============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 3 0.840 11.024 -8.452 -27.694 -99.200 -91.000 TRP 10 1.040 0.990 -13.468 -36.932 -99.200 -91.000 TRP6 10 1.020 0.412 -11.206 -36.548 -99.200 -91.000 PHE 25 1.000 -0.639 -8.671 -32.076 -99.200 -91.000 HIS 27 0.900 1.551 0.425 -25.399 -99.200 -91.000 HIS 31 0.900 -2.481 6.149 -29.476 -99.200 -91.000 TYR 33 0.840 -0.705 2.030 -34.001 -99.200 -91.000 PHE 38 1.000 -3.611 -8.040 -44.913 -99.200 -91.000 HIS 45 0.900 -9.634 -8.146 -58.555 -99.200 -91.000 PHE 49 1.000 -7.923 -8.032 -48.764 -99.200 -91.000 PHE 53 1.000 -8.465 -8.569 -34.129 -99.200 -91.000 PHE 58 1.000 -5.397 -9.974 -21.167 -99.200 -91.000 HIS 69 0.900 -8.665 2.278 -47.636 -99.200 -91.000 PHE 110 1.000 -8.784 -17.107 -47.436 -99.200 -91.000 TYR 111 0.840 -12.436 -18.980 -40.296 -99.200 -91.000 PHE 112 1.000 -4.304 -14.229 -38.847 -99.200 -91.000 PHE 122 1.000 3.305 -5.989 -19.314 -99.200 -91.000 PHE 133 1.000 5.333 -2.630 -4.725 -99.200 -91.000 TRP 137 1.040 4.308 -7.797 -1.222 -99.200 -91.000 TRP6 137 1.020 5.144 -8.498 -3.324 -99.200 -91.000 PHE 148 1.000 6.371 -17.303 -12.120 -99.200 -91.000 HIS 154 0.900 25.438 -14.739 -17.290 -99.200 -91.000 TYR 170 0.840 6.145 2.720 -15.538 -99.200 -91.000 TYR 184 0.840 11.043 -4.408 -2.911 -99.200 -91.000 TRP 194 1.040 -3.052 -1.601 -10.276 -99.200 -91.000 TRP6 194 1.020 -1.183 -0.316 -10.926 -99.200 -91.000 TYR 208 0.840 19.340 -11.643 -12.608 -99.200 -91.000 TYR 222 0.840 -0.519 -16.897 -19.918 -99.200 -91.000 TYR 224 0.840 9.420 -17.215 -16.119 -99.200 -91.000 TYR 227 0.840 9.438 -8.926 -14.808 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h1zA1 GLY 705 HA2 -0.01 -0.10 0.26 -0.51 4.01 3.65 3h1zA1 GLY 705 HA3 -0.00 -0.06 0.19 -0.51 4.01 3.63 3h1zA1 GLY 706 H 0.00 0.01 0.14 -0.55 8.43 8.03 3h1zA1 GLY 706 HA2 0.03 0.12 0.34 -0.51 4.01 4.00 3h1zA1 GLY 706 HA3 0.04 -0.02 0.35 -0.51 4.01 3.87 3h1zA1 TYR 707 H 0.14 0.07 0.09 -0.55 8.29 8.04 3h1zA1 TYR 707 HA -0.01 0.11 0.52 -0.75 4.56 4.43 3h1zA1 TYR 707 HB2 -0.02 0.06 0.07 -0.04 3.06 3.13 3h1zA1 TYR 707 HB3 -0.03 -0.08 0.06 -0.04 2.98 2.89 3h1zA1 TYR 707 HD2 -0.02 -0.04 -0.10 -0.04 7.15 6.95 3h1zA1 TYR 707 HE2 -0.00 -0.05 -0.09 -0.04 6.85 6.66 3h1zA1 VAL 708 H -0.56 0.23 0.14 -0.55 8.24 7.50 3h1zA1 VAL 708 HA -0.24 0.17 0.89 -0.75 4.13 4.19 3h1zA1 VAL 708 HB -0.18 -0.04 0.07 -0.04 2.12 1.94 3h1zA1 VAL 708 HG13 -0.08 0.10 -0.09 -0.04 0.97 0.86 3h1zA1 VAL 708 HG23 -0.05 0.03 -0.14 -0.04 0.95 0.75 3h1zA1 ALA 709 H -0.18 0.09 0.12 -0.55 8.40 7.89 3h1zA1 ALA 709 HA -0.20 0.09 0.48 -0.75 4.34 3.96 3h1zA1 ALA 709 HB3 0.09 -0.01 0.11 -0.04 1.41 1.55 3h1zA1 PRO 710 HA -0.07 0.00 0.53 -0.51 4.44 4.39 3h1zA1 PRO 710 HB2 -0.01 0.04 0.03 -0.04 2.28 2.29 3h1zA1 PRO 710 HB3 -0.03 0.01 0.11 -0.04 2.02 2.07 3h1zA1 PRO 710 HG2 0.04 0.01 0.09 -0.04 2.03 2.13 3h1zA1 PRO 710 HG3 0.02 0.05 0.11 -0.04 2.03 2.17 3h1zA1 PRO 710 HD2 0.07 0.04 0.21 -0.04 3.68 3.96 3h1zA1 PRO 710 HD3 0.07 0.15 0.22 -0.04 3.65 4.05 3h1zA1 LYS 711 H -0.11 0.04 0.12 -0.55 8.42 7.92 3h1zA1 LYS 711 HA -0.26 0.23 0.43 -0.75 4.32 3.96 3h1zA1 LYS 711 HB2 -0.16 -0.04 0.03 -0.04 1.87 1.66 3h1zA1 LYS 711 HB3 -0.27 -0.05 -0.12 -0.04 1.79 1.31 3h1zA1 LYS 711 HG2 -0.17 0.05 -0.05 -0.04 1.46 1.25 3h1zA1 LYS 711 HG3 -0.15 -0.02 -0.06 -0.04 1.46 1.19 3h1zA1 LYS 711 HD2 -0.28 -0.05 -0.23 -0.04 1.69 1.09 3h1zA1 LYS 711 HD3 -0.36 -0.09 -0.36 -0.04 1.68 0.83 3h1zA1 LYS 711 HE2 -0.19 0.14 -0.20 -0.04 2.99 2.70 3h1zA1 LYS 711 HE3 -0.14 0.01 -0.14 -0.04 2.99 2.68 3h1zA1 ALA 712 H -0.56 0.46 0.39 -0.55 8.40 8.14 3h1zA1 ALA 712 HA -0.14 0.16 0.85 -0.75 4.34 4.45 3h1zA1 ALA 712 HB3 -0.03 0.03 -0.02 -0.04 1.41 1.35 3h1zA1 VAL 713 H -0.12 0.17 0.11 -0.55 8.24 7.85 3h1zA1 VAL 713 HA -0.28 0.07 0.83 -0.75 4.13 3.99 3h1zA1 VAL 713 HB -0.08 0.01 0.14 -0.04 2.12 2.15 3h1zA1 VAL 713 HG13 -0.11 -0.01 -0.29 -0.04 0.97 0.52 3h1zA1 VAL 713 HG23 -0.13 0.00 -0.04 -0.04 0.95 0.74 3h1zA1 TRP 714 H -0.29 0.30 0.36 -0.55 7.97 7.79 3h1zA1 TRP 714 HA -0.17 0.10 0.54 -0.75 4.62 4.34 3h1zA1 TRP 714 HB2 -0.71 0.01 -0.02 -0.04 3.23 2.48 3h1zA1 TRP 714 HB3 -1.06 -0.03 -0.10 -0.04 3.23 2.00 3h1zA1 TRP 714 HD1 -0.05 0.03 -0.17 -0.04 7.22 6.99 3h1zA1 TRP 714 HE1 0.04 -0.00 -0.02 -0.04 10.20 10.18 3h1zA1 TRP 714 HE3 -0.22 0.00 -0.24 -0.04 7.59 7.09 3h1zA1 TRP 714 HZ2 0.02 0.00 -0.19 -0.04 7.44 7.23 3h1zA1 TRP 714 HZ3 -0.19 0.01 -0.22 -0.04 7.13 6.69 3h1zA1 TRP 714 HH2 -0.93 0.00 -0.32 -0.04 7.19 5.91 3h1zA1 LEU 715 H -0.23 0.47 0.04 -0.55 8.37 8.09 3h1zA1 LEU 715 HA -0.04 0.23 0.81 -0.75 4.35 4.58 3h1zA1 LEU 715 HB2 -0.25 0.02 -0.19 -0.04 1.64 1.18 3h1zA1 LEU 715 HB3 -0.27 -0.14 0.08 -0.04 1.64 1.27 3h1zA1 LEU 715 HG -0.12 0.12 -0.24 -0.04 1.64 1.37 3h1zA1 LEU 715 HD13 0.16 0.01 -0.11 -0.04 0.93 0.95 3h1zA1 LEU 715 HD23 -0.01 -0.03 -0.18 -0.04 0.89 0.63 3h1zA1 PRO 716 HA -0.09 0.07 0.62 -0.51 4.44 4.53 3h1zA1 PRO 716 HB2 -0.03 -0.11 0.00 -0.04 2.28 2.10 3h1zA1 PRO 716 HB3 -0.04 0.09 0.06 -0.04 2.02 2.09 3h1zA1 PRO 716 HG2 -0.01 -0.09 0.06 -0.04 2.03 1.95 3h1zA1 PRO 716 HG3 0.00 0.11 0.04 -0.04 2.03 2.14 3h1zA1 PRO 716 HD2 0.01 0.13 0.18 -0.04 3.68 3.96 3h1zA1 PRO 716 HD3 -0.00 0.28 -0.08 -0.04 3.65 3.80 3h1zA1 ALA 717 H -0.07 0.14 0.07 -0.55 8.40 7.99 3h1zA1 ALA 717 HA -0.10 0.32 -0.04 -0.75 4.34 3.76 3h1zA1 ALA 717 HB3 -0.05 0.01 -0.06 -0.04 1.41 1.27 3h1zA1 VAL 718 H -0.03 0.09 -0.24 -0.55 8.24 7.51 3h1zA1 VAL 718 HA -0.02 0.05 0.33 -0.75 4.13 3.74 3h1zA1 VAL 718 HB -0.01 -0.01 0.06 -0.04 2.12 2.11 3h1zA1 VAL 718 HG13 -0.01 0.00 -0.08 -0.04 0.97 0.84 3h1zA1 VAL 718 HG23 0.00 0.02 0.00 -0.04 0.95 0.93 3h1zA1 LYS 719 H -0.03 0.33 -0.36 -0.55 8.42 7.81 3h1zA1 LYS 719 HA 0.03 0.15 0.80 -0.75 4.32 4.55 3h1zA1 LYS 719 HB2 0.01 0.10 0.09 -0.04 1.87 2.04 3h1zA1 LYS 719 HB3 0.07 0.01 0.13 -0.04 1.79 1.97 3h1zA1 LYS 719 HG2 0.05 0.02 0.03 -0.04 1.46 1.52 3h1zA1 LYS 719 HG3 0.02 -0.12 -0.08 -0.04 1.46 1.24 3h1zA1 LYS 719 HD2 0.04 -0.00 0.06 -0.04 1.69 1.74 3h1zA1 LYS 719 HD3 0.07 0.05 0.08 -0.04 1.68 1.84 3h1zA1 LYS 719 HE2 0.05 -0.00 0.02 -0.04 2.99 3.02 3h1zA1 LYS 719 HE3 0.03 -0.04 0.01 -0.04 2.99 2.96 3h1zA1 ALA 720 H -0.12 0.40 -0.24 -0.55 8.40 7.89 3h1zA1 ALA 720 HA -0.35 0.23 0.89 -0.75 4.34 4.35 3h1zA1 ALA 720 HB3 -0.84 0.07 -0.03 -0.04 1.41 0.57 3h1zA1 LYS 721 H -0.03 0.23 -0.14 -0.55 8.42 7.93 3h1zA1 LYS 721 HA 0.00 0.04 0.29 -0.75 4.32 3.90 3h1zA1 LYS 721 HB2 0.12 0.09 -0.18 -0.04 1.87 1.86 3h1zA1 LYS 721 HB3 0.06 -0.03 0.17 -0.04 1.79 1.95 3h1zA1 LYS 721 HG2 0.08 0.01 0.01 -0.04 1.46 1.52 3h1zA1 LYS 721 HG3 0.17 0.01 -0.13 -0.04 1.46 1.47 3h1zA1 LYS 721 HD2 0.30 -0.00 -0.14 -0.04 1.69 1.80 3h1zA1 LYS 721 HD3 0.12 -0.01 -0.04 -0.04 1.68 1.71 3h1zA1 LYS 721 HE2 0.08 -0.02 -0.02 -0.04 2.99 3.00 3h1zA1 LYS 721 HE3 0.14 0.02 -0.04 -0.04 2.99 3.08 3h1zA1 GLY 722 H -0.08 0.47 -0.22 -0.55 8.43 8.06 3h1zA1 GLY 722 HA2 -0.04 -0.03 0.16 -0.51 4.01 3.59 3h1zA1 GLY 722 HA3 -0.02 0.08 0.54 -0.51 4.01 4.09 3h1zA1 LEU 723 H -0.19 0.58 -0.34 -0.55 8.37 7.87 3h1zA1 LEU 723 HA -0.02 0.18 0.75 -0.75 4.35 4.51 3h1zA1 LEU 723 HB2 -0.03 -0.02 0.02 -0.04 1.64 1.56 3h1zA1 LEU 723 HB3 -0.38 0.07 0.08 -0.04 1.64 1.37 3h1zA1 LEU 723 HG -0.10 -0.02 -0.37 -0.04 1.64 1.10 3h1zA1 LEU 723 HD13 0.26 0.01 -0.09 -0.04 0.93 1.06 3h1zA1 LEU 723 HD23 0.21 -0.01 -0.15 -0.04 0.89 0.89 3h1zA1 GLU 724 H -0.07 0.61 0.37 -0.55 8.60 8.97 3h1zA1 GLU 724 HA -0.16 0.42 0.92 -0.75 4.29 4.72 3h1zA1 GLU 724 HB2 -0.09 -0.14 -0.07 -0.04 2.09 1.75 3h1zA1 GLU 724 HB3 -0.09 -0.01 0.13 -0.04 1.99 1.98 3h1zA1 GLU 724 HG2 -0.14 -0.01 -0.26 -0.04 2.34 1.89 3h1zA1 GLU 724 HG3 -0.14 0.19 0.06 -0.04 2.34 2.41 3h1zA1 ILE 725 H -0.26 0.59 0.28 -0.55 8.25 8.32 3h1zA1 ILE 725 HA -0.47 0.39 1.10 -0.75 4.18 4.45 3h1zA1 ILE 725 HB -0.45 -0.09 0.07 -0.04 1.89 1.38 3h1zA1 ILE 725 HG12 -1.41 0.04 -0.17 -0.04 1.49 -0.10 3h1zA1 ILE 725 HG13 -0.41 -0.06 -0.35 -0.04 1.21 0.36 3h1zA1 ILE 725 HG23 -0.38 -0.00 -0.21 -0.04 0.93 0.29 3h1zA1 ILE 725 HD13 -0.11 0.00 -0.16 -0.04 0.88 0.57 3h1zA1 SER 726 H -0.31 0.59 0.41 -0.55 8.46 8.60 3h1zA1 SER 726 HA -0.55 0.09 1.13 -0.75 4.49 4.41 3h1zA1 SER 726 HB2 -0.36 0.04 -0.13 -0.04 3.95 3.46 3h1zA1 SER 726 HB3 -0.26 -0.05 -0.10 -0.04 3.93 3.48 3h1zA1 GLY 727 H -1.24 0.53 0.42 -0.55 8.43 7.60 3h1zA1 GLY 727 HA2 -0.62 0.25 0.92 -0.51 4.01 4.04 3h1zA1 GLY 727 HA3 -1.61 -0.00 0.28 -0.51 4.01 2.16 3h1zA1 THR 728 H -0.35 0.64 0.40 -0.55 8.28 8.42 3h1zA1 THR 728 HA 0.07 0.11 0.32 -0.75 4.39 4.13 3h1zA1 THR 728 HB -0.16 -0.00 -0.06 -0.04 4.32 4.06 3h1zA1 THR 728 HG23 -0.08 -0.00 -0.17 -0.04 1.22 0.92 3h1zA1 PHE 729 H 0.36 0.17 0.21 -0.55 8.34 8.53 3h1zA1 PHE 729 HA 0.18 0.29 1.16 -0.75 4.62 5.50 3h1zA1 PHE 729 HB2 0.08 -0.06 0.20 -0.04 3.15 3.33 3h1zA1 PHE 729 HB3 0.07 0.08 0.08 -0.04 3.06 3.25 3h1zA1 PHE 729 HD2 0.17 0.04 -0.02 -0.04 7.28 7.43 3h1zA1 PHE 729 HE2 -0.15 0.01 -0.18 -0.04 7.38 7.02 3h1zA1 PHE 729 HZ -0.38 -0.01 -0.21 -0.04 7.32 6.69 3h1zA1 THR 730 H 0.26 0.55 0.38 -0.55 8.28 8.92 3h1zA1 THR 730 HA 0.13 0.23 0.79 -0.75 4.39 4.78 3h1zA1 THR 730 HB 0.10 0.02 0.03 -0.04 4.32 4.43 3h1zA1 THR 730 HG23 0.03 0.01 -0.24 -0.04 1.22 0.98 3h1zA1 HIS 731 H 0.18 0.31 0.08 -0.55 8.41 8.43 3h1zA1 HIS 731 HA 0.12 0.29 0.77 -0.75 4.63 5.06 3h1zA1 HIS 731 HB2 0.03 0.03 -0.02 -0.04 3.26 3.26 3h1zA1 HIS 731 HB3 0.03 -0.02 0.13 -0.04 3.20 3.30 3h1zA1 HIS 731 HD2 0.02 0.10 -0.03 -0.04 6.97 7.01 3h1zA1 HIS 731 HE1 -0.00 -0.06 -0.41 -0.04 7.75 7.23 3h1zA1 ARG 732 H 0.35 0.80 0.18 -0.55 8.46 9.24 3h1zA1 ARG 732 HA 0.04 0.20 1.01 -0.75 4.34 4.84 3h1zA1 ARG 732 HB2 0.35 0.00 0.12 -0.04 1.90 2.33 3h1zA1 ARG 732 HB3 0.10 0.03 0.03 -0.04 1.80 1.92 3h1zA1 ARG 732 HG2 0.04 0.08 -0.10 -0.04 1.67 1.65 3h1zA1 ARG 732 HG3 0.17 -0.10 -0.27 -0.04 1.67 1.43 3h1zA1 ARG 732 HD2 -0.07 0.02 -0.05 -0.04 3.22 3.08 3h1zA1 ARG 732 HD3 -0.10 -0.00 -0.09 -0.04 3.22 2.99 3h1zA1 GLN 733 H -0.14 0.25 0.01 -0.55 8.47 8.04 3h1zA1 GLN 733 HA -0.02 0.04 0.33 -0.75 4.36 3.95 3h1zA1 GLN 733 HB2 0.07 0.01 0.12 -0.04 2.15 2.30 3h1zA1 GLN 733 HB3 0.03 0.03 -0.02 -0.04 2.02 2.02 3h1zA1 GLN 733 HG2 0.12 -0.14 -0.77 -0.04 2.40 1.57 3h1zA1 GLN 733 HG3 0.21 0.08 -0.05 -0.04 2.39 2.59 3h1zA1 GLN 733 HE21 0.02 -0.02 -0.02 -0.04 6.97 6.91 3h1zA1 GLN 733 HE22 0.05 0.03 -0.05 -0.04 7.69 7.68 3h1zA1 GLY 734 H -0.04 0.05 -0.13 -0.55 8.43 7.76 3h1zA1 GLY 734 HA2 -0.07 -0.06 0.40 -0.51 4.01 3.77 3h1zA1 GLY 734 HA3 -0.26 0.23 0.78 -0.51 4.01 4.26 3h1zA1 HIS 735 H 0.26 0.11 -0.35 -0.55 8.41 7.88 3h1zA1 HIS 735 HA 0.01 0.16 0.17 -0.75 4.63 4.22 3h1zA1 HIS 735 HB2 0.22 0.10 0.02 -0.04 3.26 3.56 3h1zA1 HIS 735 HB3 -0.24 0.03 -0.09 -0.04 3.20 2.85 3h1zA1 HIS 735 HD2 -0.03 0.02 -0.05 -0.04 6.97 6.86 3h1zA1 HIS 735 HE1 0.05 0.00 0.04 -0.04 7.75 7.80 3h1zA1 ILE 736 H -0.06 0.26 0.24 -0.55 8.25 8.14 3h1zA1 ILE 736 HA 0.12 0.29 1.07 -0.75 4.18 4.90 3h1zA1 ILE 736 HB -0.02 0.02 0.10 -0.04 1.89 1.94 3h1zA1 ILE 736 HG12 -0.20 0.18 0.01 -0.04 1.49 1.45 3h1zA1 ILE 736 HG13 -0.11 -0.09 -0.01 -0.04 1.21 0.96 3h1zA1 ILE 736 HG23 0.10 0.00 -0.11 -0.04 0.93 0.88 3h1zA1 ILE 736 HD13 -0.14 -0.03 -0.09 -0.04 0.88 0.58 3h1zA1 TYR 737 H 0.28 0.55 0.28 -0.55 8.29 8.85 3h1zA1 TYR 737 HA 0.13 0.25 0.87 -0.75 4.56 5.05 3h1zA1 TYR 737 HB2 0.08 -0.07 -0.06 -0.04 3.06 2.97 3h1zA1 TYR 737 HB3 0.06 -0.00 -0.21 -0.04 2.98 2.79 3h1zA1 TYR 737 HD2 0.08 -0.02 -0.36 -0.04 7.15 6.81 3h1zA1 TYR 737 HE2 0.05 0.04 -0.11 -0.04 6.85 6.79 3h1zA1 MET 738 H 0.22 0.77 0.23 -0.55 8.47 9.15 3h1zA1 MET 738 HA -0.15 0.16 0.84 -0.75 4.52 4.62 3h1zA1 MET 738 HB2 0.20 0.00 0.02 -0.04 2.15 2.33 3h1zA1 MET 738 HB3 0.20 -0.04 0.18 -0.04 2.03 2.32 3h1zA1 MET 738 HG2 0.28 -0.01 -0.19 -0.04 2.63 2.67 3h1zA1 MET 738 HG3 -0.47 0.01 -0.08 -0.04 2.56 1.97 3h1zA1 MET 738 HE3 0.03 -0.01 -0.19 -0.04 2.10 1.89 3h1zA1 GLU 739 H -0.03 0.87 0.31 -0.55 8.60 9.20 3h1zA1 GLU 739 HA 0.02 0.08 0.80 -0.75 4.29 4.44 3h1zA1 GLU 739 HB2 -0.06 0.01 0.12 -0.04 2.09 2.12 3h1zA1 GLU 739 HB3 -0.07 0.00 -0.05 -0.04 1.99 1.84 3h1zA1 GLU 739 HG2 0.06 -0.04 -0.19 -0.04 2.34 2.12 3h1zA1 GLU 739 HG3 -0.03 0.02 -0.11 -0.04 2.34 2.18 3h1zA1 MET 740 H 0.01 0.75 0.45 -0.55 8.47 9.14 3h1zA1 MET 740 HA -0.18 0.28 1.24 -0.75 4.52 5.11 3h1zA1 MET 740 HB2 0.24 0.03 0.03 -0.04 2.15 2.41 3h1zA1 MET 740 HB3 0.14 -0.02 -0.03 -0.04 2.03 2.08 3h1zA1 MET 740 HG2 -0.00 0.04 -0.20 -0.04 2.63 2.42 3h1zA1 MET 740 HG3 0.15 -0.08 -0.60 -0.04 2.56 1.99 3h1zA1 MET 740 HE3 0.34 0.02 -0.13 -0.04 2.10 2.28 3h1zA1 ASN 741 H -0.16 0.58 0.39 -0.55 8.53 8.80 3h1zA1 ASN 741 HA 0.04 0.23 0.90 -0.75 4.76 5.18 3h1zA1 ASN 741 HB2 -0.08 0.01 -0.01 -0.04 2.88 2.77 3h1zA1 ASN 741 HB3 -0.12 -0.06 0.11 -0.04 2.79 2.67 3h1zA1 ASN 741 HD21 -0.03 -0.04 -0.22 -0.04 7.03 6.70 3h1zA1 ASN 741 HD22 -0.04 -0.02 -0.19 -0.04 7.74 7.45 3h1zA1 PHE 742 H 0.22 0.65 0.30 -0.55 8.34 8.96 3h1zA1 PHE 742 HA -0.07 0.28 1.03 -0.75 4.62 5.11 3h1zA1 PHE 742 HB2 -0.15 -0.01 0.15 -0.04 3.15 3.10 3h1zA1 PHE 742 HB3 -0.11 0.01 -0.09 -0.04 3.06 2.83 3h1zA1 PHE 742 HD2 -0.11 -0.04 -0.22 -0.04 7.28 6.86 3h1zA1 PHE 742 HE2 0.08 0.01 -0.15 -0.04 7.38 7.29 3h1zA1 PHE 742 HZ 0.11 0.01 -0.13 -0.04 7.32 7.27 3h1zA1 THR 743 H -0.04 0.71 0.38 -0.55 8.28 8.78 3h1zA1 THR 743 HA 0.03 0.30 1.05 -0.75 4.39 5.01 3h1zA1 THR 743 HB -0.04 -0.06 0.07 -0.04 4.32 4.25 3h1zA1 THR 743 HG23 -0.01 0.01 -0.29 -0.04 1.22 0.89 3h1zA1 ASN 744 H 0.04 0.73 0.20 -0.55 8.53 8.95 3h1zA1 ASN 744 HA 0.06 0.11 0.82 -0.75 4.76 4.99 3h1zA1 ASN 744 HB2 0.12 -0.04 -0.09 -0.04 2.88 2.84 3h1zA1 ASN 744 HB3 0.07 0.13 0.05 -0.04 2.79 3.00 3h1zA1 ASN 744 HD21 0.10 0.37 -0.04 -0.04 7.03 7.41 3h1zA1 ASN 744 HD22 0.13 0.41 -0.20 -0.04 7.74 8.05 3h1zA1 LYS 745 H -0.00 0.78 0.21 -0.55 8.42 8.86 3h1zA1 LYS 745 HA 0.00 0.13 0.81 -0.75 4.32 4.51 3h1zA1 LYS 745 HB2 -0.02 0.01 0.11 -0.04 1.87 1.93 3h1zA1 LYS 745 HB3 -0.01 -0.03 0.14 -0.04 1.79 1.84 3h1zA1 LYS 745 HG2 -0.02 0.03 -0.12 -0.04 1.46 1.31 3h1zA1 LYS 745 HG3 -0.03 0.06 -0.13 -0.04 1.46 1.32 3h1zA1 LYS 745 HD2 -0.03 -0.09 -0.03 -0.04 1.69 1.49 3h1zA1 LYS 745 HD3 -0.02 0.01 -0.01 -0.04 1.68 1.62 3h1zA1 LYS 745 HE2 -0.03 0.04 -0.07 -0.04 2.99 2.89 3h1zA1 LYS 745 HE3 -0.05 -0.02 -0.05 -0.04 2.99 2.82 3h1zA1 ALA 746 H 0.02 0.01 -0.15 -0.55 8.40 7.73 3h1zA1 ALA 746 HA 0.00 0.11 0.60 -0.75 4.34 4.30 3h1zA1 ALA 746 HB3 0.02 0.06 0.15 -0.04 1.41 1.60 3h1zA1 LEU 747 H 0.00 0.11 0.16 -0.55 8.37 8.10 3h1zA1 LEU 747 HA 0.01 0.20 0.62 -0.75 4.35 4.42 3h1zA1 LEU 747 HB2 -0.00 -0.02 0.08 -0.04 1.64 1.66 3h1zA1 LEU 747 HB3 -0.00 0.01 0.12 -0.04 1.64 1.73 3h1zA1 LEU 747 HG 0.00 -0.02 -0.08 -0.04 1.64 1.50 3h1zA1 LEU 747 HD13 0.00 -0.00 0.00 -0.04 0.93 0.89 3h1zA1 LEU 747 HD23 0.00 0.03 -0.06 -0.04 0.89 0.82 3h1zA1 GLN 748 H 0.00 0.13 -0.02 -0.55 8.47 8.04 3h1zA1 GLN 748 HA -0.05 0.13 0.81 -0.75 4.36 4.49 3h1zA1 GLN 748 HB2 -0.14 0.13 -0.00 -0.04 2.15 2.10 3h1zA1 GLN 748 HB3 -0.09 0.02 0.03 -0.04 2.02 1.95 3h1zA1 GLN 748 HG2 -0.03 0.03 -0.03 -0.04 2.40 2.32 3h1zA1 GLN 748 HG3 -0.01 -0.29 0.09 -0.04 2.39 2.13 3h1zA1 GLN 748 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.91 3h1zA1 GLN 748 HE22 0.01 -0.07 -0.04 -0.04 7.69 7.55 3h1zA1 HIS 749 H -0.18 0.06 0.10 -0.55 8.41 7.84 3h1zA1 HIS 749 HA 0.05 0.25 0.40 -0.75 4.63 4.57 3h1zA1 HIS 749 HB2 0.05 0.01 -0.16 -0.04 3.26 3.12 3h1zA1 HIS 749 HB3 0.03 -0.01 0.01 -0.04 3.20 3.18 3h1zA1 HIS 749 HD2 0.02 0.03 -0.02 -0.04 6.97 6.96 3h1zA1 HIS 749 HE1 0.01 -0.00 -0.11 -0.04 7.75 7.61 3h1zA1 MET 750 H 0.23 0.57 0.28 -0.55 8.47 9.01 3h1zA1 MET 750 HA 0.12 0.10 0.78 -0.75 4.52 4.77 3h1zA1 MET 750 HB2 0.30 -0.01 0.10 -0.04 2.15 2.49 3h1zA1 MET 750 HB3 -0.09 -0.04 0.06 -0.04 2.03 1.91 3h1zA1 MET 750 HG2 0.07 0.01 -0.04 -0.04 2.63 2.63 3h1zA1 MET 750 HG3 0.12 0.09 -0.32 -0.04 2.56 2.41 3h1zA1 MET 750 HE3 0.04 0.02 -0.15 -0.04 2.10 1.96 3h1zA1 THR 751 H -0.03 0.12 0.17 -0.55 8.28 7.99 3h1zA1 THR 751 HA 0.15 0.19 0.67 -0.75 4.39 4.64 3h1zA1 THR 751 HB -0.08 0.01 -0.21 -0.04 4.32 4.00 3h1zA1 THR 751 HG23 0.05 0.03 -0.13 -0.04 1.22 1.12 3h1zA1 ASP 752 H 0.05 0.18 0.07 -0.55 8.40 8.15 3h1zA1 ASP 752 HA 0.03 0.09 0.28 -0.75 4.63 4.27 3h1zA1 ASP 752 HB2 -0.06 0.02 -0.19 -0.04 2.71 2.45 3h1zA1 ASP 752 HB3 -0.02 0.07 0.05 -0.04 2.70 2.77 3h1zA1 PHE 753 H 0.25 -0.03 -0.24 -0.55 8.34 7.76 3h1zA1 PHE 753 HA 0.06 0.40 0.66 -0.75 4.62 4.99 3h1zA1 PHE 753 HB2 -0.05 0.00 0.07 -0.04 3.15 3.13 3h1zA1 PHE 753 HB3 -0.01 -0.01 -0.03 -0.04 3.06 2.97 3h1zA1 PHE 753 HD2 0.08 0.01 -0.09 -0.04 7.28 7.24 3h1zA1 PHE 753 HE2 0.20 0.04 -0.16 -0.04 7.38 7.42 3h1zA1 PHE 753 HZ 0.16 -0.01 -0.11 -0.04 7.32 7.32 3h1zA1 ALA 754 H 0.17 0.56 0.44 -0.55 8.40 9.02 3h1zA1 ALA 754 HA 0.08 0.07 0.53 -0.75 4.34 4.27 3h1zA1 ALA 754 HB3 0.03 0.02 0.01 -0.04 1.41 1.43 3h1zA1 ILE 755 H 0.03 0.30 0.23 -0.55 8.25 8.26 3h1zA1 ILE 755 HA 0.09 0.31 1.01 -0.75 4.18 4.84 3h1zA1 ILE 755 HB 0.17 -0.03 -0.15 -0.04 1.89 1.84 3h1zA1 ILE 755 HG12 0.06 -0.03 -0.11 -0.04 1.49 1.38 3h1zA1 ILE 755 HG13 0.20 0.21 0.13 -0.04 1.21 1.71 3h1zA1 ILE 755 HG23 -0.02 -0.02 -0.04 -0.04 0.93 0.81 3h1zA1 ILE 755 HD13 0.37 -0.02 -0.11 -0.04 0.88 1.07 3h1zA1 GLN 756 H 0.05 0.66 0.39 -0.55 8.47 9.03 3h1zA1 GLN 756 HA -0.17 0.08 0.26 -0.75 4.36 3.78 3h1zA1 GLN 756 HB2 -0.02 0.04 0.18 -0.04 2.15 2.31 3h1zA1 GLN 756 HB3 -0.02 0.09 0.10 -0.04 2.02 2.15 3h1zA1 GLN 756 HG2 0.02 -0.05 -0.08 -0.04 2.40 2.26 3h1zA1 GLN 756 HG3 0.05 -0.01 -0.27 -0.04 2.39 2.12 3h1zA1 GLN 756 HE21 0.01 -0.01 -0.06 -0.04 6.97 6.87 3h1zA1 GLN 756 HE22 0.01 -0.01 -0.10 -0.04 7.69 7.55 3h1zA1 PHE 757 H 0.00 0.21 0.18 -0.55 8.34 8.18 3h1zA1 PHE 757 HA -0.05 0.15 1.06 -0.75 4.62 5.02 3h1zA1 PHE 757 HB2 -0.00 0.04 0.08 -0.04 3.15 3.23 3h1zA1 PHE 757 HB3 -0.02 0.15 0.01 -0.04 3.06 3.15 3h1zA1 PHE 757 HD2 -0.01 0.16 -0.39 -0.04 7.28 7.00 3h1zA1 PHE 757 HE2 0.07 -0.03 -0.26 -0.04 7.38 7.12 3h1zA1 PHE 757 HZ 0.11 -0.01 -0.18 -0.04 7.32 7.20 3h1zA1 ASN 758 H 0.06 0.60 0.26 -0.55 8.53 8.91 3h1zA1 ASN 758 HA 0.05 -0.01 0.55 -0.75 4.76 4.60 3h1zA1 ASN 758 HB2 0.01 -0.05 0.10 -0.04 2.88 2.90 3h1zA1 ASN 758 HB3 -0.01 0.00 0.09 -0.04 2.79 2.83 3h1zA1 ASN 758 HD21 -0.02 -0.03 -0.00 -0.04 7.03 6.94 3h1zA1 ASN 758 HD22 -0.02 -0.05 0.00 -0.04 7.74 7.63 3h1zA1 LYS 759 H 0.02 0.02 0.11 -0.55 8.42 8.02 3h1zA1 LYS 759 HA 0.02 0.21 0.43 -0.75 4.32 4.23 3h1zA1 LYS 759 HB2 -0.01 -0.05 -0.08 -0.04 1.87 1.69 3h1zA1 LYS 759 HB3 -0.01 -0.01 -0.39 -0.04 1.79 1.34 3h1zA1 LYS 759 HG2 0.01 0.04 -0.05 -0.04 1.46 1.42 3h1zA1 LYS 759 HG3 0.01 -0.04 0.06 -0.04 1.46 1.44 3h1zA1 LYS 759 HD2 -0.01 -0.02 -0.07 -0.04 1.69 1.55 3h1zA1 LYS 759 HD3 -0.01 0.04 -0.12 -0.04 1.68 1.55 3h1zA1 LYS 759 HE2 0.00 0.01 -0.01 -0.04 2.99 2.96 3h1zA1 LYS 759 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 3h1zA1 ASN 760 H -0.01 0.36 0.32 -0.55 8.53 8.65 3h1zA1 ASN 760 HA -0.05 0.26 0.79 -0.75 4.76 5.00 3h1zA1 ASN 760 HB2 -0.04 -0.04 0.18 -0.04 2.88 2.94 3h1zA1 ASN 760 HB3 -0.04 0.18 -0.20 -0.04 2.79 2.69 3h1zA1 ASN 760 HD21 0.14 0.42 0.06 -0.04 7.03 7.60 3h1zA1 ASN 760 HD22 0.07 0.59 -0.00 -0.04 7.74 8.35 3h1zA1 SER 761 H -0.09 0.26 0.26 -0.55 8.46 8.34 3h1zA1 SER 761 HA -0.25 0.05 0.02 -0.75 4.49 3.56 3h1zA1 SER 761 HB2 -0.33 0.10 0.27 -0.04 3.95 3.95 3h1zA1 SER 761 HB3 -0.70 -0.06 0.13 -0.04 3.93 3.26 3h1zA1 PHE 762 H 0.03 0.03 -0.13 -0.55 8.34 7.71 3h1zA1 PHE 762 HA -0.05 0.20 0.73 -0.75 4.62 4.75 3h1zA1 PHE 762 HB2 -0.08 -0.01 0.01 -0.04 3.15 3.03 3h1zA1 PHE 762 HB3 -0.06 0.01 0.10 -0.04 3.06 3.07 3h1zA1 PHE 762 HD2 -0.09 -0.00 -0.01 -0.04 7.28 7.14 3h1zA1 PHE 762 HE2 -0.12 -0.03 -0.09 -0.04 7.38 7.10 3h1zA1 PHE 762 HZ -0.11 -0.04 -0.06 -0.04 7.32 7.07 3h1zA1 GLY 763 H -0.00 0.27 -0.26 -0.55 8.43 7.89 3h1zA1 GLY 763 HA2 0.02 0.28 -0.01 -0.51 4.01 3.79 3h1zA1 GLY 763 HA3 0.03 0.21 0.12 -0.51 4.01 3.86 3h1zA1 VAL 764 H 0.08 -0.10 -0.21 -0.55 8.24 7.45 3h1zA1 VAL 764 HA 0.11 0.28 0.44 -0.75 4.13 4.20 3h1zA1 VAL 764 HB 0.07 -0.04 -0.03 -0.04 2.12 2.08 3h1zA1 VAL 764 HG13 0.23 0.00 -0.18 -0.04 0.97 0.98 3h1zA1 VAL 764 HG23 0.03 -0.03 -0.17 -0.04 0.95 0.74 3h1zA1 ILE 765 H 0.15 0.45 0.34 -0.55 8.25 8.63 3h1zA1 ILE 765 HA -0.02 0.09 0.63 -0.75 4.18 4.13 3h1zA1 ILE 765 HB 0.04 0.08 -0.34 -0.04 1.89 1.63 3h1zA1 ILE 765 HG12 -0.09 0.19 0.01 -0.04 1.49 1.55 3h1zA1 ILE 765 HG13 -0.08 -0.03 0.10 -0.04 1.21 1.16 3h1zA1 ILE 765 HG23 0.01 0.01 -0.16 -0.04 0.93 0.76 3h1zA1 ILE 765 HD13 -0.02 -0.02 -0.03 -0.04 0.88 0.77 3h1zA1 PRO 766 HA -0.06 0.13 0.68 -0.51 4.44 4.68 3h1zA1 PRO 766 HB2 -0.17 0.04 -0.01 -0.04 2.28 2.11 3h1zA1 PRO 766 HB3 -0.14 0.11 0.09 -0.04 2.02 2.03 3h1zA1 PRO 766 HG2 -0.50 0.05 -0.05 -0.04 2.03 1.48 3h1zA1 PRO 766 HG3 -1.06 0.01 -0.04 -0.04 2.03 0.90 3h1zA1 PRO 766 HD2 -0.37 0.12 0.19 -0.04 3.68 3.59 3h1zA1 PRO 766 HD3 -1.19 0.10 0.14 -0.04 3.65 2.66 3h1zA1 SER 767 H -0.01 0.71 0.32 -0.55 8.46 8.94 3h1zA1 SER 767 HA -0.01 0.00 0.75 -0.75 4.49 4.47 3h1zA1 SER 767 HB2 0.01 -0.04 -0.02 -0.04 3.95 3.85 3h1zA1 SER 767 HB3 -0.00 0.00 -0.28 -0.04 3.93 3.61 3h1zA1 THR 768 H -0.00 0.26 0.09 -0.55 8.28 8.08 3h1zA1 THR 768 HA 0.01 0.15 0.64 -0.75 4.39 4.43 3h1zA1 THR 768 HB 0.03 0.01 0.13 -0.04 4.32 4.45 3h1zA1 THR 768 HG23 0.03 -0.02 -0.17 -0.04 1.22 1.02 3h1zA1 PRO 769 HA -0.00 0.08 0.62 -0.51 4.44 4.63 3h1zA1 PRO 769 HB2 0.05 0.13 -0.07 -0.04 2.28 2.34 3h1zA1 PRO 769 HB3 0.03 0.03 0.12 -0.04 2.02 2.16 3h1zA1 PRO 769 HG2 0.05 0.04 0.03 -0.04 2.03 2.11 3h1zA1 PRO 769 HG3 0.02 0.05 0.04 -0.04 2.03 2.10 3h1zA1 PRO 769 HD2 0.03 0.09 0.17 -0.04 3.68 3.93 3h1zA1 PRO 769 HD3 0.01 0.14 0.11 -0.04 3.65 3.88 3h1zA1 LEU 770 H -0.02 0.09 0.07 -0.55 8.37 7.97 3h1zA1 LEU 770 HA -0.08 0.08 0.59 -0.75 4.35 4.18 3h1zA1 LEU 770 HB2 -0.16 0.01 0.01 -0.04 1.64 1.46 3h1zA1 LEU 770 HB3 -0.38 0.00 -0.13 -0.04 1.64 1.09 3h1zA1 LEU 770 HG 0.03 -0.02 -0.04 -0.04 1.64 1.57 3h1zA1 LEU 770 HD13 0.03 0.00 -0.13 -0.04 0.93 0.79 3h1zA1 LEU 770 HD23 0.07 0.02 -0.11 -0.04 0.89 0.82 3h1zA1 ALA 771 H -0.16 0.16 0.01 -0.55 8.40 7.87 3h1zA1 ALA 771 HA -0.45 0.13 0.45 -0.75 4.34 3.72 3h1zA1 ALA 771 HB3 -0.08 0.01 0.17 -0.04 1.41 1.47 3h1zA1 ILE 772 H -0.53 0.71 -0.26 -0.55 8.25 7.62 3h1zA1 ILE 772 HA -0.37 0.08 0.64 -0.75 4.18 3.78 3h1zA1 ILE 772 HB -0.45 0.00 0.05 -0.04 1.89 1.46 3h1zA1 ILE 772 HG12 -0.60 0.06 -0.17 -0.04 1.49 0.74 3h1zA1 ILE 772 HG13 -0.61 -0.13 -0.65 -0.04 1.21 -0.22 3h1zA1 ILE 772 HG23 -0.38 0.01 -0.08 -0.04 0.93 0.44 3h1zA1 ILE 772 HD13 -1.57 -0.00 -0.14 -0.04 0.88 -0.88 3h1zA1 HIS 773 H -0.14 0.11 0.07 -0.55 8.41 7.91 3h1zA1 HIS 773 HA -0.01 0.21 0.70 -0.75 4.63 4.77 3h1zA1 HIS 773 HB2 -0.03 0.00 -0.01 -0.04 3.26 3.19 3h1zA1 HIS 773 HB3 -0.02 0.01 0.09 -0.04 3.20 3.24 3h1zA1 HIS 773 HD2 -0.04 0.02 -0.09 -0.04 6.97 6.82 3h1zA1 HIS 773 HE1 -0.03 0.06 -0.10 -0.04 7.75 7.63 3h1zA1 THR 774 H -0.01 0.11 0.07 -0.55 8.28 7.90 3h1zA1 THR 774 HA 0.01 0.18 0.71 -0.75 4.39 4.53 3h1zA1 THR 774 HB -0.01 0.06 0.10 -0.04 4.32 4.43 3h1zA1 THR 774 HG23 0.02 -0.01 -0.18 -0.04 1.22 1.01 3h1zA1 PRO 775 HA 0.01 0.13 0.48 -0.51 4.44 4.56 3h1zA1 PRO 775 HB2 -0.20 0.01 -0.03 -0.04 2.28 2.02 3h1zA1 PRO 775 HB3 -0.57 -0.01 -0.10 -0.04 2.02 1.30 3h1zA1 PRO 775 HG2 -0.30 0.05 0.03 -0.04 2.03 1.77 3h1zA1 PRO 775 HG3 -0.25 -0.00 0.01 -0.04 2.03 1.75 3h1zA1 PRO 775 HD2 -0.07 0.11 0.17 -0.04 3.68 3.85 3h1zA1 PRO 775 HD3 -0.06 0.14 0.18 -0.04 3.65 3.87 3h1zA1 LEU 776 H 0.19 0.75 0.39 -0.55 8.37 9.15 3h1zA1 LEU 776 HA 0.05 0.07 0.68 -0.75 4.35 4.39 3h1zA1 LEU 776 HB2 0.10 0.01 0.10 -0.04 1.64 1.82 3h1zA1 LEU 776 HB3 0.29 -0.06 0.21 -0.04 1.64 2.04 3h1zA1 LEU 776 HG 0.10 0.07 -0.18 -0.04 1.64 1.60 3h1zA1 LEU 776 HD13 -0.00 -0.00 -0.13 -0.04 0.93 0.75 3h1zA1 LEU 776 HD23 0.14 -0.01 -0.22 -0.04 0.89 0.76 3h1zA1 MET 777 H 0.05 0.12 0.12 -0.55 8.47 8.21 3h1zA1 MET 777 HA 0.12 0.02 0.18 -0.75 4.52 4.09 3h1zA1 MET 777 HB2 0.04 -0.02 0.01 -0.04 2.15 2.14 3h1zA1 MET 777 HB3 0.05 0.08 0.00 -0.04 2.03 2.12 3h1zA1 MET 777 HG2 0.03 0.11 0.00 -0.04 2.63 2.73 3h1zA1 MET 777 HG3 0.03 -0.01 -0.01 -0.04 2.56 2.53 3h1zA1 MET 777 HE3 0.08 0.01 -0.01 -0.04 2.10 2.14 3h1zA1 PRO 778 HA 0.04 0.10 0.29 -0.51 4.44 4.36 3h1zA1 PRO 778 HB2 0.02 -0.04 0.01 -0.04 2.28 2.23 3h1zA1 PRO 778 HB3 0.02 0.29 0.10 -0.04 2.02 2.39 3h1zA1 PRO 778 HG2 0.03 0.12 -0.19 -0.04 2.03 1.94 3h1zA1 PRO 778 HG3 0.04 -0.04 -0.69 -0.04 2.03 1.30 3h1zA1 PRO 778 HD2 0.06 0.08 0.06 -0.04 3.68 3.84 3h1zA1 PRO 778 HD3 0.10 -0.00 -0.04 -0.04 3.65 3.67 3h1zA1 ASN 779 H 0.02 0.59 0.34 -0.55 8.53 8.94 3h1zA1 ASN 779 HA 0.01 0.04 0.39 -0.75 4.76 4.44 3h1zA1 ASN 779 HB2 0.01 0.14 -0.04 -0.04 2.88 2.95 3h1zA1 ASN 779 HB3 0.00 -0.08 0.19 -0.04 2.79 2.86 3h1zA1 ASN 779 HD21 0.00 -0.02 -0.06 -0.04 7.03 6.91 3h1zA1 ASN 779 HD22 0.01 0.01 -0.12 -0.04 7.74 7.60 3h1zA1 GLN 780 H 0.03 0.56 -0.22 -0.55 8.47 8.29 3h1zA1 GLN 780 HA 0.01 0.08 0.75 -0.75 4.36 4.45 3h1zA1 GLN 780 HB2 0.02 0.06 0.01 -0.04 2.15 2.20 3h1zA1 GLN 780 HB3 0.03 -0.07 0.04 -0.04 2.02 1.97 3h1zA1 GLN 780 HG2 -0.00 0.01 -0.13 -0.04 2.40 2.24 3h1zA1 GLN 780 HG3 0.00 0.02 0.08 -0.04 2.39 2.45 3h1zA1 GLN 780 HE21 -0.00 0.00 0.02 -0.04 6.97 6.95 3h1zA1 GLN 780 HE22 -0.00 0.02 0.02 -0.04 7.69 7.69 3h1zA1 SER 781 H -0.00 0.23 0.23 -0.55 8.46 8.37 3h1zA1 SER 781 HA 0.01 0.35 0.94 -0.75 4.49 5.04 3h1zA1 SER 781 HB2 -0.01 0.01 -0.07 -0.04 3.95 3.84 3h1zA1 SER 781 HB3 -0.02 -0.00 0.08 -0.04 3.93 3.95 3h1zA1 ILE 782 H 0.01 0.64 0.32 -0.55 8.25 8.68 3h1zA1 ILE 782 HA -0.04 0.00 0.89 -0.75 4.18 4.28 3h1zA1 ILE 782 HB -0.11 0.00 0.03 -0.04 1.89 1.77 3h1zA1 ILE 782 HG12 -0.08 0.02 -0.01 -0.04 1.49 1.39 3h1zA1 ILE 782 HG13 -0.05 -0.12 0.20 -0.04 1.21 1.19 3h1zA1 ILE 782 HG23 -0.06 -0.01 -0.16 -0.04 0.93 0.65 3h1zA1 ILE 782 HD13 -0.37 0.01 -0.09 -0.04 0.88 0.38 3h1zA1 ASP 783 H -0.05 0.19 0.18 -0.55 8.40 8.18 3h1zA1 ASP 783 HA -0.02 0.20 1.00 -0.75 4.63 5.06 3h1zA1 ASP 783 HB2 -0.05 -0.01 0.11 -0.04 2.71 2.72 3h1zA1 ASP 783 HB3 -0.05 0.06 0.04 -0.04 2.70 2.71 3h1zA1 VAL 784 H 0.00 0.94 0.38 -0.55 8.24 9.01 3h1zA1 VAL 784 HA -0.08 0.15 0.89 -0.75 4.13 4.34 3h1zA1 VAL 784 HB 0.02 -0.03 0.01 -0.04 2.12 2.08 3h1zA1 VAL 784 HG13 -0.15 -0.02 -0.20 -0.04 0.97 0.56 3h1zA1 VAL 784 HG23 -0.38 0.04 -0.36 -0.04 0.95 0.21 3h1zA1 SER 785 H -0.02 0.22 0.14 -0.55 8.46 8.26 3h1zA1 SER 785 HA 0.05 0.12 0.86 -0.75 4.49 4.77 3h1zA1 SER 785 HB2 -0.06 -0.01 0.01 -0.04 3.95 3.85 3h1zA1 SER 785 HB3 -0.02 0.02 0.18 -0.04 3.93 4.07 3h1zA1 LEU 786 H 0.16 0.71 0.23 -0.55 8.37 8.92 3h1zA1 LEU 786 HA 0.11 0.23 0.87 -0.75 4.35 4.80 3h1zA1 LEU 786 HB2 0.13 -0.06 -0.06 -0.04 1.64 1.61 3h1zA1 LEU 786 HB3 0.19 -0.01 0.19 -0.04 1.64 1.97 3h1zA1 LEU 786 HG 0.12 0.05 -0.21 -0.04 1.64 1.56 3h1zA1 LEU 786 HD13 0.03 0.01 -0.16 -0.04 0.93 0.78 3h1zA1 LEU 786 HD23 0.19 -0.03 -0.10 -0.04 0.89 0.92 3h1zA1 PRO 787 HA -0.25 0.22 0.69 -0.51 4.44 4.59 3h1zA1 PRO 787 HB2 -0.05 0.01 -0.02 -0.04 2.28 2.19 3h1zA1 PRO 787 HB3 -0.10 0.04 0.08 -0.04 2.02 1.99 3h1zA1 PRO 787 HG2 0.04 -0.09 0.05 -0.04 2.03 1.99 3h1zA1 PRO 787 HG3 0.09 0.07 0.05 -0.04 2.03 2.19 3h1zA1 PRO 787 HD2 0.08 0.10 0.26 -0.04 3.68 4.07 3h1zA1 PRO 787 HD3 0.17 0.28 0.14 -0.04 3.65 4.19 3h1zA1 LEU 788 H -0.09 0.75 0.38 -0.55 8.37 8.87 3h1zA1 LEU 788 HA 0.06 0.11 1.05 -0.75 4.35 4.82 3h1zA1 LEU 788 HB2 0.10 -0.04 -0.11 -0.04 1.64 1.54 3h1zA1 LEU 788 HB3 0.18 0.04 0.01 -0.04 1.64 1.83 3h1zA1 LEU 788 HG 0.20 0.00 -0.24 -0.04 1.64 1.55 3h1zA1 LEU 788 HD13 0.40 -0.01 -0.22 -0.04 0.93 1.05 3h1zA1 LEU 788 HD23 0.33 0.02 -0.32 -0.04 0.89 0.88 3h1zA1 ASN 789 H 0.05 0.63 0.34 -0.55 8.53 9.00 3h1zA1 ASN 789 HA -0.00 0.16 0.72 -0.75 4.76 4.88 3h1zA1 ASN 789 HB2 0.00 -0.05 0.18 -0.04 2.88 2.97 3h1zA1 ASN 789 HB3 0.01 0.06 -0.07 -0.04 2.79 2.74 3h1zA1 ASN 789 HD21 -0.00 0.12 -0.17 -0.04 7.03 6.94 3h1zA1 ASN 789 HD22 0.00 -0.09 -0.18 -0.04 7.74 7.43 3h1zA1 THR 790 H 0.00 0.16 0.12 -0.55 8.28 8.02 3h1zA1 THR 790 HA 0.05 0.26 0.71 -0.75 4.39 4.66 3h1zA1 THR 790 HB 0.04 0.25 0.18 -0.04 4.32 4.75 3h1zA1 THR 790 HG23 -0.01 -0.05 -0.17 -0.04 1.22 0.95 3h1zA1 LEU 791 H 0.02 -0.00 -0.19 -0.55 8.37 7.65 3h1zA1 LEU 791 HA 0.01 0.22 0.78 -0.75 4.35 4.61 3h1zA1 LEU 791 HB2 0.01 -0.01 0.06 -0.04 1.64 1.65 3h1zA1 LEU 791 HB3 0.01 0.01 0.17 -0.04 1.64 1.79 3h1zA1 LEU 791 HG 0.01 -0.15 -0.01 -0.04 1.64 1.44 3h1zA1 LEU 791 HD13 0.01 0.00 0.02 -0.04 0.93 0.91 3h1zA1 LEU 791 HD23 0.01 0.04 -0.07 -0.04 0.89 0.83 3h1zA1 GLY 792 H 0.03 0.56 -0.25 -0.55 8.43 8.22 3h1zA1 GLY 792 HA2 0.01 0.07 0.44 -0.51 4.01 4.03 3h1zA1 GLY 792 HA3 0.02 0.04 0.14 -0.51 4.01 3.71 3h1zA1 PRO 793 HA -0.00 0.06 0.53 -0.51 4.44 4.52 3h1zA1 PRO 793 HB2 0.00 -0.01 -0.06 -0.04 2.28 2.18 3h1zA1 PRO 793 HB3 0.00 0.02 0.11 -0.04 2.02 2.11 3h1zA1 PRO 793 HG2 0.02 0.03 0.06 -0.04 2.03 2.09 3h1zA1 PRO 793 HG3 0.01 0.03 0.07 -0.04 2.03 2.09 3h1zA1 PRO 793 HD2 0.01 0.10 0.16 -0.04 3.68 3.91 3h1zA1 PRO 793 HD3 0.00 0.13 0.14 -0.04 3.65 3.88 3h1zA1 VAL 794 H -0.02 0.16 0.20 -0.55 8.24 8.03 3h1zA1 VAL 794 HA -0.04 0.25 0.87 -0.75 4.13 4.46 3h1zA1 VAL 794 HB -0.04 -0.06 0.10 -0.04 2.12 2.08 3h1zA1 VAL 794 HG13 -0.10 0.00 -0.15 -0.04 0.97 0.68 3h1zA1 VAL 794 HG23 -0.03 0.03 -0.14 -0.04 0.95 0.77 3h1zA1 MET 795 H -0.06 0.46 -0.04 -0.55 8.47 8.28 3h1zA1 MET 795 HA -0.05 0.06 0.40 -0.75 4.52 4.17 3h1zA1 MET 795 HB2 -0.03 0.08 -0.14 -0.04 2.15 2.02 3h1zA1 MET 795 HB3 -0.03 -0.01 -0.39 -0.04 2.03 1.56 3h1zA1 MET 795 HG2 -0.04 0.17 -0.37 -0.04 2.63 2.34 3h1zA1 MET 795 HG3 -0.03 -0.05 -0.00 -0.04 2.56 2.43 3h1zA1 MET 795 HE3 -0.02 0.01 -0.10 -0.04 2.10 1.95 3h1zA1 LYS 796 H -0.06 0.12 0.05 -0.55 8.42 7.97 3h1zA1 LYS 796 HA -0.13 0.00 0.38 -0.75 4.32 3.82 3h1zA1 LYS 796 HB2 -0.07 -0.02 0.11 -0.04 1.87 1.85 3h1zA1 LYS 796 HB3 -0.05 -0.00 0.05 -0.04 1.79 1.75 3h1zA1 LYS 796 HG2 -0.07 0.20 -0.06 -0.04 1.46 1.49 3h1zA1 LYS 796 HG3 -0.11 -0.04 0.07 -0.04 1.46 1.34 3h1zA1 LYS 796 HD2 -0.04 -0.04 -0.00 -0.04 1.69 1.57 3h1zA1 LYS 796 HD3 -0.05 -0.01 0.00 -0.04 1.68 1.58 3h1zA1 LYS 796 HE2 -0.03 -0.00 -0.08 -0.04 2.99 2.84 3h1zA1 LYS 796 HE3 -0.02 0.03 -0.10 -0.04 2.99 2.87 3h1zA1 MET 797 H -0.11 0.09 0.30 -0.55 8.47 8.21 3h1zA1 MET 797 HA -0.04 0.16 0.81 -0.75 4.52 4.70 3h1zA1 MET 797 HB2 -0.07 0.04 0.14 -0.04 2.15 2.23 3h1zA1 MET 797 HB3 -0.05 -0.04 0.04 -0.04 2.03 1.94 3h1zA1 MET 797 HG2 -0.07 0.03 0.02 -0.04 2.63 2.57 3h1zA1 MET 797 HG3 -0.06 0.16 0.18 -0.04 2.56 2.79 3h1zA1 MET 797 HE3 -0.05 -0.04 -0.17 -0.04 2.10 1.80 3h1zA1 GLU 798 H -0.02 0.26 0.07 -0.55 8.60 8.36 3h1zA1 GLU 798 HA 0.03 -0.10 0.44 -0.75 4.29 3.90 3h1zA1 GLU 798 HB2 0.01 0.05 -0.12 -0.04 2.09 2.00 3h1zA1 GLU 798 HB3 0.01 0.02 0.04 -0.04 1.99 2.01 3h1zA1 GLU 798 HG2 0.03 0.01 -0.05 -0.04 2.34 2.29 3h1zA1 GLU 798 HG3 0.03 0.03 -0.24 -0.04 2.34 2.12 3h1zA1 PRO 799 HA 0.14 0.11 0.35 -0.51 4.44 4.52 3h1zA1 PRO 799 HB2 0.19 -0.12 -0.07 -0.04 2.28 2.24 3h1zA1 PRO 799 HB3 0.23 0.08 0.09 -0.04 2.02 2.38 3h1zA1 PRO 799 HG2 0.06 -0.00 -0.02 -0.04 2.03 2.03 3h1zA1 PRO 799 HG3 0.08 0.08 0.04 -0.04 2.03 2.20 3h1zA1 PRO 799 HD2 0.03 0.15 0.47 -0.04 3.68 4.29 3h1zA1 PRO 799 HD3 0.05 0.12 0.04 -0.04 3.65 3.82 3h1zA1 LEU 800 H 0.06 0.15 0.12 -0.55 8.37 8.15 3h1zA1 LEU 800 HA -0.14 0.30 0.39 -0.75 4.35 4.15 3h1zA1 LEU 800 HB2 -0.46 0.03 0.16 -0.04 1.64 1.33 3h1zA1 LEU 800 HB3 -1.16 -0.05 0.06 -0.04 1.64 0.45 3h1zA1 LEU 800 HG -0.19 -0.01 -0.04 -0.04 1.64 1.35 3h1zA1 LEU 800 HD13 -0.19 0.02 0.07 -0.04 0.93 0.79 3h1zA1 LEU 800 HD23 -0.18 0.00 -0.05 -0.04 0.89 0.62 3h1zA1 ASN 801 H -0.12 0.02 -0.32 -0.55 8.53 7.56 3h1zA1 ASN 801 HA 0.01 0.20 0.77 -0.75 4.76 4.98 3h1zA1 ASN 801 HB2 -0.12 0.17 0.23 -0.04 2.88 3.12 3h1zA1 ASN 801 HB3 -0.09 -0.04 0.03 -0.04 2.79 2.65 3h1zA1 ASN 801 HD21 0.06 -0.04 -0.11 -0.04 7.03 6.90 3h1zA1 ASN 801 HD22 -0.05 0.46 -0.09 -0.04 7.74 8.02 3h1zA1 ASN 802 H -0.04 0.49 -0.50 -0.55 8.53 7.93 3h1zA1 ASN 802 HA -0.07 0.06 0.53 -0.75 4.76 4.53 3h1zA1 ASN 802 HB2 -0.01 -0.04 -0.14 -0.04 2.88 2.65 3h1zA1 ASN 802 HB3 -0.04 -0.00 -0.13 -0.04 2.79 2.58 3h1zA1 ASN 802 HD21 -0.03 -0.04 -0.12 -0.04 7.03 6.81 3h1zA1 ASN 802 HD22 -0.03 0.03 -0.13 -0.04 7.74 7.57 3h1zA1 LEU 803 H -0.14 0.50 0.27 -0.55 8.37 8.46 3h1zA1 LEU 803 HA -0.16 0.17 0.88 -0.75 4.35 4.49 3h1zA1 LEU 803 HB2 -0.24 -0.01 -0.14 -0.04 1.64 1.21 3h1zA1 LEU 803 HB3 -0.27 0.03 0.10 -0.04 1.64 1.46 3h1zA1 LEU 803 HG -0.52 0.00 -0.38 -0.04 1.64 0.70 3h1zA1 LEU 803 HD13 -0.36 0.00 -0.06 -0.04 0.93 0.47 3h1zA1 LEU 803 HD23 -0.73 -0.02 -0.18 -0.04 0.89 -0.08 3h1zA1 GLN 804 H -0.12 0.25 0.13 -0.55 8.47 8.18 3h1zA1 GLN 804 HA -0.16 0.16 0.98 -0.75 4.36 4.59 3h1zA1 GLN 804 HB2 -0.05 -0.02 0.15 -0.04 2.15 2.19 3h1zA1 GLN 804 HB3 -0.04 0.05 0.01 -0.04 2.02 2.00 3h1zA1 GLN 804 HG2 -0.05 0.00 -0.04 -0.04 2.40 2.27 3h1zA1 GLN 804 HG3 -0.06 -0.06 -0.12 -0.04 2.39 2.11 3h1zA1 GLN 804 HE21 -0.03 0.01 -0.03 -0.04 6.97 6.88 3h1zA1 GLN 804 HE22 -0.03 -0.02 -0.05 -0.04 7.69 7.55 3h1zA1 VAL 805 H -0.39 0.79 0.42 -0.55 8.24 8.50 3h1zA1 VAL 805 HA -0.04 0.20 1.04 -0.75 4.13 4.58 3h1zA1 VAL 805 HB -1.67 -0.05 -0.01 -0.04 2.12 0.35 3h1zA1 VAL 805 HG13 0.06 0.00 -0.22 -0.04 0.97 0.77 3h1zA1 VAL 805 HG23 -0.55 0.01 -0.30 -0.04 0.95 0.07 3h1zA1 ALA 806 H 0.05 0.77 0.39 -0.55 8.40 9.07 3h1zA1 ALA 806 HA -0.15 0.32 1.04 -0.75 4.34 4.79 3h1zA1 ALA 806 HB3 -0.01 -0.02 0.04 -0.04 1.41 1.37 3h1zA1 VAL 807 H 0.02 0.70 0.29 -0.55 8.24 8.69 3h1zA1 VAL 807 HA 0.17 0.27 1.03 -0.75 4.13 4.84 3h1zA1 VAL 807 HB 0.36 -0.06 0.04 -0.04 2.12 2.42 3h1zA1 VAL 807 HG13 0.52 0.00 -0.13 -0.04 0.97 1.33 3h1zA1 VAL 807 HG23 0.39 -0.02 -0.16 -0.04 0.95 1.12 3h1zA1 LYS 808 H 0.10 0.52 0.30 -0.55 8.42 8.79 3h1zA1 LYS 808 HA -0.03 0.22 1.17 -0.75 4.32 4.92 3h1zA1 LYS 808 HB2 -0.11 0.18 0.12 -0.04 1.87 2.02 3h1zA1 LYS 808 HB3 -0.10 -0.12 0.02 -0.04 1.79 1.55 3h1zA1 LYS 808 HG2 -0.01 -0.08 -0.03 -0.04 1.46 1.29 3h1zA1 LYS 808 HG3 -0.03 0.10 -0.11 -0.04 1.46 1.38 3h1zA1 LYS 808 HD2 -0.06 0.10 -0.10 -0.04 1.69 1.59 3h1zA1 LYS 808 HD3 -0.06 -0.07 -0.08 -0.04 1.68 1.43 3h1zA1 LYS 808 HE2 -0.01 -0.05 -0.09 -0.04 2.99 2.80 3h1zA1 LYS 808 HE3 -0.02 0.05 -0.09 -0.04 2.99 2.88 3h1zA1 ASN 809 H -0.08 0.40 0.27 -0.55 8.53 8.57 3h1zA1 ASN 809 HA -0.36 0.32 0.28 -0.75 4.76 4.25 3h1zA1 ASN 809 HB2 -0.56 -0.07 0.23 -0.04 2.88 2.44 3h1zA1 ASN 809 HB3 -1.06 0.04 -0.01 -0.04 2.79 1.72 3h1zA1 ASN 809 HD21 0.18 0.07 -0.03 -0.04 7.03 7.22 3h1zA1 ASN 809 HD22 -0.07 0.02 -0.05 -0.04 7.74 7.59 3h1zA1 ASN 810 H -0.15 0.14 0.19 -0.55 8.53 8.16 3h1zA1 ASN 810 HA -0.05 0.16 0.41 -0.75 4.76 4.53 3h1zA1 ASN 810 HB2 0.00 0.04 0.07 -0.04 2.88 2.95 3h1zA1 ASN 810 HB3 -0.01 -0.03 -0.04 -0.04 2.79 2.67 3h1zA1 ASN 810 HD21 0.02 0.12 -0.06 -0.04 7.03 7.08 3h1zA1 ASN 810 HD22 0.02 0.02 -0.10 -0.04 7.74 7.63 3h1zA1 ILE 811 H -0.03 -0.06 -0.32 -0.55 8.25 7.29 3h1zA1 ILE 811 HA -0.00 0.17 0.65 -0.75 4.18 4.24 3h1zA1 ILE 811 HB 0.14 -0.04 0.07 -0.04 1.89 2.01 3h1zA1 ILE 811 HG12 0.04 0.02 -0.00 -0.04 1.49 1.51 3h1zA1 ILE 811 HG13 0.01 0.02 -0.13 -0.04 1.21 1.07 3h1zA1 ILE 811 HG23 0.11 0.01 -0.10 -0.04 0.93 0.91 3h1zA1 ILE 811 HD13 0.03 0.01 0.03 -0.04 0.88 0.91 3h1zA1 ASP 812 H -0.13 0.12 0.05 -0.55 8.40 7.89 3h1zA1 ASP 812 HA -0.22 0.13 0.52 -0.75 4.63 4.30 3h1zA1 ASP 812 HB2 -0.44 -0.10 -0.31 -0.04 2.71 1.83 3h1zA1 ASP 812 HB3 -0.95 0.11 -0.06 -0.04 2.70 1.76 3h1zA1 VAL 813 H -0.39 0.20 0.17 -0.55 8.24 7.66 3h1zA1 VAL 813 HA -0.36 0.16 0.91 -0.75 4.13 4.08 3h1zA1 VAL 813 HB -0.22 -0.03 0.12 -0.04 2.12 1.95 3h1zA1 VAL 813 HG13 -0.51 -0.00 -0.21 -0.04 0.97 0.22 3h1zA1 VAL 813 HG23 -0.12 -0.00 -0.06 -0.04 0.95 0.73 3h1zA1 PHE 814 H -0.21 0.87 0.37 -0.55 8.34 8.82 3h1zA1 PHE 814 HA -0.10 0.19 0.97 -0.75 4.62 4.93 3h1zA1 PHE 814 HB2 0.05 -0.02 0.01 -0.04 3.15 3.15 3h1zA1 PHE 814 HB3 0.07 0.03 0.04 -0.04 3.06 3.15 3h1zA1 PHE 814 HD2 0.04 0.10 -0.03 -0.04 7.28 7.35 3h1zA1 PHE 814 HE2 0.01 -0.05 -0.12 -0.04 7.38 7.17 3h1zA1 PHE 814 HZ 0.00 -0.02 -0.20 -0.04 7.32 7.06 3h1zA1 TYR 815 H 0.30 0.27 0.23 -0.55 8.29 8.54 3h1zA1 TYR 815 HA 0.02 0.35 1.08 -0.75 4.56 5.25 3h1zA1 TYR 815 HB2 0.07 -0.03 0.08 -0.04 3.06 3.14 3h1zA1 TYR 815 HB3 0.00 0.02 0.01 -0.04 2.98 2.98 3h1zA1 TYR 815 HD2 0.02 0.02 -0.05 -0.04 7.15 7.11 3h1zA1 TYR 815 HE2 -0.01 0.02 -0.08 -0.04 6.85 6.73 3h1zA1 PHE 816 H -0.29 0.57 0.37 -0.55 8.34 8.44 3h1zA1 PHE 816 HA 0.09 0.14 0.58 -0.75 4.62 4.67 3h1zA1 PHE 816 HB2 0.06 0.18 0.21 -0.04 3.15 3.56 3h1zA1 PHE 816 HB3 0.09 0.03 -0.03 -0.04 3.06 3.11 3h1zA1 PHE 816 HD2 -0.04 0.03 -0.38 -0.04 7.28 6.84 3h1zA1 PHE 816 HE2 -0.20 -0.01 -0.24 -0.04 7.38 6.90 3h1zA1 PHE 816 HZ 0.14 -0.00 -0.21 -0.04 7.32 7.22 3h1zA1 SER 817 H 0.22 0.27 0.26 -0.55 8.46 8.67 3h1zA1 SER 817 HA -0.12 0.00 1.11 -0.75 4.49 4.73 3h1zA1 SER 817 HB2 -0.04 0.00 0.01 -0.04 3.95 3.87 3h1zA1 SER 817 HB3 -0.01 0.00 -0.06 -0.04 3.93 3.81 3h1zA1 CYS 818 H -0.17 0.70 0.35 -0.55 8.50 8.83 3h1zA1 CYS 818 HA -0.13 0.11 0.60 -0.75 4.58 4.40 3h1zA1 CYS 818 HB2 -0.64 0.05 0.03 -0.04 2.97 2.37 3h1zA1 CYS 818 HB3 -1.23 0.08 -0.11 -0.04 2.97 1.67 3h1zA1 LEU 819 H 0.01 0.17 0.12 -0.55 8.37 8.12 3h1zA1 LEU 819 HA -0.08 0.19 0.68 -0.75 4.35 4.39 3h1zA1 LEU 819 HB2 0.05 0.00 0.05 -0.04 1.64 1.70 3h1zA1 LEU 819 HB3 0.00 0.01 -0.14 -0.04 1.64 1.48 3h1zA1 LEU 819 HG 0.03 -0.02 -0.06 -0.04 1.64 1.55 3h1zA1 LEU 819 HD13 0.06 0.00 -0.05 -0.04 0.93 0.91 3h1zA1 LEU 819 HD23 0.02 -0.01 -0.19 -0.04 0.89 0.67 3h1zA1 ILE 820 H -0.22 0.71 0.23 -0.55 8.25 8.41 3h1zA1 ILE 820 HA -0.91 0.17 0.79 -0.75 4.18 3.48 3h1zA1 ILE 820 HB -0.34 -0.06 0.07 -0.04 1.89 1.51 3h1zA1 ILE 820 HG12 -0.87 0.01 -0.13 -0.04 1.49 0.46 3h1zA1 ILE 820 HG13 -0.38 0.08 -0.07 -0.04 1.21 0.80 3h1zA1 ILE 820 HG23 -0.68 0.03 -0.20 -0.04 0.93 0.04 3h1zA1 ILE 820 HD13 -0.21 -0.01 -0.12 -0.04 0.88 0.50 3h1zA1 PRO 821 HA -0.06 0.01 0.37 -0.51 4.44 4.25 3h1zA1 PRO 821 HB2 -0.07 -0.04 0.06 -0.04 2.28 2.19 3h1zA1 PRO 821 HB3 0.02 0.05 0.07 -0.04 2.02 2.12 3h1zA1 PRO 821 HG2 0.12 0.06 0.13 -0.04 2.03 2.30 3h1zA1 PRO 821 HG3 0.10 0.08 0.07 -0.04 2.03 2.24 3h1zA1 PRO 821 HD2 -0.26 0.07 0.18 -0.04 3.68 3.63 3h1zA1 PRO 821 HD3 -0.09 0.35 0.28 -0.04 3.65 4.15 3h1zA1 LEU 822 H -0.11 0.13 0.17 -0.55 8.37 8.02 3h1zA1 LEU 822 HA -0.31 0.11 0.16 -0.75 4.35 3.55 3h1zA1 LEU 822 HB2 -0.02 -0.00 0.11 -0.04 1.64 1.69 3h1zA1 LEU 822 HB3 -0.04 0.05 -0.09 -0.04 1.64 1.51 3h1zA1 LEU 822 HG 0.07 -0.03 -0.09 -0.04 1.64 1.55 3h1zA1 LEU 822 HD13 -0.27 0.00 -0.04 -0.04 0.93 0.59 3h1zA1 LEU 822 HD23 -0.13 0.01 -0.03 -0.04 0.89 0.70 3h1zA1 ASN 823 H -0.38 0.03 -0.31 -0.55 8.53 7.32 3h1zA1 ASN 823 HA -2.18 0.10 0.41 -0.75 4.76 2.34 3h1zA1 ASN 823 HB2 -0.27 0.11 0.00 -0.04 2.88 2.68 3h1zA1 ASN 823 HB3 -0.43 -0.00 0.06 -0.04 2.79 2.38 3h1zA1 ASN 823 HD21 0.05 0.01 -0.06 -0.04 7.03 6.99 3h1zA1 ASN 823 HD22 -0.03 0.09 -0.12 -0.04 7.74 7.63 3h1zA1 VAL 824 H -0.27 0.45 -0.30 -0.55 8.24 7.56 3h1zA1 VAL 824 HA -0.10 0.12 0.45 -0.75 4.13 3.84 3h1zA1 VAL 824 HB -0.02 0.03 -0.08 -0.04 2.12 2.01 3h1zA1 VAL 824 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.79 3h1zA1 VAL 824 HG23 -0.21 0.05 -0.19 -0.04 0.95 0.57 3h1zA1 LEU 825 H -0.37 0.35 -0.50 -0.55 8.37 7.30 3h1zA1 LEU 825 HA -0.25 0.14 0.67 -0.75 4.35 4.16 3h1zA1 LEU 825 HB2 -0.39 0.12 0.07 -0.04 1.64 1.40 3h1zA1 LEU 825 HB3 -0.33 -0.23 0.19 -0.04 1.64 1.22 3h1zA1 LEU 825 HG -0.37 0.04 -0.17 -0.04 1.64 1.10 3h1zA1 LEU 825 HD13 -0.75 -0.02 -0.05 -0.04 0.93 0.06 3h1zA1 LEU 825 HD23 -0.20 0.03 -0.19 -0.04 0.89 0.48 3h1zA1 PHE 826 H -0.14 0.45 -0.29 -0.55 8.34 7.81 3h1zA1 PHE 826 HA -0.09 0.09 0.74 -0.75 4.62 4.61 3h1zA1 PHE 826 HB2 0.01 0.14 0.15 -0.04 3.15 3.42 3h1zA1 PHE 826 HB3 0.00 0.10 0.06 -0.04 3.06 3.17 3h1zA1 PHE 826 HD2 -0.07 0.20 -0.19 -0.04 7.28 7.18 3h1zA1 PHE 826 HE2 -0.04 -0.06 -0.18 -0.04 7.38 7.06 3h1zA1 PHE 826 HZ 0.04 -0.09 -0.15 -0.04 7.32 7.08 3h1zA1 VAL 827 H 0.01 0.60 0.23 -0.55 8.24 8.54 3h1zA1 VAL 827 HA 0.10 0.12 0.39 -0.75 4.13 3.99 3h1zA1 VAL 827 HB 0.01 -0.14 0.01 -0.04 2.12 1.95 3h1zA1 VAL 827 HG13 -0.06 0.03 -0.24 -0.04 0.97 0.67 3h1zA1 VAL 827 HG23 -0.11 0.02 -0.28 -0.04 0.95 0.54 3h1zA1 GLU 828 H 0.13 0.12 0.09 -0.55 8.60 8.40 3h1zA1 GLU 828 HA 0.23 0.00 0.41 -0.75 4.29 4.17 3h1zA1 GLU 828 HB2 0.08 0.00 0.09 -0.04 2.09 2.21 3h1zA1 GLU 828 HB3 0.10 0.00 0.02 -0.04 1.99 2.07 3h1zA1 GLU 828 HG2 0.07 0.00 -0.00 -0.04 2.34 2.36 3h1zA1 GLU 828 HG3 0.09 0.00 0.03 -0.04 2.34 2.42 3h1zA1 ASP 829 H 0.06 0.11 -0.23 -0.55 8.40 7.78 3h1zA1 ASP 829 HA 0.02 0.11 0.54 -0.75 4.63 4.55 3h1zA1 ASP 829 HB2 0.04 -0.01 0.06 -0.04 2.71 2.75 3h1zA1 ASP 829 HB3 0.03 0.03 0.12 -0.04 2.70 2.83 3h1zA1 GLY 830 H 0.12 0.49 -0.30 -0.55 8.43 8.20 3h1zA1 GLY 830 HA2 -0.04 0.15 0.73 -0.51 4.01 4.34 3h1zA1 GLY 830 HA3 0.17 0.09 0.25 -0.51 4.01 4.01 3h1zA1 LYS 831 H -0.06 0.11 -0.17 -0.55 8.42 7.75 3h1zA1 LYS 831 HA 0.10 0.15 0.74 -0.75 4.32 4.55 3h1zA1 LYS 831 HB2 -1.12 0.04 0.02 -0.04 1.87 0.77 3h1zA1 LYS 831 HB3 -0.25 -0.03 0.10 -0.04 1.79 1.56 3h1zA1 LYS 831 HG2 -0.06 0.02 -0.32 -0.04 1.46 1.06 3h1zA1 LYS 831 HG3 -0.05 0.01 -0.11 -0.04 1.46 1.26 3h1zA1 LYS 831 HD2 -0.26 0.02 -0.04 -0.04 1.69 1.37 3h1zA1 LYS 831 HD3 -0.11 -0.04 -0.06 -0.04 1.68 1.42 3h1zA1 LYS 831 HE2 0.00 0.01 -0.09 -0.04 2.99 2.87 3h1zA1 LYS 831 HE3 0.07 0.03 -0.07 -0.04 2.99 2.98 3h1zA1 MET 832 H 0.20 0.20 0.01 -0.55 8.47 8.33 3h1zA1 MET 832 HA -0.08 0.04 0.33 -0.75 4.52 4.06 3h1zA1 MET 832 HB2 -0.22 0.06 -0.02 -0.04 2.15 1.93 3h1zA1 MET 832 HB3 0.12 -0.02 -0.04 -0.04 2.03 2.05 3h1zA1 MET 832 HG2 -0.16 -0.02 -0.18 -0.04 2.63 2.23 3h1zA1 MET 832 HG3 -0.60 0.01 -0.08 -0.04 2.56 1.84 3h1zA1 MET 832 HE3 -1.58 0.01 -0.10 -0.04 2.10 0.39 3h1zA1 GLU 833 H -0.04 0.13 0.15 -0.55 8.60 8.29 3h1zA1 GLU 833 HA -0.01 0.14 0.53 -0.75 4.29 4.20 3h1zA1 GLU 833 HB2 -0.02 0.12 0.17 -0.04 2.09 2.32 3h1zA1 GLU 833 HB3 -0.02 -0.15 0.09 -0.04 1.99 1.87 3h1zA1 GLU 833 HG2 -0.01 0.07 0.06 -0.04 2.34 2.41 3h1zA1 GLU 833 HG3 -0.02 -0.14 0.07 -0.04 2.34 2.21 3h1zA1 ARG 834 H -0.02 0.20 0.19 -0.55 8.46 8.27 3h1zA1 ARG 834 HA -0.05 0.14 0.31 -0.75 4.34 3.98 3h1zA1 ARG 834 HB2 -0.04 -0.06 0.17 -0.04 1.90 1.93 3h1zA1 ARG 834 HB3 -0.06 0.02 -0.07 -0.04 1.80 1.65 3h1zA1 ARG 834 HG2 -0.13 0.03 0.06 -0.04 1.67 1.59 3h1zA1 ARG 834 HG3 -0.07 0.06 0.16 -0.04 1.67 1.78 3h1zA1 ARG 834 HD2 -0.05 -0.05 0.07 -0.04 3.22 3.15 3h1zA1 ARG 834 HD3 -0.08 -0.03 0.04 -0.04 3.22 3.10 3h1zA1 GLN 835 H -0.01 0.09 -0.16 -0.55 8.47 7.85 3h1zA1 GLN 835 HA 0.00 0.13 0.53 -0.75 4.36 4.27 3h1zA1 GLN 835 HB2 -0.01 -0.02 0.06 -0.04 2.15 2.13 3h1zA1 GLN 835 HB3 -0.01 0.06 0.00 -0.04 2.02 2.03 3h1zA1 GLN 835 HG2 -0.02 -0.05 -0.00 -0.04 2.40 2.29 3h1zA1 GLN 835 HG3 -0.01 0.05 0.01 -0.04 2.39 2.40 3h1zA1 GLN 835 HE21 -0.03 0.04 -0.04 -0.04 6.97 6.90 3h1zA1 GLN 835 HE22 -0.03 -0.02 -0.07 -0.04 7.69 7.52 3h1zA1 VAL 836 H -0.01 0.07 -0.24 -0.55 8.24 7.51 3h1zA1 VAL 836 HA -0.05 0.08 0.52 -0.75 4.13 3.94 3h1zA1 VAL 836 HB -0.08 0.05 0.06 -0.04 2.12 2.10 3h1zA1 VAL 836 HG13 -0.19 0.02 -0.10 -0.04 0.97 0.66 3h1zA1 VAL 836 HG23 -0.05 -0.00 0.01 -0.04 0.95 0.87 3h1zA1 PHE 837 H 0.10 0.55 -0.28 -0.55 8.34 8.16 3h1zA1 PHE 837 HA -0.07 0.02 0.36 -0.75 4.62 4.17 3h1zA1 PHE 837 HB2 -0.06 0.05 -0.08 -0.04 3.15 3.03 3h1zA1 PHE 837 HB3 -0.06 0.17 0.09 -0.04 3.06 3.22 3h1zA1 PHE 837 HD2 -0.02 0.01 -0.25 -0.04 7.28 6.98 3h1zA1 PHE 837 HE2 -0.08 0.15 -0.08 -0.04 7.38 7.33 3h1zA1 PHE 837 HZ 0.09 0.11 0.03 -0.04 7.32 7.51 3h1zA1 LEU 838 H 0.18 0.47 -0.15 -0.55 8.37 8.32 3h1zA1 LEU 838 HA 0.15 0.01 0.36 -0.75 4.35 4.12 3h1zA1 LEU 838 HB2 0.05 0.10 0.19 -0.04 1.64 1.94 3h1zA1 LEU 838 HB3 0.03 0.04 0.00 -0.04 1.64 1.67 3h1zA1 LEU 838 HG 0.01 -0.00 -0.02 -0.04 1.64 1.59 3h1zA1 LEU 838 HD13 -0.04 0.00 -0.02 -0.04 0.93 0.83 3h1zA1 LEU 838 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 3h1zA1 ALA 839 H 0.01 0.45 -0.19 -0.55 8.40 8.13 3h1zA1 ALA 839 HA 0.01 0.03 0.45 -0.75 4.34 4.07 3h1zA1 ALA 839 HB3 -0.02 0.00 0.08 -0.04 1.41 1.44 3h1zA1 THR 840 H -0.07 0.61 -0.17 -0.55 8.28 8.09 3h1zA1 THR 840 HA -0.09 0.01 0.41 -0.75 4.39 3.96 3h1zA1 THR 840 HB -0.24 0.05 0.12 -0.04 4.32 4.21 3h1zA1 THR 840 HG23 -0.18 -0.02 -0.09 -0.04 1.22 0.90 3h1zA1 TRP 841 H -0.02 0.75 -0.03 -0.55 7.97 8.12 3h1zA1 TRP 841 HA -0.19 -0.02 0.34 -0.75 4.62 4.00 3h1zA1 TRP 841 HB2 -0.43 0.00 0.05 -0.04 3.23 2.80 3h1zA1 TRP 841 HB3 -0.10 0.05 0.10 -0.04 3.23 3.23 3h1zA1 TRP 841 HD1 -0.00 0.02 -0.27 -0.04 7.22 6.93 3h1zA1 TRP 841 HE1 0.05 -0.02 -0.11 -0.04 10.20 10.08 3h1zA1 TRP 841 HE3 -0.30 -0.01 -0.09 -0.04 7.59 7.14 3h1zA1 TRP 841 HZ2 0.08 -0.01 -0.12 -0.04 7.44 7.34 3h1zA1 TRP 841 HZ3 0.12 -0.03 -0.53 -0.04 7.13 6.64 3h1zA1 TRP 841 HH2 0.10 0.03 -0.21 -0.04 7.19 7.07 3h1zA1 LYS 842 H 0.17 0.46 -0.14 -0.55 8.42 8.35 3h1zA1 LYS 842 HA 0.09 -0.00 0.37 -0.75 4.32 4.02 3h1zA1 LYS 842 HB2 0.05 0.09 0.11 -0.04 1.87 2.08 3h1zA1 LYS 842 HB3 0.04 -0.07 -0.00 -0.04 1.79 1.72 3h1zA1 LYS 842 HG2 0.13 -0.06 0.02 -0.04 1.46 1.51 3h1zA1 LYS 842 HG3 0.16 0.10 0.08 -0.04 1.46 1.76 3h1zA1 LYS 842 HD2 0.04 -0.00 -0.07 -0.04 1.69 1.62 3h1zA1 LYS 842 HD3 0.04 -0.04 -0.02 -0.04 1.68 1.62 3h1zA1 LYS 842 HE2 0.04 -0.03 -0.03 -0.04 2.99 2.94 3h1zA1 LYS 842 HE3 0.06 0.01 -0.03 -0.04 2.99 2.99 3h1zA1 ASP 843 H -0.03 0.37 -0.35 -0.55 8.40 7.84 3h1zA1 ASP 843 HA -0.04 -0.00 0.41 -0.75 4.63 4.25 3h1zA1 ASP 843 HB2 -0.03 0.01 0.08 -0.04 2.71 2.72 3h1zA1 ASP 843 HB3 -0.06 0.04 0.09 -0.04 2.70 2.73 3h1zA1 ILE 844 H -0.16 0.44 -0.22 -0.55 8.25 7.76 3h1zA1 ILE 844 HA -0.10 0.01 0.52 -0.75 4.18 3.86 3h1zA1 ILE 844 HB -0.33 0.08 0.04 -0.04 1.89 1.63 3h1zA1 ILE 844 HG12 -0.09 -0.10 -0.07 -0.04 1.49 1.20 3h1zA1 ILE 844 HG13 -0.13 0.20 -0.00 -0.04 1.21 1.23 3h1zA1 ILE 844 HG23 -0.15 -0.03 -0.23 -0.04 0.93 0.48 3h1zA1 ILE 844 HD13 -0.15 -0.06 -0.25 -0.04 0.88 0.38 3h1zA1 PRO 845 HA -0.07 0.08 0.44 -0.51 4.44 4.38 3h1zA1 PRO 845 HB2 -0.06 -0.12 0.07 -0.04 2.28 2.13 3h1zA1 PRO 845 HB3 -0.04 0.02 0.14 -0.04 2.02 2.09 3h1zA1 PRO 845 HG2 -0.04 0.01 0.13 -0.04 2.03 2.09 3h1zA1 PRO 845 HG3 -0.04 0.07 0.15 -0.04 2.03 2.17 3h1zA1 PRO 845 HD2 -0.07 0.01 0.23 -0.04 3.68 3.81 3h1zA1 PRO 845 HD3 -0.06 0.31 0.34 -0.04 3.65 4.20 3h1zA1 ASN 846 H -0.06 0.15 0.20 -0.55 8.53 8.27 3h1zA1 ASN 846 HA -0.13 0.16 0.36 -0.75 4.76 4.39 3h1zA1 ASN 846 HB2 -0.03 -0.04 0.13 -0.04 2.88 2.89 3h1zA1 ASN 846 HB3 -0.04 0.01 0.11 -0.04 2.79 2.83 3h1zA1 ASN 846 HD21 -0.03 0.10 0.04 -0.04 7.03 7.10 3h1zA1 ASN 846 HD22 -0.04 -0.11 0.14 -0.04 7.74 7.69 3h1zA1 GLU 847 H -0.05 0.04 -0.25 -0.55 8.60 7.79 3h1zA1 GLU 847 HA -0.04 0.14 0.60 -0.75 4.29 4.23 3h1zA1 GLU 847 HB2 -0.03 0.04 -0.05 -0.04 2.09 2.00 3h1zA1 GLU 847 HB3 -0.03 0.01 0.11 -0.04 1.99 2.04 3h1zA1 GLU 847 HG2 -0.03 0.02 0.03 -0.04 2.34 2.32 3h1zA1 GLU 847 HG3 -0.04 -0.14 0.06 -0.04 2.34 2.18 3h1zA1 ASN 848 H -0.08 0.46 -0.34 -0.55 8.53 8.03 3h1zA1 ASN 848 HA -0.04 0.04 0.62 -0.75 4.76 4.62 3h1zA1 ASN 848 HB2 -0.11 0.21 0.04 -0.04 2.88 2.98 3h1zA1 ASN 848 HB3 -0.07 0.00 0.13 -0.04 2.79 2.82 3h1zA1 ASN 848 HD21 -0.03 -0.01 0.11 -0.04 7.03 7.06 3h1zA1 ASN 848 HD22 -0.05 0.03 0.07 -0.04 7.74 7.75 3h1zA1 GLU 849 H -0.10 0.31 -0.38 -0.55 8.60 7.88 3h1zA1 GLU 849 HA -0.13 0.21 0.58 -0.75 4.29 4.20 3h1zA1 GLU 849 HB2 -0.22 -0.03 0.05 -0.04 2.09 1.85 3h1zA1 GLU 849 HB3 -0.08 0.09 0.15 -0.04 1.99 2.12 3h1zA1 GLU 849 HG2 -0.01 -0.03 -0.34 -0.04 2.34 1.92 3h1zA1 GLU 849 HG3 -0.08 -0.00 -0.19 -0.04 2.34 2.02 3h1zA1 LEU 850 H -0.01 0.57 0.45 -0.55 8.37 8.84 3h1zA1 LEU 850 HA -0.15 0.18 0.99 -0.75 4.35 4.62 3h1zA1 LEU 850 HB2 0.07 -0.08 0.11 -0.04 1.64 1.70 3h1zA1 LEU 850 HB3 -0.38 -0.02 0.01 -0.04 1.64 1.21 3h1zA1 LEU 850 HG -0.02 0.22 -0.23 -0.04 1.64 1.57 3h1zA1 LEU 850 HD13 0.09 -0.05 0.01 -0.04 0.93 0.94 3h1zA1 LEU 850 HD23 -0.09 0.02 -0.03 -0.04 0.89 0.75 3h1zA1 GLN 851 H -0.35 0.19 0.20 -0.55 8.47 7.98 3h1zA1 GLN 851 HA -0.07 0.32 1.03 -0.75 4.36 4.88 3h1zA1 GLN 851 HB2 -0.11 -0.01 0.05 -0.04 2.15 2.03 3h1zA1 GLN 851 HB3 -0.13 -0.02 -0.03 -0.04 2.02 1.80 3h1zA1 GLN 851 HG2 0.00 0.00 -0.10 -0.04 2.40 2.26 3h1zA1 GLN 851 HG3 0.03 -0.01 -0.08 -0.04 2.39 2.28 3h1zA1 GLN 851 HE21 -0.00 -0.01 -0.05 -0.04 6.97 6.86 3h1zA1 GLN 851 HE22 -0.04 -0.01 -0.06 -0.04 7.69 7.54 3h1zA1 PHE 852 H 0.09 0.78 0.43 -0.55 8.34 9.09 3h1zA1 PHE 852 HA -0.23 0.13 0.85 -0.75 4.62 4.62 3h1zA1 PHE 852 HB2 -0.14 -0.04 0.00 -0.04 3.15 2.94 3h1zA1 PHE 852 HB3 -0.87 0.03 0.00 -0.04 3.06 2.19 3h1zA1 PHE 852 HD2 -0.38 0.08 -0.07 -0.04 7.28 6.87 3h1zA1 PHE 852 HE2 -0.07 -0.00 -0.12 -0.04 7.38 7.15 3h1zA1 PHE 852 HZ -0.02 -0.08 -0.23 -0.04 7.32 6.95 3h1zA1 GLN 853 H -0.05 0.18 0.15 -0.55 8.47 8.20 3h1zA1 GLN 853 HA 0.08 0.34 0.98 -0.75 4.36 5.00 3h1zA1 GLN 853 HB2 0.01 -0.04 0.15 -0.04 2.15 2.22 3h1zA1 GLN 853 HB3 0.03 0.01 -0.08 -0.04 2.02 1.94 3h1zA1 GLN 853 HG2 -0.02 -0.05 -0.11 -0.04 2.40 2.18 3h1zA1 GLN 853 HG3 -0.00 -0.01 -0.04 -0.04 2.39 2.31 3h1zA1 GLN 853 HE21 0.03 -0.01 -0.11 -0.04 6.97 6.84 3h1zA1 GLN 853 HE22 0.01 -0.05 -0.21 -0.04 7.69 7.40 3h1zA1 ILE 854 H 0.15 0.53 0.12 -0.55 8.25 8.51 3h1zA1 ILE 854 HA 0.24 0.09 0.77 -0.75 4.18 4.53 3h1zA1 ILE 854 HB 0.05 -0.09 0.18 -0.04 1.89 1.99 3h1zA1 ILE 854 HG12 0.22 -0.00 -0.10 -0.04 1.49 1.57 3h1zA1 ILE 854 HG13 0.23 -0.01 -0.10 -0.04 1.21 1.29 3h1zA1 ILE 854 HG23 0.02 0.03 -0.10 -0.04 0.93 0.83 3h1zA1 ILE 854 HD13 0.25 0.00 -0.14 -0.04 0.88 0.96 3h1zA1 LYS 855 H 0.07 0.17 0.02 -0.55 8.42 8.13 3h1zA1 LYS 855 HA -0.03 -0.00 0.31 -0.75 4.32 3.84 3h1zA1 LYS 855 HB2 0.03 0.02 0.06 -0.04 1.87 1.94 3h1zA1 LYS 855 HB3 0.01 0.00 0.01 -0.04 1.79 1.77 3h1zA1 LYS 855 HG2 0.02 -0.03 -0.06 -0.04 1.46 1.35 3h1zA1 LYS 855 HG3 0.06 0.10 -0.08 -0.04 1.46 1.50 3h1zA1 LYS 855 HD2 0.05 0.01 0.03 -0.04 1.69 1.74 3h1zA1 LYS 855 HD3 0.03 0.01 -0.00 -0.04 1.68 1.67 3h1zA1 LYS 855 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 3h1zA1 LYS 855 HE3 0.01 -0.01 0.02 -0.04 2.99 2.97 3h1zA1 GLU 856 H -0.07 0.05 0.06 -0.55 8.60 8.08 3h1zA1 GLU 856 HA -0.06 -0.02 0.36 -0.75 4.29 3.82 3h1zA1 GLU 856 HB2 0.02 -0.10 -0.15 -0.04 2.09 1.81 3h1zA1 GLU 856 HB3 0.02 0.11 0.02 -0.04 1.99 2.09 3h1zA1 GLU 856 HG2 0.06 -0.03 0.02 -0.04 2.34 2.35 3h1zA1 GLU 856 HG3 0.16 0.02 0.07 -0.04 2.34 2.55 3h1zA1 CYS 857 H -0.40 0.77 0.15 -0.55 8.50 8.48 3h1zA1 CYS 857 HA -0.13 0.17 0.91 -0.75 4.58 4.77 3h1zA1 CYS 857 HB2 -0.43 0.07 -0.15 -0.04 2.97 2.41 3h1zA1 CYS 857 HB3 -1.40 -0.04 0.02 -0.04 2.97 1.51 3h1zA1 HIS 858 H 0.05 0.21 0.10 -0.55 8.41 8.22 3h1zA1 HIS 858 HA 0.04 0.21 0.79 -0.75 4.63 4.92 3h1zA1 HIS 858 HB2 -0.00 0.04 0.06 -0.04 3.26 3.32 3h1zA1 HIS 858 HB3 0.02 -0.04 0.15 -0.04 3.20 3.29 3h1zA1 HIS 858 HD2 -0.04 0.23 -0.31 -0.04 6.97 6.81 3h1zA1 HIS 858 HE1 0.00 -0.02 -0.08 -0.04 7.75 7.61 3h1zA1 LEU 859 H 0.14 0.14 -0.15 -0.55 8.37 7.95 3h1zA1 LEU 859 HA 0.09 0.14 0.75 -0.75 4.35 4.58 3h1zA1 LEU 859 HB2 0.18 -0.01 -0.03 -0.04 1.64 1.74 3h1zA1 LEU 859 HB3 0.09 -0.06 0.01 -0.04 1.64 1.64 3h1zA1 LEU 859 HG 0.06 -0.08 -0.03 -0.04 1.64 1.55 3h1zA1 LEU 859 HD13 0.05 0.07 -0.01 -0.04 0.93 0.99 3h1zA1 LEU 859 HD23 0.05 0.03 -0.06 -0.04 0.89 0.87 3h1zA1 ASN 860 H 0.06 0.09 0.14 -0.55 8.53 8.27 3h1zA1 ASN 860 HA 0.03 0.32 0.84 -0.75 4.76 5.18 3h1zA1 ASN 860 HB2 0.00 -0.10 0.17 -0.04 2.88 2.91 3h1zA1 ASN 860 HB3 0.03 0.14 0.06 -0.04 2.79 2.98 3h1zA1 ASN 860 HD21 0.02 0.05 0.03 -0.04 7.03 7.08 3h1zA1 ASN 860 HD22 0.02 0.09 0.03 -0.04 7.74 7.84 3h1zA1 ALA 861 H -0.04 0.20 0.14 -0.55 8.40 8.15 3h1zA1 ALA 861 HA -0.07 0.14 0.30 -0.75 4.34 3.95 3h1zA1 ALA 861 HB3 -0.07 0.04 0.07 -0.04 1.41 1.40 3h1zA1 ASP 862 H -0.01 0.09 -0.13 -0.55 8.40 7.80 3h1zA1 ASP 862 HA -0.01 0.11 0.37 -0.75 4.63 4.35 3h1zA1 ASP 862 HB2 0.00 -0.04 0.02 -0.04 2.71 2.65 3h1zA1 ASP 862 HB3 0.00 0.08 -0.08 -0.04 2.70 2.66 3h1zA1 THR 863 H 0.01 0.05 -0.29 -0.55 8.28 7.50 3h1zA1 THR 863 HA 0.01 0.11 0.53 -0.75 4.39 4.29 3h1zA1 THR 863 HB 0.03 0.02 0.08 -0.04 4.32 4.42 3h1zA1 THR 863 HG23 0.02 0.04 -0.03 -0.04 1.22 1.21 3h1zA1 VAL 864 H 0.02 0.56 -0.14 -0.55 8.24 8.12 3h1zA1 VAL 864 HA 0.03 0.07 0.34 -0.75 4.13 3.82 3h1zA1 VAL 864 HB -0.00 0.04 0.09 -0.04 2.12 2.21 3h1zA1 VAL 864 HG13 0.05 -0.01 -0.18 -0.04 0.97 0.80 3h1zA1 VAL 864 HG23 0.13 0.03 -0.16 -0.04 0.95 0.91 3h1zA1 SER 865 H -0.00 0.49 -0.22 -0.55 8.46 8.18 3h1zA1 SER 865 HA -0.01 0.02 0.21 -0.75 4.49 3.95 3h1zA1 SER 865 HB2 -0.00 0.06 0.14 -0.04 3.95 4.10 3h1zA1 SER 865 HB3 0.00 -0.03 0.00 -0.04 3.93 3.86 3h1zA1 SER 866 H -0.00 0.40 -0.25 -0.55 8.46 8.05 3h1zA1 SER 866 HA -0.00 0.01 0.40 -0.75 4.49 4.14 3h1zA1 SER 866 HB2 0.00 -0.05 0.10 -0.04 3.95 3.96 3h1zA1 SER 866 HB3 0.00 0.08 0.23 -0.04 3.93 4.20 3h1zA1 LYS 867 H -0.01 0.64 -0.08 -0.55 8.42 8.41 3h1zA1 LYS 867 HA -0.01 0.05 0.40 -0.75 4.32 4.01 3h1zA1 LYS 867 HB2 -0.03 0.05 0.11 -0.04 1.87 1.97 3h1zA1 LYS 867 HB3 -0.03 -0.00 -0.05 -0.04 1.79 1.66 3h1zA1 LYS 867 HG2 -0.00 -0.01 0.02 -0.04 1.46 1.42 3h1zA1 LYS 867 HG3 -0.00 0.00 0.06 -0.04 1.46 1.48 3h1zA1 LYS 867 HD2 0.01 -0.12 -0.12 -0.04 1.69 1.42 3h1zA1 LYS 867 HD3 -0.02 0.05 -0.07 -0.04 1.68 1.60 3h1zA1 LYS 867 HE2 0.01 -0.12 -0.02 -0.04 2.99 2.81 3h1zA1 LYS 867 HE3 0.01 -0.00 -0.03 -0.04 2.99 2.92 3h1zA1 LEU 868 H -0.06 0.52 -0.17 -0.55 8.37 8.12 3h1zA1 LEU 868 HA -0.13 -0.02 0.28 -0.75 4.35 3.73 3h1zA1 LEU 868 HB2 -0.10 0.09 0.08 -0.04 1.64 1.67 3h1zA1 LEU 868 HB3 -0.18 -0.00 -0.04 -0.04 1.64 1.38 3h1zA1 LEU 868 HG -0.17 0.05 -0.01 -0.04 1.64 1.47 3h1zA1 LEU 868 HD13 -0.12 -0.03 -0.17 -0.04 0.93 0.56 3h1zA1 LEU 868 HD23 -0.62 -0.02 -0.07 -0.04 0.89 0.14 3h1zA1 GLN 869 H -0.07 0.47 -0.17 -0.55 8.47 8.15 3h1zA1 GLN 869 HA -0.28 0.06 0.27 -0.75 4.36 3.66 3h1zA1 GLN 869 HB2 -0.03 0.09 0.18 -0.04 2.15 2.35 3h1zA1 GLN 869 HB3 -0.03 0.05 0.08 -0.04 2.02 2.08 3h1zA1 GLN 869 HG2 0.03 -0.00 -0.04 -0.04 2.40 2.34 3h1zA1 GLN 869 HG3 -0.23 -0.05 0.02 -0.04 2.39 2.08 3h1zA1 GLN 869 HE21 0.11 -0.02 0.00 -0.04 6.97 7.02 3h1zA1 GLN 869 HE22 0.10 0.02 -0.01 -0.04 7.69 7.75 3h1zA1 ASN 870 H -0.05 0.46 -0.30 -0.55 8.53 8.10 3h1zA1 ASN 870 HA -0.02 -0.01 0.42 -0.75 4.76 4.40 3h1zA1 ASN 870 HB2 -0.01 0.22 0.14 -0.04 2.88 3.19 3h1zA1 ASN 870 HB3 0.00 0.12 -0.02 -0.04 2.79 2.85 3h1zA1 ASN 870 HD21 0.00 -0.13 -0.04 -0.04 7.03 6.82 3h1zA1 ASN 870 HD22 0.00 -0.01 0.00 -0.04 7.74 7.70 3h1zA1 ASN 871 H -0.06 0.40 -0.59 -0.55 8.53 7.74 3h1zA1 ASN 871 HA 0.03 0.11 0.80 -0.75 4.76 4.95 3h1zA1 ASN 871 HB2 -0.00 0.12 0.11 -0.04 2.88 3.07 3h1zA1 ASN 871 HB3 0.06 -0.09 0.18 -0.04 2.79 2.90 3h1zA1 ASN 871 HD21 0.04 -0.04 -0.03 -0.04 7.03 6.96 3h1zA1 ASN 871 HD22 -0.02 0.52 0.03 -0.04 7.74 8.23 3h1zA1 ASN 872 H -0.15 0.46 -0.30 -0.55 8.53 8.00 3h1zA1 ASN 872 HA -0.58 0.01 0.24 -0.75 4.76 3.68 3h1zA1 ASN 872 HB2 0.21 0.16 -0.08 -0.04 2.88 3.13 3h1zA1 ASN 872 HB3 0.17 0.07 0.05 -0.04 2.79 3.03 3h1zA1 ASN 872 HD21 0.04 -0.14 -0.15 -0.04 7.03 6.73 3h1zA1 ASN 872 HD22 0.30 0.24 -0.23 -0.04 7.74 8.01 3h1zA1 VAL 873 H -0.22 0.50 -0.29 -0.55 8.24 7.69 3h1zA1 VAL 873 HA -0.08 0.20 0.80 -0.75 4.13 4.30 3h1zA1 VAL 873 HB -0.16 -0.01 0.00 -0.04 2.12 1.91 3h1zA1 VAL 873 HG13 -0.08 -0.03 -0.27 -0.04 0.97 0.55 3h1zA1 VAL 873 HG23 -0.05 0.02 -0.18 -0.04 0.95 0.70 3h1zA1 TYR 874 H 0.20 0.72 0.20 -0.55 8.29 8.86 3h1zA1 TYR 874 HA 0.05 0.09 0.45 -0.75 4.56 4.40 3h1zA1 TYR 874 HB2 0.12 0.02 0.10 -0.04 3.06 3.26 3h1zA1 TYR 874 HB3 0.07 0.01 -0.10 -0.04 2.98 2.92 3h1zA1 TYR 874 HD2 0.08 0.14 -0.18 -0.04 7.15 7.15 3h1zA1 TYR 874 HE2 0.06 0.03 -0.03 -0.04 6.85 6.88 3h1zA1 THR 875 H 0.11 0.19 0.17 -0.55 8.28 8.20 3h1zA1 THR 875 HA 0.06 0.20 0.93 -0.75 4.39 4.83 3h1zA1 THR 875 HB 0.04 -0.01 0.16 -0.04 4.32 4.46 3h1zA1 THR 875 HG23 0.00 -0.03 -0.09 -0.04 1.22 1.06 3h1zA1 ILE 876 H -0.02 0.77 0.47 -0.55 8.25 8.91 3h1zA1 ILE 876 HA -0.01 0.07 0.40 -0.75 4.18 3.88 3h1zA1 ILE 876 HB -0.36 0.04 -0.03 -0.04 1.89 1.50 3h1zA1 ILE 876 HG12 0.09 0.02 -0.03 -0.04 1.49 1.52 3h1zA1 ILE 876 HG13 0.07 0.03 -0.05 -0.04 1.21 1.22 3h1zA1 ILE 876 HG23 -0.21 -0.03 -0.13 -0.04 0.93 0.52 3h1zA1 ILE 876 HD13 0.10 -0.05 -0.24 -0.04 0.88 0.64 3h1zA1 ALA 877 H -0.05 0.33 0.27 -0.55 8.40 8.40 3h1zA1 ALA 877 HA -0.04 0.12 0.57 -0.75 4.34 4.23 3h1zA1 ALA 877 HB3 -0.15 0.02 -0.03 -0.04 1.41 1.20 3h1zA1 LYS 878 H 0.00 0.27 0.21 -0.55 8.42 8.35 3h1zA1 LYS 878 HA 0.03 0.34 1.07 -0.75 4.32 5.00 3h1zA1 LYS 878 HB2 -0.01 -0.00 -0.14 -0.04 1.87 1.68 3h1zA1 LYS 878 HB3 -0.00 -0.02 0.04 -0.04 1.79 1.77 3h1zA1 LYS 878 HG2 -0.01 -0.02 -0.24 -0.04 1.46 1.15 3h1zA1 LYS 878 HG3 -0.03 0.06 0.01 -0.04 1.46 1.45 3h1zA1 LYS 878 HD2 -0.02 0.01 -0.08 -0.04 1.69 1.56 3h1zA1 LYS 878 HD3 -0.01 -0.01 -0.09 -0.04 1.68 1.53 3h1zA1 LYS 878 HE2 -0.03 0.00 -0.11 -0.04 2.99 2.81 3h1zA1 LYS 878 HE3 -0.04 -0.02 -0.10 -0.04 2.99 2.80 3h1zA1 ARG 879 H 0.02 0.67 0.39 -0.55 8.46 8.99 3h1zA1 ARG 879 HA 0.01 0.10 0.67 -0.75 4.34 4.36 3h1zA1 ARG 879 HB2 0.05 0.02 -0.13 -0.04 1.90 1.80 3h1zA1 ARG 879 HB3 0.08 -0.01 0.01 -0.04 1.80 1.84 3h1zA1 ARG 879 HG2 0.01 0.07 -0.19 -0.04 1.67 1.51 3h1zA1 ARG 879 HG3 0.00 0.01 0.08 -0.04 1.67 1.72 3h1zA1 ARG 879 HD2 0.03 -0.01 -0.10 -0.04 3.22 3.09 3h1zA1 ARG 879 HD3 0.00 0.01 -0.07 -0.04 3.22 3.12 3h1zA1 ASN 880 H -0.01 0.19 0.13 -0.55 8.53 8.30 3h1zA1 ASN 880 HA -0.02 0.29 0.93 -0.75 4.76 5.20 3h1zA1 ASN 880 HB2 -0.02 -0.00 -0.00 -0.04 2.88 2.81 3h1zA1 ASN 880 HB3 -0.01 -0.01 0.11 -0.04 2.79 2.84 3h1zA1 ASN 880 HD21 -0.02 0.07 -0.30 -0.04 7.03 6.73 3h1zA1 ASN 880 HD22 -0.02 -0.01 -0.16 -0.04 7.74 7.50 3h1zA1 VAL 881 H -0.02 0.96 0.16 -0.55 8.24 8.79 3h1zA1 VAL 881 HA -0.00 0.13 0.96 -0.75 4.13 4.46 3h1zA1 VAL 881 HB -0.00 0.07 0.10 -0.04 2.12 2.25 3h1zA1 VAL 881 HG13 0.00 0.00 -0.11 -0.04 0.97 0.83 3h1zA1 VAL 881 HG23 0.01 -0.00 -0.20 -0.04 0.95 0.71 3h1zA1 GLU 882 H -0.00 0.19 0.10 -0.55 8.60 8.34 3h1zA1 GLU 882 HA -0.00 0.04 0.34 -0.75 4.29 3.91 3h1zA1 GLU 882 HB2 -0.00 0.16 -0.18 -0.04 2.09 2.02 3h1zA1 GLU 882 HB3 -0.00 0.04 0.22 -0.04 1.99 2.20 3h1zA1 GLU 882 HG2 0.00 -0.05 -0.05 -0.04 2.34 2.20 3h1zA1 GLU 882 HG3 0.00 0.04 -0.02 -0.04 2.34 2.32 3h1zA1 GLY 883 H -0.01 0.05 -0.20 -0.55 8.43 7.72 3h1zA1 GLY 883 HA2 -0.01 -0.03 0.23 -0.51 4.01 3.69 3h1zA1 GLY 883 HA3 -0.01 0.09 0.38 -0.51 4.01 3.97 3h1zA1 GLN 884 H -0.01 0.38 -0.84 -0.55 8.47 7.46 3h1zA1 GLN 884 HA -0.04 0.25 1.07 -0.75 4.36 4.89 3h1zA1 GLN 884 HB2 -0.02 0.09 0.13 -0.04 2.15 2.30 3h1zA1 GLN 884 HB3 -0.04 -0.01 -0.11 -0.04 2.02 1.82 3h1zA1 GLN 884 HG2 -0.01 -0.04 -0.01 -0.04 2.40 2.30 3h1zA1 GLN 884 HG3 -0.01 0.18 0.01 -0.04 2.39 2.53 3h1zA1 GLN 884 HE21 0.00 -0.04 -0.01 -0.04 6.97 6.88 3h1zA1 GLN 884 HE22 0.00 0.04 0.02 -0.04 7.69 7.71 3h1zA1 ASP 885 H -0.07 0.51 0.32 -0.55 8.40 8.60 3h1zA1 ASP 885 HA -0.05 0.10 0.74 -0.75 4.63 4.67 3h1zA1 ASP 885 HB2 -0.11 0.03 0.24 -0.04 2.71 2.83 3h1zA1 ASP 885 HB3 -0.09 -0.00 0.01 -0.04 2.70 2.58 3h1zA1 MET 886 H -0.07 0.80 0.48 -0.55 8.47 9.14 3h1zA1 MET 886 HA -0.20 0.29 1.03 -0.75 4.52 4.88 3h1zA1 MET 886 HB2 -0.03 -0.12 0.16 -0.04 2.15 2.12 3h1zA1 MET 886 HB3 -0.27 0.01 0.00 -0.04 2.03 1.73 3h1zA1 MET 886 HG2 -0.03 0.09 -0.07 -0.04 2.63 2.57 3h1zA1 MET 886 HG3 0.01 -0.05 -0.07 -0.04 2.56 2.41 3h1zA1 MET 886 HE3 -0.07 -0.00 -0.10 -0.04 2.10 1.89 3h1zA1 LEU 887 H -0.29 0.69 0.34 -0.55 8.37 8.56 3h1zA1 LEU 887 HA -0.15 0.22 1.08 -0.75 4.35 4.75 3h1zA1 LEU 887 HB2 -0.09 -0.05 0.10 -0.04 1.64 1.57 3h1zA1 LEU 887 HB3 -0.06 0.03 0.02 -0.04 1.64 1.60 3h1zA1 LEU 887 HG -0.11 -0.02 -0.18 -0.04 1.64 1.28 3h1zA1 LEU 887 HD13 -0.04 -0.01 -0.06 -0.04 0.93 0.78 3h1zA1 LEU 887 HD23 -0.05 -0.00 -0.07 -0.04 0.89 0.73 3h1zA1 TYR 888 H -0.03 0.65 0.39 -0.55 8.29 8.74 3h1zA1 TYR 888 HA -0.07 0.37 1.09 -0.75 4.56 5.20 3h1zA1 TYR 888 HB2 -0.45 -0.12 0.16 -0.04 3.06 2.62 3h1zA1 TYR 888 HB3 -0.85 0.04 0.07 -0.04 2.98 2.21 3h1zA1 TYR 888 HD2 -0.23 0.06 -0.14 -0.04 7.15 6.80 3h1zA1 TYR 888 HE2 -0.24 -0.00 -0.14 -0.04 6.85 6.43 3h1zA1 GLN 889 H 0.27 0.66 0.42 -0.55 8.47 9.28 3h1zA1 GLN 889 HA 0.15 0.31 1.24 -0.75 4.36 5.31 3h1zA1 GLN 889 HB2 0.26 -0.08 -0.10 -0.04 2.15 2.19 3h1zA1 GLN 889 HB3 0.20 0.07 -0.16 -0.04 2.02 2.09 3h1zA1 GLN 889 HG2 0.08 0.04 -0.34 -0.04 2.40 2.14 3h1zA1 GLN 889 HG3 0.06 -0.17 -0.77 -0.04 2.39 1.48 3h1zA1 GLN 889 HE21 0.08 -0.00 -0.21 -0.04 6.97 6.79 3h1zA1 GLN 889 HE22 0.04 -0.03 -0.20 -0.04 7.69 7.46 3h1zA1 SER 890 H 0.29 0.58 0.42 -0.55 8.46 9.20 3h1zA1 SER 890 HA 0.40 0.27 1.09 -0.75 4.49 5.49 3h1zA1 SER 890 HB2 0.52 0.04 0.15 -0.04 3.95 4.62 3h1zA1 SER 890 HB3 0.50 -0.06 -0.04 -0.04 3.93 4.29 3h1zA1 LEU 891 H 0.33 0.54 0.45 -0.55 8.37 9.15 3h1zA1 LEU 891 HA 0.14 0.23 0.59 -0.75 4.35 4.56 3h1zA1 LEU 891 HB2 -0.47 0.04 0.14 -0.04 1.64 1.31 3h1zA1 LEU 891 HB3 -0.15 0.14 0.27 -0.04 1.64 1.85 3h1zA1 LEU 891 HG -0.64 0.02 -0.12 -0.04 1.64 0.86 3h1zA1 LEU 891 HD13 0.09 0.04 -0.20 -0.04 0.93 0.82 3h1zA1 LEU 891 HD23 -0.58 -0.03 -0.21 -0.04 0.89 0.02 3h1zA1 LYS 892 H -0.21 0.34 0.27 -0.55 8.42 8.26 3h1zA1 LYS 892 HA -0.52 0.27 1.13 -0.75 4.32 4.45 3h1zA1 LYS 892 HB2 -2.20 -0.04 -0.12 -0.04 1.87 -0.53 3h1zA1 LYS 892 HB3 -0.66 -0.03 0.00 -0.04 1.79 1.07 3h1zA1 LYS 892 HG2 -0.54 0.16 -0.16 -0.04 1.46 0.87 3h1zA1 LYS 892 HG3 -1.38 0.01 -0.30 -0.04 1.46 -0.24 3h1zA1 LYS 892 HD2 -1.18 -0.03 -0.06 -0.04 1.69 0.38 3h1zA1 LYS 892 HD3 -0.45 -0.01 -0.09 -0.04 1.68 1.09 3h1zA1 LYS 892 HE2 -0.27 -0.06 -0.03 -0.04 2.99 2.59 3h1zA1 LYS 892 HE3 -0.24 0.03 -0.03 -0.04 2.99 2.71 3h1zA1 LEU 893 H -0.22 0.59 0.24 -0.55 8.37 8.44 3h1zA1 LEU 893 HA -0.03 0.44 0.90 -0.75 4.35 4.91 3h1zA1 LEU 893 HB2 0.01 -0.20 0.08 -0.04 1.64 1.49 3h1zA1 LEU 893 HB3 -0.06 -0.02 0.16 -0.04 1.64 1.68 3h1zA1 LEU 893 HG -0.02 0.11 -0.01 -0.04 1.64 1.67 3h1zA1 LEU 893 HD13 0.12 -0.02 -0.05 -0.04 0.93 0.94 3h1zA1 LEU 893 HD23 0.09 0.01 -0.22 -0.04 0.89 0.73 3h1zA1 THR 894 H -0.09 0.33 0.27 -0.55 8.28 8.24 3h1zA1 THR 894 HA -0.06 0.07 0.36 -0.75 4.39 4.01 3h1zA1 THR 894 HB -0.02 0.02 0.08 -0.04 4.32 4.36 3h1zA1 THR 894 HG23 -0.11 0.05 0.03 -0.04 1.22 1.15 3h1zA1 ASN 895 H 0.07 -0.02 -0.28 -0.55 8.53 7.76 3h1zA1 ASN 895 HA 0.03 0.28 0.75 -0.75 4.76 5.06 3h1zA1 ASN 895 HB2 0.03 0.05 0.17 -0.04 2.88 3.09 3h1zA1 ASN 895 HB3 0.15 0.07 0.08 -0.04 2.79 3.05 3h1zA1 ASN 895 HD21 0.08 -0.06 -0.02 -0.04 7.03 6.98 3h1zA1 ASN 895 HD22 -0.08 0.14 0.03 -0.04 7.74 7.78 3h1zA1 GLY 896 H -0.07 0.47 -0.38 -0.55 8.43 7.91 3h1zA1 GLY 896 HA2 -0.13 0.06 0.23 -0.51 4.01 3.67 3h1zA1 GLY 896 HA3 -0.02 0.14 0.53 -0.51 4.01 4.15 3h1zA1 ILE 897 H -0.02 -0.02 -0.27 -0.55 8.25 7.39 3h1zA1 ILE 897 HA 0.04 0.10 0.48 -0.75 4.18 4.04 3h1zA1 ILE 897 HB 0.05 -0.09 0.07 -0.04 1.89 1.88 3h1zA1 ILE 897 HG12 0.05 0.02 -0.01 -0.04 1.49 1.50 3h1zA1 ILE 897 HG13 0.04 0.06 -0.09 -0.04 1.21 1.19 3h1zA1 ILE 897 HG23 0.08 -0.01 -0.18 -0.04 0.93 0.77 3h1zA1 ILE 897 HD13 0.07 -0.00 -0.01 -0.04 0.88 0.89 3h1zA1 TRP 898 H 0.24 0.13 0.26 -0.55 7.97 8.05 3h1zA1 TRP 898 HA 0.02 0.25 0.98 -0.75 4.62 5.12 3h1zA1 TRP 898 HB2 0.01 -0.06 0.18 -0.04 3.23 3.31 3h1zA1 TRP 898 HB3 0.01 0.02 -0.05 -0.04 3.23 3.17 3h1zA1 TRP 898 HD1 0.02 0.02 0.04 -0.04 7.22 7.25 3h1zA1 TRP 898 HE1 0.02 -0.00 -0.04 -0.04 10.20 10.14 3h1zA1 TRP 898 HE3 0.07 0.11 -0.00 -0.04 7.59 7.72 3h1zA1 TRP 898 HZ2 0.03 0.00 -0.11 -0.04 7.44 7.33 3h1zA1 TRP 898 HZ3 0.10 0.20 -0.27 -0.04 7.13 7.12 3h1zA1 TRP 898 HH2 0.04 -0.07 -0.46 -0.04 7.19 6.66 3h1zA1 ILE 899 H 0.24 0.74 0.39 -0.55 8.25 9.08 3h1zA1 ILE 899 HA 0.14 0.23 1.08 -0.75 4.18 4.87 3h1zA1 ILE 899 HB 0.05 -0.01 0.03 -0.04 1.89 1.92 3h1zA1 ILE 899 HG12 0.08 -0.05 -0.18 -0.04 1.49 1.30 3h1zA1 ILE 899 HG13 0.09 0.03 -0.22 -0.04 1.21 1.07 3h1zA1 ILE 899 HG23 0.11 -0.01 -0.24 -0.04 0.93 0.76 3h1zA1 ILE 899 HD13 0.01 -0.01 -0.27 -0.04 0.88 0.57 3h1zA1 LEU 900 H 0.13 0.64 0.37 -0.55 8.37 8.96 3h1zA1 LEU 900 HA 0.35 0.26 1.11 -0.75 4.35 5.32 3h1zA1 LEU 900 HB2 0.15 -0.00 0.13 -0.04 1.64 1.88 3h1zA1 LEU 900 HB3 0.28 0.02 0.07 -0.04 1.64 1.97 3h1zA1 LEU 900 HG -0.01 -0.01 -0.15 -0.04 1.64 1.42 3h1zA1 LEU 900 HD13 -0.53 -0.01 -0.08 -0.04 0.93 0.27 3h1zA1 LEU 900 HD23 0.01 0.02 -0.06 -0.04 0.89 0.83 3h1zA1 ALA 901 H 0.51 0.68 0.42 -0.55 8.40 9.47 3h1zA1 ALA 901 HA 0.41 0.37 1.12 -0.75 4.34 5.48 3h1zA1 ALA 901 HB3 0.21 -0.03 -0.14 -0.04 1.41 1.41 3h1zA1 GLU 902 H 0.30 0.66 0.37 -0.55 8.60 9.38 3h1zA1 GLU 902 HA -0.23 0.32 0.86 -0.75 4.29 4.49 3h1zA1 GLU 902 HB2 -0.24 -0.00 0.07 -0.04 2.09 1.88 3h1zA1 GLU 902 HB3 0.08 -0.04 0.19 -0.04 1.99 2.18 3h1zA1 GLU 902 HG2 -0.25 0.03 -0.26 -0.04 2.34 1.82 3h1zA1 GLU 902 HG3 -0.66 -0.01 -0.04 -0.04 2.34 1.59 3h1zA1 LEU 903 H -0.17 0.67 0.28 -0.55 8.37 8.60 3h1zA1 LEU 903 HA 0.01 0.32 1.11 -0.75 4.35 5.03 3h1zA1 LEU 903 HB2 0.10 -0.02 -0.07 -0.04 1.64 1.61 3h1zA1 LEU 903 HB3 -0.02 -0.07 0.11 -0.04 1.64 1.63 3h1zA1 LEU 903 HG -0.03 0.01 -0.33 -0.04 1.64 1.25 3h1zA1 LEU 903 HD13 0.17 0.03 -0.18 -0.04 0.93 0.91 3h1zA1 LEU 903 HD23 0.16 -0.01 -0.14 -0.04 0.89 0.85 3h1zA1 ARG 904 H -0.01 0.67 0.34 -0.55 8.46 8.91 3h1zA1 ARG 904 HA -0.11 0.34 1.07 -0.75 4.34 4.88 3h1zA1 ARG 904 HB2 -0.04 -0.02 -0.02 -0.04 1.90 1.78 3h1zA1 ARG 904 HB3 -0.01 -0.06 0.22 -0.04 1.80 1.92 3h1zA1 ARG 904 HG2 -0.05 0.06 -0.20 -0.04 1.67 1.44 3h1zA1 ARG 904 HG3 -0.03 -0.00 -0.08 -0.04 1.67 1.51 3h1zA1 ARG 904 HD2 0.01 -0.04 -0.09 -0.04 3.22 3.05 3h1zA1 ARG 904 HD3 -0.00 0.01 -0.09 -0.04 3.22 3.09 3h1zA1 ILE 905 H -0.15 0.76 0.32 -0.55 8.25 8.63 3h1zA1 ILE 905 HA -0.33 0.15 0.92 -0.75 4.18 4.16 3h1zA1 ILE 905 HB -0.26 -0.10 0.20 -0.04 1.89 1.69 3h1zA1 ILE 905 HG12 -1.68 0.09 -0.09 -0.04 1.49 -0.24 3h1zA1 ILE 905 HG13 -0.47 -0.05 -0.41 -0.04 1.21 0.24 3h1zA1 ILE 905 HG23 -0.37 0.00 -0.10 -0.04 0.93 0.43 3h1zA1 ILE 905 HD13 -0.28 -0.03 -0.13 -0.04 0.88 0.40 3h1zA1 GLN 906 H -0.00 0.26 0.16 -0.55 8.47 8.34 3h1zA1 GLN 906 HA -0.02 0.17 0.78 -0.75 4.36 4.54 3h1zA1 GLN 906 HB2 0.01 0.08 0.07 -0.04 2.15 2.27 3h1zA1 GLN 906 HB3 0.00 -0.03 -0.05 -0.04 2.02 1.89 3h1zA1 GLN 906 HG2 0.04 -0.01 0.01 -0.04 2.40 2.40 3h1zA1 GLN 906 HG3 0.03 -0.01 0.01 -0.04 2.39 2.38 3h1zA1 GLN 906 HE21 0.11 -0.02 0.30 -0.04 6.97 7.32 3h1zA1 GLN 906 HE22 0.04 -0.08 0.00 -0.04 7.69 7.61 3h1zA1 PRO 907 HA 0.01 -0.03 0.50 -0.51 4.44 4.41 3h1zA1 PRO 907 HB2 0.01 0.02 0.01 -0.04 2.28 2.28 3h1zA1 PRO 907 HB3 0.01 0.01 0.13 -0.04 2.02 2.12 3h1zA1 PRO 907 HG2 0.01 0.01 0.09 -0.04 2.03 2.09 3h1zA1 PRO 907 HG3 0.00 0.06 0.08 -0.04 2.03 2.13 3h1zA1 PRO 907 HD2 -0.00 0.05 0.19 -0.04 3.68 3.87 3h1zA1 PRO 907 HD3 -0.01 0.45 0.10 -0.04 3.65 4.15 3h1zA1 GLY 908 H 0.03 0.10 0.19 -0.55 8.43 8.20 3h1zA1 GLY 908 HA2 0.04 0.01 0.31 -0.51 4.01 3.86 3h1zA1 GLY 908 HA3 0.03 -0.01 0.31 -0.51 4.01 3.83 3h1zA1 ASN 909 H 0.04 0.36 -0.60 -0.55 8.53 7.78 3h1zA1 ASN 909 HA 0.02 0.14 0.83 -0.75 4.76 5.00 3h1zA1 ASN 909 HB2 0.03 0.13 -0.09 -0.04 2.88 2.91 3h1zA1 ASN 909 HB3 0.06 -0.03 0.05 -0.04 2.79 2.83 3h1zA1 ASN 909 HD21 0.02 -0.04 0.01 -0.04 7.03 6.98 3h1zA1 ASN 909 HD22 0.02 0.02 -0.01 -0.04 7.74 7.74 3h1zA1 PRO 910 HA -0.24 0.30 0.33 -0.51 4.44 4.32 3h1zA1 PRO 910 HB2 -0.11 -0.12 0.14 -0.04 2.28 2.14 3h1zA1 PRO 910 HB3 -0.10 0.07 0.02 -0.04 2.02 1.98 3h1zA1 PRO 910 HG2 -0.02 -0.04 0.01 -0.04 2.03 1.94 3h1zA1 PRO 910 HG3 0.01 0.06 0.08 -0.04 2.03 2.14 3h1zA1 PRO 910 HD2 0.00 0.05 0.18 -0.04 3.68 3.87 3h1zA1 PRO 910 HD3 0.01 0.24 0.29 -0.04 3.65 4.15 3h1zA1 ASN 911 H 0.01 0.13 -0.36 -0.55 8.53 7.76 3h1zA1 ASN 911 HA -0.11 0.31 1.01 -0.75 4.76 5.21 3h1zA1 ASN 911 HB2 0.02 -0.02 0.07 -0.04 2.88 2.92 3h1zA1 ASN 911 HB3 0.02 0.04 -0.11 -0.04 2.79 2.70 3h1zA1 ASN 911 HD21 0.00 0.00 -0.03 -0.04 7.03 6.96 3h1zA1 ASN 911 HD22 0.01 0.02 -0.05 -0.04 7.74 7.68 3h1zA1 TYR 912 H -0.14 0.51 0.24 -0.55 8.29 8.34 3h1zA1 TYR 912 HA 0.01 0.21 0.93 -0.75 4.56 4.95 3h1zA1 TYR 912 HB2 0.06 -0.09 0.07 -0.04 3.06 3.06 3h1zA1 TYR 912 HB3 0.03 0.03 -0.00 -0.04 2.98 3.00 3h1zA1 TYR 912 HD2 0.02 0.00 -0.25 -0.04 7.15 6.88 3h1zA1 TYR 912 HE2 -0.03 0.06 -0.08 -0.04 6.85 6.77 3h1zA1 THR 913 H 0.11 0.47 0.33 -0.55 8.28 8.64 3h1zA1 THR 913 HA 0.09 0.23 1.04 -0.75 4.39 5.00 3h1zA1 THR 913 HB 0.04 -0.05 0.18 -0.04 4.32 4.44 3h1zA1 THR 913 HG23 0.03 0.00 -0.14 -0.04 1.22 1.08 3h1zA1 LEU 914 H 0.12 0.84 0.36 -0.55 8.37 9.14 3h1zA1 LEU 914 HA 0.07 0.23 0.98 -0.75 4.35 4.87 3h1zA1 LEU 914 HB2 0.06 -0.03 -0.08 -0.04 1.64 1.55 3h1zA1 LEU 914 HB3 0.16 -0.04 0.12 -0.04 1.64 1.84 3h1zA1 LEU 914 HG -0.00 0.02 -0.34 -0.04 1.64 1.27 3h1zA1 LEU 914 HD13 -0.28 0.02 -0.15 -0.04 0.93 0.47 3h1zA1 LEU 914 HD23 -0.45 -0.02 -0.14 -0.04 0.89 0.24 3h1zA1 SER 915 H 0.13 0.80 0.38 -0.55 8.46 9.22 3h1zA1 SER 915 HA 0.14 0.23 1.04 -0.75 4.49 5.14 3h1zA1 SER 915 HB2 0.31 -0.07 0.19 -0.04 3.95 4.34 3h1zA1 SER 915 HB3 0.27 0.04 -0.03 -0.04 3.93 4.16 3h1zA1 LEU 916 H 0.17 0.79 0.36 -0.55 8.37 9.15 3h1zA1 LEU 916 HA 0.20 0.30 1.09 -0.75 4.35 5.18 3h1zA1 LEU 916 HB2 0.27 -0.00 0.11 -0.04 1.64 1.98 3h1zA1 LEU 916 HB3 0.12 -0.03 -0.04 -0.04 1.64 1.66 3h1zA1 LEU 916 HG 0.16 -0.01 -0.28 -0.04 1.64 1.46 3h1zA1 LEU 916 HD13 -0.06 -0.04 -0.11 -0.04 0.93 0.68 3h1zA1 LEU 916 HD23 -0.00 0.02 -0.19 -0.04 0.89 0.67 3h1zA1 LYS 917 H 0.02 0.68 0.33 -0.55 8.42 8.90 3h1zA1 LYS 917 HA -0.19 0.21 0.80 -0.75 4.32 4.40 3h1zA1 LYS 917 HB2 -0.90 -0.03 0.05 -0.04 1.87 0.95 3h1zA1 LYS 917 HB3 -0.51 0.02 -0.07 -0.04 1.79 1.19 3h1zA1 LYS 917 HG2 -0.46 0.03 -0.09 -0.04 1.46 0.90 3h1zA1 LYS 917 HG3 -0.84 -0.06 -0.25 -0.04 1.46 0.27 3h1zA1 LYS 917 HD2 -2.53 -0.09 -0.09 -0.04 1.69 -1.05 3h1zA1 LYS 917 HD3 -1.16 0.03 -0.01 -0.04 1.68 0.50 3h1zA1 LYS 917 HE2 -0.41 0.06 -0.29 -0.04 2.99 2.30 3h1zA1 LYS 917 HE3 -0.43 -0.13 -0.10 -0.04 2.99 2.29 3h1zA1 CYS 918 H -0.07 0.44 0.08 -0.55 8.50 8.40 3h1zA1 CYS 918 HA 0.02 0.23 0.78 -0.75 4.58 4.86 3h1zA1 CYS 918 HB2 0.06 0.03 -0.22 -0.04 2.97 2.80 3h1zA1 CYS 918 HB3 0.05 -0.03 -0.21 -0.04 2.97 2.74 3h1zA1 ARG 919 H 0.03 0.22 0.16 -0.55 8.46 8.32 3h1zA1 ARG 919 HA -0.02 0.14 0.58 -0.75 4.34 4.29 3h1zA1 ARG 919 HB2 0.04 -0.03 0.15 -0.04 1.90 2.01 3h1zA1 ARG 919 HB3 0.01 0.03 0.10 -0.04 1.80 1.90 3h1zA1 ARG 919 HG2 -0.02 0.05 0.09 -0.04 1.67 1.75 3h1zA1 ARG 919 HG3 -0.01 -0.01 0.07 -0.04 1.67 1.68 3h1zA1 ARG 919 HD2 0.01 0.02 0.02 -0.04 3.22 3.24 3h1zA1 ARG 919 HD3 0.04 -0.02 0.05 -0.04 3.22 3.24 3h1zA1 ALA 920 H 0.04 0.05 -0.28 -0.55 8.40 7.67 3h1zA1 ALA 920 HA 0.02 0.25 0.83 -0.75 4.34 4.69 3h1zA1 ALA 920 HB3 0.04 0.01 0.10 -0.04 1.41 1.51 3h1zA1 PRO 921 HA 0.06 0.03 0.33 -0.51 4.44 4.35 3h1zA1 PRO 921 HB2 0.03 0.01 0.00 -0.04 2.28 2.28 3h1zA1 PRO 921 HB3 0.01 0.26 0.20 -0.04 2.02 2.44 3h1zA1 PRO 921 HG2 0.02 -0.05 0.02 -0.04 2.03 1.99 3h1zA1 PRO 921 HG3 -0.00 0.09 0.06 -0.04 2.03 2.14 3h1zA1 PRO 921 HD2 0.01 0.14 0.09 -0.04 3.68 3.89 3h1zA1 PRO 921 HD3 0.00 0.31 -0.19 -0.04 3.65 3.73 3h1zA1 GLU 922 H 0.06 0.14 -0.38 -0.55 8.60 7.88 3h1zA1 GLU 922 HA 0.11 0.10 0.55 -0.75 4.29 4.30 3h1zA1 GLU 922 HB2 0.11 -0.00 0.08 -0.04 2.09 2.24 3h1zA1 GLU 922 HB3 0.06 0.05 0.08 -0.04 1.99 2.14 3h1zA1 GLU 922 HG2 0.06 0.01 -0.13 -0.04 2.34 2.25 3h1zA1 GLU 922 HG3 0.03 0.03 -0.03 -0.04 2.34 2.32 3h1zA1 VAL 923 H 0.12 0.55 -0.19 -0.55 8.24 8.18 3h1zA1 VAL 923 HA 0.29 0.07 0.53 -0.75 4.13 4.27 3h1zA1 VAL 923 HB 0.13 0.13 0.00 -0.04 2.12 2.34 3h1zA1 VAL 923 HG13 0.18 -0.02 -0.09 -0.04 0.97 0.99 3h1zA1 VAL 923 HG23 0.11 -0.00 0.00 -0.04 0.95 1.02 3h1zA1 SER 924 H 0.16 0.37 -0.32 -0.55 8.46 8.12 3h1zA1 SER 924 HA 0.11 0.02 0.23 -0.75 4.49 4.09 3h1zA1 SER 924 HB2 0.22 0.22 0.14 -0.04 3.95 4.49 3h1zA1 SER 924 HB3 0.29 0.01 -0.02 -0.04 3.93 4.16 3h1zA1 GLN 925 H 0.17 0.27 -0.19 -0.55 8.47 8.18 3h1zA1 GLN 925 HA -0.14 0.06 0.40 -0.75 4.36 3.93 3h1zA1 GLN 925 HB2 0.13 0.06 0.08 -0.04 2.15 2.39 3h1zA1 GLN 925 HB3 -0.03 0.09 0.06 -0.04 2.02 2.09 3h1zA1 GLN 925 HG2 -0.24 -0.05 -0.22 -0.04 2.40 1.85 3h1zA1 GLN 925 HG3 -0.00 0.03 0.01 -0.04 2.39 2.38 3h1zA1 GLN 925 HE21 -0.05 -0.01 0.02 -0.04 6.97 6.90 3h1zA1 GLN 925 HE22 -0.01 0.03 0.03 -0.04 7.69 7.70 3h1zA1 TYR 926 H 0.19 0.28 -0.33 -0.55 8.29 7.88 3h1zA1 TYR 926 HA 0.03 0.02 0.47 -0.75 4.56 4.32 3h1zA1 TYR 926 HB2 0.09 0.26 0.14 -0.04 3.06 3.50 3h1zA1 TYR 926 HB3 0.06 -0.06 0.02 -0.04 2.98 2.96 3h1zA1 TYR 926 HD2 0.06 0.08 0.10 -0.04 7.15 7.34 3h1zA1 TYR 926 HE2 0.04 0.05 0.05 -0.04 6.85 6.96 3h1zA1 ILE 927 H 0.14 0.42 -0.17 -0.55 8.25 8.09 3h1zA1 ILE 927 HA 0.25 0.02 0.46 -0.75 4.18 4.15 3h1zA1 ILE 927 HB 0.05 0.13 0.06 -0.04 1.89 2.09 3h1zA1 ILE 927 HG12 0.17 0.17 -0.10 -0.04 1.49 1.68 3h1zA1 ILE 927 HG13 0.10 -0.01 -0.15 -0.04 1.21 1.11 3h1zA1 ILE 927 HG23 0.19 -0.00 -0.19 -0.04 0.93 0.89 3h1zA1 ILE 927 HD13 0.22 -0.01 -0.16 -0.04 0.88 0.88 3h1zA1 TYR 928 H -0.19 0.69 -0.04 -0.55 8.29 8.20 3h1zA1 TYR 928 HA -0.30 0.03 0.40 -0.75 4.56 3.92 3h1zA1 TYR 928 HB2 -1.40 0.02 0.01 -0.04 3.06 1.65 3h1zA1 TYR 928 HB3 -0.94 0.10 0.13 -0.04 2.98 2.23 3h1zA1 TYR 928 HD2 -0.18 0.03 -0.06 -0.04 7.15 6.90 3h1zA1 TYR 928 HE2 0.02 0.02 -0.10 -0.04 6.85 6.75 3h1zA1 GLN 929 H -0.13 0.50 -0.23 -0.55 8.47 8.07 3h1zA1 GLN 929 HA -0.41 0.00 0.36 -0.75 4.36 3.57 3h1zA1 GLN 929 HB2 -0.02 0.25 0.20 -0.04 2.15 2.54 3h1zA1 GLN 929 HB3 -0.05 -0.06 -0.04 -0.04 2.02 1.82 3h1zA1 GLN 929 HG2 -0.06 0.00 0.04 -0.04 2.40 2.34 3h1zA1 GLN 929 HG3 -0.06 0.00 0.07 -0.04 2.39 2.36 3h1zA1 GLN 929 HE21 -0.35 -0.07 -0.05 -0.04 6.97 6.46 3h1zA1 GLN 929 HE22 -0.22 0.04 -0.09 -0.04 7.69 7.38 3h1zA1 VAL 930 H 0.01 0.49 -0.24 -0.55 8.24 7.94 3h1zA1 VAL 930 HA -0.03 -0.02 0.42 -0.75 4.13 3.74 3h1zA1 VAL 930 HB 0.24 0.20 0.15 -0.04 2.12 2.67 3h1zA1 VAL 930 HG13 0.03 0.00 -0.14 -0.04 0.97 0.83 3h1zA1 VAL 930 HG23 0.00 0.03 0.04 -0.04 0.95 0.98 3h1zA1 TYR 931 H 0.22 0.57 -0.10 -0.55 8.29 8.43 3h1zA1 TYR 931 HA -0.01 0.02 0.30 -0.75 4.56 4.12 3h1zA1 TYR 931 HB2 -0.06 0.11 0.13 -0.04 3.06 3.19 3h1zA1 TYR 931 HB3 -0.01 -0.03 -0.17 -0.04 2.98 2.74 3h1zA1 TYR 931 HD2 0.07 0.07 -0.10 -0.04 7.15 7.14 3h1zA1 TYR 931 HE2 0.06 -0.02 -0.18 -0.04 6.85 6.67 3h1zA1 ASP 932 H -0.19 0.55 -0.23 -0.55 8.40 7.98 3h1zA1 ASP 932 HA -0.08 0.01 0.34 -0.75 4.63 4.15 3h1zA1 ASP 932 HB2 -0.54 -0.01 0.07 -0.04 2.71 2.19 3h1zA1 ASP 932 HB3 -0.35 0.09 0.14 -0.04 2.70 2.54 3h1zA1 SER 933 H -0.15 0.50 -0.11 -0.55 8.46 8.16 3h1zA1 SER 933 HA -0.18 0.03 0.38 -0.75 4.49 3.97 3h1zA1 SER 933 HB2 -0.16 0.02 0.12 -0.04 3.95 3.89 3h1zA1 SER 933 HB3 -0.27 -0.03 -0.03 -0.04 3.93 3.55 3h1zA1 ILE 934 H -0.18 0.64 -0.03 -0.55 8.25 8.13 3h1zA1 ILE 934 HA -0.35 -0.01 0.47 -0.75 4.18 3.53 3h1zA1 ILE 934 HB -0.13 0.07 0.10 -0.04 1.89 1.89 3h1zA1 ILE 934 HG12 -0.05 -0.06 0.02 -0.04 1.49 1.35 3h1zA1 ILE 934 HG13 -0.11 0.05 0.07 -0.04 1.21 1.17 3h1zA1 ILE 934 HG23 -0.08 -0.00 -0.25 -0.04 0.93 0.55 3h1zA1 ILE 934 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.71 3h1zA1 LEU 935 H -0.09 0.60 -0.15 -0.55 8.37 8.19 3h1zA1 LEU 935 HA -0.03 0.03 0.37 -0.75 4.35 3.97 3h1zA1 LEU 935 HB2 -0.00 0.09 0.04 -0.04 1.64 1.73 3h1zA1 LEU 935 HB3 0.03 -0.11 0.04 -0.04 1.64 1.55 3h1zA1 LEU 935 HG -0.01 0.19 0.06 -0.04 1.64 1.85 3h1zA1 LEU 935 HD13 0.19 -0.04 -0.10 -0.04 0.93 0.95 3h1zA1 LEU 935 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.79 3h1zA1 LYS 936 H -0.11 0.35 -0.37 -0.55 8.42 7.73 3h1zA1 LYS 936 HA -0.04 0.05 0.64 -0.75 4.32 4.22 3h1zA1 LYS 936 HB2 -0.09 0.08 0.10 -0.04 1.87 1.91 3h1zA1 LYS 936 HB3 -0.05 -0.10 0.12 -0.04 1.79 1.72 3h1zA1 LYS 936 HG2 -0.03 -0.01 0.03 -0.04 1.46 1.40 3h1zA1 LYS 936 HG3 -0.05 0.05 -0.01 -0.04 1.46 1.40 3h1zA1 LYS 936 HD2 -0.03 -0.03 -0.02 -0.04 1.69 1.56 3h1zA1 LYS 936 HD3 -0.06 -0.04 -0.09 -0.04 1.68 1.45 3h1zA1 LYS 936 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.90 3h1zA1 LYS 936 HE3 -0.02 0.02 0.02 -0.04 2.99 2.97 3h1zA1 ASN 937 H -0.12 0.33 -0.53 -0.55 8.53 7.66 3h1zA1 ASN 937 HA -0.02 0.19 0.79 -0.75 4.76 4.96 3h1zA1 ASN 937 HB2 -0.41 0.14 0.06 -0.04 2.88 2.63 3h1zA1 ASN 937 HB3 0.05 -0.06 0.05 -0.04 2.79 2.78 3h1zA1 ASN 937 HD21 -0.12 -0.11 -0.09 -0.04 7.03 6.67 3h1zA1 ASN 937 HD22 -0.42 0.53 0.01 -0.04 7.74 7.82