============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. HIS 5 0.900 43.382 68.789 67.660 -99.200 -91.000 HIS 35 0.900 62.784 20.842 64.355 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2x7aH1 ALA 89 HA 0.04 0.01 0.22 -0.75 4.34 3.86 2x7aH1 ALA 89 HB3 -0.01 -0.02 0.06 -0.04 1.41 1.40 2x7aH1 THR 90 H 0.04 0.15 0.13 -0.55 8.28 8.05 2x7aH1 THR 90 HA 0.15 0.12 0.14 -0.75 4.39 4.03 2x7aH1 THR 90 HB 0.03 -0.02 0.14 -0.04 4.32 4.43 2x7aH1 THR 90 HG23 0.03 0.02 -0.05 -0.04 1.22 1.18 2x7aH1 CYS 91 H 0.01 0.04 -0.19 -0.55 8.50 7.81 2x7aH1 CYS 91 HA 0.02 0.10 0.28 -0.75 4.58 4.22 2x7aH1 CYS 91 HB2 0.00 -0.00 0.07 -0.04 2.97 3.01 2x7aH1 CYS 91 HB3 -0.01 -0.01 0.05 -0.04 2.97 2.97 2x7aH1 ASN 92 H -0.04 0.08 -0.15 -0.55 8.53 7.87 2x7aH1 ASN 92 HA -0.05 0.01 0.48 -0.75 4.76 4.45 2x7aH1 ASN 92 HB2 -0.18 0.23 0.14 -0.04 2.88 3.02 2x7aH1 ASN 92 HB3 -0.19 0.04 -0.02 -0.04 2.79 2.57 2x7aH1 ASN 92 HD21 -0.05 -0.03 0.02 -0.04 7.03 6.92 2x7aH1 ASN 92 HD22 -0.11 0.06 0.02 -0.04 7.74 7.68 2x7aH1 HIS 93 H -0.11 0.46 -0.12 -0.55 8.41 8.10 2x7aH1 HIS 93 HA -0.00 0.02 0.35 -0.75 4.63 4.25 2x7aH1 HIS 93 HB2 -0.00 0.05 0.10 -0.04 3.26 3.37 2x7aH1 HIS 93 HB3 -0.00 -0.02 -0.01 -0.04 3.20 3.13 2x7aH1 HIS 93 HD2 -0.00 0.01 0.02 -0.04 6.97 6.96 2x7aH1 HIS 93 HE1 -0.00 -0.02 -0.02 -0.04 7.75 7.66 2x7aH1 THR 94 H 0.07 0.30 -0.34 -0.55 8.28 7.75 2x7aH1 THR 94 HA 0.05 0.02 0.39 -0.75 4.39 4.09 2x7aH1 THR 94 HB 0.02 0.09 0.17 -0.04 4.32 4.56 2x7aH1 THR 94 HG23 0.02 -0.04 -0.08 -0.04 1.22 1.08 2x7aH1 VAL 95 H 0.01 0.54 0.02 -0.55 8.24 8.27 2x7aH1 VAL 95 HA 0.01 -0.06 0.43 -0.75 4.13 3.75 2x7aH1 VAL 95 HB -0.01 0.17 0.21 -0.04 2.12 2.46 2x7aH1 VAL 95 HG13 -0.00 -0.02 0.09 -0.04 0.97 0.99 2x7aH1 VAL 95 HG23 -0.00 -0.01 0.06 -0.04 0.95 0.95 2x7aH1 ALA 97 HA 0.02 -0.12 0.37 -0.75 4.34 3.86 2x7aH1 ALA 97 HB3 0.02 0.00 0.13 -0.04 1.41 1.52 2x7aH1 LEU 98 H 0.01 0.66 -0.46 -0.55 8.37 8.04 2x7aH1 LEU 98 HA 0.01 -0.06 0.36 -0.75 4.35 3.91 2x7aH1 LEU 98 HB2 0.01 0.17 0.17 -0.04 1.64 1.94 2x7aH1 LEU 98 HB3 0.01 -0.12 0.16 -0.04 1.64 1.65 2x7aH1 LEU 98 HG 0.01 0.11 0.03 -0.04 1.64 1.76 2x7aH1 LEU 98 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.82 2x7aH1 LEU 98 HD23 0.01 -0.04 0.01 -0.04 0.89 0.83 2x7aH1 ALA 100 HA 0.01 -0.10 0.36 -0.75 4.34 3.85 2x7aH1 ALA 100 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 2x7aH1 SER 101 H 0.01 0.71 -0.87 -0.55 8.46 7.76 2x7aH1 SER 101 HA 0.00 -0.02 0.36 -0.75 4.49 4.08 2x7aH1 SER 101 HB2 0.01 0.33 0.10 -0.04 3.95 4.35 2x7aH1 SER 101 HB3 0.00 -0.03 0.03 -0.04 3.93 3.90 2x7aH1 LEU 102 H 0.00 0.74 0.33 -0.55 8.37 8.89 2x7aH1 LEU 102 HA 0.00 0.01 0.61 -0.75 4.35 4.22 2x7aH1 LEU 102 HB2 0.00 0.11 0.19 -0.04 1.64 1.91 2x7aH1 LEU 102 HB3 0.00 0.03 0.08 -0.04 1.64 1.72 2x7aH1 LEU 102 HG 0.00 -0.03 -0.12 -0.04 1.64 1.45 2x7aH1 LEU 102 HD13 0.00 -0.02 0.07 -0.04 0.93 0.94 2x7aH1 LEU 102 HD23 0.00 0.00 0.01 -0.04 0.89 0.87 2x7aH1 ASP 103 H 0.00 0.23 -0.19 -0.55 8.40 7.90 2x7aH1 ASP 103 HA 0.00 0.03 0.52 -0.75 4.63 4.43 2x7aH1 ASP 103 HB2 0.00 0.17 0.18 -0.04 2.71 3.03 2x7aH1 ASP 103 HB3 0.00 -0.02 -0.01 -0.04 2.70 2.63 2x7aH1 ALA 104 H 0.00 0.64 -0.10 -0.55 8.40 8.39 2x7aH1 ALA 104 HA 0.00 -0.02 0.45 -0.75 4.34 4.02 2x7aH1 ALA 104 HB3 0.00 0.06 0.14 -0.04 1.41 1.57 2x7aH1 GLU 105 H 0.00 0.63 -0.02 -0.55 8.60 8.67 2x7aH1 GLU 105 HA 0.00 -0.00 0.47 -0.75 4.29 4.01 2x7aH1 GLU 105 HB2 0.00 0.09 0.19 -0.04 2.09 2.32 2x7aH1 GLU 105 HB3 0.00 0.09 0.20 -0.04 1.99 2.24 2x7aH1 GLU 105 HG2 0.00 -0.00 0.01 -0.04 2.34 2.31 2x7aH1 GLU 105 HG3 0.00 -0.03 -0.16 -0.04 2.34 2.11 2x7aH1 LYS 106 H 0.00 0.53 -0.28 -0.55 8.42 8.11 2x7aH1 LYS 106 HA 0.00 -0.00 0.38 -0.75 4.32 3.94 2x7aH1 LYS 106 HB2 0.00 0.19 0.23 -0.04 1.87 2.25 2x7aH1 LYS 106 HB3 0.00 -0.07 0.01 -0.04 1.79 1.69 2x7aH1 LYS 106 HG2 0.00 -0.06 0.06 -0.04 1.46 1.41 2x7aH1 LYS 106 HG3 0.00 0.07 0.08 -0.04 1.46 1.57 2x7aH1 LYS 106 HD2 0.00 0.03 -0.02 -0.04 1.69 1.66 2x7aH1 LYS 106 HD3 0.00 -0.04 0.01 -0.04 1.68 1.61 2x7aH1 LYS 106 HE2 0.00 -0.03 -0.00 -0.04 2.99 2.92 2x7aH1 LYS 106 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 2x7aH1 ALA 107 H 0.00 0.48 -0.16 -0.55 8.40 8.18 2x7aH1 ALA 107 HA 0.00 0.02 0.55 -0.75 4.34 4.16 2x7aH1 ALA 107 HB3 0.00 0.02 0.11 -0.04 1.41 1.50 2x7aH1 GLN 108 H 0.00 0.73 0.08 -0.55 8.47 8.74 2x7aH1 GLN 108 HA 0.00 0.01 0.52 -0.75 4.36 4.14 2x7aH1 GLN 108 HB2 0.00 -0.04 0.13 -0.04 2.15 2.20 2x7aH1 GLN 108 HB3 0.00 0.21 0.19 -0.04 2.02 2.38 2x7aH1 GLN 108 HG2 0.00 0.07 -0.27 -0.04 2.40 2.16 2x7aH1 GLN 108 HG3 0.00 -0.09 -0.08 -0.04 2.39 2.18 2x7aH1 GLN 108 HE21 0.00 -0.01 -0.01 -0.04 6.97 6.91 2x7aH1 GLN 108 HE22 0.00 0.00 -0.04 -0.04 7.69 7.61 2x7aH1 GLY 109 H 0.00 0.40 -0.42 -0.55 8.43 7.86 2x7aH1 GLY 109 HA2 0.00 0.02 0.48 -0.51 4.01 4.00 2x7aH1 GLY 109 HA3 0.00 0.12 0.29 -0.51 4.01 3.91 2x7aH1 GLN 110 H 0.00 0.55 0.02 -0.55 8.47 8.49 2x7aH1 GLN 110 HA 0.00 0.01 0.54 -0.75 4.36 4.16 2x7aH1 GLN 110 HB2 0.00 0.16 0.22 -0.04 2.15 2.50 2x7aH1 GLN 110 HB3 0.00 0.05 0.16 -0.04 2.02 2.19 2x7aH1 GLN 110 HG2 0.00 0.01 0.05 -0.04 2.40 2.41 2x7aH1 GLN 110 HG3 0.00 -0.03 -0.03 -0.04 2.39 2.29 2x7aH1 GLN 110 HE21 0.00 -0.01 0.05 -0.04 6.97 6.97 2x7aH1 GLN 110 HE22 0.00 -0.01 0.05 -0.04 7.69 7.69 2x7aH1 LYS 111 H 0.00 0.50 -0.24 -0.55 8.42 8.13 2x7aH1 LYS 111 HA 0.00 0.02 0.44 -0.75 4.32 4.03 2x7aH1 LYS 111 HB2 0.00 -0.03 0.09 -0.04 1.87 1.88 2x7aH1 LYS 111 HB3 0.00 0.23 0.18 -0.04 1.79 2.16 2x7aH1 LYS 111 HG2 0.00 0.07 -0.23 -0.04 1.46 1.25 2x7aH1 LYS 111 HG3 0.00 -0.08 -0.09 -0.04 1.46 1.25 2x7aH1 LYS 111 HD2 0.00 0.03 0.01 -0.04 1.69 1.68 2x7aH1 LYS 111 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.63 2x7aH1 LYS 111 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 2x7aH1 LYS 111 HE3 -0.00 -0.02 -0.01 -0.04 2.99 2.91 2x7aH1 LYS 112 H 0.00 0.49 -0.11 -0.55 8.42 8.24 2x7aH1 LYS 112 HA 0.00 0.00 0.54 -0.75 4.32 4.10 2x7aH1 LYS 112 HB2 0.00 0.14 0.21 -0.04 1.87 2.18 2x7aH1 LYS 112 HB3 0.00 0.10 0.18 -0.04 1.79 2.02 2x7aH1 LYS 112 HG2 0.00 0.00 0.03 -0.04 1.46 1.45 2x7aH1 LYS 112 HG3 0.00 -0.03 -0.09 -0.04 1.46 1.30 2x7aH1 LYS 112 HD2 0.00 -0.07 0.16 -0.04 1.69 1.74 2x7aH1 LYS 112 HD3 0.00 0.02 0.07 -0.04 1.68 1.73 2x7aH1 LYS 112 HE2 0.00 0.02 0.02 -0.04 2.99 2.99 2x7aH1 LYS 112 HE3 0.00 -0.02 0.02 -0.04 2.99 2.95 2x7aH1 VAL 113 H 0.00 0.57 -0.17 -0.55 8.24 8.09 2x7aH1 VAL 113 HA 0.00 0.01 0.39 -0.75 4.13 3.77 2x7aH1 VAL 113 HB 0.00 0.12 0.18 -0.04 2.12 2.38 2x7aH1 VAL 113 HG13 0.00 -0.02 -0.14 -0.04 0.97 0.77 2x7aH1 VAL 113 HG23 0.00 0.04 0.06 -0.04 0.95 1.01 2x7aH1 GLU 114 H 0.00 0.59 -0.10 -0.55 8.60 8.54 2x7aH1 GLU 114 HA 0.00 -0.01 0.36 -0.75 4.29 3.89 2x7aH1 GLU 114 HB2 -0.00 0.20 0.20 -0.04 2.09 2.45 2x7aH1 GLU 114 HB3 -0.00 0.07 0.14 -0.04 1.99 2.15 2x7aH1 GLU 114 HG2 -0.00 -0.02 -0.04 -0.04 2.34 2.24 2x7aH1 GLU 114 HG3 -0.00 -0.05 0.07 -0.04 2.34 2.32 2x7aH1 GLU 115 H 0.00 0.61 -0.20 -0.55 8.60 8.47 2x7aH1 GLU 115 HA 0.00 -0.01 0.47 -0.75 4.29 4.00 2x7aH1 GLU 115 HB2 0.00 0.22 0.26 -0.04 2.09 2.53 2x7aH1 GLU 115 HB3 0.00 -0.07 0.04 -0.04 1.99 1.91 2x7aH1 GLU 115 HG2 0.00 -0.08 0.07 -0.04 2.34 2.29 2x7aH1 GLU 115 HG3 0.00 0.31 0.12 -0.04 2.34 2.72 2x7aH1 LEU 116 H 0.00 0.62 -0.00 -0.55 8.37 8.44 2x7aH1 LEU 116 HA 0.00 -0.04 0.44 -0.75 4.35 4.00 2x7aH1 LEU 116 HB2 0.00 0.18 0.24 -0.04 1.64 2.02 2x7aH1 LEU 116 HB3 0.00 -0.04 -0.00 -0.04 1.64 1.56 2x7aH1 LEU 116 HG 0.00 -0.05 0.07 -0.04 1.64 1.62 2x7aH1 LEU 116 HD13 0.00 0.00 0.04 -0.04 0.93 0.93 2x7aH1 LEU 116 HD23 0.00 0.01 -0.01 -0.04 0.89 0.85 2x7aH1 GLU 117 H 0.00 0.61 -0.26 -0.55 8.60 8.41 2x7aH1 GLU 117 HA 0.00 0.03 0.57 -0.75 4.29 4.13 2x7aH1 GLU 117 HB2 0.00 0.12 0.11 -0.04 2.09 2.28 2x7aH1 GLU 117 HB3 0.00 -0.05 0.03 -0.04 1.99 1.93 2x7aH1 GLU 117 HG2 0.00 -0.04 0.02 -0.04 2.34 2.28 2x7aH1 GLU 117 HG3 0.00 0.03 -0.03 -0.04 2.34 2.30 2x7aH1 GLY 118 H 0.00 0.48 -0.20 -0.55 8.43 8.17 2x7aH1 GLY 118 HA2 -0.00 0.02 0.55 -0.51 4.01 4.07 2x7aH1 GLY 118 HA3 -0.00 0.10 0.37 -0.51 4.01 3.97 2x7aH1 GLU 119 H 0.00 0.50 0.01 -0.55 8.60 8.57 2x7aH1 GLU 119 HA 0.01 0.01 0.54 -0.75 4.29 4.10 2x7aH1 GLU 119 HB2 0.00 0.12 0.19 -0.04 2.09 2.37 2x7aH1 GLU 119 HB3 0.01 -0.03 0.01 -0.04 1.99 1.93 2x7aH1 GLU 119 HG2 0.00 -0.04 0.06 -0.04 2.34 2.32 2x7aH1 GLU 119 HG3 0.00 0.13 0.05 -0.04 2.34 2.48 2x7aH1 ILE 120 H 0.01 0.53 -0.12 -0.55 8.25 8.12 2x7aH1 ILE 120 HA 0.01 -0.02 0.37 -0.75 4.18 3.78 2x7aH1 ILE 120 HB 0.01 0.12 0.15 -0.04 1.89 2.12 2x7aH1 ILE 120 HG12 0.01 -0.04 0.05 -0.04 1.49 1.46 2x7aH1 ILE 120 HG13 0.01 -0.04 0.09 -0.04 1.21 1.22 2x7aH1 ILE 120 HG23 0.01 -0.01 -0.15 -0.04 0.93 0.74 2x7aH1 ILE 120 HD13 0.00 0.04 -0.01 -0.04 0.88 0.88 2x7aH1 THR 121 H 0.01 0.31 -0.55 -0.55 8.28 7.50 2x7aH1 THR 121 HA 0.02 0.02 0.53 -0.75 4.39 4.20 2x7aH1 THR 121 HB 0.00 0.13 0.27 -0.04 4.32 4.69 2x7aH1 THR 121 HG23 -0.01 -0.02 -0.11 -0.04 1.22 1.04 2x7aH1 THR 122 H 0.01 0.59 0.12 -0.55 8.28 8.45 2x7aH1 THR 122 HA 0.03 -0.03 0.47 -0.75 4.39 4.11 2x7aH1 THR 122 HB 0.02 0.11 0.27 -0.04 4.32 4.68 2x7aH1 THR 122 HG23 0.03 -0.02 -0.06 -0.04 1.22 1.13 2x7aH1 LEU 123 H 0.02 0.70 -0.07 -0.55 8.37 8.48 2x7aH1 LEU 123 HA 0.03 -0.05 0.27 -0.75 4.35 3.84 2x7aH1 LEU 123 HB2 0.02 0.10 0.08 -0.04 1.64 1.79 2x7aH1 LEU 123 HB3 0.01 -0.03 -0.06 -0.04 1.64 1.53 2x7aH1 LEU 123 HG 0.01 -0.00 0.04 -0.04 1.64 1.64 2x7aH1 LEU 123 HD13 0.01 -0.01 -0.11 -0.04 0.93 0.78 2x7aH1 LEU 123 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.83 2x7aH1 ASN 124 H 0.03 0.64 -0.11 -0.55 8.53 8.55 2x7aH1 ASN 124 HA 0.02 -0.02 0.48 -0.75 4.76 4.48 2x7aH1 ASN 124 HB2 0.03 0.24 0.25 -0.04 2.88 3.36 2x7aH1 ASN 124 HB3 0.03 -0.06 0.01 -0.04 2.79 2.73 2x7aH1 ASN 124 HD21 0.01 -0.06 0.02 -0.04 7.03 6.96 2x7aH1 ASN 124 HD22 0.02 0.04 0.02 -0.04 7.74 7.77 2x7aH1 HIS 125 H 0.12 0.62 -0.16 -0.55 8.41 8.44 2x7aH1 HIS 125 HA 0.00 0.02 0.60 -0.75 4.63 4.50 2x7aH1 HIS 125 HB2 0.00 0.02 0.15 -0.04 3.26 3.39 2x7aH1 HIS 125 HB3 0.00 0.17 0.31 -0.04 3.20 3.64 2x7aH1 HIS 125 HD2 0.00 0.01 0.04 -0.04 6.97 6.97 2x7aH1 HIS 125 HE1 0.00 -0.01 -0.02 -0.04 7.75 7.68 2x7aH1 LYS 126 H 0.10 0.63 0.16 -0.55 8.42 8.76 2x7aH1 LYS 126 HA -0.13 -0.06 0.33 -0.75 4.32 3.71 2x7aH1 LYS 126 HB2 0.01 -0.05 0.15 -0.04 1.87 1.93 2x7aH1 LYS 126 HB3 0.08 0.01 0.12 -0.04 1.79 1.95 2x7aH1 LYS 126 HG2 0.03 0.07 -0.04 -0.04 1.46 1.49 2x7aH1 LYS 126 HG3 0.01 0.03 -0.17 -0.04 1.46 1.28 2x7aH1 LYS 126 HD2 0.02 -0.01 -0.04 -0.04 1.69 1.62 2x7aH1 LYS 126 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 2x7aH1 LYS 126 HE2 0.05 -0.01 0.00 -0.04 2.99 2.99 2x7aH1 LYS 126 HE3 0.04 0.00 -0.10 -0.04 2.99 2.90 2x7aH1 LEU 127 H -0.01 0.51 -0.56 -0.55 8.37 7.77 2x7aH1 LEU 127 HA -0.02 0.03 0.69 -0.75 4.35 4.29 2x7aH1 LEU 127 HB2 -0.00 0.03 0.08 -0.04 1.64 1.70 2x7aH1 LEU 127 HB3 -0.01 0.13 0.15 -0.04 1.64 1.87 2x7aH1 LEU 127 HG -0.01 -0.02 -0.24 -0.04 1.64 1.32 2x7aH1 LEU 127 HD13 -0.01 -0.02 0.07 -0.04 0.93 0.93 2x7aH1 LEU 127 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.82 2x7aH1 GLN 128 H -0.07 0.59 0.01 -0.55 8.47 8.45 2x7aH1 GLN 128 HA -0.04 0.02 0.48 -0.75 4.36 4.07 2x7aH1 GLN 128 HB2 -0.04 -0.07 0.14 -0.04 2.15 2.14 2x7aH1 GLN 128 HB3 -0.04 0.19 0.26 -0.04 2.02 2.39 2x7aH1 GLN 128 HG2 -0.24 0.24 0.24 -0.04 2.40 2.60 2x7aH1 GLN 128 HG3 -0.11 -0.09 -0.20 -0.04 2.39 1.94 2x7aH1 GLN 128 HE21 0.12 -0.03 0.02 -0.04 6.97 7.05 2x7aH1 GLN 128 HE22 -0.09 -0.03 0.01 -0.04 7.69 7.54 2x7aH1 ASP 129 H -0.19 0.52 -0.01 -0.55 8.40 8.17 2x7aH1 ASP 129 HA -0.11 0.04 0.49 -0.75 4.63 4.30 2x7aH1 ASP 129 HB2 -0.16 0.02 0.14 -0.04 2.71 2.67 2x7aH1 ASP 129 HB3 -0.08 0.01 -0.01 -0.04 2.70 2.58 2x7aH1 ALA 130 H -0.06 0.44 -0.07 -0.55 8.40 8.18 2x7aH1 ALA 130 HA -0.03 -0.01 0.46 -0.75 4.34 4.00 2x7aH1 ALA 130 HB3 -0.02 0.03 0.12 -0.04 1.41 1.50 2x7aH1 SER 131 H -0.04 0.35 -0.56 -0.55 8.46 7.67 2x7aH1 SER 131 HA -0.02 -0.01 0.33 -0.75 4.49 4.04 2x7aH1 SER 131 HB2 -0.03 0.37 0.30 -0.04 3.95 4.54 2x7aH1 SER 131 HB3 -0.02 -0.02 0.06 -0.04 3.93 3.91 2x7aH1 ALA 132 H -0.03 0.77 0.04 -0.55 8.40 8.63 2x7aH1 ALA 132 HA -0.02 0.02 0.59 -0.75 4.34 4.18 2x7aH1 ALA 132 HB3 -0.02 0.01 0.15 -0.04 1.41 1.51 2x7aH1 GLU 133 H -0.02 0.58 -0.06 -0.55 8.60 8.55 2x7aH1 GLU 133 HA -0.01 -0.02 0.49 -0.75 4.29 3.99 2x7aH1 GLU 133 HB2 -0.02 -0.02 0.11 -0.04 2.09 2.13 2x7aH1 GLU 133 HB3 -0.02 0.18 0.19 -0.04 1.99 2.30 2x7aH1 GLU 133 HG2 -0.01 -0.01 -0.02 -0.04 2.34 2.25 2x7aH1 GLU 133 HG3 -0.01 -0.03 -0.14 -0.04 2.34 2.12 2x7aH1 VAL 134 H -0.01 0.57 -0.19 -0.55 8.24 8.05 2x7aH1 VAL 134 HA -0.01 -0.01 0.51 -0.75 4.13 3.87 2x7aH1 VAL 134 HB -0.01 0.15 0.16 -0.04 2.12 2.38 2x7aH1 VAL 134 HG13 -0.01 -0.02 -0.12 -0.04 0.97 0.79 2x7aH1 VAL 134 HG23 -0.01 -0.01 0.03 -0.04 0.95 0.93 2x7aH1 GLU 135 H -0.01 0.33 -0.25 -0.55 8.60 8.12 2x7aH1 GLU 135 HA -0.01 0.02 0.51 -0.75 4.29 4.06 2x7aH1 GLU 135 HB2 -0.01 0.03 0.17 -0.04 2.09 2.23 2x7aH1 GLU 135 HB3 -0.01 0.08 0.26 -0.04 1.99 2.28 2x7aH1 GLU 135 HG2 -0.01 -0.06 0.01 -0.04 2.34 2.24 2x7aH1 GLU 135 HG3 -0.01 0.03 -0.14 -0.04 2.34 2.18 2x7aH1 ARG 136 H -0.01 0.69 0.09 -0.55 8.46 8.68 2x7aH1 ARG 136 HA -0.00 0.03 0.47 -0.75 4.34 4.08 2x7aH1 ARG 136 HB2 -0.01 -0.04 0.11 -0.04 1.90 1.92 2x7aH1 ARG 136 HB3 -0.01 0.04 0.17 -0.04 1.80 1.97 2x7aH1 ARG 136 HG2 -0.00 -0.02 0.04 -0.04 1.67 1.65 2x7aH1 ARG 136 HG3 -0.00 0.00 0.00 -0.04 1.67 1.63 2x7aH1 ARG 136 HD2 -0.00 0.10 -0.98 -0.04 3.22 2.29 2x7aH1 ARG 136 HD3 -0.00 -0.05 -0.11 -0.04 3.22 3.02 2x7aH1 LEU 137 H -0.01 0.51 -0.13 -0.55 8.37 8.20 2x7aH1 LEU 137 HA -0.00 -0.03 0.49 -0.75 4.35 4.05 2x7aH1 LEU 137 HB2 -0.01 0.06 0.17 -0.04 1.64 1.82 2x7aH1 LEU 137 HB3 -0.00 -0.07 0.05 -0.04 1.64 1.57 2x7aH1 LEU 137 HG -0.01 0.29 0.16 -0.04 1.64 2.03 2x7aH1 LEU 137 HD13 -0.00 -0.03 -0.01 -0.04 0.93 0.84 2x7aH1 LEU 137 HD23 -0.00 -0.03 -0.00 -0.04 0.89 0.81 2x7aH1 ARG 138 H -0.00 0.55 -0.14 -0.55 8.46 8.31 2x7aH1 ARG 138 HA -0.00 -0.07 0.20 -0.75 4.34 3.71 2x7aH1 ARG 138 HB2 -0.00 -0.14 0.00 -0.04 1.90 1.72 2x7aH1 ARG 138 HB3 -0.00 0.23 0.17 -0.04 1.80 2.15 2x7aH1 ARG 138 HG2 -0.00 0.69 -0.20 -0.04 1.67 2.12 2x7aH1 ARG 138 HG3 -0.00 -0.19 -0.88 -0.04 1.67 0.56 2x7aH1 ARG 138 HD2 -0.00 -0.06 0.05 -0.04 3.22 3.16 2x7aH1 ARG 138 HD3 -0.00 -0.02 0.00 -0.04 3.22 3.16 2x7aH1 ARG 139 HA -0.00 -0.08 0.63 -0.75 4.34 4.13 2x7aH1 GLU 140 H -0.00 0.69 0.01 -0.55 8.60 8.74 2x7aH1 GLU 140 HA -0.00 -0.05 0.35 -0.75 4.29 3.83 2x7aH1 GLU 140 HB2 -0.00 0.11 0.23 -0.04 2.09 2.39 2x7aH1 GLU 140 HB3 -0.00 -0.10 0.03 -0.04 1.99 1.88 2x7aH1 GLU 140 HG2 -0.00 -0.09 0.04 -0.04 2.34 2.25 2x7aH1 GLU 140 HG3 -0.00 0.36 0.09 -0.04 2.34 2.74 2x7aH1 ASN 141 H -0.00 0.55 -0.11 -0.55 8.53 8.41 2x7aH1 ASN 141 HA -0.00 -0.01 0.44 -0.75 4.76 4.43 2x7aH1 ASN 141 HB2 -0.00 0.09 0.15 -0.04 2.88 3.08 2x7aH1 ASN 141 HB3 -0.00 -0.04 -0.02 -0.04 2.79 2.69 2x7aH1 ASN 141 HD21 -0.00 -0.08 -0.02 -0.04 7.03 6.88 2x7aH1 ASN 141 HD22 -0.00 0.02 -0.05 -0.04 7.74 7.66 2x7aH1 GLN 142 H -0.00 0.19 -0.39 -0.55 8.47 7.72 2x7aH1 GLN 142 HA -0.00 0.03 0.39 -0.75 4.36 4.02