============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 23 1.000 0.482 -3.022 2.200 -99.200 -91.000 PHE 32 1.000 -6.612 2.694 3.711 -99.200 -91.000 PHE 38 1.000 1.168 0.099 10.002 -99.200 -91.000 PHE 41 1.000 -3.824 -1.230 5.876 -99.200 -91.000 HIS 45 0.900 -7.937 -4.788 4.793 -99.200 -91.000 PHE 51 1.000 -1.233 -6.724 7.003 -99.200 -91.000 PHE 64 1.000 -2.306 3.665 6.459 -99.200 -91.000 PHE 67 1.000 -4.350 3.364 -0.237 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2e71A9 GLY 710 HA2 -0.01 -0.04 0.12 -0.51 4.01 3.57 2e71A9 GLY 710 HA3 -0.00 -0.01 0.21 -0.51 4.01 3.69 2e71A9 SER 711 H -0.00 0.22 0.04 -0.55 8.46 8.17 2e71A9 SER 711 HA -0.00 0.08 0.65 -0.75 4.49 4.46 2e71A9 SER 711 HB2 -0.00 -0.01 -0.07 -0.04 3.95 3.83 2e71A9 SER 711 HB3 -0.00 0.13 -0.15 -0.04 3.93 3.86 2e71A9 SER 712 H -0.00 0.20 0.07 -0.55 8.46 8.18 2e71A9 SER 712 HA -0.00 0.03 0.70 -0.75 4.49 4.46 2e71A9 SER 712 HB2 -0.00 -0.00 -0.01 -0.04 3.95 3.90 2e71A9 SER 712 HB3 -0.00 0.01 0.05 -0.04 3.93 3.95 2e71A9 GLY 713 H -0.00 0.03 0.19 -0.55 8.43 8.11 2e71A9 GLY 713 HA2 -0.00 0.23 0.80 -0.51 4.01 4.53 2e71A9 GLY 713 HA3 -0.00 0.03 0.24 -0.51 4.01 3.76 2e71A9 SER 714 H -0.01 0.07 0.18 -0.55 8.46 8.16 2e71A9 SER 714 HA -0.01 0.05 0.39 -0.75 4.49 4.16 2e71A9 SER 714 HB2 -0.01 -0.06 0.21 -0.04 3.95 4.05 2e71A9 SER 714 HB3 -0.02 -0.02 0.03 -0.04 3.93 3.88 2e71A9 SER 715 H -0.01 -0.06 -0.15 -0.55 8.46 7.69 2e71A9 SER 715 HA -0.01 -0.07 0.26 -0.75 4.49 3.91 2e71A9 SER 715 HB2 -0.01 -0.03 0.05 -0.04 3.95 3.92 2e71A9 SER 715 HB3 -0.01 -0.03 0.05 -0.04 3.93 3.89 2e71A9 GLY 716 H -0.01 -0.01 -0.00 -0.55 8.43 7.86 2e71A9 GLY 716 HA2 -0.01 0.27 0.70 -0.51 4.01 4.46 2e71A9 GLY 716 HA3 -0.01 -0.04 0.37 -0.51 4.01 3.83 2e71A9 GLU 717 H -0.01 0.18 0.12 -0.55 8.60 8.36 2e71A9 GLU 717 HA -0.00 0.19 0.91 -0.75 4.29 4.63 2e71A9 GLU 717 HB2 -0.00 -0.00 0.18 -0.04 2.09 2.22 2e71A9 GLU 717 HB3 -0.00 -0.00 -0.00 -0.04 1.99 1.94 2e71A9 GLU 717 HG2 -0.00 0.01 -0.13 -0.04 2.34 2.17 2e71A9 GLU 717 HG3 -0.00 0.02 -0.01 -0.04 2.34 2.31 2e71A9 ARG 718 H -0.01 0.27 0.06 -0.55 8.46 8.24 2e71A9 ARG 718 HA -0.01 0.17 0.92 -0.75 4.34 4.67 2e71A9 ARG 718 HB2 -0.01 -0.02 0.03 -0.04 1.90 1.87 2e71A9 ARG 718 HB3 -0.01 -0.02 -0.05 -0.04 1.80 1.68 2e71A9 ARG 718 HG2 -0.01 0.04 0.13 -0.04 1.67 1.79 2e71A9 ARG 718 HG3 -0.00 0.01 0.19 -0.04 1.67 1.83 2e71A9 ARG 718 HD2 -0.01 -0.04 0.01 -0.04 3.22 3.14 2e71A9 ARG 718 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.13 2e71A9 ARG 719 H -0.01 0.26 0.00 -0.55 8.46 8.17 2e71A9 ARG 719 HA -0.00 0.19 0.92 -0.75 4.34 4.69 2e71A9 ARG 719 HB2 -0.00 0.03 -0.04 -0.04 1.90 1.84 2e71A9 ARG 719 HB3 -0.00 0.01 0.14 -0.04 1.80 1.91 2e71A9 ARG 719 HG2 -0.00 -0.04 -0.30 -0.04 1.67 1.28 2e71A9 ARG 719 HG3 -0.00 0.03 -0.05 -0.04 1.67 1.61 2e71A9 ARG 719 HD2 -0.00 0.00 -0.03 -0.04 3.22 3.15 2e71A9 ARG 719 HD3 -0.00 0.02 -0.01 -0.04 3.22 3.19 2e71A9 GLU 720 H -0.00 0.31 0.05 -0.55 8.60 8.41 2e71A9 GLU 720 HA -0.00 0.11 0.87 -0.75 4.29 4.51 2e71A9 GLU 720 HB2 -0.01 0.01 -0.18 -0.04 2.09 1.87 2e71A9 GLU 720 HB3 -0.00 -0.02 0.10 -0.04 1.99 2.02 2e71A9 GLU 720 HG2 -0.00 -0.15 0.01 -0.04 2.34 2.15 2e71A9 GLU 720 HG3 -0.00 0.04 -0.13 -0.04 2.34 2.21 2e71A9 LYS 721 H -0.00 0.14 0.11 -0.55 8.42 8.11 2e71A9 LYS 721 HA 0.00 0.12 0.50 -0.75 4.32 4.18 2e71A9 LYS 721 HB2 -0.00 0.01 0.13 -0.04 1.87 1.97 2e71A9 LYS 721 HB3 -0.00 -0.05 0.13 -0.04 1.79 1.82 2e71A9 LYS 721 HG2 0.00 0.02 0.05 -0.04 1.46 1.49 2e71A9 LYS 721 HG3 0.00 0.02 0.01 -0.04 1.46 1.45 2e71A9 LYS 721 HD2 0.00 0.01 -0.42 -0.04 1.69 1.24 2e71A9 LYS 721 HD3 0.00 0.02 -0.05 -0.04 1.68 1.61 2e71A9 LYS 721 HE2 0.00 0.02 -0.02 -0.04 2.99 2.95 2e71A9 LYS 721 HE3 0.00 -0.04 -0.07 -0.04 2.99 2.84 2e71A9 LYS 722 H -0.00 0.00 0.04 -0.55 8.42 7.91 2e71A9 LYS 722 HA 0.00 0.10 0.40 -0.75 4.32 4.07 2e71A9 LYS 722 HB2 0.00 0.01 0.10 -0.04 1.87 1.94 2e71A9 LYS 722 HB3 0.00 -0.03 -0.09 -0.04 1.79 1.63 2e71A9 LYS 722 HG2 0.00 0.04 -0.04 -0.04 1.46 1.42 2e71A9 LYS 722 HG3 0.00 -0.04 0.01 -0.04 1.46 1.39 2e71A9 LYS 722 HD2 0.00 0.00 0.04 -0.04 1.69 1.70 2e71A9 LYS 722 HD3 0.00 0.01 0.02 -0.04 1.68 1.67 2e71A9 LYS 722 HE2 0.00 0.02 0.01 -0.04 2.99 2.99 2e71A9 LYS 722 HE3 0.00 0.02 0.01 -0.04 2.99 2.98 2e71A9 ASN 723 H 0.00 0.17 0.12 -0.55 8.53 8.27 2e71A9 ASN 723 HA 0.00 0.08 0.58 -0.75 4.76 4.67 2e71A9 ASN 723 HB2 0.01 0.03 0.24 -0.04 2.88 3.12 2e71A9 ASN 723 HB3 0.01 -0.03 0.09 -0.04 2.79 2.81 2e71A9 ASN 723 HD21 0.01 -0.03 0.02 -0.04 7.03 6.98 2e71A9 ASN 723 HD22 0.00 0.05 0.03 -0.04 7.74 7.79 2e71A9 LYS 724 H 0.00 0.25 0.20 -0.55 8.42 8.32 2e71A9 LYS 724 HA 0.00 0.25 0.91 -0.75 4.32 4.73 2e71A9 LYS 724 HB2 -0.00 -0.00 0.03 -0.04 1.87 1.85 2e71A9 LYS 724 HB3 -0.01 0.05 -0.04 -0.04 1.79 1.76 2e71A9 LYS 724 HG2 0.00 0.07 -0.07 -0.04 1.46 1.42 2e71A9 LYS 724 HG3 0.00 -0.08 -0.49 -0.04 1.46 0.85 2e71A9 LYS 724 HD2 -0.00 -0.04 -0.08 -0.04 1.69 1.53 2e71A9 LYS 724 HD3 -0.01 0.02 -0.04 -0.04 1.68 1.61 2e71A9 LYS 724 HE2 0.00 -0.02 -0.06 -0.04 2.99 2.87 2e71A9 LYS 724 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.93 2e71A9 ILE 725 H -0.00 0.15 0.16 -0.55 8.25 8.01 2e71A9 ILE 725 HA -0.01 0.10 0.40 -0.75 4.18 3.91 2e71A9 ILE 725 HB -0.00 -0.03 0.16 -0.04 1.89 1.98 2e71A9 ILE 725 HG12 -0.01 0.02 0.04 -0.04 1.49 1.49 2e71A9 ILE 725 HG13 -0.01 -0.06 0.11 -0.04 1.21 1.22 2e71A9 ILE 725 HG23 -0.01 0.01 -0.06 -0.04 0.93 0.84 2e71A9 ILE 725 HD13 -0.01 0.03 -0.01 -0.04 0.88 0.85 2e71A9 MET 726 H 0.01 0.10 -0.09 -0.55 8.47 7.94 2e71A9 MET 726 HA 0.02 0.09 0.31 -0.75 4.52 4.19 2e71A9 MET 726 HB2 0.01 -0.08 0.03 -0.04 2.15 2.07 2e71A9 MET 726 HB3 0.02 0.09 -0.08 -0.04 2.03 2.02 2e71A9 MET 726 HG2 0.01 0.06 0.01 -0.04 2.63 2.67 2e71A9 MET 726 HG3 0.01 -0.05 0.03 -0.04 2.56 2.51 2e71A9 MET 726 HE3 0.01 -0.02 0.04 -0.04 2.10 2.08 2e71A9 GLN 727 H 0.01 0.01 -0.43 -0.55 8.47 7.52 2e71A9 GLN 727 HA 0.03 0.05 0.29 -0.75 4.36 3.97 2e71A9 GLN 727 HB2 0.02 0.02 0.02 -0.04 2.15 2.17 2e71A9 GLN 727 HB3 0.01 0.07 0.08 -0.04 2.02 2.14 2e71A9 GLN 727 HG2 0.02 0.02 -0.18 -0.04 2.40 2.22 2e71A9 GLN 727 HG3 0.02 -0.03 -0.01 -0.04 2.39 2.34 2e71A9 GLN 727 HE21 0.02 -0.02 0.00 -0.04 6.97 6.93 2e71A9 GLN 727 HE22 0.01 0.00 0.01 -0.04 7.69 7.68 2e71A9 ALA 728 H 0.01 0.62 -0.11 -0.55 8.40 8.38 2e71A9 ALA 728 HA 0.03 0.03 0.37 -0.75 4.34 4.02 2e71A9 ALA 728 HB3 -0.02 0.01 0.03 -0.04 1.41 1.40 2e71A9 LYS 729 H 0.02 0.70 0.03 -0.55 8.42 8.61 2e71A9 LYS 729 HA 0.08 -0.04 0.34 -0.75 4.32 3.95 2e71A9 LYS 729 HB2 0.03 0.16 0.12 -0.04 1.87 2.15 2e71A9 LYS 729 HB3 0.07 -0.03 -0.04 -0.04 1.79 1.75 2e71A9 LYS 729 HG2 0.02 -0.04 0.04 -0.04 1.46 1.44 2e71A9 LYS 729 HG3 -0.01 -0.00 0.05 -0.04 1.46 1.46 2e71A9 LYS 729 HD2 0.02 -0.03 -0.12 -0.04 1.69 1.52 2e71A9 LYS 729 HD3 0.03 0.02 -0.04 -0.04 1.68 1.65 2e71A9 LYS 729 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2e71A9 LYS 729 HE3 -0.01 -0.05 -0.03 -0.04 2.99 2.86 2e71A9 GLU 730 H 0.06 0.67 -0.40 -0.55 8.60 8.38 2e71A9 GLU 730 HA 0.07 -0.04 0.39 -0.75 4.29 3.96 2e71A9 GLU 730 HB2 0.05 0.28 0.21 -0.04 2.09 2.59 2e71A9 GLU 730 HB3 0.05 -0.06 -0.02 -0.04 1.99 1.91 2e71A9 GLU 730 HG2 0.04 0.11 0.01 -0.04 2.34 2.45 2e71A9 GLU 730 HG3 0.03 -0.07 -0.07 -0.04 2.34 2.19 2e71A9 ASP 731 H 0.08 0.57 0.02 -0.55 8.40 8.53 2e71A9 ASP 731 HA 0.08 -0.01 0.39 -0.75 4.63 4.33 2e71A9 ASP 731 HB2 0.10 0.18 0.14 -0.04 2.71 3.09 2e71A9 ASP 731 HB3 0.10 -0.12 0.06 -0.04 2.70 2.70 2e71A9 PHE 732 H 0.23 0.43 -0.53 -0.55 8.34 7.91 2e71A9 PHE 732 HA 0.08 0.06 0.49 -0.75 4.62 4.50 2e71A9 PHE 732 HB2 0.03 0.05 -0.01 -0.04 3.15 3.18 2e71A9 PHE 732 HB3 0.05 0.01 0.18 -0.04 3.06 3.27 2e71A9 PHE 732 HD2 0.07 0.00 -0.07 -0.04 7.28 7.24 2e71A9 PHE 732 HE2 0.17 0.00 -0.04 -0.04 7.38 7.47 2e71A9 PHE 732 HZ 0.54 0.02 -0.01 -0.04 7.32 7.82 2e71A9 LYS 733 H 0.24 0.68 0.18 -0.55 8.42 8.97 2e71A9 LYS 733 HA 0.08 -0.01 0.34 -0.75 4.32 3.98 2e71A9 LYS 733 HB2 0.10 0.07 0.11 -0.04 1.87 2.11 2e71A9 LYS 733 HB3 0.11 -0.01 0.03 -0.04 1.79 1.88 2e71A9 LYS 733 HG2 0.19 -0.05 0.05 -0.04 1.46 1.61 2e71A9 LYS 733 HG3 0.18 0.21 0.12 -0.04 1.46 1.93 2e71A9 LYS 733 HD2 0.08 -0.02 -0.08 -0.04 1.69 1.63 2e71A9 LYS 733 HD3 0.08 0.01 -0.02 -0.04 1.68 1.71 2e71A9 LYS 733 HE2 0.10 0.01 -0.01 -0.04 2.99 3.05 2e71A9 LYS 733 HE3 0.10 -0.04 -0.02 -0.04 2.99 2.98 2e71A9 LYS 734 H 0.07 0.51 -0.43 -0.55 8.42 8.01 2e71A9 LYS 734 HA 0.04 0.05 0.52 -0.75 4.32 4.17 2e71A9 LYS 734 HB2 0.05 0.15 0.08 -0.04 1.87 2.12 2e71A9 LYS 734 HB3 0.04 -0.04 -0.05 -0.04 1.79 1.70 2e71A9 LYS 734 HG2 0.05 -0.05 -0.03 -0.04 1.46 1.38 2e71A9 LYS 734 HG3 0.04 -0.02 -0.04 -0.04 1.46 1.40 2e71A9 LYS 734 HD2 0.03 -0.02 -0.03 -0.04 1.69 1.63 2e71A9 LYS 734 HD3 0.03 -0.00 0.01 -0.04 1.68 1.68 2e71A9 LYS 734 HE2 0.03 0.00 -0.05 -0.04 2.99 2.93 2e71A9 LYS 734 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.92 2e71A9 MET 735 H 0.02 0.37 -0.20 -0.55 8.47 8.11 2e71A9 MET 735 HA 0.01 -0.03 0.42 -0.75 4.52 4.17 2e71A9 MET 735 HB2 0.06 0.05 0.24 -0.04 2.15 2.45 2e71A9 MET 735 HB3 -0.03 0.05 0.33 -0.04 2.03 2.33 2e71A9 MET 735 HG2 -0.11 -0.00 -0.27 -0.04 2.63 2.21 2e71A9 MET 735 HG3 0.04 -0.07 0.06 -0.04 2.56 2.55 2e71A9 MET 735 HE3 0.16 0.00 -0.02 -0.04 2.10 2.20 2e71A9 MET 736 H -0.19 0.73 -0.17 -0.55 8.47 8.29 2e71A9 MET 736 HA -0.16 0.02 0.45 -0.75 4.52 4.08 2e71A9 MET 736 HB2 -0.44 0.09 0.03 -0.04 2.15 1.80 2e71A9 MET 736 HB3 -1.32 -0.02 -0.09 -0.04 2.03 0.56 2e71A9 MET 736 HG2 -0.05 -0.02 -0.04 -0.04 2.63 2.47 2e71A9 MET 736 HG3 -0.75 0.04 -0.06 -0.04 2.56 1.76 2e71A9 MET 736 HE3 -0.15 0.01 -0.20 -0.04 2.10 1.71 2e71A9 GLU 737 H 0.05 0.42 -0.16 -0.55 8.60 8.36 2e71A9 GLU 737 HA 0.29 -0.01 0.35 -0.75 4.29 4.17 2e71A9 GLU 737 HB2 0.07 0.10 0.27 -0.04 2.09 2.48 2e71A9 GLU 737 HB3 0.04 -0.04 -0.01 -0.04 1.99 1.95 2e71A9 GLU 737 HG2 0.07 -0.05 0.07 -0.04 2.34 2.40 2e71A9 GLU 737 HG3 0.16 0.22 0.13 -0.04 2.34 2.81 2e71A9 GLU 738 H 0.02 0.43 -0.36 -0.55 8.60 8.14 2e71A9 GLU 738 HA 0.02 0.05 0.47 -0.75 4.29 4.07 2e71A9 GLU 738 HB2 0.02 0.09 0.09 -0.04 2.09 2.26 2e71A9 GLU 738 HB3 0.03 -0.05 0.01 -0.04 1.99 1.93 2e71A9 GLU 738 HG2 0.02 0.12 0.05 -0.04 2.34 2.49 2e71A9 GLU 738 HG3 0.03 -0.07 -0.01 -0.04 2.34 2.25 2e71A9 ALA 739 H -0.01 0.34 -0.14 -0.55 8.40 8.04 2e71A9 ALA 739 HA 0.12 -0.04 0.33 -0.75 4.34 3.99 2e71A9 ALA 739 HB3 0.07 -0.03 0.13 -0.04 1.41 1.53 2e71A9 LYS 740 H -0.03 0.37 -0.42 -0.55 8.42 7.78 2e71A9 LYS 740 HA -0.07 0.02 0.27 -0.75 4.32 3.79 2e71A9 LYS 740 HB2 0.04 0.18 -0.04 -0.04 1.87 2.00 2e71A9 LYS 740 HB3 0.01 -0.11 0.21 -0.04 1.79 1.85 2e71A9 LYS 740 HG2 -0.01 -0.09 0.06 -0.04 1.46 1.38 2e71A9 LYS 740 HG3 0.01 0.20 -0.10 -0.04 1.46 1.53 2e71A9 LYS 740 HD2 0.02 0.02 -0.01 -0.04 1.69 1.69 2e71A9 LYS 740 HD3 0.01 -0.12 0.03 -0.04 1.68 1.56 2e71A9 LYS 740 HE2 0.00 -0.06 0.04 -0.04 2.99 2.93 2e71A9 LYS 740 HE3 0.02 0.12 0.12 -0.04 2.99 3.20 2e71A9 PHE 741 H -0.33 0.02 -0.18 -0.55 8.34 7.30 2e71A9 PHE 741 HA 0.12 0.15 0.48 -0.75 4.62 4.61 2e71A9 PHE 741 HB2 0.18 -0.10 0.06 -0.04 3.15 3.25 2e71A9 PHE 741 HB3 0.19 0.03 -0.05 -0.04 3.06 3.19 2e71A9 PHE 741 HD2 0.09 0.06 -0.48 -0.04 7.28 6.91 2e71A9 PHE 741 HE2 -0.43 -0.03 -0.17 -0.04 7.38 6.72 2e71A9 PHE 741 HZ -0.59 -0.03 -0.10 -0.04 7.32 6.56 2e71A9 ASN 742 H 0.37 0.06 0.12 -0.55 8.53 8.54 2e71A9 ASN 742 HA 0.18 0.30 0.73 -0.75 4.76 5.21 2e71A9 ASN 742 HB2 0.17 -0.05 0.10 -0.04 2.88 3.05 2e71A9 ASN 742 HB3 0.13 -0.09 0.04 -0.04 2.79 2.83 2e71A9 ASN 742 HD21 0.09 -0.06 0.00 -0.04 7.03 7.02 2e71A9 ASN 742 HD22 0.07 0.05 -0.01 -0.04 7.74 7.82 2e71A9 PRO 743 HA 0.25 0.10 0.39 -0.51 4.44 4.66 2e71A9 PRO 743 HB2 0.06 0.05 0.01 -0.04 2.28 2.35 2e71A9 PRO 743 HB3 0.07 0.08 0.09 -0.04 2.02 2.22 2e71A9 PRO 743 HG2 0.06 0.00 0.00 -0.04 2.03 2.06 2e71A9 PRO 743 HG3 0.03 0.11 0.01 -0.04 2.03 2.14 2e71A9 PRO 743 HD2 0.10 0.05 0.21 -0.04 3.68 4.00 2e71A9 PRO 743 HD3 0.09 0.28 0.18 -0.04 3.65 4.16 2e71A9 ARG 744 H 0.13 0.05 -0.45 -0.55 8.46 7.63 2e71A9 ARG 744 HA 0.09 0.17 0.55 -0.75 4.34 4.39 2e71A9 ARG 744 HB2 0.08 -0.03 -0.01 -0.04 1.90 1.90 2e71A9 ARG 744 HB3 0.06 -0.00 0.09 -0.04 1.80 1.91 2e71A9 ARG 744 HG2 0.06 -0.01 -0.09 -0.04 1.67 1.59 2e71A9 ARG 744 HG3 0.05 0.01 -0.01 -0.04 1.67 1.68 2e71A9 ARG 744 HD2 0.04 -0.02 0.01 -0.04 3.22 3.21 2e71A9 ARG 744 HD3 0.05 0.04 0.01 -0.04 3.22 3.28 2e71A9 ALA 745 H 0.17 0.26 -0.55 -0.55 8.40 7.73 2e71A9 ALA 745 HA 0.08 0.07 0.51 -0.75 4.34 4.24 2e71A9 ALA 745 HB3 0.08 0.01 0.02 -0.04 1.41 1.48 2e71A9 THR 746 H 0.03 0.10 0.15 -0.55 8.28 8.00 2e71A9 THR 746 HA 0.10 0.30 0.90 -0.75 4.39 4.94 2e71A9 THR 746 HB 0.04 0.18 0.04 -0.04 4.32 4.55 2e71A9 THR 746 HG23 -0.01 0.00 0.16 -0.04 1.22 1.34 2e71A9 PHE 747 H 0.09 0.30 0.11 -0.55 8.34 8.30 2e71A9 PHE 747 HA -0.83 0.10 0.26 -0.75 4.62 3.39 2e71A9 PHE 747 HB2 -0.24 0.09 0.09 -0.04 3.15 3.05 2e71A9 PHE 747 HB3 -0.08 -0.02 0.05 -0.04 3.06 2.97 2e71A9 PHE 747 HD2 -0.17 0.01 -0.04 -0.04 7.28 7.03 2e71A9 PHE 747 HE2 0.15 0.04 -0.09 -0.04 7.38 7.43 2e71A9 PHE 747 HZ 0.05 0.03 -0.07 -0.04 7.32 7.28 2e71A9 SER 748 H -0.06 -0.02 -0.79 -0.55 8.46 7.04 2e71A9 SER 748 HA -0.35 0.10 0.42 -0.75 4.49 3.90 2e71A9 SER 748 HB2 -0.06 -0.06 0.08 -0.04 3.95 3.87 2e71A9 SER 748 HB3 -0.10 0.06 -0.03 -0.04 3.93 3.82 2e71A9 GLU 749 H -0.08 0.12 0.07 -0.55 8.60 8.15 2e71A9 GLU 749 HA -0.10 0.04 0.39 -0.75 4.29 3.86 2e71A9 GLU 749 HB2 -0.03 -0.05 0.20 -0.04 2.09 2.17 2e71A9 GLU 749 HB3 -0.03 0.06 -0.01 -0.04 1.99 1.97 2e71A9 GLU 749 HG2 -0.04 -0.05 0.09 -0.04 2.34 2.30 2e71A9 GLU 749 HG3 -0.01 0.02 0.08 -0.04 2.34 2.38 2e71A9 PHE 750 H -0.06 0.40 -0.32 -0.55 8.34 7.81 2e71A9 PHE 750 HA -0.11 0.05 0.30 -0.75 4.62 4.10 2e71A9 PHE 750 HB2 -0.44 -0.01 -0.09 -0.04 3.15 2.58 2e71A9 PHE 750 HB3 -0.51 -0.01 -0.06 -0.04 3.06 2.44 2e71A9 PHE 750 HD2 -0.15 0.01 -0.08 -0.04 7.28 7.02 2e71A9 PHE 750 HE2 0.20 0.01 -0.08 -0.04 7.38 7.47 2e71A9 PHE 750 HZ -0.23 -0.01 -0.08 -0.04 7.32 6.96 2e71A9 ALA 751 H -0.27 0.52 -0.18 -0.55 8.40 7.94 2e71A9 ALA 751 HA -0.32 0.04 0.25 -0.75 4.34 3.57 2e71A9 ALA 751 HB3 -0.36 0.06 0.11 -0.04 1.41 1.18 2e71A9 ALA 752 H -0.29 0.54 -0.05 -0.55 8.40 8.05 2e71A9 ALA 752 HA -0.27 0.01 0.39 -0.75 4.34 3.72 2e71A9 ALA 752 HB3 -0.17 -0.00 0.08 -0.04 1.41 1.29 2e71A9 LYS 753 H -0.25 0.63 -0.05 -0.55 8.42 8.20 2e71A9 LYS 753 HA -0.24 -0.04 0.39 -0.75 4.32 3.68 2e71A9 LYS 753 HB2 -0.18 0.14 0.18 -0.04 1.87 1.97 2e71A9 LYS 753 HB3 -0.28 -0.05 0.01 -0.04 1.79 1.43 2e71A9 LYS 753 HG2 -0.13 -0.06 0.07 -0.04 1.46 1.30 2e71A9 LYS 753 HG3 -0.12 0.08 0.12 -0.04 1.46 1.50 2e71A9 LYS 753 HD2 -0.04 -0.08 -0.02 -0.04 1.69 1.51 2e71A9 LYS 753 HD3 -0.02 -0.03 -0.11 -0.04 1.68 1.49 2e71A9 LYS 753 HE2 -0.12 0.03 -0.00 -0.04 2.99 2.86 2e71A9 LYS 753 HE3 -0.06 -0.02 0.01 -0.04 2.99 2.87 2e71A9 HIS 754 H -0.52 0.61 -0.47 -0.55 8.41 7.48 2e71A9 HIS 754 HA -0.33 0.07 0.89 -0.75 4.63 4.51 2e71A9 HIS 754 HB2 -0.95 0.21 0.06 -0.04 3.26 2.55 2e71A9 HIS 754 HB3 -0.39 -0.11 0.19 -0.04 3.20 2.85 2e71A9 HIS 754 HD2 -0.10 -0.02 -0.06 -0.04 6.97 6.75 2e71A9 HIS 754 HE1 0.03 0.01 0.00 -0.04 7.75 7.75 2e71A9 ALA 755 H -0.54 0.55 -0.26 -0.55 8.40 7.60 2e71A9 ALA 755 HA -1.58 0.09 0.57 -0.75 4.34 2.66 2e71A9 ALA 755 HB3 -0.31 0.00 0.04 -0.04 1.41 1.10 2e71A9 LYS 756 H -0.25 0.22 -0.05 -0.55 8.42 7.79 2e71A9 LYS 756 HA -0.06 0.09 0.39 -0.75 4.32 3.98 2e71A9 LYS 756 HB2 -0.10 0.03 -0.00 -0.04 1.87 1.75 2e71A9 LYS 756 HB3 -0.06 -0.03 0.07 -0.04 1.79 1.73 2e71A9 LYS 756 HG2 -0.14 0.01 0.07 -0.04 1.46 1.36 2e71A9 LYS 756 HG3 -0.11 0.03 0.04 -0.04 1.46 1.38 2e71A9 LYS 756 HD2 -0.07 -0.01 0.00 -0.04 1.69 1.57 2e71A9 LYS 756 HD3 -0.05 -0.02 0.02 -0.04 1.68 1.58 2e71A9 LYS 756 HE2 -0.07 0.03 -0.15 -0.04 2.99 2.76 2e71A9 LYS 756 HE3 -0.08 0.00 -0.05 -0.04 2.99 2.82 2e71A9 ASP 757 H -0.12 0.11 -0.65 -0.55 8.40 7.19 2e71A9 ASP 757 HA 0.03 -0.00 0.39 -0.75 4.63 4.29 2e71A9 ASP 757 HB2 0.06 0.06 0.08 -0.04 2.71 2.86 2e71A9 ASP 757 HB3 0.15 0.10 0.13 -0.04 2.70 3.04 2e71A9 SER 758 H 0.05 0.19 0.27 -0.55 8.46 8.42 2e71A9 SER 758 HA 0.07 0.12 0.32 -0.75 4.49 4.24 2e71A9 SER 758 HB2 0.04 0.07 0.16 -0.04 3.95 4.17 2e71A9 SER 758 HB3 0.05 -0.09 0.17 -0.04 3.93 4.02 2e71A9 ARG 759 H 0.09 0.07 -0.19 -0.55 8.46 7.88 2e71A9 ARG 759 HA 0.09 0.01 0.33 -0.75 4.34 4.02 2e71A9 ARG 759 HB2 0.14 -0.01 0.03 -0.04 1.90 2.02 2e71A9 ARG 759 HB3 0.13 0.04 -0.06 -0.04 1.80 1.86 2e71A9 ARG 759 HG2 0.07 -0.01 0.05 -0.04 1.67 1.74 2e71A9 ARG 759 HG3 0.07 -0.06 0.06 -0.04 1.67 1.71 2e71A9 ARG 759 HD2 0.07 0.04 0.04 -0.04 3.22 3.33 2e71A9 ARG 759 HD3 0.07 0.02 0.07 -0.04 3.22 3.34 2e71A9 PHE 760 H 0.27 0.08 -0.25 -0.55 8.34 7.89 2e71A9 PHE 760 HA 0.26 -0.08 0.33 -0.75 4.62 4.37 2e71A9 PHE 760 HB2 0.09 -0.14 0.15 -0.04 3.15 3.21 2e71A9 PHE 760 HB3 0.04 0.18 0.18 -0.04 3.06 3.42 2e71A9 PHE 760 HD2 0.04 -0.00 -0.18 -0.04 7.28 7.09 2e71A9 PHE 760 HE2 -0.07 -0.09 -0.07 -0.04 7.38 7.10 2e71A9 PHE 760 HZ -0.10 -0.15 -0.07 -0.04 7.32 6.97 2e71A9 LYS 761 H 0.27 0.49 -0.29 -0.55 8.42 8.33 2e71A9 LYS 761 HA 0.14 0.04 0.40 -0.75 4.32 4.15 2e71A9 LYS 761 HB2 0.08 0.08 0.09 -0.04 1.87 2.08 2e71A9 LYS 761 HB3 0.08 -0.12 0.02 -0.04 1.79 1.73 2e71A9 LYS 761 HG2 0.25 0.19 -0.01 -0.04 1.46 1.84 2e71A9 LYS 761 HG3 0.13 -0.03 -0.34 -0.04 1.46 1.19 2e71A9 LYS 761 HD2 0.05 -0.10 -0.03 -0.04 1.69 1.57 2e71A9 LYS 761 HD3 0.07 -0.05 -0.02 -0.04 1.68 1.63 2e71A9 LYS 761 HE2 0.02 0.04 0.02 -0.04 2.99 3.03 2e71A9 LYS 761 HE3 0.04 -0.00 -0.13 -0.04 2.99 2.86 2e71A9 ALA 762 H 0.05 0.46 -0.23 -0.55 8.40 8.13 2e71A9 ALA 762 HA -0.00 -0.08 0.29 -0.75 4.34 3.79 2e71A9 ALA 762 HB3 0.01 -0.04 0.09 -0.04 1.41 1.43 2e71A9 ILE 763 H -0.16 0.44 -0.70 -0.55 8.25 7.28 2e71A9 ILE 763 HA -0.15 -0.10 0.65 -0.75 4.18 3.82 2e71A9 ILE 763 HB -0.53 0.19 0.04 -0.04 1.89 1.55 2e71A9 ILE 763 HG12 -0.19 0.12 -0.08 -0.04 1.49 1.29 2e71A9 ILE 763 HG13 -0.72 -0.03 -0.07 -0.04 1.21 0.35 2e71A9 ILE 763 HG23 -0.35 -0.09 -0.12 -0.04 0.93 0.33 2e71A9 ILE 763 HD13 -0.18 -0.03 -0.22 -0.04 0.88 0.40 2e71A9 GLU 764 H -0.12 -0.07 0.15 -0.55 8.60 8.02 2e71A9 GLU 764 HA -0.08 0.31 0.91 -0.75 4.29 4.69 2e71A9 GLU 764 HB2 -0.04 -0.17 0.13 -0.04 2.09 1.96 2e71A9 GLU 764 HB3 -0.03 -0.00 0.03 -0.04 1.99 1.94 2e71A9 GLU 764 HG2 -0.06 0.08 -0.40 -0.04 2.34 1.92 2e71A9 GLU 764 HG3 -0.03 -0.07 -0.03 -0.04 2.34 2.17 2e71A9 LYS 765 H -0.07 0.07 0.16 -0.55 8.42 8.03 2e71A9 LYS 765 HA -0.03 0.04 0.40 -0.75 4.32 3.98 2e71A9 LYS 765 HB2 -0.07 -0.02 0.15 -0.04 1.87 1.88 2e71A9 LYS 765 HB3 -0.04 -0.04 0.05 -0.04 1.79 1.71 2e71A9 LYS 765 HG2 -0.04 0.01 0.16 -0.04 1.46 1.55 2e71A9 LYS 765 HG3 -0.04 0.03 0.07 -0.04 1.46 1.48 2e71A9 LYS 765 HD2 -0.02 0.01 0.04 -0.04 1.69 1.67 2e71A9 LYS 765 HD3 -0.02 0.00 0.08 -0.04 1.68 1.70 2e71A9 LYS 765 HE2 -0.02 0.05 0.04 -0.04 2.99 3.02 2e71A9 LYS 765 HE3 -0.02 0.02 0.05 -0.04 2.99 2.99 2e71A9 MET 766 H -0.01 0.16 0.24 -0.55 8.47 8.31 2e71A9 MET 766 HA 0.03 0.18 0.44 -0.75 4.52 4.42 2e71A9 MET 766 HB2 0.02 0.09 0.19 -0.04 2.15 2.41 2e71A9 MET 766 HB3 0.01 -0.05 0.13 -0.04 2.03 2.07 2e71A9 MET 766 HG2 0.06 -0.08 -0.05 -0.04 2.63 2.52 2e71A9 MET 766 HG3 0.12 0.08 0.05 -0.04 2.56 2.76 2e71A9 MET 766 HE3 0.12 0.01 -0.02 -0.04 2.10 2.17 2e71A9 LYS 767 H -0.03 0.13 -0.07 -0.55 8.42 7.90 2e71A9 LYS 767 HA -0.05 0.07 0.32 -0.75 4.32 3.90 2e71A9 LYS 767 HB2 -0.03 -0.05 -0.02 -0.04 1.87 1.73 2e71A9 LYS 767 HB3 -0.03 0.01 -0.13 -0.04 1.79 1.60 2e71A9 LYS 767 HG2 -0.02 0.24 -0.08 -0.04 1.46 1.57 2e71A9 LYS 767 HG3 -0.02 -0.00 0.02 -0.04 1.46 1.42 2e71A9 LYS 767 HD2 -0.01 -0.11 0.07 -0.04 1.69 1.59 2e71A9 LYS 767 HD3 -0.02 -0.04 0.03 -0.04 1.68 1.61 2e71A9 LYS 767 HE2 -0.01 -0.01 0.03 -0.04 2.99 2.96 2e71A9 LYS 767 HE3 -0.01 0.15 0.02 -0.04 2.99 3.11 2e71A9 ASP 768 H -0.07 0.10 -0.68 -0.55 8.40 7.21 2e71A9 ASP 768 HA -0.06 0.03 0.41 -0.75 4.63 4.25 2e71A9 ASP 768 HB2 -0.12 0.25 0.09 -0.04 2.71 2.89 2e71A9 ASP 768 HB3 -0.17 0.03 -0.07 -0.04 2.70 2.46 2e71A9 ARG 769 H -0.12 0.47 -0.04 -0.55 8.46 8.22 2e71A9 ARG 769 HA -0.23 0.03 0.32 -0.75 4.34 3.71 2e71A9 ARG 769 HB2 0.11 0.03 0.14 -0.04 1.90 2.14 2e71A9 ARG 769 HB3 0.45 -0.00 -0.01 -0.04 1.80 2.19 2e71A9 ARG 769 HG2 -0.25 0.06 -0.08 -0.04 1.67 1.36 2e71A9 ARG 769 HG3 -0.16 0.00 -0.12 -0.04 1.67 1.35 2e71A9 ARG 769 HD2 -0.05 0.19 -0.24 -0.04 3.22 3.08 2e71A9 ARG 769 HD3 0.13 -0.13 -0.03 -0.04 3.22 3.15 2e71A9 GLU 770 H -0.24 0.55 -0.16 -0.55 8.60 8.21 2e71A9 GLU 770 HA -0.66 0.05 0.45 -0.75 4.29 3.37 2e71A9 GLU 770 HB2 -0.39 0.04 0.05 -0.04 2.09 1.74 2e71A9 GLU 770 HB3 -0.17 -0.00 0.04 -0.04 1.99 1.82 2e71A9 GLU 770 HG2 -0.12 0.02 -0.08 -0.04 2.34 2.11 2e71A9 GLU 770 HG3 -0.44 -0.03 0.02 -0.04 2.34 1.85 2e71A9 ALA 771 H -0.09 0.53 -0.02 -0.55 8.40 8.27 2e71A9 ALA 771 HA -0.01 -0.03 0.38 -0.75 4.34 3.93 2e71A9 ALA 771 HB3 -0.02 -0.03 0.16 -0.04 1.41 1.47 2e71A9 LEU 772 H 0.03 0.72 -0.18 -0.55 8.37 8.39 2e71A9 LEU 772 HA 0.13 -0.01 0.41 -0.75 4.35 4.13 2e71A9 LEU 772 HB2 0.33 0.12 0.13 -0.04 1.64 2.18 2e71A9 LEU 772 HB3 0.46 -0.05 -0.02 -0.04 1.64 1.99 2e71A9 LEU 772 HG 0.01 0.04 0.10 -0.04 1.64 1.76 2e71A9 LEU 772 HD13 -0.22 -0.03 -0.11 -0.04 0.93 0.52 2e71A9 LEU 772 HD23 0.13 -0.02 0.01 -0.04 0.89 0.96 2e71A9 PHE 773 H 0.31 0.52 -0.05 -0.55 8.34 8.56 2e71A9 PHE 773 HA 0.02 -0.03 0.35 -0.75 4.62 4.21 2e71A9 PHE 773 HB2 0.05 0.05 0.15 -0.04 3.15 3.36 2e71A9 PHE 773 HB3 -0.12 0.07 0.18 -0.04 3.06 3.16 2e71A9 PHE 773 HD2 -0.51 0.02 -0.07 -0.04 7.28 6.68 2e71A9 PHE 773 HE2 -0.88 0.02 -0.09 -0.04 7.38 6.39 2e71A9 PHE 773 HZ -0.22 0.09 -0.21 -0.04 7.32 6.95 2e71A9 ASN 774 H 0.09 0.65 -0.45 -0.55 8.53 8.27 2e71A9 ASN 774 HA -0.07 -0.00 0.42 -0.75 4.76 4.36 2e71A9 ASN 774 HB2 0.01 0.23 0.22 -0.04 2.88 3.29 2e71A9 ASN 774 HB3 -0.00 -0.03 0.00 -0.04 2.79 2.71 2e71A9 ASN 774 HD21 -0.01 -0.04 -0.14 -0.04 7.03 6.80 2e71A9 ASN 774 HD22 -0.01 -0.07 -0.09 -0.04 7.74 7.53 2e71A9 GLU 775 H 0.03 0.54 0.09 -0.55 8.60 8.71 2e71A9 GLU 775 HA -0.02 0.02 0.41 -0.75 4.29 3.94 2e71A9 GLU 775 HB2 0.02 -0.03 0.14 -0.04 2.09 2.18 2e71A9 GLU 775 HB3 0.06 0.08 0.16 -0.04 1.99 2.25 2e71A9 GLU 775 HG2 0.01 -0.04 -0.01 -0.04 2.34 2.26 2e71A9 GLU 775 HG3 0.00 0.02 -0.18 -0.04 2.34 2.14 2e71A9 PHE 776 H 0.12 0.56 -0.27 -0.55 8.34 8.20 2e71A9 PHE 776 HA -0.08 0.02 0.39 -0.75 4.62 4.19 2e71A9 PHE 776 HB2 -0.03 -0.01 0.02 -0.04 3.15 3.09 2e71A9 PHE 776 HB3 -0.15 0.08 0.14 -0.04 3.06 3.09 2e71A9 PHE 776 HD2 -0.07 0.01 -0.18 -0.04 7.28 7.00 2e71A9 PHE 776 HE2 -0.69 0.02 -0.17 -0.04 7.38 6.50 2e71A9 PHE 776 HZ -0.46 0.11 -0.20 -0.04 7.32 6.73 2e71A9 VAL 777 H -0.09 0.65 0.03 -0.55 8.24 8.27 2e71A9 VAL 777 HA -0.01 -0.00 0.41 -0.75 4.13 3.78 2e71A9 VAL 777 HB -0.08 -0.03 0.08 -0.04 2.12 2.05 2e71A9 VAL 777 HG13 -0.76 0.02 0.03 -0.04 0.97 0.22 2e71A9 VAL 777 HG23 -0.21 0.05 0.10 -0.04 0.95 0.85 2e71A9 ALA 778 H -0.09 0.66 -0.13 -0.55 8.40 8.30 2e71A9 ALA 778 HA -0.05 -0.02 0.37 -0.75 4.34 3.89 2e71A9 ALA 778 HB3 -0.04 -0.00 0.09 -0.04 1.41 1.41 2e71A9 ALA 779 H -0.13 0.40 -0.38 -0.55 8.40 7.75 2e71A9 ALA 779 HA -0.09 0.06 0.56 -0.75 4.34 4.11 2e71A9 ALA 779 HB3 -0.15 0.03 0.07 -0.04 1.41 1.32 2e71A9 ALA 780 H -0.28 0.62 0.07 -0.55 8.40 8.25 2e71A9 ALA 780 HA -0.25 -0.05 0.34 -0.75 4.34 3.62 2e71A9 ALA 780 HB3 -0.30 0.02 0.08 -0.04 1.41 1.17 2e71A9 ARG 781 H -0.09 0.50 -0.43 -0.55 8.46 7.89 2e71A9 ARG 781 HA -0.04 -0.03 0.56 -0.75 4.34 4.08 2e71A9 ARG 781 HB2 -0.02 -0.09 0.03 -0.04 1.90 1.78 2e71A9 ARG 781 HB3 -0.02 -0.07 0.07 -0.04 1.80 1.75 2e71A9 ARG 781 HG2 -0.05 0.26 0.06 -0.04 1.67 1.90 2e71A9 ARG 781 HG3 -0.03 -0.08 0.16 -0.04 1.67 1.68 2e71A9 ARG 781 HD2 -0.01 -0.10 -0.01 -0.04 3.22 3.07 2e71A9 ARG 781 HD3 -0.03 0.04 -0.15 -0.04 3.22 3.03 2e71A9 LYS 782 H -0.05 0.29 0.32 -0.55 8.42 8.44 2e71A9 LYS 782 HA -0.04 0.15 0.84 -0.75 4.32 4.52 2e71A9 LYS 782 HB2 -0.06 0.35 -0.18 -0.04 1.87 1.93 2e71A9 LYS 782 HB3 -0.05 -0.11 -0.01 -0.04 1.79 1.58 2e71A9 LYS 782 HG2 -0.04 -0.00 0.03 -0.04 1.46 1.40 2e71A9 LYS 782 HG3 -0.03 -0.36 0.15 -0.04 1.46 1.18 2e71A9 LYS 782 HD2 -0.03 -0.04 0.17 -0.04 1.69 1.75 2e71A9 LYS 782 HD3 -0.05 0.23 0.08 -0.04 1.68 1.90 2e71A9 LYS 782 HE2 -0.04 0.03 0.04 -0.04 2.99 2.97 2e71A9 LYS 782 HE3 -0.03 -0.10 0.06 -0.04 2.99 2.88 2e71A9 LYS 783 H -0.02 0.15 0.18 -0.55 8.42 8.16 2e71A9 LYS 783 HA -0.02 0.21 0.61 -0.75 4.32 4.37 2e71A9 LYS 783 HB2 -0.01 0.02 0.06 -0.04 1.87 1.89 2e71A9 LYS 783 HB3 -0.01 0.03 0.13 -0.04 1.79 1.90 2e71A9 LYS 783 HG2 -0.02 -0.05 0.20 -0.04 1.46 1.55 2e71A9 LYS 783 HG3 -0.02 0.04 0.01 -0.04 1.46 1.45 2e71A9 LYS 783 HD2 -0.01 0.00 0.02 -0.04 1.69 1.66 2e71A9 LYS 783 HD3 -0.01 0.03 0.06 -0.04 1.68 1.72 2e71A9 LYS 783 HE2 -0.02 0.03 0.07 -0.04 2.99 3.03 2e71A9 LYS 783 HE3 -0.02 -0.02 0.04 -0.04 2.99 2.96 2e71A9 GLU 784 H -0.02 0.05 0.03 -0.55 8.60 8.11 2e71A9 GLU 784 HA -0.02 0.03 0.24 -0.75 4.29 3.79 2e71A9 GLU 784 HB2 -0.02 -0.01 0.09 -0.04 2.09 2.11 2e71A9 GLU 784 HB3 -0.03 -0.03 0.04 -0.04 1.99 1.93 2e71A9 GLU 784 HG2 -0.02 -0.01 -0.04 -0.04 2.34 2.22 2e71A9 GLU 784 HG3 -0.03 0.06 -0.31 -0.04 2.34 2.03 2e71A9 LYS 785 H -0.03 0.00 -0.53 -0.55 8.42 7.31 2e71A9 LYS 785 HA -0.03 -0.02 0.32 -0.75 4.32 3.84 2e71A9 LYS 785 HB2 -0.04 -0.02 0.08 -0.04 1.87 1.85 2e71A9 LYS 785 HB3 -0.03 0.14 0.09 -0.04 1.79 1.95 2e71A9 LYS 785 HG2 -0.03 0.01 -0.01 -0.04 1.46 1.39 2e71A9 LYS 785 HG3 -0.02 0.00 -0.28 -0.04 1.46 1.12 2e71A9 LYS 785 HD2 -0.05 0.00 0.04 -0.04 1.69 1.64 2e71A9 LYS 785 HD3 -0.04 -0.00 0.01 -0.04 1.68 1.61 2e71A9 LYS 785 HE2 -0.03 0.02 0.11 -0.04 2.99 3.06 2e71A9 LYS 785 HE3 -0.03 -0.03 0.03 -0.04 2.99 2.92 2e71A9 GLU 786 H -0.02 0.27 -0.10 -0.55 8.60 8.20 2e71A9 GLU 786 HA -0.01 0.11 0.92 -0.75 4.29 4.56 2e71A9 GLU 786 HB2 -0.01 -0.01 -0.04 -0.04 2.09 2.00 2e71A9 GLU 786 HB3 -0.01 -0.01 -0.12 -0.04 1.99 1.82 2e71A9 GLU 786 HG2 -0.01 0.07 0.09 -0.04 2.34 2.45 2e71A9 GLU 786 HG3 -0.01 -0.07 -0.18 -0.04 2.34 2.04 2e71A9 SER 787 H -0.01 0.14 0.09 -0.55 8.46 8.14 2e71A9 SER 787 HA -0.01 0.07 0.62 -0.75 4.49 4.42 2e71A9 SER 787 HB2 -0.01 0.05 0.06 -0.04 3.95 4.02 2e71A9 SER 787 HB3 -0.01 -0.02 0.18 -0.04 3.93 4.05 2e71A9 GLY 788 H -0.01 0.19 0.17 -0.55 8.43 8.23 2e71A9 GLY 788 HA2 -0.00 0.02 0.30 -0.51 4.01 3.82 2e71A9 GLY 788 HA3 -0.00 0.18 0.91 -0.51 4.01 4.59 2e71A9 PRO 789 HA -0.00 0.10 0.43 -0.51 4.44 4.46 2e71A9 PRO 789 HB2 -0.00 0.06 0.08 -0.04 2.28 2.38 2e71A9 PRO 789 HB3 -0.00 0.07 0.09 -0.04 2.02 2.13 2e71A9 PRO 789 HG2 -0.00 0.14 0.14 -0.04 2.03 2.27 2e71A9 PRO 789 HG3 -0.01 0.04 0.11 -0.04 2.03 2.13 2e71A9 PRO 789 HD2 -0.00 0.09 0.19 -0.04 3.68 3.92 2e71A9 PRO 789 HD3 -0.01 0.08 0.25 -0.04 3.65 3.93 2e71A9 SER 790 H 0.00 0.28 0.26 -0.55 8.46 8.47 2e71A9 SER 790 HA 0.01 0.05 0.31 -0.75 4.49 4.09 2e71A9 SER 790 HB2 0.01 0.12 -0.34 -0.04 3.95 3.69 2e71A9 SER 790 HB3 0.01 -0.00 0.18 -0.04 3.93 4.08 2e71A9 SER 791 H 0.00 0.25 -0.39 -0.55 8.46 7.78 2e71A9 SER 791 HA 0.00 -0.00 0.14 -0.75 4.49 3.87 2e71A9 SER 791 HB2 0.00 -0.01 0.14 -0.04 3.95 4.05 2e71A9 SER 791 HB3 0.00 -0.01 -0.01 -0.04 3.93 3.87 2e71A9 GLY 792 H 0.00 0.22 -0.76 -0.55 8.43 7.35 2e71A9 GLY 792 HA2 0.00 -0.04 0.08 -0.51 4.01 3.54 2e71A9 GLY 792 HA3 0.00 0.18 0.51 -0.51 4.01 4.19