============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 1 1.000 -2.652 -12.370 28.663 -99.200 -91.000 HIS 6 0.900 12.535 -7.654 36.638 -99.200 -91.000 PHE 31 1.000 0.558 15.351 44.458 -99.200 -91.000 HIS 38 0.900 2.235 5.752 42.192 -99.200 -91.000 TYR 41 0.840 -0.910 0.673 40.195 -99.200 -91.000 PHE 67 1.000 -1.987 9.148 34.697 -99.200 -91.000 PHE 124 1.000 0.326 -9.589 23.700 -99.200 -91.000 PHE 129 1.000 0.545 -6.629 20.355 -99.200 -91.000 PHE 130 1.000 -8.647 -7.239 19.289 -99.200 -91.000 PHE 149 1.000 5.477 -5.237 19.904 -99.200 -91.000 TYR 152 0.840 2.396 -11.878 19.569 -99.200 -91.000 HIS 164 0.900 -5.078 6.505 26.546 -99.200 -91.000 PHE 168 1.000 -13.683 1.476 24.959 -99.200 -91.000 HIS 198 0.900 -9.229 -17.163 20.698 -99.200 -91.000 TYR 200 0.840 -9.783 -12.718 22.286 -99.200 -91.000 TYR 215 0.840 -4.611 -12.811 34.154 -99.200 -91.000 HIS 223 0.900 -5.305 -17.825 35.938 -99.200 -91.000 HIS 227 0.900 -12.070 -5.873 42.281 -99.200 -91.000 TYR 233 0.840 -16.439 3.590 38.916 -99.200 -91.000 TYR 240 0.840 -13.833 -6.317 37.915 -99.200 -91.000 HIS 246 0.900 -9.777 -14.129 37.439 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ci5A1 PHE 9 HA 0.04 -0.08 0.26 -0.75 4.62 4.08 2ci5A1 PHE 9 HB2 -0.03 0.02 0.10 -0.04 3.15 3.20 2ci5A1 PHE 9 HB3 0.02 -0.04 0.05 -0.04 3.06 3.05 2ci5A1 PHE 9 HD2 -0.06 -0.08 -0.10 -0.04 7.28 7.00 2ci5A1 PHE 9 HE2 -0.16 -0.02 -0.24 -0.04 7.38 6.91 2ci5A1 PHE 9 HZ -0.04 -0.01 -0.00 -0.04 7.32 7.22 2ci5A1 GLY 10 H -0.67 0.12 0.08 -0.55 8.43 7.42 2ci5A1 GLY 10 HA2 -0.57 0.07 0.31 -0.51 4.01 3.31 2ci5A1 GLY 10 HA3 -0.44 0.09 0.45 -0.51 4.01 3.60 2ci5A1 ARG 11 H -0.12 0.08 -0.34 -0.55 8.46 7.53 2ci5A1 ARG 11 HA -0.12 0.29 0.73 -0.75 4.34 4.48 2ci5A1 ARG 11 HB2 -0.02 -0.05 0.05 -0.04 1.90 1.84 2ci5A1 ARG 11 HB3 -0.03 -0.02 0.02 -0.04 1.80 1.73 2ci5A1 ARG 11 HG2 -0.04 0.19 0.06 -0.04 1.67 1.83 2ci5A1 ARG 11 HG3 -0.02 0.06 -0.05 -0.04 1.67 1.62 2ci5A1 ARG 11 HD2 0.02 -0.01 -0.01 -0.04 3.22 3.17 2ci5A1 ARG 11 HD3 0.00 -0.02 0.00 -0.04 3.22 3.16 2ci5A1 ALA 12 H -0.07 0.39 0.27 -0.55 8.40 8.44 2ci5A1 ALA 12 HA -0.02 0.02 0.51 -0.75 4.34 4.09 2ci5A1 ALA 12 HB3 -0.07 0.04 -0.12 -0.04 1.41 1.22 2ci5A1 THR 13 H 0.05 0.52 0.56 -0.55 8.28 8.86 2ci5A1 THR 13 HA -0.04 0.29 1.03 -0.75 4.39 4.91 2ci5A1 THR 13 HB 0.04 0.05 0.13 -0.04 4.32 4.50 2ci5A1 THR 13 HG23 0.03 0.01 -0.07 -0.04 1.22 1.14 2ci5A1 HIS 14 H 0.14 0.43 0.44 -0.55 8.41 8.87 2ci5A1 HIS 14 HA -0.02 0.23 1.07 -0.75 4.63 5.14 2ci5A1 HIS 14 HB2 -0.01 -0.07 0.02 -0.04 3.26 3.16 2ci5A1 HIS 14 HB3 -0.01 0.05 0.05 -0.04 3.20 3.25 2ci5A1 HIS 14 HD2 -0.01 0.01 -0.05 -0.04 6.97 6.89 2ci5A1 HIS 14 HE1 -0.01 -0.03 -0.03 -0.04 7.75 7.64 2ci5A1 VAL 15 H 0.06 0.66 0.29 -0.55 8.24 8.70 2ci5A1 VAL 15 HA 0.03 0.24 0.89 -0.75 4.13 4.54 2ci5A1 VAL 15 HB -0.03 0.03 -0.27 -0.04 2.12 1.82 2ci5A1 VAL 15 HG13 -0.04 -0.02 -0.25 -0.04 0.97 0.62 2ci5A1 VAL 15 HG23 -0.00 0.01 -0.21 -0.04 0.95 0.71 2ci5A1 VAL 16 H 0.04 0.62 0.33 -0.55 8.24 8.68 2ci5A1 VAL 16 HA 0.04 0.23 1.12 -0.75 4.13 4.77 2ci5A1 VAL 16 HB 0.04 -0.05 0.13 -0.04 2.12 2.20 2ci5A1 VAL 16 HG13 0.04 -0.00 -0.09 -0.04 0.97 0.88 2ci5A1 VAL 16 HG23 0.03 0.00 -0.11 -0.04 0.95 0.83 2ci5A1 VAL 17 H 0.05 0.68 0.44 -0.55 8.24 8.87 2ci5A1 VAL 17 HA 0.11 0.23 0.84 -0.75 4.13 4.55 2ci5A1 VAL 17 HB 0.18 0.01 0.14 -0.04 2.12 2.41 2ci5A1 VAL 17 HG13 0.11 0.03 -0.20 -0.04 0.97 0.86 2ci5A1 VAL 17 HG23 0.07 -0.01 -0.17 -0.04 0.95 0.79 2ci5A1 ARG 18 H 0.11 0.35 0.24 -0.55 8.46 8.60 2ci5A1 ARG 18 HA 0.03 0.18 0.85 -0.75 4.34 4.66 2ci5A1 ARG 18 HB2 0.01 -0.03 -0.21 -0.04 1.90 1.63 2ci5A1 ARG 18 HB3 -0.03 0.08 -0.03 -0.04 1.80 1.78 2ci5A1 ARG 18 HG2 -0.04 -0.00 -0.39 -0.04 1.67 1.20 2ci5A1 ARG 18 HG3 -0.00 0.03 -0.34 -0.04 1.67 1.32 2ci5A1 ARG 18 HD2 0.01 -0.06 -0.10 -0.04 3.22 3.03 2ci5A1 ARG 18 HD3 -0.01 0.10 -0.08 -0.04 3.22 3.19 2ci5A1 ALA 19 H -0.01 0.55 0.08 -0.55 8.40 8.48 2ci5A1 ALA 19 HA -0.21 0.04 0.43 -0.75 4.34 3.85 2ci5A1 ALA 19 HB3 -0.02 -0.03 0.05 -0.04 1.41 1.38 2ci5A1 LEU 20 H -0.28 0.09 0.13 -0.55 8.37 7.76 2ci5A1 LEU 20 HA -0.15 0.14 0.52 -0.75 4.35 4.11 2ci5A1 LEU 20 HB2 -0.17 -0.06 0.08 -0.04 1.64 1.44 2ci5A1 LEU 20 HB3 0.13 0.06 -0.07 -0.04 1.64 1.72 2ci5A1 LEU 20 HG -0.29 0.04 -0.01 -0.04 1.64 1.34 2ci5A1 LEU 20 HD13 -0.64 0.01 0.03 -0.04 0.93 0.29 2ci5A1 LEU 20 HD23 -0.26 -0.01 -0.16 -0.04 0.89 0.42 2ci5A1 PRO 21 HA 0.02 0.11 0.56 -0.51 4.44 4.61 2ci5A1 PRO 21 HB2 -0.04 -0.10 -0.09 -0.04 2.28 2.02 2ci5A1 PRO 21 HB3 -0.02 0.00 -0.23 -0.04 2.02 1.73 2ci5A1 PRO 21 HG2 -0.02 -0.14 0.07 -0.04 2.03 1.89 2ci5A1 PRO 21 HG3 -0.03 0.26 -0.04 -0.04 2.03 2.18 2ci5A1 PRO 21 HD2 -0.05 0.10 0.23 -0.04 3.68 3.92 2ci5A1 PRO 21 HD3 -0.06 0.30 0.15 -0.04 3.65 3.99 2ci5A1 GLU 22 H -0.12 0.19 0.12 -0.55 8.60 8.25 2ci5A1 GLU 22 HA -1.43 0.08 0.39 -0.75 4.29 2.57 2ci5A1 GLU 22 HB2 -0.21 0.00 0.10 -0.04 2.09 1.94 2ci5A1 GLU 22 HB3 -0.38 0.03 0.05 -0.04 1.99 1.65 2ci5A1 GLU 22 HG2 -0.31 0.00 0.03 -0.04 2.34 2.03 2ci5A1 GLU 22 HG3 -0.09 0.01 0.07 -0.04 2.34 2.28 2ci5A1 SER 23 H -0.14 0.05 -0.31 -0.55 8.46 7.51 2ci5A1 SER 23 HA -0.12 0.07 0.36 -0.75 4.49 4.05 2ci5A1 SER 23 HB2 -0.04 0.04 0.07 -0.04 3.95 3.97 2ci5A1 SER 23 HB3 -0.07 -0.01 0.09 -0.04 3.93 3.91 2ci5A1 LEU 24 H -0.08 0.48 -0.50 -0.55 8.37 7.72 2ci5A1 LEU 24 HA 0.02 0.05 0.42 -0.75 4.35 4.08 2ci5A1 LEU 24 HB2 0.03 0.10 0.22 -0.04 1.64 1.94 2ci5A1 LEU 24 HB3 0.16 0.01 0.10 -0.04 1.64 1.87 2ci5A1 LEU 24 HG 0.10 0.01 0.06 -0.04 1.64 1.76 2ci5A1 LEU 24 HD13 -0.09 -0.01 0.04 -0.04 0.93 0.83 2ci5A1 LEU 24 HD23 0.15 -0.01 -0.35 -0.04 0.89 0.63 2ci5A1 ALA 25 H -0.09 0.26 -0.17 -0.55 8.40 7.85 2ci5A1 ALA 25 HA 0.10 -0.01 0.28 -0.75 4.34 3.95 2ci5A1 ALA 25 HB3 -0.00 -0.01 0.09 -0.04 1.41 1.45 2ci5A1 GLN 26 H -0.04 0.08 -0.14 -0.55 8.47 7.82 2ci5A1 GLN 26 HA 0.01 0.24 0.96 -0.75 4.36 4.81 2ci5A1 GLN 26 HB2 -0.03 -0.03 0.06 -0.04 2.15 2.11 2ci5A1 GLN 26 HB3 -0.01 0.03 0.05 -0.04 2.02 2.04 2ci5A1 GLN 26 HG2 -0.00 0.05 0.01 -0.04 2.40 2.41 2ci5A1 GLN 26 HG3 -0.02 -0.10 -0.13 -0.04 2.39 2.10 2ci5A1 GLN 26 HE21 -0.02 -0.01 -0.00 -0.04 6.97 6.90 2ci5A1 GLN 26 HE22 -0.01 0.01 -0.00 -0.04 7.69 7.64 2ci5A1 GLN 27 H -0.01 0.41 0.02 -0.55 8.47 8.33 2ci5A1 GLN 27 HA 0.00 0.24 0.96 -0.75 4.36 4.81 2ci5A1 GLN 27 HB2 -0.01 0.10 0.06 -0.04 2.15 2.26 2ci5A1 GLN 27 HB3 -0.00 -0.06 0.10 -0.04 2.02 2.03 2ci5A1 GLN 27 HG2 -0.01 0.05 -0.10 -0.04 2.40 2.29 2ci5A1 GLN 27 HG3 -0.03 -0.11 -0.07 -0.04 2.39 2.14 2ci5A1 GLN 27 HE21 -0.03 -0.02 0.00 -0.04 6.97 6.87 2ci5A1 GLN 27 HE22 -0.04 -0.04 0.01 -0.04 7.69 7.57 2ci5A1 ALA 28 H 0.03 0.37 -0.03 -0.55 8.40 8.22 2ci5A1 ALA 28 HA 0.06 -0.11 0.42 -0.75 4.34 3.95 2ci5A1 ALA 28 HB3 0.12 0.01 0.06 -0.04 1.41 1.56 2ci5A1 LEU 29 H 0.06 -0.03 0.11 -0.55 8.37 7.97 2ci5A1 LEU 29 HA 0.02 0.10 0.43 -0.75 4.35 4.14 2ci5A1 LEU 29 HB2 0.02 -0.03 0.05 -0.04 1.64 1.64 2ci5A1 LEU 29 HB3 0.00 -0.01 0.00 -0.04 1.64 1.60 2ci5A1 LEU 29 HG 0.04 -0.01 0.06 -0.04 1.64 1.68 2ci5A1 LEU 29 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 2ci5A1 LEU 29 HD23 0.01 0.02 -0.01 -0.04 0.89 0.88 2ci5A1 ARG 30 H 0.00 0.24 0.14 -0.55 8.46 8.28 2ci5A1 ARG 30 HA -0.02 0.02 0.44 -0.75 4.34 4.02 2ci5A1 ARG 30 HB2 0.00 0.04 0.19 -0.04 1.90 2.08 2ci5A1 ARG 30 HB3 0.02 0.14 -0.19 -0.04 1.80 1.73 2ci5A1 ARG 30 HG2 0.01 -0.09 -0.00 -0.04 1.67 1.54 2ci5A1 ARG 30 HG3 0.01 0.15 -0.13 -0.04 1.67 1.66 2ci5A1 ARG 30 HD2 0.02 -0.08 0.00 -0.04 3.22 3.12 2ci5A1 ARG 30 HD3 0.02 0.08 0.01 -0.04 3.22 3.29 2ci5A1 ARG 31 H -0.03 0.12 0.07 -0.55 8.46 8.07 2ci5A1 ARG 31 HA -0.01 0.12 0.51 -0.75 4.34 4.21 2ci5A1 ARG 31 HB2 -0.02 -0.01 0.05 -0.04 1.90 1.87 2ci5A1 ARG 31 HB3 -0.01 0.01 0.00 -0.04 1.80 1.75 2ci5A1 ARG 31 HG2 -0.03 0.04 -0.05 -0.04 1.67 1.59 2ci5A1 ARG 31 HG3 -0.05 -0.01 -0.04 -0.04 1.67 1.53 2ci5A1 ARG 31 HD2 -0.07 -0.03 -0.13 -0.04 3.22 2.95 2ci5A1 ARG 31 HD3 -0.04 -0.02 -0.06 -0.04 3.22 3.06 2ci5A1 THR 32 H -0.00 0.16 -0.03 -0.55 8.28 7.86 2ci5A1 THR 32 HA 0.00 0.21 0.93 -0.75 4.39 4.78 2ci5A1 THR 32 HB 0.01 -0.02 0.05 -0.04 4.32 4.32 2ci5A1 THR 32 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.03 2ci5A1 LYS 33 H 0.01 0.14 0.03 -0.55 8.42 8.04 2ci5A1 LYS 33 HA 0.01 0.29 0.91 -0.75 4.32 4.77 2ci5A1 LYS 33 HB2 0.01 -0.05 0.19 -0.04 1.87 1.97 2ci5A1 LYS 33 HB3 0.01 0.04 0.15 -0.04 1.79 1.95 2ci5A1 LYS 33 HG2 0.01 0.13 -0.18 -0.04 1.46 1.38 2ci5A1 LYS 33 HG3 0.00 -0.07 -0.29 -0.04 1.46 1.07 2ci5A1 LYS 33 HD2 0.00 -0.05 0.00 -0.04 1.69 1.61 2ci5A1 LYS 33 HD3 0.00 0.01 0.00 -0.04 1.68 1.65 2ci5A1 LYS 33 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.89 2ci5A1 LYS 33 HE3 0.00 -0.03 -0.01 -0.04 2.99 2.90 2ci5A1 GLY 34 H 0.01 0.16 -0.25 -0.55 8.43 7.80 2ci5A1 GLY 34 HA2 0.01 0.13 0.62 -0.51 4.01 4.26 2ci5A1 GLY 34 HA3 0.01 -0.08 0.35 -0.51 4.01 3.79 2ci5A1 ASP 35 H 0.01 0.03 0.11 -0.55 8.40 8.01 2ci5A1 ASP 35 HA 0.01 -0.00 0.38 -0.75 4.63 4.26 2ci5A1 ASP 35 HB2 0.01 -0.04 0.07 -0.04 2.71 2.72 2ci5A1 ASP 35 HB3 0.01 0.09 0.02 -0.04 2.70 2.78 2ci5A1 GLU 36 H 0.01 0.02 0.18 -0.55 8.60 8.26 2ci5A1 GLU 36 HA 0.02 0.20 0.59 -0.75 4.29 4.35 2ci5A1 GLU 36 HB2 0.02 -0.08 0.09 -0.04 2.09 2.07 2ci5A1 GLU 36 HB3 0.02 0.03 0.09 -0.04 1.99 2.09 2ci5A1 GLU 36 HG2 0.01 0.11 0.02 -0.04 2.34 2.44 2ci5A1 GLU 36 HG3 0.01 -0.01 0.05 -0.04 2.34 2.35 2ci5A1 VAL 37 H 0.04 0.25 0.16 -0.55 8.24 8.14 2ci5A1 VAL 37 HA 0.04 0.05 0.46 -0.75 4.13 3.93 2ci5A1 VAL 37 HB 0.08 0.02 0.14 -0.04 2.12 2.32 2ci5A1 VAL 37 HG13 0.11 -0.07 -0.33 -0.04 0.97 0.64 2ci5A1 VAL 37 HG23 0.07 0.06 0.02 -0.04 0.95 1.06 2ci5A1 ASP 38 H 0.04 0.17 0.11 -0.55 8.40 8.17 2ci5A1 ASP 38 HA 0.06 0.18 0.73 -0.75 4.63 4.84 2ci5A1 ASP 38 HB2 0.02 0.17 0.08 -0.04 2.71 2.94 2ci5A1 ASP 38 HB3 0.01 -0.05 0.22 -0.04 2.70 2.85 2ci5A1 PHE 39 H 0.19 0.34 0.02 -0.55 8.34 8.34 2ci5A1 PHE 39 HA -0.01 0.07 0.30 -0.75 4.62 4.22 2ci5A1 PHE 39 HB2 -0.01 0.09 0.10 -0.04 3.15 3.29 2ci5A1 PHE 39 HB3 -0.01 0.01 0.09 -0.04 3.06 3.11 2ci5A1 PHE 39 HD2 -0.02 -0.00 -0.07 -0.04 7.28 7.14 2ci5A1 PHE 39 HE2 -0.05 0.07 -0.14 -0.04 7.38 7.22 2ci5A1 PHE 39 HZ -0.06 0.15 -0.48 -0.04 7.32 6.89 2ci5A1 ALA 40 H 0.08 0.14 -0.11 -0.55 8.40 7.97 2ci5A1 ALA 40 HA -0.09 0.12 0.41 -0.75 4.34 4.02 2ci5A1 ALA 40 HB3 0.01 0.03 0.05 -0.04 1.41 1.47 2ci5A1 ARG 41 H -0.03 0.10 -0.27 -0.55 8.46 7.72 2ci5A1 ARG 41 HA -0.04 0.09 0.45 -0.75 4.34 4.09 2ci5A1 ARG 41 HB2 -0.01 0.01 0.09 -0.04 1.90 1.95 2ci5A1 ARG 41 HB3 -0.02 0.10 0.11 -0.04 1.80 1.95 2ci5A1 ARG 41 HG2 -0.02 -0.08 -0.11 -0.04 1.67 1.42 2ci5A1 ARG 41 HG3 -0.02 0.03 0.05 -0.04 1.67 1.69 2ci5A1 ARG 41 HD2 -0.01 0.05 0.01 -0.04 3.22 3.23 2ci5A1 ARG 41 HD3 -0.01 -0.01 -0.00 -0.04 3.22 3.16 2ci5A1 ALA 42 H -0.10 0.50 -0.12 -0.55 8.40 8.14 2ci5A1 ALA 42 HA -0.07 -0.08 0.40 -0.75 4.34 3.84 2ci5A1 ALA 42 HB3 -0.16 0.04 0.01 -0.04 1.41 1.26 2ci5A1 GLU 43 H -0.36 0.57 -0.17 -0.55 8.60 8.09 2ci5A1 GLU 43 HA -0.22 0.02 0.46 -0.75 4.29 3.80 2ci5A1 GLU 43 HB2 -0.25 0.12 0.18 -0.04 2.09 2.11 2ci5A1 GLU 43 HB3 -0.15 -0.00 0.00 -0.04 1.99 1.80 2ci5A1 GLU 43 HG2 -0.39 -0.04 0.03 -0.04 2.34 1.91 2ci5A1 GLU 43 HG3 -1.13 0.06 0.02 -0.04 2.34 1.24 2ci5A1 ARG 44 H -0.09 0.43 -0.13 -0.55 8.46 8.12 2ci5A1 ARG 44 HA -0.03 0.04 0.42 -0.75 4.34 4.02 2ci5A1 ARG 44 HB2 -0.03 0.07 0.16 -0.04 1.90 2.06 2ci5A1 ARG 44 HB3 -0.02 -0.02 0.03 -0.04 1.80 1.75 2ci5A1 ARG 44 HG2 -0.03 -0.02 0.05 -0.04 1.67 1.63 2ci5A1 ARG 44 HG3 -0.04 0.24 0.09 -0.04 1.67 1.92 2ci5A1 ARG 44 HD2 -0.02 0.01 0.00 -0.04 3.22 3.18 2ci5A1 ARG 44 HD3 -0.02 -0.00 -0.02 -0.04 3.22 3.14 2ci5A1 GLN 45 H -0.04 0.54 -0.17 -0.55 8.47 8.25 2ci5A1 GLN 45 HA 0.00 0.01 0.45 -0.75 4.36 4.06 2ci5A1 GLN 45 HB2 -0.02 0.07 0.13 -0.04 2.15 2.29 2ci5A1 GLN 45 HB3 -0.00 0.12 -0.03 -0.04 2.02 2.07 2ci5A1 GLN 45 HG2 -0.01 -0.03 -0.03 -0.04 2.40 2.30 2ci5A1 GLN 45 HG3 -0.02 0.28 0.06 -0.04 2.39 2.66 2ci5A1 GLN 45 HE21 -0.01 -0.14 -0.01 -0.04 6.97 6.77 2ci5A1 GLN 45 HE22 -0.01 0.12 -0.04 -0.04 7.69 7.72 2ci5A1 HIS 46 H 0.04 0.49 -0.15 -0.55 8.41 8.24 2ci5A1 HIS 46 HA -0.07 0.04 0.45 -0.75 4.63 4.29 2ci5A1 HIS 46 HB2 -0.13 -0.00 0.13 -0.04 3.26 3.21 2ci5A1 HIS 46 HB3 -0.10 0.10 0.18 -0.04 3.20 3.33 2ci5A1 HIS 46 HD2 -0.03 -0.01 -0.13 -0.04 6.97 6.75 2ci5A1 HIS 46 HE1 -0.05 0.10 0.08 -0.04 7.75 7.84 2ci5A1 GLN 47 H 0.04 0.50 -0.18 -0.55 8.47 8.28 2ci5A1 GLN 47 HA -0.01 0.02 0.36 -0.75 4.36 3.97 2ci5A1 GLN 47 HB2 -0.00 0.10 0.11 -0.04 2.15 2.33 2ci5A1 GLN 47 HB3 -0.00 -0.04 0.01 -0.04 2.02 1.95 2ci5A1 GLN 47 HG2 0.02 -0.05 0.02 -0.04 2.40 2.34 2ci5A1 GLN 47 HG3 0.01 0.38 0.09 -0.04 2.39 2.83 2ci5A1 GLN 47 HE21 -0.02 -0.03 -0.04 -0.04 6.97 6.84 2ci5A1 GLN 47 HE22 -0.03 -0.04 -0.24 -0.04 7.69 7.34 2ci5A1 LEU 48 H 0.00 0.45 -0.15 -0.55 8.37 8.12 2ci5A1 LEU 48 HA -0.01 0.03 0.45 -0.75 4.35 4.06 2ci5A1 LEU 48 HB2 -0.00 0.00 0.14 -0.04 1.64 1.74 2ci5A1 LEU 48 HB3 0.02 0.12 0.18 -0.04 1.64 1.92 2ci5A1 LEU 48 HG -0.01 -0.06 0.04 -0.04 1.64 1.58 2ci5A1 LEU 48 HD13 -0.00 0.01 -0.24 -0.04 0.93 0.66 2ci5A1 LEU 48 HD23 -0.02 -0.01 0.04 -0.04 0.89 0.87 2ci5A1 TYR 49 H 0.09 0.46 -0.12 -0.55 8.29 8.18 2ci5A1 TYR 49 HA -0.07 0.01 0.38 -0.75 4.56 4.12 2ci5A1 TYR 49 HB2 -0.06 0.05 0.12 -0.04 3.06 3.13 2ci5A1 TYR 49 HB3 -0.19 0.15 0.20 -0.04 2.98 3.11 2ci5A1 TYR 49 HD2 -0.13 -0.01 -0.11 -0.04 7.15 6.86 2ci5A1 TYR 49 HE2 -0.01 0.08 -0.13 -0.04 6.85 6.75 2ci5A1 VAL 50 H -0.04 0.61 -0.10 -0.55 8.24 8.16 2ci5A1 VAL 50 HA -0.11 0.03 0.35 -0.75 4.13 3.64 2ci5A1 VAL 50 HB -0.10 0.06 0.10 -0.04 2.12 2.13 2ci5A1 VAL 50 HG13 -0.04 -0.02 -0.12 -0.04 0.97 0.74 2ci5A1 VAL 50 HG23 -0.30 0.03 -0.01 -0.04 0.95 0.63 2ci5A1 GLY 51 H -0.05 0.59 -0.24 -0.55 8.43 8.18 2ci5A1 GLY 51 HA2 -0.05 -0.03 0.40 -0.51 4.01 3.82 2ci5A1 GLY 51 HA3 -0.04 0.06 0.33 -0.51 4.01 3.84 2ci5A1 VAL 52 H -0.08 0.66 -0.12 -0.55 8.24 8.15 2ci5A1 VAL 52 HA -0.07 -0.06 0.46 -0.75 4.13 3.71 2ci5A1 VAL 52 HB -0.14 0.13 0.13 -0.04 2.12 2.20 2ci5A1 VAL 52 HG13 -0.10 -0.01 -0.18 -0.04 0.97 0.64 2ci5A1 VAL 52 HG23 -0.06 0.02 -0.00 -0.04 0.95 0.87 2ci5A1 LEU 53 H -0.19 0.46 -0.18 -0.55 8.37 7.92 2ci5A1 LEU 53 HA -0.14 0.03 0.24 -0.75 4.35 3.72 2ci5A1 LEU 53 HB2 -0.17 0.06 0.03 -0.04 1.64 1.52 2ci5A1 LEU 53 HB3 -0.15 -0.03 -0.15 -0.04 1.64 1.27 2ci5A1 LEU 53 HG -0.44 0.14 0.00 -0.04 1.64 1.30 2ci5A1 LEU 53 HD13 -0.43 -0.03 -0.17 -0.04 0.93 0.26 2ci5A1 LEU 53 HD23 -0.24 -0.01 -0.14 -0.04 0.89 0.46 2ci5A1 GLY 54 H -0.09 0.51 -0.17 -0.55 8.43 8.13 2ci5A1 GLY 54 HA2 -0.07 0.30 0.49 -0.51 4.01 4.22 2ci5A1 GLY 54 HA3 -0.06 -0.03 0.27 -0.51 4.01 3.68 2ci5A1 SER 55 H -0.06 0.45 0.08 -0.55 8.46 8.39 2ci5A1 SER 55 HA -0.04 0.13 0.63 -0.75 4.49 4.46 2ci5A1 SER 55 HB2 -0.04 0.10 0.21 -0.04 3.95 4.18 2ci5A1 SER 55 HB3 -0.03 -0.03 0.02 -0.04 3.93 3.84 2ci5A1 LYS 56 H -0.05 0.23 0.13 -0.55 8.42 8.18 2ci5A1 LYS 56 HA -0.04 0.02 0.36 -0.75 4.32 3.91 2ci5A1 LYS 56 HB2 -0.04 -0.10 0.13 -0.04 1.87 1.81 2ci5A1 LYS 56 HB3 -0.06 0.14 0.16 -0.04 1.79 1.99 2ci5A1 LYS 56 HG2 -0.04 0.07 -0.21 -0.04 1.46 1.24 2ci5A1 LYS 56 HG3 -0.03 -0.04 0.02 -0.04 1.46 1.37 2ci5A1 LYS 56 HD2 -0.04 -0.06 -0.03 -0.04 1.69 1.52 2ci5A1 LYS 56 HD3 -0.04 0.02 -0.11 -0.04 1.68 1.51 2ci5A1 LYS 56 HE2 -0.02 0.00 -0.06 -0.04 2.99 2.88 2ci5A1 LYS 56 HE3 -0.01 0.03 -0.07 -0.04 2.99 2.90 2ci5A1 LEU 57 H -0.07 0.48 -0.20 -0.55 8.37 8.03 2ci5A1 LEU 57 HA -0.05 0.15 0.64 -0.75 4.35 4.33 2ci5A1 LEU 57 HB2 -0.09 0.12 0.02 -0.04 1.64 1.65 2ci5A1 LEU 57 HB3 -0.08 -0.05 0.04 -0.04 1.64 1.50 2ci5A1 LEU 57 HG -0.08 0.07 -0.17 -0.04 1.64 1.42 2ci5A1 LEU 57 HD13 -0.11 -0.03 -0.18 -0.04 0.93 0.57 2ci5A1 LEU 57 HD23 -0.05 0.01 -0.25 -0.04 0.89 0.55 2ci5A1 GLY 58 H -0.06 0.12 -0.69 -0.55 8.43 7.25 2ci5A1 GLY 58 HA2 -0.06 0.14 0.32 -0.51 4.01 3.90 2ci5A1 GLY 58 HA3 -0.06 -0.05 0.29 -0.51 4.01 3.69 2ci5A1 LEU 59 H -0.08 0.41 -0.16 -0.55 8.37 7.99 2ci5A1 LEU 59 HA -0.12 0.16 0.46 -0.75 4.35 4.11 2ci5A1 LEU 59 HB2 -0.09 -0.05 -0.29 -0.04 1.64 1.17 2ci5A1 LEU 59 HB3 -0.08 -0.11 -0.36 -0.04 1.64 1.04 2ci5A1 LEU 59 HG -0.09 0.11 -0.18 -0.04 1.64 1.44 2ci5A1 LEU 59 HD13 -0.09 -0.05 -0.23 -0.04 0.93 0.52 2ci5A1 LEU 59 HD23 -0.08 -0.04 -0.35 -0.04 0.89 0.38 2ci5A1 GLN 60 H -0.27 0.64 0.40 -0.55 8.47 8.69 2ci5A1 GLN 60 HA -0.12 0.06 0.64 -0.75 4.36 4.19 2ci5A1 GLN 60 HB2 -0.36 0.05 0.17 -0.04 2.15 1.97 2ci5A1 GLN 60 HB3 -0.75 -0.05 0.27 -0.04 2.02 1.45 2ci5A1 GLN 60 HG2 -0.02 -0.03 -0.02 -0.04 2.40 2.28 2ci5A1 GLN 60 HG3 -0.00 0.00 -0.26 -0.04 2.39 2.09 2ci5A1 GLN 60 HE21 -0.01 -0.04 0.01 -0.04 6.97 6.89 2ci5A1 GLN 60 HE22 0.02 -0.02 -0.04 -0.04 7.69 7.61 2ci5A1 VAL 61 H -0.04 0.18 0.15 -0.55 8.24 7.97 2ci5A1 VAL 61 HA -0.01 0.23 0.77 -0.75 4.13 4.37 2ci5A1 VAL 61 HB -0.02 -0.05 0.07 -0.04 2.12 2.08 2ci5A1 VAL 61 HG13 -0.00 -0.02 -0.28 -0.04 0.97 0.62 2ci5A1 VAL 61 HG23 -0.05 0.06 -0.13 -0.04 0.95 0.79 2ci5A1 VAL 62 H 0.03 0.79 0.37 -0.55 8.24 8.89 2ci5A1 VAL 62 HA 0.03 0.11 0.79 -0.75 4.13 4.30 2ci5A1 VAL 62 HB 0.04 -0.03 0.21 -0.04 2.12 2.29 2ci5A1 VAL 62 HG13 0.03 -0.01 -0.11 -0.04 0.97 0.84 2ci5A1 VAL 62 HG23 0.07 0.03 -0.13 -0.04 0.95 0.88 2ci5A1 GLN 63 H 0.02 0.20 0.02 -0.55 8.47 8.18 2ci5A1 GLN 63 HA 0.05 0.17 0.78 -0.75 4.36 4.61 2ci5A1 GLN 63 HB2 0.03 -0.02 0.11 -0.04 2.15 2.23 2ci5A1 GLN 63 HB3 0.05 -0.02 -0.07 -0.04 2.02 1.94 2ci5A1 GLN 63 HG2 0.03 0.02 -0.22 -0.04 2.40 2.19 2ci5A1 GLN 63 HG3 0.02 0.05 -0.26 -0.04 2.39 2.16 2ci5A1 GLN 63 HE21 0.00 -0.02 -0.04 -0.04 6.97 6.87 2ci5A1 GLN 63 HE22 0.01 0.09 -0.04 -0.04 7.69 7.70 2ci5A1 LEU 64 H 0.04 0.76 0.36 -0.55 8.37 8.99 2ci5A1 LEU 64 HA 0.02 0.09 0.55 -0.75 4.35 4.26 2ci5A1 LEU 64 HB2 0.02 -0.05 0.13 -0.04 1.64 1.70 2ci5A1 LEU 64 HB3 0.01 0.02 0.04 -0.04 1.64 1.68 2ci5A1 LEU 64 HG 0.03 0.14 0.02 -0.04 1.64 1.79 2ci5A1 LEU 64 HD13 0.02 -0.02 -0.16 -0.04 0.93 0.73 2ci5A1 LEU 64 HD23 0.02 -0.02 -0.09 -0.04 0.89 0.76 2ci5A1 PRO 65 HA 0.01 0.00 0.55 -0.51 4.44 4.49 2ci5A1 PRO 65 HB2 0.00 0.08 0.02 -0.04 2.28 2.35 2ci5A1 PRO 65 HB3 0.01 0.03 0.10 -0.04 2.02 2.12 2ci5A1 PRO 65 HG2 0.00 0.01 0.02 -0.04 2.03 2.02 2ci5A1 PRO 65 HG3 0.01 0.03 0.06 -0.04 2.03 2.09 2ci5A1 PRO 65 HD2 0.01 0.06 0.22 -0.04 3.68 3.93 2ci5A1 PRO 65 HD3 0.01 0.19 0.23 -0.04 3.65 4.04 2ci5A1 ALA 66 H -0.00 0.05 0.09 -0.55 8.40 7.99 2ci5A1 ALA 66 HA -0.02 0.20 0.36 -0.75 4.34 4.12 2ci5A1 ALA 66 HB3 -0.01 -0.04 -0.29 -0.04 1.41 1.02 2ci5A1 ASP 67 H -0.02 0.29 0.03 -0.55 8.40 8.16 2ci5A1 ASP 67 HA -0.01 0.14 0.72 -0.75 4.63 4.74 2ci5A1 ASP 67 HB2 -0.00 0.16 -0.08 -0.04 2.71 2.75 2ci5A1 ASP 67 HB3 -0.01 0.02 0.13 -0.04 2.70 2.80 2ci5A1 GLU 68 H -0.02 0.25 0.03 -0.55 8.60 8.32 2ci5A1 GLU 68 HA -0.03 -0.04 0.32 -0.75 4.29 3.78 2ci5A1 GLU 68 HB2 -0.02 0.06 0.06 -0.04 2.09 2.15 2ci5A1 GLU 68 HB3 -0.04 0.04 0.03 -0.04 1.99 1.98 2ci5A1 GLU 68 HG2 -0.02 0.05 0.03 -0.04 2.34 2.36 2ci5A1 GLU 68 HG3 -0.03 0.09 0.03 -0.04 2.34 2.38 2ci5A1 SER 69 H -0.01 0.06 -0.41 -0.55 8.46 7.55 2ci5A1 SER 69 HA -0.01 0.14 0.51 -0.75 4.49 4.37 2ci5A1 SER 69 HB2 -0.00 0.05 0.11 -0.04 3.95 4.06 2ci5A1 SER 69 HB3 -0.01 -0.03 0.03 -0.04 3.93 3.88 2ci5A1 LEU 70 H -0.01 0.51 -0.51 -0.55 8.37 7.82 2ci5A1 LEU 70 HA 0.01 0.29 0.83 -0.75 4.35 4.72 2ci5A1 LEU 70 HB2 -0.00 0.01 0.20 -0.04 1.64 1.80 2ci5A1 LEU 70 HB3 0.01 -0.04 0.09 -0.04 1.64 1.66 2ci5A1 LEU 70 HG 0.00 -0.12 -0.30 -0.04 1.64 1.18 2ci5A1 LEU 70 HD13 0.01 0.00 -0.17 -0.04 0.93 0.73 2ci5A1 LEU 70 HD23 0.01 0.06 -0.07 -0.04 0.89 0.85 2ci5A1 PRO 71 HA -0.01 -0.05 0.23 -0.51 4.44 4.10 2ci5A1 PRO 71 HB2 0.03 0.06 -0.26 -0.04 2.28 2.08 2ci5A1 PRO 71 HB3 0.01 0.02 -0.41 -0.04 2.02 1.60 2ci5A1 PRO 71 HG2 0.00 0.14 -0.08 -0.04 2.03 2.05 2ci5A1 PRO 71 HG3 -0.01 0.04 -0.09 -0.04 2.03 1.92 2ci5A1 PRO 71 HD2 0.02 0.12 0.05 -0.04 3.68 3.83 2ci5A1 PRO 71 HD3 0.00 0.29 -0.53 -0.04 3.65 3.37 2ci5A1 ASP 72 H 0.04 0.15 -0.45 -0.55 8.40 7.59 2ci5A1 ASP 72 HA 0.09 0.21 0.88 -0.75 4.63 5.06 2ci5A1 ASP 72 HB2 0.12 0.02 -0.01 -0.04 2.71 2.80 2ci5A1 ASP 72 HB3 0.30 0.01 0.15 -0.04 2.70 3.12 2ci5A1 CYS 73 H -0.02 0.55 -0.19 -0.55 8.50 8.28 2ci5A1 CYS 73 HA 0.00 0.06 0.20 -0.75 4.58 4.09 2ci5A1 CYS 73 HB2 -0.02 0.02 0.06 -0.04 2.97 2.99 2ci5A1 CYS 73 HB3 -0.01 0.00 0.15 -0.04 2.97 3.07 2ci5A1 VAL 74 H -0.28 0.05 -0.47 -0.55 8.24 6.99 2ci5A1 VAL 74 HA -0.19 0.19 0.30 -0.75 4.13 3.67 2ci5A1 VAL 74 HB -0.37 -0.05 -0.11 -0.04 2.12 1.55 2ci5A1 VAL 74 HG13 -1.21 -0.02 -0.11 -0.04 0.97 -0.41 2ci5A1 VAL 74 HG23 -0.36 0.05 0.00 -0.04 0.95 0.60 2ci5A1 PHE 75 H -0.28 0.39 -0.29 -0.55 8.34 7.60 2ci5A1 PHE 75 HA 0.02 0.22 0.46 -0.75 4.62 4.57 2ci5A1 PHE 75 HB2 0.04 0.08 0.19 -0.04 3.15 3.42 2ci5A1 PHE 75 HB3 0.05 -0.11 0.13 -0.04 3.06 3.09 2ci5A1 PHE 75 HD2 0.01 0.03 -0.09 -0.04 7.28 7.19 2ci5A1 PHE 75 HE2 -0.00 0.01 -0.05 -0.04 7.38 7.30 2ci5A1 PHE 75 HZ 0.00 -0.01 -0.01 -0.04 7.32 7.27 2ci5A1 VAL 76 H 0.07 0.52 -0.01 -0.55 8.24 8.27 2ci5A1 VAL 76 HA 0.07 0.00 0.20 -0.75 4.13 3.65 2ci5A1 VAL 76 HB 0.05 -0.04 -0.14 -0.04 2.12 1.95 2ci5A1 VAL 76 HG13 0.03 0.02 -0.18 -0.04 0.97 0.81 2ci5A1 VAL 76 HG23 0.09 0.09 -0.23 -0.04 0.95 0.85 2ci5A1 GLU 77 H 0.12 0.50 -0.20 -0.55 8.60 8.48 2ci5A1 GLU 77 HA 0.05 0.15 0.41 -0.75 4.29 4.15 2ci5A1 GLU 77 HB2 0.08 0.39 0.18 -0.04 2.09 2.69 2ci5A1 GLU 77 HB3 0.07 -0.15 0.10 -0.04 1.99 1.97 2ci5A1 GLU 77 HG2 -0.03 -0.26 -0.54 -0.04 2.34 1.47 2ci5A1 GLU 77 HG3 0.02 0.09 0.00 -0.04 2.34 2.41 2ci5A1 ASP 78 H 0.08 0.41 -0.21 -0.55 8.40 8.13 2ci5A1 ASP 78 HA -0.04 -0.23 0.58 -0.75 4.63 4.18 2ci5A1 ASP 78 HB2 0.09 0.25 0.08 -0.04 2.71 3.09 2ci5A1 ASP 78 HB3 0.04 -0.12 0.17 -0.04 2.70 2.75 2ci5A1 VAL 79 H 0.05 0.52 -0.35 -0.55 8.24 7.91 2ci5A1 VAL 79 HA 0.03 0.13 0.81 -0.75 4.13 4.35 2ci5A1 VAL 79 HB 0.04 -0.07 -0.09 -0.04 2.12 1.96 2ci5A1 VAL 79 HG13 0.04 0.03 -0.03 -0.04 0.97 0.97 2ci5A1 VAL 79 HG23 0.02 0.02 -0.05 -0.04 0.95 0.90 2ci5A1 ALA 80 H 0.03 0.42 -0.08 -0.55 8.40 8.22 2ci5A1 ALA 80 HA 0.03 0.25 0.82 -0.75 4.34 4.69 2ci5A1 ALA 80 HB3 0.03 0.00 -0.17 -0.04 1.41 1.23 2ci5A1 VAL 81 H 0.06 0.60 0.27 -0.55 8.24 8.62 2ci5A1 VAL 81 HA 0.03 0.19 0.93 -0.75 4.13 4.52 2ci5A1 VAL 81 HB 0.13 -0.04 0.11 -0.04 2.12 2.28 2ci5A1 VAL 81 HG13 -0.03 0.01 -0.18 -0.04 0.97 0.72 2ci5A1 VAL 81 HG23 0.04 -0.00 -0.12 -0.04 0.95 0.82 2ci5A1 VAL 82 H -0.02 0.21 0.15 -0.55 8.24 8.04 2ci5A1 VAL 82 HA 0.04 0.27 1.08 -0.75 4.13 4.77 2ci5A1 VAL 82 HB -0.02 0.07 0.13 -0.04 2.12 2.26 2ci5A1 VAL 82 HG13 -0.01 -0.02 -0.22 -0.04 0.97 0.68 2ci5A1 VAL 82 HG23 0.02 -0.03 -0.25 -0.04 0.95 0.65 2ci5A1 CYS 83 H -0.01 0.81 0.21 -0.55 8.50 8.96 2ci5A1 CYS 83 HA -0.41 0.11 0.83 -0.75 4.58 4.36 2ci5A1 CYS 83 HB2 -1.07 -0.00 -0.17 -0.04 2.97 1.69 2ci5A1 CYS 83 HB3 -0.61 0.01 0.08 -0.04 2.97 2.41 2ci5A1 GLU 84 H -0.06 0.16 0.10 -0.55 8.60 8.25 2ci5A1 GLU 84 HA 0.04 0.08 0.39 -0.75 4.29 4.05 2ci5A1 GLU 84 HB2 0.10 0.12 -0.02 -0.04 2.09 2.24 2ci5A1 GLU 84 HB3 0.08 0.00 0.23 -0.04 1.99 2.26 2ci5A1 GLU 84 HG2 0.12 0.05 0.07 -0.04 2.34 2.54 2ci5A1 GLU 84 HG3 0.12 -0.06 -0.06 -0.04 2.34 2.29 2ci5A1 GLU 85 H 0.07 0.10 0.28 -0.55 8.60 8.50 2ci5A1 GLU 85 HA 0.02 0.25 0.86 -0.75 4.29 4.67 2ci5A1 GLU 85 HB2 0.04 -0.04 0.15 -0.04 2.09 2.21 2ci5A1 GLU 85 HB3 0.02 0.01 0.25 -0.04 1.99 2.23 2ci5A1 GLU 85 HG2 0.02 0.12 -0.00 -0.04 2.34 2.43 2ci5A1 GLU 85 HG3 0.04 -0.09 -0.06 -0.04 2.34 2.19 2ci5A1 THR 86 H 0.10 0.58 -0.04 -0.55 8.28 8.37 2ci5A1 THR 86 HA 0.05 0.26 1.18 -0.75 4.39 5.12 2ci5A1 THR 86 HB 0.28 0.03 0.12 -0.04 4.32 4.70 2ci5A1 THR 86 HG23 -0.02 0.01 -0.20 -0.04 1.22 0.97 2ci5A1 ALA 87 H 0.04 0.83 0.31 -0.55 8.40 9.04 2ci5A1 ALA 87 HA 0.13 0.26 1.08 -0.75 4.34 5.05 2ci5A1 ALA 87 HB3 0.03 -0.01 -0.14 -0.04 1.41 1.25 2ci5A1 LEU 88 H 0.16 0.74 0.30 -0.55 8.37 9.02 2ci5A1 LEU 88 HA -0.04 0.28 0.91 -0.75 4.35 4.74 2ci5A1 LEU 88 HB2 -0.16 0.02 -0.02 -0.04 1.64 1.44 2ci5A1 LEU 88 HB3 0.13 -0.02 0.16 -0.04 1.64 1.86 2ci5A1 LEU 88 HG -0.01 -0.06 -0.52 -0.04 1.64 1.01 2ci5A1 LEU 88 HD13 -0.09 0.04 -0.24 -0.04 0.93 0.60 2ci5A1 LEU 88 HD23 -0.03 -0.01 -0.16 -0.04 0.89 0.64 2ci5A1 ILE 89 H -0.02 0.70 0.33 -0.55 8.25 8.72 2ci5A1 ILE 89 HA 0.01 0.19 0.81 -0.75 4.18 4.44 2ci5A1 ILE 89 HB -0.01 -0.14 0.21 -0.04 1.89 1.91 2ci5A1 ILE 89 HG12 -0.00 0.04 -0.08 -0.04 1.49 1.41 2ci5A1 ILE 89 HG13 -0.00 -0.05 -0.03 -0.04 1.21 1.08 2ci5A1 ILE 89 HG23 0.01 0.05 0.03 -0.04 0.93 0.98 2ci5A1 ILE 89 HD13 0.01 0.00 -0.20 -0.04 0.88 0.66 2ci5A1 THR 90 H 0.01 0.43 0.05 -0.55 8.28 8.22 2ci5A1 THR 90 HA -0.00 0.02 0.38 -0.75 4.39 4.03 2ci5A1 THR 90 HB 0.01 -0.02 -0.01 -0.04 4.32 4.26 2ci5A1 THR 90 HG23 0.01 -0.02 -0.33 -0.04 1.22 0.85 2ci5A1 ARG 91 H 0.01 0.10 0.04 -0.55 8.46 8.05 2ci5A1 ARG 91 HA 0.01 0.16 0.79 -0.75 4.34 4.55 2ci5A1 ARG 91 HB2 -0.00 0.21 0.02 -0.04 1.90 2.09 2ci5A1 ARG 91 HB3 0.00 -0.11 0.15 -0.04 1.80 1.80 2ci5A1 ARG 91 HG2 0.01 0.00 -0.02 -0.04 1.67 1.63 2ci5A1 ARG 91 HG3 0.01 -0.05 0.05 -0.04 1.67 1.63 2ci5A1 ARG 91 HD2 -0.00 0.03 -0.14 -0.04 3.22 3.07 2ci5A1 ARG 91 HD3 0.00 0.25 -0.03 -0.04 3.22 3.39 2ci5A1 PRO 92 HA 0.04 0.03 0.35 -0.51 4.44 4.34 2ci5A1 PRO 92 HB2 0.04 0.03 -0.14 -0.04 2.28 2.17 2ci5A1 PRO 92 HB3 0.05 -0.09 -0.01 -0.04 2.02 1.93 2ci5A1 PRO 92 HG2 0.03 0.10 -0.14 -0.04 2.03 1.98 2ci5A1 PRO 92 HG3 0.03 0.12 -0.07 -0.04 2.03 2.07 2ci5A1 PRO 92 HD2 0.02 0.06 0.12 -0.04 3.68 3.84 2ci5A1 PRO 92 HD3 0.02 0.37 -0.22 -0.04 3.65 3.78 2ci5A1 GLY 93 H 0.05 0.02 0.07 -0.55 8.43 8.02 2ci5A1 GLY 93 HA2 0.03 0.14 0.44 -0.51 4.01 4.10 2ci5A1 GLY 93 HA3 0.04 -0.03 0.43 -0.51 4.01 3.94 2ci5A1 ALA 94 H 0.04 -0.02 -0.24 -0.55 8.40 7.63 2ci5A1 ALA 94 HA 0.02 0.24 0.68 -0.75 4.34 4.53 2ci5A1 ALA 94 HB3 0.03 -0.01 0.02 -0.04 1.41 1.41 2ci5A1 PRO 95 HA 0.02 0.14 0.42 -0.51 4.44 4.51 2ci5A1 PRO 95 HB2 0.01 -0.01 0.08 -0.04 2.28 2.32 2ci5A1 PRO 95 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 2ci5A1 PRO 95 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 2ci5A1 PRO 95 HG3 0.01 0.13 0.10 -0.04 2.03 2.23 2ci5A1 PRO 95 HD2 0.01 0.02 0.24 -0.04 3.68 3.91 2ci5A1 PRO 95 HD3 0.02 0.42 0.38 -0.04 3.65 4.43 2ci5A1 SER 96 H 0.02 0.14 -0.20 -0.55 8.46 7.87 2ci5A1 SER 96 HA 0.01 0.11 0.38 -0.75 4.49 4.25 2ci5A1 SER 96 HB2 0.02 0.06 0.13 -0.04 3.95 4.12 2ci5A1 SER 96 HB3 0.02 0.03 0.09 -0.04 3.93 4.02 2ci5A1 ARG 97 H 0.03 0.47 -0.67 -0.55 8.46 7.74 2ci5A1 ARG 97 HA 0.04 0.15 0.87 -0.75 4.34 4.64 2ci5A1 ARG 97 HB2 0.05 0.11 -0.01 -0.04 1.90 2.00 2ci5A1 ARG 97 HB3 0.06 0.00 0.02 -0.04 1.80 1.85 2ci5A1 ARG 97 HG2 0.06 -0.00 -0.22 -0.04 1.67 1.47 2ci5A1 ARG 97 HG3 0.05 -0.07 -0.19 -0.04 1.67 1.42 2ci5A1 ARG 97 HD2 0.10 -0.00 -0.04 -0.04 3.22 3.24 2ci5A1 ARG 97 HD3 0.08 -0.05 -0.03 -0.04 3.22 3.17 2ci5A1 ARG 98 H 0.02 0.42 -0.03 -0.55 8.46 8.32 2ci5A1 ARG 98 HA 0.02 0.09 0.38 -0.75 4.34 4.08 2ci5A1 ARG 98 HB2 0.01 -0.01 0.14 -0.04 1.90 2.00 2ci5A1 ARG 98 HB3 0.01 0.01 0.05 -0.04 1.80 1.82 2ci5A1 ARG 98 HG2 0.02 0.01 0.13 -0.04 1.67 1.79 2ci5A1 ARG 98 HG3 0.01 -0.02 0.10 -0.04 1.67 1.71 2ci5A1 ARG 98 HD2 0.01 -0.02 0.01 -0.04 3.22 3.18 2ci5A1 ARG 98 HD3 0.02 -0.07 0.01 -0.04 3.22 3.14 2ci5A1 LYS 99 H 0.01 0.18 -0.22 -0.55 8.42 7.84 2ci5A1 LYS 99 HA 0.01 0.08 0.40 -0.75 4.32 4.05 2ci5A1 LYS 99 HB2 0.01 0.05 -0.05 -0.04 1.87 1.84 2ci5A1 LYS 99 HB3 0.01 -0.02 0.04 -0.04 1.79 1.77 2ci5A1 LYS 99 HG2 0.01 0.01 0.02 -0.04 1.46 1.46 2ci5A1 LYS 99 HG3 0.01 0.02 -0.00 -0.04 1.46 1.44 2ci5A1 LYS 99 HD2 0.00 -0.02 0.04 -0.04 1.69 1.67 2ci5A1 LYS 99 HD3 0.01 0.02 -0.02 -0.04 1.68 1.64 2ci5A1 LYS 99 HE2 0.00 -0.01 -0.00 -0.04 2.99 2.94 2ci5A1 LYS 99 HE3 0.00 0.01 -0.01 -0.04 2.99 2.96 2ci5A1 GLU 100 H 0.02 0.50 -0.53 -0.55 8.60 8.04 2ci5A1 GLU 100 HA 0.01 0.00 0.42 -0.75 4.29 3.97 2ci5A1 GLU 100 HB2 0.03 0.26 0.06 -0.04 2.09 2.40 2ci5A1 GLU 100 HB3 0.03 -0.01 -0.01 -0.04 1.99 1.96 2ci5A1 GLU 100 HG2 0.02 -0.04 -0.00 -0.04 2.34 2.27 2ci5A1 GLU 100 HG3 0.03 -0.05 -0.00 -0.04 2.34 2.27 2ci5A1 ALA 101 H 0.02 0.52 -0.26 -0.55 8.40 8.13 2ci5A1 ALA 101 HA 0.02 0.05 0.43 -0.75 4.34 4.08 2ci5A1 ALA 101 HB3 0.01 0.03 0.13 -0.04 1.41 1.55 2ci5A1 ASP 102 H 0.01 0.32 -0.28 -0.55 8.40 7.91 2ci5A1 ASP 102 HA 0.00 0.05 0.34 -0.75 4.63 4.27 2ci5A1 ASP 102 HB2 0.01 0.02 0.13 -0.04 2.71 2.83 2ci5A1 ASP 102 HB3 0.00 -0.02 0.01 -0.04 2.70 2.66 2ci5A1 MET 103 H 0.01 0.24 -0.08 -0.55 8.47 8.09 2ci5A1 MET 103 HA 0.01 0.06 0.44 -0.75 4.52 4.27 2ci5A1 MET 103 HB2 0.01 -0.02 0.09 -0.04 2.15 2.19 2ci5A1 MET 103 HB3 0.01 0.09 0.04 -0.04 2.03 2.13 2ci5A1 MET 103 HG2 0.01 0.01 -0.09 -0.04 2.63 2.52 2ci5A1 MET 103 HG3 0.01 -0.03 0.08 -0.04 2.56 2.58 2ci5A1 MET 103 HE3 0.00 -0.02 -0.00 -0.04 2.10 2.04 2ci5A1 MET 104 H 0.01 0.32 -0.30 -0.55 8.47 7.96 2ci5A1 MET 104 HA 0.02 0.03 0.40 -0.75 4.52 4.22 2ci5A1 MET 104 HB2 0.02 0.02 0.03 -0.04 2.15 2.18 2ci5A1 MET 104 HB3 0.02 0.11 0.09 -0.04 2.03 2.20 2ci5A1 MET 104 HG2 0.02 0.03 -0.24 -0.04 2.63 2.40 2ci5A1 MET 104 HG3 0.02 -0.01 -0.34 -0.04 2.56 2.19 2ci5A1 MET 104 HE3 0.04 0.03 -0.11 -0.04 2.10 2.01 2ci5A1 LYS 105 H 0.01 0.70 -0.07 -0.55 8.42 8.50 2ci5A1 LYS 105 HA 0.00 0.01 0.34 -0.75 4.32 3.93 2ci5A1 LYS 105 HB2 0.00 0.05 0.10 -0.04 1.87 1.98 2ci5A1 LYS 105 HB3 0.00 0.11 0.15 -0.04 1.79 2.01 2ci5A1 LYS 105 HG2 -0.00 -0.02 -0.20 -0.04 1.46 1.20 2ci5A1 LYS 105 HG3 -0.00 -0.03 -0.02 -0.04 1.46 1.37 2ci5A1 LYS 105 HD2 -0.00 -0.01 -0.05 -0.04 1.69 1.59 2ci5A1 LYS 105 HD3 -0.00 -0.00 -0.04 -0.04 1.68 1.59 2ci5A1 LYS 105 HE2 -0.01 0.00 -0.07 -0.04 2.99 2.88 2ci5A1 LYS 105 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.87 2ci5A1 GLU 106 H 0.00 0.42 -0.27 -0.55 8.60 8.21 2ci5A1 GLU 106 HA 0.00 0.02 0.39 -0.75 4.29 3.94 2ci5A1 GLU 106 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2ci5A1 GLU 106 HB3 0.01 0.11 0.14 -0.04 1.99 2.20 2ci5A1 GLU 106 HG2 0.00 0.00 -0.17 -0.04 2.34 2.13 2ci5A1 GLU 106 HG3 0.00 -0.03 0.03 -0.04 2.34 2.30 2ci5A1 ALA 107 H 0.01 0.55 -0.11 -0.55 8.40 8.30 2ci5A1 ALA 107 HA 0.01 0.01 0.41 -0.75 4.34 4.01 2ci5A1 ALA 107 HB3 0.01 0.01 0.07 -0.04 1.41 1.46 2ci5A1 LEU 108 H 0.00 0.60 -0.22 -0.55 8.37 8.21 2ci5A1 LEU 108 HA -0.01 0.04 0.38 -0.75 4.35 4.00 2ci5A1 LEU 108 HB2 0.00 0.09 -0.02 -0.04 1.64 1.68 2ci5A1 LEU 108 HB3 0.00 -0.04 -0.10 -0.04 1.64 1.46 2ci5A1 LEU 108 HG 0.01 0.17 -0.05 -0.04 1.64 1.73 2ci5A1 LEU 108 HD13 0.02 -0.02 -0.21 -0.04 0.93 0.68 2ci5A1 LEU 108 HD23 0.01 -0.01 -0.19 -0.04 0.89 0.66 2ci5A1 GLU 109 H -0.00 0.47 -0.24 -0.55 8.60 8.28 2ci5A1 GLU 109 HA -0.01 0.10 0.47 -0.75 4.29 4.10 2ci5A1 GLU 109 HB2 -0.00 0.12 0.20 -0.04 2.09 2.36 2ci5A1 GLU 109 HB3 -0.01 -0.06 0.01 -0.04 1.99 1.89 2ci5A1 GLU 109 HG2 -0.01 -0.04 0.03 -0.04 2.34 2.28 2ci5A1 GLU 109 HG3 -0.00 0.21 0.06 -0.04 2.34 2.56 2ci5A1 LYS 110 H -0.01 0.48 -0.20 -0.55 8.42 8.14 2ci5A1 LYS 110 HA -0.01 0.02 0.38 -0.75 4.32 3.95 2ci5A1 LYS 110 HB2 -0.00 0.15 0.11 -0.04 1.87 2.09 2ci5A1 LYS 110 HB3 -0.00 -0.06 0.06 -0.04 1.79 1.75 2ci5A1 LYS 110 HG2 -0.00 -0.07 0.03 -0.04 1.46 1.38 2ci5A1 LYS 110 HG3 -0.00 0.24 0.09 -0.04 1.46 1.76 2ci5A1 LYS 110 HD2 0.01 0.00 -0.03 -0.04 1.69 1.63 2ci5A1 LYS 110 HD3 0.00 -0.04 -0.00 -0.04 1.68 1.60 2ci5A1 LYS 110 HE2 0.00 0.00 -0.08 -0.04 2.99 2.88 2ci5A1 LYS 110 HE3 0.01 -0.05 -0.04 -0.04 2.99 2.87 2ci5A1 LEU 111 H -0.03 0.23 -0.55 -0.55 8.37 7.47 2ci5A1 LEU 111 HA -0.10 0.07 0.57 -0.75 4.35 4.14 2ci5A1 LEU 111 HB2 -0.06 0.05 0.03 -0.04 1.64 1.62 2ci5A1 LEU 111 HB3 -0.16 -0.07 0.05 -0.04 1.64 1.43 2ci5A1 LEU 111 HG -0.03 0.18 -0.06 -0.04 1.64 1.69 2ci5A1 LEU 111 HD13 -0.03 -0.04 -0.15 -0.04 0.93 0.67 2ci5A1 LEU 111 HD23 -0.18 -0.01 -0.08 -0.04 0.89 0.59 2ci5A1 GLN 112 H -0.03 0.41 -0.65 -0.55 8.47 7.65 2ci5A1 GLN 112 HA -0.02 0.11 0.31 -0.75 4.36 4.01 2ci5A1 GLN 112 HB2 -0.04 0.18 -0.02 -0.04 2.15 2.23 2ci5A1 GLN 112 HB3 -0.02 -0.09 0.20 -0.04 2.02 2.07 2ci5A1 GLN 112 HG2 -0.02 -0.00 -0.01 -0.04 2.40 2.33 2ci5A1 GLN 112 HG3 -0.03 0.08 -0.30 -0.04 2.39 2.10 2ci5A1 GLN 112 HE21 -0.01 -0.07 -0.02 -0.04 6.97 6.83 2ci5A1 GLN 112 HE22 -0.02 0.06 -0.07 -0.04 7.69 7.62 2ci5A1 LEU 113 H -0.02 0.35 -0.12 -0.55 8.37 8.03 2ci5A1 LEU 113 HA -0.01 0.17 0.65 -0.75 4.35 4.41 2ci5A1 LEU 113 HB2 -0.00 -0.03 -0.15 -0.04 1.64 1.41 2ci5A1 LEU 113 HB3 0.01 -0.00 -0.17 -0.04 1.64 1.44 2ci5A1 LEU 113 HG -0.04 0.03 -0.25 -0.04 1.64 1.34 2ci5A1 LEU 113 HD13 -0.01 -0.04 -0.19 -0.04 0.93 0.65 2ci5A1 LEU 113 HD23 -0.01 -0.00 -0.17 -0.04 0.89 0.66 2ci5A1 ASN 114 H 0.01 0.72 0.40 -0.55 8.53 9.11 2ci5A1 ASN 114 HA -0.00 0.03 0.63 -0.75 4.76 4.67 2ci5A1 ASN 114 HB2 0.02 -0.04 0.22 -0.04 2.88 3.03 2ci5A1 ASN 114 HB3 -0.00 -0.03 0.05 -0.04 2.79 2.77 2ci5A1 ASN 114 HD21 0.02 -0.04 0.04 -0.04 7.03 7.01 2ci5A1 ASN 114 HD22 0.03 -0.04 -0.06 -0.04 7.74 7.63 2ci5A1 ILE 115 H -0.01 0.15 0.17 -0.55 8.25 8.01 2ci5A1 ILE 115 HA -0.01 0.29 0.96 -0.75 4.18 4.67 2ci5A1 ILE 115 HB -0.01 -0.05 0.09 -0.04 1.89 1.87 2ci5A1 ILE 115 HG12 -0.01 0.17 -0.10 -0.04 1.49 1.52 2ci5A1 ILE 115 HG13 -0.01 -0.03 -0.08 -0.04 1.21 1.06 2ci5A1 ILE 115 HG23 -0.01 -0.02 -0.21 -0.04 0.93 0.64 2ci5A1 ILE 115 HD13 0.00 0.00 -0.43 -0.04 0.88 0.42 2ci5A1 VAL 116 H -0.03 0.74 0.37 -0.55 8.24 8.76 2ci5A1 VAL 116 HA -0.05 0.12 0.89 -0.75 4.13 4.34 2ci5A1 VAL 116 HB -0.14 -0.01 0.07 -0.04 2.12 2.00 2ci5A1 VAL 116 HG13 -0.11 -0.00 -0.14 -0.04 0.97 0.68 2ci5A1 VAL 116 HG23 -0.11 0.02 -0.17 -0.04 0.95 0.64 2ci5A1 GLU 117 H -0.04 0.16 0.12 -0.55 8.60 8.29 2ci5A1 GLU 117 HA -0.03 0.23 1.00 -0.75 4.29 4.74 2ci5A1 GLU 117 HB2 -0.02 -0.05 0.05 -0.04 2.09 2.03 2ci5A1 GLU 117 HB3 -0.02 0.06 -0.17 -0.04 1.99 1.82 2ci5A1 GLU 117 HG2 -0.01 0.06 -0.03 -0.04 2.34 2.32 2ci5A1 GLU 117 HG3 -0.02 -0.03 -0.16 -0.04 2.34 2.10 2ci5A1 MET 118 H -0.02 0.69 0.16 -0.55 8.47 8.75 2ci5A1 MET 118 HA -0.03 0.01 0.59 -0.75 4.52 4.33 2ci5A1 MET 118 HB2 -0.03 0.04 -0.01 -0.04 2.15 2.12 2ci5A1 MET 118 HB3 -0.01 0.03 0.07 -0.04 2.03 2.08 2ci5A1 MET 118 HG2 -0.01 0.08 -0.23 -0.04 2.63 2.43 2ci5A1 MET 118 HG3 -0.02 -0.05 -0.07 -0.04 2.56 2.38 2ci5A1 MET 118 HE3 -0.02 0.03 -0.13 -0.04 2.10 1.94 2ci5A1 LYS 119 H -0.02 0.16 0.09 -0.55 8.42 8.09 2ci5A1 LYS 119 HA -0.01 0.25 0.74 -0.75 4.32 4.55 2ci5A1 LYS 119 HB2 -0.02 -0.03 0.02 -0.04 1.87 1.81 2ci5A1 LYS 119 HB3 -0.01 -0.02 0.01 -0.04 1.79 1.73 2ci5A1 LYS 119 HG2 -0.01 0.03 -0.15 -0.04 1.46 1.28 2ci5A1 LYS 119 HG3 -0.02 0.08 -0.26 -0.04 1.46 1.22 2ci5A1 LYS 119 HD2 -0.02 -0.00 -0.01 -0.04 1.69 1.62 2ci5A1 LYS 119 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.57 2ci5A1 LYS 119 HE2 -0.01 -0.00 -0.04 -0.04 2.99 2.89 2ci5A1 LYS 119 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.93 2ci5A1 ASP 120 H -0.02 0.03 0.01 -0.55 8.40 7.87 2ci5A1 ASP 120 HA -0.01 0.02 0.39 -0.75 4.63 4.28 2ci5A1 ASP 120 HB2 -0.01 0.06 0.11 -0.04 2.71 2.82 2ci5A1 ASP 120 HB3 -0.01 -0.00 0.06 -0.04 2.70 2.71 2ci5A1 GLU 121 H -0.00 0.12 0.22 -0.55 8.60 8.39 2ci5A1 GLU 121 HA 0.00 0.22 0.42 -0.75 4.29 4.18 2ci5A1 GLU 121 HB2 -0.00 -0.06 0.11 -0.04 2.09 2.10 2ci5A1 GLU 121 HB3 0.00 0.01 0.15 -0.04 1.99 2.11 2ci5A1 GLU 121 HG2 -0.00 0.06 0.07 -0.04 2.34 2.43 2ci5A1 GLU 121 HG3 -0.00 0.05 0.13 -0.04 2.34 2.48 2ci5A1 ASN 122 H -0.00 -0.03 -0.53 -0.55 8.53 7.42 2ci5A1 ASN 122 HA 0.00 0.24 0.80 -0.75 4.76 5.05 2ci5A1 ASN 122 HB2 -0.00 -0.04 -0.03 -0.04 2.88 2.77 2ci5A1 ASN 122 HB3 0.00 -0.02 0.12 -0.04 2.79 2.85 2ci5A1 ASN 122 HD21 -0.00 0.03 -0.04 -0.04 7.03 6.97 2ci5A1 ASN 122 HD22 -0.00 -0.02 -0.03 -0.04 7.74 7.64 2ci5A1 ALA 123 H -0.00 0.54 -0.26 -0.55 8.40 8.14 2ci5A1 ALA 123 HA 0.00 -0.01 0.89 -0.75 4.34 4.47 2ci5A1 ALA 123 HB3 -0.01 0.01 -0.16 -0.04 1.41 1.22 2ci5A1 THR 124 H 0.01 0.01 0.23 -0.55 8.28 7.98 2ci5A1 THR 124 HA 0.01 0.46 0.79 -0.75 4.39 4.89 2ci5A1 THR 124 HB 0.02 0.06 -0.03 -0.04 4.32 4.33 2ci5A1 THR 124 HG23 0.01 0.02 -0.29 -0.04 1.22 0.92 2ci5A1 LEU 125 H 0.02 0.71 0.12 -0.55 8.37 8.67 2ci5A1 LEU 125 HA 0.02 -0.03 0.58 -0.75 4.35 4.16 2ci5A1 LEU 125 HB2 0.01 0.01 -0.24 -0.04 1.64 1.37 2ci5A1 LEU 125 HB3 0.00 -0.05 -0.10 -0.04 1.64 1.44 2ci5A1 LEU 125 HG -0.00 0.06 -0.22 -0.04 1.64 1.44 2ci5A1 LEU 125 HD13 0.00 -0.01 -0.64 -0.04 0.93 0.25 2ci5A1 LEU 125 HD23 0.01 -0.02 -0.16 -0.04 0.89 0.67 2ci5A1 ASP 126 H 0.02 0.14 0.03 -0.55 8.40 8.04 2ci5A1 ASP 126 HA 0.00 0.35 0.88 -0.75 4.63 5.12 2ci5A1 ASP 126 HB2 0.06 -0.04 0.09 -0.04 2.71 2.77 2ci5A1 ASP 126 HB3 -0.23 -0.12 0.03 -0.04 2.70 2.33 2ci5A1 GLY 127 H -0.03 0.51 0.26 -0.55 8.43 8.63 2ci5A1 GLY 127 HA2 -0.02 0.05 0.29 -0.51 4.01 3.82 2ci5A1 GLY 127 HA3 -0.02 0.53 0.34 -0.51 4.01 4.35 2ci5A1 GLY 128 H -0.33 -0.03 -0.48 -0.55 8.43 7.05 2ci5A1 GLY 128 HA2 -0.17 0.21 0.33 -0.51 4.01 3.87 2ci5A1 GLY 128 HA3 -0.68 -0.04 0.18 -0.51 4.01 2.96 2ci5A1 ASP 129 H -0.21 0.60 -0.36 -0.55 8.40 7.88 2ci5A1 ASP 129 HA -0.03 -0.25 0.76 -0.75 4.63 4.35 2ci5A1 ASP 129 HB2 -0.01 0.20 0.17 -0.04 2.71 3.03 2ci5A1 ASP 129 HB3 0.03 0.05 0.27 -0.04 2.70 3.01 2ci5A1 VAL 130 H -0.03 0.49 -0.38 -0.55 8.24 7.77 2ci5A1 VAL 130 HA 0.10 0.25 1.09 -0.75 4.13 4.82 2ci5A1 VAL 130 HB 0.06 0.16 0.16 -0.04 2.12 2.46 2ci5A1 VAL 130 HG13 0.24 -0.01 -0.22 -0.04 0.97 0.93 2ci5A1 VAL 130 HG23 0.03 -0.02 -0.14 -0.04 0.95 0.77 2ci5A1 LEU 131 H 0.17 0.76 0.32 -0.55 8.37 9.07 2ci5A1 LEU 131 HA 0.09 0.17 0.90 -0.75 4.35 4.75 2ci5A1 LEU 131 HB2 0.03 -0.02 -0.14 -0.04 1.64 1.48 2ci5A1 LEU 131 HB3 0.18 -0.02 0.14 -0.04 1.64 1.89 2ci5A1 LEU 131 HG 0.06 -0.01 -0.35 -0.04 1.64 1.30 2ci5A1 LEU 131 HD13 0.02 0.02 -0.09 -0.04 0.93 0.84 2ci5A1 LEU 131 HD23 -0.04 -0.00 -0.16 -0.04 0.89 0.64 2ci5A1 PHE 132 H 0.16 0.26 0.13 -0.55 8.34 8.33 2ci5A1 PHE 132 HA -0.49 0.22 0.97 -0.75 4.62 4.56 2ci5A1 PHE 132 HB2 -0.36 0.01 0.01 -0.04 3.15 2.77 2ci5A1 PHE 132 HB3 -0.15 0.04 0.20 -0.04 3.06 3.11 2ci5A1 PHE 132 HD2 -1.11 0.07 -0.06 -0.04 7.28 6.14 2ci5A1 PHE 132 HE2 -0.79 0.04 -0.12 -0.04 7.38 6.47 2ci5A1 PHE 132 HZ -0.47 0.12 -0.07 -0.04 7.32 6.86 2ci5A1 THR 133 H -0.52 0.59 0.31 -0.55 8.28 8.11 2ci5A1 THR 133 HA -0.40 0.19 0.63 -0.75 4.39 4.05 2ci5A1 THR 133 HB -0.22 0.09 0.10 -0.04 4.32 4.25 2ci5A1 THR 133 HG23 -0.19 0.04 -0.11 -0.04 1.22 0.91 2ci5A1 GLY 134 H -2.17 0.11 -0.16 -0.55 8.43 5.67 2ci5A1 GLY 134 HA2 -0.95 0.01 0.32 -0.51 4.01 2.88 2ci5A1 GLY 134 HA3 -0.90 0.26 0.81 -0.51 4.01 3.68 2ci5A1 ARG 135 H -0.51 -0.07 -0.37 -0.55 8.46 6.95 2ci5A1 ARG 135 HA -0.06 0.24 0.88 -0.75 4.34 4.64 2ci5A1 ARG 135 HB2 -0.16 -0.04 -0.00 -0.04 1.90 1.65 2ci5A1 ARG 135 HB3 -0.17 -0.02 -0.03 -0.04 1.80 1.54 2ci5A1 ARG 135 HG2 -0.25 0.02 -0.02 -0.04 1.67 1.38 2ci5A1 ARG 135 HG3 -0.31 0.07 -0.17 -0.04 1.67 1.22 2ci5A1 ARG 135 HD2 -0.84 0.04 -0.05 -0.04 3.22 2.33 2ci5A1 ARG 135 HD3 -0.87 -0.06 -0.05 -0.04 3.22 2.20 2ci5A1 GLU 136 H -0.34 -0.01 0.20 -0.55 8.60 7.90 2ci5A1 GLU 136 HA 0.16 0.16 0.60 -0.75 4.29 4.46 2ci5A1 GLU 136 HB2 -0.08 0.16 0.16 -0.04 2.09 2.28 2ci5A1 GLU 136 HB3 -0.02 0.06 -0.19 -0.04 1.99 1.80 2ci5A1 GLU 136 HG2 -0.16 -0.17 -0.13 -0.04 2.34 1.84 2ci5A1 GLU 136 HG3 -0.74 0.07 -0.37 -0.04 2.34 1.25 2ci5A1 PHE 137 H 0.13 0.82 0.36 -0.55 8.34 9.09 2ci5A1 PHE 137 HA -0.02 0.24 1.21 -0.75 4.62 5.29 2ci5A1 PHE 137 HB2 -0.00 0.03 0.08 -0.04 3.15 3.22 2ci5A1 PHE 137 HB3 0.01 -0.02 -0.13 -0.04 3.06 2.88 2ci5A1 PHE 137 HD2 0.02 0.05 -0.19 -0.04 7.28 7.11 2ci5A1 PHE 137 HE2 -0.59 0.02 -0.14 -0.04 7.38 6.63 2ci5A1 PHE 137 HZ -1.62 0.00 -0.13 -0.04 7.32 5.53 2ci5A1 PHE 138 H 0.19 0.65 0.36 -0.55 8.34 8.98 2ci5A1 PHE 138 HA 0.09 0.30 0.93 -0.75 4.62 5.19 2ci5A1 PHE 138 HB2 0.00 -0.04 0.14 -0.04 3.15 3.22 2ci5A1 PHE 138 HB3 0.03 -0.01 -0.04 -0.04 3.06 2.99 2ci5A1 PHE 138 HD2 -0.04 0.02 -0.08 -0.04 7.28 7.14 2ci5A1 PHE 138 HE2 -0.15 0.03 -0.09 -0.04 7.38 7.13 2ci5A1 PHE 138 HZ 0.10 0.06 -0.11 -0.04 7.32 7.33 2ci5A1 VAL 139 H 0.19 0.74 0.30 -0.55 8.24 8.92 2ci5A1 VAL 139 HA 0.11 0.32 1.15 -0.75 4.13 4.96 2ci5A1 VAL 139 HB 0.08 -0.05 -0.04 -0.04 2.12 2.07 2ci5A1 VAL 139 HG13 0.05 0.00 -0.23 -0.04 0.97 0.75 2ci5A1 VAL 139 HG23 0.07 0.00 -0.29 -0.04 0.95 0.70 2ci5A1 GLY 140 H 0.06 0.65 0.31 -0.55 8.43 8.91 2ci5A1 GLY 140 HA2 0.09 0.35 0.72 -0.51 4.01 4.66 2ci5A1 GLY 140 HA3 0.07 -0.14 0.36 -0.51 4.01 3.79 2ci5A1 LEU 141 H 0.07 0.57 0.28 -0.55 8.37 8.75 2ci5A1 LEU 141 HA 0.05 0.20 0.76 -0.75 4.35 4.61 2ci5A1 LEU 141 HB2 0.05 -0.06 0.16 -0.04 1.64 1.74 2ci5A1 LEU 141 HB3 0.04 0.02 0.08 -0.04 1.64 1.74 2ci5A1 LEU 141 HG 0.06 0.02 -0.10 -0.04 1.64 1.58 2ci5A1 LEU 141 HD13 0.04 -0.01 -0.05 -0.04 0.93 0.87 2ci5A1 LEU 141 HD23 0.04 -0.01 -0.28 -0.04 0.89 0.60 2ci5A1 SER 142 H 0.06 0.27 0.27 -0.55 8.46 8.51 2ci5A1 SER 142 HA 0.05 0.29 0.92 -0.75 4.49 5.00 2ci5A1 SER 142 HB2 0.05 0.07 0.26 -0.04 3.95 4.29 2ci5A1 SER 142 HB3 0.09 0.00 -0.10 -0.04 3.93 3.88 2ci5A1 LYS 143 H 0.03 0.25 0.20 -0.55 8.42 8.34 2ci5A1 LYS 143 HA 0.02 0.16 0.51 -0.75 4.32 4.26 2ci5A1 LYS 143 HB2 0.00 -0.01 0.09 -0.04 1.87 1.91 2ci5A1 LYS 143 HB3 0.01 0.04 0.11 -0.04 1.79 1.90 2ci5A1 LYS 143 HG2 0.01 0.04 0.02 -0.04 1.46 1.49 2ci5A1 LYS 143 HG3 0.01 -0.00 0.08 -0.04 1.46 1.51 2ci5A1 LYS 143 HD2 0.00 0.02 0.03 -0.04 1.69 1.71 2ci5A1 LYS 143 HD3 0.00 -0.00 0.02 -0.04 1.68 1.66 2ci5A1 LYS 143 HE2 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2ci5A1 LYS 143 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.93 2ci5A1 ARG 144 H 0.05 -0.07 -0.28 -0.55 8.46 7.61 2ci5A1 ARG 144 HA 0.04 0.25 0.80 -0.75 4.34 4.69 2ci5A1 ARG 144 HB2 0.15 0.01 0.05 -0.04 1.90 2.07 2ci5A1 ARG 144 HB3 0.11 -0.13 0.03 -0.04 1.80 1.77 2ci5A1 ARG 144 HG2 0.01 -0.01 -0.12 -0.04 1.67 1.50 2ci5A1 ARG 144 HG3 0.05 0.01 -0.05 -0.04 1.67 1.65 2ci5A1 ARG 144 HD2 0.06 -0.18 -0.03 -0.04 3.22 3.02 2ci5A1 ARG 144 HD3 0.03 0.19 -0.22 -0.04 3.22 3.18 2ci5A1 THR 145 H 0.06 -0.03 -0.07 -0.55 8.28 7.69 2ci5A1 THR 145 HA 0.03 0.30 0.78 -0.75 4.39 4.75 2ci5A1 THR 145 HB 0.06 0.07 0.29 -0.04 4.32 4.69 2ci5A1 THR 145 HG23 0.03 0.04 -0.04 -0.04 1.22 1.21 2ci5A1 ASN 146 H 0.02 0.37 0.27 -0.55 8.53 8.64 2ci5A1 ASN 146 HA 0.03 0.31 1.03 -0.75 4.76 5.37 2ci5A1 ASN 146 HB2 0.02 -0.10 0.23 -0.04 2.88 2.99 2ci5A1 ASN 146 HB3 0.02 0.15 0.00 -0.04 2.79 2.92 2ci5A1 ASN 146 HD21 0.01 0.24 0.01 -0.04 7.03 7.25 2ci5A1 ASN 146 HD22 0.01 0.05 0.01 -0.04 7.74 7.77 2ci5A1 GLN 147 H 0.02 0.22 0.19 -0.55 8.47 8.35 2ci5A1 GLN 147 HA 0.02 0.12 0.40 -0.75 4.36 4.14 2ci5A1 GLN 147 HB2 0.02 0.06 0.14 -0.04 2.15 2.33 2ci5A1 GLN 147 HB3 0.01 -0.01 0.14 -0.04 2.02 2.12 2ci5A1 GLN 147 HG2 0.02 0.01 0.04 -0.04 2.40 2.43 2ci5A1 GLN 147 HG3 0.02 0.05 0.00 -0.04 2.39 2.42 2ci5A1 GLN 147 HE21 0.01 0.02 -0.10 -0.04 6.97 6.85 2ci5A1 GLN 147 HE22 0.01 0.05 -0.06 -0.04 7.69 7.65 2ci5A1 ARG 148 H 0.01 0.14 -0.10 -0.55 8.46 7.96 2ci5A1 ARG 148 HA 0.00 0.11 0.39 -0.75 4.34 4.08 2ci5A1 ARG 148 HB2 0.00 0.08 0.10 -0.04 1.90 2.04 2ci5A1 ARG 148 HB3 -0.00 -0.01 -0.16 -0.04 1.80 1.59 2ci5A1 ARG 148 HG2 0.00 0.02 -0.01 -0.04 1.67 1.64 2ci5A1 ARG 148 HG3 -0.00 -0.00 -0.13 -0.04 1.67 1.50 2ci5A1 ARG 148 HD2 -0.01 -0.06 0.13 -0.04 3.22 3.23 2ci5A1 ARG 148 HD3 -0.00 0.04 -0.01 -0.04 3.22 3.21 2ci5A1 GLY 149 H 0.01 0.09 -0.21 -0.55 8.43 7.77 2ci5A1 GLY 149 HA2 -0.01 0.03 0.32 -0.51 4.01 3.85 2ci5A1 GLY 149 HA3 0.00 0.29 0.25 -0.51 4.01 4.05 2ci5A1 ALA 150 H 0.01 0.43 -0.22 -0.55 8.40 8.07 2ci5A1 ALA 150 HA 0.00 0.04 0.33 -0.75 4.34 3.96 2ci5A1 ALA 150 HB3 0.03 0.03 -0.03 -0.04 1.41 1.40 2ci5A1 GLU 151 H -0.00 0.38 -0.27 -0.55 8.60 8.16 2ci5A1 GLU 151 HA -0.00 0.07 0.40 -0.75 4.29 4.00 2ci5A1 GLU 151 HB2 0.00 0.09 0.13 -0.04 2.09 2.27 2ci5A1 GLU 151 HB3 -0.01 0.04 0.07 -0.04 1.99 2.05 2ci5A1 GLU 151 HG2 -0.01 -0.00 -0.04 -0.04 2.34 2.25 2ci5A1 GLU 151 HG3 0.00 0.01 0.02 -0.04 2.34 2.33 2ci5A1 ILE 152 H -0.02 0.51 -0.15 -0.55 8.25 8.04 2ci5A1 ILE 152 HA -0.05 0.03 0.35 -0.75 4.18 3.76 2ci5A1 ILE 152 HB -0.04 0.11 0.06 -0.04 1.89 1.99 2ci5A1 ILE 152 HG12 -0.03 -0.02 0.00 -0.04 1.49 1.40 2ci5A1 ILE 152 HG13 -0.02 0.17 0.06 -0.04 1.21 1.37 2ci5A1 ILE 152 HG23 -0.07 -0.01 -0.15 -0.04 0.93 0.65 2ci5A1 ILE 152 HD13 -0.02 -0.04 -0.05 -0.04 0.88 0.72 2ci5A1 LEU 153 H -0.05 0.37 -0.43 -0.55 8.37 7.72 2ci5A1 LEU 153 HA -0.12 0.02 0.30 -0.75 4.35 3.79 2ci5A1 LEU 153 HB2 -0.04 0.02 0.01 -0.04 1.64 1.59 2ci5A1 LEU 153 HB3 -0.05 0.14 0.03 -0.04 1.64 1.72 2ci5A1 LEU 153 HG 0.00 -0.02 -0.07 -0.04 1.64 1.51 2ci5A1 LEU 153 HD13 -0.05 -0.02 -0.14 -0.04 0.93 0.68 2ci5A1 LEU 153 HD23 -0.42 -0.00 -0.37 -0.04 0.89 0.06 2ci5A1 ALA 154 H -0.05 0.45 -0.24 -0.55 8.40 8.02 2ci5A1 ALA 154 HA -0.02 0.08 0.29 -0.75 4.34 3.93 2ci5A1 ALA 154 HB3 0.00 0.02 0.08 -0.04 1.41 1.47 2ci5A1 ASP 155 H -0.06 0.45 -0.28 -0.55 8.40 7.97 2ci5A1 ASP 155 HA -0.04 0.02 0.34 -0.75 4.63 4.19 2ci5A1 ASP 155 HB2 -0.07 0.07 0.10 -0.04 2.71 2.76 2ci5A1 ASP 155 HB3 -0.06 -0.06 -0.01 -0.04 2.70 2.52 2ci5A1 THR 156 H -0.21 0.35 -0.53 -0.55 8.28 7.34 2ci5A1 THR 156 HA -0.28 0.04 0.57 -0.75 4.39 3.96 2ci5A1 THR 156 HB -0.80 0.11 0.07 -0.04 4.32 3.66 2ci5A1 THR 156 HG23 -0.87 -0.03 -0.15 -0.04 1.22 0.13 2ci5A1 PHE 157 H -0.18 0.49 -0.17 -0.55 8.34 7.92 2ci5A1 PHE 157 HA 0.05 0.11 0.83 -0.75 4.62 4.86 2ci5A1 PHE 157 HB2 -0.26 0.06 0.10 -0.04 3.15 3.01 2ci5A1 PHE 157 HB3 0.20 -0.07 0.05 -0.04 3.06 3.19 2ci5A1 PHE 157 HD2 -0.31 0.03 -0.08 -0.04 7.28 6.88 2ci5A1 PHE 157 HE2 -0.15 0.01 -0.10 -0.04 7.38 7.10 2ci5A1 PHE 157 HZ -0.09 0.07 -0.14 -0.04 7.32 7.12 2ci5A1 LYS 158 H 0.05 0.00 -0.29 -0.55 8.42 7.62 2ci5A1 LYS 158 HA 0.06 0.21 0.35 -0.75 4.32 4.19 2ci5A1 LYS 158 HB2 0.03 -0.06 -0.01 -0.04 1.87 1.79 2ci5A1 LYS 158 HB3 0.02 -0.04 0.03 -0.04 1.79 1.76 2ci5A1 LYS 158 HG2 -0.01 -0.09 0.02 -0.04 1.46 1.34 2ci5A1 LYS 158 HG3 -0.01 0.07 0.00 -0.04 1.46 1.48 2ci5A1 LYS 158 HD2 -0.06 0.33 0.05 -0.04 1.69 1.97 2ci5A1 LYS 158 HD3 -0.02 0.00 -0.40 -0.04 1.68 1.22 2ci5A1 LYS 158 HE2 -0.02 0.06 0.04 -0.04 2.99 3.03 2ci5A1 LYS 158 HE3 0.02 -0.10 0.01 -0.04 2.99 2.88 2ci5A1 ASP 159 H 0.15 0.05 -0.30 -0.55 8.40 7.75 2ci5A1 ASP 159 HA -0.03 0.08 0.45 -0.75 4.63 4.37 2ci5A1 ASP 159 HB2 -0.07 0.00 -0.03 -0.04 2.71 2.57 2ci5A1 ASP 159 HB3 -0.23 0.01 0.10 -0.04 2.70 2.53 2ci5A1 TYR 160 H 0.31 0.49 -0.47 -0.55 8.29 8.07 2ci5A1 TYR 160 HA 0.12 0.19 1.03 -0.75 4.56 5.15 2ci5A1 TYR 160 HB2 0.49 0.06 -0.05 -0.04 3.06 3.52 2ci5A1 TYR 160 HB3 0.34 -0.04 -0.02 -0.04 2.98 3.21 2ci5A1 TYR 160 HD2 0.20 0.06 -0.26 -0.04 7.15 7.11 2ci5A1 TYR 160 HE2 0.13 0.07 -0.13 -0.04 6.85 6.89 2ci5A1 ALA 161 H 0.19 0.15 0.23 -0.55 8.40 8.42 2ci5A1 ALA 161 HA 0.10 0.11 0.59 -0.75 4.34 4.38 2ci5A1 ALA 161 HB3 0.05 0.00 0.11 -0.04 1.41 1.53 2ci5A1 VAL 162 H 0.08 0.24 0.20 -0.55 8.24 8.20 2ci5A1 VAL 162 HA 0.11 0.22 0.93 -0.75 4.13 4.64 2ci5A1 VAL 162 HB 0.04 -0.03 0.09 -0.04 2.12 2.18 2ci5A1 VAL 162 HG13 0.04 -0.03 -0.27 -0.04 0.97 0.67 2ci5A1 VAL 162 HG23 0.03 0.04 -0.26 -0.04 0.95 0.72 2ci5A1 SER 163 H 0.01 0.63 0.29 -0.55 8.46 8.85 2ci5A1 SER 163 HA 0.08 0.13 0.94 -0.75 4.49 4.88 2ci5A1 SER 163 HB2 0.22 -0.01 0.06 -0.04 3.95 4.18 2ci5A1 SER 163 HB3 0.18 0.05 0.05 -0.04 3.93 4.17 2ci5A1 THR 164 H 0.10 0.13 0.17 -0.55 8.28 8.13 2ci5A1 THR 164 HA 0.12 0.29 0.86 -0.75 4.39 4.91 2ci5A1 THR 164 HB 0.07 -0.03 0.02 -0.04 4.32 4.33 2ci5A1 THR 164 HG23 0.06 -0.00 -0.08 -0.04 1.22 1.15 2ci5A1 VAL 165 H 0.10 0.51 0.30 -0.55 8.24 8.60 2ci5A1 VAL 165 HA 0.08 0.20 0.76 -0.75 4.13 4.41 2ci5A1 VAL 165 HB 0.10 -0.12 -0.09 -0.04 2.12 1.97 2ci5A1 VAL 165 HG13 0.07 0.05 -0.03 -0.04 0.97 1.02 2ci5A1 VAL 165 HG23 0.09 0.02 -0.34 -0.04 0.95 0.68 2ci5A1 PRO 166 HA 0.06 0.12 0.70 -0.51 4.44 4.82 2ci5A1 PRO 166 HB2 0.03 -0.02 0.01 -0.04 2.28 2.27 2ci5A1 PRO 166 HB3 0.04 0.05 0.07 -0.04 2.02 2.13 2ci5A1 PRO 166 HG2 0.03 0.05 0.04 -0.04 2.03 2.11 2ci5A1 PRO 166 HG3 0.04 0.03 0.02 -0.04 2.03 2.07 2ci5A1 PRO 166 HD2 0.04 0.11 0.18 -0.04 3.68 3.98 2ci5A1 PRO 166 HD3 0.05 0.18 0.09 -0.04 3.65 3.94 2ci5A1 VAL 167 H 0.08 0.62 0.29 -0.55 8.24 8.68 2ci5A1 VAL 167 HA 0.22 0.13 0.69 -0.75 4.13 4.41 2ci5A1 VAL 167 HB 0.10 -0.01 0.00 -0.04 2.12 2.17 2ci5A1 VAL 167 HG13 0.19 0.00 -0.52 -0.04 0.97 0.60 2ci5A1 VAL 167 HG23 0.12 -0.01 -0.21 -0.04 0.95 0.81 2ci5A1 VAL 168 H 0.05 0.25 0.02 -0.55 8.24 8.01 2ci5A1 VAL 168 HA 0.02 0.20 0.99 -0.75 4.13 4.59 2ci5A1 VAL 168 HB -0.05 -0.03 0.01 -0.04 2.12 2.02 2ci5A1 VAL 168 HG13 -0.02 0.00 -0.11 -0.04 0.97 0.80 2ci5A1 VAL 168 HG23 0.00 0.03 -0.24 -0.04 0.95 0.70 2ci5A1 ASP 169 H 0.01 0.18 0.12 -0.55 8.40 8.16 2ci5A1 ASP 169 HA 0.00 0.04 0.31 -0.75 4.63 4.23 2ci5A1 ASP 169 HB2 -0.04 0.11 -0.08 -0.04 2.71 2.66 2ci5A1 ASP 169 HB3 -0.02 -0.01 0.21 -0.04 2.70 2.85 2ci5A1 ALA 170 H 0.04 0.29 -0.26 -0.55 8.40 7.92 2ci5A1 ALA 170 HA 0.04 0.07 0.43 -0.75 4.34 4.13 2ci5A1 ALA 170 HB3 0.21 0.03 -0.20 -0.04 1.41 1.40 2ci5A1 LEU 171 H -0.04 0.16 0.09 -0.55 8.37 8.04 2ci5A1 LEU 171 HA -0.12 0.08 0.47 -0.75 4.35 4.03 2ci5A1 LEU 171 HB2 -0.18 0.01 0.10 -0.04 1.64 1.53 2ci5A1 LEU 171 HB3 -0.27 -0.00 0.15 -0.04 1.64 1.47 2ci5A1 LEU 171 HG -1.26 -0.06 -0.28 -0.04 1.64 -0.00 2ci5A1 LEU 171 HD13 -0.20 -0.01 -0.02 -0.04 0.93 0.66 2ci5A1 LEU 171 HD23 -0.35 0.03 -0.03 -0.04 0.89 0.50 2ci5A1 HIS 172 H -0.03 0.12 -0.02 -0.55 8.41 7.95 2ci5A1 HIS 172 HA -0.01 0.22 0.85 -0.75 4.63 4.93 2ci5A1 HIS 172 HB2 -0.07 0.00 -0.16 -0.04 3.26 3.00 2ci5A1 HIS 172 HB3 -0.06 0.15 -0.37 -0.04 3.20 2.88 2ci5A1 HIS 172 HD2 -0.01 0.03 -0.09 -0.04 6.97 6.86 2ci5A1 HIS 172 HE1 -0.06 0.09 -0.04 -0.04 7.75 7.69 2ci5A1 LEU 173 H 0.03 0.16 0.11 -0.55 8.37 8.13 2ci5A1 LEU 173 HA -0.34 0.07 0.30 -0.75 4.35 3.63 2ci5A1 LEU 173 HB2 -0.02 -0.04 0.13 -0.04 1.64 1.66 2ci5A1 LEU 173 HB3 -0.07 0.06 0.08 -0.04 1.64 1.66 2ci5A1 LEU 173 HG -0.21 0.03 -0.37 -0.04 1.64 1.05 2ci5A1 LEU 173 HD13 -0.14 -0.00 -0.09 -0.04 0.93 0.66 2ci5A1 LEU 173 HD23 0.05 0.02 -0.22 -0.04 0.89 0.69 2ci5A1 LYS 174 H -0.11 0.39 -0.13 -0.55 8.42 8.01 2ci5A1 LYS 174 HA -0.25 0.21 0.63 -0.75 4.32 4.15 2ci5A1 LYS 174 HB2 -0.06 0.04 0.14 -0.04 1.87 1.94 2ci5A1 LYS 174 HB3 -0.04 -0.01 0.25 -0.04 1.79 1.95 2ci5A1 LYS 174 HG2 -0.08 0.03 -0.15 -0.04 1.46 1.22 2ci5A1 LYS 174 HG3 -0.07 -0.04 -0.22 -0.04 1.46 1.10 2ci5A1 LYS 174 HD2 0.01 -0.06 0.14 -0.04 1.69 1.73 2ci5A1 LYS 174 HD3 0.02 -0.02 0.05 -0.04 1.68 1.69 2ci5A1 LYS 174 HE2 -0.03 0.03 0.02 -0.04 2.99 2.97 2ci5A1 LYS 174 HE3 -0.01 -0.18 0.06 -0.04 2.99 2.81 2ci5A1 SER 175 H -0.21 0.51 -0.71 -0.55 8.46 7.50 2ci5A1 SER 175 HA -0.01 0.08 0.53 -0.75 4.49 4.34 2ci5A1 SER 175 HB2 0.09 0.20 0.02 -0.04 3.95 4.21 2ci5A1 SER 175 HB3 0.06 -0.04 0.11 -0.04 3.93 4.02 2ci5A1 PHE 176 H -0.54 0.31 -0.29 -0.55 8.34 7.27 2ci5A1 PHE 176 HA -0.02 0.31 0.62 -0.75 4.62 4.78 2ci5A1 PHE 176 HB2 -0.03 -0.17 0.21 -0.04 3.15 3.12 2ci5A1 PHE 176 HB3 -0.02 -0.05 -0.15 -0.04 3.06 2.80 2ci5A1 PHE 176 HD2 -0.02 -0.06 -0.17 -0.04 7.28 6.99 2ci5A1 PHE 176 HE2 -0.02 -0.04 -0.11 -0.04 7.38 7.17 2ci5A1 PHE 176 HZ -0.01 0.02 -0.04 -0.04 7.32 7.25 2ci5A1 CYS 177 H -0.18 0.18 -0.03 -0.55 8.50 7.92 2ci5A1 CYS 177 HA 0.01 0.24 0.39 -0.75 4.58 4.47 2ci5A1 CYS 177 HB2 -0.03 0.16 0.22 -0.04 2.97 3.27 2ci5A1 CYS 177 HB3 0.07 -0.02 -0.10 -0.04 2.97 2.88 2ci5A1 SER 178 H -0.00 0.58 0.37 -0.55 8.46 8.86 2ci5A1 SER 178 HA 0.01 0.01 0.42 -0.75 4.49 4.17 2ci5A1 SER 178 HB2 0.06 0.05 0.31 -0.04 3.95 4.33 2ci5A1 SER 178 HB3 0.02 0.09 0.21 -0.04 3.93 4.22 2ci5A1 MET 179 H 0.09 0.16 0.23 -0.55 8.47 8.39 2ci5A1 MET 179 HA 0.02 0.17 0.90 -0.75 4.52 4.85 2ci5A1 MET 179 HB2 0.26 -0.02 0.19 -0.04 2.15 2.54 2ci5A1 MET 179 HB3 0.21 0.10 0.08 -0.04 2.03 2.39 2ci5A1 MET 179 HG2 0.10 -0.10 0.04 -0.04 2.63 2.62 2ci5A1 MET 179 HG3 0.20 0.14 0.10 -0.04 2.56 2.95 2ci5A1 MET 179 HE3 -0.19 0.08 -0.05 -0.04 2.10 1.90 2ci5A1 ALA 180 H 0.01 0.65 0.31 -0.55 8.40 8.82 2ci5A1 ALA 180 HA 0.12 0.18 0.76 -0.75 4.34 4.65 2ci5A1 ALA 180 HB3 0.02 -0.02 -0.10 -0.04 1.41 1.27 2ci5A1 GLY 181 H -0.11 0.33 0.16 -0.55 8.43 8.25 2ci5A1 GLY 181 HA2 -1.22 0.17 0.33 -0.51 4.01 2.77 2ci5A1 GLY 181 HA3 -0.15 0.03 0.30 -0.51 4.01 3.69 2ci5A1 PRO 182 HA -0.01 0.14 0.40 -0.51 4.44 4.46 2ci5A1 PRO 182 HB2 0.02 -0.03 0.03 -0.04 2.28 2.26 2ci5A1 PRO 182 HB3 0.06 0.08 0.08 -0.04 2.02 2.20 2ci5A1 PRO 182 HG2 0.13 0.04 0.06 -0.04 2.03 2.23 2ci5A1 PRO 182 HG3 0.10 0.14 0.05 -0.04 2.03 2.28 2ci5A1 PRO 182 HD2 -0.03 0.07 0.14 -0.04 3.68 3.82 2ci5A1 PRO 182 HD3 -0.50 0.17 0.17 -0.04 3.65 3.45 2ci5A1 ASN 183 H -0.01 0.06 -0.30 -0.55 8.53 7.73 2ci5A1 ASN 183 HA 0.10 0.24 0.78 -0.75 4.76 5.13 2ci5A1 ASN 183 HB2 0.02 0.03 -0.10 -0.04 2.88 2.79 2ci5A1 ASN 183 HB3 0.03 -0.04 0.05 -0.04 2.79 2.80 2ci5A1 ASN 183 HD21 -0.09 0.33 0.18 -0.04 7.03 7.40 2ci5A1 ASN 183 HD22 -0.00 -0.06 0.08 -0.04 7.74 7.72 2ci5A1 LEU 184 H -0.02 0.49 -0.28 -0.55 8.37 8.01 2ci5A1 LEU 184 HA 0.04 0.32 0.92 -0.75 4.35 4.88 2ci5A1 LEU 184 HB2 0.03 -0.02 -0.30 -0.04 1.64 1.31 2ci5A1 LEU 184 HB3 -0.01 -0.09 -0.14 -0.04 1.64 1.36 2ci5A1 LEU 184 HG -0.01 -0.05 -0.49 -0.04 1.64 1.05 2ci5A1 LEU 184 HD13 0.00 0.04 -0.50 -0.04 0.93 0.44 2ci5A1 LEU 184 HD23 0.02 0.03 -0.28 -0.04 0.89 0.62 2ci5A1 ILE 185 H 0.01 0.69 0.22 -0.55 8.25 8.62 2ci5A1 ILE 185 HA -0.04 0.16 1.03 -0.75 4.18 4.58 2ci5A1 ILE 185 HB -0.06 0.01 0.10 -0.04 1.89 1.90 2ci5A1 ILE 185 HG12 -0.21 0.01 -0.14 -0.04 1.49 1.10 2ci5A1 ILE 185 HG13 -0.15 -0.03 -0.25 -0.04 1.21 0.73 2ci5A1 ILE 185 HG23 -0.09 0.01 -0.19 -0.04 0.93 0.62 2ci5A1 ILE 185 HD13 -0.50 -0.00 -0.12 -0.04 0.88 0.21 2ci5A1 ALA 186 H 0.00 0.64 0.36 -0.55 8.40 8.86 2ci5A1 ALA 186 HA -0.04 0.18 0.75 -0.75 4.34 4.49 2ci5A1 ALA 186 HB3 0.06 0.00 0.05 -0.04 1.41 1.48 2ci5A1 ILE 187 H -0.03 0.55 0.36 -0.55 8.25 8.59 2ci5A1 ILE 187 HA 0.06 0.26 0.99 -0.75 4.18 4.73 2ci5A1 ILE 187 HB -0.00 0.03 -0.27 -0.04 1.89 1.61 2ci5A1 ILE 187 HG12 -0.00 -0.06 -0.10 -0.04 1.49 1.29 2ci5A1 ILE 187 HG13 0.03 0.21 -0.11 -0.04 1.21 1.30 2ci5A1 ILE 187 HG23 -0.02 -0.01 -0.13 -0.04 0.93 0.73 2ci5A1 ILE 187 HD13 0.15 0.05 0.04 -0.04 0.88 1.08 2ci5A1 GLY 188 H 0.11 0.41 0.28 -0.55 8.43 8.68 2ci5A1 GLY 188 HA2 -0.01 0.21 0.48 -0.51 4.01 4.19 2ci5A1 GLY 188 HA3 0.02 -0.16 0.39 -0.51 4.01 3.76 2ci5A1 SER 189 H -0.03 0.05 0.11 -0.55 8.46 8.05 2ci5A1 SER 189 HA -0.04 0.28 0.85 -0.75 4.49 4.82 2ci5A1 SER 189 HB2 -0.03 -0.01 0.08 -0.04 3.95 3.95 2ci5A1 SER 189 HB3 -0.03 -0.02 0.08 -0.04 3.93 3.92 2ci5A1 SER 190 H -0.07 -0.03 0.01 -0.55 8.46 7.83 2ci5A1 SER 190 HA -0.05 0.15 0.43 -0.75 4.49 4.26 2ci5A1 SER 190 HB2 -0.08 0.02 0.19 -0.04 3.95 4.04 2ci5A1 SER 190 HB3 -0.07 0.04 0.19 -0.04 3.93 4.05 2ci5A1 GLU 191 H -0.06 0.16 0.20 -0.55 8.60 8.34 2ci5A1 GLU 191 HA -0.06 0.17 0.43 -0.75 4.29 4.07 2ci5A1 GLU 191 HB2 -0.04 0.06 0.16 -0.04 2.09 2.22 2ci5A1 GLU 191 HB3 -0.06 -0.06 0.15 -0.04 1.99 1.98 2ci5A1 GLU 191 HG2 -0.06 -0.01 -0.23 -0.04 2.34 2.01 2ci5A1 GLU 191 HG3 -0.04 0.05 0.04 -0.04 2.34 2.34 2ci5A1 SER 192 H -0.12 0.06 -0.12 -0.55 8.46 7.73 2ci5A1 SER 192 HA -0.14 0.11 0.39 -0.75 4.49 4.10 2ci5A1 SER 192 HB2 -0.23 0.10 -0.02 -0.04 3.95 3.76 2ci5A1 SER 192 HB3 -0.12 0.00 0.02 -0.04 3.93 3.79 2ci5A1 ALA 193 H -0.30 -0.02 -0.32 -0.55 8.40 7.21 2ci5A1 ALA 193 HA -1.03 0.09 0.37 -0.75 4.34 3.02 2ci5A1 ALA 193 HB3 -0.21 0.03 -0.05 -0.04 1.41 1.14 2ci5A1 GLN 194 H -0.14 0.53 -0.30 -0.55 8.47 8.02 2ci5A1 GLN 194 HA -0.06 0.07 0.42 -0.75 4.36 4.03 2ci5A1 GLN 194 HB2 -0.07 0.08 0.07 -0.04 2.15 2.19 2ci5A1 GLN 194 HB3 -0.05 -0.04 -0.01 -0.04 2.02 1.88 2ci5A1 GLN 194 HG2 -0.06 -0.00 -0.11 -0.04 2.40 2.18 2ci5A1 GLN 194 HG3 -0.05 0.01 -0.04 -0.04 2.39 2.27 2ci5A1 GLN 194 HE21 -0.03 -0.05 -0.08 -0.04 6.97 6.77 2ci5A1 GLN 194 HE22 -0.04 0.45 0.04 -0.04 7.69 8.10 2ci5A1 LYS 195 H -0.11 0.41 -0.23 -0.55 8.42 7.94 2ci5A1 LYS 195 HA -0.04 0.03 0.41 -0.75 4.32 3.96 2ci5A1 LYS 195 HB2 -0.09 0.07 0.18 -0.04 1.87 1.99 2ci5A1 LYS 195 HB3 -0.04 -0.02 -0.02 -0.04 1.79 1.66 2ci5A1 LYS 195 HG2 -0.04 -0.02 0.03 -0.04 1.46 1.39 2ci5A1 LYS 195 HG3 -0.06 0.11 0.05 -0.04 1.46 1.53 2ci5A1 LYS 195 HD2 -0.06 -0.06 -0.09 -0.04 1.69 1.44 2ci5A1 LYS 195 HD3 -0.03 -0.00 -0.03 -0.04 1.68 1.57 2ci5A1 LYS 195 HE2 -0.03 0.02 -0.02 -0.04 2.99 2.92 2ci5A1 LYS 195 HE3 -0.04 -0.02 -0.04 -0.04 2.99 2.85 2ci5A1 ALA 196 H -0.12 0.48 -0.16 -0.55 8.40 8.06 2ci5A1 ALA 196 HA 0.01 0.02 0.41 -0.75 4.34 4.02 2ci5A1 ALA 196 HB3 0.09 0.03 0.08 -0.04 1.41 1.57 2ci5A1 LEU 197 H -0.04 0.50 -0.22 -0.55 8.37 8.07 2ci5A1 LEU 197 HA -0.08 0.00 0.38 -0.75 4.35 3.90 2ci5A1 LEU 197 HB2 -0.02 0.02 0.07 -0.04 1.64 1.67 2ci5A1 LEU 197 HB3 -0.04 0.10 0.16 -0.04 1.64 1.82 2ci5A1 LEU 197 HG -0.04 -0.01 -0.33 -0.04 1.64 1.22 2ci5A1 LEU 197 HD13 -0.07 -0.01 -0.05 -0.04 0.93 0.76 2ci5A1 LEU 197 HD23 -0.03 -0.00 -0.08 -0.04 0.89 0.74 2ci5A1 LYS 198 H -0.04 0.59 -0.12 -0.55 8.42 8.30 2ci5A1 LYS 198 HA -0.02 0.01 0.37 -0.75 4.32 3.93 2ci5A1 LYS 198 HB2 -0.02 0.12 0.16 -0.04 1.87 2.08 2ci5A1 LYS 198 HB3 -0.01 -0.05 0.02 -0.04 1.79 1.71 2ci5A1 LYS 198 HG2 -0.02 -0.03 0.02 -0.04 1.46 1.39 2ci5A1 LYS 198 HG3 -0.03 0.16 0.07 -0.04 1.46 1.62 2ci5A1 LYS 198 HD2 -0.02 -0.02 -0.03 -0.04 1.69 1.57 2ci5A1 LYS 198 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.59 2ci5A1 LYS 198 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.85 2ci5A1 LYS 198 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.90 2ci5A1 ILE 199 H -0.03 0.43 -0.30 -0.55 8.25 7.80 2ci5A1 ILE 199 HA 0.01 0.01 0.46 -0.75 4.18 3.91 2ci5A1 ILE 199 HB -0.00 0.13 0.20 -0.04 1.89 2.18 2ci5A1 ILE 199 HG12 0.01 -0.05 0.04 -0.04 1.49 1.45 2ci5A1 ILE 199 HG13 -0.00 0.06 0.06 -0.04 1.21 1.29 2ci5A1 ILE 199 HG23 0.04 -0.02 -0.05 -0.04 0.93 0.86 2ci5A1 ILE 199 HD13 0.01 -0.03 -0.03 -0.04 0.88 0.78 2ci5A1 MET 200 H -0.11 0.54 -0.06 -0.55 8.47 8.30 2ci5A1 MET 200 HA -0.12 0.00 0.38 -0.75 4.52 4.03 2ci5A1 MET 200 HB2 -0.40 0.12 0.15 -0.04 2.15 1.97 2ci5A1 MET 200 HB3 -1.33 -0.05 -0.03 -0.04 2.03 0.58 2ci5A1 MET 200 HG2 -0.62 -0.05 -0.06 -0.04 2.63 1.86 2ci5A1 MET 200 HG3 -0.25 0.18 0.01 -0.04 2.56 2.46 2ci5A1 MET 200 HE3 -0.11 0.02 -0.21 -0.04 2.10 1.75 2ci5A1 GLN 201 H -0.06 0.54 -0.15 -0.55 8.47 8.25 2ci5A1 GLN 201 HA 0.12 0.06 0.43 -0.75 4.36 4.21 2ci5A1 GLN 201 HB2 0.01 0.05 0.04 -0.04 2.15 2.21 2ci5A1 GLN 201 HB3 0.04 -0.02 0.06 -0.04 2.02 2.06 2ci5A1 GLN 201 HG2 0.03 -0.06 -0.00 -0.04 2.40 2.32 2ci5A1 GLN 201 HG3 -0.04 0.36 0.07 -0.04 2.39 2.73 2ci5A1 GLN 201 HE21 -0.01 -0.06 -0.07 -0.04 6.97 6.79 2ci5A1 GLN 201 HE22 -0.01 0.03 -0.07 -0.04 7.69 7.60 2ci5A1 GLN 202 H 0.03 0.32 -0.34 -0.55 8.47 7.94 2ci5A1 GLN 202 HA 0.04 0.04 0.53 -0.75 4.36 4.22 2ci5A1 GLN 202 HB2 0.02 -0.10 0.09 -0.04 2.15 2.13 2ci5A1 GLN 202 HB3 0.03 0.15 0.26 -0.04 2.02 2.41 2ci5A1 GLN 202 HG2 0.05 0.03 -0.10 -0.04 2.40 2.33 2ci5A1 GLN 202 HG3 0.05 -0.01 -0.28 -0.04 2.39 2.10 2ci5A1 GLN 202 HE21 0.02 -0.07 -0.01 -0.04 6.97 6.86 2ci5A1 GLN 202 HE22 0.02 0.03 0.01 -0.04 7.69 7.71 2ci5A1 MET 203 H 0.11 0.52 -0.07 -0.55 8.47 8.48 2ci5A1 MET 203 HA 0.10 0.00 0.48 -0.75 4.52 4.35 2ci5A1 MET 203 HB2 0.29 0.09 0.09 -0.04 2.15 2.57 2ci5A1 MET 203 HB3 0.17 -0.12 0.07 -0.04 2.03 2.11 2ci5A1 MET 203 HG2 0.10 0.22 0.10 -0.04 2.63 3.01 2ci5A1 MET 203 HG3 0.14 -0.01 0.01 -0.04 2.56 2.66 2ci5A1 MET 203 HE3 0.05 -0.00 -0.06 -0.04 2.10 2.05 2ci5A1 SER 204 H 0.20 0.33 -0.36 -0.55 8.46 8.10 2ci5A1 SER 204 HA 0.15 0.09 0.94 -0.75 4.49 4.92 2ci5A1 SER 204 HB2 0.46 -0.04 -0.03 -0.04 3.95 4.30 2ci5A1 SER 204 HB3 0.41 0.17 0.10 -0.04 3.93 4.57 2ci5A1 ASP 205 H 0.10 0.10 0.14 -0.55 8.40 8.19 2ci5A1 ASP 205 HA 0.05 0.20 0.56 -0.75 4.63 4.68 2ci5A1 ASP 205 HB2 0.05 -0.03 0.11 -0.04 2.71 2.80 2ci5A1 ASP 205 HB3 0.03 -0.03 0.09 -0.04 2.70 2.75 2ci5A1 HIS 206 H 0.16 0.00 -0.33 -0.55 8.41 7.69 2ci5A1 HIS 206 HA -0.11 0.14 0.78 -0.75 4.63 4.70 2ci5A1 HIS 206 HB2 -0.13 -0.03 -0.03 -0.04 3.26 3.04 2ci5A1 HIS 206 HB3 -0.23 -0.03 -0.05 -0.04 3.20 2.85 2ci5A1 HIS 206 HD2 -2.11 -0.06 -0.38 -0.04 6.97 4.38 2ci5A1 HIS 206 HE1 -0.17 -0.02 0.00 -0.04 7.75 7.51 2ci5A1 ARG 207 H -0.79 0.13 0.10 -0.55 8.46 7.35 2ci5A1 ARG 207 HA -0.15 0.19 0.79 -0.75 4.34 4.42 2ci5A1 ARG 207 HB2 -0.18 0.02 0.03 -0.04 1.90 1.73 2ci5A1 ARG 207 HB3 -0.30 -0.05 0.15 -0.04 1.80 1.56 2ci5A1 ARG 207 HG2 -0.10 0.12 -0.27 -0.04 1.67 1.38 2ci5A1 ARG 207 HG3 -0.07 0.01 -0.02 -0.04 1.67 1.55 2ci5A1 ARG 207 HD2 -0.06 -0.02 -0.06 -0.04 3.22 3.04 2ci5A1 ARG 207 HD3 -0.09 -0.02 -0.02 -0.04 3.22 3.05 2ci5A1 TYR 208 H 0.12 0.19 0.12 -0.55 8.29 8.16 2ci5A1 TYR 208 HA -0.01 0.16 0.83 -0.75 4.56 4.78 2ci5A1 TYR 208 HB2 0.00 -0.04 -0.01 -0.04 3.06 2.97 2ci5A1 TYR 208 HB3 0.00 0.10 -0.05 -0.04 2.98 2.99 2ci5A1 TYR 208 HD2 0.06 0.04 -0.12 -0.04 7.15 7.09 2ci5A1 TYR 208 HE2 0.07 0.04 -0.09 -0.04 6.85 6.84 2ci5A1 ASP 209 H 0.10 0.64 0.35 -0.55 8.40 8.94 2ci5A1 ASP 209 HA 0.01 0.07 0.64 -0.75 4.63 4.59 2ci5A1 ASP 209 HB2 0.03 0.05 0.06 -0.04 2.71 2.81 2ci5A1 ASP 209 HB3 0.01 -0.02 0.05 -0.04 2.70 2.70 2ci5A1 LYS 210 H -0.00 0.18 0.18 -0.55 8.42 8.22 2ci5A1 LYS 210 HA -0.01 0.28 1.08 -0.75 4.32 4.92 2ci5A1 LYS 210 HB2 -0.02 -0.07 -0.00 -0.04 1.87 1.74 2ci5A1 LYS 210 HB3 -0.03 0.03 -0.07 -0.04 1.79 1.68 2ci5A1 LYS 210 HG2 -0.01 0.04 -0.15 -0.04 1.46 1.30 2ci5A1 LYS 210 HG3 0.01 0.02 -0.47 -0.04 1.46 0.98 2ci5A1 LYS 210 HD2 -0.01 -0.05 -0.06 -0.04 1.69 1.53 2ci5A1 LYS 210 HD3 -0.02 -0.02 -0.09 -0.04 1.68 1.51 2ci5A1 LYS 210 HE2 -0.00 0.02 -0.10 -0.04 2.99 2.87 2ci5A1 LYS 210 HE3 0.00 0.07 -0.06 -0.04 2.99 2.96 2ci5A1 LEU 211 H -0.04 0.71 0.14 -0.55 8.37 8.64 2ci5A1 LEU 211 HA -0.08 0.14 0.75 -0.75 4.35 4.41 2ci5A1 LEU 211 HB2 -0.08 -0.00 -0.18 -0.04 1.64 1.34 2ci5A1 LEU 211 HB3 -0.09 -0.06 0.06 -0.04 1.64 1.51 2ci5A1 LEU 211 HG -0.30 -0.00 -0.28 -0.04 1.64 1.02 2ci5A1 LEU 211 HD13 -0.15 0.02 -0.09 -0.04 0.93 0.66 2ci5A1 LEU 211 HD23 -0.32 -0.00 -0.15 -0.04 0.89 0.39 2ci5A1 THR 212 H -0.07 0.17 -0.01 -0.55 8.28 7.82 2ci5A1 THR 212 HA -0.06 0.30 0.84 -0.75 4.39 4.71 2ci5A1 THR 212 HB -0.05 -0.04 0.05 -0.04 4.32 4.23 2ci5A1 THR 212 HG23 -0.04 0.02 -0.25 -0.04 1.22 0.91 2ci5A1 VAL 213 H -0.06 0.63 0.27 -0.55 8.24 8.53 2ci5A1 VAL 213 HA -0.09 0.25 0.94 -0.75 4.13 4.48 2ci5A1 VAL 213 HB -0.04 -0.19 -0.03 -0.04 2.12 1.82 2ci5A1 VAL 213 HG13 -0.27 0.05 -0.24 -0.04 0.97 0.46 2ci5A1 VAL 213 HG23 -0.02 0.01 -0.35 -0.04 0.95 0.56 2ci5A1 PRO 214 HA -0.02 0.11 0.48 -0.51 4.44 4.50 2ci5A1 PRO 214 HB2 0.00 -0.01 -0.04 -0.04 2.28 2.20 2ci5A1 PRO 214 HB3 -0.01 0.10 0.03 -0.04 2.02 2.10 2ci5A1 PRO 214 HG2 0.02 -0.12 -0.12 -0.04 2.03 1.76 2ci5A1 PRO 214 HG3 0.01 0.10 -0.16 -0.04 2.03 1.94 2ci5A1 PRO 214 HD2 -0.03 0.08 0.13 -0.04 3.68 3.82 2ci5A1 PRO 214 HD3 -0.03 0.26 0.08 -0.04 3.65 3.92 2ci5A1 ASP 215 H -0.05 0.18 -0.23 -0.55 8.40 7.75 2ci5A1 ASP 215 HA -0.06 0.17 0.89 -0.75 4.63 4.87 2ci5A1 ASP 215 HB2 -0.34 -0.02 0.11 -0.04 2.71 2.42 2ci5A1 ASP 215 HB3 -0.49 0.01 0.03 -0.04 2.70 2.21 2ci5A1 ASP 216 H -0.05 0.20 0.13 -0.55 8.40 8.14 2ci5A1 ASP 216 HA 0.01 0.04 0.40 -0.75 4.63 4.32 2ci5A1 ASP 216 HB2 -0.00 -0.03 0.21 -0.04 2.71 2.85 2ci5A1 ASP 216 HB3 0.08 0.20 0.05 -0.04 2.70 2.99 2ci5A1 THR 217 H -0.10 0.04 -0.10 -0.55 8.28 7.56 2ci5A1 THR 217 HA -0.00 0.37 0.48 -0.75 4.39 4.48 2ci5A1 THR 217 HB 0.01 0.01 0.09 -0.04 4.32 4.39 2ci5A1 THR 217 HG23 0.02 0.02 0.08 -0.04 1.22 1.30 2ci5A1 ALA 218 H -0.27 0.30 -0.45 -0.55 8.40 7.44 2ci5A1 ALA 218 HA -0.03 0.09 0.55 -0.75 4.34 4.19 2ci5A1 ALA 218 HB3 -0.15 -0.00 0.03 -0.04 1.41 1.24 2ci5A1 ALA 219 H 0.00 0.44 -0.54 -0.55 8.40 7.75 2ci5A1 ALA 219 HA 0.12 0.08 0.32 -0.75 4.34 4.11 2ci5A1 ALA 219 HB3 0.05 0.00 -0.39 -0.04 1.41 1.03 2ci5A1 ASN 220 H 0.05 0.21 -0.65 -0.55 8.53 7.59 2ci5A1 ASN 220 HA 0.05 0.19 0.61 -0.75 4.76 4.85 2ci5A1 ASN 220 HB2 0.01 0.17 0.00 -0.04 2.88 3.02 2ci5A1 ASN 220 HB3 0.04 -0.01 0.17 -0.04 2.79 2.95 2ci5A1 ASN 220 HD21 0.03 -0.17 0.04 -0.04 7.03 6.88 2ci5A1 ASN 220 HD22 -0.00 0.64 0.18 -0.04 7.74 8.52 2ci5A1 CYS 221 H 0.08 0.30 0.09 -0.55 8.50 8.43 2ci5A1 CYS 221 HA 0.03 0.10 0.77 -0.75 4.58 4.73 2ci5A1 CYS 221 HB2 0.01 0.24 0.06 -0.04 2.97 3.23 2ci5A1 CYS 221 HB3 0.03 -0.05 -0.25 -0.04 2.97 2.66 2ci5A1 ILE 222 H 0.03 0.53 0.27 -0.55 8.25 8.53 2ci5A1 ILE 222 HA 0.06 0.17 1.03 -0.75 4.18 4.69 2ci5A1 ILE 222 HB -0.02 -0.07 0.10 -0.04 1.89 1.86 2ci5A1 ILE 222 HG12 0.06 0.06 -0.13 -0.04 1.49 1.44 2ci5A1 ILE 222 HG13 0.08 -0.17 -0.47 -0.04 1.21 0.61 2ci5A1 ILE 222 HG23 -0.06 0.02 -0.24 -0.04 0.93 0.60 2ci5A1 ILE 222 HD13 0.06 0.05 -0.20 -0.04 0.88 0.74 2ci5A1 TYR 223 H 0.12 0.19 0.17 -0.55 8.29 8.22 2ci5A1 TYR 223 HA 0.03 0.36 1.04 -0.75 4.56 5.23 2ci5A1 TYR 223 HB2 0.08 0.01 -0.15 -0.04 3.06 2.96 2ci5A1 TYR 223 HB3 0.02 -0.04 -0.00 -0.04 2.98 2.92 2ci5A1 TYR 223 HD2 -0.02 0.05 -0.17 -0.04 7.15 6.97 2ci5A1 TYR 223 HE2 -0.19 0.01 -0.18 -0.04 6.85 6.45 2ci5A1 LEU 224 H -0.51 0.62 0.30 -0.55 8.37 8.23 2ci5A1 LEU 224 HA -0.59 0.30 0.80 -0.75 4.35 4.10 2ci5A1 LEU 224 HB2 -0.22 -0.07 -0.07 -0.04 1.64 1.24 2ci5A1 LEU 224 HB3 -0.23 0.06 -0.08 -0.04 1.64 1.34 2ci5A1 LEU 224 HG -0.18 -0.07 -0.55 -0.04 1.64 0.79 2ci5A1 LEU 224 HD13 -0.14 -0.02 -0.17 -0.04 0.93 0.56 2ci5A1 LEU 224 HD23 -0.19 0.02 -0.02 -0.04 0.89 0.67 2ci5A1 ASN 225 H -0.39 0.66 0.04 -0.55 8.53 8.29 2ci5A1 ASN 225 HA -0.15 0.17 0.76 -0.75 4.76 4.78 2ci5A1 ASN 225 HB2 -0.21 0.04 -0.03 -0.04 2.88 2.64 2ci5A1 ASN 225 HB3 -0.13 -0.03 -0.03 -0.04 2.79 2.56 2ci5A1 ASN 225 HD21 0.14 -0.07 -0.05 -0.04 7.03 7.00 2ci5A1 ASN 225 HD22 0.06 0.14 -0.02 -0.04 7.74 7.88 2ci5A1 ILE 226 H -0.05 0.67 0.16 -0.55 8.25 8.48 2ci5A1 ILE 226 HA -0.06 0.26 1.06 -0.75 4.18 4.68 2ci5A1 ILE 226 HB -0.05 -0.08 0.06 -0.04 1.89 1.79 2ci5A1 ILE 226 HG12 -0.13 -0.15 -0.40 -0.04 1.49 0.77 2ci5A1 ILE 226 HG13 -0.09 -0.02 -0.09 -0.04 1.21 0.97 2ci5A1 ILE 226 HG23 -0.05 0.08 -0.06 -0.04 0.93 0.86 2ci5A1 ILE 226 HD13 -0.10 0.07 -0.04 -0.04 0.88 0.77 2ci5A1 PRO 227 HA 0.00 -0.05 0.46 -0.51 4.44 4.34 2ci5A1 PRO 227 HB2 -0.01 0.07 0.09 -0.04 2.28 2.39 2ci5A1 PRO 227 HB3 -0.00 -0.01 0.10 -0.04 2.02 2.06 2ci5A1 PRO 227 HG2 -0.01 0.05 0.10 -0.04 2.03 2.13 2ci5A1 PRO 227 HG3 -0.00 0.01 0.07 -0.04 2.03 2.06 2ci5A1 PRO 227 HD2 -0.03 0.19 0.27 -0.04 3.68 4.06 2ci5A1 PRO 227 HD3 -0.03 0.26 0.28 -0.04 3.65 4.12 2ci5A1 SER 228 H -0.00 0.09 0.18 -0.55 8.46 8.18 2ci5A1 SER 228 HA -0.01 -0.04 0.35 -0.75 4.49 4.05 2ci5A1 SER 228 HB2 -0.01 -0.06 0.14 -0.04 3.95 3.98 2ci5A1 SER 228 HB3 -0.01 -0.09 -0.21 -0.04 3.93 3.58 2ci5A1 LYS 229 H -0.00 0.33 -0.35 -0.55 8.42 7.84 2ci5A1 LYS 229 HA 0.00 0.15 0.87 -0.75 4.32 4.59 2ci5A1 LYS 229 HB2 -0.02 0.07 -0.05 -0.04 1.87 1.83 2ci5A1 LYS 229 HB3 -0.00 -0.05 -0.10 -0.04 1.79 1.59 2ci5A1 LYS 229 HG2 -0.01 -0.04 -0.01 -0.04 1.46 1.36 2ci5A1 LYS 229 HG3 -0.01 0.01 -0.40 -0.04 1.46 1.02 2ci5A1 LYS 229 HD2 -0.03 0.08 -0.09 -0.04 1.69 1.61 2ci5A1 LYS 229 HD3 -0.02 -0.09 -0.12 -0.04 1.68 1.40 2ci5A1 LYS 229 HE2 -0.03 0.23 -0.04 -0.04 2.99 3.11 2ci5A1 LYS 229 HE3 -0.02 -0.13 -0.04 -0.04 2.99 2.76 2ci5A1 GLY 230 H 0.01 0.65 0.26 -0.55 8.43 8.81 2ci5A1 GLY 230 HA2 0.07 -0.04 0.28 -0.51 4.01 3.82 2ci5A1 GLY 230 HA3 0.03 0.14 0.72 -0.51 4.01 4.38 2ci5A1 HIS 231 H 0.12 0.14 0.19 -0.55 8.41 8.31 2ci5A1 HIS 231 HA 0.03 0.16 0.74 -0.75 4.63 4.80 2ci5A1 HIS 231 HB2 -0.14 0.13 0.32 -0.04 3.26 3.53 2ci5A1 HIS 231 HB3 0.01 0.04 0.10 -0.04 3.20 3.31 2ci5A1 HIS 231 HD2 0.04 -0.14 -0.14 -0.04 6.97 6.70 2ci5A1 HIS 231 HE1 0.04 -0.04 0.03 -0.04 7.75 7.73 2ci5A1 VAL 232 H -0.07 0.95 0.54 -0.55 8.24 9.11 2ci5A1 VAL 232 HA 0.13 0.15 1.01 -0.75 4.13 4.66 2ci5A1 VAL 232 HB -0.09 -0.02 0.07 -0.04 2.12 2.04 2ci5A1 VAL 232 HG13 -0.01 -0.00 -0.19 -0.04 0.97 0.72 2ci5A1 VAL 232 HG23 -0.01 0.04 -0.23 -0.04 0.95 0.71 2ci5A1 LEU 233 H 0.13 0.65 0.24 -0.55 8.37 8.84 2ci5A1 LEU 233 HA 0.12 0.38 1.02 -0.75 4.35 5.13 2ci5A1 LEU 233 HB2 0.22 0.03 -0.29 -0.04 1.64 1.56 2ci5A1 LEU 233 HB3 0.14 -0.08 0.01 -0.04 1.64 1.67 2ci5A1 LEU 233 HG 0.06 -0.07 -0.30 -0.04 1.64 1.29 2ci5A1 LEU 233 HD13 0.18 0.08 -0.11 -0.04 0.93 1.03 2ci5A1 LEU 233 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.68 2ci5A1 LEU 234 H 0.01 0.59 0.28 -0.55 8.37 8.70 2ci5A1 LEU 234 HA -0.09 0.32 0.88 -0.75 4.35 4.70 2ci5A1 LEU 234 HB2 -0.03 -0.10 0.21 -0.04 1.64 1.68 2ci5A1 LEU 234 HB3 -0.05 -0.03 0.01 -0.04 1.64 1.53 2ci5A1 LEU 234 HG -0.09 0.04 -0.03 -0.04 1.64 1.52 2ci5A1 LEU 234 HD13 -0.08 -0.01 -0.17 -0.04 0.93 0.63 2ci5A1 LEU 234 HD23 -0.19 -0.02 -0.07 -0.04 0.89 0.57 2ci5A1 HIS 235 H -0.42 0.47 0.23 -0.55 8.41 8.14 2ci5A1 HIS 235 HA -0.26 0.16 0.86 -0.75 4.63 4.64 2ci5A1 HIS 235 HB2 -1.32 -0.02 0.01 -0.04 3.26 1.90 2ci5A1 HIS 235 HB3 -0.76 0.05 -0.31 -0.04 3.20 2.14 2ci5A1 HIS 235 HD2 -0.10 0.12 -0.14 -0.04 6.97 6.80 2ci5A1 HIS 235 HE1 0.01 -0.08 -0.11 -0.04 7.75 7.52 2ci5A1 ARG 236 H -0.04 0.20 0.13 -0.55 8.46 8.21 2ci5A1 ARG 236 HA 0.02 0.18 0.50 -0.75 4.34 4.29 2ci5A1 ARG 236 HB2 0.22 0.01 0.06 -0.04 1.90 2.15 2ci5A1 ARG 236 HB3 0.26 -0.14 0.06 -0.04 1.80 1.94 2ci5A1 ARG 236 HG2 0.07 0.17 0.13 -0.04 1.67 1.99 2ci5A1 ARG 236 HG3 0.16 -0.02 0.00 -0.04 1.67 1.77 2ci5A1 ARG 236 HD2 0.06 0.19 -0.03 -0.04 3.22 3.40 2ci5A1 ARG 236 HD3 0.09 0.00 -0.01 -0.04 3.22 3.26 2ci5A1 THR 237 H 0.05 0.01 0.08 -0.55 8.28 7.87 2ci5A1 THR 237 HA 0.07 0.33 0.46 -0.75 4.39 4.50 2ci5A1 THR 237 HB 0.01 0.09 0.09 -0.04 4.32 4.47 2ci5A1 THR 237 HG23 -0.03 0.04 -0.24 -0.04 1.22 0.95 2ci5A1 PRO 238 HA 0.09 0.09 0.26 -0.51 4.44 4.36 2ci5A1 PRO 238 HB2 0.04 0.02 -0.00 -0.04 2.28 2.30 2ci5A1 PRO 238 HB3 0.06 0.08 0.05 -0.04 2.02 2.17 2ci5A1 PRO 238 HG2 0.07 0.10 0.04 -0.04 2.03 2.20 2ci5A1 PRO 238 HG3 0.11 0.11 0.02 -0.04 2.03 2.23 2ci5A1 PRO 238 HD2 0.05 0.07 0.18 -0.04 3.68 3.94 2ci5A1 PRO 238 HD3 0.11 0.24 0.17 -0.04 3.65 4.13 2ci5A1 GLU 239 H 0.02 0.08 -0.26 -0.55 8.60 7.89 2ci5A1 GLU 239 HA -0.01 0.14 0.37 -0.75 4.29 4.05 2ci5A1 GLU 239 HB2 -0.01 -0.10 0.02 -0.04 2.09 1.96 2ci5A1 GLU 239 HB3 -0.02 0.03 -0.05 -0.04 1.99 1.91 2ci5A1 GLU 239 HG2 -0.01 0.02 -0.00 -0.04 2.34 2.31 2ci5A1 GLU 239 HG3 -0.00 0.06 -0.00 -0.04 2.34 2.35 2ci5A1 GLU 240 H -0.02 0.00 -0.33 -0.55 8.60 7.70 2ci5A1 GLU 240 HA -0.22 0.12 0.58 -0.75 4.29 4.02 2ci5A1 GLU 240 HB2 -0.03 0.05 0.06 -0.04 2.09 2.13 2ci5A1 GLU 240 HB3 -0.38 0.02 -0.02 -0.04 1.99 1.56 2ci5A1 GLU 240 HG2 -0.09 0.02 0.03 -0.04 2.34 2.27 2ci5A1 GLU 240 HG3 -0.04 -0.04 0.02 -0.04 2.34 2.24 2ci5A1 TYR 241 H 0.07 0.62 -0.15 -0.55 8.29 8.29 2ci5A1 TYR 241 HA 0.04 0.20 0.71 -0.75 4.56 4.76 2ci5A1 TYR 241 HB2 0.08 0.05 0.05 -0.04 3.06 3.20 2ci5A1 TYR 241 HB3 0.06 -0.18 0.09 -0.04 2.98 2.91 2ci5A1 TYR 241 HD2 0.05 -0.02 -0.05 -0.04 7.15 7.09 2ci5A1 TYR 241 HE2 0.03 0.01 -0.07 -0.04 6.85 6.78 2ci5A1 PRO 242 HA 0.08 0.03 0.46 -0.51 4.44 4.50 2ci5A1 PRO 242 HB2 0.05 -0.04 0.06 -0.04 2.28 2.31 2ci5A1 PRO 242 HB3 0.04 0.04 0.09 -0.04 2.02 2.14 2ci5A1 PRO 242 HG2 0.02 0.00 0.05 -0.04 2.03 2.06 2ci5A1 PRO 242 HG3 0.02 0.33 0.11 -0.04 2.03 2.46 2ci5A1 PRO 242 HD2 0.07 0.01 0.08 -0.04 3.68 3.79 2ci5A1 PRO 242 HD3 -0.00 0.24 -0.35 -0.04 3.65 3.50 2ci5A1 GLU 243 H 0.10 0.12 -0.16 -0.55 8.60 8.12 2ci5A1 GLU 243 HA 0.04 0.15 0.42 -0.75 4.29 4.15 2ci5A1 GLU 243 HB2 0.06 -0.06 0.01 -0.04 2.09 2.06 2ci5A1 GLU 243 HB3 0.03 0.06 0.04 -0.04 1.99 2.09 2ci5A1 GLU 243 HG2 0.06 -0.03 0.04 -0.04 2.34 2.37 2ci5A1 GLU 243 HG3 0.04 0.04 0.01 -0.04 2.34 2.39 2ci5A1 SER 244 H 0.13 0.11 -0.22 -0.55 8.46 7.94 2ci5A1 SER 244 HA 0.02 0.12 0.61 -0.75 4.49 4.48 2ci5A1 SER 244 HB2 0.17 0.08 0.08 -0.04 3.95 4.23 2ci5A1 SER 244 HB3 0.15 0.12 -0.03 -0.04 3.93 4.13 2ci5A1 ALA 245 H 0.16 0.55 -0.11 -0.55 8.40 8.46 2ci5A1 ALA 245 HA 0.22 0.09 0.30 -0.75 4.34 4.19 2ci5A1 ALA 245 HB3 0.15 0.03 -0.11 -0.04 1.41 1.44 2ci5A1 LYS 246 H 0.06 0.32 -0.39 -0.55 8.42 7.86 2ci5A1 LYS 246 HA 0.03 0.02 0.32 -0.75 4.32 3.94 2ci5A1 LYS 246 HB2 0.02 0.15 0.08 -0.04 1.87 2.07 2ci5A1 LYS 246 HB3 0.01 -0.02 -0.01 -0.04 1.79 1.73 2ci5A1 LYS 246 HG2 0.03 -0.04 0.02 -0.04 1.46 1.43 2ci5A1 LYS 246 HG3 0.04 0.29 0.11 -0.04 1.46 1.86 2ci5A1 LYS 246 HD2 0.02 -0.01 0.01 -0.04 1.69 1.67 2ci5A1 LYS 246 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 2ci5A1 LYS 246 HE2 0.02 -0.01 -0.04 -0.04 2.99 2.93 2ci5A1 LYS 246 HE3 0.03 -0.02 -0.17 -0.04 2.99 2.79 2ci5A1 VAL 247 H -0.02 0.23 -0.35 -0.55 8.24 7.55 2ci5A1 VAL 247 HA -0.08 0.04 0.45 -0.75 4.13 3.78 2ci5A1 VAL 247 HB -0.26 0.11 0.12 -0.04 2.12 2.05 2ci5A1 VAL 247 HG13 -0.24 0.02 -0.16 -0.04 0.97 0.54 2ci5A1 VAL 247 HG23 -0.08 0.03 0.14 -0.04 0.95 1.00 2ci5A1 TYR 248 H -0.06 0.36 -0.11 -0.55 8.29 7.93 2ci5A1 TYR 248 HA -0.16 0.04 0.35 -0.75 4.56 4.03 2ci5A1 TYR 248 HB2 -0.52 0.06 0.08 -0.04 3.06 2.64 2ci5A1 TYR 248 HB3 -0.73 -0.00 -0.08 -0.04 2.98 2.12 2ci5A1 TYR 248 HD2 -0.14 0.04 -0.13 -0.04 7.15 6.87 2ci5A1 TYR 248 HE2 -0.02 0.00 -0.12 -0.04 6.85 6.67 2ci5A1 GLU 249 H 0.01 0.53 -0.23 -0.55 8.60 8.36 2ci5A1 GLU 249 HA 0.03 0.06 0.33 -0.75 4.29 3.95 2ci5A1 GLU 249 HB2 0.03 0.06 0.05 -0.04 2.09 2.18 2ci5A1 GLU 249 HB3 0.04 -0.05 0.03 -0.04 1.99 1.97 2ci5A1 GLU 249 HG2 0.09 -0.05 -0.03 -0.04 2.34 2.32 2ci5A1 GLU 249 HG3 0.05 0.32 0.05 -0.04 2.34 2.71 2ci5A1 LYS 250 H -0.01 0.35 -0.48 -0.55 8.42 7.72 2ci5A1 LYS 250 HA 0.01 0.03 0.44 -0.75 4.32 4.05 2ci5A1 LYS 250 HB2 -0.02 0.18 0.09 -0.04 1.87 2.07 2ci5A1 LYS 250 HB3 -0.00 -0.10 0.07 -0.04 1.79 1.72 2ci5A1 LYS 250 HG2 0.00 -0.07 0.02 -0.04 1.46 1.37 2ci5A1 LYS 250 HG3 -0.01 0.27 0.09 -0.04 1.46 1.77 2ci5A1 LYS 250 HD2 -0.03 0.02 0.03 -0.04 1.69 1.67 2ci5A1 LYS 250 HD3 -0.01 -0.05 0.02 -0.04 1.68 1.60 2ci5A1 LYS 250 HE2 -0.00 -0.04 -0.01 -0.04 2.99 2.90 2ci5A1 LYS 250 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.91 2ci5A1 LEU 251 H 0.01 0.45 -0.40 -0.55 8.37 7.89 2ci5A1 LEU 251 HA 0.06 -0.05 0.49 -0.75 4.35 4.09 2ci5A1 LEU 251 HB2 0.06 0.18 0.19 -0.04 1.64 2.03 2ci5A1 LEU 251 HB3 0.15 -0.13 -0.01 -0.04 1.64 1.62 2ci5A1 LEU 251 HG -0.04 0.14 0.08 -0.04 1.64 1.78 2ci5A1 LEU 251 HD13 -0.13 -0.02 -0.05 -0.04 0.93 0.69 2ci5A1 LEU 251 HD23 0.00 -0.03 -0.09 -0.04 0.89 0.73 2ci5A1 LYS 252 H 0.06 0.22 0.30 -0.55 8.42 8.44 2ci5A1 LYS 252 HA 0.06 0.19 0.59 -0.75 4.32 4.41 2ci5A1 LYS 252 HB2 0.03 -0.04 0.12 -0.04 1.87 1.94 2ci5A1 LYS 252 HB3 0.03 -0.03 0.16 -0.04 1.79 1.91 2ci5A1 LYS 252 HG2 0.03 0.20 0.05 -0.04 1.46 1.70 2ci5A1 LYS 252 HG3 0.02 -0.07 0.06 -0.04 1.46 1.43 2ci5A1 LYS 252 HD2 0.03 -0.05 0.05 -0.04 1.69 1.68 2ci5A1 LYS 252 HD3 0.04 0.11 -0.12 -0.04 1.68 1.67 2ci5A1 LYS 252 HE2 0.03 0.07 -0.02 -0.04 2.99 3.03 2ci5A1 LYS 252 HE3 0.02 -0.07 0.01 -0.04 2.99 2.91 2ci5A1 ASP 253 H 0.13 0.01 -0.29 -0.55 8.40 7.71 2ci5A1 ASP 253 HA 0.00 0.21 0.82 -0.75 4.63 4.91 2ci5A1 ASP 253 HB2 -0.05 0.00 0.15 -0.04 2.71 2.77 2ci5A1 ASP 253 HB3 0.03 -0.04 0.02 -0.04 2.70 2.66 2ci5A1 HIS 254 H 0.20 0.32 -0.35 -0.55 8.41 8.03 2ci5A1 HIS 254 HA 0.15 0.28 0.81 -0.75 4.63 5.11 2ci5A1 HIS 254 HB2 0.13 -0.02 -0.14 -0.04 3.26 3.20 2ci5A1 HIS 254 HB3 0.16 0.03 -0.25 -0.04 3.20 3.10 2ci5A1 HIS 254 HD2 0.34 0.03 -0.31 -0.04 6.97 6.98 2ci5A1 HIS 254 HE1 0.07 -0.12 -0.13 -0.04 7.75 7.53 2ci5A1 MET 255 H 0.17 0.79 0.34 -0.55 8.47 9.22 2ci5A1 MET 255 HA 0.09 0.07 0.71 -0.75 4.52 4.63 2ci5A1 MET 255 HB2 0.05 0.10 0.05 -0.04 2.15 2.30 2ci5A1 MET 255 HB3 0.07 -0.06 0.12 -0.04 2.03 2.11 2ci5A1 MET 255 HG2 0.04 0.00 -0.32 -0.04 2.63 2.31 2ci5A1 MET 255 HG3 0.04 -0.01 0.01 -0.04 2.56 2.55 2ci5A1 MET 255 HE3 0.01 0.02 0.02 -0.04 2.10 2.11 2ci5A1 LEU 256 H 0.11 0.18 0.12 -0.55 8.37 8.23 2ci5A1 LEU 256 HA 0.17 0.19 0.70 -0.75 4.35 4.65 2ci5A1 LEU 256 HB2 0.15 -0.05 0.08 -0.04 1.64 1.78 2ci5A1 LEU 256 HB3 0.36 -0.07 -0.07 -0.04 1.64 1.81 2ci5A1 LEU 256 HG 0.14 0.17 -0.03 -0.04 1.64 1.88 2ci5A1 LEU 256 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.89 2ci5A1 LEU 256 HD23 0.12 -0.02 -0.14 -0.04 0.89 0.81 2ci5A1 ILE 257 H 0.03 0.64 0.26 -0.55 8.25 8.63 2ci5A1 ILE 257 HA -0.05 0.20 0.89 -0.75 4.18 4.47 2ci5A1 ILE 257 HB -0.07 -0.07 0.07 -0.04 1.89 1.79 2ci5A1 ILE 257 HG12 -0.01 0.08 -0.26 -0.04 1.49 1.25 2ci5A1 ILE 257 HG13 0.01 0.05 -0.54 -0.04 1.21 0.68 2ci5A1 ILE 257 HG23 -0.07 -0.01 -0.15 -0.04 0.93 0.65 2ci5A1 ILE 257 HD13 -0.04 -0.01 -0.17 -0.04 0.88 0.62 2ci5A1 PRO 258 HA -0.66 0.32 0.58 -0.51 4.44 4.16 2ci5A1 PRO 258 HB2 -0.11 -0.14 -0.03 -0.04 2.28 1.96 2ci5A1 PRO 258 HB3 -0.19 0.05 -0.01 -0.04 2.02 1.84 2ci5A1 PRO 258 HG2 -0.07 -0.01 0.14 -0.04 2.03 2.05 2ci5A1 PRO 258 HG3 -0.02 0.03 0.05 -0.04 2.03 2.05 2ci5A1 PRO 258 HD2 -0.06 0.16 0.17 -0.04 3.68 3.91 2ci5A1 PRO 258 HD3 -0.04 0.16 -0.09 -0.04 3.65 3.64 2ci5A1 VAL 259 H -0.19 0.70 0.28 -0.55 8.24 8.49 2ci5A1 VAL 259 HA -0.04 0.13 0.92 -0.75 4.13 4.38 2ci5A1 VAL 259 HB 0.00 -0.03 0.01 -0.04 2.12 2.07 2ci5A1 VAL 259 HG13 0.12 0.02 -0.14 -0.04 0.97 0.93 2ci5A1 VAL 259 HG23 -0.06 0.07 -0.23 -0.04 0.95 0.68 2ci5A1 SER 260 H -0.01 0.17 0.11 -0.55 8.46 8.19 2ci5A1 SER 260 HA 0.01 -0.06 0.53 -0.75 4.49 4.21 2ci5A1 SER 260 HB2 -0.00 0.07 0.09 -0.04 3.95 4.06 2ci5A1 SER 260 HB3 -0.00 -0.14 0.08 -0.04 3.93 3.83 2ci5A1 ASN 261 H 0.03 0.01 0.21 -0.55 8.53 8.23 2ci5A1 ASN 261 HA 0.01 0.14 0.54 -0.75 4.76 4.71 2ci5A1 ASN 261 HB2 0.04 0.19 -0.36 -0.04 2.88 2.71 2ci5A1 ASN 261 HB3 0.06 -0.00 -0.04 -0.04 2.79 2.77 2ci5A1 ASN 261 HD21 -0.04 0.04 -0.16 -0.04 7.03 6.82 2ci5A1 ASN 261 HD22 -0.06 0.12 -0.05 -0.04 7.74 7.72 2ci5A1 SER 262 H 0.01 0.06 0.13 -0.55 8.46 8.12 2ci5A1 SER 262 HA 0.03 0.14 0.36 -0.75 4.49 4.26 2ci5A1 SER 262 HB2 -0.02 0.11 0.02 -0.04 3.95 4.02 2ci5A1 SER 262 HB3 -0.03 -0.01 0.13 -0.04 3.93 3.98 2ci5A1 GLU 263 H 0.01 0.07 -0.18 -0.55 8.60 7.96 2ci5A1 GLU 263 HA 0.03 0.14 0.45 -0.75 4.29 4.15 2ci5A1 GLU 263 HB2 -0.00 0.00 0.03 -0.04 2.09 2.07 2ci5A1 GLU 263 HB3 0.02 0.03 -0.03 -0.04 1.99 1.96 2ci5A1 GLU 263 HG2 -0.01 -0.03 -0.06 -0.04 2.34 2.20 2ci5A1 GLU 263 HG3 -0.01 -0.00 -0.10 -0.04 2.34 2.18 2ci5A1 LEU 264 H 0.04 0.10 -0.19 -0.55 8.37 7.77 2ci5A1 LEU 264 HA 0.15 0.09 0.41 -0.75 4.35 4.24 2ci5A1 LEU 264 HB2 0.10 0.09 0.01 -0.04 1.64 1.80 2ci5A1 LEU 264 HB3 0.33 0.01 -0.01 -0.04 1.64 1.93 2ci5A1 LEU 264 HG 0.01 -0.11 -0.02 -0.04 1.64 1.49 2ci5A1 LEU 264 HD13 -0.03 0.02 -0.07 -0.04 0.93 0.82 2ci5A1 LEU 264 HD23 0.05 0.00 -0.07 -0.04 0.89 0.83 2ci5A1 GLU 265 H 0.06 0.31 -0.35 -0.55 8.60 8.07 2ci5A1 GLU 265 HA 0.03 0.14 0.39 -0.75 4.29 4.09 2ci5A1 GLU 265 HB2 0.08 0.05 0.05 -0.04 2.09 2.23 2ci5A1 GLU 265 HB3 0.07 0.06 0.05 -0.04 1.99 2.12 2ci5A1 GLU 265 HG2 0.07 -0.02 -0.06 -0.04 2.34 2.28 2ci5A1 GLU 265 HG3 0.05 -0.02 0.00 -0.04 2.34 2.33 2ci5A1 LYS 266 H 0.05 0.38 -0.44 -0.55 8.42 7.85 2ci5A1 LYS 266 HA 0.03 -0.02 0.42 -0.75 4.32 3.99 2ci5A1 LYS 266 HB2 0.05 0.17 0.09 -0.04 1.87 2.14 2ci5A1 LYS 266 HB3 0.03 0.07 0.04 -0.04 1.79 1.89 2ci5A1 LYS 266 HG2 0.02 -0.08 0.00 -0.04 1.46 1.37 2ci5A1 LYS 266 HG3 0.03 0.16 0.11 -0.04 1.46 1.72 2ci5A1 LYS 266 HD2 0.03 -0.13 -0.03 -0.04 1.69 1.52 2ci5A1 LYS 266 HD3 0.03 0.20 -0.39 -0.04 1.68 1.48 2ci5A1 LYS 266 HE2 0.01 -0.05 -0.10 -0.04 2.99 2.82 2ci5A1 LYS 266 HE3 0.01 -0.06 -0.14 -0.04 2.99 2.76 2ci5A1 VAL 267 H 0.06 0.36 -0.51 -0.55 8.24 7.60 2ci5A1 VAL 267 HA 0.02 0.22 0.94 -0.75 4.13 4.56 2ci5A1 VAL 267 HB 0.10 0.12 0.15 -0.04 2.12 2.45 2ci5A1 VAL 267 HG13 0.08 0.01 -0.17 -0.04 0.97 0.85 2ci5A1 VAL 267 HG23 0.26 -0.04 0.04 -0.04 0.95 1.16 2ci5A1 ASP 268 H -0.02 0.54 -0.37 -0.55 8.40 8.00 2ci5A1 ASP 268 HA -0.06 0.05 0.31 -0.75 4.63 4.18 2ci5A1 ASP 268 HB2 -0.17 0.28 0.04 -0.04 2.71 2.82 2ci5A1 ASP 268 HB3 -0.14 -0.15 0.20 -0.04 2.70 2.57 2ci5A1 GLY 269 H -0.13 0.49 -0.25 -0.55 8.43 8.00 2ci5A1 GLY 269 HA2 -0.45 0.05 0.72 -0.51 4.01 3.83 2ci5A1 GLY 269 HA3 -0.39 0.01 0.17 -0.51 4.01 3.30 2ci5A1 LEU 270 H -0.03 0.08 0.08 -0.55 8.37 7.96 2ci5A1 LEU 270 HA 0.04 0.19 0.72 -0.75 4.35 4.55 2ci5A1 LEU 270 HB2 0.03 -0.02 0.05 -0.04 1.64 1.65 2ci5A1 LEU 270 HB3 0.04 0.04 0.18 -0.04 1.64 1.85 2ci5A1 LEU 270 HG -0.01 0.01 -0.20 -0.04 1.64 1.40 2ci5A1 LEU 270 HD13 0.01 0.07 0.12 -0.04 0.93 1.09 2ci5A1 LEU 270 HD23 0.04 0.04 -0.15 -0.04 0.89 0.78 2ci5A1 LEU 271 H 0.07 0.26 0.04 -0.55 8.37 8.19 2ci5A1 LEU 271 HA 0.10 0.07 0.25 -0.75 4.35 4.01 2ci5A1 LEU 271 HB2 0.09 0.07 -0.15 -0.04 1.64 1.61 2ci5A1 LEU 271 HB3 0.16 0.05 -0.18 -0.04 1.64 1.63 2ci5A1 LEU 271 HG 0.07 -0.08 -0.02 -0.04 1.64 1.57 2ci5A1 LEU 271 HD13 0.02 0.07 -0.16 -0.04 0.93 0.83 2ci5A1 LEU 271 HD23 0.15 0.02 -0.16 -0.04 0.89 0.86 2ci5A1 THR 272 H 0.08 0.12 -0.18 -0.55 8.28 7.76 2ci5A1 THR 272 HA 0.13 0.14 0.29 -0.75 4.39 4.20 2ci5A1 THR 272 HB 0.06 0.07 0.10 -0.04 4.32 4.51 2ci5A1 THR 272 HG23 0.06 -0.02 0.06 -0.04 1.22 1.28 2ci5A1 CYS 273 H 0.09 0.09 -0.52 -0.55 8.50 7.61 2ci5A1 CYS 273 HA 0.10 0.03 0.33 -0.75 4.58 4.28 2ci5A1 CYS 273 HB2 0.16 0.16 0.02 -0.04 2.97 3.27 2ci5A1 CYS 273 HB3 0.10 -0.04 0.06 -0.04 2.97 3.06 2ci5A1 SER 274 H 0.11 0.34 -0.32 -0.55 8.46 8.05 2ci5A1 SER 274 HA 0.11 0.17 0.73 -0.75 4.49 4.74 2ci5A1 SER 274 HB2 -0.57 0.10 0.04 -0.04 3.95 3.48 2ci5A1 SER 274 HB3 -0.19 -0.02 0.18 -0.04 3.93 3.87 2ci5A1 SER 275 H 0.16 0.42 -0.32 -0.55 8.46 8.18 2ci5A1 SER 275 HA 0.13 0.29 0.70 -0.75 4.49 4.86 2ci5A1 SER 275 HB2 0.08 -0.02 -0.05 -0.04 3.95 3.91 2ci5A1 SER 275 HB3 0.27 0.04 -0.25 -0.04 3.93 3.96 2ci5A1 VAL 276 H 0.06 0.47 0.23 -0.55 8.24 8.46 2ci5A1 VAL 276 HA 0.04 0.17 0.80 -0.75 4.13 4.38 2ci5A1 VAL 276 HB 0.04 -0.08 0.11 -0.04 2.12 2.15 2ci5A1 VAL 276 HG13 0.02 0.01 -0.21 -0.04 0.97 0.75 2ci5A1 VAL 276 HG23 0.05 -0.00 -0.26 -0.04 0.95 0.69 2ci5A1 LEU 277 H 0.01 0.18 0.12 -0.55 8.37 8.15 2ci5A1 LEU 277 HA 0.00 0.19 0.89 -0.75 4.35 4.68 2ci5A1 LEU 277 HB2 -0.02 -0.01 0.11 -0.04 1.64 1.67 2ci5A1 LEU 277 HB3 -0.04 0.07 -0.02 -0.04 1.64 1.61 2ci5A1 LEU 277 HG -0.01 -0.12 -0.20 -0.04 1.64 1.27 2ci5A1 LEU 277 HD13 -0.05 0.01 -0.05 -0.04 0.93 0.80 2ci5A1 LEU 277 HD23 -0.06 0.02 -0.10 -0.04 0.89 0.71 2ci5A1 ILE 278 H 0.02 0.70 0.37 -0.55 8.25 8.80 2ci5A1 ILE 278 HA 0.00 0.21 0.92 -0.75 4.18 4.56 2ci5A1 ILE 278 HB 0.03 -0.09 -0.01 -0.04 1.89 1.78 2ci5A1 ILE 278 HG12 -0.01 0.03 -0.21 -0.04 1.49 1.26 2ci5A1 ILE 278 HG13 0.01 0.11 -0.51 -0.04 1.21 0.77 2ci5A1 ILE 278 HG23 -0.04 0.02 -0.23 -0.04 0.93 0.64 2ci5A1 ILE 278 HD13 0.03 -0.00 -0.27 -0.04 0.88 0.59 2ci5A1 ASN 279 H 0.00 0.32 0.09 -0.55 8.53 8.40 2ci5A1 ASN 279 HA 0.03 -0.09 0.92 -0.75 4.76 4.87 2ci5A1 ASN 279 HB2 -0.01 0.27 -0.00 -0.04 2.88 3.11 2ci5A1 ASN 279 HB3 0.02 0.00 0.17 -0.04 2.79 2.94 2ci5A1 ASN 279 HD21 0.02 -0.01 -0.09 -0.04 7.03 6.91 2ci5A1 ASN 279 HD22 0.03 -0.01 -0.03 -0.04 7.74 7.68 2ci5A1 LYS 280 H 0.09 0.07 -0.03 -0.55 8.42 8.00 2ci5A1 LYS 280 HA -0.00 0.27 0.61 -0.75 4.32 4.44 2ci5A1 LYS 280 HB2 0.10 -0.03 0.04 -0.04 1.87 1.94 2ci5A1 LYS 280 HB3 -0.00 0.04 0.04 -0.04 1.79 1.83 2ci5A1 LYS 280 HG2 -0.18 -0.12 -0.21 -0.04 1.46 0.92 2ci5A1 LYS 280 HG3 -0.38 0.05 -0.04 -0.04 1.46 1.05 2ci5A1 LYS 280 HD2 -0.05 0.01 -0.13 -0.04 1.69 1.48 2ci5A1 LYS 280 HD3 -0.12 0.15 -0.08 -0.04 1.68 1.59 2ci5A1 LYS 280 HE2 -0.03 -0.10 0.02 -0.04 2.99 2.84 2ci5A1 LYS 280 HE3 -0.04 0.05 -0.01 -0.04 2.99 2.95