============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TYR 31 0.840 10.617 75.290 8.430 -99.200 -91.000 TYR 44 0.840 8.693 96.285 10.143 -99.200 -91.000 HIS 58 0.900 -5.223 75.305 13.044 -99.200 -91.000 PHE 85 1.000 3.005 96.500 7.321 -99.200 -91.000 PHE 89 1.000 2.949 85.689 18.939 -99.200 -91.000 PHE 92 1.000 10.768 77.848 13.496 -99.200 -91.000 TYR 98 0.840 3.622 74.614 17.986 -99.200 -91.000 TYR 102 0.840 3.758 101.807 10.186 -99.200 -91.000 TYR 109 0.840 4.627 91.911 8.072 -99.200 -91.000 TYR 110 0.840 7.020 89.307 16.461 -99.200 -91.000 PHE 145 1.000 -2.371 39.235 0.844 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jj1G1 ALA 1 HA 0.00 0.01 0.21 -0.75 4.34 3.81 2jj1G1 ALA 1 HB3 0.01 -0.03 0.08 -0.04 1.41 1.42 2jj1G1 THR 2 H 0.01 0.06 0.14 -0.55 8.28 7.95 2jj1G1 THR 2 HA -0.01 0.26 0.67 -0.75 4.39 4.56 2jj1G1 THR 2 HB 0.02 -0.27 0.01 -0.04 4.32 4.03 2jj1G1 THR 2 HG23 -0.00 0.02 0.07 -0.04 1.22 1.27 2jj1G1 LEU 3 H -0.02 0.23 0.17 -0.55 8.37 8.20 2jj1G1 LEU 3 HA 0.03 0.12 0.43 -0.75 4.35 4.17 2jj1G1 LEU 3 HB2 -0.00 -0.03 0.14 -0.04 1.64 1.70 2jj1G1 LEU 3 HB3 0.05 0.05 0.03 -0.04 1.64 1.72 2jj1G1 LEU 3 HG -0.12 -0.01 0.07 -0.04 1.64 1.54 2jj1G1 LEU 3 HD13 -0.11 0.02 0.02 -0.04 0.93 0.82 2jj1G1 LEU 3 HD23 -0.60 0.01 0.01 -0.04 0.89 0.27 2jj1G1 LYS 4 H 0.04 0.07 -0.19 -0.55 8.42 7.78 2jj1G1 LYS 4 HA 0.07 0.11 0.41 -0.75 4.32 4.15 2jj1G1 LYS 4 HB2 0.03 -0.01 0.09 -0.04 1.87 1.94 2jj1G1 LYS 4 HB3 0.03 0.01 -0.00 -0.04 1.79 1.78 2jj1G1 LYS 4 HG2 0.02 0.04 -0.01 -0.04 1.46 1.46 2jj1G1 LYS 4 HG3 0.03 0.01 -0.00 -0.04 1.46 1.46 2jj1G1 LYS 4 HD2 0.04 -0.04 0.01 -0.04 1.69 1.65 2jj1G1 LYS 4 HD3 0.02 0.03 0.01 -0.04 1.68 1.70 2jj1G1 LYS 4 HE2 0.03 -0.01 0.01 -0.04 2.99 2.97 2jj1G1 LYS 4 HE3 0.02 0.03 -0.00 -0.04 2.99 3.00 2jj1G1 ASP 5 H 0.04 0.05 -0.17 -0.55 8.40 7.77 2jj1G1 ASP 5 HA 0.03 0.06 0.48 -0.75 4.63 4.44 2jj1G1 ASP 5 HB2 0.03 0.11 0.20 -0.04 2.71 3.01 2jj1G1 ASP 5 HB3 0.02 0.07 0.02 -0.04 2.70 2.77 2jj1G1 ILE 6 H 0.08 0.54 -0.06 -0.55 8.25 8.25 2jj1G1 ILE 6 HA 0.06 0.02 0.33 -0.75 4.18 3.84 2jj1G1 ILE 6 HB 0.24 0.05 0.08 -0.04 1.89 2.23 2jj1G1 ILE 6 HG12 0.07 -0.01 -0.03 -0.04 1.49 1.48 2jj1G1 ILE 6 HG13 0.06 -0.04 -0.02 -0.04 1.21 1.17 2jj1G1 ILE 6 HG23 0.18 -0.02 -0.06 -0.04 0.93 0.99 2jj1G1 ILE 6 HD13 0.05 0.00 -0.28 -0.04 0.88 0.62 2jj1G1 THR 7 H 0.13 0.51 -0.19 -0.55 8.28 8.18 2jj1G1 THR 7 HA -0.09 0.03 0.39 -0.75 4.39 3.97 2jj1G1 THR 7 HB 0.05 0.06 0.12 -0.04 4.32 4.51 2jj1G1 THR 7 HG23 -0.05 -0.02 -0.01 -0.04 1.22 1.10 2jj1G1 ARG 8 H 0.02 0.41 -0.27 -0.55 8.46 8.07 2jj1G1 ARG 8 HA -0.01 0.04 0.56 -0.75 4.34 4.19 2jj1G1 ARG 8 HB2 0.01 0.13 0.17 -0.04 1.90 2.17 2jj1G1 ARG 8 HB3 0.01 0.02 0.12 -0.04 1.80 1.91 2jj1G1 ARG 8 HG2 -0.00 -0.07 0.04 -0.04 1.67 1.59 2jj1G1 ARG 8 HG3 0.00 -0.00 0.04 -0.04 1.67 1.68 2jj1G1 ARG 8 HD2 0.00 -0.00 0.00 -0.04 3.22 3.18 2jj1G1 ARG 8 HD3 0.01 0.02 0.02 -0.04 3.22 3.22 2jj1G1 ARG 9 H 0.01 0.57 0.12 -0.55 8.46 8.61 2jj1G1 ARG 9 HA 0.00 -0.02 0.43 -0.75 4.34 4.00 2jj1G1 ARG 9 HB2 0.02 0.08 0.11 -0.04 1.90 2.06 2jj1G1 ARG 9 HB3 0.01 -0.01 0.00 -0.04 1.80 1.75 2jj1G1 ARG 9 HG2 0.01 -0.04 0.07 -0.04 1.67 1.66 2jj1G1 ARG 9 HG3 0.02 0.09 0.04 -0.04 1.67 1.77 2jj1G1 ARG 9 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.16 2jj1G1 ARG 9 HD3 0.02 0.02 -0.02 -0.04 3.22 3.19 2jj1G1 LEU 10 H -0.01 0.49 -0.51 -0.55 8.37 7.80 2jj1G1 LEU 10 HA -0.03 0.01 0.50 -0.75 4.35 4.08 2jj1G1 LEU 10 HB2 -0.08 0.18 0.16 -0.04 1.64 1.86 2jj1G1 LEU 10 HB3 -0.09 -0.05 -0.03 -0.04 1.64 1.44 2jj1G1 LEU 10 HG -0.03 -0.03 -0.03 -0.04 1.64 1.51 2jj1G1 LEU 10 HD13 -0.18 -0.00 -0.15 -0.04 0.93 0.56 2jj1G1 LEU 10 HD23 -0.06 -0.01 0.00 -0.04 0.89 0.78 2jj1G1 LYS 11 H -0.03 0.45 0.05 -0.55 8.42 8.33 2jj1G1 LYS 11 HA -0.03 -0.00 0.38 -0.75 4.32 3.92 2jj1G1 LYS 11 HB2 -0.02 0.11 0.31 -0.04 1.87 2.22 2jj1G1 LYS 11 HB3 -0.02 -0.04 0.01 -0.04 1.79 1.70 2jj1G1 LYS 11 HG2 -0.03 -0.04 0.09 -0.04 1.46 1.45 2jj1G1 LYS 11 HG3 -0.03 0.05 0.08 -0.04 1.46 1.52 2jj1G1 LYS 11 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.65 2jj1G1 LYS 11 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.61 2jj1G1 LYS 11 HE2 -0.02 -0.01 0.02 -0.04 2.99 2.94 2jj1G1 LYS 11 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 2jj1G1 SER 12 H -0.01 0.51 -0.12 -0.55 8.46 8.29 2jj1G1 SER 12 HA -0.01 0.06 0.56 -0.75 4.49 4.35 2jj1G1 SER 12 HB2 -0.00 -0.04 0.04 -0.04 3.95 3.91 2jj1G1 SER 12 HB3 -0.00 -0.00 0.07 -0.04 3.93 3.96 2jj1G1 ILE 13 H -0.01 0.54 -0.04 -0.55 8.25 8.19 2jj1G1 ILE 13 HA -0.01 -0.02 0.58 -0.75 4.18 3.98 2jj1G1 ILE 13 HB -0.01 0.17 0.13 -0.04 1.89 2.14 2jj1G1 ILE 13 HG12 -0.00 -0.07 0.03 -0.04 1.49 1.41 2jj1G1 ILE 13 HG13 -0.00 0.01 0.08 -0.04 1.21 1.26 2jj1G1 ILE 13 HG23 -0.00 -0.02 0.05 -0.04 0.93 0.92 2jj1G1 ILE 13 HD13 0.00 -0.00 0.01 -0.04 0.88 0.84 2jj1G1 LYS 14 H -0.02 0.48 -0.24 -0.55 8.42 8.08 2jj1G1 LYS 14 HA -0.01 0.07 0.70 -0.75 4.32 4.32 2jj1G1 LYS 14 HB2 -0.02 0.15 0.12 -0.04 1.87 2.07 2jj1G1 LYS 14 HB3 -0.02 -0.05 -0.01 -0.04 1.79 1.67 2jj1G1 LYS 14 HG2 -0.02 -0.05 0.04 -0.04 1.46 1.38 2jj1G1 LYS 14 HG3 -0.03 0.15 0.04 -0.04 1.46 1.58 2jj1G1 LYS 14 HD2 -0.04 0.01 -0.04 -0.04 1.69 1.57 2jj1G1 LYS 14 HD3 -0.03 -0.04 -0.01 -0.04 1.68 1.56 2jj1G1 LYS 14 HE2 -0.05 -0.03 -0.02 -0.04 2.99 2.86 2jj1G1 LYS 14 HE3 -0.06 0.01 -0.03 -0.04 2.99 2.87 2jj1G1 ASN 15 H -0.01 0.33 -0.17 -0.55 8.53 8.13 2jj1G1 ASN 15 HA -0.01 0.04 0.58 -0.75 4.76 4.62 2jj1G1 ASN 15 HB2 -0.01 0.16 0.33 -0.04 2.88 3.32 2jj1G1 ASN 15 HB3 -0.01 -0.06 0.03 -0.04 2.79 2.72 2jj1G1 ASN 15 HD21 -0.01 -0.04 0.02 -0.04 7.03 6.96 2jj1G1 ASN 15 HD22 -0.01 -0.02 0.04 -0.04 7.74 7.71 2jj1G1 ILE 16 H -0.01 0.67 0.09 -0.55 8.25 8.46 2jj1G1 ILE 16 HA -0.00 -0.02 0.38 -0.75 4.18 3.79 2jj1G1 ILE 16 HB -0.00 0.04 0.20 -0.04 1.89 2.08 2jj1G1 ILE 16 HG12 -0.00 -0.05 0.06 -0.04 1.49 1.45 2jj1G1 ILE 16 HG13 -0.00 0.12 0.10 -0.04 1.21 1.38 2jj1G1 ILE 16 HG23 -0.00 -0.00 -0.12 -0.04 0.93 0.76 2jj1G1 ILE 16 HD13 -0.00 -0.01 -0.03 -0.04 0.88 0.80 2jj1G1 GLN 17 H -0.01 0.40 -0.34 -0.55 8.47 7.98 2jj1G1 GLN 17 HA -0.00 -0.01 0.38 -0.75 4.36 3.97 2jj1G1 GLN 17 HB2 -0.01 0.21 0.16 -0.04 2.15 2.47 2jj1G1 GLN 17 HB3 -0.01 0.11 0.05 -0.04 2.02 2.13 2jj1G1 GLN 17 HG2 -0.00 0.04 0.19 -0.04 2.40 2.59 2jj1G1 GLN 17 HG3 -0.01 -0.05 -0.02 -0.04 2.39 2.28 2jj1G1 GLN 17 HE21 -0.00 -0.02 -0.03 -0.04 6.97 6.88 2jj1G1 GLN 17 HE22 -0.00 0.03 -0.02 -0.04 7.69 7.65 2jj1G1 LYS 18 H -0.01 0.39 -0.41 -0.55 8.42 7.85 2jj1G1 LYS 18 HA -0.00 0.05 0.48 -0.75 4.32 4.09 2jj1G1 LYS 18 HB2 -0.01 0.15 0.19 -0.04 1.87 2.16 2jj1G1 LYS 18 HB3 -0.00 -0.06 0.04 -0.04 1.79 1.72 2jj1G1 LYS 18 HG2 -0.01 -0.06 0.03 -0.04 1.46 1.39 2jj1G1 LYS 18 HG3 -0.01 0.19 0.09 -0.04 1.46 1.69 2jj1G1 LYS 18 HD2 -0.01 -0.01 0.05 -0.04 1.69 1.68 2jj1G1 LYS 18 HD3 -0.01 -0.06 0.02 -0.04 1.68 1.60 2jj1G1 LYS 18 HE2 -0.01 -0.05 -0.00 -0.04 2.99 2.89 2jj1G1 LYS 18 HE3 -0.01 0.12 -0.02 -0.04 2.99 3.04 2jj1G1 ILE 19 H -0.00 0.46 0.02 -0.55 8.25 8.18 2jj1G1 ILE 19 HA -0.00 0.05 0.54 -0.75 4.18 4.02 2jj1G1 ILE 19 HB -0.00 0.05 0.16 -0.04 1.89 2.06 2jj1G1 ILE 19 HG12 -0.00 -0.03 0.04 -0.04 1.49 1.46 2jj1G1 ILE 19 HG13 -0.00 0.17 0.12 -0.04 1.21 1.46 2jj1G1 ILE 19 HG23 -0.00 -0.01 -0.03 -0.04 0.93 0.84 2jj1G1 ILE 19 HD13 -0.00 -0.02 -0.04 -0.04 0.88 0.78 2jj1G1 THR 20 H -0.00 0.61 0.04 -0.55 8.28 8.38 2jj1G1 THR 20 HA -0.00 -0.02 0.43 -0.75 4.39 4.05 2jj1G1 THR 20 HB -0.00 0.04 0.13 -0.04 4.32 4.45 2jj1G1 THR 20 HG23 -0.00 0.01 0.03 -0.04 1.22 1.22 2jj1G1 LYS 21 H -0.00 0.29 -0.53 -0.55 8.42 7.63 2jj1G1 LYS 21 HA -0.00 0.06 0.54 -0.75 4.32 4.17 2jj1G1 LYS 21 HB2 -0.00 0.15 0.18 -0.04 1.87 2.16 2jj1G1 LYS 21 HB3 -0.00 0.15 0.16 -0.04 1.79 2.05 2jj1G1 LYS 21 HG2 -0.00 -0.02 -0.05 -0.04 1.46 1.35 2jj1G1 LYS 21 HG3 -0.00 -0.05 0.10 -0.04 1.46 1.47 2jj1G1 LYS 21 HD2 -0.00 -0.00 0.03 -0.04 1.69 1.67 2jj1G1 LYS 21 HD3 -0.00 0.02 0.02 -0.04 1.68 1.67 2jj1G1 LYS 21 HE2 0.00 -0.02 0.02 -0.04 2.99 2.95 2jj1G1 LYS 21 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.94 2jj1G1 SER 22 H -0.00 0.38 -0.11 -0.55 8.46 8.19 2jj1G1 SER 22 HA 0.00 0.06 0.63 -0.75 4.49 4.43 2jj1G1 SER 22 HB2 0.00 -0.06 0.08 -0.04 3.95 3.93 2jj1G1 SER 22 HB3 -0.00 0.07 0.16 -0.04 3.93 4.12 2jj1G1 MET 23 H 0.00 0.80 0.13 -0.55 8.47 8.85 2jj1G1 MET 23 HA 0.00 0.02 0.56 -0.75 4.52 4.34 2jj1G1 MET 23 HB2 0.00 0.05 0.12 -0.04 2.15 2.28 2jj1G1 MET 23 HB3 0.00 0.00 0.02 -0.04 2.03 2.01 2jj1G1 MET 23 HG2 0.00 -0.02 0.02 -0.04 2.63 2.59 2jj1G1 MET 23 HG3 0.00 0.06 0.04 -0.04 2.56 2.63 2jj1G1 MET 23 HE3 0.00 0.00 -0.03 -0.04 2.10 2.04 2jj1G1 LYS 24 H -0.00 0.47 -0.31 -0.55 8.42 8.02 2jj1G1 LYS 24 HA -0.00 0.03 0.52 -0.75 4.32 4.11 2jj1G1 LYS 24 HB2 -0.00 0.08 0.03 -0.04 1.87 1.94 2jj1G1 LYS 24 HB3 -0.00 0.19 0.13 -0.04 1.79 2.07 2jj1G1 LYS 24 HG2 -0.00 -0.08 -0.13 -0.04 1.46 1.21 2jj1G1 LYS 24 HG3 -0.01 0.20 0.15 -0.04 1.46 1.76 2jj1G1 LYS 24 HD2 -0.01 -0.05 0.04 -0.04 1.69 1.64 2jj1G1 LYS 24 HD3 -0.00 0.01 0.05 -0.04 1.68 1.69 2jj1G1 LYS 24 HE2 0.00 0.18 0.04 -0.04 2.99 3.17 2jj1G1 LYS 24 HE3 0.00 -0.06 -0.04 -0.04 2.99 2.86 2jj1G1 MET 25 H 0.00 0.33 -0.34 -0.55 8.47 7.91 2jj1G1 MET 25 HA 0.01 0.00 0.48 -0.75 4.52 4.26 2jj1G1 MET 25 HB2 0.00 0.12 0.26 -0.04 2.15 2.50 2jj1G1 MET 25 HB3 0.01 -0.05 0.04 -0.04 2.03 1.98 2jj1G1 MET 25 HG2 0.01 0.06 0.09 -0.04 2.63 2.74 2jj1G1 MET 25 HG3 0.00 -0.02 0.07 -0.04 2.56 2.58 2jj1G1 MET 25 HE3 0.01 -0.01 0.02 -0.04 2.10 2.08 2jj1G1 VAL 26 H 0.01 0.50 -0.10 -0.55 8.24 8.09 2jj1G1 VAL 26 HA 0.01 0.03 0.58 -0.75 4.13 4.00 2jj1G1 VAL 26 HB 0.00 0.05 0.24 -0.04 2.12 2.37 2jj1G1 VAL 26 HG13 0.00 -0.01 -0.10 -0.04 0.97 0.82 2jj1G1 VAL 26 HG23 0.00 0.02 0.03 -0.04 0.95 0.96 2jj1G1 ALA 27 H 0.01 0.81 0.01 -0.55 8.40 8.69 2jj1G1 ALA 27 HA 0.02 -0.01 0.44 -0.75 4.34 4.03 2jj1G1 ALA 27 HB3 -0.00 0.06 0.13 -0.04 1.41 1.55 2jj1G1 ALA 28 H 0.02 0.63 -0.12 -0.55 8.40 8.39 2jj1G1 ALA 28 HA 0.12 0.00 0.47 -0.75 4.34 4.18 2jj1G1 ALA 28 HB3 0.05 0.03 0.13 -0.04 1.41 1.58 2jj1G1 ALA 29 H 0.03 0.46 -0.26 -0.55 8.40 8.09 2jj1G1 ALA 29 HA 0.02 -0.02 0.47 -0.75 4.34 4.06 2jj1G1 ALA 29 HB3 0.01 0.04 0.16 -0.04 1.41 1.57 2jj1G1 LYS 30 H 0.03 0.53 -0.06 -0.55 8.42 8.36 2jj1G1 LYS 30 HA -0.02 0.06 0.64 -0.75 4.32 4.25 2jj1G1 LYS 30 HB2 0.02 0.06 0.13 -0.04 1.87 2.04 2jj1G1 LYS 30 HB3 -0.01 -0.00 0.07 -0.04 1.79 1.81 2jj1G1 LYS 30 HG2 -0.01 -0.01 0.05 -0.04 1.46 1.45 2jj1G1 LYS 30 HG3 0.00 0.04 0.04 -0.04 1.46 1.51 2jj1G1 LYS 30 HD2 0.00 -0.06 -0.06 -0.04 1.69 1.54 2jj1G1 LYS 30 HD3 -0.00 0.06 0.02 -0.04 1.68 1.71 2jj1G1 LYS 30 HE2 -0.00 0.03 0.05 -0.04 2.99 3.03 2jj1G1 LYS 30 HE3 -0.00 -0.08 -0.00 -0.04 2.99 2.87 2jj1G1 TYR 31 H 0.12 0.50 -0.20 -0.55 8.29 8.15 2jj1G1 TYR 31 HA -0.09 0.07 0.54 -0.75 4.56 4.32 2jj1G1 TYR 31 HB2 -0.05 -0.04 -0.23 -0.04 3.06 2.70 2jj1G1 TYR 31 HB3 -0.03 0.10 0.19 -0.04 2.98 3.20 2jj1G1 TYR 31 HD2 -0.09 0.10 0.03 -0.04 7.15 7.15 2jj1G1 TYR 31 HE2 -0.27 -0.00 -0.06 -0.04 6.85 6.48 2jj1G1 ALA 32 H -0.03 0.63 0.05 -0.55 8.40 8.50 2jj1G1 ALA 32 HA -0.51 0.00 0.44 -0.75 4.34 3.52 2jj1G1 ALA 32 HB3 -0.06 0.03 0.11 -0.04 1.41 1.45 2jj1G1 ARG 33 H -0.10 0.35 -0.29 -0.55 8.46 7.87 2jj1G1 ARG 33 HA -0.09 0.04 0.52 -0.75 4.34 4.05 2jj1G1 ARG 33 HB2 -0.06 0.11 0.10 -0.04 1.90 2.01 2jj1G1 ARG 33 HB3 -0.06 -0.02 0.03 -0.04 1.80 1.71 2jj1G1 ARG 33 HG2 -0.05 0.01 0.09 -0.04 1.67 1.68 2jj1G1 ARG 33 HG3 -0.03 0.01 0.07 -0.04 1.67 1.67 2jj1G1 ARG 33 HD2 -0.05 -0.02 0.04 -0.04 3.22 3.15 2jj1G1 ARG 33 HD3 -0.03 -0.03 0.01 -0.04 3.22 3.13 2jj1G1 ALA 34 H -0.17 0.28 -0.45 -0.55 8.40 7.51 2jj1G1 ALA 34 HA -0.13 0.09 0.61 -0.75 4.34 4.16 2jj1G1 ALA 34 HB3 -0.14 0.03 0.10 -0.04 1.41 1.35 2jj1G1 GLU 35 H -0.41 0.42 -0.08 -0.55 8.60 7.99 2jj1G1 GLU 35 HA -0.39 0.08 0.53 -0.75 4.29 3.75 2jj1G1 GLU 35 HB2 -1.00 0.19 0.12 -0.04 2.09 1.36 2jj1G1 GLU 35 HB3 -0.41 0.00 0.07 -0.04 1.99 1.61 2jj1G1 GLU 35 HG2 -0.59 0.00 0.04 -0.04 2.34 1.76 2jj1G1 GLU 35 HG3 -0.59 -0.02 -0.04 -0.04 2.34 1.65 2jj1G1 ARG 36 H -0.20 0.58 -0.05 -0.55 8.46 8.24 2jj1G1 ARG 36 HA -0.08 0.05 0.61 -0.75 4.34 4.17 2jj1G1 ARG 36 HB2 -0.09 0.15 0.14 -0.04 1.90 2.06 2jj1G1 ARG 36 HB3 -0.06 -0.04 0.20 -0.04 1.80 1.86 2jj1G1 ARG 36 HG2 -0.05 -0.04 0.06 -0.04 1.67 1.60 2jj1G1 ARG 36 HG3 -0.10 -0.06 0.01 -0.04 1.67 1.47 2jj1G1 ARG 36 HD2 -0.06 -0.07 0.03 -0.04 3.22 3.08 2jj1G1 ARG 36 HD3 -0.10 0.18 0.05 -0.04 3.22 3.31 2jj1G1 GLU 37 H -0.13 0.12 -1.01 -0.55 8.60 7.03 2jj1G1 GLU 37 HA -0.05 0.10 0.75 -0.75 4.29 4.34 2jj1G1 GLU 37 HB2 -0.08 0.26 0.01 -0.04 2.09 2.24 2jj1G1 GLU 37 HB3 -0.09 0.08 0.04 -0.04 1.99 1.98 2jj1G1 GLU 37 HG2 -0.04 -0.02 0.08 -0.04 2.34 2.32 2jj1G1 GLU 37 HG3 -0.03 -0.06 0.12 -0.04 2.34 2.33 2jj1G1 LEU 38 H -0.11 0.16 -0.14 -0.55 8.37 7.73 2jj1G1 LEU 38 HA -0.08 0.13 0.62 -0.75 4.35 4.27 2jj1G1 LEU 38 HB2 -0.16 0.20 0.23 -0.04 1.64 1.87 2jj1G1 LEU 38 HB3 -0.09 0.07 0.17 -0.04 1.64 1.74 2jj1G1 LEU 38 HG -0.00 -0.07 -0.01 -0.04 1.64 1.51 2jj1G1 LEU 38 HD13 -0.13 0.02 0.00 -0.04 0.93 0.79 2jj1G1 LEU 38 HD23 -0.01 -0.02 0.03 -0.04 0.89 0.85 2jj1G1 LYS 39 H -0.03 0.14 -0.15 -0.55 8.42 7.83 2jj1G1 LYS 39 HA 0.04 0.06 0.36 -0.75 4.32 4.03 2jj1G1 LYS 39 HB2 0.00 0.06 0.06 -0.04 1.87 1.95 2jj1G1 LYS 39 HB3 0.02 -0.04 0.01 -0.04 1.79 1.75 2jj1G1 LYS 39 HG2 0.03 -0.02 0.03 -0.04 1.46 1.46 2jj1G1 LYS 39 HG3 -0.01 0.13 0.11 -0.04 1.46 1.65 2jj1G1 LYS 39 HD2 -0.00 0.00 0.02 -0.04 1.69 1.67 2jj1G1 LYS 39 HD3 -0.01 0.02 0.04 -0.04 1.68 1.69 2jj1G1 LYS 39 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.95 2jj1G1 LYS 39 HE3 0.03 -0.01 0.01 -0.04 2.99 2.97 2jj1G1 PRO 40 HA 0.06 0.06 0.45 -0.51 4.44 4.50 2jj1G1 PRO 40 HB2 0.03 0.08 -0.07 -0.04 2.28 2.27 2jj1G1 PRO 40 HB3 0.03 0.00 0.07 -0.04 2.02 2.09 2jj1G1 PRO 40 HG2 0.00 0.11 0.03 -0.04 2.03 2.12 2jj1G1 PRO 40 HG3 0.01 0.02 0.02 -0.04 2.03 2.04 2jj1G1 PRO 40 HD2 -0.00 0.29 -0.33 -0.04 3.68 3.60 2jj1G1 PRO 40 HD3 -0.00 0.04 -0.08 -0.04 3.65 3.57 2jj1G1 ALA 41 H 0.05 0.29 -0.47 -0.55 8.40 7.73 2jj1G1 ALA 41 HA 0.16 0.08 0.63 -0.75 4.34 4.46 2jj1G1 ALA 41 HB3 0.06 0.05 0.05 -0.04 1.41 1.52 2jj1G1 ARG 42 H 0.13 0.25 -0.40 -0.55 8.46 7.88 2jj1G1 ARG 42 HA 0.39 0.20 0.84 -0.75 4.34 5.02 2jj1G1 ARG 42 HB2 0.12 0.18 0.20 -0.04 1.90 2.35 2jj1G1 ARG 42 HB3 0.16 -0.07 -0.03 -0.04 1.80 1.82 2jj1G1 ARG 42 HG2 0.35 -0.03 0.06 -0.04 1.67 2.00 2jj1G1 ARG 42 HG3 0.10 0.13 0.00 -0.04 1.67 1.86 2jj1G1 ARG 42 HD2 0.10 -0.01 -0.06 -0.04 3.22 3.22 2jj1G1 ARG 42 HD3 0.15 -0.06 -0.01 -0.04 3.22 3.26 2jj1G1 VAL 43 H 0.12 0.31 0.07 -0.55 8.24 8.20 2jj1G1 VAL 43 HA 0.06 0.08 0.59 -0.75 4.13 4.11 2jj1G1 VAL 43 HB 0.07 0.03 0.14 -0.04 2.12 2.32 2jj1G1 VAL 43 HG13 0.11 0.02 0.03 -0.04 0.97 1.08 2jj1G1 VAL 43 HG23 0.05 -0.01 0.03 -0.04 0.95 0.98 2jj1G1 TYR 44 H 0.25 0.20 -0.40 -0.55 8.29 7.79 2jj1G1 TYR 44 HA 0.04 0.01 0.42 -0.75 4.56 4.28 2jj1G1 TYR 44 HB2 0.09 0.12 0.13 -0.04 3.06 3.36 2jj1G1 TYR 44 HB3 0.15 0.05 -0.03 -0.04 2.98 3.12 2jj1G1 TYR 44 HD2 0.12 0.06 -0.05 -0.04 7.15 7.24 2jj1G1 TYR 44 HE2 0.09 -0.01 -0.00 -0.04 6.85 6.89 2jj1G1 GLY 45 H 0.09 0.30 -1.02 -0.55 8.43 7.25 2jj1G1 GLY 45 HA2 -0.05 0.12 0.39 -0.51 4.01 3.96 2jj1G1 GLY 45 HA3 -0.36 0.09 0.26 -0.51 4.01 3.48 2jj1G1 VAL 46 H -0.10 0.18 -0.05 -0.55 8.24 7.72 2jj1G1 VAL 46 HA -0.16 0.11 0.42 -0.75 4.13 3.75 2jj1G1 VAL 46 HB -0.05 -0.01 0.02 -0.04 2.12 2.04 2jj1G1 VAL 46 HG13 -0.05 -0.01 0.04 -0.04 0.97 0.91 2jj1G1 VAL 46 HG23 -0.06 0.02 0.05 -0.04 0.95 0.91 2jj1G1 GLY 47 H -0.11 0.08 -0.50 -0.55 8.43 7.34 2jj1G1 GLY 47 HA2 -0.08 0.19 0.63 -0.51 4.01 4.24 2jj1G1 GLY 47 HA3 -0.10 -0.01 0.08 -0.51 4.01 3.47 2jj1G1 SER 72 HA 0.02 -0.06 0.16 -0.75 4.49 3.86 2jj1G1 SER 72 HB2 0.09 -0.08 -0.04 -0.04 3.95 3.88 2jj1G1 SER 72 HB3 0.09 0.04 -0.01 -0.04 3.93 4.01 2jj1G1 SER 73 H 0.20 0.17 0.08 -0.55 8.46 8.37 2jj1G1 SER 73 HA 0.04 0.09 0.43 -0.75 4.49 4.29 2jj1G1 SER 73 HB2 0.04 0.00 0.19 -0.04 3.95 4.15 2jj1G1 SER 73 HB3 0.05 0.20 -0.32 -0.04 3.93 3.82 2jj1G1 ASP 74 H 0.02 0.54 0.32 -0.55 8.40 8.72 2jj1G1 ASP 74 HA -0.05 -0.08 0.78 -0.75 4.63 4.52 2jj1G1 ASP 74 HB2 -0.01 0.09 0.22 -0.04 2.71 2.98 2jj1G1 ASP 74 HB3 -0.02 0.06 0.07 -0.04 2.70 2.77 2jj1G1 ARG 75 H 0.03 0.09 0.08 -0.55 8.46 8.11 2jj1G1 ARG 75 HA -0.01 0.03 0.32 -0.75 4.34 3.93 2jj1G1 ARG 75 HB2 0.01 -0.06 0.05 -0.04 1.90 1.87 2jj1G1 ARG 75 HB3 0.04 0.02 0.09 -0.04 1.80 1.91 2jj1G1 ARG 75 HG2 0.03 0.28 -0.22 -0.04 1.67 1.72 2jj1G1 ARG 75 HG3 0.01 -0.07 -0.04 -0.04 1.67 1.53 2jj1G1 ARG 75 HD2 0.01 -0.04 -0.05 -0.04 3.22 3.10 2jj1G1 ARG 75 HD3 0.01 0.03 -0.08 -0.04 3.22 3.14 2jj1G1 GLY 76 H -0.00 0.09 0.13 -0.55 8.43 8.10 2jj1G1 GLY 76 HA2 0.21 0.10 0.44 -0.51 4.01 4.25 2jj1G1 GLY 76 HA3 0.03 0.01 0.37 -0.51 4.01 3.91 2jj1G1 LEU 77 H 0.06 0.14 0.12 -0.55 8.37 8.14 2jj1G1 LEU 77 HA 0.03 -0.01 0.33 -0.75 4.35 3.94 2jj1G1 LEU 77 HB2 0.02 0.19 -0.16 -0.04 1.64 1.64 2jj1G1 LEU 77 HB3 0.01 0.01 0.20 -0.04 1.64 1.82 2jj1G1 LEU 77 HG 0.02 -0.07 -0.06 -0.04 1.64 1.49 2jj1G1 LEU 77 HD13 0.01 0.01 -0.06 -0.04 0.93 0.85 2jj1G1 LEU 77 HD23 0.01 0.00 0.03 -0.04 0.89 0.89 2jj1G1 CYS 78 H 0.05 0.08 -0.30 -0.55 8.50 7.78 2jj1G1 CYS 78 HA -0.02 0.18 0.62 -0.75 4.58 4.60 2jj1G1 CYS 78 HB2 -0.12 0.01 0.17 -0.04 2.97 2.98 2jj1G1 CYS 78 HB3 -0.04 0.11 -0.06 -0.04 2.97 2.94 2jj1G1 GLY 79 H 0.01 0.09 -0.20 -0.55 8.43 7.79 2jj1G1 GLY 79 HA2 0.03 0.07 0.29 -0.51 4.01 3.88 2jj1G1 GLY 79 HA3 0.03 0.07 0.32 -0.51 4.01 3.92 2jj1G1 ALA 80 H 0.09 0.21 0.17 -0.55 8.40 8.32 2jj1G1 ALA 80 HA 0.05 0.06 0.20 -0.75 4.34 3.90 2jj1G1 ALA 80 HB3 0.08 0.04 0.10 -0.04 1.41 1.59 2jj1G1 ILE 81 H -0.06 0.39 -0.51 -0.55 8.25 7.52 2jj1G1 ILE 81 HA -0.17 0.06 0.30 -0.75 4.18 3.62 2jj1G1 ILE 81 HB -0.39 0.02 0.03 -0.04 1.89 1.50 2jj1G1 ILE 81 HG12 -0.42 -0.03 0.01 -0.04 1.49 1.01 2jj1G1 ILE 81 HG13 -0.32 0.01 0.02 -0.04 1.21 0.88 2jj1G1 ILE 81 HG23 -0.57 0.00 -0.17 -0.04 0.93 0.15 2jj1G1 ILE 81 HD13 -0.64 0.02 -0.21 -0.04 0.88 0.02 2jj1G1 HIS 82 H -0.25 0.16 -0.09 -0.55 8.41 7.68 2jj1G1 HIS 82 HA 0.00 0.14 0.24 -0.75 4.63 4.26 2jj1G1 HIS 82 HB2 0.00 0.00 -0.07 -0.04 3.26 3.16 2jj1G1 HIS 82 HB3 0.00 0.10 -0.07 -0.04 3.20 3.18 2jj1G1 HIS 82 HD2 -0.01 -0.07 -0.05 -0.04 6.97 6.80 2jj1G1 HIS 82 HE1 -0.02 -0.09 -0.24 -0.04 7.75 7.36 2jj1G1 SER 83 H 0.08 0.07 -0.39 -0.55 8.46 7.67 2jj1G1 SER 83 HA 0.06 0.12 0.47 -0.75 4.49 4.38 2jj1G1 SER 83 HB2 0.04 0.03 0.02 -0.04 3.95 4.00 2jj1G1 SER 83 HB3 0.06 -0.04 0.02 -0.04 3.93 3.92 2jj1G1 SER 84 H 0.06 0.61 -0.10 -0.55 8.46 8.48 2jj1G1 SER 84 HA 0.03 0.02 0.38 -0.75 4.49 4.17 2jj1G1 SER 84 HB2 0.12 0.19 0.12 -0.04 3.95 4.34 2jj1G1 SER 84 HB3 0.12 0.06 0.01 -0.04 3.93 4.07 2jj1G1 VAL 85 H 0.04 0.28 -0.25 -0.55 8.24 7.77 2jj1G1 VAL 85 HA 0.02 0.11 0.68 -0.75 4.13 4.18 2jj1G1 VAL 85 HB 0.04 0.09 -0.07 -0.04 2.12 2.14 2jj1G1 VAL 85 HG13 0.02 0.02 -0.16 -0.04 0.97 0.81 2jj1G1 VAL 85 HG23 0.05 0.04 -0.10 -0.04 0.95 0.90 2jj1G1 ALA 86 H 0.04 0.27 -0.21 -0.55 8.40 7.96 2jj1G1 ALA 86 HA 0.03 0.08 0.57 -0.75 4.34 4.26 2jj1G1 ALA 86 HB3 0.03 0.02 0.14 -0.04 1.41 1.56 2jj1G1 LYS 87 H 0.02 0.35 -0.31 -0.55 8.42 7.93 2jj1G1 LYS 87 HA 0.01 0.05 0.55 -0.75 4.32 4.18 2jj1G1 LYS 87 HB2 0.01 0.09 0.12 -0.04 1.87 2.05 2jj1G1 LYS 87 HB3 0.01 0.14 0.07 -0.04 1.79 1.96 2jj1G1 LYS 87 HG2 -0.00 -0.04 -0.02 -0.04 1.46 1.36 2jj1G1 LYS 87 HG3 0.00 0.01 0.01 -0.04 1.46 1.44 2jj1G1 LYS 87 HD2 0.00 -0.04 0.00 -0.04 1.69 1.62 2jj1G1 LYS 87 HD3 0.01 0.02 0.02 -0.04 1.68 1.68 2jj1G1 LYS 87 HE2 0.01 0.06 -0.05 -0.04 2.99 2.97 2jj1G1 LYS 87 HE3 -0.00 -0.04 -0.02 -0.04 2.99 2.89 2jj1G1 GLN 88 H 0.01 0.18 -0.27 -0.55 8.47 7.84 2jj1G1 GLN 88 HA 0.00 0.03 0.46 -0.75 4.36 4.10 2jj1G1 GLN 88 HB2 -0.00 -0.00 0.16 -0.04 2.15 2.26 2jj1G1 GLN 88 HB3 0.01 0.13 0.04 -0.04 2.02 2.16 2jj1G1 GLN 88 HG2 -0.01 -0.04 0.04 -0.04 2.40 2.36 2jj1G1 GLN 88 HG3 0.00 0.04 0.13 -0.04 2.39 2.52 2jj1G1 GLN 88 HE21 -0.02 -0.05 0.02 -0.04 6.97 6.89 2jj1G1 GLN 88 HE22 -0.01 0.02 0.04 -0.04 7.69 7.70 2jj1G1 MET 89 H 0.02 0.05 -0.88 -0.55 8.47 7.11 2jj1G1 MET 89 HA 0.02 0.11 0.34 -0.75 4.52 4.23 2jj1G1 MET 89 HB2 0.02 0.06 0.16 -0.04 2.15 2.35 2jj1G1 MET 89 HB3 0.02 0.01 0.10 -0.04 2.03 2.11 2jj1G1 MET 89 HG2 0.02 -0.04 0.09 -0.04 2.63 2.65 2jj1G1 MET 89 HG3 0.02 0.00 0.07 -0.04 2.56 2.61 2jj1G1 MET 89 HE3 0.03 0.00 -0.12 -0.04 2.10 1.98 2jj1G1 ILE 106 HA 0.01 -0.12 0.21 -0.75 4.18 3.52 2jj1G1 ILE 106 HB 0.01 -0.03 0.03 -0.04 1.89 1.86 2jj1G1 ILE 106 HG12 0.01 -0.01 0.03 -0.04 1.49 1.48 2jj1G1 ILE 106 HG13 0.01 -0.03 0.03 -0.04 1.21 1.18 2jj1G1 ILE 106 HG23 0.01 0.02 -0.24 -0.04 0.93 0.68 2jj1G1 ILE 106 HD13 0.01 -0.01 -0.01 -0.04 0.88 0.83 2jj1G1 GLY 107 H 0.01 0.07 0.05 -0.55 8.43 8.01 2jj1G1 GLY 107 HA2 0.02 0.22 0.77 -0.51 4.01 4.51 2jj1G1 GLY 107 HA3 0.02 -0.03 0.15 -0.51 4.01 3.63 2jj1G1 VAL 108 H 0.02 0.27 0.06 -0.55 8.24 8.05 2jj1G1 VAL 108 HA 0.01 0.09 0.81 -0.75 4.13 4.28 2jj1G1 VAL 108 HB 0.00 0.02 -0.13 -0.04 2.12 1.98 2jj1G1 VAL 108 HG13 0.02 0.04 0.03 -0.04 0.97 1.02 2jj1G1 VAL 108 HG23 -0.00 -0.01 -0.14 -0.04 0.95 0.76 2jj1G1 GLY 109 H 0.01 0.18 -0.03 -0.55 8.43 8.04 2jj1G1 GLY 109 HA2 0.01 -0.13 0.22 -0.51 4.01 3.60 2jj1G1 GLY 109 HA3 0.02 0.24 0.53 -0.51 4.01 4.29 2jj1G1 ASP 110 H -0.01 -0.01 -0.13 -0.55 8.40 7.70 2jj1G1 ASP 110 HA -0.02 0.14 0.36 -0.75 4.63 4.36 2jj1G1 ASP 110 HB2 -0.02 -0.10 0.18 -0.04 2.71 2.73 2jj1G1 ASP 110 HB3 -0.04 0.01 0.14 -0.04 2.70 2.77 2jj1G1 LYS 111 H -0.10 0.60 0.14 -0.55 8.42 8.51 2jj1G1 LYS 111 HA -0.14 0.02 0.39 -0.75 4.32 3.84 2jj1G1 LYS 111 HB2 -0.43 0.09 -0.05 -0.04 1.87 1.44 2jj1G1 LYS 111 HB3 -0.62 0.03 -0.06 -0.04 1.79 1.10 2jj1G1 LYS 111 HG2 -1.15 -0.09 -0.11 -0.04 1.46 0.06 2jj1G1 LYS 111 HG3 -0.27 0.01 0.04 -0.04 1.46 1.20 2jj1G1 LYS 111 HD2 -0.17 0.03 0.00 -0.04 1.69 1.50 2jj1G1 LYS 111 HD3 -0.28 -0.01 -0.08 -0.04 1.68 1.27 2jj1G1 LYS 111 HE2 -0.09 -0.07 -0.03 -0.04 2.99 2.76 2jj1G1 LYS 111 HE3 -0.09 0.06 -0.04 -0.04 2.99 2.89 2jj1G1 ILE 112 H -0.02 0.30 -0.44 -0.55 8.25 7.54 2jj1G1 ILE 112 HA 0.01 0.08 0.64 -0.75 4.18 4.15 2jj1G1 ILE 112 HB 0.02 0.29 -0.11 -0.04 1.89 2.04 2jj1G1 ILE 112 HG12 0.07 -0.13 -0.08 -0.04 1.49 1.31 2jj1G1 ILE 112 HG13 0.05 0.14 -0.05 -0.04 1.21 1.30 2jj1G1 ILE 112 HG23 0.02 -0.02 -0.27 -0.04 0.93 0.62 2jj1G1 ILE 112 HD13 0.05 -0.01 -0.05 -0.04 0.88 0.83 2jj1G1 ARG 113 H -0.01 0.23 3.42 -0.55 8.46 11.54 2jj1G1 ARG 113 HA -0.00 0.09 0.42 -0.75 4.34 4.10 2jj1G1 ARG 113 HB2 -0.00 -0.00 0.21 -0.04 1.90 2.06 2jj1G1 ARG 113 HB3 -0.01 0.01 0.92 -0.04 1.80 2.69 2jj1G1 ARG 113 HG2 -0.02 -0.00 -0.30 -0.04 1.67 1.31 2jj1G1 ARG 113 HG3 -0.02 0.02 -0.18 -0.04 1.67 1.45 2jj1G1 ARG 113 HD2 -0.01 -0.04 -0.07 -0.04 3.22 3.06 2jj1G1 ARG 113 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.18 2jj1G1 SER 114 H -0.03 0.29 -0.18 -0.55 8.46 7.99 2jj1G1 SER 114 HA -0.01 0.10 0.47 -0.75 4.49 4.29 2jj1G1 SER 114 HB2 -0.02 -0.03 0.05 -0.04 3.95 3.91 2jj1G1 SER 114 HB3 -0.03 -0.04 0.02 -0.04 3.93 3.84 2jj1G1 ILE 115 H -0.02 0.18 -0.68 -0.55 8.25 7.18 2jj1G1 ILE 115 HA -0.00 0.12 0.64 -0.75 4.18 4.18 2jj1G1 ILE 115 HB -0.01 0.38 0.13 -0.04 1.89 2.35 2jj1G1 ILE 115 HG12 0.01 -0.09 -0.05 -0.04 1.49 1.31 2jj1G1 ILE 115 HG13 0.00 -0.02 -0.00 -0.04 1.21 1.15 2jj1G1 ILE 115 HG23 0.02 -0.00 0.04 -0.04 0.93 0.95 2jj1G1 ILE 115 HD13 -0.03 -0.00 -0.18 -0.04 0.88 0.63 2jj1G1 LYS 129 HA -0.01 -0.22 0.20 -0.75 4.32 3.54 2jj1G1 LYS 129 HB2 -0.00 0.07 0.04 -0.04 1.87 1.93 2jj1G1 LYS 129 HB3 -0.00 0.04 -0.09 -0.04 1.79 1.70 2jj1G1 LYS 129 HG2 -0.01 -0.21 0.14 -0.04 1.46 1.34 2jj1G1 LYS 129 HG3 -0.01 0.06 0.06 -0.04 1.46 1.52 2jj1G1 LYS 129 HD2 -0.01 0.05 0.01 -0.04 1.69 1.70 2jj1G1 LYS 129 HD3 -0.01 0.06 -0.01 -0.04 1.68 1.69 2jj1G1 LYS 129 HE2 -0.01 -0.05 0.05 -0.04 2.99 2.94 2jj1G1 LYS 129 HE3 -0.01 -0.04 0.05 -0.04 2.99 2.95 2jj1G1 GLU 130 H -0.01 0.03 0.13 -0.55 8.60 8.21 2jj1G1 GLU 130 HA -0.00 -0.05 0.36 -0.75 4.29 3.84 2jj1G1 GLU 130 HB2 -0.00 -0.02 -0.11 -0.04 2.09 1.92 2jj1G1 GLU 130 HB3 -0.00 0.16 0.24 -0.04 1.99 2.35 2jj1G1 GLU 130 HG2 -0.00 0.03 0.05 -0.04 2.34 2.37 2jj1G1 GLU 130 HG3 -0.00 -0.03 0.10 -0.04 2.34 2.36 2jj1G1 VAL 131 H -0.00 -0.03 0.03 -0.55 8.24 7.69 2jj1G1 VAL 131 HA -0.00 0.25 0.87 -0.75 4.13 4.50 2jj1G1 VAL 131 HB -0.00 0.16 -0.03 -0.04 2.12 2.20 2jj1G1 VAL 131 HG13 0.00 -0.04 -0.13 -0.04 0.97 0.76 2jj1G1 VAL 131 HG23 -0.01 0.02 -0.06 -0.04 0.95 0.86 2jj1G1 GLY 132 H -0.01 0.35 0.07 -0.55 8.43 8.29 2jj1G1 GLY 132 HA2 -0.01 0.14 0.36 -0.51 4.01 4.00 2jj1G1 GLY 132 HA3 0.01 0.01 0.81 -0.51 4.01 4.33 2jj1G1 ARG 133 H -0.00 0.05 -0.52 -0.55 8.46 7.44 2jj1G1 ARG 133 HA -0.00 0.05 0.28 -0.75 4.34 3.91 2jj1G1 ARG 133 HB2 -0.00 -0.02 -0.01 -0.04 1.90 1.83 2jj1G1 ARG 133 HB3 -0.00 0.05 -0.06 -0.04 1.80 1.75 2jj1G1 ARG 133 HG2 0.00 -0.07 -0.03 -0.04 1.67 1.53 2jj1G1 ARG 133 HG3 -0.00 -0.01 -0.03 -0.04 1.67 1.58 2jj1G1 ARG 133 HD2 -0.00 0.01 -0.03 -0.04 3.22 3.16 2jj1G1 ARG 133 HD3 -0.00 0.06 -0.01 -0.04 3.22 3.22 2jj1G1 ARG 134 H -0.00 0.05 -0.08 -0.55 8.46 7.87 2jj1G1 ARG 134 HA -0.01 0.21 0.78 -0.75 4.34 4.57 2jj1G1 ARG 134 HB2 -0.00 -0.03 0.02 -0.04 1.90 1.85 2jj1G1 ARG 134 HB3 -0.00 0.08 -0.03 -0.04 1.80 1.81 2jj1G1 ARG 134 HG2 -0.00 -0.12 -0.11 -0.04 1.67 1.40 2jj1G1 ARG 134 HG3 0.00 0.00 -0.02 -0.04 1.67 1.61 2jj1G1 ARG 134 HD2 -0.00 0.01 -0.02 -0.04 3.22 3.17 2jj1G1 ARG 134 HD3 -0.00 0.11 -0.03 -0.04 3.22 3.26 2jj1G1 PRO 135 HA -0.04 0.11 0.33 -0.51 4.44 4.34 2jj1G1 PRO 135 HB2 -0.02 -0.03 0.06 -0.04 2.28 2.25 2jj1G1 PRO 135 HB3 -0.04 0.08 0.04 -0.04 2.02 2.05 2jj1G1 PRO 135 HG2 -0.02 -0.01 0.07 -0.04 2.03 2.03 2jj1G1 PRO 135 HG3 -0.03 0.08 0.08 -0.04 2.03 2.12 2jj1G1 PRO 135 HD2 -0.01 0.03 0.16 -0.04 3.68 3.82 2jj1G1 PRO 135 HD3 -0.01 0.20 0.26 -0.04 3.65 4.06 2jj1G1 PRO 136 HA -0.00 -0.06 0.37 -0.51 4.44 4.24 2jj1G1 PRO 136 HB2 -0.07 0.05 -0.06 -0.04 2.28 2.16 2jj1G1 PRO 136 HB3 -0.04 -0.03 0.11 -0.04 2.02 2.02 2jj1G1 PRO 136 HG2 -0.13 0.02 0.02 -0.04 2.03 1.90 2jj1G1 PRO 136 HG3 -0.08 0.11 0.05 -0.04 2.03 2.07 2jj1G1 PRO 136 HD2 -0.06 0.06 0.20 -0.04 3.68 3.83 2jj1G1 PRO 136 HD3 -0.04 0.14 0.18 -0.04 3.65 3.89 2jj1G1 THR 137 H 0.05 0.04 0.17 -0.55 8.28 7.99 2jj1G1 THR 137 HA 0.20 0.24 0.73 -0.75 4.39 4.81 2jj1G1 THR 137 HB 0.10 -0.18 -0.02 -0.04 4.32 4.18 2jj1G1 THR 137 HG23 0.09 -0.02 0.09 -0.04 1.22 1.34 2jj1G1 PHE 138 H 0.25 0.15 0.14 -0.55 8.34 8.33 2jj1G1 PHE 138 HA -0.03 0.15 0.37 -0.75 4.62 4.35 2jj1G1 PHE 138 HB2 -0.35 0.01 0.15 -0.04 3.15 2.92 2jj1G1 PHE 138 HB3 -0.13 -0.04 0.07 -0.04 3.06 2.92 2jj1G1 PHE 138 HD2 -0.73 0.01 -0.10 -0.04 7.28 6.42 2jj1G1 PHE 138 HE2 -0.12 0.01 -0.04 -0.04 7.38 7.19 2jj1G1 PHE 138 HZ -0.38 -0.00 -0.06 -0.04 7.32 6.84 2jj1G1 GLY 139 H 0.16 0.01 -0.14 -0.55 8.43 7.92 2jj1G1 GLY 139 HA2 0.13 0.05 0.28 -0.51 4.01 3.96 2jj1G1 GLY 139 HA3 0.08 -0.03 0.23 -0.51 4.01 3.78 2jj1G1 ASP 140 H 0.07 0.08 -0.62 -0.55 8.40 7.38 2jj1G1 ASP 140 HA 0.02 0.11 0.41 -0.75 4.63 4.41 2jj1G1 ASP 140 HB2 0.03 0.16 0.06 -0.04 2.71 2.91 2jj1G1 ASP 140 HB3 0.01 0.02 0.04 -0.04 2.70 2.73 2jj1G1 ILE 161 HA 0.12 -0.12 0.23 -0.75 4.18 3.66 2jj1G1 ILE 161 HB 0.06 0.02 0.03 -0.04 1.89 1.95 2jj1G1 ILE 161 HG12 0.03 0.05 -0.03 -0.04 1.49 1.50 2jj1G1 ILE 161 HG13 0.04 -0.05 0.04 -0.04 1.21 1.20 2jj1G1 ILE 161 HG23 0.02 -0.02 -0.13 -0.04 0.93 0.75 2jj1G1 ILE 161 HD13 0.05 0.00 -0.01 -0.04 0.88 0.87 2jj1G1 PHE 162 H -0.11 0.16 0.15 -0.55 8.34 8.00 2jj1G1 PHE 162 HA 0.00 0.17 0.77 -0.75 4.62 4.81 2jj1G1 PHE 162 HB2 -0.03 0.02 0.06 -0.04 3.15 3.16 2jj1G1 PHE 162 HB3 -0.00 0.11 -0.27 -0.04 3.06 2.86 2jj1G1 PHE 162 HD2 -0.01 0.12 -0.25 -0.04 7.28 7.10 2jj1G1 PHE 162 HE2 0.03 -0.01 -0.11 -0.04 7.38 7.25 2jj1G1 PHE 162 HZ 0.21 -0.02 -0.08 -0.04 7.32 7.39 2jj1G1 ASN 163 H 0.13 0.19 0.11 -0.55 8.53 8.41 2jj1G1 ASN 163 HA -0.06 0.16 0.86 -0.75 4.76 4.96 2jj1G1 ASN 163 HB2 -0.05 0.01 0.08 -0.04 2.88 2.88 2jj1G1 ASN 163 HB3 0.00 -0.02 -0.17 -0.04 2.79 2.56 2jj1G1 ASN 163 HD21 0.01 0.13 -0.02 -0.04 7.03 7.11 2jj1G1 ASN 163 HD22 -0.11 -0.01 -0.06 -0.04 7.74 7.53 2jj1G1 ARG 164 H -0.04 0.87 0.28 -0.55 8.46 9.02 2jj1G1 ARG 164 HA 0.20 0.11 0.82 -0.75 4.34 4.72 2jj1G1 ARG 164 HB2 0.08 0.01 0.01 -0.04 1.90 1.95 2jj1G1 ARG 164 HB3 -0.05 0.13 0.22 -0.04 1.80 2.07 2jj1G1 ARG 164 HG2 0.08 -0.01 -0.21 -0.04 1.67 1.48 2jj1G1 ARG 164 HG3 0.17 0.02 -0.00 -0.04 1.67 1.82 2jj1G1 ARG 164 HD2 0.12 -0.02 -0.03 -0.04 3.22 3.25 2jj1G1 ARG 164 HD3 0.22 0.01 -0.02 -0.04 3.22 3.39 2jj1G1 PHE 165 H 0.26 0.19 0.19 -0.55 8.34 8.43 2jj1G1 PHE 165 HA 0.11 0.04 0.47 -0.75 4.62 4.48 2jj1G1 PHE 165 HB2 0.05 0.00 0.03 -0.04 3.15 3.19 2jj1G1 PHE 165 HB3 0.04 0.01 0.11 -0.04 3.06 3.18 2jj1G1 PHE 165 HD2 0.08 -0.01 -0.18 -0.04 7.28 7.13 2jj1G1 PHE 165 HE2 0.10 -0.01 -0.22 -0.04 7.38 7.22 2jj1G1 PHE 165 HZ 0.26 -0.15 -0.28 -0.04 7.32 7.11 2jj1G1 ARG 166 H -0.60 0.43 0.16 -0.55 8.46 7.90 2jj1G1 ARG 166 HA -0.25 0.21 0.82 -0.75 4.34 4.37 2jj1G1 ARG 166 HB2 -0.21 -0.11 -0.14 -0.04 1.90 1.41 2jj1G1 ARG 166 HB3 -0.19 -0.04 -0.06 -0.04 1.80 1.46 2jj1G1 ARG 166 HG2 -0.08 0.09 0.02 -0.04 1.67 1.66 2jj1G1 ARG 166 HG3 -0.08 0.03 -0.19 -0.04 1.67 1.39 2jj1G1 ARG 166 HD2 -0.09 -0.05 -0.09 -0.04 3.22 2.94 2jj1G1 ARG 166 HD3 -0.07 -0.02 -0.05 -0.04 3.22 3.04 2jj1G1 SER 167 H -0.45 0.14 0.19 -0.55 8.46 7.79 2jj1G1 SER 167 HA -0.26 0.26 0.72 -0.75 4.49 4.45 2jj1G1 SER 167 HB2 -0.04 -0.02 0.20 -0.04 3.95 4.04 2jj1G1 SER 167 HB3 -0.12 0.11 -0.05 -0.04 3.93 3.82 2jj1G1 VAL 168 H 0.07 0.16 0.16 -0.55 8.24 8.08 2jj1G1 VAL 168 HA 0.03 0.14 0.47 -0.75 4.13 4.02 2jj1G1 VAL 168 HB -0.09 0.06 0.01 -0.04 2.12 2.06 2jj1G1 VAL 168 HG13 -0.13 0.02 0.07 -0.04 0.97 0.88 2jj1G1 VAL 168 HG23 0.01 -0.01 0.08 -0.04 0.95 0.99 2jj1G1 ILE 169 H -0.04 -0.02 -0.20 -0.55 8.25 7.45 2jj1G1 ILE 169 HA -0.01 0.19 0.60 -0.75 4.18 4.21 2jj1G1 ILE 169 HB -0.04 -0.00 -0.04 -0.04 1.89 1.77 2jj1G1 ILE 169 HG12 -0.02 0.05 -0.05 -0.04 1.49 1.43 2jj1G1 ILE 169 HG13 -0.02 -0.15 0.03 -0.04 1.21 1.03 2jj1G1 ILE 169 HG23 -0.02 0.01 0.06 -0.04 0.93 0.93 2jj1G1 ILE 169 HD13 -0.02 0.01 -0.00 -0.04 0.88 0.82 2jj1G1 SER 170 H -0.09 0.18 -0.36 -0.55 8.46 7.64 2jj1G1 SER 170 HA -0.10 0.27 1.01 -0.75 4.49 4.92 2jj1G1 SER 170 HB2 -0.11 -0.02 -0.18 -0.04 3.95 3.61 2jj1G1 SER 170 HB3 -0.16 -0.19 0.02 -0.04 3.93 3.56 2jj1G1 TYR 171 H -0.30 0.32 0.17 -0.55 8.29 7.93 2jj1G1 TYR 171 HA -0.10 0.14 0.47 -0.75 4.56 4.32 2jj1G1 TYR 171 HB2 0.00 0.06 -0.22 -0.04 3.06 2.87 2jj1G1 TYR 171 HB3 0.02 0.10 -0.05 -0.04 2.98 3.01 2jj1G1 TYR 171 HD2 -0.03 0.03 -0.40 -0.04 7.15 6.71 2jj1G1 TYR 171 HE2 -0.04 0.00 -0.13 -0.04 6.85 6.64 2jj1G1 LYS 172 H 0.02 0.68 0.26 -0.55 8.42 8.83 2jj1G1 LYS 172 HA -0.13 0.12 0.99 -0.75 4.32 4.54 2jj1G1 LYS 172 HB2 -0.08 -0.08 -0.00 -0.04 1.87 1.67 2jj1G1 LYS 172 HB3 -0.06 0.04 0.08 -0.04 1.79 1.82 2jj1G1 LYS 172 HG2 -0.08 0.07 0.04 -0.04 1.46 1.44 2jj1G1 LYS 172 HG3 -0.08 -0.07 0.04 -0.04 1.46 1.31 2jj1G1 LYS 172 HD2 -0.05 -0.07 -0.02 -0.04 1.69 1.51 2jj1G1 LYS 172 HD3 -0.06 0.04 -0.06 -0.04 1.68 1.57 2jj1G1 LYS 172 HE2 -0.06 0.20 -0.03 -0.04 2.99 3.06 2jj1G1 LYS 172 HE3 -0.05 -0.07 -0.00 -0.04 2.99 2.82 2jj1G1 THR 173 H -0.07 0.09 0.05 -0.55 8.28 7.81 2jj1G1 THR 173 HA -0.12 0.26 0.60 -0.75 4.39 4.38 2jj1G1 THR 173 HB -0.05 -0.00 0.06 -0.04 4.32 4.29 2jj1G1 THR 173 HG23 -0.05 0.04 -0.11 -0.04 1.22 1.06 2jj1G1 GLU 206 HA 0.05 0.03 0.23 -0.75 4.29 3.85 2jj1G1 GLU 206 HB2 0.07 -0.03 0.06 -0.04 2.09 2.15 2jj1G1 GLU 206 HB3 0.08 0.03 -0.04 -0.04 1.99 2.02 2jj1G1 GLU 206 HG2 0.04 0.03 0.05 -0.04 2.34 2.42 2jj1G1 GLU 206 HG3 0.04 0.00 0.06 -0.04 2.34 2.40 2jj1G1 TYR 207 H 0.18 0.22 0.16 -0.55 8.29 8.30 2jj1G1 TYR 207 HA 0.08 0.14 0.77 -0.75 4.56 4.80 2jj1G1 TYR 207 HB2 0.04 0.02 0.13 -0.04 3.06 3.21 2jj1G1 TYR 207 HB3 0.03 0.02 0.09 -0.04 2.98 3.08 2jj1G1 TYR 207 HD2 0.07 0.01 0.01 -0.04 7.15 7.19 2jj1G1 TYR 207 HE2 0.03 0.01 -0.01 -0.04 6.85 6.84 2jj1G1 SER 208 H 0.10 0.16 0.06 -0.55 8.46 8.24 2jj1G1 SER 208 HA -0.06 0.18 0.52 -0.75 4.49 4.38 2jj1G1 SER 208 HB2 -0.01 0.11 0.11 -0.04 3.95 4.12 2jj1G1 SER 208 HB3 0.03 -0.02 0.11 -0.04 3.93 4.01 2jj1G1 LEU 209 H 0.02 0.03 -0.77 -0.55 8.37 7.10 2jj1G1 LEU 209 HA -0.01 0.15 0.67 -0.75 4.35 4.41 2jj1G1 LEU 209 HB2 0.01 -0.00 0.02 -0.04 1.64 1.63 2jj1G1 LEU 209 HB3 0.02 0.16 0.09 -0.04 1.64 1.86 2jj1G1 LEU 209 HG -0.01 -0.00 -0.18 -0.04 1.64 1.41 2jj1G1 LEU 209 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 2jj1G1 LEU 209 HD23 0.01 0.01 -0.01 -0.04 0.89 0.86 2jj1G1 ALA 210 H -0.02 0.40 0.01 -0.55 8.40 8.25 2jj1G1 ALA 210 HA -0.12 0.08 0.50 -0.75 4.34 4.05 2jj1G1 ALA 210 HB3 -0.12 0.03 0.14 -0.04 1.41 1.43 2jj1G1 ASN 211 H -0.15 0.42 -0.32 -0.55 8.53 7.93 2jj1G1 ASN 211 HA -0.00 0.01 0.43 -0.75 4.76 4.44 2jj1G1 ASN 211 HB2 -0.11 -0.08 0.08 -0.04 2.88 2.73 2jj1G1 ASN 211 HB3 -0.06 0.15 -0.09 -0.04 2.79 2.75 2jj1G1 ASN 211 HD21 -0.28 -0.16 -0.03 -0.04 7.03 6.52 2jj1G1 ASN 211 HD22 -0.15 0.27 -0.02 -0.04 7.74 7.80 2jj1G1 ILE 212 H -0.04 0.28 -0.31 -0.55 8.25 7.63 2jj1G1 ILE 212 HA 0.00 0.06 0.33 -0.75 4.18 3.81 2jj1G1 ILE 212 HB -0.02 0.06 0.25 -0.04 1.89 2.14 2jj1G1 ILE 212 HG12 -0.04 0.15 0.07 -0.04 1.49 1.63 2jj1G1 ILE 212 HG13 -0.02 -0.06 0.42 -0.04 1.21 1.51 2jj1G1 ILE 212 HG23 -0.01 -0.01 2.87 -0.04 0.93 3.73 2jj1G1 ILE 212 HD13 -0.05 -0.01 -0.08 -0.04 0.88 0.70 2jj1G1 ILE 213 H -0.05 0.50 -0.20 -0.55 8.25 7.94 2jj1G1 ILE 213 HA -0.06 0.05 0.21 -0.75 4.18 3.62 2jj1G1 ILE 213 HB -0.09 0.09 0.15 -0.04 1.89 2.00 2jj1G1 ILE 213 HG12 -0.04 0.24 0.02 -0.04 1.49 1.66 2jj1G1 ILE 213 HG13 -0.04 -0.03 -0.00 -0.04 1.21 1.10 2jj1G1 ILE 213 HG23 -0.05 -0.00 -0.09 -0.04 0.93 0.75 2jj1G1 ILE 213 HD13 -0.02 -0.02 0.03 -0.04 0.88 0.84 2jj1G1 TYR 214 H -0.04 0.69 -0.11 -0.55 8.29 8.28 2jj1G1 TYR 214 HA -0.18 -0.03 0.30 -0.75 4.56 3.91 2jj1G1 TYR 214 HB2 -0.59 0.06 0.10 -0.04 3.06 2.59 2jj1G1 TYR 214 HB3 -0.20 0.12 0.12 -0.04 2.98 2.98 2jj1G1 TYR 214 HD2 -0.09 0.09 -0.17 -0.04 7.15 6.94 2jj1G1 TYR 214 HE2 -0.06 -0.09 -0.12 -0.04 6.85 6.54 2jj1G1 TYR 215 H 0.10 0.51 -0.23 -0.55 8.29 8.12 2jj1G1 TYR 215 HA -0.13 0.06 0.43 -0.75 4.56 4.17 2jj1G1 TYR 215 HB2 -0.00 0.09 0.11 -0.04 3.06 3.22 2jj1G1 TYR 215 HB3 -0.15 0.05 0.16 -0.04 2.98 2.99 2jj1G1 TYR 215 HD2 -0.16 0.12 -0.01 -0.04 7.15 7.06 2jj1G1 TYR 215 HE2 0.06 -0.05 0.01 -0.04 6.85 6.84 2jj1G1 SER 216 H -0.21 0.48 0.67 -0.55 8.46 8.85 2jj1G1 SER 216 HA -0.88 0.01 0.44 -0.75 4.49 3.31 2jj1G1 SER 216 HB2 -0.32 -0.05 -0.06 -0.04 3.95 3.48 2jj1G1 SER 216 HB3 -0.68 0.03 -1.12 -0.04 3.93 2.11 2jj1G1 LEU 217 H -0.20 0.60 -0.10 -0.55 8.37 8.12 2jj1G1 LEU 217 HA -0.10 0.03 0.44 -0.75 4.35 3.96 2jj1G1 LEU 217 HB2 -0.12 0.31 0.11 -0.04 1.64 1.91 2jj1G1 LEU 217 HB3 -0.19 0.05 0.05 -0.04 1.64 1.50 2jj1G1 LEU 217 HG -0.08 -0.08 -0.00 -0.04 1.64 1.44 2jj1G1 LEU 217 HD13 -0.04 -0.01 0.05 -0.04 0.93 0.89 2jj1G1 LEU 217 HD23 -0.04 0.00 -0.06 -0.04 0.89 0.75 2jj1G1 LYS 218 H -0.34 0.51 -0.20 -0.55 8.42 7.83 2jj1G1 LYS 218 HA -0.21 0.02 0.66 -0.75 4.32 4.04 2jj1G1 LYS 218 HB2 -0.44 0.19 0.13 -0.04 1.87 1.71 2jj1G1 LYS 218 HB3 -0.27 -0.05 0.05 -0.04 1.79 1.48 2jj1G1 LYS 218 HG2 -0.32 -0.01 0.03 -0.04 1.46 1.12 2jj1G1 LYS 218 HG3 -0.89 0.09 0.04 -0.04 1.46 0.65 2jj1G1 LYS 218 HD2 -0.42 -0.06 0.02 -0.04 1.69 1.19 2jj1G1 LYS 218 HD3 -0.38 -0.00 0.02 -0.04 1.68 1.28 2jj1G1 LYS 218 HE2 -0.10 0.03 0.01 -0.04 2.99 2.89 2jj1G1 LYS 218 HE3 -0.17 -0.06 0.01 -0.04 2.99 2.73 2jj1G1 GLU 219 H -0.30 0.40 -0.20 -0.55 8.60 7.95 2jj1G1 GLU 219 HA -0.11 -0.01 0.75 -0.75 4.29 4.16 2jj1G1 GLU 219 HB2 -0.31 0.14 0.29 -0.04 2.09 2.16 2jj1G1 GLU 219 HB3 0.07 0.01 0.16 -0.04 1.99 2.20 2jj1G1 GLU 219 HG2 -0.45 0.03 0.08 -0.04 2.34 1.96 2jj1G1 GLU 219 HG3 -0.89 0.01 0.02 -0.04 2.34 1.44 2jj1G1 SER 220 H -0.10 0.47 -0.11 -0.55 8.46 8.17 2jj1G1 SER 220 HA 0.01 0.01 0.50 -0.75 4.49 4.25 2jj1G1 SER 220 HB2 -0.00 0.10 0.16 -0.04 3.95 4.17 2jj1G1 SER 220 HB3 -0.05 0.19 0.26 -0.04 3.93 4.28 2jj1G1 THR 221 H -0.08 0.39 -0.07 -0.55 8.28 7.96 2jj1G1 THR 221 HA -0.05 0.02 0.50 -0.75 4.39 4.10 2jj1G1 THR 221 HB -0.05 -0.02 0.10 -0.04 4.32 4.31 2jj1G1 THR 221 HG23 -0.05 0.05 0.10 -0.04 1.22 1.27 2jj1G1 THR 222 H -0.09 0.33 -0.30 -0.55 8.28 7.67 2jj1G1 THR 222 HA -0.10 0.04 0.46 -0.75 4.39 4.04 2jj1G1 THR 222 HB -0.10 0.08 0.11 -0.04 4.32 4.37 2jj1G1 THR 222 HG23 -0.69 -0.03 -0.11 -0.04 1.22 0.35 2jj1G1 SER 223 H 0.00 0.47 -0.24 -0.55 8.46 8.15 2jj1G1 SER 223 HA 0.20 0.06 0.45 -0.75 4.49 4.44 2jj1G1 SER 223 HB2 -0.09 0.19 0.05 -0.04 3.95 4.05 2jj1G1 SER 223 HB3 -0.30 -0.10 -0.10 -0.04 3.93 3.38 2jj1G1 GLU 224 H -0.08 0.41 -0.24 -0.55 8.60 8.14 2jj1G1 GLU 224 HA -0.18 -0.01 0.43 -0.75 4.29 3.77 2jj1G1 GLU 224 HB2 -0.11 0.09 0.09 -0.04 2.09 2.12 2jj1G1 GLU 224 HB3 -0.06 0.07 0.23 -0.04 1.99 2.19 2jj1G1 GLU 224 HG2 -0.04 -0.01 -0.29 -0.04 2.34 1.97 2jj1G1 GLU 224 HG3 -0.08 -0.06 -0.05 -0.04 2.34 2.11 2jj1G1 GLN 225 H -0.02 0.66 0.02 -0.55 8.47 8.59 2jj1G1 GLN 225 HA -0.01 -0.04 0.41 -0.75 4.36 3.96 2jj1G1 GLN 225 HB2 0.09 0.08 -0.02 -0.04 2.15 2.26 2jj1G1 GLN 225 HB3 0.06 0.09 0.11 -0.04 2.02 2.23 2jj1G1 GLN 225 HG2 -0.01 0.15 0.10 -0.04 2.40 2.61 2jj1G1 GLN 225 HG3 0.01 0.04 -0.14 -0.04 2.39 2.25 2jj1G1 GLN 225 HE21 -0.00 -0.07 -0.07 -0.04 6.97 6.79 2jj1G1 GLN 225 HE22 -0.01 0.08 -0.01 -0.04 7.69 7.71 2jj1G1 SER 226 H 0.02 0.36 -0.52 -0.55 8.46 7.77 2jj1G1 SER 226 HA -0.44 -0.03 0.56 -0.75 4.49 3.83 2jj1G1 SER 226 HB2 0.11 0.24 0.17 -0.04 3.95 4.43 2jj1G1 SER 226 HB3 0.10 0.08 0.16 -0.04 3.93 4.22 2jj1G1 ALA 227 H -0.07 0.65 -0.06 -0.55 8.40 8.38 2jj1G1 ALA 227 HA 0.00 0.04 0.40 -0.75 4.34 4.03 2jj1G1 ALA 227 HB3 -0.10 0.00 0.08 -0.04 1.41 1.34 2jj1G1 ARG 228 H -0.05 0.84 0.06 -0.55 8.46 8.75 2jj1G1 ARG 228 HA -0.02 0.01 0.56 -0.75 4.34 4.14 2jj1G1 ARG 228 HB2 -0.02 0.00 0.05 -0.04 1.90 1.90 2jj1G1 ARG 228 HB3 -0.02 0.02 0.12 -0.04 1.80 1.88 2jj1G1 ARG 228 HG2 -0.00 -0.02 -0.12 -0.04 1.67 1.48 2jj1G1 ARG 228 HG3 -0.01 -0.10 -0.08 -0.04 1.67 1.44 2jj1G1 ARG 228 HD2 0.00 -0.11 -0.05 -0.04 3.22 3.03 2jj1G1 ARG 228 HD3 0.01 0.19 -0.10 -0.04 3.22 3.28 2jj1G1 MET 229 H -0.05 0.55 -0.26 -0.55 8.47 8.16 2jj1G1 MET 229 HA -0.02 -0.04 0.52 -0.75 4.52 4.22 2jj1G1 MET 229 HB2 -0.07 0.28 0.14 -0.04 2.15 2.46 2jj1G1 MET 229 HB3 -0.12 0.16 0.17 -0.04 2.03 2.20 2jj1G1 MET 229 HG2 -0.04 -0.09 -0.01 -0.04 2.63 2.45 2jj1G1 MET 229 HG3 -0.01 0.11 0.15 -0.04 2.56 2.77 2jj1G1 MET 229 HE3 -0.17 0.01 0.02 -0.04 2.10 1.92 2jj1G1 THR 230 H -0.05 0.53 -0.20 -0.55 8.28 8.01 2jj1G1 THR 230 HA -0.03 -0.03 0.41 -0.75 4.39 3.99 2jj1G1 THR 230 HB -0.01 0.15 0.23 -0.04 4.32 4.64 2jj1G1 THR 230 HG23 -0.00 -0.04 -0.08 -0.04 1.22 1.05 2jj1G1 ALA 231 H -0.01 0.88 0.07 -0.55 8.40 8.79 2jj1G1 ALA 231 HA 0.00 -0.04 0.39 -0.75 4.34 3.94 2jj1G1 ALA 231 HB3 0.00 0.01 0.05 -0.04 1.41 1.44 2jj1G1 MET 232 H -0.01 0.78 -0.02 -0.55 8.47 8.68 2jj1G1 MET 232 HA -0.00 -0.09 0.55 -0.75 4.52 4.22 2jj1G1 MET 232 HB2 -0.01 0.28 0.16 -0.04 2.15 2.54 2jj1G1 MET 232 HB3 -0.00 0.24 0.13 -0.04 2.03 2.35 2jj1G1 MET 232 HG2 -0.00 0.03 -0.01 -0.04 2.63 2.61 2jj1G1 MET 232 HG3 -0.00 -0.11 0.15 -0.04 2.56 2.56 2jj1G1 MET 232 HE3 0.00 -0.01 0.02 -0.04 2.10 2.07 2jj1G1 ASP 233 H -0.01 0.60 -0.10 -0.55 8.40 8.34 2jj1G1 ASP 233 HA -0.01 -0.01 0.56 -0.75 4.63 4.42 2jj1G1 ASP 233 HB2 -0.01 0.16 0.20 -0.04 2.71 3.01 2jj1G1 ASP 233 HB3 -0.01 0.15 0.23 -0.04 2.70 3.03 2jj1G1 ASN 234 H -0.01 0.63 -0.05 -0.55 8.53 8.56 2jj1G1 ASN 234 HA -0.00 -0.01 0.52 -0.75 4.76 4.51 2jj1G1 ASN 234 HB2 -0.00 0.12 0.19 -0.04 2.88 3.14 2jj1G1 ASN 234 HB3 -0.00 -0.07 0.06 -0.04 2.79 2.73 2jj1G1 ASN 234 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.92 2jj1G1 ASN 234 HD22 -0.00 -0.05 -0.03 -0.04 7.74 7.62 2jj1G1 ALA 235 H -0.00 0.78 0.10 -0.55 8.40 8.73 2jj1G1 ALA 235 HA 0.00 -0.01 0.53 -0.75 4.34 4.10 2jj1G1 ALA 235 HB3 0.00 0.01 0.13 -0.04 1.41 1.50 2jj1G1 SER 236 H -0.00 0.72 -0.15 -0.55 8.46 8.47 2jj1G1 SER 236 HA -0.00 -0.03 0.50 -0.75 4.49 4.21 2jj1G1 SER 236 HB2 -0.00 0.01 -0.04 -0.04 3.95 3.88 2jj1G1 SER 236 HB3 -0.00 0.13 0.16 -0.04 3.93 4.18 2jj1G1 LYS 237 H -0.00 0.55 -0.09 -0.55 8.42 8.33 2jj1G1 LYS 237 HA -0.00 0.01 0.48 -0.75 4.32 4.05 2jj1G1 LYS 237 HB2 -0.00 0.07 0.19 -0.04 1.87 2.09 2jj1G1 LYS 237 HB3 -0.00 -0.06 0.05 -0.04 1.79 1.73 2jj1G1 LYS 237 HG2 -0.00 -0.07 0.06 -0.04 1.46 1.41 2jj1G1 LYS 237 HG3 -0.00 0.30 0.13 -0.04 1.46 1.84 2jj1G1 LYS 237 HD2 -0.00 0.00 -0.05 -0.04 1.69 1.60 2jj1G1 LYS 237 HD3 -0.00 -0.04 0.01 -0.04 1.68 1.60 2jj1G1 LYS 237 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.92 2jj1G1 LYS 237 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.95 2jj1G1 ASN 238 H -0.00 0.74 -0.04 -0.55 8.53 8.68 2jj1G1 ASN 238 HA -0.00 -0.00 0.52 -0.75 4.76 4.52 2jj1G1 ASN 238 HB2 -0.00 0.15 0.23 -0.04 2.88 3.22 2jj1G1 ASN 238 HB3 0.00 -0.07 -0.01 -0.04 2.79 2.67 2jj1G1 ASN 238 HD21 -0.00 -0.04 -0.02 -0.04 7.03 6.93 2jj1G1 ASN 238 HD22 0.00 -0.03 -0.01 -0.04 7.74 7.66 2jj1G1 ALA 239 H -0.00 0.63 -0.10 -0.55 8.40 8.38 2jj1G1 ALA 239 HA -0.00 -0.03 0.44 -0.75 4.34 4.00 2jj1G1 ALA 239 HB3 -0.00 0.07 0.17 -0.04 1.41 1.61 2jj1G1 SER 240 H -0.00 0.54 -0.17 -0.55 8.46 8.28 2jj1G1 SER 240 HA -0.00 -0.00 0.46 -0.75 4.49 4.19 2jj1G1 SER 240 HB2 -0.00 0.21 0.23 -0.04 3.95 4.35 2jj1G1 SER 240 HB3 -0.00 0.02 0.11 -0.04 3.93 4.02 2jj1G1 GLU 241 H -0.00 0.65 -0.01 -0.55 8.60 8.69 2jj1G1 GLU 241 HA 0.00 -0.02 0.54 -0.75 4.29 4.05 2jj1G1 GLU 241 HB2 0.00 0.17 0.24 -0.04 2.09 2.46 2jj1G1 GLU 241 HB3 0.00 -0.06 0.02 -0.04 1.99 1.90 2jj1G1 GLU 241 HG2 0.00 -0.06 0.08 -0.04 2.34 2.32 2jj1G1 GLU 241 HG3 -0.00 0.05 0.10 -0.04 2.34 2.45 2jj1G1 MET 242 H -0.00 0.56 -0.22 -0.55 8.47 8.26 2jj1G1 MET 242 HA 0.00 -0.02 0.59 -0.75 4.52 4.34 2jj1G1 MET 242 HB2 0.00 0.09 0.11 -0.04 2.15 2.31 2jj1G1 MET 242 HB3 -0.00 0.13 0.10 -0.04 2.03 2.22 2jj1G1 MET 242 HG2 0.00 -0.04 -0.03 -0.04 2.63 2.52 2jj1G1 MET 242 HG3 0.00 -0.04 0.07 -0.04 2.56 2.55 2jj1G1 MET 242 HE3 0.00 0.00 -0.05 -0.04 2.10 2.02 2jj1G1 ILE 243 H -0.00 0.54 -0.11 -0.55 8.25 8.13 2jj1G1 ILE 243 HA -0.01 0.00 0.49 -0.75 4.18 3.91 2jj1G1 ILE 243 HB -0.01 0.17 0.25 -0.04 1.89 2.26 2jj1G1 ILE 243 HG12 -0.02 -0.07 -0.07 -0.04 1.49 1.29 2jj1G1 ILE 243 HG13 -0.01 0.15 -0.01 -0.04 1.21 1.30 2jj1G1 ILE 243 HG23 -0.02 -0.03 -0.08 -0.04 0.93 0.77 2jj1G1 ILE 243 HD13 -0.01 0.00 -0.02 -0.04 0.88 0.81 2jj1G1 ASP 244 H -0.00 0.50 -0.05 -0.55 8.40 8.30 2jj1G1 ASP 244 HA 0.00 0.00 0.37 -0.75 4.63 4.26 2jj1G1 ASP 244 HB2 0.00 0.16 0.19 -0.04 2.71 3.02 2jj1G1 ASP 244 HB3 0.01 -0.04 0.02 -0.04 2.70 2.65 2jj1G1 LYS 245 H 0.01 0.46 -0.15 -0.55 8.42 8.18 2jj1G1 LYS 245 HA 0.02 0.00 0.36 -0.75 4.32 3.94 2jj1G1 LYS 245 HB2 0.01 0.16 0.18 -0.04 1.87 2.18 2jj1G1 LYS 245 HB3 0.01 0.06 0.09 -0.04 1.79 1.91 2jj1G1 LYS 245 HG2 0.01 -0.02 -0.03 -0.04 1.46 1.39 2jj1G1 LYS 245 HG3 0.01 -0.05 0.09 -0.04 1.46 1.47 2jj1G1 LYS 245 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 2jj1G1 LYS 245 HD3 0.01 0.05 0.02 -0.04 1.68 1.72 2jj1G1 LYS 245 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.94 2jj1G1 LYS 245 HE3 0.01 0.02 -0.00 -0.04 2.99 2.98 2jj1G1 LEU 246 H 0.01 0.57 -0.20 -0.55 8.37 8.21 2jj1G1 LEU 246 HA 0.04 0.01 0.62 -0.75 4.35 4.27 2jj1G1 LEU 246 HB2 0.01 0.19 0.15 -0.04 1.64 1.95 2jj1G1 LEU 246 HB3 0.03 -0.07 0.02 -0.04 1.64 1.58 2jj1G1 LEU 246 HG 0.01 0.07 0.04 -0.04 1.64 1.73 2jj1G1 LEU 246 HD13 0.01 -0.01 -0.11 -0.04 0.93 0.78 2jj1G1 LEU 246 HD23 0.03 -0.02 0.01 -0.04 0.89 0.86 2jj1G1 THR 247 H 0.02 0.55 -0.16 -0.55 8.28 8.14 2jj1G1 THR 247 HA 0.03 -0.02 0.44 -0.75 4.39 4.09 2jj1G1 THR 247 HB 0.02 0.10 0.15 -0.04 4.32 4.55 2jj1G1 THR 247 HG23 0.00 -0.03 -0.01 -0.04 1.22 1.14 2jj1G1 LEU 248 H 0.04 0.61 -0.09 -0.55 8.37 8.38 2jj1G1 LEU 248 HA 0.05 0.02 0.48 -0.75 4.35 4.14 2jj1G1 LEU 248 HB2 0.03 0.12 0.16 -0.04 1.64 1.90 2jj1G1 LEU 248 HB3 0.02 -0.05 0.04 -0.04 1.64 1.61 2jj1G1 LEU 248 HG 0.02 0.26 0.04 -0.04 1.64 1.92 2jj1G1 LEU 248 HD13 0.01 -0.02 -0.04 -0.04 0.93 0.85 2jj1G1 LEU 248 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83 2jj1G1 THR 249 H 0.05 0.52 -0.11 -0.55 8.28 8.19 2jj1G1 THR 249 HA 0.03 -0.00 0.38 -0.75 4.39 4.05 2jj1G1 THR 249 HB 0.06 0.08 0.20 -0.04 4.32 4.62 2jj1G1 THR 249 HG23 0.03 -0.02 -0.10 -0.04 1.22 1.09 2jj1G1 PHE 250 H 0.20 0.80 -0.10 -0.55 8.34 8.68 2jj1G1 PHE 250 HA -0.00 -0.05 0.35 -0.75 4.62 4.17 2jj1G1 PHE 250 HB2 0.00 0.08 0.11 -0.04 3.15 3.30 2jj1G1 PHE 250 HB3 0.00 0.16 0.18 -0.04 3.06 3.36 2jj1G1 PHE 250 HD2 0.00 0.02 -0.05 -0.04 7.28 7.21 2jj1G1 PHE 250 HE2 0.00 0.01 0.00 -0.04 7.38 7.35 2jj1G1 PHE 250 HZ 0.00 -0.00 -0.01 -0.04 7.32 7.27 2jj1G1 ASN 251 H 0.17 0.52 -0.22 -0.55 8.53 8.46 2jj1G1 ASN 251 HA -0.07 -0.04 0.40 -0.75 4.76 4.29 2jj1G1 ASN 251 HB2 0.07 0.17 0.16 -0.04 2.88 3.25 2jj1G1 ASN 251 HB3 0.04 -0.05 0.05 -0.04 2.79 2.79 2jj1G1 ASN 251 HD21 0.12 -0.05 0.02 -0.04 7.03 7.07 2jj1G1 ASN 251 HD22 0.09 0.02 0.02 -0.04 7.74 7.83 2jj1G1 ARG 252 H 0.01 0.60 -0.06 -0.55 8.46 8.46 2jj1G1 ARG 252 HA -0.02 0.00 0.64 -0.75 4.34 4.21 2jj1G1 ARG 252 HB2 -0.00 0.11 0.19 -0.04 1.90 2.15 2jj1G1 ARG 252 HB3 -0.01 -0.06 0.05 -0.04 1.80 1.74 2jj1G1 ARG 252 HG2 -0.00 -0.05 0.05 -0.04 1.67 1.63 2jj1G1 ARG 252 HG3 0.01 0.15 0.04 -0.04 1.67 1.83 2jj1G1 ARG 252 HD2 -0.00 -0.03 0.01 -0.04 3.22 3.16 2jj1G1 ARG 252 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2jj1G1 THR 253 H -0.08 0.76 -0.10 -0.55 8.28 8.31 2jj1G1 THR 253 HA -0.07 0.02 0.55 -0.75 4.39 4.13 2jj1G1 THR 253 HB -0.19 0.09 0.16 -0.04 4.32 4.34 2jj1G1 THR 253 HG23 -0.08 -0.04 -0.01 -0.04 1.22 1.04 2jj1G1 ARG 254 H -0.32 1.08 0.25 -0.55 8.46 8.92 2jj1G1 ARG 254 HA -0.26 -0.07 0.38 -0.75 4.34 3.63 2jj1G1 ARG 254 HB2 -0.80 -0.00 0.09 -0.04 1.90 1.14 2jj1G1 ARG 254 HB3 -0.25 0.02 0.21 -0.04 1.80 1.74 2jj1G1 ARG 254 HG2 -0.10 -0.02 -0.14 -0.04 1.67 1.36 2jj1G1 ARG 254 HG3 -0.16 -0.04 0.03 -0.04 1.67 1.45 2jj1G1 ARG 254 HD2 0.10 -0.02 -0.01 -0.04 3.22 3.25 2jj1G1 ARG 254 HD3 -0.01 0.02 0.02 -0.04 3.22 3.21 2jj1G1 GLN 255 H -0.09 0.69 -0.18 -0.55 8.47 8.34 2jj1G1 GLN 255 HA -0.04 -0.01 0.47 -0.75 4.36 4.02 2jj1G1 GLN 255 HB2 -0.03 0.13 0.19 -0.04 2.15 2.39 2jj1G1 GLN 255 HB3 -0.02 -0.07 0.03 -0.04 2.02 1.92 2jj1G1 GLN 255 HG2 -0.02 -0.07 0.05 -0.04 2.40 2.32 2jj1G1 GLN 255 HG3 -0.03 0.19 0.12 -0.04 2.39 2.63 2jj1G1 GLN 255 HE21 0.00 -0.02 -0.01 -0.04 6.97 6.90 2jj1G1 GLN 255 HE22 0.00 -0.01 -0.00 -0.04 7.69 7.64 2jj1G1 ALA 256 H -0.05 0.49 -0.09 -0.55 8.40 8.20 2jj1G1 ALA 256 HA -0.03 -0.02 0.55 -0.75 4.34 4.09 2jj1G1 ALA 256 HB3 -0.03 0.02 0.16 -0.04 1.41 1.52 2jj1G1 VAL 257 H -0.07 0.72 -0.02 -0.55 8.24 8.33 2jj1G1 VAL 257 HA -0.04 -0.01 0.39 -0.75 4.13 3.72 2jj1G1 VAL 257 HB -0.08 0.14 0.16 -0.04 2.12 2.30 2jj1G1 VAL 257 HG13 -0.04 -0.02 -0.11 -0.04 0.97 0.77 2jj1G1 VAL 257 HG23 -0.06 0.01 0.06 -0.04 0.95 0.91 2jj1G1 ILE 258 H -0.05 0.45 -0.18 -0.55 8.25 7.92 2jj1G1 ILE 258 HA -0.02 0.00 0.36 -0.75 4.18 3.76 2jj1G1 ILE 258 HB -0.03 0.12 0.22 -0.04 1.89 2.17 2jj1G1 ILE 258 HG12 -0.03 -0.07 0.05 -0.04 1.49 1.40 2jj1G1 ILE 258 HG13 -0.05 0.24 0.17 -0.04 1.21 1.53 2jj1G1 ILE 258 HG23 -0.01 -0.02 -0.08 -0.04 0.93 0.78 2jj1G1 ILE 258 HD13 -0.02 -0.02 0.01 -0.04 0.88 0.80 2jj1G1 THR 259 H -0.02 0.62 0.05 -0.55 8.28 8.38 2jj1G1 THR 259 HA -0.01 -0.02 0.42 -0.75 4.39 4.02 2jj1G1 THR 259 HB -0.02 0.07 0.18 -0.04 4.32 4.52 2jj1G1 THR 259 HG23 -0.01 -0.03 0.01 -0.04 1.22 1.16 2jj1G1 LYS 260 H -0.02 0.87 -0.11 -0.55 8.42 8.61 2jj1G1 LYS 260 HA -0.01 -0.05 0.39 -0.75 4.32 3.89 2jj1G1 LYS 260 HB2 -0.02 -0.02 0.11 -0.04 1.87 1.91 2jj1G1 LYS 260 HB3 -0.02 0.11 0.20 -0.04 1.79 2.04 2jj1G1 LYS 260 HG2 -0.01 -0.00 -0.29 -0.04 1.46 1.11 2jj1G1 LYS 260 HG3 -0.01 -0.05 0.04 -0.04 1.46 1.39 2jj1G1 LYS 260 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 2jj1G1 LYS 260 HD3 -0.02 0.00 -0.00 -0.04 1.68 1.62 2jj1G1 LYS 260 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2jj1G1 LYS 260 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 2jj1G1 GLU 261 H -0.02 0.75 -0.04 -0.55 8.60 8.76 2jj1G1 GLU 261 HA -0.01 -0.03 0.42 -0.75 4.29 3.92 2jj1G1 GLU 261 HB2 -0.01 -0.02 0.16 -0.04 2.09 2.17 2jj1G1 GLU 261 HB3 -0.01 0.21 0.22 -0.04 1.99 2.36 2jj1G1 GLU 261 HG2 -0.01 -0.01 -0.12 -0.04 2.34 2.16 2jj1G1 GLU 261 HG3 -0.01 -0.06 0.10 -0.04 2.34 2.34 2jj1G1 LEU 262 H -0.01 0.45 -0.37 -0.55 8.37 7.90 2jj1G1 LEU 262 HA -0.01 0.03 0.45 -0.75 4.35 4.07 2jj1G1 LEU 262 HB2 -0.01 0.10 0.11 -0.04 1.64 1.80 2jj1G1 LEU 262 HB3 -0.01 0.10 0.19 -0.04 1.64 1.88 2jj1G1 LEU 262 HG -0.01 -0.02 -0.02 -0.04 1.64 1.55 2jj1G1 LEU 262 HD13 -0.00 -0.03 0.07 -0.04 0.93 0.93 2jj1G1 LEU 262 HD23 -0.01 -0.01 -0.01 -0.04 0.89 0.83 2jj1G1 ILE 263 H -0.01 0.62 0.13 -0.55 8.25 8.45 2jj1G1 ILE 263 HA -0.01 -0.01 0.49 -0.75 4.18 3.90 2jj1G1 ILE 263 HB -0.01 0.10 0.15 -0.04 1.89 2.09 2jj1G1 ILE 263 HG12 -0.01 -0.04 0.05 -0.04 1.49 1.45 2jj1G1 ILE 263 HG13 -0.01 0.09 0.11 -0.04 1.21 1.37 2jj1G1 ILE 263 HG23 -0.01 -0.01 -0.00 -0.04 0.93 0.87 2jj1G1 ILE 263 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.80 2jj1G1 GLU 264 H -0.01 0.50 -0.24 -0.55 8.60 8.31 2jj1G1 GLU 264 HA -0.00 0.01 0.46 -0.75 4.29 4.01 2jj1G1 GLU 264 HB2 -0.01 0.17 0.13 -0.04 2.09 2.34 2jj1G1 GLU 264 HB3 -0.01 -0.04 -0.01 -0.04 1.99 1.90 2jj1G1 GLU 264 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.29 2jj1G1 GLU 264 HG3 -0.01 0.08 0.07 -0.04 2.34 2.44 2jj1G1 ILE 265 H -0.01 0.36 -0.21 -0.55 8.25 7.84 2jj1G1 ILE 265 HA -0.00 0.03 0.48 -0.75 4.18 3.93 2jj1G1 ILE 265 HB -0.00 0.12 0.21 -0.04 1.89 2.18 2jj1G1 ILE 265 HG12 -0.00 -0.07 0.06 -0.04 1.49 1.44 2jj1G1 ILE 265 HG13 -0.00 0.12 0.16 -0.04 1.21 1.44 2jj1G1 ILE 265 HG23 -0.00 -0.02 -0.03 -0.04 0.93 0.83 2jj1G1 ILE 265 HD13 -0.00 -0.04 0.01 -0.04 0.88 0.80 2jj1G1 ILE 266 H -0.00 0.53 -0.07 -0.55 8.25 8.15 2jj1G1 ILE 266 HA -0.00 0.01 0.38 -0.75 4.18 3.82 2jj1G1 ILE 266 HB -0.00 0.07 0.23 -0.04 1.89 2.15 2jj1G1 ILE 266 HG12 -0.00 0.18 0.07 -0.04 1.49 1.70 2jj1G1 ILE 266 HG13 -0.00 -0.04 0.00 -0.04 1.21 1.13 2jj1G1 ILE 266 HG23 -0.00 -0.01 -0.10 -0.04 0.93 0.78 2jj1G1 ILE 266 HD13 -0.00 -0.01 -0.00 -0.04 0.88 0.82 2jj1G1 SER 267 H -0.00 0.61 0.04 -0.55 8.46 8.57 2jj1G1 SER 267 HA -0.00 -0.01 0.45 -0.75 4.49 4.16 2jj1G1 SER 267 HB2 -0.00 0.10 0.12 -0.04 3.95 4.13 2jj1G1 SER 267 HB3 -0.00 -0.04 0.06 -0.04 3.93 3.90 2jj1G1 GLY 268 H -0.00 0.35 -0.49 -0.55 8.43 7.74 2jj1G1 GLY 268 HA2 -0.00 -0.00 0.41 -0.51 4.01 3.91 2jj1G1 GLY 268 HA3 -0.00 0.07 0.31 -0.51 4.01 3.88 2jj1G1 ALA 269 H -0.00 0.48 -0.01 -0.55 8.40 8.32 2jj1G1 ALA 269 HA -0.00 0.05 0.59 -0.75 4.34 4.22 2jj1G1 ALA 269 HB3 -0.00 -0.00 0.11 -0.04 1.41 1.48 2jj1G1 ALA 270 H -0.00 0.67 0.02 -0.55 8.40 8.53 2jj1G1 ALA 270 HA -0.00 0.04 0.48 -0.75 4.34 4.10 2jj1G1 ALA 270 HB3 -0.00 -0.01 0.07 -0.04 1.41 1.42 2jj1G1 ALA 271 H -0.00 0.38 -0.29 -0.55 8.40 7.95 2jj1G1 ALA 271 HA -0.00 0.02 0.40 -0.75 4.34 4.00 2jj1G1 ALA 271 HB3 -0.00 0.02 0.09 -0.04 1.41 1.47 2jj1G1 LEU 272 H -0.00 0.26 -0.57 -0.55 8.37 7.52 2jj1G1 LEU 272 HA -0.00 0.04 0.29 -0.75 4.35 3.92 2jj1G1 LEU 272 HB2 -0.00 0.15 0.08 -0.04 1.64 1.83 2jj1G1 LEU 272 HB3 -0.00 -0.08 0.07 -0.04 1.64 1.59 2jj1G1 LEU 272 HG -0.00 0.18 0.12 -0.04 1.64 1.90 2jj1G1 LEU 272 HD13 -0.00 -0.01 0.08 -0.04 0.93 0.96 2jj1G1 LEU 272 HD23 -0.00 -0.03 0.01 -0.04 0.89 0.83