============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 14 1.000 19.523 11.028 60.308 -99.200 -91.000 TYR 31 0.840 -0.587 16.508 49.347 -99.200 -91.000 PHE 36 1.000 -7.184 20.191 62.595 -99.200 -91.000 PHE 44 1.000 -16.685 29.110 60.078 -99.200 -91.000 PHE 46 1.000 -9.149 24.917 62.280 -99.200 -91.000 TYR 64 0.840 8.205 16.883 51.579 -99.200 -91.000 HIS 80 0.900 -18.747 19.704 47.280 -99.200 -91.000 PHE 88 1.000 -4.997 31.423 57.717 -99.200 -91.000 HIS 92 0.900 -9.744 37.645 70.280 -99.200 -91.000 TYR 101 0.840 6.482 15.626 63.516 -99.200 -91.000 TRP 105 1.040 6.288 7.847 51.296 -99.200 -91.000 TRP6 105 1.020 5.109 6.001 50.414 -99.200 -91.000 TRP 109 1.040 8.312 7.496 41.500 -99.200 -91.000 TRP6 109 1.020 9.512 8.802 43.054 -99.200 -91.000 HIS 112 0.900 0.134 6.853 48.013 -99.200 -91.000 PHE 113 1.000 -2.538 13.312 48.724 -99.200 -91.000 HIS 121 0.900 -0.773 22.569 72.772 -99.200 -91.000 HIS 122 0.900 -7.126 26.296 71.158 -99.200 -91.000 HIS 123 0.900 -0.554 27.458 75.541 -99.200 -91.000 HIS 124 0.900 -4.503 23.994 78.459 -99.200 -91.000 HIS 125 0.900 -8.040 30.855 73.802 -99.200 -91.000 HIS 126 0.900 -5.427 27.485 81.610 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ch9A1 THR 25 HA -0.01 -0.05 0.16 -0.75 4.39 3.74 2ch9A1 THR 25 HB -0.01 0.01 0.13 -0.04 4.32 4.41 2ch9A1 THR 25 HG23 -0.01 -0.01 -0.01 -0.04 1.22 1.15 2ch9A1 CYS 26 H -0.01 0.17 0.01 -0.55 8.50 8.12 2ch9A1 CYS 26 HA -0.01 0.15 0.64 -0.75 4.58 4.62 2ch9A1 CYS 26 HB2 -0.01 0.01 0.17 -0.04 2.97 3.10 2ch9A1 CYS 26 HB3 -0.01 -0.03 0.22 -0.04 2.97 3.11 2ch9A1 SER 27 H -0.01 0.36 -0.54 -0.55 8.46 7.72 2ch9A1 SER 27 HA -0.01 0.14 0.56 -0.75 4.49 4.42 2ch9A1 SER 27 HB2 -0.02 0.03 0.08 -0.04 3.95 4.00 2ch9A1 SER 27 HB3 -0.02 0.01 0.12 -0.04 3.93 3.99 2ch9A1 GLN 28 H -0.01 0.40 -0.37 -0.55 8.47 7.93 2ch9A1 GLN 28 HA -0.02 0.22 0.79 -0.75 4.36 4.59 2ch9A1 GLN 28 HB2 -0.01 -0.00 -0.11 -0.04 2.15 1.98 2ch9A1 GLN 28 HB3 -0.01 -0.01 -0.03 -0.04 2.02 1.93 2ch9A1 GLN 28 HG2 -0.01 -0.11 -0.26 -0.04 2.40 1.98 2ch9A1 GLN 28 HG3 -0.01 0.03 -0.09 -0.04 2.39 2.29 2ch9A1 GLN 28 HE21 -0.02 0.00 -0.06 -0.04 6.97 6.85 2ch9A1 GLN 28 HE22 -0.01 0.14 -0.02 -0.04 7.69 7.75 2ch9A1 ASP 29 H -0.02 0.21 0.06 -0.55 8.40 8.10 2ch9A1 ASP 29 HA -0.00 0.13 0.77 -0.75 4.63 4.77 2ch9A1 ASP 29 HB2 -0.01 0.05 0.08 -0.04 2.71 2.79 2ch9A1 ASP 29 HB3 -0.01 0.03 0.24 -0.04 2.70 2.92 2ch9A1 LEU 30 H -0.00 0.29 -0.09 -0.55 8.37 8.03 2ch9A1 LEU 30 HA 0.00 0.19 0.56 -0.75 4.35 4.36 2ch9A1 LEU 30 HB2 0.00 0.04 -0.02 -0.04 1.64 1.62 2ch9A1 LEU 30 HB3 0.00 0.03 0.10 -0.04 1.64 1.73 2ch9A1 LEU 30 HG -0.00 -0.03 -0.19 -0.04 1.64 1.37 2ch9A1 LEU 30 HD13 -0.00 0.01 -0.02 -0.04 0.93 0.88 2ch9A1 LEU 30 HD23 -0.00 0.01 -0.16 -0.04 0.89 0.70 2ch9A1 ASN 31 H 0.01 0.04 -0.26 -0.55 8.53 7.77 2ch9A1 ASN 31 HA 0.01 0.22 0.63 -0.75 4.76 4.87 2ch9A1 ASN 31 HB2 0.00 0.01 -0.11 -0.04 2.88 2.75 2ch9A1 ASN 31 HB3 0.01 -0.04 0.09 -0.04 2.79 2.81 2ch9A1 ASN 31 HD21 0.00 -0.00 0.01 -0.04 7.03 7.00 2ch9A1 ASN 31 HD22 0.00 -0.03 0.02 -0.04 7.74 7.69 2ch9A1 SER 32 H 0.01 0.19 -0.22 -0.55 8.46 7.90 2ch9A1 SER 32 HA 0.02 -0.02 0.37 -0.75 4.49 4.11 2ch9A1 SER 32 HB2 0.01 0.06 0.08 -0.04 3.95 4.06 2ch9A1 SER 32 HB3 0.02 0.14 0.07 -0.04 3.93 4.12 2ch9A1 ARG 33 H 0.02 0.08 0.18 -0.55 8.46 8.19 2ch9A1 ARG 33 HA 0.01 0.15 0.50 -0.75 4.34 4.24 2ch9A1 ARG 33 HB2 0.02 -0.05 0.12 -0.04 1.90 1.95 2ch9A1 ARG 33 HB3 0.02 0.00 0.07 -0.04 1.80 1.84 2ch9A1 ARG 33 HG2 0.01 0.07 0.03 -0.04 1.67 1.75 2ch9A1 ARG 33 HG3 0.02 -0.02 0.05 -0.04 1.67 1.68 2ch9A1 ARG 33 HD2 0.01 0.02 0.06 -0.04 3.22 3.27 2ch9A1 ARG 33 HD3 0.01 0.01 0.02 -0.04 3.22 3.22 2ch9A1 VAL 34 H 0.03 0.03 -0.20 -0.55 8.24 7.54 2ch9A1 VAL 34 HA 0.02 0.18 0.86 -0.75 4.13 4.44 2ch9A1 VAL 34 HB 0.04 -0.06 -0.03 -0.04 2.12 2.03 2ch9A1 VAL 34 HG13 0.03 0.06 -0.07 -0.04 0.97 0.95 2ch9A1 VAL 34 HG23 0.03 -0.02 -0.16 -0.04 0.95 0.76 2ch9A1 LYS 35 H 0.02 0.10 0.08 -0.55 8.42 8.07 2ch9A1 LYS 35 HA 0.02 0.13 0.57 -0.75 4.32 4.29 2ch9A1 LYS 35 HB2 0.02 -0.02 0.11 -0.04 1.87 1.94 2ch9A1 LYS 35 HB3 0.03 -0.06 0.10 -0.04 1.79 1.82 2ch9A1 LYS 35 HG2 0.03 0.22 -0.12 -0.04 1.46 1.55 2ch9A1 LYS 35 HG3 0.02 -0.02 0.04 -0.04 1.46 1.46 2ch9A1 LYS 35 HD2 0.01 -0.04 0.01 -0.04 1.69 1.63 2ch9A1 LYS 35 HD3 0.02 -0.02 -0.03 -0.04 1.68 1.61 2ch9A1 LYS 35 HE2 0.01 0.01 0.00 -0.04 2.99 2.97 2ch9A1 LYS 35 HE3 0.01 -0.04 0.00 -0.04 2.99 2.92 2ch9A1 PRO 36 HA 0.05 -0.00 0.39 -0.51 4.44 4.36 2ch9A1 PRO 36 HB2 0.05 0.11 -0.00 -0.04 2.28 2.39 2ch9A1 PRO 36 HB3 0.03 -0.01 0.13 -0.04 2.02 2.13 2ch9A1 PRO 36 HG2 0.05 0.01 0.07 -0.04 2.03 2.12 2ch9A1 PRO 36 HG3 0.03 0.03 0.10 -0.04 2.03 2.15 2ch9A1 PRO 36 HD2 0.03 0.04 0.21 -0.04 3.68 3.92 2ch9A1 PRO 36 HD3 0.03 0.20 0.26 -0.04 3.65 4.09 2ch9A1 GLY 37 H 0.06 0.18 0.26 -0.55 8.43 8.39 2ch9A1 GLY 37 HA2 0.09 0.05 0.67 -0.51 4.01 4.31 2ch9A1 GLY 37 HA3 0.07 -0.02 0.43 -0.51 4.01 3.98 2ch9A1 PHE 38 H 0.20 0.13 0.21 -0.55 8.34 8.32 2ch9A1 PHE 38 HA 0.02 0.19 0.80 -0.75 4.62 4.87 2ch9A1 PHE 38 HB2 0.01 0.01 0.04 -0.04 3.15 3.17 2ch9A1 PHE 38 HB3 0.02 -0.03 0.08 -0.04 3.06 3.08 2ch9A1 PHE 38 HD2 0.01 0.03 -0.03 -0.04 7.28 7.25 2ch9A1 PHE 38 HE2 0.01 -0.03 0.02 -0.04 7.38 7.34 2ch9A1 PHE 38 HZ 0.01 -0.04 0.01 -0.04 7.32 7.26 2ch9A1 PRO 39 HA -0.09 0.16 0.45 -0.51 4.44 4.45 2ch9A1 PRO 39 HB2 -0.26 -0.01 -0.02 -0.04 2.28 1.95 2ch9A1 PRO 39 HB3 -0.13 -0.01 -0.08 -0.04 2.02 1.75 2ch9A1 PRO 39 HG2 -0.41 0.03 0.02 -0.04 2.03 1.63 2ch9A1 PRO 39 HG3 -0.24 0.04 -0.02 -0.04 2.03 1.77 2ch9A1 PRO 39 HD2 -2.20 0.08 0.18 -0.04 3.68 1.70 2ch9A1 PRO 39 HD3 -0.60 0.17 0.19 -0.04 3.65 3.37 2ch9A1 LYS 40 H 0.00 0.61 0.43 -0.55 8.42 8.91 2ch9A1 LYS 40 HA 0.09 0.15 0.97 -0.75 4.32 4.78 2ch9A1 LYS 40 HB2 0.05 0.01 0.07 -0.04 1.87 1.95 2ch9A1 LYS 40 HB3 0.07 -0.03 0.16 -0.04 1.79 1.95 2ch9A1 LYS 40 HG2 0.07 0.12 0.10 -0.04 1.46 1.71 2ch9A1 LYS 40 HG3 0.06 -0.06 0.06 -0.04 1.46 1.48 2ch9A1 LYS 40 HD2 0.12 -0.03 0.02 -0.04 1.69 1.76 2ch9A1 LYS 40 HD3 0.20 0.11 -0.26 -0.04 1.68 1.69 2ch9A1 LYS 40 HE2 0.07 -0.03 0.03 -0.04 2.99 3.02 2ch9A1 LYS 40 HE3 0.10 -0.02 0.02 -0.04 2.99 3.05 2ch9A1 THR 41 H 0.06 0.11 0.18 -0.55 8.28 8.09 2ch9A1 THR 41 HA 0.05 0.18 0.70 -0.75 4.39 4.56 2ch9A1 THR 41 HB 0.05 0.00 0.18 -0.04 4.32 4.51 2ch9A1 THR 41 HG23 0.04 -0.01 0.01 -0.04 1.22 1.22 2ch9A1 ILE 42 H 0.06 0.56 0.30 -0.55 8.25 8.62 2ch9A1 ILE 42 HA 0.05 0.08 0.64 -0.75 4.18 4.20 2ch9A1 ILE 42 HB 0.08 0.09 -0.14 -0.04 1.89 1.88 2ch9A1 ILE 42 HG12 0.08 0.05 0.02 -0.04 1.49 1.60 2ch9A1 ILE 42 HG13 0.07 -0.00 0.12 -0.04 1.21 1.36 2ch9A1 ILE 42 HG23 0.14 0.00 -0.31 -0.04 0.93 0.72 2ch9A1 ILE 42 HD13 0.17 -0.02 -0.04 -0.04 0.88 0.94 2ch9A1 LYS 43 H 0.04 0.11 0.12 -0.55 8.42 8.14 2ch9A1 LYS 43 HA 0.03 0.12 0.49 -0.75 4.32 4.20 2ch9A1 LYS 43 HB2 0.03 -0.06 0.08 -0.04 1.87 1.88 2ch9A1 LYS 43 HB3 0.02 -0.02 0.06 -0.04 1.79 1.81 2ch9A1 LYS 43 HG2 0.02 0.06 0.05 -0.04 1.46 1.55 2ch9A1 LYS 43 HG3 0.03 0.01 0.09 -0.04 1.46 1.55 2ch9A1 LYS 43 HD2 0.02 -0.02 -0.00 -0.04 1.69 1.64 2ch9A1 LYS 43 HD3 0.02 0.04 0.02 -0.04 1.68 1.71 2ch9A1 LYS 43 HE2 0.02 -0.01 0.02 -0.04 2.99 2.98 2ch9A1 LYS 43 HE3 0.02 0.03 0.01 -0.04 2.99 3.01 2ch9A1 THR 44 H 0.02 0.19 0.17 -0.55 8.28 8.11 2ch9A1 THR 44 HA 0.01 0.12 0.28 -0.75 4.39 4.05 2ch9A1 THR 44 HB 0.00 0.06 0.05 -0.04 4.32 4.39 2ch9A1 THR 44 HG23 0.02 0.03 -0.21 -0.04 1.22 1.01 2ch9A1 ASN 45 H 0.01 -0.02 -0.36 -0.55 8.53 7.61 2ch9A1 ASN 45 HA -0.02 0.27 0.83 -0.75 4.76 5.09 2ch9A1 ASN 45 HB2 -0.01 0.04 0.11 -0.04 2.88 2.98 2ch9A1 ASN 45 HB3 -0.00 0.03 -0.02 -0.04 2.79 2.75 2ch9A1 ASN 45 HD21 0.00 0.00 -0.03 -0.04 7.03 6.96 2ch9A1 ASN 45 HD22 -0.00 0.04 -0.01 -0.04 7.74 7.73 2ch9A1 ASP 46 H 0.01 0.33 -0.30 -0.55 8.40 7.88 2ch9A1 ASP 46 HA 0.01 0.14 0.48 -0.75 4.63 4.50 2ch9A1 ASP 46 HB2 0.04 0.01 0.12 -0.04 2.71 2.84 2ch9A1 ASP 46 HB3 0.04 0.07 0.10 -0.04 2.70 2.87 2ch9A1 PRO 47 HA -0.05 0.12 0.36 -0.51 4.44 4.36 2ch9A1 PRO 47 HB2 -0.01 0.00 0.06 -0.04 2.28 2.29 2ch9A1 PRO 47 HB3 -0.03 0.07 0.09 -0.04 2.02 2.12 2ch9A1 PRO 47 HG2 0.00 0.05 0.10 -0.04 2.03 2.15 2ch9A1 PRO 47 HG3 -0.01 0.12 0.12 -0.04 2.03 2.21 2ch9A1 PRO 47 HD2 0.02 0.05 0.21 -0.04 3.68 3.91 2ch9A1 PRO 47 HD3 0.00 0.20 0.27 -0.04 3.65 4.08 2ch9A1 GLY 48 H 0.01 0.12 -0.21 -0.55 8.43 7.81 2ch9A1 GLY 48 HA2 -0.07 0.09 0.41 -0.51 4.01 3.93 2ch9A1 GLY 48 HA3 0.05 0.07 0.22 -0.51 4.01 3.84 2ch9A1 VAL 49 H -0.08 0.09 -0.27 -0.55 8.24 7.42 2ch9A1 VAL 49 HA -0.54 0.04 0.43 -0.75 4.13 3.30 2ch9A1 VAL 49 HB -0.05 0.13 -0.03 -0.04 2.12 2.13 2ch9A1 VAL 49 HG13 -0.05 -0.01 -0.18 -0.04 0.97 0.69 2ch9A1 VAL 49 HG23 0.09 0.02 -0.07 -0.04 0.95 0.94 2ch9A1 LEU 50 H -0.12 0.55 -0.29 -0.55 8.37 7.96 2ch9A1 LEU 50 HA -0.11 0.04 0.32 -0.75 4.35 3.85 2ch9A1 LEU 50 HB2 -0.10 0.10 0.06 -0.04 1.64 1.66 2ch9A1 LEU 50 HB3 -0.09 -0.03 -0.03 -0.04 1.64 1.45 2ch9A1 LEU 50 HG -0.06 0.10 -0.30 -0.04 1.64 1.35 2ch9A1 LEU 50 HD13 -0.04 -0.01 -0.11 -0.04 0.93 0.72 2ch9A1 LEU 50 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.78 2ch9A1 GLN 51 H -0.21 0.49 -0.16 -0.55 8.47 8.04 2ch9A1 GLN 51 HA -0.36 0.03 0.46 -0.75 4.36 3.74 2ch9A1 GLN 51 HB2 -0.22 0.04 0.09 -0.04 2.15 2.02 2ch9A1 GLN 51 HB3 -0.24 0.07 0.11 -0.04 2.02 1.93 2ch9A1 GLN 51 HG2 -0.23 0.00 -0.04 -0.04 2.40 2.09 2ch9A1 GLN 51 HG3 -0.81 -0.02 -0.16 -0.04 2.39 1.36 2ch9A1 GLN 51 HE21 -0.62 0.01 -0.01 -0.04 6.97 6.31 2ch9A1 GLN 51 HE22 -1.86 -0.07 0.03 -0.04 7.69 5.76 2ch9A1 ALA 52 H -0.37 0.52 -0.24 -0.55 8.40 7.76 2ch9A1 ALA 52 HA -0.00 0.01 0.42 -0.75 4.34 4.02 2ch9A1 ALA 52 HB3 -0.41 0.02 0.08 -0.04 1.41 1.07 2ch9A1 ALA 53 H -0.18 0.58 -0.18 -0.55 8.40 8.07 2ch9A1 ALA 53 HA -0.05 0.00 0.43 -0.75 4.34 3.97 2ch9A1 ALA 53 HB3 -0.07 0.04 0.04 -0.04 1.41 1.37 2ch9A1 ARG 54 H -0.21 0.44 -0.27 -0.55 8.46 7.87 2ch9A1 ARG 54 HA -0.08 -0.02 0.58 -0.75 4.34 4.07 2ch9A1 ARG 54 HB2 -0.18 0.04 0.11 -0.04 1.90 1.82 2ch9A1 ARG 54 HB3 -0.40 0.16 0.17 -0.04 1.80 1.68 2ch9A1 ARG 54 HG2 -0.20 -0.01 -0.02 -0.04 1.67 1.40 2ch9A1 ARG 54 HG3 -0.22 0.01 -0.23 -0.04 1.67 1.19 2ch9A1 ARG 54 HD2 -0.06 -0.04 0.01 -0.04 3.22 3.08 2ch9A1 ARG 54 HD3 -0.05 -0.06 0.10 -0.04 3.22 3.17 2ch9A1 TYR 55 H -0.38 0.57 -0.08 -0.55 8.29 7.86 2ch9A1 TYR 55 HA -0.13 0.01 0.46 -0.75 4.56 4.15 2ch9A1 TYR 55 HB2 -0.09 0.16 0.12 -0.04 3.06 3.21 2ch9A1 TYR 55 HB3 -0.01 -0.04 -0.07 -0.04 2.98 2.81 2ch9A1 TYR 55 HD2 -0.36 -0.03 -0.05 -0.04 7.15 6.67 2ch9A1 TYR 55 HE2 -0.61 -0.02 -0.09 -0.04 6.85 6.09 2ch9A1 SER 56 H 0.05 0.45 -0.34 -0.55 8.46 8.08 2ch9A1 SER 56 HA 0.10 0.05 0.32 -0.75 4.49 4.20 2ch9A1 SER 56 HB2 0.01 0.14 0.11 -0.04 3.95 4.17 2ch9A1 SER 56 HB3 0.03 -0.04 -0.05 -0.04 3.93 3.82 2ch9A1 VAL 57 H 0.04 0.46 -0.15 -0.55 8.24 8.04 2ch9A1 VAL 57 HA 0.11 0.03 0.35 -0.75 4.13 3.88 2ch9A1 VAL 57 HB 0.04 0.03 0.01 -0.04 2.12 2.16 2ch9A1 VAL 57 HG13 0.05 -0.01 0.04 -0.04 0.97 1.01 2ch9A1 VAL 57 HG23 0.10 -0.03 -0.30 -0.04 0.95 0.68 2ch9A1 GLU 58 H 0.09 0.49 -0.28 -0.55 8.60 8.35 2ch9A1 GLU 58 HA 0.11 0.01 0.57 -0.75 4.29 4.23 2ch9A1 GLU 58 HB2 0.13 0.12 0.15 -0.04 2.09 2.45 2ch9A1 GLU 58 HB3 0.11 -0.04 0.03 -0.04 1.99 2.05 2ch9A1 GLU 58 HG2 0.06 -0.06 0.04 -0.04 2.34 2.33 2ch9A1 GLU 58 HG3 0.03 0.20 0.07 -0.04 2.34 2.61 2ch9A1 LYS 59 H 0.13 0.62 -0.09 -0.55 8.42 8.52 2ch9A1 LYS 59 HA 0.08 0.02 0.54 -0.75 4.32 4.20 2ch9A1 LYS 59 HB2 0.11 -0.04 0.12 -0.04 1.87 2.02 2ch9A1 LYS 59 HB3 0.11 0.16 0.17 -0.04 1.79 2.19 2ch9A1 LYS 59 HG2 0.07 0.03 -0.03 -0.04 1.46 1.48 2ch9A1 LYS 59 HG3 0.05 -0.01 -0.19 -0.04 1.46 1.27 2ch9A1 LYS 59 HD2 0.04 -0.03 0.07 -0.04 1.69 1.72 2ch9A1 LYS 59 HD3 0.06 -0.08 0.06 -0.04 1.68 1.68 2ch9A1 LYS 59 HE2 0.04 0.14 0.01 -0.04 2.99 3.14 2ch9A1 LYS 59 HE3 0.02 -0.02 -0.00 -0.04 2.99 2.94 2ch9A1 PHE 60 H 0.22 0.44 -0.22 -0.55 8.34 8.23 2ch9A1 PHE 60 HA -0.02 0.04 0.34 -0.75 4.62 4.22 2ch9A1 PHE 60 HB2 -0.02 0.01 0.01 -0.04 3.15 3.12 2ch9A1 PHE 60 HB3 -0.01 0.15 0.11 -0.04 3.06 3.27 2ch9A1 PHE 60 HD2 -0.12 0.02 -0.21 -0.04 7.28 6.93 2ch9A1 PHE 60 HE2 -0.69 -0.01 -0.14 -0.04 7.38 6.49 2ch9A1 PHE 60 HZ -0.44 -0.01 -0.13 -0.04 7.32 6.70 2ch9A1 ASN 61 H 0.21 0.61 -0.04 -0.55 8.53 8.77 2ch9A1 ASN 61 HA 0.07 -0.02 0.46 -0.75 4.76 4.51 2ch9A1 ASN 61 HB2 0.11 0.07 0.16 -0.04 2.88 3.18 2ch9A1 ASN 61 HB3 0.10 -0.05 0.08 -0.04 2.79 2.88 2ch9A1 ASN 61 HD21 0.18 0.37 0.08 -0.04 7.03 7.62 2ch9A1 ASN 61 HD22 0.12 -0.06 0.03 -0.04 7.74 7.79 2ch9A1 ASN 62 H 0.04 0.50 -0.25 -0.55 8.53 8.26 2ch9A1 ASN 62 HA -0.01 -0.00 0.48 -0.75 4.76 4.47 2ch9A1 ASN 62 HB2 0.03 -0.01 0.15 -0.04 2.88 3.00 2ch9A1 ASN 62 HB3 0.02 0.11 0.14 -0.04 2.79 3.02 2ch9A1 ASN 62 HD21 -0.01 -0.06 -0.02 -0.04 7.03 6.90 2ch9A1 ASN 62 HD22 -0.01 0.06 -0.13 -0.04 7.74 7.63 2ch9A1 CYS 63 H -0.12 0.31 -0.43 -0.55 8.50 7.71 2ch9A1 CYS 63 HA -0.08 0.11 0.62 -0.75 4.58 4.48 2ch9A1 CYS 63 HB2 -0.14 0.05 0.08 -0.04 2.97 2.92 2ch9A1 CYS 63 HB3 -0.10 -0.10 0.15 -0.04 2.97 2.88 2ch9A1 THR 64 H -0.21 0.35 -0.18 -0.55 8.28 7.70 2ch9A1 THR 64 HA -0.20 0.14 0.85 -0.75 4.39 4.42 2ch9A1 THR 64 HB -0.31 -0.17 0.10 -0.04 4.32 3.90 2ch9A1 THR 64 HG23 -0.85 -0.00 -0.15 -0.04 1.22 0.18 2ch9A1 ASN 65 H -0.10 0.09 0.05 -0.55 8.53 8.03 2ch9A1 ASN 65 HA -0.04 0.33 0.98 -0.75 4.76 5.27 2ch9A1 ASN 65 HB2 -0.04 -0.05 0.12 -0.04 2.88 2.86 2ch9A1 ASN 65 HB3 -0.03 -0.01 0.18 -0.04 2.79 2.90 2ch9A1 ASN 65 HD21 -0.05 0.04 -0.16 -0.04 7.03 6.82 2ch9A1 ASN 65 HD22 -0.06 -0.07 -0.13 -0.04 7.74 7.44 2ch9A1 ASP 66 H 0.01 0.12 -0.14 -0.55 8.40 7.83 2ch9A1 ASP 66 HA 0.07 0.07 0.62 -0.75 4.63 4.64 2ch9A1 ASP 66 HB2 0.22 -0.03 0.07 -0.04 2.71 2.93 2ch9A1 ASP 66 HB3 0.30 0.29 0.03 -0.04 2.70 3.28 2ch9A1 MET 67 H 0.03 0.09 0.17 -0.55 8.47 8.21 2ch9A1 MET 67 HA -0.12 0.21 0.75 -0.75 4.52 4.60 2ch9A1 MET 67 HB2 -0.20 0.04 0.11 -0.04 2.15 2.05 2ch9A1 MET 67 HB3 -0.12 -0.01 0.12 -0.04 2.03 1.98 2ch9A1 MET 67 HG2 -0.45 -0.01 -0.03 -0.04 2.63 2.09 2ch9A1 MET 67 HG3 -1.23 0.00 -0.33 -0.04 2.56 0.97 2ch9A1 MET 67 HE3 -0.24 0.00 0.03 -0.04 2.10 1.85 2ch9A1 PHE 68 H 0.16 0.02 -0.03 -0.55 8.34 7.94 2ch9A1 PHE 68 HA 0.02 0.14 0.94 -0.75 4.62 4.96 2ch9A1 PHE 68 HB2 -0.04 -0.10 0.01 -0.04 3.15 2.99 2ch9A1 PHE 68 HB3 -0.06 0.22 0.00 -0.04 3.06 3.19 2ch9A1 PHE 68 HD2 -0.01 -0.03 -0.41 -0.04 7.28 6.79 2ch9A1 PHE 68 HE2 -0.01 0.02 -0.11 -0.04 7.38 7.24 2ch9A1 PHE 68 HZ -0.01 -0.03 -0.06 -0.04 7.32 7.18 2ch9A1 LEU 69 H 0.19 0.69 0.14 -0.55 8.37 8.84 2ch9A1 LEU 69 HA 0.25 0.08 0.67 -0.75 4.35 4.60 2ch9A1 LEU 69 HB2 0.08 -0.04 -0.02 -0.04 1.64 1.61 2ch9A1 LEU 69 HB3 0.11 0.10 -0.01 -0.04 1.64 1.80 2ch9A1 LEU 69 HG 0.07 0.04 -0.31 -0.04 1.64 1.40 2ch9A1 LEU 69 HD13 0.03 -0.04 -0.11 -0.04 0.93 0.77 2ch9A1 LEU 69 HD23 0.07 -0.01 -0.00 -0.04 0.89 0.91 2ch9A1 PHE 70 H 0.48 0.13 0.14 -0.55 8.34 8.54 2ch9A1 PHE 70 HA 0.10 0.22 0.89 -0.75 4.62 5.08 2ch9A1 PHE 70 HB2 0.18 -0.00 -0.02 -0.04 3.15 3.26 2ch9A1 PHE 70 HB3 -0.02 -0.05 -0.13 -0.04 3.06 2.82 2ch9A1 PHE 70 HD2 0.06 -0.02 -0.34 -0.04 7.28 6.94 2ch9A1 PHE 70 HE2 0.09 0.00 -0.16 -0.04 7.38 7.27 2ch9A1 PHE 70 HZ 0.09 0.01 -0.09 -0.04 7.32 7.28 2ch9A1 LYS 71 H 0.26 0.59 0.27 -0.55 8.42 8.98 2ch9A1 LYS 71 HA 0.08 0.06 0.73 -0.75 4.32 4.44 2ch9A1 LYS 71 HB2 -0.12 0.00 -0.25 -0.04 1.87 1.46 2ch9A1 LYS 71 HB3 -0.24 0.01 -0.08 -0.04 1.79 1.44 2ch9A1 LYS 71 HG2 0.02 0.23 -0.10 -0.04 1.46 1.57 2ch9A1 LYS 71 HG3 -0.05 -0.12 0.03 -0.04 1.46 1.27 2ch9A1 LYS 71 HD2 -0.27 0.06 -0.01 -0.04 1.69 1.43 2ch9A1 LYS 71 HD3 -0.64 -0.05 -0.08 -0.04 1.68 0.87 2ch9A1 LYS 71 HE2 -0.08 -0.02 -0.02 -0.04 2.99 2.83 2ch9A1 LYS 71 HE3 -0.10 -0.15 -0.11 -0.04 2.99 2.60 2ch9A1 GLU 72 H 0.06 0.11 0.10 -0.55 8.60 8.33 2ch9A1 GLU 72 HA 0.06 0.10 0.62 -0.75 4.29 4.32 2ch9A1 GLU 72 HB2 0.01 0.01 0.00 -0.04 2.09 2.07 2ch9A1 GLU 72 HB3 0.01 0.06 0.01 -0.04 1.99 2.03 2ch9A1 GLU 72 HG2 0.03 0.04 -0.15 -0.04 2.34 2.22 2ch9A1 GLU 72 HG3 -0.02 -0.01 -0.14 -0.04 2.34 2.13 2ch9A1 SER 73 H 0.02 0.80 0.45 -0.55 8.46 9.19 2ch9A1 SER 73 HA 0.14 0.23 0.98 -0.75 4.49 5.08 2ch9A1 SER 73 HB2 -0.46 -0.02 0.02 -0.04 3.95 3.45 2ch9A1 SER 73 HB3 -0.58 0.02 -0.09 -0.04 3.93 3.24 2ch9A1 ARG 74 H -0.02 0.32 0.29 -0.55 8.46 8.49 2ch9A1 ARG 74 HA -0.02 0.13 0.60 -0.75 4.34 4.31 2ch9A1 ARG 74 HB2 -0.05 0.15 -0.22 -0.04 1.90 1.74 2ch9A1 ARG 74 HB3 -0.04 -0.10 0.01 -0.04 1.80 1.63 2ch9A1 ARG 74 HG2 -0.02 -0.06 -0.28 -0.04 1.67 1.27 2ch9A1 ARG 74 HG3 -0.02 0.03 0.01 -0.04 1.67 1.65 2ch9A1 ARG 74 HD2 -0.02 0.01 -0.04 -0.04 3.22 3.13 2ch9A1 ARG 74 HD3 -0.04 0.04 -0.03 -0.04 3.22 3.15 2ch9A1 ILE 75 H -0.01 0.27 0.12 -0.55 8.25 8.07 2ch9A1 ILE 75 HA -0.01 0.18 1.17 -0.75 4.18 4.77 2ch9A1 ILE 75 HB -0.01 0.06 0.19 -0.04 1.89 2.09 2ch9A1 ILE 75 HG12 -0.03 -0.01 -0.04 -0.04 1.49 1.37 2ch9A1 ILE 75 HG13 -0.02 -0.14 -0.29 -0.04 1.21 0.72 2ch9A1 ILE 75 HG23 -0.01 -0.01 -0.09 -0.04 0.93 0.78 2ch9A1 ILE 75 HD13 -0.04 0.02 -0.07 -0.04 0.88 0.74 2ch9A1 THR 76 H 0.01 0.52 0.29 -0.55 8.28 8.55 2ch9A1 THR 76 HA 0.00 0.13 0.63 -0.75 4.39 4.39 2ch9A1 THR 76 HB 0.01 0.00 0.01 -0.04 4.32 4.30 2ch9A1 THR 76 HG23 -0.01 -0.01 -0.08 -0.04 1.22 1.08 2ch9A1 ARG 77 H 0.03 0.34 0.30 -0.55 8.46 8.57 2ch9A1 ARG 77 HA 0.03 0.16 0.80 -0.75 4.34 4.58 2ch9A1 ARG 77 HB2 0.06 -0.06 0.04 -0.04 1.90 1.90 2ch9A1 ARG 77 HB3 0.05 0.02 0.03 -0.04 1.80 1.86 2ch9A1 ARG 77 HG2 0.03 0.12 0.06 -0.04 1.67 1.83 2ch9A1 ARG 77 HG3 0.02 -0.08 -0.44 -0.04 1.67 1.13 2ch9A1 ARG 77 HD2 0.03 -0.00 -0.03 -0.04 3.22 3.18 2ch9A1 ARG 77 HD3 0.02 0.02 -0.02 -0.04 3.22 3.19 2ch9A1 ALA 78 H 0.05 0.28 0.22 -0.55 8.40 8.40 2ch9A1 ALA 78 HA 0.07 0.27 0.94 -0.75 4.34 4.87 2ch9A1 ALA 78 HB3 0.07 0.04 -0.11 -0.04 1.41 1.37 2ch9A1 LEU 79 H 0.09 0.72 0.42 -0.55 8.37 9.06 2ch9A1 LEU 79 HA 0.05 0.23 0.79 -0.75 4.35 4.67 2ch9A1 LEU 79 HB2 0.04 -0.04 0.05 -0.04 1.64 1.65 2ch9A1 LEU 79 HB3 -0.00 -0.01 -0.07 -0.04 1.64 1.52 2ch9A1 LEU 79 HG 0.05 -0.06 -0.27 -0.04 1.64 1.32 2ch9A1 LEU 79 HD13 0.01 0.00 -0.11 -0.04 0.93 0.79 2ch9A1 LEU 79 HD23 0.03 0.01 -0.27 -0.04 0.89 0.62 2ch9A1 VAL 80 H 0.02 0.66 0.33 -0.55 8.24 8.70 2ch9A1 VAL 80 HA -0.13 0.31 0.98 -0.75 4.13 4.54 2ch9A1 VAL 80 HB 0.00 -0.04 -0.12 -0.04 2.12 1.92 2ch9A1 VAL 80 HG13 0.02 0.02 -0.04 -0.04 0.97 0.93 2ch9A1 VAL 80 HG23 -0.45 -0.01 -0.14 -0.04 0.95 0.32 2ch9A1 GLN 81 H -0.11 0.71 0.34 -0.55 8.47 8.86 2ch9A1 GLN 81 HA -0.02 0.20 0.80 -0.75 4.36 4.59 2ch9A1 GLN 81 HB2 -0.07 -0.04 -0.20 -0.04 2.15 1.79 2ch9A1 GLN 81 HB3 -0.03 -0.01 0.01 -0.04 2.02 1.95 2ch9A1 GLN 81 HG2 0.01 0.03 -0.46 -0.04 2.40 1.93 2ch9A1 GLN 81 HG3 -0.03 -0.01 -0.56 -0.04 2.39 1.75 2ch9A1 GLN 81 HE21 -0.06 -0.09 -0.01 -0.04 6.97 6.77 2ch9A1 GLN 81 HE22 -0.02 0.73 0.09 -0.04 7.69 8.45 2ch9A1 ILE 82 H 0.04 0.18 0.08 -0.55 8.25 8.00 2ch9A1 ILE 82 HA 0.09 0.24 0.91 -0.75 4.18 4.67 2ch9A1 ILE 82 HB 0.07 -0.01 0.21 -0.04 1.89 2.12 2ch9A1 ILE 82 HG12 0.05 0.01 0.07 -0.04 1.49 1.58 2ch9A1 ILE 82 HG13 0.06 0.02 0.04 -0.04 1.21 1.29 2ch9A1 ILE 82 HG23 0.12 -0.01 -0.04 -0.04 0.93 0.95 2ch9A1 ILE 82 HD13 0.06 -0.01 -0.11 -0.04 0.88 0.78 2ch9A1 VAL 83 H 0.21 0.63 0.06 -0.55 8.24 8.58 2ch9A1 VAL 83 HA 0.12 0.04 0.54 -0.75 4.13 4.07 2ch9A1 VAL 83 HB 0.03 0.11 0.00 -0.04 2.12 2.22 2ch9A1 VAL 83 HG13 0.05 -0.01 -0.23 -0.04 0.97 0.75 2ch9A1 VAL 83 HG23 -0.08 -0.00 -0.08 -0.04 0.95 0.76 2ch9A1 LYS 84 H 0.20 0.14 0.01 -0.55 8.42 8.21 2ch9A1 LYS 84 HA 0.33 -0.01 0.30 -0.75 4.32 4.18 2ch9A1 LYS 84 HB2 0.42 0.13 0.04 -0.04 1.87 2.42 2ch9A1 LYS 84 HB3 0.32 -0.00 0.15 -0.04 1.79 2.22 2ch9A1 LYS 84 HG2 0.14 -0.08 -0.11 -0.04 1.46 1.37 2ch9A1 LYS 84 HG3 0.14 0.04 -0.08 -0.04 1.46 1.52 2ch9A1 LYS 84 HD2 0.18 0.02 0.02 -0.04 1.69 1.87 2ch9A1 LYS 84 HD3 0.13 -0.02 0.02 -0.04 1.68 1.77 2ch9A1 LYS 84 HE2 0.09 0.03 -0.01 -0.04 2.99 3.06 2ch9A1 LYS 84 HE3 0.08 -0.01 0.00 -0.04 2.99 3.03 2ch9A1 GLY 85 H 0.39 0.09 -0.11 -0.55 8.43 8.24 2ch9A1 GLY 85 HA2 0.13 -0.05 0.42 -0.51 4.01 4.00 2ch9A1 GLY 85 HA3 -0.15 0.23 0.49 -0.51 4.01 4.07 2ch9A1 LEU 86 H -0.13 0.74 0.34 -0.55 8.37 8.77 2ch9A1 LEU 86 HA 0.01 0.23 1.05 -0.75 4.35 4.89 2ch9A1 LEU 86 HB2 -0.02 0.01 0.22 -0.04 1.64 1.82 2ch9A1 LEU 86 HB3 -0.43 -0.00 -0.03 -0.04 1.64 1.14 2ch9A1 LEU 86 HG 0.12 -0.04 -0.08 -0.04 1.64 1.59 2ch9A1 LEU 86 HD13 0.11 -0.01 -0.04 -0.04 0.93 0.96 2ch9A1 LEU 86 HD23 0.05 0.03 -0.14 -0.04 0.89 0.79 2ch9A1 LYS 87 H 0.01 0.78 0.35 -0.55 8.42 9.01 2ch9A1 LYS 87 HA 0.21 0.28 1.12 -0.75 4.32 5.18 2ch9A1 LYS 87 HB2 0.17 0.01 -0.02 -0.04 1.87 2.00 2ch9A1 LYS 87 HB3 0.03 -0.06 0.12 -0.04 1.79 1.84 2ch9A1 LYS 87 HG2 0.07 0.08 -0.25 -0.04 1.46 1.33 2ch9A1 LYS 87 HG3 0.10 -0.02 -0.13 -0.04 1.46 1.36 2ch9A1 LYS 87 HD2 -0.02 0.00 -0.11 -0.04 1.69 1.52 2ch9A1 LYS 87 HD3 0.01 -0.02 -0.16 -0.04 1.68 1.46 2ch9A1 LYS 87 HE2 0.01 -0.02 -0.12 -0.04 2.99 2.81 2ch9A1 LYS 87 HE3 -0.10 0.01 -0.10 -0.04 2.99 2.76 2ch9A1 TYR 88 H 0.22 0.84 0.40 -0.55 8.29 9.20 2ch9A1 TYR 88 HA 0.04 0.24 1.04 -0.75 4.56 5.12 2ch9A1 TYR 88 HB2 0.04 -0.04 0.18 -0.04 3.06 3.21 2ch9A1 TYR 88 HB3 0.01 0.02 0.02 -0.04 2.98 2.99 2ch9A1 TYR 88 HD2 0.05 0.12 -0.03 -0.04 7.15 7.26 2ch9A1 TYR 88 HE2 0.04 -0.03 -0.11 -0.04 6.85 6.70 2ch9A1 MET 89 H 0.10 0.71 0.33 -0.55 8.47 9.06 2ch9A1 MET 89 HA -0.07 0.31 1.01 -0.75 4.52 5.01 2ch9A1 MET 89 HB2 0.10 -0.11 0.14 -0.04 2.15 2.24 2ch9A1 MET 89 HB3 0.26 0.03 0.02 -0.04 2.03 2.29 2ch9A1 MET 89 HG2 0.10 0.04 -0.08 -0.04 2.63 2.66 2ch9A1 MET 89 HG3 0.04 -0.03 -0.34 -0.04 2.56 2.19 2ch9A1 MET 89 HE3 -0.02 0.01 -0.10 -0.04 2.10 1.95 2ch9A1 LEU 90 H -0.32 0.79 0.32 -0.55 8.37 8.61 2ch9A1 LEU 90 HA 0.03 0.23 1.07 -0.75 4.35 4.93 2ch9A1 LEU 90 HB2 -0.08 -0.05 -0.01 -0.04 1.64 1.45 2ch9A1 LEU 90 HB3 -0.03 0.04 -0.05 -0.04 1.64 1.56 2ch9A1 LEU 90 HG 0.03 -0.02 -0.32 -0.04 1.64 1.28 2ch9A1 LEU 90 HD13 -0.07 -0.01 -0.20 -0.04 0.93 0.62 2ch9A1 LEU 90 HD23 0.04 0.03 -0.11 -0.04 0.89 0.81 2ch9A1 GLU 91 H 0.05 0.68 0.35 -0.55 8.60 9.13 2ch9A1 GLU 91 HA 0.10 0.33 1.00 -0.75 4.29 4.96 2ch9A1 GLU 91 HB2 0.12 0.02 0.09 -0.04 2.09 2.29 2ch9A1 GLU 91 HB3 0.06 -0.21 0.32 -0.04 1.99 2.11 2ch9A1 GLU 91 HG2 0.04 -0.04 -0.09 -0.04 2.34 2.21 2ch9A1 GLU 91 HG3 0.08 0.11 0.06 -0.04 2.34 2.55 2ch9A1 VAL 92 H 0.02 0.63 0.24 -0.55 8.24 8.58 2ch9A1 VAL 92 HA -0.00 0.19 1.18 -0.75 4.13 4.75 2ch9A1 VAL 92 HB -0.02 0.00 -0.12 -0.04 2.12 1.94 2ch9A1 VAL 92 HG13 -0.02 -0.00 -0.12 -0.04 0.97 0.78 2ch9A1 VAL 92 HG23 -0.01 0.00 -0.12 -0.04 0.95 0.77 2ch9A1 GLU 93 H -0.01 0.82 0.50 -0.55 8.60 9.36 2ch9A1 GLU 93 HA -0.02 0.28 1.21 -0.75 4.29 5.01 2ch9A1 GLU 93 HB2 -0.04 -0.07 0.22 -0.04 2.09 2.15 2ch9A1 GLU 93 HB3 -0.05 0.06 0.07 -0.04 1.99 2.03 2ch9A1 GLU 93 HG2 -0.01 0.05 0.03 -0.04 2.34 2.37 2ch9A1 GLU 93 HG3 -0.01 -0.07 -0.04 -0.04 2.34 2.18 2ch9A1 ILE 94 H -0.03 0.64 0.40 -0.55 8.25 8.71 2ch9A1 ILE 94 HA 0.05 0.17 1.01 -0.75 4.18 4.66 2ch9A1 ILE 94 HB 0.04 0.00 -0.12 -0.04 1.89 1.78 2ch9A1 ILE 94 HG12 -0.22 0.04 -0.02 -0.04 1.49 1.25 2ch9A1 ILE 94 HG13 -0.13 -0.06 -0.12 -0.04 1.21 0.86 2ch9A1 ILE 94 HG23 -0.06 -0.01 -0.30 -0.04 0.93 0.52 2ch9A1 ILE 94 HD13 -1.16 0.00 -0.17 -0.04 0.88 -0.48 2ch9A1 GLY 95 H 0.25 0.64 0.31 -0.55 8.43 9.09 2ch9A1 GLY 95 HA2 0.05 0.32 1.13 -0.51 4.01 5.00 2ch9A1 GLY 95 HA3 -0.14 0.02 0.32 -0.51 4.01 3.69 2ch9A1 ARG 96 H -0.30 0.49 0.36 -0.55 8.46 8.45 2ch9A1 ARG 96 HA -1.22 0.05 0.55 -0.75 4.34 2.97 2ch9A1 ARG 96 HB2 -0.88 -0.02 0.16 -0.04 1.90 1.12 2ch9A1 ARG 96 HB3 -0.34 -0.03 0.25 -0.04 1.80 1.64 2ch9A1 ARG 96 HG2 -0.38 0.24 -0.08 -0.04 1.67 1.41 2ch9A1 ARG 96 HG3 -0.43 -0.05 -0.04 -0.04 1.67 1.11 2ch9A1 ARG 96 HD2 -0.15 0.36 0.08 -0.04 3.22 3.47 2ch9A1 ARG 96 HD3 -0.02 -0.07 -0.00 -0.04 3.22 3.08 2ch9A1 THR 97 H -0.23 0.67 0.35 -0.55 8.28 8.51 2ch9A1 THR 97 HA -0.15 0.05 0.91 -0.75 4.39 4.45 2ch9A1 THR 97 HB -0.21 0.05 0.02 -0.04 4.32 4.14 2ch9A1 THR 97 HG23 -0.34 0.00 -0.28 -0.04 1.22 0.57 2ch9A1 THR 98 H -0.16 0.49 0.15 -0.55 8.28 8.21 2ch9A1 THR 98 HA -0.50 0.15 0.62 -0.75 4.39 3.91 2ch9A1 THR 98 HB -0.10 -0.02 0.14 -0.04 4.32 4.30 2ch9A1 THR 98 HG23 -0.15 0.01 -0.17 -0.04 1.22 0.87 2ch9A1 CYS 99 H -0.00 0.08 -0.32 -0.55 8.50 7.71 2ch9A1 CYS 99 HA 0.09 0.13 0.75 -0.75 4.58 4.81 2ch9A1 CYS 99 HB2 0.02 -0.04 0.01 -0.04 2.97 2.93 2ch9A1 CYS 99 HB3 0.04 0.09 -0.15 -0.04 2.97 2.91 2ch9A1 LYS 100 H 0.11 0.13 0.14 -0.55 8.42 8.24 2ch9A1 LYS 100 HA -0.05 0.16 0.63 -0.75 4.32 4.31 2ch9A1 LYS 100 HB2 -0.01 -0.08 0.12 -0.04 1.87 1.86 2ch9A1 LYS 100 HB3 -0.10 0.19 0.07 -0.04 1.79 1.91 2ch9A1 LYS 100 HG2 -0.51 0.06 -0.01 -0.04 1.46 0.97 2ch9A1 LYS 100 HG3 0.04 -0.03 0.02 -0.04 1.46 1.45 2ch9A1 LYS 100 HD2 -0.05 -0.03 0.02 -0.04 1.69 1.59 2ch9A1 LYS 100 HD3 -0.16 0.06 0.03 -0.04 1.68 1.57 2ch9A1 LYS 100 HE2 -0.27 -0.01 -0.02 -0.04 2.99 2.64 2ch9A1 LYS 100 HE3 -0.01 -0.03 -0.00 -0.04 2.99 2.91 2ch9A1 LYS 101 H -0.06 0.54 0.13 -0.55 8.42 8.48 2ch9A1 LYS 101 HA 0.00 -0.02 0.50 -0.75 4.32 4.04 2ch9A1 LYS 101 HB2 0.01 0.02 -0.30 -0.04 1.87 1.56 2ch9A1 LYS 101 HB3 -0.04 0.07 -0.07 -0.04 1.79 1.70 2ch9A1 LYS 101 HG2 -0.02 -0.08 0.02 -0.04 1.46 1.33 2ch9A1 LYS 101 HG3 0.02 -0.09 -0.00 -0.04 1.46 1.35 2ch9A1 LYS 101 HD2 0.04 -0.04 -0.07 -0.04 1.69 1.59 2ch9A1 LYS 101 HD3 -0.01 0.13 -0.04 -0.04 1.68 1.72 2ch9A1 LYS 101 HE2 -0.02 -0.12 0.01 -0.04 2.99 2.82 2ch9A1 LYS 101 HE3 0.00 -0.06 -0.02 -0.04 2.99 2.87 2ch9A1 ASN 102 H -0.07 0.12 0.13 -0.55 8.53 8.16 2ch9A1 ASN 102 HA -0.19 -0.02 0.33 -0.75 4.76 4.13 2ch9A1 ASN 102 HB2 -0.07 0.19 -0.21 -0.04 2.88 2.75 2ch9A1 ASN 102 HB3 -0.09 -0.01 0.18 -0.04 2.79 2.83 2ch9A1 ASN 102 HD21 -0.04 0.06 -0.04 -0.04 7.03 6.97 2ch9A1 ASN 102 HD22 -0.05 0.03 -0.11 -0.04 7.74 7.57 2ch9A1 GLN 103 H -0.10 0.06 -0.30 -0.55 8.47 7.59 2ch9A1 GLN 103 HA -0.03 0.24 0.79 -0.75 4.36 4.61 2ch9A1 GLN 103 HB2 -0.00 0.05 -0.07 -0.04 2.15 2.08 2ch9A1 GLN 103 HB3 0.02 -0.03 0.11 -0.04 2.02 2.08 2ch9A1 GLN 103 HG2 -0.01 0.07 -0.09 -0.04 2.40 2.33 2ch9A1 GLN 103 HG3 -0.04 0.18 -0.33 -0.04 2.39 2.16 2ch9A1 GLN 103 HE21 -0.01 -0.04 -0.00 -0.04 6.97 6.87 2ch9A1 GLN 103 HE22 -0.03 0.06 -0.04 -0.04 7.69 7.64 2ch9A1 HIS 104 H -0.28 -0.00 -0.02 -0.55 8.41 7.56 2ch9A1 HIS 104 HA 0.01 0.01 0.25 -0.75 4.63 4.16 2ch9A1 HIS 104 HB2 0.00 0.18 0.07 -0.04 3.26 3.48 2ch9A1 HIS 104 HB3 0.01 -0.02 0.13 -0.04 3.20 3.27 2ch9A1 HIS 104 HD2 0.00 0.07 -0.32 -0.04 6.97 6.68 2ch9A1 HIS 104 HE1 0.01 0.01 -0.04 -0.04 7.75 7.68 2ch9A1 LEU 105 H 0.01 0.01 -0.12 -0.55 8.37 7.73 2ch9A1 LEU 105 HA 0.04 0.16 0.64 -0.75 4.35 4.43 2ch9A1 LEU 105 HB2 0.02 0.01 -0.06 -0.04 1.64 1.56 2ch9A1 LEU 105 HB3 0.01 0.03 -0.13 -0.04 1.64 1.51 2ch9A1 LEU 105 HG 0.03 -0.02 -0.33 -0.04 1.64 1.28 2ch9A1 LEU 105 HD13 0.03 0.05 -0.03 -0.04 0.93 0.94 2ch9A1 LEU 105 HD23 0.03 0.02 -0.08 -0.04 0.89 0.82 2ch9A1 ARG 106 H 0.01 0.18 0.12 -0.55 8.46 8.22 2ch9A1 ARG 106 HA 0.01 0.13 0.68 -0.75 4.34 4.40 2ch9A1 ARG 106 HB2 -0.01 -0.09 0.02 -0.04 1.90 1.78 2ch9A1 ARG 106 HB3 0.01 0.09 0.04 -0.04 1.80 1.90 2ch9A1 ARG 106 HG2 0.00 0.03 0.16 -0.04 1.67 1.82 2ch9A1 ARG 106 HG3 -0.01 -0.08 0.06 -0.04 1.67 1.60 2ch9A1 ARG 106 HD2 0.00 0.07 0.03 -0.04 3.22 3.28 2ch9A1 ARG 106 HD3 -0.00 0.03 0.01 -0.04 3.22 3.21 2ch9A1 LEU 107 H -0.01 0.20 0.15 -0.55 8.37 8.16 2ch9A1 LEU 107 HA -0.05 0.10 0.29 -0.75 4.35 3.94 2ch9A1 LEU 107 HB2 -0.03 -0.04 0.12 -0.04 1.64 1.65 2ch9A1 LEU 107 HB3 -0.05 0.05 -0.01 -0.04 1.64 1.59 2ch9A1 LEU 107 HG 0.01 0.01 0.03 -0.04 1.64 1.65 2ch9A1 LEU 107 HD13 0.03 -0.01 0.03 -0.04 0.93 0.94 2ch9A1 LEU 107 HD23 -0.01 0.00 -0.10 -0.04 0.89 0.74 2ch9A1 ASP 108 H -0.04 0.05 -0.15 -0.55 8.40 7.70 2ch9A1 ASP 108 HA -0.06 0.11 0.45 -0.75 4.63 4.37 2ch9A1 ASP 108 HB2 -0.04 -0.04 -0.00 -0.04 2.71 2.59 2ch9A1 ASP 108 HB3 -0.04 0.05 -0.01 -0.04 2.70 2.66 2ch9A1 ASP 109 H -0.04 0.24 -0.44 -0.55 8.40 7.61 2ch9A1 ASP 109 HA -0.05 0.19 0.75 -0.75 4.63 4.77 2ch9A1 ASP 109 HB2 -0.03 0.04 0.05 -0.04 2.71 2.73 2ch9A1 ASP 109 HB3 -0.03 -0.02 0.13 -0.04 2.70 2.74 2ch9A1 CYS 110 H -0.09 0.41 -0.29 -0.55 8.50 7.97 2ch9A1 CYS 110 HA -0.09 0.06 0.81 -0.75 4.58 4.61 2ch9A1 CYS 110 HB2 -0.14 0.10 0.06 -0.04 2.97 2.95 2ch9A1 CYS 110 HB3 -0.14 -0.07 -0.04 -0.04 2.97 2.67 2ch9A1 ASP 111 H -0.13 0.09 0.13 -0.55 8.40 7.95 2ch9A1 ASP 111 HA -0.28 0.21 0.81 -0.75 4.63 4.62 2ch9A1 ASP 111 HB2 -0.08 -0.04 0.04 -0.04 2.71 2.59 2ch9A1 ASP 111 HB3 -0.06 0.03 0.06 -0.04 2.70 2.70 2ch9A1 PHE 112 H -0.05 0.12 0.09 -0.55 8.34 7.94 2ch9A1 PHE 112 HA -0.12 0.10 0.53 -0.75 4.62 4.38 2ch9A1 PHE 112 HB2 -0.06 -0.03 0.04 -0.04 3.15 3.05 2ch9A1 PHE 112 HB3 -0.09 0.10 0.04 -0.04 3.06 3.06 2ch9A1 PHE 112 HD2 -0.08 0.05 -0.21 -0.04 7.28 7.00 2ch9A1 PHE 112 HE2 -0.04 0.04 0.01 -0.04 7.38 7.35 2ch9A1 PHE 112 HZ -0.03 0.25 -0.38 -0.04 7.32 7.12 2ch9A1 GLN 113 H -0.01 0.62 0.22 -0.55 8.47 8.75 2ch9A1 GLN 113 HA -0.13 -0.08 0.30 -0.75 4.36 3.70 2ch9A1 GLN 113 HB2 -0.11 0.02 -0.06 -0.04 2.15 1.96 2ch9A1 GLN 113 HB3 -0.13 -0.04 -0.31 -0.04 2.02 1.50 2ch9A1 GLN 113 HG2 -0.32 0.02 -0.51 -0.04 2.40 1.55 2ch9A1 GLN 113 HG3 -0.31 0.15 -0.22 -0.04 2.39 1.97 2ch9A1 GLN 113 HE21 -1.21 -0.07 -0.05 -0.04 6.97 5.61 2ch9A1 GLN 113 HE22 -1.33 0.41 -0.07 -0.04 7.69 6.66 2ch9A1 THR 114 H -0.06 0.00 0.14 -0.55 8.28 7.82 2ch9A1 THR 114 HA 0.00 0.19 0.69 -0.75 4.39 4.53 2ch9A1 THR 114 HB -0.02 -0.10 0.13 -0.04 4.32 4.29 2ch9A1 THR 114 HG23 0.00 -0.00 -0.08 -0.04 1.22 1.10 2ch9A1 ASN 115 H -0.03 0.03 0.08 -0.55 8.53 8.06 2ch9A1 ASN 115 HA 0.02 0.03 0.45 -0.75 4.76 4.51 2ch9A1 ASN 115 HB2 -0.03 0.05 0.14 -0.04 2.88 2.99 2ch9A1 ASN 115 HB3 -0.05 -0.02 0.06 -0.04 2.79 2.74 2ch9A1 ASN 115 HD21 0.02 0.05 -0.01 -0.04 7.03 7.04 2ch9A1 ASN 115 HD22 -0.00 0.04 0.01 -0.04 7.74 7.74 2ch9A1 HIS 116 H 0.12 0.14 0.23 -0.55 8.41 8.35 2ch9A1 HIS 116 HA 0.01 0.17 0.37 -0.75 4.63 4.42 2ch9A1 HIS 116 HB2 0.01 0.05 0.16 -0.04 3.26 3.44 2ch9A1 HIS 116 HB3 0.02 -0.04 0.11 -0.04 3.20 3.24 2ch9A1 HIS 116 HD2 0.01 0.02 0.05 -0.04 6.97 7.01 2ch9A1 HIS 116 HE1 0.07 0.01 -0.01 -0.04 7.75 7.77 2ch9A1 THR 117 H 0.05 0.01 -0.18 -0.55 8.28 7.61 2ch9A1 THR 117 HA -0.05 0.17 0.50 -0.75 4.39 4.25 2ch9A1 THR 117 HB 0.04 -0.05 0.07 -0.04 4.32 4.34 2ch9A1 THR 117 HG23 0.02 -0.01 -0.18 -0.04 1.22 1.00 2ch9A1 LEU 118 H -0.04 0.24 -0.55 -0.55 8.37 7.47 2ch9A1 LEU 118 HA -0.03 0.21 0.82 -0.75 4.35 4.60 2ch9A1 LEU 118 HB2 -0.11 -0.03 -0.05 -0.04 1.64 1.42 2ch9A1 LEU 118 HB3 -0.16 0.00 0.01 -0.04 1.64 1.45 2ch9A1 LEU 118 HG -0.00 -0.12 -0.28 -0.04 1.64 1.20 2ch9A1 LEU 118 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.79 2ch9A1 LEU 118 HD23 0.09 0.04 -0.07 -0.04 0.89 0.92 2ch9A1 LYS 119 H -0.08 0.19 -0.14 -0.55 8.42 7.83 2ch9A1 LYS 119 HA -0.08 -0.01 0.48 -0.75 4.32 3.96 2ch9A1 LYS 119 HB2 -0.11 0.09 0.14 -0.04 1.87 1.95 2ch9A1 LYS 119 HB3 -0.04 -0.06 -0.08 -0.04 1.79 1.57 2ch9A1 LYS 119 HG2 -0.03 0.08 -0.10 -0.04 1.46 1.37 2ch9A1 LYS 119 HG3 0.00 0.05 -0.34 -0.04 1.46 1.13 2ch9A1 LYS 119 HD2 0.06 -0.06 -0.03 -0.04 1.69 1.62 2ch9A1 LYS 119 HD3 -0.02 -0.06 -0.05 -0.04 1.68 1.51 2ch9A1 LYS 119 HE2 0.01 -0.08 -0.02 -0.04 2.99 2.86 2ch9A1 LYS 119 HE3 0.01 0.21 0.01 -0.04 2.99 3.18 2ch9A1 GLN 120 H -0.07 0.15 0.26 -0.55 8.47 8.26 2ch9A1 GLN 120 HA 0.11 0.13 0.60 -0.75 4.36 4.45 2ch9A1 GLN 120 HB2 0.02 0.13 -0.12 -0.04 2.15 2.14 2ch9A1 GLN 120 HB3 0.07 -0.06 0.06 -0.04 2.02 2.05 2ch9A1 GLN 120 HG2 0.27 -0.08 -0.29 -0.04 2.40 2.25 2ch9A1 GLN 120 HG3 -0.02 0.04 -0.01 -0.04 2.39 2.36 2ch9A1 GLN 120 HE21 -0.22 -0.03 -0.03 -0.04 6.97 6.64 2ch9A1 GLN 120 HE22 -0.19 0.09 -0.02 -0.04 7.69 7.52 2ch9A1 THR 121 H 0.18 0.24 0.18 -0.55 8.28 8.33 2ch9A1 THR 121 HA 0.09 0.32 1.19 -0.75 4.39 5.23 2ch9A1 THR 121 HB 0.02 -0.03 0.07 -0.04 4.32 4.34 2ch9A1 THR 121 HG23 -0.04 0.02 -0.05 -0.04 1.22 1.11 2ch9A1 LEU 122 H 0.05 0.63 0.38 -0.55 8.37 8.88 2ch9A1 LEU 122 HA 0.08 0.30 1.02 -0.75 4.35 5.00 2ch9A1 LEU 122 HB2 -0.17 -0.05 -0.01 -0.04 1.64 1.37 2ch9A1 LEU 122 HB3 -0.02 -0.05 -0.13 -0.04 1.64 1.39 2ch9A1 LEU 122 HG 0.13 0.08 -0.21 -0.04 1.64 1.60 2ch9A1 LEU 122 HD13 -0.10 -0.02 -0.30 -0.04 0.93 0.47 2ch9A1 LEU 122 HD23 0.07 -0.02 -0.30 -0.04 0.89 0.59 2ch9A1 SER 123 H 0.08 0.54 0.35 -0.55 8.46 8.89 2ch9A1 SER 123 HA 0.03 0.13 1.02 -0.75 4.49 4.92 2ch9A1 SER 123 HB2 0.14 -0.01 0.21 -0.04 3.95 4.25 2ch9A1 SER 123 HB3 0.06 0.03 0.02 -0.04 3.93 4.01 2ch9A1 CYS 124 H 0.03 0.62 0.38 -0.55 8.50 8.98 2ch9A1 CYS 124 HA 0.09 0.34 1.27 -0.75 4.58 5.53 2ch9A1 CYS 124 HB2 0.00 0.00 0.03 -0.04 2.97 2.96 2ch9A1 CYS 124 HB3 0.04 0.05 -0.06 -0.04 2.97 2.97 2ch9A1 TYR 125 H 0.18 0.67 0.43 -0.55 8.29 9.01 2ch9A1 TYR 125 HA 0.03 0.32 0.94 -0.75 4.56 5.10 2ch9A1 TYR 125 HB2 0.02 -0.01 0.11 -0.04 3.06 3.13 2ch9A1 TYR 125 HB3 0.03 -0.05 0.16 -0.04 2.98 3.08 2ch9A1 TYR 125 HD2 0.02 -0.04 -0.14 -0.04 7.15 6.96 2ch9A1 TYR 125 HE2 0.02 -0.04 -0.19 -0.04 6.85 6.59 2ch9A1 SER 126 H -0.52 0.57 0.30 -0.55 8.46 8.26 2ch9A1 SER 126 HA -0.20 0.25 0.77 -0.75 4.49 4.55 2ch9A1 SER 126 HB2 -0.04 0.16 0.14 -0.04 3.95 4.18 2ch9A1 SER 126 HB3 -0.05 -0.05 -0.11 -0.04 3.93 3.68 2ch9A1 GLU 127 H -0.08 0.56 0.31 -0.55 8.60 8.84 2ch9A1 GLU 127 HA -0.04 0.48 0.95 -0.75 4.29 4.93 2ch9A1 GLU 127 HB2 0.03 -0.09 0.13 -0.04 2.09 2.12 2ch9A1 GLU 127 HB3 0.05 0.00 0.02 -0.04 1.99 2.02 2ch9A1 GLU 127 HG2 0.04 0.06 0.08 -0.04 2.34 2.48 2ch9A1 GLU 127 HG3 -0.07 -0.07 -0.29 -0.04 2.34 1.87 2ch9A1 VAL 128 H 0.14 0.52 0.31 -0.55 8.24 8.67 2ch9A1 VAL 128 HA 0.16 0.28 1.15 -0.75 4.13 4.96 2ch9A1 VAL 128 HB 0.25 -0.11 0.17 -0.04 2.12 2.37 2ch9A1 VAL 128 HG13 0.24 -0.00 -0.09 -0.04 0.97 1.07 2ch9A1 VAL 128 HG23 0.09 0.04 -0.20 -0.04 0.95 0.84 2ch9A1 TRP 129 H 0.29 0.62 0.34 -0.55 7.97 8.68 2ch9A1 TRP 129 HA 0.04 0.24 1.05 -0.75 4.62 5.20 2ch9A1 TRP 129 HB2 0.02 -0.02 -0.02 -0.04 3.23 3.17 2ch9A1 TRP 129 HB3 0.03 -0.04 0.11 -0.04 3.23 3.28 2ch9A1 TRP 129 HD1 -0.01 -0.04 -0.37 -0.04 7.22 6.75 2ch9A1 TRP 129 HE1 -0.01 0.42 -0.27 -0.04 10.20 10.31 2ch9A1 TRP 129 HE3 0.11 -0.04 -0.12 -0.04 7.59 7.50 2ch9A1 TRP 129 HZ2 -0.03 0.12 -0.04 -0.04 7.44 7.46 2ch9A1 TRP 129 HZ3 -0.08 -0.00 -0.09 -0.04 7.13 6.92 2ch9A1 TRP 129 HH2 -0.10 -0.01 -0.05 -0.04 7.19 6.98 2ch9A1 VAL 130 H -0.10 0.79 0.38 -0.55 8.24 8.76 2ch9A1 VAL 130 HA -0.25 0.24 1.12 -0.75 4.13 4.49 2ch9A1 VAL 130 HB 0.12 -0.05 0.18 -0.04 2.12 2.32 2ch9A1 VAL 130 HG13 0.02 -0.01 -0.05 -0.04 0.97 0.89 2ch9A1 VAL 130 HG23 0.22 0.01 -0.18 -0.04 0.95 0.96 2ch9A1 VAL 131 H -0.50 0.75 0.17 -0.55 8.24 8.11 2ch9A1 VAL 131 HA -1.00 0.14 0.99 -0.75 4.13 3.51 2ch9A1 VAL 131 HB -0.73 -0.03 0.20 -0.04 2.12 1.51 2ch9A1 VAL 131 HG13 -1.44 -0.04 0.05 -0.04 0.97 -0.51 2ch9A1 VAL 131 HG23 -1.38 0.04 -0.11 -0.04 0.95 -0.54 2ch9A1 PRO 132 HA -0.08 0.09 0.33 -0.51 4.44 4.27 2ch9A1 PRO 132 HB2 0.19 0.04 0.01 -0.04 2.28 2.48 2ch9A1 PRO 132 HB3 0.06 0.06 0.07 -0.04 2.02 2.17 2ch9A1 PRO 132 HG2 0.12 0.05 0.04 -0.04 2.03 2.19 2ch9A1 PRO 132 HG3 0.00 0.05 -0.00 -0.04 2.03 2.04 2ch9A1 PRO 132 HD2 -0.36 0.07 0.16 -0.04 3.68 3.51 2ch9A1 PRO 132 HD3 -0.32 0.30 -0.17 -0.04 3.65 3.41 2ch9A1 TRP 133 H -0.27 0.11 -0.17 -0.55 7.97 7.10 2ch9A1 TRP 133 HA -0.00 0.16 0.58 -0.75 4.62 4.60 2ch9A1 TRP 133 HB2 -0.00 0.05 0.10 -0.04 3.23 3.34 2ch9A1 TRP 133 HB3 -0.00 -0.01 0.07 -0.04 3.23 3.24 2ch9A1 TRP 133 HD1 -0.01 0.04 -0.16 -0.04 7.22 7.05 2ch9A1 TRP 133 HE1 0.00 0.04 -0.07 -0.04 10.20 10.13 2ch9A1 TRP 133 HE3 -0.01 -0.03 0.02 -0.04 7.59 7.54 2ch9A1 TRP 133 HZ2 0.03 0.01 -0.27 -0.04 7.44 7.17 2ch9A1 TRP 133 HZ3 -0.00 -0.00 0.02 -0.04 7.13 7.10 2ch9A1 TRP 133 HH2 0.02 -0.08 -0.04 -0.04 7.19 7.05 2ch9A1 LEU 134 H -0.51 0.26 -0.34 -0.55 8.37 7.23 2ch9A1 LEU 134 HA -0.04 0.23 0.90 -0.75 4.35 4.69 2ch9A1 LEU 134 HB2 -0.38 0.01 0.08 -0.04 1.64 1.30 2ch9A1 LEU 134 HB3 -0.15 0.02 0.16 -0.04 1.64 1.62 2ch9A1 LEU 134 HG -0.31 -0.11 -0.17 -0.04 1.64 1.01 2ch9A1 LEU 134 HD13 -0.11 0.00 -0.00 -0.04 0.93 0.78 2ch9A1 LEU 134 HD23 0.09 0.04 -0.04 -0.04 0.89 0.95 2ch9A1 GLN 135 H -0.09 0.24 -0.29 -0.55 8.47 7.78 2ch9A1 GLN 135 HA -0.02 -0.01 0.29 -0.75 4.36 3.86 2ch9A1 GLN 135 HB2 -0.01 0.11 -0.05 -0.04 2.15 2.17 2ch9A1 GLN 135 HB3 0.02 -0.04 0.21 -0.04 2.02 2.16 2ch9A1 GLN 135 HG2 0.03 -0.04 0.01 -0.04 2.40 2.36 2ch9A1 GLN 135 HG3 0.02 0.08 0.05 -0.04 2.39 2.50 2ch9A1 GLN 135 HE21 0.02 -0.01 -0.04 -0.04 6.97 6.90 2ch9A1 GLN 135 HE22 0.02 -0.03 -0.02 -0.04 7.69 7.62 2ch9A1 HIS 136 H -0.15 0.33 -0.09 -0.55 8.41 7.96 2ch9A1 HIS 136 HA -0.24 0.20 0.90 -0.75 4.63 4.74 2ch9A1 HIS 136 HB2 -0.24 0.15 -0.14 -0.04 3.26 2.99 2ch9A1 HIS 136 HB3 -0.44 -0.11 0.02 -0.04 3.20 2.63 2ch9A1 HIS 136 HD2 -0.77 -0.09 -0.27 -0.04 6.97 5.80 2ch9A1 HIS 136 HE1 -0.08 -0.02 -0.01 -0.04 7.75 7.60 2ch9A1 PHE 137 H -1.05 0.36 0.25 -0.55 8.34 7.35 2ch9A1 PHE 137 HA -0.47 0.29 0.66 -0.75 4.62 4.34 2ch9A1 PHE 137 HB2 -0.70 0.00 0.10 -0.04 3.15 2.51 2ch9A1 PHE 137 HB3 -0.52 -0.02 0.01 -0.04 3.06 2.49 2ch9A1 PHE 137 HD2 -0.50 -0.01 -0.26 -0.04 7.28 6.47 2ch9A1 PHE 137 HE2 -0.16 0.02 -0.06 -0.04 7.38 7.13 2ch9A1 PHE 137 HZ -0.08 0.01 -0.03 -0.04 7.32 7.17 2ch9A1 GLU 138 H -0.01 0.54 0.36 -0.55 8.60 8.94 2ch9A1 GLU 138 HA -0.17 0.13 0.70 -0.75 4.29 4.20 2ch9A1 GLU 138 HB2 0.31 0.00 0.03 -0.04 2.09 2.39 2ch9A1 GLU 138 HB3 0.16 0.00 -0.11 -0.04 1.99 2.00 2ch9A1 GLU 138 HG2 0.02 0.02 0.06 -0.04 2.34 2.41 2ch9A1 GLU 138 HG3 -0.01 0.07 -0.18 -0.04 2.34 2.17 2ch9A1 VAL 139 H 0.04 0.22 0.04 -0.55 8.24 7.99 2ch9A1 VAL 139 HA 0.10 0.26 1.06 -0.75 4.13 4.80 2ch9A1 VAL 139 HB 0.08 0.00 0.17 -0.04 2.12 2.33 2ch9A1 VAL 139 HG13 0.07 0.01 -0.02 -0.04 0.97 0.99 2ch9A1 VAL 139 HG23 0.15 0.01 -0.26 -0.04 0.95 0.81 2ch9A1 PRO 140 HA 0.04 0.10 0.47 -0.51 4.44 4.54 2ch9A1 PRO 140 HB2 0.01 0.03 -0.03 -0.04 2.28 2.26 2ch9A1 PRO 140 HB3 0.02 0.01 0.05 -0.04 2.02 2.06 2ch9A1 PRO 140 HG2 0.05 0.01 -0.05 -0.04 2.03 2.00 2ch9A1 PRO 140 HG3 0.04 0.01 -0.06 -0.04 2.03 1.99 2ch9A1 PRO 140 HD2 0.12 0.28 0.02 -0.04 3.68 4.05 2ch9A1 PRO 140 HD3 0.15 -0.00 -0.25 -0.04 3.65 3.50 2ch9A1 VAL 141 H 0.05 0.32 -0.10 -0.55 8.24 7.96 2ch9A1 VAL 141 HA 0.06 0.21 0.91 -0.75 4.13 4.56 2ch9A1 VAL 141 HB 0.06 -0.16 0.08 -0.04 2.12 2.06 2ch9A1 VAL 141 HG13 0.19 0.02 -0.19 -0.04 0.97 0.95 2ch9A1 VAL 141 HG23 0.07 0.01 -0.18 -0.04 0.95 0.81 2ch9A1 LEU 142 H 0.07 0.28 0.09 -0.55 8.37 8.26 2ch9A1 LEU 142 HA 0.05 0.24 0.68 -0.75 4.35 4.57 2ch9A1 LEU 142 HB2 0.07 0.06 -0.02 -0.04 1.64 1.71 2ch9A1 LEU 142 HB3 0.08 0.01 0.04 -0.04 1.64 1.73 2ch9A1 LEU 142 HG 0.15 -0.04 -0.30 -0.04 1.64 1.42 2ch9A1 LEU 142 HD13 0.07 -0.00 -0.10 -0.04 0.93 0.86 2ch9A1 LEU 142 HD23 0.18 0.00 -0.12 -0.04 0.89 0.91 2ch9A1 ARG 143 H 0.13 0.75 0.34 -0.55 8.46 9.12 2ch9A1 ARG 143 HA 0.11 0.18 0.96 -0.75 4.34 4.84 2ch9A1 ARG 143 HB2 0.16 -0.08 0.15 -0.04 1.90 2.09 2ch9A1 ARG 143 HB3 0.10 0.03 0.06 -0.04 1.80 1.96 2ch9A1 ARG 143 HG2 0.10 0.09 -0.10 -0.04 1.67 1.71 2ch9A1 ARG 143 HG3 0.18 -0.06 -0.21 -0.04 1.67 1.54 2ch9A1 ARG 143 HD2 0.10 -0.03 -0.04 -0.04 3.22 3.21 2ch9A1 ARG 143 HD3 0.05 0.02 -0.02 -0.04 3.22 3.22 2ch9A1 CYS 144 H 0.13 0.26 0.19 -0.55 8.50 8.53 2ch9A1 CYS 144 HA 0.12 0.32 1.05 -0.75 4.58 5.31 2ch9A1 CYS 144 HB2 0.23 0.02 -0.07 -0.04 2.97 3.12 2ch9A1 CYS 144 HB3 0.06 -0.03 -0.15 -0.04 2.97 2.81 2ch9A1 HIS 145 H 0.15 0.43 0.23 -0.55 8.41 8.68 2ch9A1 HIS 145 HA 0.10 0.14 0.89 -0.75 4.63 5.00 2ch9A1 HIS 145 HB2 0.05 0.03 -0.10 -0.04 3.26 3.21 2ch9A1 HIS 145 HB3 0.05 0.06 0.16 -0.04 3.20 3.42 2ch9A1 HIS 145 HD2 0.03 -0.05 -0.06 -0.04 6.97 6.84 2ch9A1 HIS 145 HE1 -0.16 -0.02 -0.03 -0.04 7.75 7.50 2ch9A1 HIS 146 H 0.01 0.22 0.13 -0.55 8.41 8.23 2ch9A1 HIS 146 HA -0.11 0.22 1.06 -0.75 4.63 5.05 2ch9A1 HIS 146 HB2 0.03 -0.02 0.04 -0.04 3.26 3.27 2ch9A1 HIS 146 HB3 0.01 -0.03 0.14 -0.04 3.20 3.27 2ch9A1 HIS 146 HD2 0.08 0.30 0.17 -0.04 6.97 7.47 2ch9A1 HIS 146 HE1 0.16 -0.06 -0.03 -0.04 7.75 7.78 2ch9A1 HIS 147 H -0.31 0.18 0.10 -0.55 8.41 7.82 2ch9A1 HIS 147 HA -0.50 0.01 0.52 -0.75 4.63 3.91 2ch9A1 HIS 147 HB2 -0.13 -0.04 0.09 -0.04 3.26 3.14 2ch9A1 HIS 147 HB3 -0.25 0.02 0.09 -0.04 3.20 3.02 2ch9A1 HIS 147 HD2 -0.17 0.07 -0.07 -0.04 6.97 6.76 2ch9A1 HIS 147 HE1 -0.11 -0.03 0.02 -0.04 7.75 7.58 2ch9A1 HIS 148 H -0.82 0.07 0.20 -0.55 8.41 7.31 2ch9A1 HIS 148 HA -0.07 0.05 0.37 -0.75 4.63 4.23 2ch9A1 HIS 148 HB2 -0.76 0.05 0.06 -0.04 3.26 2.59 2ch9A1 HIS 148 HB3 -0.05 -0.02 0.04 -0.04 3.20 3.13 2ch9A1 HIS 148 HD2 -0.08 0.10 0.08 -0.04 6.97 7.03 2ch9A1 HIS 148 HE1 0.05 -0.00 0.03 -0.04 7.75 7.78 2ch9A1 HIS 149 H 0.35 0.12 0.12 -0.55 8.41 8.45 2ch9A1 HIS 149 HA 0.04 0.18 0.61 -0.75 4.63 4.70 2ch9A1 HIS 149 HB2 0.09 -0.03 0.16 -0.04 3.26 3.45 2ch9A1 HIS 149 HB3 0.08 -0.01 0.21 -0.04 3.20 3.44 2ch9A1 HIS 149 HD2 -0.00 -0.00 0.03 -0.04 6.97 6.95 2ch9A1 HIS 149 HE1 0.04 0.08 0.03 -0.04 7.75 7.85 2ch9A1 HIS 150 H -0.10 0.37 -0.86 -0.55 8.41 7.27 2ch9A1 HIS 150 HA 0.07 0.18 0.35 -0.75 4.63 4.48 2ch9A1 HIS 150 HB2 0.05 0.02 0.04 -0.04 3.26 3.33 2ch9A1 HIS 150 HB3 0.06 0.07 -0.21 -0.04 3.20 3.08 2ch9A1 HIS 150 HD2 0.04 -0.08 -0.17 -0.04 6.97 6.72 2ch9A1 HIS 150 HE1 0.13 0.01 -0.00 -0.04 7.75 7.85