0.03 0.35 1.06 -0.75 4.18 4.80 2h6bB1 ILE 61 HB -0.02 -0.06 -0.01 -0.04 1.89 1.75 2h6bB1 ILE 61 HG12 -0.08 0.06 -0.17 -0.04 1.49 1.26 2h6bB1 ILE 61 HG13 -0.03 -0.10 -0.50 -0.04 1.21 0.54 2h6bB1 ILE 61 HG23 -0.14 -0.01 -0.31 -0.04 0.93 0.44 2h6bB1 ILE 61 HD13 -0.09 -0.00 -0.25 -0.04 0.88 0.50 2h6bB1 LYS 62 H -0.08 0.58 0.33 -0.55 8.42 8.69 2h6bB1 LYS 62 HA -0.29 0.15 0.94 -0.75 4.32 4.37 2h6bB1 LYS 62 HB2 0.04 0.00 0.08 -0.04 1.87 1.95 2h6bB1 LYS 62 HB3 -0.12 -0.02 0.21 -0.04 1.79 1.82 2h6bB1 LYS 62 HG2 -0.27 -0.01 -0.22 -0.04 1.46 0.92 2h6bB1 LYS 62 HG3 -0.39 0.03 -0.01 -0.04 1.46 1.05 2h6bB1 LYS 62 HD2 0.06 0.02 -0.04 -0.04 1.69 1.70 2h6bB1 LYS 62 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.60 2h6bB1 LYS 62 HE2 -0.10 -0.01 -0.12 -0.04 2.99 2.72 2h6bB1 LYS 62 HE3 0.01 0.02 -0.06 -0.04 2.99 2.91 2h6bB1 LEU 63 H -0.42 0.76 0.40 -0.55 8.37 8.56 2h6bB1 LEU 63 HA -0.36 0.21 1.16 -0.75 4.35 4.61 2h6bB1 LEU 63 HB2 -0.37 -0.07 -0.19 -0.04 1.64 0.97 2h6bB1 LEU 63 HB3 -0.81 0.06 0.10 -0.04 1.64 0.95 2h6bB1 LEU 63 HG -0.32 0.08 -0.07 -0.04 1.64 1.29 2h6bB1 LEU 63 HD13 -0.33 -0.02 -0.13 -0.04 0.93 0.41 2h6bB1 LEU 63 HD23 -0.51 -0.01 -0.27 -0.04 0.89 0.06 2h6bB1 ASP 64 H -0.32 0.81 0.46 -0.55 8.40 8.80 2h6bB1 ASP 64 HA -0.16 -0.00 1.05 -0.75 4.63 4.77 2h6bB1 ASP 64 HB2 -0.07 -0.01 -0.04 -0.04 2.71 2.55 2h6bB1 ASP 64 HB3 0.02 0.09 -0.07 -0.04 2.70 2.70 2h6bB1 ILE 65 H -0.09 0.78 0.37 -0.55 8.25 8.76 2h6bB1 ILE 65 HA -0.15 0.25 1.17 -0.75 4.18 4.69 2h6bB1 ILE 65 HB -0.20 -0.03 -0.00 -0.04 1.89 1.62 2h6bB1 ILE 65 HG12 -0.91 -0.03 -0.33 -0.04 1.49 0.18 2h6bB1 ILE 65 HG13 -0.33 0.20 0.11 -0.04 1.21 1.16 2h6bB1 ILE 65 HG23 -0.22 0.02 -0.04 -0.04 0.93 0.64 2h6bB1 ILE 65 HD13 -0.32 -0.02 -0.06 -0.04 0.88 0.44 2h6bB1 ILE 66 H -0.22 0.66 0.26 -0.55 8.25 8.40 2h6bB1 ILE 66 HA -0.11 0.26 0.98 -0.75 4.18 4.55 2h6bB1 ILE 66 HB -0.09 -0.09 0.04 -0.04 1.89 1.71 2h6bB1 ILE 66 HG12 -0.10 0.05 -0.16 -0.04 1.49 1.24 2h6bB1 ILE 66 HG13 0.04 -0.10 -0.38 -0.04 1.21 0.72 2h6bB1 ILE 66 HG23 -0.06 0.05 -0.13 -0.04 0.93 0.75 2h6bB1 ILE 66 HD13 -0.21 -0.02 -0.15 -0.04 0.88 0.46 2h6bB1 PHE 67 H 0.08 0.68 0.18 -0.55 8.34 8.73 2h6bB1 PHE 67 HA -0.01 0.19 0.90 -0.75 4.62 4.96 2h6bB1 PHE 67 HB2 -0.00 -0.00 0.07 -0.04 3.15 3.17 2h6bB1 PHE 67 HB3 -0.00 -0.13 0.13 -0.04 3.06 3.02 2h6bB1 PHE 67 HD2 -0.00 -0.01 -0.09 -0.04 7.28 7.13 2h6bB1 PHE 67 HE2 -0.00 0.03 -0.09 -0.04 7.38 7.27 2h6bB1 PHE 67 HZ -0.01 0.04 -0.08 -0.04 7.32 7.23 2h6bB1 GLU 68 H 0.22 0.17 0.18 -0.55 8.60 8.62 2h6bB1 GLU 68 HA 0.05 0.14 0.36 -0.75 4.29 4.08 2h6bB1 GLU 68 HB2 0.08 -0.01 0.16 -0.04 2.09 2.27 2h6bB1 GLU 68 HB3 0.04 0.04 0.13 -0.04 1.99 2.16 2h6bB1 GLU 68 HG2 0.04 0.02 0.06 -0.04 2.34 2.42 2h6bB1 GLU 68 HG3 0.03 0.03 0.04 -0.04 2.34 2.40 2h6bB1 ASP 69 H 0.11 -0.00 -0.30 -0.55 8.40 7.66 2h6bB1 ASP 69 HA 0.03 0.22 0.73 -0.75 4.63 4.86 2h6bB1 ASP 69 HB2 0.01 0.05 0.16 -0.04 2.71 2.89 2h6bB1 ASP 69 HB3 0.01 0.00 0.04 -0.04 2.70 2.72 2h6bB1 GLY 70 H 0.06 0.55 -0.36 -0.55 8.43 8.13 2h6bB1 GLY 70 HA2 0.01 0.03 0.29 -0.51 4.01 3.83 2h6bB1 GLY 70 HA3 0.01 0.09 0.53 -0.51 4.01 4.14 2h6bB1 SER 71 H 0.09 -0.05 -0.51 -0.55 8.46 7.44 2h6bB1 SER 71 HA 0.06 0.10 0.55 -0.75 4.49 4.46 2h6bB1 SER 71 HB2 0.10 0.10 0.08 -0.04 3.95 4.19 2h6bB1 SER 71 HB3 0.05 0.03 0.04 -0.04 3.93 4.02 2h6bB1 GLU 72 H 0.08 0.19 0.23 -0.55 8.60 8.56 2h6bB1 GLU 72 HA 0.05 0.32 0.87 -0.75 4.29 4.77 2h6bB1 GLU 72 HB2 0.12 -0.00 0.02 -0.04 2.09 2.19 2h6bB1 GLU 72 HB3 0.02 0.02 0.01 -0.04 1.99 2.00 2h6bB1 GLU 72 HG2 0.04 0.01 0.05 -0.04 2.34 2.40 2h6bB1 GLU 72 HG3 0.08 -0.03 -0.02 -0.04 2.34 2.33 2h6bB1 LYS 73 H 0.03 0.67 0.33 -0.55 8.42 8.90 2h6bB1 LYS 73 HA 0.08 0.11 0.55 -0.75 4.32 4.30 2h6bB1 LYS 73 HB2 0.27 -0.04 0.00 -0.04 1.87 2.06 2h6bB1 LYS 73 HB3 0.13 0.13 0.04 -0.04 1.79 2.06 2h6bB1 LYS 73 HG2 0.11 0.11 0.15 -0.04 1.46 1.79 2h6bB1 LYS 73 HG3 0.21 -0.08 -0.11 -0.04 1.46 1.44 2h6bB1 LYS 73 HD2 0.11 0.05 0.02 -0.04 1.69 1.84 2h6bB1 LYS 73 HD3 0.08 0.01 0.06 -0.04 1.68 1.78 2h6bB1 LYS 73 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.91 2h6bB1 LYS 73 HE3 0.04 0.01 -0.01 -0.04 2.99 2.99 2h6bB1 LEU 74 H 0.04 0.14 0.13 -0.55 8.37 8.14 2h6bB1 LEU 74 HA -0.10 0.01 0.49 -0.75 4.35 3.99 2h6bB1 LEU 74 HB2 -0.03 -0.03 0.08 -0.04 1.64 1.62 2h6bB1 LEU 74 HB3 0.04 0.04 0.10 -0.04 1.64 1.78 2h6bB1 LEU 74 HG -0.12 0.01 -0.45 -0.04 1.64 1.05 2h6bB1 LEU 74 HD13 -0.66 -0.01 -0.08 -0.04 0.93 0.14 2h6bB1 LEU 74 HD23 0.15 0.01 -0.09 -0.04 0.89 0.92 2h6bB1 LEU 75 H -0.16 0.58 0.63 -0.55 8.37 8.88 2h6bB1 LEU 75 HA 0.13 0.19 0.99 -0.75 4.35 4.90 2h6bB1 LEU 75 HB2 -0.24 -0.02 0.04 -0.04 1.64 1.38 2h6bB1 LEU 75 HB3 0.10 -0.02 -0.05 -0.04 1.64 1.63 2h6bB1 LEU 75 HG -0.13 -0.08 -0.12 -0.04 1.64 1.27 2h6bB1 LEU 75 HD13 -0.15 -0.01 -0.10 -0.04 0.93 0.62 2h6bB1 LEU 75 HD23 -0.04 0.04 -0.05 -0.04 0.89 0.80 2h6bB1 TYR 76 H -0.28 0.44 0.39 -0.55 8.29 8.29 2h6bB1 TYR 76 HA -0.04 0.19 0.35 -0.75 4.56 4.31 2h6bB1 TYR 76 HB2 0.03 0.10 0.07 -0.04 3.06 3.22 2h6bB1 TYR 76 HB3 0.30 0.19 -0.04 -0.04 2.98 3.38 2h6bB1 TYR 76 HD2 0.23 0.04 -0.51 -0.04 7.15 6.86 2h6bB1 TYR 76 HE2 0.05 -0.05 -0.19 -0.04 6.85 6.62 2h6bB1 TYR 77 H 0.29 0.72 0.44 -0.55 8.29 9.18 2h6bB1 TYR 77 HA 0.07 0.19 1.10 -0.75 4.56 5.16 2h6bB1 TYR 77 HB2 -0.01 0.00 0.13 -0.04 3.06 3.13 2h6bB1 TYR 77 HB3 -0.00 0.00 0.06 -0.04 2.98 3.00 2h6bB1 TYR 77 HD2 -0.01 0.10 -0.00 -0.04 7.15 7.20 2h6bB1 TYR 77 HE2 -0.00 0.04 -0.03 -0.04 6.85 6.82 2h6bB1 ALA 78 H 0.16 0.79 0.44 -0.55 8.40 9.23 2h6bB1 ALA 78 HA 0.05 0.08 0.92 -0.75 4.34 4.65 2h6bB1 ALA 78 HB3 0.14 0.01 -0.04 -0.04 1.41 1.48 2h6bB1 GLY 79 H -0.02 0.17 0.13 -0.55 8.43 8.16 2h6bB1 GLY 79 HA2 -0.02 0.30 0.76 -0.51 4.01 4.53 2h6bB1 GLY 79 HA3 -0.03 0.02 0.40 -0.51 4.01 3.89 2h6bB1 GLY 80 H -0.05 0.13 0.17 -0.55 8.43 8.13 2h6bB1 GLY 80 HA2 -0.14 0.11 0.10 -0.51 4.01 3.57 2h6bB1 GLY 80 HA3 -0.07 0.04 0.38 -0.51 4.01 3.84 2h6bB1 ASN 81 H -0.38 0.98 0.40 -0.55 8.53 8.98 2h6bB1 ASN 81 HA -0.39 0.04 0.29 -0.75 4.76 3.95 2h6bB1 ASN 81 HB2 -0.03 0.21 -0.02 -0.04 2.88 3.00 2h6bB1 ASN 81 HB3 0.10 -0.24 -0.06 -0.04 2.79 2.54 2h6bB1 ASN 81 HD21 0.01 0.01 -0.05 -0.04 7.03 6.96 2h6bB1 ASN 81 HD22 -0.02 0.08 -0.17 -0.04 7.74 7.59 2h6bB1 SER 82 H -0.14 0.51 -0.31 -0.55 8.46 7.97 2h6bB1 SER 82 HA -0.00 0.18 0.56 -0.75 4.49 4.48 2h6bB1 SER 82 HB2 -0.05 0.12 0.09 -0.04 3.95 4.06 2h6bB1 SER 82 HB3 0.01 -0.01 -0.03 -0.04 3.93 3.86 2h6bB1 LEU 83 H 0.04 0.29 0.12 -0.55 8.37 8.27 2h6bB1 LEU 83 HA 0.10 0.25 0.90 -0.75 4.35 4.84 2h6bB1 LEU 83 HB2 0.16 0.03 -0.14 -0.04 1.64 1.65 2h6bB1 LEU 83 HB3 0.02 0.03 0.03 -0.04 1.64 1.68 2h6bB1 LEU 83 HG -0.03 -0.01 -0.52 -0.04 1.64 1.04 2h6bB1 LEU 83 HD13 0.12 0.01 -0.25 -0.04 0.93 0.77 2h6bB1 LEU 83 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.63 2h6bB1 ILE 84 H -0.01 0.63 0.18 -0.55 8.25 8.51 2h6bB1 ILE 84 HA 0.10 0.12 0.70 -0.75 4.18 4.34 2h6bB1 ILE 84 HB -0.15 -0.03 0.17 -0.04 1.89 1.84 2h6bB1 ILE 84 HG12 0.15 0.03 -0.15 -0.04 1.49 1.48 2h6bB1 ILE 84 HG13 0.00 0.03 -0.11 -0.04 1.21 1.09 2h6bB1 ILE 84 HG23 -0.07 -0.01 -0.11 -0.04 0.93 0.70 2h6bB1 ILE 84 HD13 -0.13 -0.00 -0.15 -0.04 0.88 0.56 2h6bB1 GLY 85 H 0.01 0.21 0.08 -0.55 8.43 8.19 2h6bB1 GLY 85 HA2 -0.08 0.07 0.18 -0.51 4.01 3.67 2h6bB1 GLY 85 HA3 -0.13 0.07 0.29 -0.51 4.01 3.73 2h6bB1 LYS 86 H -0.05 0.30 -0.36 -0.55 8.42 7.75 2h6bB1 LYS 86 HA 0.04 0.14 0.21 -0.75 4.32 3.96 2h6bB1 LYS 86 HB2 -0.08 0.03 0.02 -0.04 1.87 1.79 2h6bB1 LYS 86 HB3 -0.03 0.08 0.08 -0.04 1.79 1.88 2h6bB1 LYS 86 HG2 0.00 0.07 -0.08 -0.04 1.46 1.41 2h6bB1 LYS 86 HG3 -0.00 -0.14 -0.15 -0.04 1.46 1.12 2h6bB1 LYS 86 HD2 -0.06 -0.01 -0.08 -0.04 1.69 1.50 2h6bB1 LYS 86 HD3 -0.08 -0.02 -0.08 -0.04 1.68 1.45 2h6bB1 LYS 86 HE2 -0.04 -0.00 -0.03 -0.04 2.99 2.87 2h6bB1 LYS 86 HE3 -0.03 -0.02 0.01 -0.04 2.99 2.91 2h6bB1 LEU 87 H -0.00 0.41 -0.01 -0.55 8.37 8.22 2h6bB1 LEU 87 HA -0.19 -0.04 0.07 -0.75 4.35 3.44 2h6bB1 LEU 87 HB2 -0.10 -0.02 -0.12 -0.04 1.64 1.36 2h6bB1 LEU 87 HB3 -0.47 0.06 -0.02 -0.04 1.64 1.16 2h6bB1 LEU 87 HG -1.11 0.02 -0.09 -0.04 1.64 0.42 2h6bB1 LEU 87 HD13 -0.13 -0.03 -0.12 -0.04 0.93 0.61 2h6bB1 LEU 87 HD23 0.00 -0.01 -0.05 -0.04 0.89 0.79 2h6bB1 TYR 88 H -0.01 0.16 -0.15 -0.55 8.29 7.75 2h6bB1 TYR 88 HA 0.04 0.15 0.79 -0.75 4.56 4.78 2h6bB1 TYR 88 HB2 0.02 0.02 -0.03 -0.04 3.06 3.03 2h6bB1 TYR 88 HB3 0.02 0.05 0.07 -0.04 2.98 3.08 2h6bB1 TYR 88 HD2 0.03 0.03 -0.02 -0.04 7.15 7.15 2h6bB1 TYR 88 HE2 0.05 -0.02 -0.04 -0.04 6.85 6.80 2h6bB1 PRO 89 HA 0.05 0.04 0.54 -0.51 4.44 4.56 2h6bB1 PRO 89 HB2 0.06 0.02 -0.01 -0.04 2.28 2.31 2h6bB1 PRO 89 HB3 0.04 -0.02 0.09 -0.04 2.02 2.09 2h6bB1 PRO 89 HG2 0.07 0.03 0.06 -0.04 2.03 2.15 2h6bB1 PRO 89 HG3 0.07 0.06 0.04 -0.04 2.03 2.15 2h6bB1 PRO 89 HD2 0.17 0.08 0.20 -0.04 3.68 4.08 2h6bB1 PRO 89 HD3 0.15 0.16 0.19 -0.04 3.65 4.10 2h6bB1 THR 90 H 0.03 0.04 0.22 -0.55 8.28 8.02 2h6bB1 THR 90 HA 0.03 0.29 1.00 -0.75 4.39 4.96 2h6bB1 THR 90 HB 0.01 0.02 0.07 -0.04 4.32 4.38 2h6bB1 THR 90 HG23 0.04 0.04 -0.12 -0.04 1.22 1.13 2h6bB1 GLY 91 H 0.01 0.05 0.08 -0.55 8.43 8.03 2h6bB1 GLY 91 HA2 0.01 0.01 0.32 -0.51 4.01 3.84 2h6bB1 GLY 91 HA3 0.00 0.23 0.80 -0.51 4.01 4.54 2h6bB1 ASN 92 H -0.02 0.03 -0.28 -0.55 8.53 7.71 2h6bB1 ASN 92 HA -0.06 0.20 0.93 -0.75 4.76 5.08 2h6bB1 ASN 92 HB2 -0.06 -0.05 -0.03 -0.04 2.88 2.69 2h6bB1 ASN 92 HB3 -0.12 0.07 -0.07 -0.04 2.79 2.62 2h6bB1 ASN 92 HD21 -0.04 0.03 -0.08 -0.04 7.03 6.90 2h6bB1 ASN 92 HD22 -0.06 -0.03 -0.08 -0.04 7.74 7.53 2h6bB1 ASN 93 H -0.09 0.25 0.14 -0.55 8.53 8.28 2h6bB1 ASN 93 HA -0.03 0.09 0.80 -0.75 4.76 4.86 2h6bB1 ASN 93 HB2 -0.04 0.01 0.12 -0.04 2.88 2.93 2h6bB1 ASN 93 HB3 -0.10 0.21 0.28 -0.04 2.79 3.14 2h6bB1 ASN 93 HD21 -0.05 -0.03 -0.04 -0.04 7.03 6.86 2h6bB1 ASN 93 HD22 -0.05 0.08 -0.04 -0.04 7.74 7.69 2h6bB1 ILE 94 H -0.02 0.26 0.15 -0.55 8.25 8.09 2h6bB1 ILE 94 HA -0.06 0.26 0.99 -0.75 4.18 4.62 2h6bB1 ILE 94 HB -0.04 -0.00 0.07 -0.04 1.89 1.87 2h6bB1 ILE 94 HG12 -0.07 -0.03 -0.45 -0.04 1.49 0.90 2h6bB1 ILE 94 HG13 -0.08 -0.03 -0.10 -0.04 1.21 0.97 2h6bB1 ILE 94 HG23 -0.12 -0.00 -0.16 -0.04 0.93 0.61 2h6bB1 ILE 94 HD13 -0.13 0.01 -0.11 -0.04 0.88 0.61 2h6bB1 TYR 95 H 0.07 0.62 0.25 -0.55 8.29 8.67 2h6bB1 TYR 95 HA -0.06 0.20 0.10 -0.75 4.56 4.05 2h6bB1 TYR 95 HB2 -0.04 0.12 0.04 -0.04 3.06 3.14 2h6bB1 TYR 95 HB3 -0.05 -0.08 -0.17 -0.04 2.98 2.63 2h6bB1 TYR 95 HD2 -0.06 0.01 -0.09 -0.04 7.15 6.98 2h6bB1 TYR 95 HE2 -0.04 -0.00 -0.12 -0.04 6.85 6.65 2h6bB1 ALA 96 H -0.12 0.60 0.30 -0.55 8.40 8.62 2h6bB1 ALA 96 HA -0.40 0.41 1.15 -0.75 4.34 4.75 2h6bB1 ALA 96 HB3 -0.20 -0.03 -0.08 -0.04 1.41 1.05 2h6bB1 THR 97 H -0.25 0.62 0.37 -0.55 8.28 8.47 2h6bB1 THR 97 HA -0.10 0.22 0.93 -0.75 4.39 4.68 2h6bB1 THR 97 HB -0.14 -0.06 0.06 -0.04 4.32 4.13 2h6bB1 THR 97 HG23 -0.00 0.06 -0.20 -0.04 1.22 1.03 2h6bB1 ALA 98 H -0.05 0.66 0.25 -0.55 8.40 8.71 2h6bB1 ALA 98 HA -0.02 0.15 0.88 -0.75 4.34 4.59 2h6bB1 ALA 98 HB3 0.06 0.07 0.07 -0.04 1.41 1.57 2h6bB1 MET 99 H 0.01 0.57 0.28 -0.55 8.47 8.79 2h6bB1 MET 99 HA 0.02 0.09 0.72 -0.75 4.52 4.60 2h6bB1 MET 99 HB2 0.03 -0.00 -0.08 -0.04 2.15 2.06 2h6bB1 MET 99 HB3 0.03 0.00 0.10 -0.04 2.03 2.12 2h6bB1 MET 99 HG2 0.03 0.00 -0.08 -0.04 2.63 2.53 2h6bB1 MET 99 HG3 0.04 0.03 -0.21 -0.04 2.56 2.39 2h6bB1 MET 99 HE3 0.08 0.01 -0.02 -0.04 2.10 2.13 2h6bB1 GLU 100 H 0.03 0.32 0.04 -0.55 8.60 8.45 2h6bB1 GLU 100 HA 0.02 0.07 0.28 -0.75 4.29 3.91 2h6bB1 GLU 100 HB2 0.01 0.02 0.17 -0.04 2.09 2.25 2h6bB1 GLU 100 HB3 0.01 0.11 0.07 -0.04 1.99 2.14 2h6bB1 GLU 100 HG2 0.01 -0.13 -0.09 -0.04 2.34 2.09 2h6bB1 GLU 100 HG3 0.02 0.24 -0.20 -0.04 2.34 2.36 2h6bB1 PRO 101 HA 0.05 0.13 0.54 -0.51 4.44 4.66 2h6bB1 PRO 101 HB2 0.02 0.01 0.08 -0.04 2.28 2.35 2h6bB1 PRO 101 HB3 0.02 0.03 0.07 -0.04 2.02 2.11 2h6bB1 PRO 101 HG2 0.01 0.06 0.10 -0.04 2.03 2.16 2h6bB1 PRO 101 HG3 0.02 0.00 0.13 -0.04 2.03 2.14 2h6bB1 PRO 101 HD2 0.02 0.12 0.21 -0.04 3.68 3.99 2h6bB1 PRO 101 HD3 0.02 0.11 0.19 -0.04 3.65 3.93 2h6bB1 THR 102 H 0.10 0.56 0.37 -0.55 8.28 8.76 2h6bB1 THR 102 HA 0.05 0.29 1.18 -0.75 4.39 5.16 2h6bB1 THR 102 HB 0.14 -0.02 0.12 -0.04 4.32 4.52 2h6bB1 THR 102 HG23 0.06 -0.01 -0.27 -0.04 1.22 0.96 2h6bB1 ARG 103 H 0.05 0.71 0.37 -0.55 8.46 9.04 2h6bB1 ARG 103 HA 0.11 0.20 1.01 -0.75 4.34 4.90 2h6bB1 ARG 103 HB2 0.04 0.00 0.03 -0.04 1.90 1.93 2h6bB1 ARG 103 HB3 0.04 -0.08 0.19 -0.04 1.80 1.90 2h6bB1 ARG 103 HG2 0.07 -0.08 -0.16 -0.04 1.67 1.45 2h6bB1 ARG 103 HG3 0.07 0.10 0.02 -0.04 1.67 1.82 2h6bB1 ARG 103 HD2 0.04 -0.02 -0.04 -0.04 3.22 3.15 2h6bB1 ARG 103 HD3 0.04 0.02 -0.05 -0.04 3.22 3.18 2h6bB1 THR 104 H 0.21 0.71 0.36 -0.55 8.28 9.01 2h6bB1 THR 104 HA 0.11 0.14 0.98 -0.75 4.39 4.87 2h6bB1 THR 104 HB 0.18 0.00 -0.01 -0.04 4.32 4.46 2h6bB1 THR 104 HG23 0.16 -0.02 -0.29 -0.04 1.22 1.03 2h6bB1 CYS 105 H 0.22 0.59 0.25 -0.55 8.50 9.01 2h6bB1 CYS 105 HA 0.14 0.26 0.61 -0.75 4.58 4.84 2h6bB1 CYS 105 HB2 0.17 -0.01 -0.12 -0.04 2.97 2.97 2h6bB1 CYS 105 HB3 0.28 -0.06 0.06 -0.04 2.97 3.21 2h6bB1 TRP 106 H 0.27 0.75 0.27 -0.55 7.97 8.71 2h6bB1 TRP 106 HA 0.02 0.22 0.81 -0.75 4.62 4.91 2h6bB1 TRP 106 HB2 -0.05 0.01 0.16 -0.04 3.23 3.31 2h6bB1 TRP 106 HB3 -0.01 -0.01 -0.07 -0.04 3.23 3.10 2h6bB1 TRP 106 HD1 0.06 -0.07 -0.24 -0.04 7.22 6.92 2h6bB1 TRP 106 HE1 0.28 0.00 -0.14 -0.04 10.20 10.30 2h6bB1 TRP 106 HE3 0.03 -0.04 -0.13 -0.04 7.59 7.40 2h6bB1 TRP 106 HZ2 0.02 0.08 -0.05 -0.04 7.44 7.45 2h6bB1 TRP 106 HZ3 0.03 -0.04 -0.06 -0.04 7.13 7.01 2h6bB1 TRP 106 HH2 0.02 0.08 -0.02 -0.04 7.19 7.23 2h6bB1 PHE 107 H 0.21 0.85 0.31 -0.55 8.34 9.16 2h6bB1 PHE 107 HA 0.05 0.12 0.98 -0.75 4.62 5.02 2h6bB1 PHE 107 HB2 -0.03 -0.06 0.15 -0.04 3.15 3.16 2h6bB1 PHE 107 HB3 -0.07 0.02 -0.05 -0.04 3.06 2.92 2h6bB1 PHE 107 HD2 -0.02 0.03 -0.21 -0.04 7.28 7.03 2h6bB1 PHE 107 HE2 0.01 0.07 -0.18 -0.04 7.38 7.24 2h6bB1 PHE 107 HZ -0.05 0.03 -0.29 -0.04 7.32 6.97 2h6bB1 SER 108 H 0.10 0.15 0.20 -0.55 8.46 8.37 2h6bB1 SER 108 HA 0.07 0.32 0.73 -0.75 4.49 4.85 2h6bB1 SER 108 HB2 0.05 0.01 0.21 -0.04 3.95 4.18 2h6bB1 SER 108 HB3 0.07 0.12 0.16 -0.04 3.93 4.24 2h6bB1 GLU 109 H 0.01 0.31 0.23 -0.55 8.60 8.60 2h6bB1 GLU 109 HA 0.01 0.09 0.51 -0.75 4.29 4.15 2h6bB1 GLU 109 HB2 0.02 0.12 0.16 -0.04 2.09 2.36 2h6bB1 GLU 109 HB3 0.06 -0.04 0.15 -0.04 1.99 2.13 2h6bB1 GLU 109 HG2 0.08 -0.03 -0.20 -0.04 2.34 2.15 2h6bB1 GLU 109 HG3 0.14 0.01 0.02 -0.04 2.34 2.48 2h6bB1 LYS 110 H 0.03 0.14 -0.03 -0.55 8.42 8.00 2h6bB1 LYS 110 HA 0.01 0.08 0.50 -0.75 4.32 4.16 2h6bB1 LYS 110 HB2 0.02 0.03 0.13 -0.04 1.87 2.01 2h6bB1 LYS 110 HB3 0.02 -0.05 0.08 -0.04 1.79 1.80 2h6bB1 LYS 110 HG2 0.01 0.04 -0.19 -0.04 1.46 1.28 2h6bB1 LYS 110 HG3 0.01 0.00 0.03 -0.04 1.46 1.47 2h6bB1 LYS 110 HD2 0.02 -0.00 0.02 -0.04 1.69 1.68 2h6bB1 LYS 110 HD3 0.01 0.01 -0.00 -0.04 1.68 1.66 2h6bB1 LYS 110 HE2 0.01 0.00 0.00 -0.04 2.99 2.96 2h6bB1 LYS 110 HE3 0.01 0.02 0.00 -0.04 2.99 2.98 2h6bB1 SER 111 H 0.03 0.02 -0.25 -0.55 8.46 7.71 2h6bB1 SER 111 HA 0.01 0.11 0.46 -0.75 4.49 4.32 2h6bB1 SER 111 HB2 0.07 0.45 0.23 -0.04 3.95 4.66 2h6bB1 SER 111 HB3 0.06 -0.22 0.22 -0.04 3.93 3.96 2h6bB1 LEU 112 H -0.04 0.58 -0.14 -0.55 8.37 8.22 2h6bB1 LEU 112 HA -0.53 0.00 0.50 -0.75 4.35 3.57 2h6bB1 LEU 112 HB2 -0.14 0.15 0.14 -0.04 1.64 1.75 2h6bB1 LEU 112 HB3 -0.62 -0.05 -0.04 -0.04 1.64 0.89 2h6bB1 LEU 112 HG -0.03 0.13 -0.12 -0.04 1.64 1.57 2h6bB1 LEU 112 HD13 0.02 -0.02 -0.08 -0.04 0.93 0.80 2h6bB1 LEU 112 HD23 -0.47 -0.01 -0.05 -0.04 0.89 0.31 2h6bB1 ARG 113 H -0.12 0.49 -0.18 -0.55 8.46 8.10 2h6bB1 ARG 113 HA -0.02 0.01 0.47 -0.75 4.34 4.04 2h6bB1 ARG 113 HB2 -0.02 0.17 0.19 -0.04 1.90 2.21 2h6bB1 ARG 113 HB3 0.01 -0.03 0.03 -0.04 1.80 1.77 2h6bB1 ARG 113 HG2 0.07 -0.03 0.03 -0.04 1.67 1.70 2h6bB1 ARG 113 HG3 0.03 0.10 0.04 -0.04 1.67 1.81 2h6bB1 ARG 113 HD2 0.02 -0.02 0.03 -0.04 3.22 3.21 2h6bB1 ARG 113 HD3 0.03 -0.00 0.01 -0.04 3.22 3.22 2h6bB1 THR 114 H -0.09 0.40 -0.21 -0.55 8.28 7.83 2h6bB1 THR 114 HA -0.04 -0.00 0.34 -0.75 4.39 3.94 2h6bB1 THR 114 HB -0.03 0.27 0.20 -0.04 4.32 4.72 2h6bB1 THR 114 HG23 0.00 -0.02 -0.03 -0.04 1.22 1.14 2h6bB1 VAL 115 H -0.28 0.38 -0.19 -0.55 8.24 7.60 2h6bB1 VAL 115 HA -0.22 0.04 0.48 -0.75 4.13 3.67 2h6bB1 VAL 115 HB -0.72 0.08 0.16 -0.04 2.12 1.60 2h6bB1 VAL 115 HG13 -0.64 -0.02 -0.12 -0.04 0.97 0.14 2h6bB1 VAL 115 HG23 -0.18 0.05 -0.00 -0.04 0.95 0.78 2h6bB1 PHE 116 H -0.43 0.63 -0.15 -0.55 8.34 7.84 2h6bB1 PHE 116 HA -0.19 0.16 0.08 -0.75 4.62 3.92 2h6bB1 PHE 116 HB2 -0.10 0.10 0.04 -0.04 3.15 3.15 2h6bB1 PHE 116 HB3 -0.13 -0.08 -0.02 -0.04 3.06 2.78 2h6bB1 PHE 116 HD2 -0.17 -0.01 -0.13 -0.04 7.28 6.93 2h6bB1 PHE 116 HE2 -0.17 -0.02 -0.18 -0.04 7.38 6.97 2h6bB1 PHE 116 HZ -0.16 -0.02 -0.06 -0.04 7.32 7.04 2h6bB1 ARG 117 H 0.01 0.64 -0.13 -0.55 8.46 8.43 2h6bB1 ARG 117 HA 0.03 0.01 0.60 -0.75 4.34 4.23 2h6bB1 ARG 117 HB2 -0.00 0.09 0.11 -0.04 1.90 2.06 2h6bB1 ARG 117 HB3 0.01 -0.04 -0.01 -0.04 1.80 1.72 2h6bB1 ARG 117 HG2 0.02 -0.05 0.04 -0.04 1.67 1.64 2h6bB1 ARG 117 HG3 0.04 0.02 0.02 -0.04 1.67 1.70 2h6bB1 ARG 117 HD2 0.00 0.01 -0.14 -0.04 3.22 3.05 2h6bB1 ARG 117 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.13 2h6bB1 THR 118 H -0.03 0.38 -0.29 -0.55 8.28 7.79 2h6bB1 THR 118 HA 0.03 0.09 0.78 -0.75 4.39 4.53 2h6bB1 THR 118 HB -0.02 0.11 0.15 -0.04 4.32 4.52 2h6bB1 THR 118 HG23 0.13 -0.03 -0.01 -0.04 1.22 1.27 2h6bB1 ASP 119 H -0.08 0.64 0.04 -0.55 8.40 8.45 2h6bB1 ASP 119 HA 0.01 0.11 0.82 -0.75 4.63 4.82 2h6bB1 ASP 119 HB2 0.04 0.10 -0.16 -0.04 2.71 2.65 2h6bB1 ASP 119 HB3 -0.35 0.01 0.10 -0.04 2.70 2.42 2h6bB1 GLU 120 H 0.02 0.26 0.03 -0.55 8.60 8.36 2h6bB1 GLU 120 HA -0.04 0.11 0.52 -0.75 4.29 4.13 2h6bB1 GLU 120 HB2 0.03 0.14 0.14 -0.04 2.09 2.36 2h6bB1 GLU 120 HB3 0.05 -0.05 0.10 -0.04 1.99 2.05 2h6bB1 GLU 120 HG2 0.20 -0.06 -0.12 -0.04 2.34 2.32 2h6bB1 GLU 120 HG3 0.02 0.00 0.08 -0.04 2.34 2.40 2h6bB1 ASP 121 H 0.04 0.15 -0.13 -0.55 8.40 7.91 2h6bB1 ASP 121 HA 0.19 0.07 0.43 -0.75 4.63 4.56 2h6bB1 ASP 121 HB2 0.05 0.03 -0.01 -0.04 2.71 2.73 2h6bB1 ASP 121 HB3 0.07 0.01 -0.02 -0.04 2.70 2.71 2h6bB1 MET 122 H -0.04 0.46 -0.41 -0.55 8.47 7.94 2h6bB1 MET 122 HA -0.03 -0.01 0.37 -0.75 4.52 4.10 2h6bB1 MET 122 HB2 0.04 0.31 -0.00 -0.04 2.15 2.46 2h6bB1 MET 122 HB3 0.05 -0.03 -0.10 -0.04 2.03 1.91 2h6bB1 MET 122 HG2 -0.19 0.03 -0.04 -0.04 2.63 2.38 2h6bB1 MET 122 HG3 -0.39 0.03 -0.07 -0.04 2.56 2.10 2h6bB1 MET 122 HE3 0.08 -0.02 -0.18 -0.04 2.10 1.94 2h6bB1 ILE 123 H -0.43 0.46 -0.20 -0.55 8.25 7.53 2h6bB1 ILE 123 HA -1.13 0.05 0.57 -0.75 4.18 2.92 2h6bB1 ILE 123 HB -1.07 0.15 0.18 -0.04 1.89 1.11 2h6bB1 ILE 123 HG12 -1.63 -0.03 0.05 -0.04 1.49 -0.15 2h6bB1 ILE 123 HG13 -1.29 -0.04 0.10 -0.04 1.21 -0.06 2h6bB1 ILE 123 HG23 -1.50 -0.01 -0.07 -0.04 0.93 -0.69 2h6bB1 ILE 123 HD13 -0.39 0.02 0.08 -0.04 0.88 0.55 2h6bB1 PHE 124 H -0.26 0.34 -0.18 -0.55 8.34 7.69 2h6bB1 PHE 124 HA -0.31 0.04 0.29 -0.75 4.62 3.88 2h6bB1 PHE 124 HB2 -0.09 0.13 0.14 -0.04 3.15 3.29 2h6bB1 PHE 124 HB3 -0.03 0.00 0.07 -0.04 3.06 3.06 2h6bB1 PHE 124 HD2 0.02 0.02 0.01 -0.04 7.28 7.29 2h6bB1 PHE 124 HE2 0.04 0.01 -0.04 -0.04 7.38 7.35 2h6bB1 PHE 124 HZ -0.01 0.02 -0.02 -0.04 7.32 7.26 2h6bB1 GLU 125 H -0.01 0.33 -0.09 -0.55 8.60 8.28 2h6bB1 GLU 125 HA 0.18 0.08 0.57 -0.75 4.29 4.37 2h6bB1 GLU 125 HB2 0.04 0.05 0.11 -0.04 2.09 2.25 2h6bB1 GLU 125 HB3 0.17 0.01 0.01 -0.04 1.99 2.15 2h6bB1 GLU 125 HG2 0.09 0.14 -0.02 -0.04 2.34 2.51 2h6bB1 GLU 125 HG3 0.10 -0.07 -0.03 -0.04 2.34 2.29 2h6bB1 ILE 126 H -0.10 0.41 -0.28 -0.55 8.25 7.73 2h6bB1 ILE 126 HA -0.01 0.04 0.48 -0.75 4.18 3.94 2h6bB1 ILE 126 HB -0.16 0.20 0.19 -0.04 1.89 2.08 2h6bB1 ILE 126 HG12 -0.05 -0.05 -0.01 -0.04 1.49 1.33 2h6bB1 ILE 126 HG13 -0.05 0.05 0.07 -0.04 1.21 1.24 2h6bB1 ILE 126 HG23 0.05 -0.02 -0.06 -0.04 0.93 0.86 2h6bB1 ILE 126 HD13 0.06 -0.02 -0.04 -0.04 0.88 0.85 2h6bB1 PHE 127 H -0.11 0.50 -0.02 -0.55 8.34 8.16 2h6bB1 PHE 127 HA 0.12 0.01 0.46 -0.75 4.62 4.46 2h6bB1 PHE 127 HB2 0.02 0.09 0.14 -0.04 3.15 3.36 2h6bB1 PHE 127 HB3 0.02 -0.03 -0.03 -0.04 3.06 2.98 2h6bB1 PHE 127 HD2 0.07 -0.03 -0.02 -0.04 7.28 7.25 2h6bB1 PHE 127 HE2 -0.14 -0.01 -0.03 -0.04 7.38 7.16 2h6bB1 PHE 127 HZ -0.21 -0.01 -0.03 -0.04 7.32 7.03 2h6bB1 LYS 128 H 0.05 0.51 -0.28 -0.55 8.42 8.14 2h6bB1 LYS 128 HA -0.14 -0.01 0.45 -0.75 4.32 3.86 2h6bB1 LYS 128 HB2 -0.67 0.20 0.11 -0.04 1.87 1.47 2h6bB1 LYS 128 HB3 -1.09 -0.05 0.02 -0.04 1.79 0.63 2h6bB1 LYS 128 HG2 -0.13 -0.07 0.04 -0.04 1.46 1.26 2h6bB1 LYS 128 HG3 -0.01 0.38 0.16 -0.04 1.46 1.95 2h6bB1 LYS 128 HD2 0.01 -0.01 0.01 -0.04 1.69 1.66 2h6bB1 LYS 128 HD3 -0.18 -0.03 0.01 -0.04 1.68 1.44 2h6bB1 LYS 128 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 2h6bB1 LYS 128 HE3 0.09 0.01 -0.11 -0.04 2.99 2.94 2h6bB1 ASN 129 H -0.02 0.42 -0.17 -0.55 8.53 8.22 2h6bB1 ASN 129 HA 0.10 0.02 0.58 -0.75 4.76 4.71 2h6bB1 ASN 129 HB2 0.22 0.13 0.14 -0.04 2.88 3.34 2h6bB1 ASN 129 HB3 -0.06 0.02 0.21 -0.04 2.79 2.92 2h6bB1 ASN 129 HD21 0.05 -0.11 -0.04 -0.04 7.03 6.88 2h6bB1 ASN 129 HD22 0.18 0.58 0.02 -0.04 7.74 8.49 2h6bB1 TYR 130 H 0.06 0.73 0.01 -0.55 8.29 8.53 2h6bB1 TYR 130 HA -0.02 -0.02 0.37 -0.75 4.56 4.13 2h6bB1 TYR 130 HB2 0.05 0.14 0.23 -0.04 3.06 3.44 2h6bB1 TYR 130 HB3 -0.00 -0.05 -0.02 -0.04 2.98 2.88 2h6bB1 TYR 130 HD2 0.08 -0.01 -0.04 -0.04 7.15 7.14 2h6bB1 TYR 130 HE2 0.07 -0.00 0.01 -0.04 6.85 6.88 2h6bB1 LEU 131 H 0.09 0.75 -0.01 -0.55 8.37 8.65 2h6bB1 LEU 131 HA 0.02 -0.04 0.50 -0.75 4.35 4.07 2h6bB1 LEU 131 HB2 -0.01 0.02 0.12 -0.04 1.64 1.73 2h6bB1 LEU 131 HB3 -0.04 0.06 0.15 -0.04 1.64 1.77 2h6bB1 LEU 131 HG -0.02 0.00 -0.12 -0.04 1.64 1.46 2h6bB1 LEU 131 HD13 -0.02 -0.02 0.05 -0.04 0.93 0.89 2h6bB1 LEU 131 HD23 -0.03 -0.00 -0.02 -0.04 0.89 0.80 2h6bB1 THR 132 H -0.04 0.65 -0.16 -0.55 8.28 8.17 2h6bB1 THR 132 HA 0.03 -0.01 0.51 -0.75 4.39 4.17 2h6bB1 THR 132 HB 0.02 0.26 0.26 -0.04 4.32 4.82 2h6bB1 THR 132 HG23 0.22 -0.08 -0.04 -0.04 1.22 1.29 2h6bB1 LYS 133 H -0.10 0.45 -0.21 -0.55 8.42 8.01 2h6bB1 LYS 133 HA -0.45 0.05 0.63 -0.75 4.32 3.80 2h6bB1 LYS 133 HB2 -0.06 0.12 0.20 -0.04 1.87 2.09 2h6bB1 LYS 133 HB3 -0.06 -0.06 0.03 -0.04 1.79 1.66 2h6bB1 LYS 133 HG2 -1.71 -0.04 0.01 -0.04 1.46 -0.33 2h6bB1 LYS 133 HG3 -0.51 0.15 0.04 -0.04 1.46 1.10 2h6bB1 LYS 133 HD2 -0.12 -0.01 -0.02 -0.04 1.69 1.50 2h6bB1 LYS 133 HD3 -0.16 -0.06 -0.01 -0.04 1.68 1.42 2h6bB1 LYS 133 HE2 -0.31 -0.05 -0.01 -0.04 2.99 2.57 2h6bB1 LYS 133 HE3 -0.19 0.04 -0.06 -0.04 2.99 2.73 2h6bB1 VAL 134 H 0.05 0.58 0.10 -0.55 8.24 8.42 2h6bB1 VAL 134 HA 0.12 -0.00 0.51 -0.75 4.13 4.01 2h6bB1 VAL 134 HB 0.03 0.08 0.16 -0.04 2.12 2.34 2h6bB1 VAL 134 HG13 0.02 -0.01 -0.09 -0.04 0.97 0.84 2h6bB1 VAL 134 HG23 0.03 0.04 0.04 -0.04 0.95 1.01 2h6bB1 ALA 135 H 0.04 0.77 -0.06 -0.55 8.40 8.60 2h6bB1 ALA 135 HA 0.03 -0.02 0.41 -0.75 4.34 4.01 2h6bB1 ALA 135 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 2h6bB1 TYR 136 H 0.15 0.41 -0.31 -0.55 8.29 7.99 2h6bB1 TYR 136 HA -0.02 0.04 0.49 -0.75 4.56 4.32 2h6bB1 TYR 136 HB2 0.07 0.03 0.17 -0.04 3.06 3.29 2h6bB1 TYR 136 HB3 -0.14 0.09 0.27 -0.04 2.98 3.15 2h6bB1 TYR 136 HD2 -0.73 -0.01 0.00 -0.04 7.15 6.37 2h6bB1 TYR 136 HE2 -0.21 -0.01 0.01 -0.04 6.85 6.61 2h6bB1 TYR 137 H 0.14 0.63 0.06 -0.55 8.29 8.57 2h6bB1 TYR 137 HA -0.16 0.07 0.47 -0.75 4.56 4.19 2h6bB1 TYR 137 HB2 0.06 0.05 0.15 -0.04 3.06 3.28 2h6bB1 TYR 137 HB3 0.04 -0.06 0.04 -0.04 2.98 2.96 2h6bB1 TYR 137 HD2 0.09 0.04 0.02 -0.04 7.15 7.26 2h6bB1 TYR 137 HE2 0.17 0.01 0.01 -0.04 6.85 7.00 2h6bB1 ALA 138 H 0.09 0.65 -0.02 -0.55 8.40 8.58 2h6bB1 ALA 138 HA 0.03 -0.01 0.51 -0.75 4.34 4.12 2h6bB1 ALA 138 HB3 0.02 0.00 0.08 -0.04 1.41 1.47 2h6bB1 ARG 139 H -0.04 0.48 -0.28 -0.55 8.46 8.07 2h6bB1 ARG 139 HA -0.04 -0.02 0.44 -0.75 4.34 3.97 2h6bB1 ARG 139 HB2 -0.03 0.10 0.19 -0.04 1.90 2.12 2h6bB1 ARG 139 HB3 -0.11 0.17 0.15 -0.04 1.80 1.96 2h6bB1 ARG 139 HG2 -0.06 -0.04 -0.15 -0.04 1.67 1.38 2h6bB1 ARG 139 HG3 -0.03 -0.07 0.07 -0.04 1.67 1.60 2h6bB1 ARG 139 HD2 -0.00 0.00 0.01 -0.04 3.22 3.19 2h6bB1 ARG 139 HD3 -0.02 0.05 -0.03 -0.04 3.22 3.18 2h6bB1 GLN 140 H -0.17 0.41 -0.26 -0.55 8.47 7.90 2h6bB1 GLN 140 HA -0.12 0.01 0.42 -0.75 4.36 3.92 2h6bB1 GLN 140 HB2 -0.11 0.06 0.21 -0.04 2.15 2.27 2h6bB1 GLN 140 HB3 -0.09 -0.06 0.03 -0.04 2.02 1.87 2h6bB1 GLN 140 HG2 -0.70 0.25 0.11 -0.04 2.40 2.01 2h6bB1 GLN 140 HG3 -0.66 -0.02 0.02 -0.04 2.39 1.69 2h6bB1 GLN 140 HE21 -0.07 -0.03 0.05 -0.04 6.97 6.88 2h6bB1 GLN 140 HE22 -0.07 -0.02 0.03 -0.04 7.69 7.59 2h6bB1 VAL 141 H -0.01 0.64 -0.03 -0.55 8.24 8.29 2h6bB1 VAL 141 HA 0.00 -0.01 0.38 -0.75 4.13 3.75 2h6bB1 VAL 141 HB 0.00 0.12 0.21 -0.04 2.12 2.41 2h6bB1 VAL 141 HG13 -0.00 -0.02 -0.11 -0.04 0.97 0.80 2h6bB1 VAL 141 HG23 0.04 0.03 0.06 -0.04 0.95 1.05 2h6bB1 ALA 142 H -0.03 0.48 -0.24 -0.55 8.40 8.06 2h6bB1 ALA 142 HA -0.04 0.01 0.33 -0.75 4.34 3.89 2h6bB1 ALA 142 HB3 -0.04 0.02 0.08 -0.04 1.41 1.43 2h6bB1 GLU 143 H -0.05 0.58 -0.02 -0.55 8.60 8.57 2h6bB1 GLU 143 HA -0.06 0.00 0.57 -0.75 4.29 4.05 2h6bB1 GLU 143 HB2 -0.05 0.15 0.23 -0.04 2.09 2.39 2h6bB1 GLU 143 HB3 -0.03 -0.05 -0.02 -0.04 1.99 1.85 2h6bB1 GLU 143 HG2 -0.03 -0.06 0.08 -0.04 2.34 2.28 2h6bB1 GLU 143 HG3 -0.04 0.05 0.10 -0.04 2.34 2.41 2h6bB1 MET 144 H -0.03 0.63 -0.15 -0.55 8.47 8.37 2h6bB1 MET 144 HA -0.01 0.02 0.43 -0.75 4.52 4.21 2h6bB1 MET 144 HB2 -0.01 0.12 0.13 -0.04 2.15 2.35 2h6bB1 MET 144 HB3 -0.00 -0.10 0.11 -0.04 2.03 2.00 2h6bB1 MET 144 HG2 -0.01 -0.07 0.03 -0.04 2.63 2.54 2h6bB1 MET 144 HG3 -0.02 0.23 0.12 -0.04 2.56 2.85 2h6bB1 MET 144 HE3 0.02 -0.01 -0.08 -0.04 2.10 1.99 2h6bB1 ASN 145 H -0.04 0.39 -0.35 -0.55 8.53 7.99 2h6bB1 ASN 145 HA -0.01 0.08 0.87 -0.75 4.76 4.94 2h6bB1 ASN 145 HB2 -0.03 0.14 0.07 -0.04 2.88 3.02 2h6bB1 ASN 145 HB3 -0.02 -0.11 0.18 -0.04 2.79 2.80 2h6bB1 ASN 145 HD21 -0.00 -0.12 -0.02 -0.04 7.03 6.84 2h6bB1 ASN 145 HD22 -0.01 0.81 0.14 -0.04 7.74 8.63 2h6bB1 THR 146 H -0.12 0.42 -0.29 -0.55 8.28 7.74 2h6bB1 THR 146 HA -0.19 0.04 0.46 -0.75 4.39 3.94 2h6bB1 THR 146 HB -0.43 -0.01 0.14 -0.04 4.32 3.99 2h6bB1 THR 146 HG23 -0.82 -0.03 -0.04 -0.04 1.22 0.29 2h6bB1 TYR 147 H -0.08 0.12 -0.35 -0.55 8.29 7.43 2h6bB1 TYR 147 HA -0.00 0.25 0.84 -0.75 4.56 4.90 2h6bB1 TYR 147 HB2 0.00 -0.02 0.04 -0.04 3.06 3.04 2h6bB1 TYR 147 HB3 -0.00 0.01 0.13 -0.04 2.98 3.08 2h6bB1 TYR 147 HD2 0.00 0.04 -0.02 -0.04 7.15 7.12 2h6bB1 TYR 147 HE2 0.01 -0.01 -0.03 -0.04 6.85 6.77 2h6bB1 ASN 148 H 0.01 0.53 -0.39 -0.55 8.53 8.13 2h6bB1 ASN 148 HA 0.03 0.04 0.47 -0.75 4.76 4.55 2h6bB1 ASN 148 HB2 -0.00 0.23 0.20 -0.04 2.88 3.27 2h6bB1 ASN 148 HB3 0.01 -0.04 0.10 -0.04 2.79 2.82 2h6bB1 ASN 148 HD21 0.00 -0.06 0.05 -0.04 7.03 6.98 2h6bB1 ASN 148 HD22 -0.00 0.09 0.09 -0.04 7.74 7.88 2h6bB1 PRO 149 HA 0.03 0.21 0.43 -0.51 4.44 4.61 2h6bB1 PRO 149 HB2 0.02 -0.08 0.03 -0.04 2.28 2.21 2h6bB1 PRO 149 HB3 0.02 0.06 0.07 -0.04 2.02 2.13 2h6bB1 PRO 149 HG2 0.02 -0.03 0.12 -0.04 2.03 2.11 2h6bB1 PRO 149 HG3 0.03 0.17 0.13 -0.04 2.03 2.32 2h6bB1 PRO 149 HD2 0.02 0.01 0.25 -0.04 3.68 3.91 2h6bB1 PRO 149 HD3 0.03 0.22 0.28 -0.04 3.65 4.14 2h6bB1 THR 150 H 0.02 0.16 -0.01 -0.55 8.28 7.91 2h6bB1 THR 150 HA 0.04 0.03 0.51 -0.75 4.39 4.21 2h6bB1 THR 150 HB 0.02 0.02 0.07 -0.04 4.32 4.39 2h6bB1 THR 150 HG23 0.03 0.02 -0.11 -0.04 1.22 1.13 2h6bB1 ILE 151 H 0.02 0.12 -0.34 -0.55 8.25 7.51 2h6bB1 ILE 151 HA 0.02 0.03 0.28 -0.75 4.18 3.76 2h6bB1 ILE 151 HB 0.01 0.10 0.04 -0.04 1.89 2.00 2h6bB1 ILE 151 HG12 -0.02 0.19 0.00 -0.04 1.49 1.63 2h6bB1 ILE 151 HG13 0.00 -0.21 -0.03 -0.04 1.21 0.93 2h6bB1 ILE 151 HG23 -0.00 0.05 -0.06 -0.04 0.93 0.88 2h6bB1 ILE 151 HD13 -0.02 0.01 -0.00 -0.04 0.88 0.83 2h6bB1 ARG 152 H 0.03 0.32 -0.35 -0.55 8.46 7.90 2h6bB1 ARG 152 HA 0.02 0.05 0.37 -0.75 4.34 4.03 2h6bB1 ARG 152 HB2 0.02 0.17 0.21 -0.04 1.90 2.26 2h6bB1 ARG 152 HB3 -0.00 -0.08 -0.02 -0.04 1.80 1.66 2h6bB1 ARG 152 HG2 0.02 0.00 0.05 -0.04 1.67 1.70 2h6bB1 ARG 152 HG3 0.06 -0.02 -0.00 -0.04 1.67 1.67 2h6bB1 ARG 152 HD2 0.11 -0.00 -0.09 -0.04 3.22 3.20 2h6bB1 ARG 152 HD3 0.05 -0.07 -0.26 -0.04 3.22 2.90 2h6bB1 ILE 153 H 0.01 0.43 -0.15 -0.55 8.25 7.99 2h6bB1 ILE 153 HA -0.13 0.01 0.41 -0.75 4.18 3.71 2h6bB1 ILE 153 HB 0.05 0.17 0.16 -0.04 1.89 2.23 2h6bB1 ILE 153 HG12 -0.05 -0.06 -0.03 -0.04 1.49 1.31 2h6bB1 ILE 153 HG13 -0.02 0.11 0.02 -0.04 1.21 1.28 2h6bB1 ILE 153 HG23 0.05 -0.03 -0.16 -0.04 0.93 0.75 2h6bB1 ILE 153 HD13 0.04 -0.03 -0.12 -0.04 0.88 0.72 2h6bB1 LEU 154 H 0.06 0.55 -0.12 -0.55 8.37 8.31 2h6bB1 LEU 154 HA 0.26 -0.04 0.41 -0.75 4.35 4.23 2h6bB1 LEU 154 HB2 0.05 0.16 0.02 -0.04 1.64 1.83 2h6bB1 LEU 154 HB3 0.09 0.00 -0.09 -0.04 1.64 1.60 2h6bB1 LEU 154 HG 0.08 0.12 -0.07 -0.04 1.64 1.74 2h6bB1 LEU 154 HD13 0.03 -0.02 -0.25 -0.04 0.93 0.65 2h6bB1 LEU 154 HD23 0.13 -0.03 -0.07 -0.04 0.89 0.88 2h6bB1 ARG 155 H 0.04 0.72 -0.17 -0.55 8.46 8.49 2h6bB1 ARG 155 HA 0.11 0.00 0.51 -0.75 4.34 4.21 2h6bB1 ARG 155 HB2 0.03 0.13 0.19 -0.04 1.90 2.21 2h6bB1 ARG 155 HB3 0.05 -0.09 0.02 -0.04 1.80 1.73 2h6bB1 ARG 155 HG2 0.03 -0.09 0.02 -0.04 1.67 1.58 2h6bB1 ARG 155 HG3 0.02 0.10 0.12 -0.04 1.67 1.87 2h6bB1 ARG 155 HD2 0.03 -0.04 -0.11 -0.04 3.22 3.05 2h6bB1 ARG 155 HD3 0.04 -0.12 -0.01 -0.04 3.22 3.09 2h6bB1 LEU 156 H -0.04 0.59 -0.12 -0.55 8.37 8.25 2h6bB1 LEU 156 HA -0.04 0.02 0.48 -0.75 4.35 4.06 2h6bB1 LEU 156 HB2 -0.14 0.09 0.13 -0.04 1.64 1.68 2h6bB1 LEU 156 HB3 -0.37 0.16 0.19 -0.04 1.64 1.58 2h6bB1 LEU 156 HG -0.30 -0.04 -0.23 -0.04 1.64 1.02 2h6bB1 LEU 156 HD13 -0.08 -0.01 -0.02 -0.04 0.93 0.77 2h6bB1 LEU 156 HD23 -0.24 -0.01 -0.03 -0.04 0.89 0.57 2h6bB1 PHE 157 H -0.11 0.56 -0.12 -0.55 8.34 8.11 2h6bB1 PHE 157 HA 0.01 -0.03 0.31 -0.75 4.62 4.17 2h6bB1 PHE 157 HB2 0.05 0.15 0.11 -0.04 3.15 3.42 2h6bB1 PHE 157 HB3 0.04 -0.07 -0.08 -0.04 3.06 2.91 2h6bB1 PHE 157 HD2 0.02 -0.01 -0.09 -0.04 7.28 7.17 2h6bB1 PHE 157 HE2 0.02 -0.02 -0.09 -0.04 7.38 7.25 2h6bB1 PHE 157 HZ 0.02 -0.03 -0.06 -0.04 7.32 7.21 2h6bB1 TYR 158 H 0.25 0.59 -0.29 -0.55 8.29 8.29 2h6bB1 TYR 158 HA 0.03 -0.04 0.21 -0.75 4.56 4.01 2h6bB1 TYR 158 HB2 0.04 0.04 -0.02 -0.04 3.06 3.08 2h6bB1 TYR 158 HB3 0.03 0.12 0.09 -0.04 2.98 3.18 2h6bB1 TYR 158 HD2 -0.00 0.01 -0.11 -0.04 7.15 7.01 2h6bB1 TYR 158 HE2 -0.02 -0.01 -0.05 -0.04 6.85 6.72 2h6bB1 GLU 159 H 0.08 0.53 -0.27 -0.55 8.60 8.39 2h6bB1 GLU 159 HA -0.15 0.01 0.48 -0.75 4.29 3.88 2h6bB1 GLU 159 HB2 0.06 0.17 0.15 -0.04 2.09 2.43 2h6bB1 GLU 159 HB3 0.00 0.08 0.18 -0.04 1.99 2.21 2h6bB1 GLU 159 HG2 0.01 -0.00 -0.02 -0.04 2.34 2.29 2h6bB1 GLU 159 HG3 -0.02 -0.05 -0.11 -0.04 2.34 2.11 2h6bB1 LEU 160 H -0.01 0.68 -0.02 -0.55 8.37 8.48 2h6bB1 LEU 160 HA -0.03 0.01 0.54 -0.75 4.35 4.11 2h6bB1 LEU 160 HB2 0.05 0.20 0.11 -0.04 1.64 1.96 2h6bB1 LEU 160 HB3 0.04 -0.03 -0.16 -0.04 1.64 1.45 2h6bB1 LEU 160 HG 0.02 -0.04 -0.07 -0.04 1.64 1.51 2h6bB1 LEU 160 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 2h6bB1 LEU 160 HD23 0.00 0.00 -0.13 -0.04 0.89 0.72 2h6bB1 CYS 161 H -0.06 0.59 -0.24 -0.55 8.50 8.24 2h6bB1 CYS 161 HA -0.07 -0.00 0.39 -0.75 4.58 4.13 2h6bB1 CYS 161 HB2 -0.06 0.04 0.02 -0.04 2.97 2.93 2h6bB1 CYS 161 HB3 -0.23 0.14 0.02 -0.04 2.97 2.86 2h6bB1 SER 162 H -0.31 0.39 -0.26 -0.55 8.46 7.72 2h6bB1 SER 162 HA -0.28 0.02 0.38 -0.75 4.49 3.85 2h6bB1 SER 162 HB2 -0.25 0.06 0.13 -0.04 3.95 3.85 2h6bB1 SER 162 HB3 -0.23 -0.07 0.05 -0.04 3.93 3.64 2h6bB1 SER 163 H -0.11 0.37 -0.15 -0.55 8.46 8.03 2h6bB1 SER 163 HA -0.05 0.14 0.78 -0.75 4.49 4.61 2h6bB1 SER 163 HB2 -0.03 -0.05 0.02 -0.04 3.95 3.85 2h6bB1 SER 163 HB3 -0.04 -0.03 0.06 -0.04 3.93 3.87 2h6bB1 GLN 164 H -0.04 0.55 0.09 -0.55 8.47 8.52 2h6bB1 GLN 164 HA -0.01 0.13 0.65 -0.75 4.36 4.38 2h6bB1 GLN 164 HB2 -0.00 0.04 0.02 -0.04 2.15 2.17 2h6bB1 GLN 164 HB3 0.00 -0.09 0.15 -0.04 2.02 2.04 2h6bB1 GLN 164 HG2 -0.02 0.01 0.06 -0.04 2.40 2.42 2h6bB1 GLN 164 HG3 -0.00 -0.05 -0.01 -0.04 2.39 2.29 2h6bB1 GLN 164 HE21 -0.01 0.01 -0.10 -0.04 6.97 6.83 2h6bB1 GLN 164 HE22 -0.02 -0.02 -0.08 -0.04 7.69 7.53 2h6bB1 GLY 165 H -0.05 0.35 -0.32 -0.55 8.43 7.87 2h6bB1 GLY 165 HA2 0.04 -0.00 0.42 -0.51 4.01 3.96 2h6bB1 GLY 165 HA3 -0.01 0.11 0.34 -0.51 4.01 3.93 2h6bB1 LYS 166 H 0.07 0.96 0.48 -0.55 8.42 9.37 2h6bB1 LYS 166 HA 0.06 0.13 0.83 -0.75 4.32 4.58 2h6bB1 LYS 166 HB2 0.02 0.08 0.19 -0.04 1.87 2.12 2h6bB1 LYS 166 HB3 0.00 -0.09 0.06 -0.04 1.79 1.72 2h6bB1 LYS 166 HG2 0.00 -0.06 0.02 -0.04 1.46 1.37 2h6bB1 LYS 166 HG3 0.01 0.00 0.07 -0.04 1.46 1.49 2h6bB1 ARG 167 H -0.01 0.16 0.20 -0.55 8.46 8.25 2h6bB1 ARG 167 HA -0.48 0.17 0.52 -0.75 4.34 3.80 2h6bB1 ARG 167 HB2 -0.37 0.04 0.10 -0.04 1.90 1.62 2h6bB1 ARG 167 HB3 -0.14 -0.05 0.15 -0.04 1.80 1.72 2h6bB1 ARG 167 HG2 -0.20 -0.14 -0.11 -0.04 1.67 1.18 2h6bB1 ARG 167 HG3 -0.46 0.14 -0.04 -0.04 1.67 1.27 2h6bB1 ARG 167 HD2 -0.65 -0.01 -0.04 -0.04 3.22 2.48 2h6bB1 ARG 167 HD3 -0.16 -0.07 0.00 -0.04 3.22 2.96 2h6bB1 VAL 168 H -0.26 0.74 -0.02 -0.55 8.24 8.16 2h6bB1 VAL 168 HA -0.08 0.09 0.67 -0.75 4.13 4.06 2h6bB1 VAL 168 HB -0.08 -0.05 -0.01 -0.04 2.12 1.93 2h6bB1 VAL 168 HG13 -0.04 -0.02 0.01 -0.04 0.97 0.88 2h6bB1 VAL 168 HG23 -0.05 0.04 -0.34 -0.04 0.95 0.56 2h6bB1 GLY 169 H -0.10 0.22 -0.03 -0.55 8.43 7.98 2h6bB1 GLY 169 HA2 -0.05 0.04 0.34 -0.51 4.01 3.82 2h6bB1 GLY 169 HA3 -0.04 0.02 0.52 -0.51 4.01 3.99 2h6bB1 ASP 170 H -0.03 0.12 0.29 -0.55 8.40 8.24 2h6bB1 ASP 170 HA -0.04 0.12 0.68 -0.75 4.63 4.64 2h6bB1 ASP 170 HB2 0.04 0.02 0.11 -0.04 2.71 2.84 2h6bB1 ASP 170 HB3 0.03 0.03 0.14 -0.04 2.70 2.85 2h6bB1 THR 171 H -0.07 0.17 -0.00 -0.55 8.28 7.83 2h6bB1 THR 171 HA -0.03 0.26 0.67 -0.75 4.39 4.54 2h6bB1 THR 171 HB -0.24 0.07 0.03 -0.04 4.32 4.14 2h6bB1 THR 171 HG23 -0.01 -0.03 0.02 -0.04 1.22 1.16 2h6bB1 TYR 172 H 0.09 0.54 0.30 -0.55 8.29 8.67 2h6bB1 TYR 172 HA -0.05 0.22 0.41 -0.75 4.56 4.39 2h6bB1 TYR 172 HB2 -0.06 -0.09 0.05 -0.04 3.06 2.92 2h6bB1 TYR 172 HB3 -0.05 0.03 -0.18 -0.04 2.98 2.74 2h6bB1 TYR 172 HD2 -0.03 0.02 -0.32 -0.04 7.15 6.78 2h6bB1 TYR 172 HE2 -0.00 -0.00 -0.06 -0.04 6.85 6.74 2h6bB1 GLU 173 H 0.03 0.90 0.26 -0.55 8.60 9.24 2h6bB1 GLU 173 HA -0.03 0.22 1.01 -0.75 4.29 4.73 2h6bB1 GLU 173 HB2 -0.02 0.11 0.10 -0.04 2.09 2.24 2h6bB1 GLU 173 HB3 -0.01 -0.03 -0.05 -0.04 1.99 1.85 2h6bB1 GLU 173 HG2 -0.04 -0.03 -0.05 -0.04 2.34 2.18 2h6bB1 GLU 173 HG3 -0.07 -0.03 -0.18 -0.04 2.34 2.01 2h6bB1 ILE 174 H -0.01 0.59 0.30 -0.55 8.25 8.59 2h6bB1 ILE 174 HA 0.02 0.31 0.80 -0.75 4.18 4.55 2h6bB1 ILE 174 HB 0.02 -0.10 0.16 -0.04 1.89 1.93 2h6bB1 ILE 174 HG12 0.01 0.13 -0.40 -0.04 1.49 1.19 2h6bB1 ILE 174 HG13 0.01 -0.06 -0.42 -0.04 1.21 0.70 2h6bB1 ILE 174 HG23 0.03 0.01 -0.24 -0.04 0.93 0.69 2h6bB1 ILE 174 HD13 0.03 -0.03 -0.23 -0.04 0.88 0.62 2h6bB1 THR 175 H 0.01 0.29 0.07 -0.55 8.28 8.09 2h6bB1 THR 175 HA 0.01 0.12 0.76 -0.75 4.39 4.52 2h6bB1 THR 175 HB 0.00 0.03 0.22 -0.04 4.32 4.53 2h6bB1 THR 175 HG23 0.00 0.01 0.01 -0.04 1.22 1.19 2h6bB1 MET 176 H 0.02 0.36 0.06 -0.55 8.47 8.36 2h6bB1 MET 176 HA 0.01 0.11 0.33 -0.75 4.52 4.22 2h6bB1 MET 176 HB2 0.01 0.01 -0.03 -0.04 2.15 2.11 2h6bB1 MET 176 HB3 0.01 0.14 -0.07 -0.04 2.03 2.07 2h6bB1 MET 176 HG2 0.03 -0.04 -0.31 -0.04 2.63 2.26 2h6bB1 MET 176 HG3 0.04 -0.11 -0.38 -0.04 2.56 2.07 2h6bB1 MET 176 HE3 0.01 0.01 -0.11 -0.04 2.10 1.97 2h6bB1 PRO 177 HA 0.02 0.35 0.80 -0.51 4.44 5.10 2h6bB1 PRO 177 HB2 0.01 -0.07 0.20 -0.04 2.28 2.39 2h6bB1 PRO 177 HB3 0.01 0.05 0.18 -0.04 2.02 2.21 2h6bB1 PRO 177 HG2 0.01 0.00 0.14 -0.04 2.03 2.14 2h6bB1 PRO 177 HG3 0.01 0.03 0.09 -0.04 2.03 2.12 2h6bB1 PRO 177 HD2 0.01 0.10 0.11 -0.04 3.68 3.86 2h6bB1 PRO 177 HD3 0.01 0.16 0.14 -0.04 3.65 3.92 2h6bB1 LEU 178 H 0.04 0.35 -0.20 -0.55 8.37 8.02 2h6bB1 LEU 178 HA 0.02 0.06 0.74 -0.75 4.35 4.42 2h6bB1 LEU 178 HB2 0.05 0.02 -0.11 -0.04 1.64 1.55 2h6bB1 LEU 178 HB3 0.09 0.03 0.05 -0.04 1.64 1.77 2h6bB1 LEU 178 HG 0.02 0.01 -0.23 -0.04 1.64 1.40 2h6bB1 LEU 178 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 2h6bB1 LEU 178 HD23 0.01 0.00 -0.11 -0.04 0.89 0.76 2h6bB1 SER 179 H 0.01 0.17 0.12 -0.55 8.46 8.21 2h6bB1 SER 179 HA 0.03 0.23 0.57 -0.75 4.49 4.56 2h6bB1 SER 179 HB2 0.01 -0.03 0.16 -0.04 3.95 4.04 2h6bB1 SER 179 HB3 0.01 0.18 0.10 -0.04 3.93 4.18 2h6bB1 GLN 180 H 0.03 0.23 0.17 -0.55 8.47 8.36 2h6bB1 GLN 180 HA 0.04 0.14 0.52 -0.75 4.36 4.31 2h6bB1 GLN 180 HB2 0.01 -0.05 0.12 -0.04 2.15 2.19 2h6bB1 GLN 180 HB3 0.03 0.01 -0.03 -0.04 2.02 1.99 2h6bB1 GLN 180 HG2 0.07 0.07 0.05 -0.04 2.40 2.54 2h6bB1 GLN 180 HG3 0.04 0.04 0.09 -0.04 2.39 2.52 2h6bB1 GLN 180 HE21 0.05 -0.02 0.02 -0.04 6.97 6.98 2h6bB1 GLN 180 HE22 0.06 0.06 0.01 -0.04 7.69 7.78 2h6bB1 LYS 181 H -0.00 0.10 -0.10 -0.55 8.42 7.86 2h6bB1 LYS 181 HA -0.01 0.09 0.49 -0.75 4.32 4.14 2h6bB1 LYS 181 HB2 -0.02 0.04 0.09 -0.04 1.87 1.93 2h6bB1 LYS 181 HB3 -0.01 -0.06 0.09 -0.04 1.79 1.78 2h6bB1 LYS 181 HG2 -0.01 0.02 -0.15 -0.04 1.46 1.28 2h6bB1 LYS 181 HG3 -0.02 0.01 -0.09 -0.04 1.46 1.33 2h6bB1 LYS 181 HD2 -0.03 -0.00 0.00 -0.04 1.69 1.63 2h6bB1 LYS 181 HD3 -0.02 0.00 0.00 -0.04 1.68 1.62 2h6bB1 LYS 181 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.91 2h6bB1 LYS 181 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 2h6bB1 SER 182 H -0.00 0.02 -0.33 -0.55 8.46 7.61 2h6bB1 SER 182 HA -0.01 0.07 0.32 -0.75 4.49 4.12 2h6bB1 SER 182 HB2 -0.00 0.09 0.15 -0.04 3.95 4.14 2h6bB1 SER 182 HB3 -0.01 0.07 0.02 -0.04 3.93 3.96 2h6bB1 ILE 183 H -0.01 0.64 -0.07 -0.55 8.25 8.26 2h6bB1 ILE 183 HA -0.08 0.03 0.39 -0.75 4.18 3.77 2h6bB1 ILE 183 HB -0.01 0.06 0.15 -0.04 1.89 2.04 2h6bB1 ILE 183 HG12 -0.18 -0.01 -0.04 -0.04 1.49 1.23 2h6bB1 ILE 183 HG13 -0.03 0.08 -0.05 -0.04 1.21 1.17 2h6bB1 ILE 183 HG23 -0.12 -0.00 -0.08 -0.04 0.93 0.69 2h6bB1 ILE 183 HD13 0.11 -0.02 -0.14 -0.04 0.88 0.79 2h6bB1 GLY 184 H -0.01 0.45 -0.31 -0.55 8.43 8.01 2h6bB1 GLY 184 HA2 -0.02 -0.04 0.40 -0.51 4.01 3.84 2h6bB1 GLY 184 HA3 -0.01 0.06 0.29 -0.51 4.01 3.84 2h6bB1 GLU 185 H -0.02 0.45 -0.12 -0.55 8.60 8.37 2h6bB1 GLU 185 HA -0.01 0.04 0.57 -0.75 4.29 4.14 2h6bB1 GLU 185 HB2 -0.02 0.03 0.15 -0.04 2.09 2.21 2h6bB1 GLU 185 HB3 -0.01 -0.02 -0.01 -0.04 1.99 1.91 2h6bB1 GLU 185 HG2 -0.01 -0.03 0.02 -0.04 2.34 2.28 2h6bB1 GLU 185 HG3 -0.01 0.14 0.05 -0.04 2.34 2.47 2h6bB1 ILE 186 H -0.03 0.59 -0.02 -0.55 8.25 8.24 2h6bB1 ILE 186 HA -0.03 0.06 0.57 -0.75 4.18 4.02 2h6bB1 ILE 186 HB -0.05 0.04 0.10 -0.04 1.89 1.93 2h6bB1 ILE 186 HG12 -0.03 -0.01 -0.00 -0.04 1.49 1.41 2h6bB1 ILE 186 HG13 -0.03 -0.00 0.02 -0.04 1.21 1.16 2h6bB1 ILE 186 HG23 -0.05 -0.01 -0.16 -0.04 0.93 0.67 2h6bB1 ILE 186 HD13 -0.04 -0.03 -0.12 -0.04 0.88 0.65 2h6bB1 THR 187 H -0.04 0.49 -0.05 -0.55 8.28 8.14 2h6bB1 THR 187 HA -0.04 0.15 0.53 -0.75 4.39 4.27 2h6bB1 THR 187 HB -0.02 -0.03 -0.04 -0.04 4.32 4.19 2h6bB1 THR 187 HG23 -0.07 -0.01 -0.09 -0.04 1.22 1.01 2h6bB1 GLY 188 H -0.02 0.33 -0.25 -0.55 8.43 7.94 2h6bB1 GLY 188 HA2 -0.01 0.04 0.28 -0.51 4.01 3.81 2h6bB1 GLY 188 HA3 -0.02 0.08 0.50 -0.51 4.01 4.06 2h6bB1 VAL 189 H -0.01 0.14 0.06 -0.55 8.24 7.88 2h6bB1 VAL 189 HA 0.03 0.26 1.15 -0.75 4.13 4.82 2h6bB1 VAL 189 HB 0.02 0.00 0.06 -0.04 2.12 2.16 2h6bB1 VAL 189 HG13 0.00 0.07 -0.16 -0.04 0.97 0.84 2h6bB1 VAL 189 HG23 0.03 -0.04 -0.17 -0.04 0.95 0.72 2h6bB1 HIS 190 H 0.10 0.13 0.16 -0.55 8.41 8.25 2h6bB1 HIS 190 HA -0.03 0.13 0.32 -0.75 4.63 4.31 2h6bB1 HIS 190 HB2 -0.06 0.15 0.15 -0.04 3.26 3.47 2h6bB1 HIS 190 HB3 -0.09 -0.08 0.13 -0.04 3.20 3.12 2h6bB1 HIS 190 HD2 -0.06 0.11 0.06 -0.04 6.97 7.03 2h6bB1 HIS 190 HE1 -0.78 0.07 0.04 -0.04 7.75 7.03 2h6bB1 HIS 191 H -0.91 0.20 0.18 -0.55 8.41 7.33 2h6bB1 HIS 191 HA -0.11 0.13 0.35 -0.75 4.63 4.25 2h6bB1 HIS 191 HB2 -0.10 -0.00 0.06 -0.04 3.26 3.18 2h6bB1 HIS 191 HB3 -0.19 0.07 0.12 -0.04 3.20 3.15 2h6bB1 HIS 191 HD2 -0.34 0.05 0.07 -0.04 6.97 6.70 2h6bB1 HIS 191 HE1 0.09 0.04 -0.02 -0.04 7.75 7.81 2h6bB1 VAL 192 H -0.10 0.09 -0.26 -0.55 8.24 7.42 2h6bB1 VAL 192 HA 0.10 0.09 0.38 -0.75 4.13 3.95 2h6bB1 VAL 192 HB 0.14 -0.03 0.07 -0.04 2.12 2.27 2h6bB1 VAL 192 HG13 0.02 0.02 -0.11 -0.04 0.97 0.87 2h6bB1 VAL 192 HG23 -0.01 0.01 0.02 -0.04 0.95 0.93 2h6bB1 THR 193 H 0.09 0.13 -0.18 -0.55 8.28 7.77 2h6bB1 THR 193 HA 0.04 0.05 0.45 -0.75 4.39 4.17 2h6bB1 THR 193 HB 0.04 0.12 0.05 -0.04 4.32 4.49 2h6bB1 THR 193 HG23 0.03 0.01 -0.07 -0.04 1.22 1.15 2h6bB1 VAL 194 H 0.04 0.34 -0.34 -0.55 8.24 7.73 2h6bB1 VAL 194 HA 0.06 0.04 0.25 -0.75 4.13 3.72 2h6bB1 VAL 194 HB 0.05 0.04 0.12 -0.04 2.12 2.29 2h6bB1 VAL 194 HG13 0.05 0.02 -0.05 -0.04 0.97 0.95 2h6bB1 VAL 194 HG23 0.01 0.06 -0.14 -0.04 0.95 0.84 2h6bB1 SER 195 H 0.07 0.54 -0.03 -0.55 8.46 8.49 2h6bB1 SER 195 HA 0.06 -0.00 0.48 -0.75 4.49 4.28 2h6bB1 SER 195 HB2 0.07 0.10 0.13 -0.04 3.95 4.21 2h6bB1 SER 195 HB3 0.05 -0.03 0.03 -0.04 3.93 3.95 2h6bB1 ARG 196 H 0.05 0.51 -0.13 -0.55 8.46 8.34 2h6bB1 ARG 196 HA 0.04 0.00 0.36 -0.75 4.34 3.98 2h6bB1 ARG 196 HB2 0.03 0.01 0.12 -0.04 1.90 2.02 2h6bB1 ARG 196 HB3 0.03 0.06 0.20 -0.04 1.80 2.05 2h6bB1 ARG 196 HG2 0.03 0.01 -0.16 -0.04 1.67 1.51 2h6bB1 ARG 196 HG3 0.02 -0.03 0.02 -0.04 1.67 1.65 2h6bB1 ARG 196 HD2 0.01 0.01 -0.02 -0.04 3.22 3.18 2h6bB1 ARG 196 HD3 0.01 -0.01 -0.00 -0.04 3.22 3.18 2h6bB1 VAL 197 H 0.05 0.66 -0.11 -0.55 8.24 8.30 2h6bB1 VAL 197 HA 0.05 -0.02 0.35 -0.75 4.13 3.77 2h6bB1 VAL 197 HB 0.08 0.12 0.13 -0.04 2.12 2.41 2h6bB1 VAL 197 HG13 0.11 -0.01 -0.08 -0.04 0.97 0.95 2h6bB1 VAL 197 HG23 0.05 0.00 0.05 -0.04 0.95 1.01 2h6bB1 LEU 198 H 0.08 0.62 -0.07 -0.55 8.37 8.46 2h6bB1 LEU 198 HA 0.07 -0.00 0.47 -0.75 4.35 4.13 2h6bB1 LEU 198 HB2 0.09 0.14 0.20 -0.04 1.64 2.03 2h6bB1 LEU 198 HB3 0.06 -0.04 0.10 -0.04 1.64 1.72 2h6bB1 LEU 198 HG 0.11 -0.05 0.07 -0.04 1.64 1.72 2h6bB1 LEU 198 HD13 0.32 0.02 -0.04 -0.04 0.93 1.18 2h6bB1 LEU 198 HD23 0.16 -0.01 -0.00 -0.04 0.89 1.00 2h6bB1 ALA 199 H 0.04 0.74 -0.03 -0.55 8.40 8.61 2h6bB1 ALA 199 HA 0.02 -0.05 0.47 -0.75 4.34 4.03 2h6bB1 ALA 199 HB3 0.03 0.02 0.13 -0.04 1.41 1.55 2h6bB1 CYS 200 H 0.03 0.64 0.00 -0.55 8.50 8.62 2h6bB1 CYS 200 HA 0.02 0.01 0.52 -0.75 4.58 4.37 2h6bB1 CYS 200 HB2 0.03 0.11 0.15 -0.04 2.97 3.22 2h6bB1 CYS 200 HB3 0.03 -0.04 -0.08 -0.04 2.97 2.84 2h6bB1 LEU 201 H 0.03 0.67 -0.00 -0.55 8.37 8.52 2h6bB1 LEU 201 HA 0.02 -0.02 0.50 -0.75 4.35 4.09 2h6bB1 LEU 201 HB2 -0.02 0.13 0.22 -0.04 1.64 1.93 2h6bB1 LEU 201 HB3 -0.05 -0.07 0.08 -0.04 1.64 1.56 2h6bB1 LEU 201 HG 0.05 0.11 0.05 -0.04 1.64 1.81 2h6bB1 LEU 201 HD13 0.02 -0.02 -0.09 -0.04 0.93 0.79 2h6bB1 LEU 201 HD23 0.03 -0.02 -0.02 -0.04 0.89 0.84 2h6bB1 LYS 202 H 0.01 0.49 -0.09 -0.55 8.42 8.27 2h6bB1 LYS 202 HA 0.02 0.02 0.52 -0.75 4.32 4.13 2h6bB1 LYS 202 HB2 0.01 -0.04 0.22 -0.04 1.87 2.02 2h6bB1 LYS 202 HB3 0.01 0.09 0.25 -0.04 1.79 2.09 2h6bB1 LYS 202 HG2 -0.01 0.03 -0.22 -0.04 1.46 1.22 2h6bB1 LYS 202 HG3 0.01 -0.07 0.02 -0.04 1.46 1.38 2h6bB1 LYS 202 HD2 0.01 -0.02 0.03 -0.04 1.69 1.67 2h6bB1 LYS 202 HD3 0.01 0.02 0.01 -0.04 1.68 1.68 2h6bB1 LYS 202 HE2 -0.00 0.01 -0.03 -0.04 2.99 2.93 2h6bB1 LYS 202 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.91 2h6bB1 ARG 203 H 0.00 0.65 0.10 -0.55 8.46 8.66 2h6bB1 ARG 203 HA -0.02 0.02 0.29 -0.75 4.34 3.88 2h6bB1 ARG 203 HB2 -0.01 -0.05 0.13 -0.04 1.90 1.93 2h6bB1 ARG 203 HB3 -0.00 0.00 0.16 -0.04 1.80 1.92 2h6bB1 ARG 203 HG2 0.01 0.12 0.12 -0.04 1.67 1.87 2h6bB1 ARG 203 HG3 0.00 0.02 -0.35 -0.04 1.67 1.31 2h6bB1 ARG 203 HD2 0.00 -0.02 -0.04 -0.04 3.22 3.12 2h6bB1 ARG 203 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.13 2h6bB1 GLU 204 H 0.00 0.31 -0.58 -0.55 8.60 7.78 2h6bB1 GLU 204 HA -0.01 0.15 0.78 -0.75 4.29 4.46 2h6bB1 GLU 204 HB2 0.02 0.02 0.03 -0.04 2.09 2.12 2h6bB1 GLU 204 HB3 0.01 -0.06 0.11 -0.04 1.99 2.01 2h6bB1 GLU 204 HG2 0.01 0.05 -0.01 -0.04 2.34 2.34 2h6bB1 GLU 204 HG3 0.02 -0.06 -0.03 -0.04 2.34 2.23 2h6bB1 ASN 205 H -0.02 0.49 -0.27 -0.55 8.53 8.18 2h6bB1 ASN 205 HA -0.10 0.02 0.31 -0.75 4.76 4.23 2h6bB1 ASN 205 HB2 -0.03 0.21 -0.02 -0.04 2.88 3.00 2h6bB1 ASN 205 HB3 -0.10 -0.09 0.15 -0.04 2.79 2.71 2h6bB1 ASN 205 HD21 -0.06 -0.02 -0.07 -0.04 7.03 6.84 2h6bB1 ASN 205 HD22 -0.04 0.01 -0.15 -0.04 7.74 7.52 2h6bB1 ILE 206 H 0.05 0.51 0.12 -0.55 8.25 8.38 2h6bB1 ILE 206 HA 0.10 0.09 0.88 -0.75 4.18 4.50 2h6bB1 ILE 206 HB 0.03 0.08 0.17 -0.04 1.89 2.13 2h6bB1 ILE 206 HG12 0.05 -0.06 -0.05 -0.04 1.49 1.39 2h6bB1 ILE 206 HG13 0.04 0.13 -0.43 -0.04 1.21 0.91 2h6bB1 ILE 206 HG23 0.04 0.01 -0.09 -0.04 0.93 0.85 2h6bB1 ILE 206 HD13 0.04 0.00 -0.07 -0.04 0.88 0.81 2h6bB1 LEU 207 H 0.07 0.46 0.11 -0.55 8.37 8.46 2h6bB1 LEU 207 HA 0.02 0.23 0.89 -0.75 4.35 4.74 2h6bB1 LEU 207 HB2 -0.09 0.06 -0.31 -0.04 1.64 1.27 2h6bB1 LEU 207 HB3 -0.14 -0.05 -0.10 -0.04 1.64 1.32 2h6bB1 LEU 207 HG -0.28 0.08 -0.23 -0.04 1.64 1.17 2h6bB1 LEU 207 HD13 -0.57 -0.00 -0.15 -0.04 0.93 0.18 2h6bB1 LEU 207 HD23 -0.58 -0.02 -0.42 -0.04 0.89 -0.16 2h6bB1 ASP 208 H 0.02 0.75 0.31 -0.55 8.40 8.93 2h6bB1 ASP 208 HA 0.01 0.13 0.90 -0.75 4.63 4.92 2h6bB1 ASP 208 HB2 0.25 0.03 -0.02 -0.04 2.71 2.93 2h6bB1 ASP 208 HB3 0.18 -0.04 0.19 -0.04 2.70 2.98 2h6bB1 LYS 209 H -0.03 0.20 0.09 -0.55 8.42 8.13 2h6bB1 LYS 209 HA -0.03 0.12 0.91 -0.75 4.32 4.56 2h6bB1 LYS 209 HB2 -0.10 -0.03 0.04 -0.04 1.87 1.74 2h6bB1 LYS 209 HB3 0.04 -0.04 0.23 -0.04 1.79 1.97 2h6bB1 LYS 209 HG2 0.09 0.12 0.04 -0.04 1.46 1.66 2h6bB1 LYS 209 HG3 0.27 -0.05 -0.02 -0.04 1.46 1.63 2h6bB1 LYS 209 HD2 0.17 0.05 -0.06 -0.04 1.69 1.80 2h6bB1 LYS 209 HD3 0.13 -0.15 0.00 -0.04 1.68 1.62 2h6bB1 LYS 209 HE2 0.05 -0.04 -0.40 -0.04 2.99 2.56 2h6bB1 LYS 209 HE3 0.07 0.15 -0.05 -0.04 2.99 3.12 2h6bB1 LYS 210 H 0.01 0.34 0.30 -0.55 8.42 8.51 2h6bB1 LYS 210 HA 0.02 0.10 0.68 -0.75 4.32 4.37 2h6bB1 LYS 210 HB2 0.01 0.01 0.17 -0.04 1.87 2.03 2h6bB1 LYS 210 HB3 0.02 -0.10 0.20 -0.04 1.79 1.86 2h6bB1 LYS 210 HG2 0.03 -0.03 -0.13 -0.04 1.46 1.28 2h6bB1 LYS 210 HG3 0.02 0.08 0.01 -0.04 1.46 1.52 2h6bB1 LYS 210 HD2 0.03 0.02 -0.02 -0.04 1.69 1.68 2h6bB1 LYS 210 HD3 0.02 -0.04 0.02 -0.04 1.68 1.65 2h6bB1 LYS 210 HE2 0.03 0.00 -0.01 -0.04 2.99 2.97 2h6bB1 LYS 210 HE3 0.04 -0.01 -0.05 -0.04 2.99 2.93 2h6bB1 LYS 211 H 0.02 0.10 0.17 -0.55 8.42 8.16 2h6bB1 LYS 211 HA 0.02 0.11 0.23 -0.75 4.32 3.93 2h6bB1 ASN 212 H 0.01 -0.05 -0.09 -0.55 8.53 7.86 2h6bB1 ASN 212 HA 0.02 0.18 0.65 -0.75 4.76 4.85 2h6bB1 ASN 212 HB2 0.01 -0.02 -0.05 -0.04 2.88 2.77 2h6bB1 ASN 212 HB3 0.01 0.03 0.02 -0.04 2.79 2.81 2h6bB1 ASN 212 HD21 0.01 0.03 -0.11 -0.04 7.03 6.92 2h6bB1 ASN 212 HD22 0.01 -0.03 -0.08 -0.04 7.74 7.60 2h6bB1 LYS 213 H 0.02 0.04 -0.11 -0.55 8.42 7.81 2h6bB1 LYS 213 HA 0.01 0.24 0.84 -0.75 4.32 4.65 2h6bB1 LYS 213 HB2 0.00 -0.01 -0.19 -0.04 1.87 1.64 2h6bB1 LYS 213 HB3 0.00 -0.10 0.00 -0.04 1.79 1.66 2h6bB1 LYS 213 HG2 -0.02 -0.03 -0.18 -0.04 1.46 1.19 2h6bB1 LYS 213 HG3 -0.01 0.09 -0.04 -0.04 1.46 1.46 2h6bB1 ILE 214 H 0.01 0.86 0.39 -0.55 8.25 8.96 2h6bB1 ILE 214 HA -0.02 0.14 1.08 -0.75 4.18 4.62 2h6bB1 ILE 214 HB 0.02 -0.03 0.16 -0.04 1.89 2.00 2h6bB1 ILE 214 HG12 0.07 -0.01 0.04 -0.04 1.49 1.56 2h6bB1 ILE 214 HG13 0.06 0.03 -0.18 -0.04 1.21 1.08 2h6bB1 ILE 214 HG23 -0.11 -0.01 -0.23 -0.04 0.93 0.54 2h6bB1 ILE 214 HD13 0.23 -0.01 -0.08 -0.04 0.88 0.98 2h6bB1 ILE 215 H -0.07 0.62 0.29 -0.55 8.25 8.54 2h6bB1 ILE 215 HA -0.14 0.36 1.36 -0.75 4.18 5.00 2h6bB1 ILE 215 HB -0.23 -0.07 0.13 -0.04 1.89 1.67 2h6bB1 ILE 215 HG12 -0.11 0.04 -0.07 -0.04 1.49 1.31 2h6bB1 ILE 215 HG13 -0.07 -0.12 -0.41 -0.04 1.21 0.58 2h6bB1 ILE 215 HG23 -0.67 0.01 -0.23 -0.04 0.93 -0.01 2h6bB1 ILE 215 HD13 0.02 -0.00 -0.05 -0.04 0.88 0.81 2h6bB1 VAL 216 H -0.16 0.85 0.32 -0.55 8.24 8.70 2h6bB1 VAL 216 HA -0.11 0.15 0.99 -0.75 4.13 4.40 2h6bB1 VAL 216 HB 0.04 -0.04 0.16 -0.04 2.12 2.23 2h6bB1 VAL 216 HG13 0.02 -0.02 -0.18 -0.04 0.97 0.74 2h6bB1 VAL 216 HG23 -0.06 0.02 -0.18 -0.04 0.95 0.69 2h6bB1 TYR 217 H 0.06 0.35 -0.07 -0.55 8.29 8.09 2h6bB1 TYR 217 HA 0.03 0.07 0.63 -0.75 4.56 4.54 2h6bB1 TYR 217 HB2 0.01 0.17 -0.27 -0.04 3.06 2.92 2h6bB1 TYR 217 HB3 0.01 0.01 0.00 -0.04 2.98 2.96 2h6bB1 TYR 217 HD2 -0.01 -0.02 -0.23 -0.04 7.15 6.85 2h6bB1 TYR 217 HE2 -0.01 -0.03 -0.07 -0.04 6.85 6.70 2h6bB1 ASN 218 H 0.11 0.48 0.03 -0.55 8.53 8.60 2h6bB1 ASN 218 HA 0.10 0.18 0.93 -0.75 4.76 5.22 2h6bB1 ASN 218 HB2 0.09 0.25 -0.03 -0.04 2.88 3.15 2h6bB1 ASN 218 HB3 0.08 -0.05 0.28 -0.04 2.79 3.05 2h6bB1 ASN 218 HD21 0.02 -0.01 0.03 -0.04 7.03 7.03 2h6bB1 ASN 218 HD22 0.04 0.16 0.03 -0.04 7.74 7.93 2h6bB1 LEU 219 H 0.12 0.35 -0.06 -0.55 8.37 8.23 2h6bB1 LEU 219 HA 0.07 0.08 0.47 -0.75 4.35 4.22 2h6bB1 LEU 219 HB2 0.00 0.07 0.02 -0.04 1.64 1.70 2h6bB1 LEU 219 HB3 0.12 0.02 0.07 -0.04 1.64 1.80 2h6bB1 LEU 219 HG 0.06 -0.02 -0.30 -0.04 1.64 1.34 2h6bB1 LEU 219 HD13 0.03 -0.01 -0.01 -0.04 0.93 0.90 2h6bB1 LEU 219 HD23 -0.43 0.03 -0.08 -0.04 0.89 0.37 2h6bB1 GLY 220 H 0.08 0.15 -0.11 -0.55 8.43 8.01 2h6bB1 GLY 220 HA2 0.06 0.10 0.34 -0.51 4.01 4.00 2h6bB1 GLY 220 HA3 0.05 0.08 0.25 -0.51 4.01 3.88 2h6bB1 GLU 221 H 0.05 0.10 -0.29 -0.55 8.60 7.92 2h6bB1 GLU 221 HA 0.07 0.08 0.55 -0.75 4.29 4.23 2h6bB1 GLU 221 HB2 0.03 -0.01 0.08 -0.04 2.09 2.16 2h6bB1 GLU 221 HB3 0.06 0.11 0.10 -0.04 1.99 2.22 2h6bB1 GLU 221 HG2 0.05 0.06 -0.04 -0.04 2.34 2.37 2h6bB1 GLU 221 HG3 0.07 -0.02 -0.23 -0.04 2.34 2.12 2h6bB1 LEU 222 H 0.07 0.54 -0.03 -0.55 8.37 8.40 2h6bB1 LEU 222 HA 0.07 0.01 0.39 -0.75 4.35 4.06 2h6bB1 LEU 222 HB2 0.07 -0.01 0.05 -0.04 1.64 1.70 2h6bB1 LEU 222 HB3 0.10 0.06 0.16 -0.04 1.64 1.92 2h6bB1 LEU 222 HG 0.19 0.05 -0.41 -0.04 1.64 1.42 2h6bB1 LEU 222 HD13 0.14 0.00 -0.01 -0.04 0.93 1.02 2h6bB1 LEU 222 HD23 0.14 -0.02 -0.21 -0.04 0.89 0.76 2h6bB1 LYS 223 H 0.06 0.62 -0.19 -0.55 8.42 8.36 2h6bB1 LYS 223 HA -0.40 0.04 0.46 -0.75 4.32 3.66 2h6bB1 LYS 223 HB2 0.02 0.06 0.08 -0.04 1.87 1.99 2h6bB1 LYS 223 HB3 -0.02 0.11 0.09 -0.04 1.79 1.93 2h6bB1 LYS 223 HG2 -0.24 -0.02 -0.21 -0.04 1.46 0.95 2h6bB1 LYS 223 HG3 -1.00 -0.02 -0.00 -0.04 1.46 0.40 2h6bB1 LYS 223 HD2 0.18 0.01 -0.04 -0.04 1.69 1.79 2h6bB1 LYS 223 HD3 0.02 -0.01 -0.04 -0.04 1.68 1.61 2h6bB1 LYS 223 HE2 -0.08 -0.02 -0.07 -0.04 2.99 2.78 2h6bB1 LYS 223 HE3 0.01 0.01 -0.05 -0.04 2.99 2.92 2h6bB1 HIS 224 H 0.08 0.52 -0.11 -0.55 8.41 8.36 2h6bB1 HIS 224 HA -0.06 -0.01 0.52 -0.75 4.63 4.32 2h6bB1 HIS 224 HB2 -0.02 0.03 0.19 -0.04 3.26 3.43 2h6bB1 HIS 224 HB3 -0.01 0.19 0.23 -0.04 3.20 3.56 2h6bB1 HIS 224 HD2 -0.02 -0.02 0.04 -0.04 6.97 6.93 2h6bB1 HIS 224 HE1 -0.01 -0.02 -0.05 -0.04 7.75 7.63 2h6bB1 LEU 225 H 0.04 0.66 -0.12 -0.55 8.37 8.40 2h6bB1 LEU 225 HA -0.17 0.03 0.34 -0.75 4.35 3.79 2h6bB1 LEU 225 HB2 0.02 0.08 0.07 -0.04 1.64 1.77 2h6bB1 LEU 225 HB3 0.00 -0.08 0.03 -0.04 1.64 1.55 2h6bB1 LEU 225 HG 0.13 0.12 0.03 -0.04 1.64 1.87 2h6bB1 LEU 225 HD13 0.06 -0.03 -0.11 -0.04 0.93 0.81 2h6bB1 LEU 225 HD23 0.05 -0.02 -0.03 -0.04 0.89 0.85 2h6bB1 SER 226 H -0.08 0.33 -0.48 -0.55 8.46 7.68 2h6bB1 SER 226 HA -0.02 -0.03 0.26 -0.75 4.49 3.95 2h6bB1 SER 226 HB2 -0.02 -0.08 -0.12 -0.04 3.95 3.68 2h6bB1 SER 226 HB3 -0.03 0.10 -0.05 -0.04 3.93 3.91 2h6bB1 GLU 227 H -0.14 0.31 -0.44 -0.55 8.60 7.78 2h6bB1 GLU 227 HA -0.11 0.04 0.28 -0.75 4.29 3.75 2h6bB1 GLU 227 HB2 -0.05 0.11 -0.36 -0.04 2.09 1.75 2h6bB1 GLU 227 HB3 -0.06 -0.05 0.09 -0.04 1.99 1.93 2h6bB1 GLU 227 HG2 -0.12 0.01 -0.00 -0.04 2.34 2.18 2h6bB1 GLU 227 HG3 -0.09 0.16 -0.12 -0.04 2.34 2.24 2h6bB1 GLN 228 H -0.12 0.12 -0.01 -0.55 8.47 7.91 2h6bB1 GLN 228 HA -0.04 0.08 0.56 -0.75 4.36 4.20 2h6bB1 GLN 228 HB2 -0.10 -0.04 0.06 -0.04 2.15 2.02 2h6bB1 GLN 228 HB3 -0.05 -0.01 0.01 -0.04 2.02 1.94 2h6bB1 GLN 228 HG2 -0.33 0.09 -0.03 -0.04 2.40 2.09 2h6bB1 GLN 228 HG3 -0.37 -0.04 -0.02 -0.04 2.39 1.91 2h6bB1 GLN 228 HE21 0.05 0.00 -0.06 -0.04 6.97 6.92 2h6bB1 GLN 228 HE22 -0.27 -0.01 -0.14 -0.04 7.69 7.22 2h6bB1 THR 229 H 0.01 0.24 0.24 -0.55 8.28 8.23 2h6bB1 THR 229 HA 0.01 0.15 0.77 -0.75 4.39 4.57 2h6bB1 THR 229 HB 0.05 -0.16 0.06 -0.04 4.32 4.23 2h6bB1 THR 229 HG23 -0.00 0.07 -0.08 -0.04 1.22 1.16 2h6bB1 SER 230 H 0.05 0.04 0.15 -0.55 8.46 8.15 2h6bB1 SER 230 HA 0.07 0.16 0.65 -0.75 4.49 4.62 2h6bB1 SER 230 HB2 0.03 -0.04 0.12 -0.04 3.95 4.02 2h6bB1 SER 230 HB3 0.03 0.15 -0.33 -0.04 3.93 3.75 2h6bB1 TYR 231 H 0.12 0.09 0.15 -0.55 8.29 8.11 2h6bB1 TYR 231 HA -0.10 0.05 0.40 -0.75 4.56 4.16 2h6bB1 TYR 231 HB2 -0.14 0.01 0.13 -0.04 3.06 3.03 2h6bB1 TYR 231 HB3 -0.26 -0.02 0.11 -0.04 2.98 2.77 2h6bB1 TYR 231 HD2 -0.75 -0.05 -0.05 -0.04 7.15 6.26 2h6bB1 TYR 231 HE2 -0.28 0.03 -0.13 -0.04 6.85 6.44 2h6bB1 TYR 232 H 0.08 0.03 -0.23 -0.55 8.29 7.62 2h6bB1 TYR 232 HA -0.31 0.16 0.33 -0.75 4.56 3.99 2h6bB1 TYR 232 HB2 0.01 -0.04 0.01 -0.04 3.06 2.99 2h6bB1 TYR 232 HB3 -0.03 0.05 -0.01 -0.04 2.98 2.95 2h6bB1 TYR 232 HD2 0.02 0.02 -0.00 -0.04 7.15 7.15 2h6bB1 TYR 232 HE2 0.11 0.02 -0.02 -0.04 6.85 6.92 2h6bB1 SER 233 H 0.03 0.05 -0.25 -0.55 8.46 7.74 2h6bB1 SER 233 HA 0.00 0.18 0.84 -0.75 4.49 4.76 2h6bB1 SER 233 HB2 0.01 -0.01 0.02 -0.04 3.95 3.93 2h6bB1 SER 233 HB3 0.03 -0.01 0.04 -0.04 3.93 3.95 2h6bB1 ASP 234 H -0.05 0.56 0.05 -0.55 8.40 8.42 2h6bB1 ASP 234 HA -0.02 0.07 0.41 -0.75 4.63 4.33 2h6bB1 ASP 234 HB2 -0.01 0.05 0.03 -0.04 2.71 2.74 2h6bB1 ASP 234 HB3 -0.07 0.02 0.09 -0.04 2.70 2.70 2h6bB1 PRO 235 HA -0.05 0.16 0.45 -0.51 4.44 4.49 2h6bB1 PRO 235 HB2 -0.02 0.01 0.02 -0.04 2.28 2.26 2h6bB1 PRO 235 HB3 -0.02 0.06 0.13 -0.04 2.02 2.14 2h6bB1 PRO 235 HG2 -0.01 -0.01 0.06 -0.04 2.03 2.03 2h6bB1 PRO 235 HG3 -0.01 0.05 0.07 -0.04 2.03 2.10 2h6bB1 PRO 235 HD2 -0.01 0.04 0.22 -0.04 3.68 3.88 2h6bB1 PRO 235 HD3 -0.02 0.19 0.18 -0.04 3.65 3.96 2h6bB1 ASN 236 H -0.04 0.05 -0.37 -0.55 8.53 7.63 2h6bB1 ASN 236 HA -0.01 0.02 0.38 -0.75 4.76 4.40 2h6bB1 ASN 236 HB2 0.02 -0.01 0.02 -0.04 2.88 2.87 2h6bB1 ASN 236 HB3 0.09 0.05 -0.05 -0.04 2.79 2.83 2h6bB1 ASN 236 HD21 0.02 -0.01 -0.01 -0.04 7.03 7.00 2h6bB1 ASN 236 HD22 0.05 0.01 -0.01 -0.04 7.74 7.74 2h6bB1 SER 237 H -0.23 0.42 -0.33 -0.55 8.46 7.78 2h6bB1 SER 237 HA -0.21 0.16 0.55 -0.75 4.49 4.23 2h6bB1 SER 237 HB2 -0.76 -0.11 0.05 -0.04 3.95 3.08 2h6bB1 SER 237 HB3 -1.73 -0.07 -0.02 -0.04 3.93 2.06 2h6bB1 SER 238 H -0.08 0.49 -0.42 -0.55 8.46 7.91 2h6bB1 SER 238 HA -0.04 0.04 0.38 -0.75 4.49 4.12 2h6bB1 SER 238 HB2 -0.02 -0.09 0.09 -0.04 3.95 3.90 2h6bB1 SER 238 HB3 -0.03 -0.03 0.10 -0.04 3.93 3.93 2h6bB1 SER 239 H -0.02 0.34 -0.27 -0.55 8.46 7.97 2h6bB1 SER 239 HA 0.01 0.09 0.51 -0.75 4.49 4.34 2h6bB1 SER 239 HB2 0.01 -0.16 0.08 -0.04 3.95 3.83 2h6bB1 SER 239 HB3 0.00 0.01 -0.02 -0.04 3.93 3.88 2h6bB1 VAL 240 H 0.02 0.08 0.10 -0.55 8.24 7.89 2h6bB1 VAL 240 HA 0.05 0.10 0.36 -0.75 4.13 3.90 2h6bB1 VAL 240 HB 0.02 -0.05 0.10 -0.04 2.12 2.15 2h6bB1 VAL 240 HG13 0.03 -0.01 -0.06 -0.04 0.97 0.89 2h6bB1 VAL 240 HG23 0.03 0.01 0.04 -0.04 0.95 0.98 2h6bB1 ASP 241 H 0.02 0.01 -0.17 -0.55 8.40 7.72 2h6bB1 ASP 241 HA 0.01 0.16 0.78 -0.75 4.63 4.84 2h6bB1 ASP 241 HB2 0.01 0.11 0.06 -0.04 2.71 2.85 2h6bB1 ASP 241 HB3 0.01 -0.01 0.02 -0.04 2.70 2.68 2h6bB1 LYS 242 H 0.01 0.06 0.11 -0.55 8.42 8.05 2h6bB1 LYS 242 HA 0.01 0.09 0.48 -0.75 4.32 4.15 2h6bB1 LYS 242 HB2 0.00 0.01 0.04 -0.04 1.87 1.88 2h6bB1 LYS 242 HB3 0.00 -0.00 0.08 -0.04 1.79 1.83 2h6bB1 LYS 242 HG2 0.00 0.04 0.05 -0.04 1.46 1.51 2h6bB1 LYS 242 HG3 0.00 -0.03 0.10 -0.04 1.46 1.50 2h6bB1 LYS 242 HD2 -0.00 -0.01 0.02 -0.04 1.69 1.66 2h6bB1 LYS 242 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 2h6bB1 LYS 242 HE2 -0.01 0.00 0.01 -0.04 2.99 2.95 2h6bB1 LYS 242 HE3 -0.01 0.02 0.02 -0.04 2.99 2.97 2h6bB1 LEU 243 H 0.00 0.09 0.06 -0.55 8.37 7.97 2h6bB1 LEU 243 HA 0.00 0.12 0.14 -0.75 4.35 3.86 2h6bB1 LEU 243 HB2 0.00 -0.02 0.09 -0.04 1.64 1.68 2h6bB1 LEU 243 HB3 0.00 0.00 0.02 -0.04 1.64 1.62 2h6bB1 LEU 243 HG -0.00 0.03 0.02 -0.04 1.64 1.65 2h6bB1 LEU 243 HD13 0.00 -0.00 0.01 -0.04 0.93 0.89 2h6bB1 LEU 243 HD23 0.00 0.01 0.01 -0.04 0.89 0.87