============================================================================= 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 -25.685 -27.355 7.081 -99.200 -91.000 TRP 10 1.040 -20.536 -17.451 -2.329 -99.200 -91.000 TRP6 10 1.020 -18.817 -19.068 -2.543 -99.200 -91.000 PHE 25 1.000 -16.308 -21.539 1.411 -99.200 -91.000 HIS 27 0.900 -12.863 -31.434 6.705 -99.200 -91.000 HIS 31 0.900 -7.830 -34.347 1.283 -99.200 -91.000 TYR 33 0.840 -12.507 -31.097 -2.061 -99.200 -91.000 PHE 38 1.000 -16.951 -20.043 -11.838 -99.200 -91.000 HIS 45 0.900 -16.337 -16.521 -26.414 -99.200 -91.000 PHE 49 1.000 -14.867 -18.074 -16.419 -99.200 -91.000 PHE 53 1.000 -9.952 -18.674 -2.214 -99.200 -91.000 PHE 58 1.000 -10.049 -19.594 11.118 -99.200 -91.000 HIS 69 0.900 -10.172 -28.140 -18.118 -99.200 -91.000 PHE 110 1.000 -16.546 -9.244 -13.680 -99.200 -91.000 TYR 111 0.840 -11.157 -6.952 -6.885 -99.200 -91.000 PHE 112 1.000 -16.906 -14.338 -5.141 -99.200 -91.000 PHE 122 1.000 -15.675 -26.698 13.602 -99.200 -91.000 PHE 133 1.000 -13.390 -30.912 27.768 -99.200 -91.000 TRP 137 1.040 -14.094 -26.199 31.543 -99.200 -91.000 TRP6 137 1.020 -15.455 -25.897 29.635 -99.200 -91.000 PHE 148 1.000 -21.813 -18.196 22.275 -99.200 -91.000 HIS 154 0.900 -38.521 -28.882 20.251 -99.200 -91.000 TYR 170 0.840 -13.739 -35.812 17.055 -99.200 -91.000 TYR 184 0.840 -18.715 -32.546 30.697 -99.200 -91.000 TRP 194 1.040 -6.602 -28.057 21.017 -99.200 -91.000 TRP6 194 1.020 -7.638 -30.165 20.705 -99.200 -91.000 TYR 208 0.840 -30.978 -29.106 23.512 -99.200 -91.000 TYR 222 0.840 -17.006 -15.377 13.841 -99.200 -91.000 TYR 224 0.840 -25.155 -19.519 18.884 -99.200 -91.000 TYR 227 0.840 -21.606 -27.090 19.514 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hs9A1 GLY 705 HA2 0.04 -0.07 0.23 -0.51 4.01 3.70 3hs9A1 GLY 705 HA3 0.02 -0.07 0.22 -0.51 4.01 3.68 3hs9A1 GLY 706 H 0.06 0.03 0.11 -0.55 8.43 8.09 3hs9A1 GLY 706 HA2 0.04 0.13 0.49 -0.51 4.01 4.16 3hs9A1 GLY 706 HA3 0.04 -0.01 0.30 -0.51 4.01 3.83 3hs9A1 TYR 707 H 0.12 0.09 0.08 -0.55 8.29 8.03 3hs9A1 TYR 707 HA -0.01 0.11 0.47 -0.75 4.56 4.37 3hs9A1 TYR 707 HB2 -0.03 0.08 0.06 -0.04 3.06 3.13 3hs9A1 TYR 707 HB3 -0.04 -0.06 0.08 -0.04 2.98 2.92 3hs9A1 TYR 707 HD2 -0.02 -0.03 -0.09 -0.04 7.15 6.97 3hs9A1 TYR 707 HE2 -0.01 -0.03 -0.08 -0.04 6.85 6.69 3hs9A1 VAL 708 H -0.48 0.21 0.12 -0.55 8.24 7.54 3hs9A1 VAL 708 HA -0.34 0.17 1.01 -0.75 4.13 4.22 3hs9A1 VAL 708 HB -0.18 -0.03 0.09 -0.04 2.12 1.95 3hs9A1 VAL 708 HG13 -0.11 0.07 -0.12 -0.04 0.97 0.77 3hs9A1 VAL 708 HG23 -0.07 0.04 -0.17 -0.04 0.95 0.70 3hs9A1 ALA 709 H -0.33 0.10 0.09 -0.55 8.40 7.70 3hs9A1 ALA 709 HA -0.17 0.07 0.50 -0.75 4.34 3.98 3hs9A1 ALA 709 HB3 0.05 -0.00 0.11 -0.04 1.41 1.53 3hs9A1 PRO 710 HA -0.09 0.02 0.59 -0.51 4.44 4.45 3hs9A1 PRO 710 HB2 -0.04 0.12 -0.01 -0.04 2.28 2.30 3hs9A1 PRO 710 HB3 -0.04 -0.02 0.13 -0.04 2.02 2.05 3hs9A1 PRO 710 HG2 0.01 0.01 0.08 -0.04 2.03 2.10 3hs9A1 PRO 710 HG3 0.02 0.01 0.09 -0.04 2.03 2.11 3hs9A1 PRO 710 HD2 0.07 0.02 0.25 -0.04 3.68 3.98 3hs9A1 PRO 710 HD3 0.01 0.17 0.20 -0.04 3.65 3.99 3hs9A1 LYS 711 H -0.14 0.00 0.04 -0.55 8.42 7.78 3hs9A1 LYS 711 HA -0.25 0.35 0.17 -0.75 4.32 3.82 3hs9A1 LYS 711 HB2 -0.23 -0.06 -0.17 -0.04 1.87 1.38 3hs9A1 LYS 711 HB3 -0.42 -0.11 -0.22 -0.04 1.79 0.99 3hs9A1 LYS 711 HG2 -0.28 0.05 -0.26 -0.04 1.46 0.92 3hs9A1 LYS 711 HG3 -0.18 -0.03 -0.05 -0.04 1.46 1.16 3hs9A1 LYS 711 HD2 -0.20 -0.05 -0.19 -0.04 1.69 1.20 3hs9A1 LYS 711 HD3 -0.30 0.05 -0.32 -0.04 1.68 1.07 3hs9A1 LYS 711 HE2 -0.15 -0.00 -0.14 -0.04 2.99 2.66 3hs9A1 LYS 711 HE3 -0.13 -0.04 -0.16 -0.04 2.99 2.61 3hs9A1 ALA 712 H -0.48 0.24 0.26 -0.55 8.40 7.87 3hs9A1 ALA 712 HA -0.11 0.07 0.79 -0.75 4.34 4.34 3hs9A1 ALA 712 HB3 0.02 0.04 -0.03 -0.04 1.41 1.41 3hs9A1 VAL 713 H -0.11 0.11 0.09 -0.55 8.24 7.79 3hs9A1 VAL 713 HA -0.20 0.01 0.47 -0.75 4.13 3.65 3hs9A1 VAL 713 HB -0.04 0.02 0.07 -0.04 2.12 2.13 3hs9A1 VAL 713 HG13 -0.08 -0.00 -0.22 -0.04 0.97 0.63 3hs9A1 VAL 713 HG23 -0.09 -0.00 0.01 -0.04 0.95 0.83 3hs9A1 TRP 714 H -0.16 0.53 0.57 -0.55 7.97 8.37 3hs9A1 TRP 714 HA -0.15 0.16 0.84 -0.75 4.62 4.71 3hs9A1 TRP 714 HB2 -0.65 -0.02 -0.03 -0.04 3.23 2.49 3hs9A1 TRP 714 HB3 -1.02 -0.03 -0.10 -0.04 3.23 2.04 3hs9A1 TRP 714 HD1 -0.05 0.12 -0.01 -0.04 7.22 7.24 3hs9A1 TRP 714 HE1 0.04 0.01 -0.03 -0.04 10.20 10.18 3hs9A1 TRP 714 HE3 -0.12 -0.01 -0.24 -0.04 7.59 7.18 3hs9A1 TRP 714 HZ2 -0.15 0.02 -0.34 -0.04 7.44 6.92 3hs9A1 TRP 714 HZ3 -0.08 -0.01 -0.20 -0.04 7.13 6.79 3hs9A1 TRP 714 HH2 -0.91 0.13 -0.14 -0.04 7.19 6.22 3hs9A1 LEU 715 H -0.22 0.50 0.27 -0.55 8.37 8.38 3hs9A1 LEU 715 HA -0.08 0.24 0.88 -0.75 4.35 4.65 3hs9A1 LEU 715 HB2 -0.40 0.02 -0.16 -0.04 1.64 1.06 3hs9A1 LEU 715 HB3 -0.26 -0.17 0.14 -0.04 1.64 1.30 3hs9A1 LEU 715 HG -0.12 0.18 -0.17 -0.04 1.64 1.48 3hs9A1 LEU 715 HD13 0.13 0.01 -0.12 -0.04 0.93 0.91 3hs9A1 LEU 715 HD23 0.00 -0.03 -0.13 -0.04 0.89 0.69 3hs9A1 PRO 716 HA -0.07 0.05 0.43 -0.51 4.44 4.34 3hs9A1 PRO 716 HB2 -0.03 -0.13 -0.06 -0.04 2.28 2.02 3hs9A1 PRO 716 HB3 -0.03 0.04 0.09 -0.04 2.02 2.07 3hs9A1 PRO 716 HG2 -0.00 0.07 0.02 -0.04 2.03 2.08 3hs9A1 PRO 716 HG3 -0.01 0.08 -0.02 -0.04 2.03 2.04 3hs9A1 PRO 716 HD2 -0.01 0.12 0.15 -0.04 3.68 3.89 3hs9A1 PRO 716 HD3 -0.01 0.30 -0.09 -0.04 3.65 3.81 3hs9A1 ALA 717 H -0.06 0.14 0.13 -0.55 8.40 8.06 3hs9A1 ALA 717 HA -0.09 0.35 -0.20 -0.75 4.34 3.64 3hs9A1 ALA 717 HB3 -0.04 0.02 -0.04 -0.04 1.41 1.30 3hs9A1 VAL 718 H -0.04 0.08 -0.13 -0.55 8.24 7.60 3hs9A1 VAL 718 HA -0.03 0.09 0.35 -0.75 4.13 3.79 3hs9A1 VAL 718 HB -0.01 0.05 0.08 -0.04 2.12 2.20 3hs9A1 VAL 718 HG13 -0.02 0.00 0.01 -0.04 0.97 0.92 3hs9A1 VAL 718 HG23 -0.01 0.00 -0.11 -0.04 0.95 0.79 3hs9A1 LYS 719 H -0.06 0.24 -0.70 -0.55 8.42 7.34 3hs9A1 LYS 719 HA -0.00 0.16 0.75 -0.75 4.32 4.47 3hs9A1 LYS 719 HB2 -0.03 0.10 0.02 -0.04 1.87 1.92 3hs9A1 LYS 719 HB3 0.03 0.05 0.11 -0.04 1.79 1.93 3hs9A1 LYS 719 HG2 0.00 -0.13 -0.16 -0.04 1.46 1.13 3hs9A1 LYS 719 HG3 0.02 0.03 0.01 -0.04 1.46 1.48 3hs9A1 LYS 719 HD2 0.05 0.03 0.06 -0.04 1.69 1.78 3hs9A1 LYS 719 HD3 0.03 0.04 0.07 -0.04 1.68 1.78 3hs9A1 LYS 719 HE2 0.02 -0.03 -0.06 -0.04 2.99 2.88 3hs9A1 LYS 719 HE3 0.03 -0.00 -0.01 -0.04 2.99 2.96 3hs9A1 ALA 720 H -0.19 0.26 -0.33 -0.55 8.40 7.59 3hs9A1 ALA 720 HA -0.93 0.18 0.76 -0.75 4.34 3.59 3hs9A1 ALA 720 HB3 -0.84 0.09 0.02 -0.04 1.41 0.64 3hs9A1 LYS 721 H -0.10 0.20 -0.16 -0.55 8.42 7.80 3hs9A1 LYS 721 HA -0.02 0.04 0.28 -0.75 4.32 3.87 3hs9A1 LYS 721 HB2 0.09 0.05 -0.06 -0.04 1.87 1.91 3hs9A1 LYS 721 HB3 0.05 -0.01 0.14 -0.04 1.79 1.92 3hs9A1 LYS 721 HG2 0.10 0.00 -0.07 -0.04 1.46 1.45 3hs9A1 LYS 721 HG3 0.31 0.02 -0.18 -0.04 1.46 1.56 3hs9A1 LYS 721 HD2 0.06 -0.01 0.01 -0.04 1.69 1.71 3hs9A1 LYS 721 HD3 0.12 0.03 -0.03 -0.04 1.68 1.75 3hs9A1 LYS 721 HE2 0.12 0.03 -0.05 -0.04 2.99 3.04 3hs9A1 LYS 721 HE3 0.08 -0.03 0.00 -0.04 2.99 3.00 3hs9A1 GLY 722 H -0.10 0.62 -0.32 -0.55 8.43 8.08 3hs9A1 GLY 722 HA2 -0.03 -0.05 0.09 -0.51 4.01 3.51 3hs9A1 GLY 722 HA3 -0.01 0.09 0.55 -0.51 4.01 4.12 3hs9A1 LEU 723 H -0.13 0.65 -0.12 -0.55 8.37 8.22 3hs9A1 LEU 723 HA 0.05 0.07 0.59 -0.75 4.35 4.31 3hs9A1 LEU 723 HB2 0.11 -0.03 0.05 -0.04 1.64 1.72 3hs9A1 LEU 723 HB3 -0.18 0.07 0.15 -0.04 1.64 1.64 3hs9A1 LEU 723 HG 0.07 -0.03 -0.28 -0.04 1.64 1.36 3hs9A1 LEU 723 HD13 0.30 0.02 -0.08 -0.04 0.93 1.13 3hs9A1 LEU 723 HD23 0.57 -0.02 -0.13 -0.04 0.89 1.28 3hs9A1 GLU 724 H -0.02 0.65 0.41 -0.55 8.60 9.10 3hs9A1 GLU 724 HA -0.12 0.47 0.95 -0.75 4.29 4.83 3hs9A1 GLU 724 HB2 -0.07 -0.16 -0.00 -0.04 2.09 1.81 3hs9A1 GLU 724 HB3 -0.06 0.04 0.15 -0.04 1.99 2.08 3hs9A1 GLU 724 HG2 -0.14 -0.03 -0.48 -0.04 2.34 1.66 3hs9A1 GLU 724 HG3 -0.13 0.06 -0.06 -0.04 2.34 2.17 3hs9A1 ILE 725 H -0.22 0.51 0.27 -0.55 8.25 8.25 3hs9A1 ILE 725 HA -0.41 0.37 1.13 -0.75 4.18 4.52 3hs9A1 ILE 725 HB -0.45 -0.08 0.02 -0.04 1.89 1.34 3hs9A1 ILE 725 HG12 -0.92 0.03 -0.09 -0.04 1.49 0.46 3hs9A1 ILE 725 HG13 -0.24 -0.02 -0.30 -0.04 1.21 0.61 3hs9A1 ILE 725 HG23 -0.58 0.01 -0.16 -0.04 0.93 0.17 3hs9A1 ILE 725 HD13 -0.08 0.00 -0.12 -0.04 0.88 0.63 3hs9A1 SER 726 H -0.42 0.64 0.35 -0.55 8.46 8.49 3hs9A1 SER 726 HA -0.58 0.14 0.86 -0.75 4.49 4.15 3hs9A1 SER 726 HB2 -0.29 -0.05 -0.32 -0.04 3.95 3.24 3hs9A1 SER 726 HB3 -0.28 0.01 -0.15 -0.04 3.93 3.47 3hs9A1 GLY 727 H -1.46 0.37 0.24 -0.55 8.43 7.03 3hs9A1 GLY 727 HA2 -0.81 0.27 0.83 -0.51 4.01 3.79 3hs9A1 GLY 727 HA3 -2.27 0.01 0.28 -0.51 4.01 1.52 3hs9A1 THR 728 H -0.50 0.56 0.31 -0.55 8.28 8.10 3hs9A1 THR 728 HA 0.08 0.11 0.49 -0.75 4.39 4.31 3hs9A1 THR 728 HB -0.15 0.07 -0.24 -0.04 4.32 3.96 3hs9A1 THR 728 HG23 -0.13 0.00 -0.13 -0.04 1.22 0.92 3hs9A1 PHE 729 H 0.19 0.32 0.26 -0.55 8.34 8.56 3hs9A1 PHE 729 HA 0.15 0.25 1.06 -0.75 4.62 5.32 3hs9A1 PHE 729 HB2 0.05 -0.04 0.08 -0.04 3.15 3.20 3hs9A1 PHE 729 HB3 0.07 0.05 0.05 -0.04 3.06 3.20 3hs9A1 PHE 729 HD2 0.16 0.00 -0.14 -0.04 7.28 7.26 3hs9A1 PHE 729 HE2 0.04 0.00 -0.24 -0.04 7.38 7.14 3hs9A1 PHE 729 HZ -0.33 -0.01 -0.23 -0.04 7.32 6.71 3hs9A1 THR 730 H 0.27 0.59 0.41 -0.55 8.28 9.01 3hs9A1 THR 730 HA 0.10 0.21 0.84 -0.75 4.39 4.79 3hs9A1 THR 730 HB 0.08 -0.00 -0.00 -0.04 4.32 4.35 3hs9A1 THR 730 HG23 -0.00 -0.00 -0.25 -0.04 1.22 0.93 3hs9A1 HIS 731 H 0.16 0.27 0.03 -0.55 8.41 8.33 3hs9A1 HIS 731 HA 0.13 0.28 0.75 -0.75 4.63 5.03 3hs9A1 HIS 731 HB2 0.01 0.04 0.03 -0.04 3.26 3.30 3hs9A1 HIS 731 HB3 0.01 -0.02 0.17 -0.04 3.20 3.32 3hs9A1 HIS 731 HD2 0.04 -0.02 -0.04 -0.04 6.97 6.91 3hs9A1 HIS 731 HE1 0.00 -0.06 -0.11 -0.04 7.75 7.54 3hs9A1 ARG 732 H 0.12 0.59 0.17 -0.55 8.46 8.79 3hs9A1 ARG 732 HA 0.00 0.16 0.99 -0.75 4.34 4.74 3hs9A1 ARG 732 HB2 0.00 0.02 0.02 -0.04 1.90 1.90 3hs9A1 ARG 732 HB3 0.02 0.04 -0.09 -0.04 1.80 1.73 3hs9A1 ARG 732 HG2 0.03 -0.05 -0.09 -0.04 1.67 1.52 3hs9A1 ARG 732 HG3 0.20 0.04 0.02 -0.04 1.67 1.89 3hs9A1 ARG 732 HD2 -0.09 0.01 -0.08 -0.04 3.22 3.01 3hs9A1 ARG 732 HD3 -0.13 0.01 -0.07 -0.04 3.22 2.99 3hs9A1 GLN 733 H 0.01 0.20 0.14 -0.55 8.47 8.27 3hs9A1 GLN 733 HA 0.04 0.04 0.31 -0.75 4.36 4.00 3hs9A1 GLN 733 HB2 0.04 0.09 0.23 -0.04 2.15 2.47 3hs9A1 GLN 733 HB3 0.05 -0.00 0.15 -0.04 2.02 2.18 3hs9A1 GLN 733 HG2 0.00 0.01 -0.00 -0.04 2.40 2.37 3hs9A1 GLN 733 HG3 0.01 -0.03 -0.02 -0.04 2.39 2.31 3hs9A1 GLN 733 HE21 -0.04 -0.01 -0.09 -0.04 6.97 6.79 3hs9A1 GLN 733 HE22 -0.07 0.00 -0.03 -0.04 7.69 7.55 3hs9A1 GLY 734 H -0.25 0.08 -0.30 -0.55 8.43 7.42 3hs9A1 GLY 734 HA2 -0.32 0.03 0.21 -0.51 4.01 3.42 3hs9A1 GLY 734 HA3 -0.03 0.02 0.30 -0.51 4.01 3.78 3hs9A1 HIS 735 H -0.11 0.19 -0.22 -0.55 8.41 7.72 3hs9A1 HIS 735 HA -0.12 0.10 0.51 -0.75 4.63 4.37 3hs9A1 HIS 735 HB2 -0.07 0.04 0.01 -0.04 3.26 3.20 3hs9A1 HIS 735 HB3 -0.36 -0.01 0.04 -0.04 3.20 2.84 3hs9A1 HIS 735 HD2 -0.06 -0.05 0.05 -0.04 6.97 6.86 3hs9A1 HIS 735 HE1 0.00 -0.06 0.03 -0.04 7.75 7.68 3hs9A1 ILE 736 H -0.11 0.24 0.17 -0.55 8.25 8.01 3hs9A1 ILE 736 HA 0.10 0.30 0.92 -0.75 4.18 4.75 3hs9A1 ILE 736 HB 0.02 -0.03 0.03 -0.04 1.89 1.88 3hs9A1 ILE 736 HG12 0.14 0.24 -0.08 -0.04 1.49 1.75 3hs9A1 ILE 736 HG13 0.14 -0.14 -0.13 -0.04 1.21 1.03 3hs9A1 ILE 736 HG23 0.14 -0.00 -0.16 -0.04 0.93 0.87 3hs9A1 ILE 736 HD13 0.03 -0.01 -0.12 -0.04 0.88 0.74 3hs9A1 TYR 737 H 0.30 0.52 0.30 -0.55 8.29 8.86 3hs9A1 TYR 737 HA 0.13 0.26 1.01 -0.75 4.56 5.20 3hs9A1 TYR 737 HB2 0.05 -0.10 -0.12 -0.04 3.06 2.86 3hs9A1 TYR 737 HB3 0.05 0.05 -0.28 -0.04 2.98 2.76 3hs9A1 TYR 737 HD2 0.04 -0.01 -0.33 -0.04 7.15 6.80 3hs9A1 TYR 737 HE2 -0.01 0.06 -0.09 -0.04 6.85 6.77 3hs9A1 MET 738 H 0.24 0.49 0.17 -0.55 8.47 8.82 3hs9A1 MET 738 HA -0.10 0.21 0.94 -0.75 4.52 4.82 3hs9A1 MET 738 HB2 0.26 -0.01 0.04 -0.04 2.15 2.40 3hs9A1 MET 738 HB3 0.26 -0.01 0.15 -0.04 2.03 2.39 3hs9A1 MET 738 HG2 0.19 -0.05 -0.31 -0.04 2.63 2.41 3hs9A1 MET 738 HG3 0.04 0.11 -0.05 -0.04 2.56 2.62 3hs9A1 MET 738 HE3 -0.11 0.00 -0.15 -0.04 2.10 1.80 3hs9A1 GLU 739 H -0.09 0.44 -0.00 -0.55 8.60 8.40 3hs9A1 GLU 739 HA -0.02 0.19 0.85 -0.75 4.29 4.55 3hs9A1 GLU 739 HB2 -0.12 -0.08 0.01 -0.04 2.09 1.86 3hs9A1 GLU 739 HB3 -0.10 0.05 -0.06 -0.04 1.99 1.84 3hs9A1 GLU 739 HG2 0.03 -0.00 -0.28 -0.04 2.34 2.05 3hs9A1 GLU 739 HG3 -0.05 0.02 -0.17 -0.04 2.34 2.09 3hs9A1 MET 740 H -0.02 0.72 0.37 -0.55 8.47 8.99 3hs9A1 MET 740 HA -0.35 0.25 1.01 -0.75 4.52 4.68 3hs9A1 MET 740 HB2 0.15 -0.02 0.06 -0.04 2.15 2.30 3hs9A1 MET 740 HB3 -0.12 -0.01 -0.00 -0.04 2.03 1.86 3hs9A1 MET 740 HG2 -0.07 0.02 -0.17 -0.04 2.63 2.37 3hs9A1 MET 740 HG3 0.07 -0.04 -0.41 -0.04 2.56 2.14 3hs9A1 MET 740 HE3 0.24 0.01 -0.10 -0.04 2.10 2.21 3hs9A1 ASN 741 H -0.32 0.61 0.38 -0.55 8.53 8.65 3hs9A1 ASN 741 HA -0.01 0.27 0.60 -0.75 4.76 4.86 3hs9A1 ASN 741 HB2 -0.13 0.04 -0.03 -0.04 2.88 2.73 3hs9A1 ASN 741 HB3 -0.21 -0.06 0.06 -0.04 2.79 2.54 3hs9A1 ASN 741 HD21 -0.05 -0.03 -0.26 -0.04 7.03 6.65 3hs9A1 ASN 741 HD22 -0.06 -0.01 -0.27 -0.04 7.74 7.36 3hs9A1 PHE 742 H 0.26 0.69 0.29 -0.55 8.34 9.02 3hs9A1 PHE 742 HA -0.12 0.26 1.00 -0.75 4.62 5.01 3hs9A1 PHE 742 HB2 -0.23 -0.04 0.10 -0.04 3.15 2.94 3hs9A1 PHE 742 HB3 -0.18 0.03 -0.01 -0.04 3.06 2.86 3hs9A1 PHE 742 HD2 -0.21 0.01 -0.12 -0.04 7.28 6.91 3hs9A1 PHE 742 HE2 -0.03 -0.01 -0.12 -0.04 7.38 7.19 3hs9A1 PHE 742 HZ 0.03 -0.00 -0.12 -0.04 7.32 7.18 3hs9A1 THR 743 H -0.01 0.76 0.33 -0.55 8.28 8.81 3hs9A1 THR 743 HA 0.02 0.33 0.95 -0.75 4.39 4.94 3hs9A1 THR 743 HB -0.04 -0.05 0.06 -0.04 4.32 4.25 3hs9A1 THR 743 HG23 -0.01 0.01 -0.23 -0.04 1.22 0.95 3hs9A1 ASN 744 H 0.04 0.68 0.13 -0.55 8.53 8.83 3hs9A1 ASN 744 HA 0.07 0.11 0.79 -0.75 4.76 4.98 3hs9A1 ASN 744 HB2 0.11 -0.03 -0.16 -0.04 2.88 2.77 3hs9A1 ASN 744 HB3 0.06 0.14 -0.03 -0.04 2.79 2.92 3hs9A1 ASN 744 HD21 0.07 0.32 -0.09 -0.04 7.03 7.29 3hs9A1 ASN 744 HD22 0.11 0.23 -0.48 -0.04 7.74 7.56 3hs9A1 LYS 745 H 0.01 0.72 0.21 -0.55 8.42 8.81 3hs9A1 LYS 745 HA 0.01 0.11 0.74 -0.75 4.32 4.42 3hs9A1 LYS 745 HB2 -0.02 0.08 0.13 -0.04 1.87 2.02 3hs9A1 LYS 745 HB3 -0.01 -0.04 0.17 -0.04 1.79 1.87 3hs9A1 LYS 745 HG2 -0.01 0.03 -0.13 -0.04 1.46 1.31 3hs9A1 LYS 745 HG3 -0.01 0.01 -0.24 -0.04 1.46 1.17 3hs9A1 LYS 745 HD2 -0.04 -0.06 -0.02 -0.04 1.69 1.53 3hs9A1 LYS 745 HD3 -0.02 -0.02 -0.00 -0.04 1.68 1.59 3hs9A1 LYS 745 HE2 -0.02 0.04 -0.05 -0.04 2.99 2.91 3hs9A1 LYS 745 HE3 -0.04 0.01 -0.08 -0.04 2.99 2.84 3hs9A1 ALA 746 H 0.03 0.02 -0.42 -0.55 8.40 7.48 3hs9A1 ALA 746 HA 0.01 0.14 0.64 -0.75 4.34 4.37 3hs9A1 ALA 746 HB3 0.02 0.02 0.12 -0.04 1.41 1.52 3hs9A1 LEU 747 H 0.01 0.12 0.16 -0.55 8.37 8.12 3hs9A1 LEU 747 HA 0.02 0.12 0.47 -0.75 4.35 4.21 3hs9A1 LEU 747 HB2 0.01 -0.02 0.17 -0.04 1.64 1.76 3hs9A1 LEU 747 HB3 0.02 0.01 0.02 -0.04 1.64 1.65 3hs9A1 LEU 747 HG 0.02 -0.00 0.03 -0.04 1.64 1.65 3hs9A1 LEU 747 HD13 0.01 0.01 0.02 -0.04 0.93 0.93 3hs9A1 LEU 747 HD23 0.01 -0.00 0.02 -0.04 0.89 0.88 3hs9A1 GLN 748 H 0.01 0.07 -0.07 -0.55 8.47 7.94 3hs9A1 GLN 748 HA 0.07 0.20 0.95 -0.75 4.36 4.82 3hs9A1 GLN 748 HB2 -0.02 -0.04 0.03 -0.04 2.15 2.08 3hs9A1 GLN 748 HB3 -0.04 0.09 0.05 -0.04 2.02 2.07 3hs9A1 GLN 748 HG2 0.08 -0.01 0.02 -0.04 2.40 2.45 3hs9A1 GLN 748 HG3 0.05 0.12 -0.20 -0.04 2.39 2.31 3hs9A1 GLN 748 HE21 0.02 -0.01 -0.02 -0.04 6.97 6.92 3hs9A1 GLN 748 HE22 0.03 0.02 -0.03 -0.04 7.69 7.67 3hs9A1 HIS 749 H 0.24 0.06 0.13 -0.55 8.41 8.30 3hs9A1 HIS 749 HA 0.04 0.26 0.50 -0.75 4.63 4.68 3hs9A1 HIS 749 HB2 0.03 0.00 -0.09 -0.04 3.26 3.16 3hs9A1 HIS 749 HB3 0.02 -0.02 0.07 -0.04 3.20 3.24 3hs9A1 HIS 749 HD2 0.01 -0.02 0.07 -0.04 6.97 6.99 3hs9A1 HIS 749 HE1 -0.00 -0.00 -0.09 -0.04 7.75 7.61 3hs9A1 MET 750 H 0.14 0.62 0.31 -0.55 8.47 8.99 3hs9A1 MET 750 HA -0.16 0.12 0.96 -0.75 4.52 4.69 3hs9A1 MET 750 HB2 0.24 0.01 0.14 -0.04 2.15 2.50 3hs9A1 MET 750 HB3 -0.18 -0.02 0.02 -0.04 2.03 1.81 3hs9A1 MET 750 HG2 -0.01 -0.04 -0.01 -0.04 2.63 2.53 3hs9A1 MET 750 HG3 0.03 0.15 -0.27 -0.04 2.56 2.43 3hs9A1 MET 750 HE3 0.07 0.01 -0.15 -0.04 2.10 1.98 3hs9A1 THR 751 H -0.21 0.13 0.23 -0.55 8.28 7.88 3hs9A1 THR 751 HA 0.01 0.27 0.88 -0.75 4.39 4.79 3hs9A1 THR 751 HB 0.02 -0.06 0.12 -0.04 4.32 4.36 3hs9A1 THR 751 HG23 0.19 0.01 -0.19 -0.04 1.22 1.19 3hs9A1 ASP 752 H -0.01 0.17 0.14 -0.55 8.40 8.14 3hs9A1 ASP 752 HA -0.01 0.06 0.31 -0.75 4.63 4.24 3hs9A1 ASP 752 HB2 -0.11 0.05 -0.16 -0.04 2.71 2.45 3hs9A1 ASP 752 HB3 -0.05 0.06 0.02 -0.04 2.70 2.69 3hs9A1 PHE 753 H 0.12 0.07 0.02 -0.55 8.34 7.99 3hs9A1 PHE 753 HA 0.02 0.49 0.67 -0.75 4.62 5.05 3hs9A1 PHE 753 HB2 -0.10 0.04 0.13 -0.04 3.15 3.18 3hs9A1 PHE 753 HB3 -0.11 -0.04 -0.04 -0.04 3.06 2.83 3hs9A1 PHE 753 HD2 0.03 0.09 0.00 -0.04 7.28 7.36 3hs9A1 PHE 753 HE2 0.14 0.01 -0.11 -0.04 7.38 7.38 3hs9A1 PHE 753 HZ 0.11 -0.01 -0.09 -0.04 7.32 7.29 3hs9A1 ALA 754 H 0.23 0.44 0.40 -0.55 8.40 8.92 3hs9A1 ALA 754 HA 0.08 0.02 0.71 -0.75 4.34 4.40 3hs9A1 ALA 754 HB3 0.03 0.03 -0.07 -0.04 1.41 1.36 3hs9A1 ILE 755 H 0.05 0.17 0.24 -0.55 8.25 8.15 3hs9A1 ILE 755 HA 0.10 0.37 1.19 -0.75 4.18 5.09 3hs9A1 ILE 755 HB 0.19 -0.07 -0.13 -0.04 1.89 1.84 3hs9A1 ILE 755 HG12 0.24 -0.01 -0.16 -0.04 1.49 1.53 3hs9A1 ILE 755 HG13 0.21 0.16 0.08 -0.04 1.21 1.62 3hs9A1 ILE 755 HG23 0.00 -0.02 -0.02 -0.04 0.93 0.84 3hs9A1 ILE 755 HD13 0.38 -0.02 -0.12 -0.04 0.88 1.09 3hs9A1 GLN 756 H 0.06 0.58 0.36 -0.55 8.47 8.92 3hs9A1 GLN 756 HA -0.03 0.15 0.79 -0.75 4.36 4.52 3hs9A1 GLN 756 HB2 0.00 -0.04 0.06 -0.04 2.15 2.13 3hs9A1 GLN 756 HB3 0.03 0.08 -0.04 -0.04 2.02 2.05 3hs9A1 GLN 756 HG2 -0.01 0.05 0.06 -0.04 2.40 2.46 3hs9A1 GLN 756 HG3 -0.01 -0.03 -0.39 -0.04 2.39 1.92 3hs9A1 GLN 756 HE21 -0.00 -0.02 -0.06 -0.04 6.97 6.84 3hs9A1 GLN 756 HE22 -0.01 0.01 -0.08 -0.04 7.69 7.57 3hs9A1 PHE 757 H 0.06 0.18 0.17 -0.55 8.34 8.20 3hs9A1 PHE 757 HA -0.06 0.16 0.93 -0.75 4.62 4.89 3hs9A1 PHE 757 HB2 0.00 -0.01 0.19 -0.04 3.15 3.29 3hs9A1 PHE 757 HB3 -0.01 0.17 0.03 -0.04 3.06 3.20 3hs9A1 PHE 757 HD2 -0.00 0.07 -0.49 -0.04 7.28 6.81 3hs9A1 PHE 757 HE2 0.08 -0.03 -0.22 -0.04 7.38 7.16 3hs9A1 PHE 757 HZ 0.13 -0.02 -0.14 -0.04 7.32 7.24 3hs9A1 ASN 758 H 0.04 0.65 0.29 -0.55 8.53 8.96 3hs9A1 ASN 758 HA 0.06 0.05 0.54 -0.75 4.76 4.66 3hs9A1 ASN 758 HB2 0.04 -0.01 0.02 -0.04 2.88 2.89 3hs9A1 ASN 758 HB3 0.00 -0.02 0.06 -0.04 2.79 2.80 3hs9A1 ASN 758 HD21 0.01 -0.03 0.01 -0.04 7.03 6.98 3hs9A1 ASN 758 HD22 0.01 -0.02 0.00 -0.04 7.74 7.69 3hs9A1 LYS 759 H 0.02 0.02 0.11 -0.55 8.42 8.03 3hs9A1 LYS 759 HA 0.03 0.21 0.38 -0.75 4.32 4.18 3hs9A1 LYS 759 HB2 0.01 -0.08 0.09 -0.04 1.87 1.85 3hs9A1 LYS 759 HB3 -0.00 -0.00 -0.21 -0.04 1.79 1.53 3hs9A1 LYS 759 HG2 0.00 0.07 -0.32 -0.04 1.46 1.17 3hs9A1 LYS 759 HG3 0.02 0.04 -0.03 -0.04 1.46 1.44 3hs9A1 LYS 759 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.62 3hs9A1 LYS 759 HD3 0.01 -0.04 0.01 -0.04 1.68 1.62 3hs9A1 LYS 759 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.89 3hs9A1 LYS 759 HE3 -0.01 0.07 -0.05 -0.04 2.99 2.96 3hs9A1 ASN 760 H 0.01 0.41 0.26 -0.55 8.53 8.67 3hs9A1 ASN 760 HA -0.02 0.27 0.85 -0.75 4.76 5.11 3hs9A1 ASN 760 HB2 -0.02 0.01 0.11 -0.04 2.88 2.94 3hs9A1 ASN 760 HB3 -0.03 0.13 -0.18 -0.04 2.79 2.67 3hs9A1 ASN 760 HD21 0.13 0.42 0.09 -0.04 7.03 7.62 3hs9A1 ASN 760 HD22 0.05 0.61 0.03 -0.04 7.74 8.39 3hs9A1 SER 761 H -0.04 0.26 0.26 -0.55 8.46 8.39 3hs9A1 SER 761 HA -0.16 -0.08 -0.13 -0.75 4.49 3.37 3hs9A1 SER 761 HB2 -0.13 0.04 0.16 -0.04 3.95 3.97 3hs9A1 SER 761 HB3 -0.46 -0.06 0.10 -0.04 3.93 3.46 3hs9A1 PHE 762 H 0.11 0.07 -0.24 -0.55 8.34 7.72 3hs9A1 PHE 762 HA -0.04 0.15 0.59 -0.75 4.62 4.57 3hs9A1 PHE 762 HB2 -0.07 0.00 0.00 -0.04 3.15 3.04 3hs9A1 PHE 762 HB3 -0.05 0.02 0.06 -0.04 3.06 3.05 3hs9A1 PHE 762 HD2 -0.08 -0.02 0.02 -0.04 7.28 7.16 3hs9A1 PHE 762 HE2 -0.11 -0.03 -0.05 -0.04 7.38 7.15 3hs9A1 PHE 762 HZ -0.07 -0.04 -0.05 -0.04 7.32 7.13 3hs9A1 GLY 763 H 0.04 0.36 -0.09 -0.55 8.43 8.20 3hs9A1 GLY 763 HA2 0.03 0.23 0.00 -0.51 4.01 3.76 3hs9A1 GLY 763 HA3 0.03 0.15 0.07 -0.51 4.01 3.75 3hs9A1 VAL 764 H 0.09 -0.06 -0.11 -0.55 8.24 7.62 3hs9A1 VAL 764 HA 0.12 0.27 0.62 -0.75 4.13 4.38 3hs9A1 VAL 764 HB 0.08 -0.07 -0.01 -0.04 2.12 2.08 3hs9A1 VAL 764 HG13 0.28 -0.00 -0.21 -0.04 0.97 0.99 3hs9A1 VAL 764 HG23 0.05 -0.02 -0.23 -0.04 0.95 0.72 3hs9A1 ILE 765 H 0.14 0.56 0.37 -0.55 8.25 8.77 3hs9A1 ILE 765 HA -0.02 0.11 0.72 -0.75 4.18 4.24 3hs9A1 ILE 765 HB 0.05 -0.02 -0.44 -0.04 1.89 1.43 3hs9A1 ILE 765 HG12 -0.07 0.06 0.09 -0.04 1.49 1.54 3hs9A1 ILE 765 HG13 0.02 0.06 -0.01 -0.04 1.21 1.24 3hs9A1 ILE 765 HG23 -0.01 0.04 -0.16 -0.04 0.93 0.77 3hs9A1 ILE 765 HD13 -0.01 -0.03 -0.06 -0.04 0.88 0.74 3hs9A1 PRO 766 HA -0.09 0.18 1.06 -0.51 4.44 5.08 3hs9A1 PRO 766 HB2 -0.15 0.16 0.11 -0.04 2.28 2.36 3hs9A1 PRO 766 HB3 -0.25 -0.01 0.11 -0.04 2.02 1.83 3hs9A1 PRO 766 HG2 -0.29 0.08 0.09 -0.04 2.03 1.87 3hs9A1 PRO 766 HG3 -0.66 -0.02 0.02 -0.04 2.03 1.33 3hs9A1 PRO 766 HD2 -0.40 0.10 0.26 -0.04 3.68 3.59 3hs9A1 PRO 766 HD3 -1.69 0.08 0.11 -0.04 3.65 2.11 3hs9A1 SER 767 H -0.03 0.63 0.14 -0.55 8.46 8.65 3hs9A1 SER 767 HA -0.02 0.11 0.63 -0.75 4.49 4.45 3hs9A1 SER 767 HB2 -0.00 0.01 -0.08 -0.04 3.95 3.83 3hs9A1 SER 767 HB3 -0.00 -0.03 0.04 -0.04 3.93 3.90 3hs9A1 THR 768 H -0.03 0.25 -0.03 -0.55 8.28 7.92 3hs9A1 THR 768 HA -0.01 0.13 0.66 -0.75 4.39 4.42 3hs9A1 THR 768 HB 0.01 0.02 0.13 -0.04 4.32 4.44 3hs9A1 THR 768 HG23 0.02 -0.03 -0.17 -0.04 1.22 1.00 3hs9A1 PRO 769 HA -0.02 0.11 0.74 -0.51 4.44 4.76 3hs9A1 PRO 769 HB2 0.01 0.12 -0.07 -0.04 2.28 2.30 3hs9A1 PRO 769 HB3 0.01 0.00 0.15 -0.04 2.02 2.14 3hs9A1 PRO 769 HG2 0.01 0.03 0.05 -0.04 2.03 2.07 3hs9A1 PRO 769 HG3 0.00 0.04 0.05 -0.04 2.03 2.08 3hs9A1 PRO 769 HD2 0.01 0.09 0.15 -0.04 3.68 3.88 3hs9A1 PRO 769 HD3 0.00 0.13 0.14 -0.04 3.65 3.88 3hs9A1 LEU 770 H 0.01 0.05 0.14 -0.55 8.37 8.02 3hs9A1 LEU 770 HA -0.00 0.05 0.42 -0.75 4.35 4.06 3hs9A1 LEU 770 HB2 0.05 -0.05 0.05 -0.04 1.64 1.65 3hs9A1 LEU 770 HB3 0.01 0.07 -0.06 -0.04 1.64 1.62 3hs9A1 LEU 770 HG -0.18 0.00 -0.22 -0.04 1.64 1.20 3hs9A1 LEU 770 HD13 0.18 0.01 -0.10 -0.04 0.93 0.97 3hs9A1 LEU 770 HD23 -0.07 -0.00 -0.20 -0.04 0.89 0.58 3hs9A1 ALA 771 H -0.07 0.17 0.03 -0.55 8.40 7.98 3hs9A1 ALA 771 HA -0.14 0.16 0.75 -0.75 4.34 4.36 3hs9A1 ALA 771 HB3 -0.07 0.02 0.11 -0.04 1.41 1.42 3hs9A1 ILE 772 H -0.20 0.38 -0.37 -0.55 8.25 7.50 3hs9A1 ILE 772 HA -0.38 0.10 0.39 -0.75 4.18 3.54 3hs9A1 ILE 772 HB -0.41 0.06 -0.13 -0.04 1.89 1.37 3hs9A1 ILE 772 HG12 -0.21 0.01 -0.06 -0.04 1.49 1.19 3hs9A1 ILE 772 HG13 -0.41 -0.00 -0.08 -0.04 1.21 0.67 3hs9A1 ILE 772 HG23 -0.46 -0.01 -0.05 -0.04 0.93 0.36 3hs9A1 ILE 772 HD13 -0.18 -0.01 -0.11 -0.04 0.88 0.54 3hs9A1 HIS 773 H -0.69 0.20 -0.12 -0.55 8.41 7.25 3hs9A1 HIS 773 HA 0.02 0.10 0.50 -0.75 4.63 4.50 3hs9A1 HIS 773 HB2 0.00 0.02 0.20 -0.04 3.26 3.44 3hs9A1 HIS 773 HB3 0.00 0.03 0.04 -0.04 3.20 3.24 3hs9A1 HIS 773 HD2 -0.00 0.03 -0.02 -0.04 6.97 6.94 3hs9A1 HIS 773 HE1 -0.02 0.03 -0.04 -0.04 7.75 7.68 3hs9A1 THR 774 H 0.09 0.50 -0.01 -0.55 8.28 8.31 3hs9A1 THR 774 HA 0.08 0.16 0.56 -0.75 4.39 4.44 3hs9A1 THR 774 HB 0.01 -0.05 -0.27 -0.04 4.32 3.97 3hs9A1 THR 774 HG23 0.03 0.06 -0.17 -0.04 1.22 1.10 3hs9A1 PRO 775 HA 0.15 0.27 0.94 -0.51 4.44 5.29 3hs9A1 PRO 775 HB2 0.07 -0.00 -0.06 -0.04 2.28 2.25 3hs9A1 PRO 775 HB3 0.10 0.00 0.03 -0.04 2.02 2.11 3hs9A1 PRO 775 HG2 0.00 0.03 0.07 -0.04 2.03 2.09 3hs9A1 PRO 775 HG3 0.01 0.03 0.04 -0.04 2.03 2.07 3hs9A1 PRO 775 HD2 0.04 0.09 0.21 -0.04 3.68 3.98 3hs9A1 PRO 775 HD3 0.04 0.13 0.15 -0.04 3.65 3.94 3hs9A1 LEU 776 H 0.22 0.74 0.25 -0.55 8.37 9.04 3hs9A1 LEU 776 HA 0.08 0.09 0.76 -0.75 4.35 4.52 3hs9A1 LEU 776 HB2 0.15 0.02 0.00 -0.04 1.64 1.77 3hs9A1 LEU 776 HB3 0.30 -0.06 0.14 -0.04 1.64 1.99 3hs9A1 LEU 776 HG 0.10 0.08 -0.22 -0.04 1.64 1.55 3hs9A1 LEU 776 HD13 -0.00 0.01 -0.20 -0.04 0.93 0.70 3hs9A1 LEU 776 HD23 0.10 -0.02 -0.26 -0.04 0.89 0.67 3hs9A1 MET 777 H 0.06 0.16 0.10 -0.55 8.47 8.25 3hs9A1 MET 777 HA 0.11 0.05 0.43 -0.75 4.52 4.35 3hs9A1 MET 777 HB2 0.04 -0.02 0.05 -0.04 2.15 2.17 3hs9A1 MET 777 HB3 0.04 0.09 0.02 -0.04 2.03 2.14 3hs9A1 MET 777 HG2 0.04 0.09 -0.03 -0.04 2.63 2.69 3hs9A1 MET 777 HG3 0.02 0.00 0.00 -0.04 2.56 2.55 3hs9A1 MET 777 HE3 0.03 0.01 0.02 -0.04 2.10 2.12 3hs9A1 PRO 778 HA 0.04 0.11 0.39 -0.51 4.44 4.47 3hs9A1 PRO 778 HB2 0.03 -0.06 0.05 -0.04 2.28 2.25 3hs9A1 PRO 778 HB3 0.03 0.18 0.04 -0.04 2.02 2.22 3hs9A1 PRO 778 HG2 0.05 0.10 0.00 -0.04 2.03 2.13 3hs9A1 PRO 778 HG3 0.05 0.07 -0.48 -0.04 2.03 1.63 3hs9A1 PRO 778 HD2 0.06 0.05 0.12 -0.04 3.68 3.87 3hs9A1 PRO 778 HD3 0.09 0.03 -0.06 -0.04 3.65 3.67 3hs9A1 ASN 779 H 0.02 0.92 0.44 -0.55 8.53 9.37 3hs9A1 ASN 779 HA 0.01 -0.02 0.32 -0.75 4.76 4.32 3hs9A1 ASN 779 HB2 0.01 0.11 -0.02 -0.04 2.88 2.94 3hs9A1 ASN 779 HB3 0.00 -0.06 0.15 -0.04 2.79 2.84 3hs9A1 ASN 779 HD21 0.01 -0.01 -0.09 -0.04 7.03 6.90 3hs9A1 ASN 779 HD22 0.01 0.03 -0.16 -0.04 7.74 7.57 3hs9A1 GLN 780 H 0.03 0.49 -0.49 -0.55 8.47 7.96 3hs9A1 GLN 780 HA 0.01 0.05 0.63 -0.75 4.36 4.29 3hs9A1 GLN 780 HB2 0.03 0.08 0.04 -0.04 2.15 2.25 3hs9A1 GLN 780 HB3 0.03 -0.09 0.05 -0.04 2.02 1.97 3hs9A1 GLN 780 HG2 0.00 -0.01 -0.02 -0.04 2.40 2.33 3hs9A1 GLN 780 HG3 0.01 0.02 0.05 -0.04 2.39 2.43 3hs9A1 GLN 780 HE21 0.01 0.04 -0.01 -0.04 6.97 6.97 3hs9A1 GLN 780 HE22 -0.00 0.02 -0.03 -0.04 7.69 7.64 3hs9A1 SER 781 H -0.00 0.23 0.19 -0.55 8.46 8.32 3hs9A1 SER 781 HA 0.00 0.27 1.06 -0.75 4.49 5.08 3hs9A1 SER 781 HB2 -0.02 0.01 -0.11 -0.04 3.95 3.79 3hs9A1 SER 781 HB3 -0.02 -0.01 0.10 -0.04 3.93 3.97 3hs9A1 ILE 782 H 0.01 0.87 0.35 -0.55 8.25 8.93 3hs9A1 ILE 782 HA -0.03 0.19 0.93 -0.75 4.18 4.52 3hs9A1 ILE 782 HB -0.06 0.05 0.00 -0.04 1.89 1.85 3hs9A1 ILE 782 HG12 -0.08 0.04 0.04 -0.04 1.49 1.45 3hs9A1 ILE 782 HG13 -0.14 -0.03 -0.21 -0.04 1.21 0.78 3hs9A1 ILE 782 HG23 -0.03 -0.01 -0.21 -0.04 0.93 0.64 3hs9A1 ILE 782 HD13 -0.15 -0.00 -0.12 -0.04 0.88 0.57 3hs9A1 ASP 783 H -0.04 0.17 0.15 -0.55 8.40 8.14 3hs9A1 ASP 783 HA -0.03 0.27 0.87 -0.75 4.63 4.99 3hs9A1 ASP 783 HB2 -0.05 -0.04 0.17 -0.04 2.71 2.75 3hs9A1 ASP 783 HB3 -0.06 0.05 -0.03 -0.04 2.70 2.62 3hs9A1 VAL 784 H 0.03 0.43 0.15 -0.55 8.24 8.30 3hs9A1 VAL 784 HA -0.04 0.17 0.83 -0.75 4.13 4.34 3hs9A1 VAL 784 HB 0.17 -0.07 0.02 -0.04 2.12 2.20 3hs9A1 VAL 784 HG13 -0.01 0.01 -0.18 -0.04 0.97 0.75 3hs9A1 VAL 784 HG23 -0.20 0.03 -0.23 -0.04 0.95 0.51 3hs9A1 SER 785 H -0.01 0.23 0.08 -0.55 8.46 8.22 3hs9A1 SER 785 HA 0.03 0.20 0.96 -0.75 4.49 4.93 3hs9A1 SER 785 HB2 -0.07 -0.00 -0.08 -0.04 3.95 3.76 3hs9A1 SER 785 HB3 -0.04 0.00 0.15 -0.04 3.93 4.01 3hs9A1 LEU 786 H 0.13 0.62 0.14 -0.55 8.37 8.72 3hs9A1 LEU 786 HA 0.10 0.14 0.58 -0.75 4.35 4.41 3hs9A1 LEU 786 HB2 0.13 -0.09 -0.01 -0.04 1.64 1.63 3hs9A1 LEU 786 HB3 0.18 0.05 0.21 -0.04 1.64 2.03 3hs9A1 LEU 786 HG 0.08 0.08 -0.23 -0.04 1.64 1.53 3hs9A1 LEU 786 HD13 0.02 0.00 -0.09 -0.04 0.93 0.82 3hs9A1 LEU 786 HD23 0.16 -0.03 -0.07 -0.04 0.89 0.91 3hs9A1 PRO 787 HA -0.13 0.18 0.59 -0.51 4.44 4.57 3hs9A1 PRO 787 HB2 -0.06 0.06 0.07 -0.04 2.28 2.32 3hs9A1 PRO 787 HB3 0.05 0.04 0.07 -0.04 2.02 2.13 3hs9A1 PRO 787 HG2 0.02 -0.10 0.05 -0.04 2.03 1.96 3hs9A1 PRO 787 HG3 0.06 0.07 0.06 -0.04 2.03 2.18 3hs9A1 PRO 787 HD2 0.05 0.04 0.22 -0.04 3.68 3.96 3hs9A1 PRO 787 HD3 0.11 0.28 0.32 -0.04 3.65 4.32 3hs9A1 LEU 788 H -0.13 0.78 0.48 -0.55 8.37 8.95 3hs9A1 LEU 788 HA 0.01 0.10 1.13 -0.75 4.35 4.83 3hs9A1 LEU 788 HB2 0.11 -0.05 -0.08 -0.04 1.64 1.58 3hs9A1 LEU 788 HB3 0.18 0.04 0.03 -0.04 1.64 1.85 3hs9A1 LEU 788 HG 0.19 -0.02 -0.19 -0.04 1.64 1.57 3hs9A1 LEU 788 HD13 0.42 -0.01 -0.23 -0.04 0.93 1.07 3hs9A1 LEU 788 HD23 0.31 0.02 -0.24 -0.04 0.89 0.95 3hs9A1 ASN 789 H 0.03 0.90 0.43 -0.55 8.53 9.34 3hs9A1 ASN 789 HA -0.00 0.12 0.63 -0.75 4.76 4.76 3hs9A1 ASN 789 HB2 -0.01 -0.04 0.14 -0.04 2.88 2.94 3hs9A1 ASN 789 HB3 -0.01 0.06 -0.11 -0.04 2.79 2.68 3hs9A1 ASN 789 HD21 -0.02 0.10 -0.22 -0.04 7.03 6.85 3hs9A1 ASN 789 HD22 -0.01 -0.05 -0.27 -0.04 7.74 7.37 3hs9A1 THR 790 H 0.01 0.16 0.08 -0.55 8.28 7.98 3hs9A1 THR 790 HA 0.06 0.33 0.87 -0.75 4.39 4.89 3hs9A1 THR 790 HB 0.06 0.24 0.19 -0.04 4.32 4.77 3hs9A1 THR 790 HG23 0.05 -0.06 -0.20 -0.04 1.22 0.97 3hs9A1 LEU 791 H 0.02 0.08 -0.17 -0.55 8.37 7.75 3hs9A1 LEU 791 HA 0.01 0.19 0.79 -0.75 4.35 4.58 3hs9A1 LEU 791 HB2 0.00 0.01 0.01 -0.04 1.64 1.62 3hs9A1 LEU 791 HB3 0.00 -0.01 0.14 -0.04 1.64 1.73 3hs9A1 LEU 791 HG 0.00 -0.15 -0.06 -0.04 1.64 1.39 3hs9A1 LEU 791 HD13 -0.00 0.00 -0.00 -0.04 0.93 0.89 3hs9A1 LEU 791 HD23 0.00 0.04 -0.05 -0.04 0.89 0.84 3hs9A1 GLY 792 H 0.03 0.43 -0.19 -0.55 8.43 8.15 3hs9A1 GLY 792 HA2 0.01 0.05 0.21 -0.51 4.01 3.77 3hs9A1 GLY 792 HA3 0.03 0.05 0.09 -0.51 4.01 3.67 3hs9A1 PRO 793 HA 0.00 -0.00 0.44 -0.51 4.44 4.37 3hs9A1 PRO 793 HB2 0.01 -0.02 -0.02 -0.04 2.28 2.20 3hs9A1 PRO 793 HB3 0.01 0.01 0.10 -0.04 2.02 2.09 3hs9A1 PRO 793 HG2 0.03 0.05 0.03 -0.04 2.03 2.10 3hs9A1 PRO 793 HG3 0.01 0.02 0.06 -0.04 2.03 2.08 3hs9A1 PRO 793 HD2 0.02 0.10 0.13 -0.04 3.68 3.89 3hs9A1 PRO 793 HD3 0.01 0.12 0.13 -0.04 3.65 3.86 3hs9A1 VAL 794 H -0.01 0.09 0.21 -0.55 8.24 7.98 3hs9A1 VAL 794 HA -0.02 0.23 0.64 -0.75 4.13 4.23 3hs9A1 VAL 794 HB -0.03 -0.06 0.10 -0.04 2.12 2.08 3hs9A1 VAL 794 HG13 -0.08 0.01 -0.14 -0.04 0.97 0.71 3hs9A1 VAL 794 HG23 -0.02 0.04 -0.10 -0.04 0.95 0.83 3hs9A1 MET 795 H -0.05 0.27 -0.44 -0.55 8.47 7.70 3hs9A1 MET 795 HA -0.04 0.01 0.15 -0.75 4.52 3.88 3hs9A1 MET 795 HB2 -0.02 0.07 0.11 -0.04 2.15 2.27 3hs9A1 MET 795 HB3 -0.02 -0.08 -0.38 -0.04 2.03 1.51 3hs9A1 MET 795 HG2 -0.02 0.03 -0.36 -0.04 2.63 2.23 3hs9A1 MET 795 HG3 -0.03 0.14 -0.57 -0.04 2.56 2.05 3hs9A1 MET 795 HE3 -0.02 0.01 -0.04 -0.04 2.10 2.01 3hs9A1 LYS 796 H -0.06 0.14 0.04 -0.55 8.42 7.98 3hs9A1 LYS 796 HA -0.11 -0.05 0.54 -0.75 4.32 3.95 3hs9A1 LYS 796 HB2 -0.09 0.00 0.14 -0.04 1.87 1.88 3hs9A1 LYS 796 HB3 -0.05 0.00 0.13 -0.04 1.79 1.83 3hs9A1 LYS 796 HG2 -0.05 0.15 -0.18 -0.04 1.46 1.35 3hs9A1 LYS 796 HG3 -0.10 -0.04 0.08 -0.04 1.46 1.37 3hs9A1 LYS 796 HD2 -0.05 -0.03 0.02 -0.04 1.69 1.58 3hs9A1 LYS 796 HD3 -0.04 -0.00 0.00 -0.04 1.68 1.60 3hs9A1 LYS 796 HE2 -0.01 0.07 -0.07 -0.04 2.99 2.95 3hs9A1 LYS 796 HE3 -0.01 -0.05 -0.01 -0.04 2.99 2.89 3hs9A1 MET 797 H -0.07 0.07 0.31 -0.55 8.47 8.24 3hs9A1 MET 797 HA -0.02 0.15 0.64 -0.75 4.52 4.54 3hs9A1 MET 797 HB2 -0.04 0.04 0.05 -0.04 2.15 2.17 3hs9A1 MET 797 HB3 -0.02 -0.02 0.01 -0.04 2.03 1.96 3hs9A1 MET 797 HG2 -0.04 0.10 0.18 -0.04 2.63 2.84 3hs9A1 MET 797 HG3 -0.04 0.16 0.19 -0.04 2.56 2.83 3hs9A1 MET 797 HE3 -0.03 -0.01 -0.08 -0.04 2.10 1.94 3hs9A1 GLU 798 H -0.00 0.25 0.04 -0.55 8.60 8.34 3hs9A1 GLU 798 HA 0.04 -0.05 0.51 -0.75 4.29 4.03 3hs9A1 GLU 798 HB2 0.02 0.06 -0.09 -0.04 2.09 2.04 3hs9A1 GLU 798 HB3 0.01 0.02 0.10 -0.04 1.99 2.08 3hs9A1 GLU 798 HG2 0.03 0.01 -0.02 -0.04 2.34 2.31 3hs9A1 GLU 798 HG3 0.03 0.02 -0.16 -0.04 2.34 2.20 3hs9A1 PRO 799 HA 0.13 0.10 0.34 -0.51 4.44 4.50 3hs9A1 PRO 799 HB2 0.14 -0.11 -0.06 -0.04 2.28 2.21 3hs9A1 PRO 799 HB3 0.22 0.07 0.07 -0.04 2.02 2.33 3hs9A1 PRO 799 HG2 0.07 0.06 0.05 -0.04 2.03 2.16 3hs9A1 PRO 799 HG3 0.07 0.07 0.05 -0.04 2.03 2.19 3hs9A1 PRO 799 HD2 0.03 0.02 0.13 -0.04 3.68 3.81 3hs9A1 PRO 799 HD3 0.03 0.24 0.55 -0.04 3.65 4.44 3hs9A1 LEU 800 H 0.18 0.16 0.12 -0.55 8.37 8.28 3hs9A1 LEU 800 HA -0.07 0.26 0.23 -0.75 4.35 4.01 3hs9A1 LEU 800 HB2 -0.10 0.04 0.16 -0.04 1.64 1.69 3hs9A1 LEU 800 HB3 -0.98 -0.02 0.09 -0.04 1.64 0.69 3hs9A1 LEU 800 HG -0.10 -0.00 -0.02 -0.04 1.64 1.47 3hs9A1 LEU 800 HD13 -0.14 -0.01 0.10 -0.04 0.93 0.85 3hs9A1 LEU 800 HD23 -0.13 0.00 -0.06 -0.04 0.89 0.66 3hs9A1 ASN 801 H -0.07 -0.02 -0.58 -0.55 8.53 7.31 3hs9A1 ASN 801 HA -0.03 0.18 0.72 -0.75 4.76 4.87 3hs9A1 ASN 801 HB2 -0.16 0.15 0.13 -0.04 2.88 2.97 3hs9A1 ASN 801 HB3 -0.23 -0.08 -0.07 -0.04 2.79 2.37 3hs9A1 ASN 801 HD21 0.07 -0.07 -0.21 -0.04 7.03 6.79 3hs9A1 ASN 801 HD22 -0.05 0.71 -0.01 -0.04 7.74 8.35 3hs9A1 ASN 802 H -0.03 0.43 -0.12 -0.55 8.53 8.27 3hs9A1 ASN 802 HA -0.07 0.08 0.53 -0.75 4.76 4.54 3hs9A1 ASN 802 HB2 -0.00 -0.05 0.01 -0.04 2.88 2.80 3hs9A1 ASN 802 HB3 -0.03 -0.00 -0.08 -0.04 2.79 2.64 3hs9A1 ASN 802 HD21 -0.03 -0.01 -0.12 -0.04 7.03 6.83 3hs9A1 ASN 802 HD22 -0.03 -0.01 -0.18 -0.04 7.74 7.49 3hs9A1 LEU 803 H -0.15 0.54 0.35 -0.55 8.37 8.56 3hs9A1 LEU 803 HA -0.15 0.14 0.78 -0.75 4.35 4.36 3hs9A1 LEU 803 HB2 -0.24 -0.01 -0.04 -0.04 1.64 1.31 3hs9A1 LEU 803 HB3 -0.29 0.04 0.16 -0.04 1.64 1.50 3hs9A1 LEU 803 HG -0.56 0.01 -0.31 -0.04 1.64 0.74 3hs9A1 LEU 803 HD13 -0.32 -0.01 -0.02 -0.04 0.93 0.54 3hs9A1 LEU 803 HD23 -0.78 -0.02 -0.15 -0.04 0.89 -0.10 3hs9A1 GLN 804 H -0.12 0.23 0.10 -0.55 8.47 8.14 3hs9A1 GLN 804 HA -0.16 0.19 0.99 -0.75 4.36 4.63 3hs9A1 GLN 804 HB2 -0.04 -0.06 0.15 -0.04 2.15 2.17 3hs9A1 GLN 804 HB3 -0.01 0.06 0.01 -0.04 2.02 2.03 3hs9A1 GLN 804 HG2 -0.03 0.02 -0.03 -0.04 2.40 2.31 3hs9A1 GLN 804 HG3 -0.05 -0.03 -0.11 -0.04 2.39 2.16 3hs9A1 GLN 804 HE21 -0.02 -0.01 -0.02 -0.04 6.97 6.88 3hs9A1 GLN 804 HE22 -0.02 0.00 -0.03 -0.04 7.69 7.61 3hs9A1 VAL 805 H -0.37 0.83 0.45 -0.55 8.24 8.60 3hs9A1 VAL 805 HA -0.14 0.27 0.99 -0.75 4.13 4.49 3hs9A1 VAL 805 HB -1.63 0.00 -0.03 -0.04 2.12 0.42 3hs9A1 VAL 805 HG13 -0.09 -0.01 -0.15 -0.04 0.97 0.69 3hs9A1 VAL 805 HG23 -0.58 -0.00 -0.30 -0.04 0.95 0.02 3hs9A1 ALA 806 H -0.06 0.54 0.35 -0.55 8.40 8.68 3hs9A1 ALA 806 HA -0.27 0.30 0.89 -0.75 4.34 4.50 3hs9A1 ALA 806 HB3 -0.34 -0.02 0.01 -0.04 1.41 1.02 3hs9A1 VAL 807 H 0.09 0.76 0.34 -0.55 8.24 8.89 3hs9A1 VAL 807 HA 0.18 0.33 1.16 -0.75 4.13 5.04 3hs9A1 VAL 807 HB 0.41 -0.01 0.08 -0.04 2.12 2.56 3hs9A1 VAL 807 HG13 0.54 -0.02 -0.12 -0.04 0.97 1.33 3hs9A1 VAL 807 HG23 0.39 -0.02 -0.11 -0.04 0.95 1.16 3hs9A1 LYS 808 H 0.15 0.60 0.42 -0.55 8.42 9.04 3hs9A1 LYS 808 HA -0.07 0.25 1.15 -0.75 4.32 4.90 3hs9A1 LYS 808 HB2 -0.03 -0.07 -0.01 -0.04 1.87 1.71 3hs9A1 LYS 808 HB3 0.01 -0.04 0.13 -0.04 1.79 1.85 3hs9A1 LYS 808 HG2 -0.09 0.26 0.08 -0.04 1.46 1.66 3hs9A1 LYS 808 HG3 -0.09 -0.10 -0.04 -0.04 1.46 1.18 3hs9A1 LYS 808 HD2 -0.04 -0.08 -0.07 -0.04 1.69 1.45 3hs9A1 LYS 808 HD3 -0.03 -0.01 -0.10 -0.04 1.68 1.51 3hs9A1 LYS 808 HE2 -0.04 -0.10 -0.09 -0.04 2.99 2.72 3hs9A1 LYS 808 HE3 -0.07 0.14 -0.14 -0.04 2.99 2.88 3hs9A1 ASN 809 H -0.09 0.47 0.33 -0.55 8.53 8.69 3hs9A1 ASN 809 HA -0.38 0.35 0.17 -0.75 4.76 4.15 3hs9A1 ASN 809 HB2 -0.69 -0.05 0.23 -0.04 2.88 2.33 3hs9A1 ASN 809 HB3 -0.71 0.04 0.05 -0.04 2.79 2.13 3hs9A1 ASN 809 HD21 0.20 0.06 -0.01 -0.04 7.03 7.23 3hs9A1 ASN 809 HD22 0.01 0.01 -0.00 -0.04 7.74 7.72 3hs9A1 ASN 810 H -0.27 0.29 0.26 -0.55 8.53 8.27 3hs9A1 ASN 810 HA -0.10 0.12 0.49 -0.75 4.76 4.52 3hs9A1 ASN 810 HB2 -0.08 0.02 0.10 -0.04 2.88 2.88 3hs9A1 ASN 810 HB3 -0.11 -0.05 0.00 -0.04 2.79 2.59 3hs9A1 ASN 810 HD21 -0.24 0.17 0.02 -0.04 7.03 6.94 3hs9A1 ASN 810 HD22 -0.13 0.01 -0.08 -0.04 7.74 7.50 3hs9A1 ILE 811 H -0.08 -0.08 -0.46 -0.55 8.25 7.09 3hs9A1 ILE 811 HA -0.03 0.17 0.59 -0.75 4.18 4.16 3hs9A1 ILE 811 HB 0.16 -0.03 0.05 -0.04 1.89 2.03 3hs9A1 ILE 811 HG12 -0.05 -0.13 -0.04 -0.04 1.49 1.23 3hs9A1 ILE 811 HG13 0.03 0.05 -0.02 -0.04 1.21 1.24 3hs9A1 ILE 811 HG23 0.10 0.00 -0.10 -0.04 0.93 0.89 3hs9A1 ILE 811 HD13 -0.04 0.03 -0.07 -0.04 0.88 0.75 3hs9A1 ASP 812 H -0.17 0.08 0.10 -0.55 8.40 7.86 3hs9A1 ASP 812 HA -0.22 0.14 0.53 -0.75 4.63 4.33 3hs9A1 ASP 812 HB2 -0.14 0.04 -0.47 -0.04 2.71 2.10 3hs9A1 ASP 812 HB3 -1.15 -0.00 -0.15 -0.04 2.70 1.36 3hs9A1 VAL 813 H -0.34 0.19 0.18 -0.55 8.24 7.72 3hs9A1 VAL 813 HA -0.30 0.23 1.00 -0.75 4.13 4.30 3hs9A1 VAL 813 HB -0.13 -0.03 0.13 -0.04 2.12 2.05 3hs9A1 VAL 813 HG13 -0.35 -0.00 -0.19 -0.04 0.97 0.38 3hs9A1 VAL 813 HG23 -0.12 -0.00 -0.06 -0.04 0.95 0.73 3hs9A1 PHE 814 H -0.10 0.91 0.34 -0.55 8.34 8.95 3hs9A1 PHE 814 HA 0.11 0.15 1.01 -0.75 4.62 5.13 3hs9A1 PHE 814 HB2 0.14 -0.04 0.06 -0.04 3.15 3.27 3hs9A1 PHE 814 HB3 0.14 0.07 0.00 -0.04 3.06 3.23 3hs9A1 PHE 814 HD2 0.10 0.07 -0.03 -0.04 7.28 7.38 3hs9A1 PHE 814 HE2 0.05 -0.04 -0.09 -0.04 7.38 7.26 3hs9A1 PHE 814 HZ 0.03 -0.02 -0.23 -0.04 7.32 7.06 3hs9A1 TYR 815 H 0.41 0.19 0.22 -0.55 8.29 8.56 3hs9A1 TYR 815 HA 0.04 0.30 0.96 -0.75 4.56 5.11 3hs9A1 TYR 815 HB2 0.08 -0.04 0.18 -0.04 3.06 3.24 3hs9A1 TYR 815 HB3 0.02 0.03 0.05 -0.04 2.98 3.04 3hs9A1 TYR 815 HD2 0.02 0.04 -0.02 -0.04 7.15 7.15 3hs9A1 TYR 815 HE2 -0.01 0.00 -0.07 -0.04 6.85 6.73 3hs9A1 PHE 816 H -0.19 0.64 0.38 -0.55 8.34 8.61 3hs9A1 PHE 816 HA 0.07 0.11 0.55 -0.75 4.62 4.60 3hs9A1 PHE 816 HB2 0.04 0.18 0.20 -0.04 3.15 3.54 3hs9A1 PHE 816 HB3 0.08 0.02 -0.13 -0.04 3.06 3.00 3hs9A1 PHE 816 HD2 -0.04 0.10 -0.35 -0.04 7.28 6.94 3hs9A1 PHE 816 HE2 -0.26 -0.01 -0.24 -0.04 7.38 6.83 3hs9A1 PHE 816 HZ 0.21 -0.02 -0.21 -0.04 7.32 7.26 3hs9A1 SER 817 H 0.20 0.27 0.27 -0.55 8.46 8.64 3hs9A1 SER 817 HA -0.17 0.33 1.19 -0.75 4.49 5.09 3hs9A1 SER 817 HB2 0.00 -0.03 0.04 -0.04 3.95 3.93 3hs9A1 SER 817 HB3 -0.06 0.01 0.06 -0.04 3.93 3.90 3hs9A1 CYS 818 H -0.23 0.59 0.38 -0.55 8.50 8.69 3hs9A1 CYS 818 HA -0.17 0.12 0.55 -0.75 4.58 4.33 3hs9A1 CYS 818 HB2 -0.68 0.02 -0.02 -0.04 2.97 2.25 3hs9A1 CYS 818 HB3 -1.35 0.12 -0.06 -0.04 2.97 1.64 3hs9A1 LEU 819 H 0.01 0.21 0.09 -0.55 8.37 8.14 3hs9A1 LEU 819 HA -0.08 0.19 0.69 -0.75 4.35 4.40 3hs9A1 LEU 819 HB2 0.05 0.02 0.06 -0.04 1.64 1.73 3hs9A1 LEU 819 HB3 0.02 0.01 -0.16 -0.04 1.64 1.47 3hs9A1 LEU 819 HG 0.02 -0.03 -0.11 -0.04 1.64 1.48 3hs9A1 LEU 819 HD13 0.06 0.01 -0.04 -0.04 0.93 0.92 3hs9A1 LEU 819 HD23 0.03 -0.01 -0.18 -0.04 0.89 0.69 3hs9A1 ILE 820 H -0.24 0.57 0.22 -0.55 8.25 8.25 3hs9A1 ILE 820 HA -0.87 0.10 0.47 -0.75 4.18 3.12 3hs9A1 ILE 820 HB -0.37 -0.08 0.03 -0.04 1.89 1.44 3hs9A1 ILE 820 HG12 -0.68 -0.02 -0.08 -0.04 1.49 0.68 3hs9A1 ILE 820 HG13 -0.30 0.26 0.11 -0.04 1.21 1.24 3hs9A1 ILE 820 HG23 -0.73 0.02 -0.18 -0.04 0.93 -0.01 3hs9A1 ILE 820 HD13 -0.22 -0.02 -0.10 -0.04 0.88 0.50 3hs9A1 PRO 821 HA -0.06 0.03 0.54 -0.51 4.44 4.44 3hs9A1 PRO 821 HB2 -0.06 -0.04 0.02 -0.04 2.28 2.15 3hs9A1 PRO 821 HB3 0.03 0.08 0.12 -0.04 2.02 2.21 3hs9A1 PRO 821 HG2 -0.09 -0.05 0.12 -0.04 2.03 1.97 3hs9A1 PRO 821 HG3 0.11 0.08 0.13 -0.04 2.03 2.31 3hs9A1 PRO 821 HD2 -0.47 0.04 0.23 -0.04 3.68 3.44 3hs9A1 PRO 821 HD3 0.09 0.27 0.23 -0.04 3.65 4.21 3hs9A1 LEU 822 H -0.11 0.18 0.13 -0.55 8.37 8.03 3hs9A1 LEU 822 HA -0.35 0.08 -0.00 -0.75 4.35 3.33 3hs9A1 LEU 822 HB2 -0.00 0.05 0.02 -0.04 1.64 1.67 3hs9A1 LEU 822 HB3 0.05 0.02 -0.14 -0.04 1.64 1.53 3hs9A1 LEU 822 HG -0.37 -0.01 -0.04 -0.04 1.64 1.18 3hs9A1 LEU 822 HD13 -0.12 0.05 -0.02 -0.04 0.93 0.80 3hs9A1 LEU 822 HD23 0.09 -0.02 -0.12 -0.04 0.89 0.80 3hs9A1 ASN 823 H -0.41 0.06 -0.47 -0.55 8.53 7.16 3hs9A1 ASN 823 HA -2.72 0.10 0.33 -0.75 4.76 1.72 3hs9A1 ASN 823 HB2 -0.47 0.13 0.08 -0.04 2.88 2.58 3hs9A1 ASN 823 HB3 -0.48 -0.04 0.03 -0.04 2.79 2.25 3hs9A1 ASN 823 HD21 -0.03 0.27 0.00 -0.04 7.03 7.23 3hs9A1 ASN 823 HD22 -0.10 -0.03 -0.05 -0.04 7.74 7.52 3hs9A1 VAL 824 H -0.35 0.42 -0.36 -0.55 8.24 7.40 3hs9A1 VAL 824 HA -0.16 0.11 0.38 -0.75 4.13 3.71 3hs9A1 VAL 824 HB 0.06 0.05 -0.13 -0.04 2.12 2.05 3hs9A1 VAL 824 HG13 0.02 -0.03 -0.23 -0.04 0.97 0.68 3hs9A1 VAL 824 HG23 -0.18 0.08 -0.14 -0.04 0.95 0.67 3hs9A1 LEU 825 H -0.39 0.27 -0.38 -0.55 8.37 7.33 3hs9A1 LEU 825 HA -0.14 0.13 0.52 -0.75 4.35 4.10 3hs9A1 LEU 825 HB2 -0.37 0.15 0.05 -0.04 1.64 1.44 3hs9A1 LEU 825 HB3 -0.28 -0.21 0.14 -0.04 1.64 1.25 3hs9A1 LEU 825 HG -0.35 -0.00 -0.16 -0.04 1.64 1.09 3hs9A1 LEU 825 HD13 -0.80 -0.02 -0.08 -0.04 0.93 -0.01 3hs9A1 LEU 825 HD23 -0.13 0.02 -0.17 -0.04 0.89 0.57 3hs9A1 PHE 826 H -0.30 0.32 -0.54 -0.55 8.34 7.27 3hs9A1 PHE 826 HA -0.15 0.05 0.62 -0.75 4.62 4.40 3hs9A1 PHE 826 HB2 -0.18 0.18 0.08 -0.04 3.15 3.19 3hs9A1 PHE 826 HB3 -0.09 0.05 0.00 -0.04 3.06 2.99 3hs9A1 PHE 826 HD2 -0.12 0.16 -0.21 -0.04 7.28 7.07 3hs9A1 PHE 826 HE2 -0.08 -0.06 -0.21 -0.04 7.38 6.99 3hs9A1 PHE 826 HZ -0.01 -0.08 -0.19 -0.04 7.32 7.00 3hs9A1 VAL 827 H -0.03 0.62 0.26 -0.55 8.24 8.54 3hs9A1 VAL 827 HA 0.01 0.17 0.57 -0.75 4.13 4.13 3hs9A1 VAL 827 HB 0.01 -0.10 0.03 -0.04 2.12 2.02 3hs9A1 VAL 827 HG13 -0.02 0.03 -0.16 -0.04 0.97 0.79 3hs9A1 VAL 827 HG23 -0.11 0.01 -0.13 -0.04 0.95 0.68 3hs9A1 GLU 828 H 0.12 0.16 0.12 -0.55 8.60 8.46 3hs9A1 GLU 828 HA 0.21 0.12 0.27 -0.75 4.29 4.14 3hs9A1 GLU 828 HB2 0.12 -0.01 0.13 -0.04 2.09 2.29 3hs9A1 GLU 828 HB3 0.11 -0.00 0.02 -0.04 1.99 2.08 3hs9A1 GLU 828 HG2 0.16 0.02 0.08 -0.04 2.34 2.56 3hs9A1 GLU 828 HG3 0.22 0.03 0.04 -0.04 2.34 2.59 3hs9A1 ASP 829 H 0.03 0.12 -1.07 -0.55 8.40 6.94 3hs9A1 ASP 829 HA -0.02 0.16 0.68 -0.75 4.63 4.69 3hs9A1 ASP 829 HB2 0.02 -0.03 -0.12 -0.04 2.71 2.54 3hs9A1 ASP 829 HB3 -0.02 0.04 0.04 -0.04 2.70 2.71 3hs9A1 GLY 830 H 0.04 0.28 -0.14 -0.55 8.43 8.07 3hs9A1 GLY 830 HA2 -0.28 0.13 0.51 -0.51 4.01 3.86 3hs9A1 GLY 830 HA3 0.07 0.04 0.30 -0.51 4.01 3.91 3hs9A1 LYS 831 H -0.45 0.10 -0.18 -0.55 8.42 7.34 3hs9A1 LYS 831 HA 0.02 0.05 0.52 -0.75 4.32 4.15 3hs9A1 LYS 831 HB2 -1.40 0.01 0.06 -0.04 1.87 0.51 3hs9A1 LYS 831 HB3 -0.32 -0.01 0.13 -0.04 1.79 1.55 3hs9A1 LYS 831 HG2 -0.03 0.13 -0.17 -0.04 1.46 1.34 3hs9A1 LYS 831 HG3 0.01 -0.05 -0.06 -0.04 1.46 1.32 3hs9A1 LYS 831 HD2 -0.10 0.01 -0.00 -0.04 1.69 1.56 3hs9A1 LYS 831 HD3 -0.08 -0.03 -0.01 -0.04 1.68 1.52 3hs9A1 LYS 831 HE2 0.03 -0.00 -0.01 -0.04 2.99 2.96 3hs9A1 LYS 831 HE3 0.09 0.04 -0.02 -0.04 2.99 3.06 3hs9A1 MET 832 H 0.31 0.24 0.18 -0.55 8.47 8.66 3hs9A1 MET 832 HA -0.04 0.03 0.39 -0.75 4.52 4.15 3hs9A1 MET 832 HB2 -0.06 0.09 0.09 -0.04 2.15 2.24 3hs9A1 MET 832 HB3 0.19 -0.05 -0.03 -0.04 2.03 2.09 3hs9A1 MET 832 HG2 -0.10 -0.00 -0.17 -0.04 2.63 2.31 3hs9A1 MET 832 HG3 -0.47 -0.02 -0.01 -0.04 2.56 2.02 3hs9A1 MET 832 HE3 -1.57 0.01 -0.05 -0.04 2.10 0.45 3hs9A1 GLU 833 H -0.04 0.10 0.14 -0.55 8.60 8.25 3hs9A1 GLU 833 HA 0.01 0.20 0.67 -0.75 4.29 4.42 3hs9A1 GLU 833 HB2 -0.01 0.14 0.14 -0.04 2.09 2.32 3hs9A1 GLU 833 HB3 -0.02 -0.15 0.09 -0.04 1.99 1.87 3hs9A1 GLU 833 HG2 0.00 0.01 0.15 -0.04 2.34 2.47 3hs9A1 GLU 833 HG3 -0.00 0.11 0.06 -0.04 2.34 2.47 3hs9A1 ARG 834 H 0.01 0.22 0.16 -0.55 8.46 8.29 3hs9A1 ARG 834 HA 0.03 0.12 0.17 -0.75 4.34 3.90 3hs9A1 ARG 834 HB2 -0.02 -0.03 0.11 -0.04 1.90 1.91 3hs9A1 ARG 834 HB3 -0.05 0.05 0.04 -0.04 1.80 1.80 3hs9A1 ARG 834 HG2 -0.02 0.16 0.09 -0.04 1.67 1.85 3hs9A1 ARG 834 HG3 -0.01 -0.07 0.18 -0.04 1.67 1.73 3hs9A1 ARG 834 HD2 -0.01 0.07 0.10 -0.04 3.22 3.33 3hs9A1 ARG 834 HD3 -0.02 -0.06 0.07 -0.04 3.22 3.17 3hs9A1 GLN 835 H 0.00 0.12 -0.03 -0.55 8.47 8.02 3hs9A1 GLN 835 HA 0.00 0.11 0.47 -0.75 4.36 4.19 3hs9A1 GLN 835 HB2 -0.01 -0.00 0.01 -0.04 2.15 2.11 3hs9A1 GLN 835 HB3 -0.01 0.07 0.03 -0.04 2.02 2.07 3hs9A1 GLN 835 HG2 -0.01 -0.04 0.07 -0.04 2.40 2.38 3hs9A1 GLN 835 HG3 -0.01 0.07 0.02 -0.04 2.39 2.44 3hs9A1 GLN 835 HE21 -0.02 0.07 -0.04 -0.04 6.97 6.93 3hs9A1 GLN 835 HE22 -0.01 -0.04 0.02 -0.04 7.69 7.62 3hs9A1 VAL 836 H -0.01 0.02 -0.33 -0.55 8.24 7.38 3hs9A1 VAL 836 HA -0.06 0.08 0.47 -0.75 4.13 3.87 3hs9A1 VAL 836 HB -0.09 0.07 0.07 -0.04 2.12 2.12 3hs9A1 VAL 836 HG13 -0.17 0.02 -0.01 -0.04 0.97 0.77 3hs9A1 VAL 836 HG23 -0.04 -0.01 0.02 -0.04 0.95 0.87 3hs9A1 PHE 837 H 0.11 0.74 -0.12 -0.55 8.34 8.52 3hs9A1 PHE 837 HA -0.05 0.02 0.43 -0.75 4.62 4.26 3hs9A1 PHE 837 HB2 -0.03 0.01 -0.09 -0.04 3.15 3.01 3hs9A1 PHE 837 HB3 -0.05 0.12 0.08 -0.04 3.06 3.17 3hs9A1 PHE 837 HD2 -0.00 0.02 -0.26 -0.04 7.28 6.99 3hs9A1 PHE 837 HE2 -0.05 0.03 -0.16 -0.04 7.38 7.17 3hs9A1 PHE 837 HZ 0.25 0.11 -0.07 -0.04 7.32 7.56 3hs9A1 LEU 838 H 0.15 0.75 -0.01 -0.55 8.37 8.71 3hs9A1 LEU 838 HA 0.13 0.01 0.35 -0.75 4.35 4.08 3hs9A1 LEU 838 HB2 0.03 0.12 0.18 -0.04 1.64 1.93 3hs9A1 LEU 838 HB3 0.02 0.08 0.16 -0.04 1.64 1.85 3hs9A1 LEU 838 HG -0.02 -0.01 0.02 -0.04 1.64 1.58 3hs9A1 LEU 838 HD13 -0.05 -0.02 -0.03 -0.04 0.93 0.79 3hs9A1 LEU 838 HD23 -0.00 -0.00 -0.09 -0.04 0.89 0.75 3hs9A1 ALA 839 H 0.00 0.61 -0.12 -0.55 8.40 8.35 3hs9A1 ALA 839 HA 0.00 0.04 0.36 -0.75 4.34 3.98 3hs9A1 ALA 839 HB3 -0.03 -0.01 0.07 -0.04 1.41 1.41 3hs9A1 THR 840 H -0.09 0.51 -0.23 -0.55 8.28 7.92 3hs9A1 THR 840 HA -0.12 0.02 0.51 -0.75 4.39 4.05 3hs9A1 THR 840 HB -0.28 0.07 0.16 -0.04 4.32 4.23 3hs9A1 THR 840 HG23 -0.25 -0.02 -0.06 -0.04 1.22 0.84 3hs9A1 TRP 841 H -0.06 0.83 0.00 -0.55 7.97 8.19 3hs9A1 TRP 841 HA -0.21 0.01 0.44 -0.75 4.62 4.10 3hs9A1 TRP 841 HB2 -0.50 -0.03 0.04 -0.04 3.23 2.70 3hs9A1 TRP 841 HB3 -0.09 0.06 0.06 -0.04 3.23 3.21 3hs9A1 TRP 841 HD1 -0.01 0.04 -0.38 -0.04 7.22 6.83 3hs9A1 TRP 841 HE1 0.04 -0.02 -0.10 -0.04 10.20 10.08 3hs9A1 TRP 841 HE3 -0.27 -0.03 -0.09 -0.04 7.59 7.16 3hs9A1 TRP 841 HZ2 0.08 -0.01 -0.12 -0.04 7.44 7.34 3hs9A1 TRP 841 HZ3 0.22 -0.04 -0.59 -0.04 7.13 6.68 3hs9A1 TRP 841 HH2 0.12 0.10 -0.25 -0.04 7.19 7.12 3hs9A1 LYS 842 H 0.14 0.49 -0.17 -0.55 8.42 8.33 3hs9A1 LYS 842 HA 0.11 -0.01 0.43 -0.75 4.32 4.09 3hs9A1 LYS 842 HB2 0.08 -0.01 0.10 -0.04 1.87 2.00 3hs9A1 LYS 842 HB3 0.03 0.14 0.11 -0.04 1.79 2.02 3hs9A1 LYS 842 HG2 0.01 0.02 -0.10 -0.04 1.46 1.36 3hs9A1 LYS 842 HG3 0.04 -0.05 0.03 -0.04 1.46 1.44 3hs9A1 LYS 842 HD2 0.02 -0.05 -0.02 -0.04 1.69 1.60 3hs9A1 LYS 842 HD3 0.01 0.00 -0.02 -0.04 1.68 1.64 3hs9A1 LYS 842 HE2 0.00 0.03 -0.05 -0.04 2.99 2.93 3hs9A1 LYS 842 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 3hs9A1 ASP 843 H -0.06 0.13 -0.58 -0.55 8.40 7.35 3hs9A1 ASP 843 HA -0.05 -0.02 0.19 -0.75 4.63 3.99 3hs9A1 ASP 843 HB2 -0.08 0.06 0.28 -0.04 2.71 2.93 3hs9A1 ASP 843 HB3 -0.08 -0.07 -0.05 -0.04 2.70 2.45 3hs9A1 ILE 844 H -0.17 0.47 0.01 -0.55 8.25 8.01 3hs9A1 ILE 844 HA -0.11 -0.04 0.39 -0.75 4.18 3.67 3hs9A1 ILE 844 HB -0.33 0.07 0.03 -0.04 1.89 1.62 3hs9A1 ILE 844 HG12 -0.14 -0.12 -0.25 -0.04 1.49 0.94 3hs9A1 ILE 844 HG13 -0.11 -0.04 -0.01 -0.04 1.21 1.00 3hs9A1 ILE 844 HG23 -0.18 0.03 -0.21 -0.04 0.93 0.52 3hs9A1 ILE 844 HD13 -0.19 0.04 -0.05 -0.04 0.88 0.64 3hs9A1 PRO 845 HA -0.06 0.03 0.56 -0.51 4.44 4.45 3hs9A1 PRO 845 HB2 -0.06 -0.05 0.06 -0.04 2.28 2.19 3hs9A1 PRO 845 HB3 -0.04 -0.02 0.12 -0.04 2.02 2.03 3hs9A1 PRO 845 HG2 -0.04 0.03 0.13 -0.04 2.03 2.10 3hs9A1 PRO 845 HG3 -0.04 0.04 0.15 -0.04 2.03 2.13 3hs9A1 PRO 845 HD2 -0.07 0.02 0.26 -0.04 3.68 3.85 3hs9A1 PRO 845 HD3 -0.06 0.25 0.22 -0.04 3.65 4.02 3hs9A1 ASN 846 H -0.05 0.11 0.21 -0.55 8.53 8.25 3hs9A1 ASN 846 HA -0.11 0.23 0.28 -0.75 4.76 4.42 3hs9A1 ASN 846 HB2 -0.03 -0.05 0.07 -0.04 2.88 2.84 3hs9A1 ASN 846 HB3 -0.02 0.02 0.12 -0.04 2.79 2.86 3hs9A1 ASN 846 HD21 -0.01 0.04 0.05 -0.04 7.03 7.06 3hs9A1 ASN 846 HD22 -0.01 -0.06 0.05 -0.04 7.74 7.68 3hs9A1 GLU 847 H -0.05 0.04 -0.15 -0.55 8.60 7.89 3hs9A1 GLU 847 HA -0.04 0.18 0.69 -0.75 4.29 4.36 3hs9A1 GLU 847 HB2 -0.03 0.03 0.12 -0.04 2.09 2.17 3hs9A1 GLU 847 HB3 -0.03 -0.01 0.09 -0.04 1.99 2.00 3hs9A1 GLU 847 HG2 -0.04 -0.12 -0.01 -0.04 2.34 2.13 3hs9A1 GLU 847 HG3 -0.04 0.09 -0.28 -0.04 2.34 2.08 3hs9A1 ASN 848 H -0.08 0.33 -0.51 -0.55 8.53 7.73 3hs9A1 ASN 848 HA -0.04 0.08 0.73 -0.75 4.76 4.77 3hs9A1 ASN 848 HB2 -0.10 0.37 0.06 -0.04 2.88 3.17 3hs9A1 ASN 848 HB3 -0.09 0.10 0.20 -0.04 2.79 2.97 3hs9A1 ASN 848 HD21 -0.03 -0.00 0.13 -0.04 7.03 7.08 3hs9A1 ASN 848 HD22 -0.05 -0.01 0.16 -0.04 7.74 7.80 3hs9A1 GLU 849 H -0.09 0.21 -0.41 -0.55 8.60 7.76 3hs9A1 GLU 849 HA -0.14 0.27 1.02 -0.75 4.29 4.69 3hs9A1 GLU 849 HB2 -0.19 0.02 0.03 -0.04 2.09 1.90 3hs9A1 GLU 849 HB3 -0.05 0.06 0.11 -0.04 1.99 2.07 3hs9A1 GLU 849 HG2 0.06 -0.05 -0.24 -0.04 2.34 2.06 3hs9A1 GLU 849 HG3 -0.08 0.00 -0.19 -0.04 2.34 2.03 3hs9A1 LEU 850 H 0.02 0.68 0.33 -0.55 8.37 8.86 3hs9A1 LEU 850 HA -0.09 0.17 0.95 -0.75 4.35 4.62 3hs9A1 LEU 850 HB2 0.16 -0.05 0.05 -0.04 1.64 1.76 3hs9A1 LEU 850 HB3 -0.24 -0.01 0.03 -0.04 1.64 1.38 3hs9A1 LEU 850 HG -0.01 0.01 -0.73 -0.04 1.64 0.87 3hs9A1 LEU 850 HD13 0.08 -0.04 -0.03 -0.04 0.93 0.90 3hs9A1 LEU 850 HD23 -0.08 0.02 0.04 -0.04 0.89 0.82 3hs9A1 GLN 851 H -0.30 0.19 0.20 -0.55 8.47 8.01 3hs9A1 GLN 851 HA -0.02 0.32 1.00 -0.75 4.36 4.90 3hs9A1 GLN 851 HB2 -0.15 -0.02 0.07 -0.04 2.15 2.00 3hs9A1 GLN 851 HB3 -0.06 0.01 0.00 -0.04 2.02 1.94 3hs9A1 GLN 851 HG2 -0.06 -0.01 -0.09 -0.04 2.40 2.21 3hs9A1 GLN 851 HG3 -0.03 0.00 -0.04 -0.04 2.39 2.28 3hs9A1 GLN 851 HE21 0.14 -0.00 -0.15 -0.04 6.97 6.91 3hs9A1 GLN 851 HE22 0.03 0.06 -0.25 -0.04 7.69 7.49 3hs9A1 PHE 852 H 0.08 0.66 0.44 -0.55 8.34 8.96 3hs9A1 PHE 852 HA -0.23 0.14 0.88 -0.75 4.62 4.65 3hs9A1 PHE 852 HB2 -0.09 0.00 0.05 -0.04 3.15 3.08 3hs9A1 PHE 852 HB3 -0.53 0.01 -0.02 -0.04 3.06 2.48 3hs9A1 PHE 852 HD2 -0.47 0.05 -0.11 -0.04 7.28 6.71 3hs9A1 PHE 852 HE2 -0.08 -0.02 -0.12 -0.04 7.38 7.12 3hs9A1 PHE 852 HZ -0.02 -0.07 -0.19 -0.04 7.32 7.00 3hs9A1 GLN 853 H -0.06 0.18 0.15 -0.55 8.47 8.20 3hs9A1 GLN 853 HA 0.07 0.40 1.06 -0.75 4.36 5.13 3hs9A1 GLN 853 HB2 0.01 -0.05 0.12 -0.04 2.15 2.19 3hs9A1 GLN 853 HB3 0.02 0.02 -0.10 -0.04 2.02 1.92 3hs9A1 GLN 853 HG2 -0.03 -0.06 -0.17 -0.04 2.40 2.10 3hs9A1 GLN 853 HG3 -0.01 -0.01 -0.06 -0.04 2.39 2.27 3hs9A1 GLN 853 HE21 0.01 0.04 -0.19 -0.04 6.97 6.79 3hs9A1 GLN 853 HE22 -0.00 -0.05 -0.13 -0.04 7.69 7.47 3hs9A1 ILE 854 H 0.15 0.66 0.17 -0.55 8.25 8.67 3hs9A1 ILE 854 HA 0.23 0.09 0.78 -0.75 4.18 4.53 3hs9A1 ILE 854 HB 0.18 -0.11 0.15 -0.04 1.89 2.08 3hs9A1 ILE 854 HG12 0.21 -0.03 -0.16 -0.04 1.49 1.47 3hs9A1 ILE 854 HG13 0.23 0.00 -0.13 -0.04 1.21 1.27 3hs9A1 ILE 854 HG23 0.09 0.04 -0.14 -0.04 0.93 0.88 3hs9A1 ILE 854 HD13 0.22 0.01 -0.18 -0.04 0.88 0.88 3hs9A1 LYS 855 H 0.08 0.15 0.08 -0.55 8.42 8.17 3hs9A1 LYS 855 HA -0.05 0.04 0.38 -0.75 4.32 3.93 3hs9A1 LYS 855 HB2 0.01 0.03 0.01 -0.04 1.87 1.88 3hs9A1 LYS 855 HB3 -0.01 -0.02 0.08 -0.04 1.79 1.80 3hs9A1 LYS 855 HG2 0.08 0.07 0.05 -0.04 1.46 1.62 3hs9A1 LYS 855 HG3 0.04 -0.00 0.02 -0.04 1.46 1.48 3hs9A1 LYS 855 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.63 3hs9A1 LYS 855 HD3 0.01 -0.04 -0.17 -0.04 1.68 1.45 3hs9A1 LYS 855 HE2 0.03 0.02 0.01 -0.04 2.99 3.00 3hs9A1 LYS 855 HE3 0.02 -0.00 0.00 -0.04 2.99 2.97 3hs9A1 GLU 856 H -0.10 0.07 0.20 -0.55 8.60 8.21 3hs9A1 GLU 856 HA -0.23 0.09 0.42 -0.75 4.29 3.82 3hs9A1 GLU 856 HB2 -0.02 -0.04 -0.10 -0.04 2.09 1.88 3hs9A1 GLU 856 HB3 0.02 0.01 0.20 -0.04 1.99 2.18 3hs9A1 GLU 856 HG2 -0.01 -0.05 0.08 -0.04 2.34 2.32 3hs9A1 GLU 856 HG3 0.03 -0.02 0.05 -0.04 2.34 2.36 3hs9A1 CYS 857 H -0.42 0.34 -0.20 -0.55 8.50 7.67 3hs9A1 CYS 857 HA -0.12 0.15 0.94 -0.75 4.58 4.80 3hs9A1 CYS 857 HB2 -0.08 0.13 -0.08 -0.04 2.97 2.89 3hs9A1 CYS 857 HB3 -0.42 -0.02 -0.05 -0.04 2.97 2.44 3hs9A1 HIS 858 H 0.04 0.18 0.13 -0.55 8.41 8.21 3hs9A1 HIS 858 HA 0.00 0.22 0.74 -0.75 4.63 4.84 3hs9A1 HIS 858 HB2 0.00 0.03 0.02 -0.04 3.26 3.27 3hs9A1 HIS 858 HB3 0.01 -0.04 0.10 -0.04 3.20 3.23 3hs9A1 HIS 858 HD2 -0.02 0.11 -0.14 -0.04 6.97 6.87 3hs9A1 HIS 858 HE1 -0.03 -0.01 -0.03 -0.04 7.75 7.63 3hs9A1 LEU 859 H 0.15 0.11 -0.03 -0.55 8.37 8.05 3hs9A1 LEU 859 HA 0.10 0.05 0.44 -0.75 4.35 4.18 3hs9A1 LEU 859 HB2 0.12 0.02 -0.03 -0.04 1.64 1.71 3hs9A1 LEU 859 HB3 0.06 -0.06 0.00 -0.04 1.64 1.60 3hs9A1 LEU 859 HG 0.09 -0.11 0.07 -0.04 1.64 1.65 3hs9A1 LEU 859 HD13 0.05 0.05 -0.02 -0.04 0.93 0.97 3hs9A1 LEU 859 HD23 0.05 0.01 -0.04 -0.04 0.89 0.86 3hs9A1 ASN 860 H 0.05 0.08 0.14 -0.55 8.53 8.26 3hs9A1 ASN 860 HA 0.04 0.25 0.55 -0.75 4.76 4.84 3hs9A1 ASN 860 HB2 0.01 -0.09 0.15 -0.04 2.88 2.91 3hs9A1 ASN 860 HB3 0.04 0.14 0.09 -0.04 2.79 3.02 3hs9A1 ASN 860 HD21 0.02 0.04 0.02 -0.04 7.03 7.06 3hs9A1 ASN 860 HD22 0.02 0.09 0.04 -0.04 7.74 7.86 3hs9A1 ALA 861 H -0.04 0.18 0.11 -0.55 8.40 8.11 3hs9A1 ALA 861 HA -0.10 0.13 0.25 -0.75 4.34 3.87 3hs9A1 ALA 861 HB3 -0.07 0.02 0.04 -0.04 1.41 1.37 3hs9A1 ASP 862 H -0.02 0.10 -0.10 -0.55 8.40 7.83 3hs9A1 ASP 862 HA -0.01 0.09 0.33 -0.75 4.63 4.28 3hs9A1 ASP 862 HB2 -0.00 -0.03 -0.02 -0.04 2.71 2.62 3hs9A1 ASP 862 HB3 -0.00 0.08 -0.05 -0.04 2.70 2.69 3hs9A1 THR 863 H -0.00 0.10 -0.38 -0.55 8.28 7.44 3hs9A1 THR 863 HA 0.00 0.08 0.38 -0.75 4.39 4.10 3hs9A1 THR 863 HB 0.02 0.08 0.03 -0.04 4.32 4.40 3hs9A1 THR 863 HG23 0.02 0.03 -0.03 -0.04 1.22 1.20 3hs9A1 VAL 864 H -0.01 0.51 -0.17 -0.55 8.24 8.02 3hs9A1 VAL 864 HA 0.00 0.08 0.41 -0.75 4.13 3.87 3hs9A1 VAL 864 HB -0.06 0.02 0.02 -0.04 2.12 2.07 3hs9A1 VAL 864 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.73 3hs9A1 VAL 864 HG23 0.02 0.03 -0.17 -0.04 0.95 0.78 3hs9A1 SER 865 H -0.03 0.63 -0.13 -0.55 8.46 8.39 3hs9A1 SER 865 HA -0.03 0.05 0.30 -0.75 4.49 4.06 3hs9A1 SER 865 HB2 -0.01 0.07 -0.02 -0.04 3.95 3.95 3hs9A1 SER 865 HB3 -0.01 -0.04 0.02 -0.04 3.93 3.85 3hs9A1 SER 866 H -0.01 0.31 -0.43 -0.55 8.46 7.78 3hs9A1 SER 866 HA -0.01 0.06 0.58 -0.75 4.49 4.36 3hs9A1 SER 866 HB2 -0.00 0.13 0.15 -0.04 3.95 4.18 3hs9A1 SER 866 HB3 -0.00 0.05 0.18 -0.04 3.93 4.12 3hs9A1 LYS 867 H -0.01 0.68 0.06 -0.55 8.42 8.60 3hs9A1 LYS 867 HA -0.01 0.04 0.30 -0.75 4.32 3.90 3hs9A1 LYS 867 HB2 -0.02 0.03 0.10 -0.04 1.87 1.94 3hs9A1 LYS 867 HB3 -0.03 0.02 -0.08 -0.04 1.79 1.67 3hs9A1 LYS 867 HG2 -0.00 -0.00 0.02 -0.04 1.46 1.44 3hs9A1 LYS 867 HG3 -0.00 0.00 0.09 -0.04 1.46 1.51 3hs9A1 LYS 867 HD2 0.01 -0.10 -0.06 -0.04 1.69 1.50 3hs9A1 LYS 867 HD3 0.01 -0.08 -0.11 -0.04 1.68 1.45 3hs9A1 LYS 867 HE2 -0.01 -0.05 -0.04 -0.04 2.99 2.85 3hs9A1 LYS 867 HE3 -0.02 0.01 -0.10 -0.04 2.99 2.83 3hs9A1 LEU 868 H -0.06 0.33 -0.55 -0.55 8.37 7.55 3hs9A1 LEU 868 HA -0.13 0.01 0.24 -0.75 4.35 3.72 3hs9A1 LEU 868 HB2 -0.08 0.42 0.13 -0.04 1.64 2.07 3hs9A1 LEU 868 HB3 -0.11 0.14 -0.10 -0.04 1.64 1.53 3hs9A1 LEU 868 HG -0.37 -0.04 -0.14 -0.04 1.64 1.06 3hs9A1 LEU 868 HD13 -0.47 -0.02 -0.06 -0.04 0.93 0.34 3hs9A1 LEU 868 HD23 -0.02 -0.01 -0.16 -0.04 0.89 0.66 3hs9A1 GLN 869 H -0.08 0.37 -0.23 -0.55 8.47 7.98 3hs9A1 GLN 869 HA -0.30 0.01 0.41 -0.75 4.36 3.72 3hs9A1 GLN 869 HB2 -0.08 0.08 0.19 -0.04 2.15 2.30 3hs9A1 GLN 869 HB3 -0.06 0.13 0.15 -0.04 2.02 2.21 3hs9A1 GLN 869 HG2 -0.03 0.01 -0.11 -0.04 2.40 2.23 3hs9A1 GLN 869 HG3 -0.23 -0.08 0.04 -0.04 2.39 2.09 3hs9A1 GLN 869 HE21 0.07 -0.04 0.01 -0.04 6.97 6.96 3hs9A1 GLN 869 HE22 0.04 0.02 -0.01 -0.04 7.69 7.69 3hs9A1 ASN 870 H -0.05 0.43 -0.34 -0.55 8.53 8.03 3hs9A1 ASN 870 HA -0.01 0.01 0.46 -0.75 4.76 4.46 3hs9A1 ASN 870 HB2 -0.01 0.18 0.11 -0.04 2.88 3.13 3hs9A1 ASN 870 HB3 0.01 0.31 0.02 -0.04 2.79 3.09 3hs9A1 ASN 870 HD21 0.00 -0.13 -0.08 -0.04 7.03 6.78 3hs9A1 ASN 870 HD22 0.01 0.02 -0.01 -0.04 7.74 7.72 3hs9A1 ASN 871 H -0.06 0.30 -0.55 -0.55 8.53 7.68 3hs9A1 ASN 871 HA 0.00 0.15 0.78 -0.75 4.76 4.94 3hs9A1 ASN 871 HB2 -0.02 0.12 0.10 -0.04 2.88 3.03 3hs9A1 ASN 871 HB3 -0.00 -0.06 0.16 -0.04 2.79 2.84 3hs9A1 ASN 871 HD21 0.05 -0.07 0.02 -0.04 7.03 6.99 3hs9A1 ASN 871 HD22 -0.02 0.35 0.05 -0.04 7.74 8.08 3hs9A1 ASN 872 H -0.13 0.41 -0.46 -0.55 8.53 7.81 3hs9A1 ASN 872 HA -0.40 0.03 0.21 -0.75 4.76 3.84 3hs9A1 ASN 872 HB2 0.11 0.26 -0.08 -0.04 2.88 3.13 3hs9A1 ASN 872 HB3 0.14 -0.03 -0.00 -0.04 2.79 2.86 3hs9A1 ASN 872 HD21 0.15 -0.07 -0.06 -0.04 7.03 7.01 3hs9A1 ASN 872 HD22 0.07 0.03 -0.03 -0.04 7.74 7.77 3hs9A1 VAL 873 H -0.22 0.47 -0.16 -0.55 8.24 7.78 3hs9A1 VAL 873 HA -0.06 0.17 0.79 -0.75 4.13 4.28 3hs9A1 VAL 873 HB -0.17 0.01 -0.06 -0.04 2.12 1.86 3hs9A1 VAL 873 HG13 -0.09 -0.02 -0.33 -0.04 0.97 0.49 3hs9A1 VAL 873 HG23 -0.07 0.01 -0.23 -0.04 0.95 0.62 3hs9A1 TYR 874 H 0.25 0.70 0.14 -0.55 8.29 8.82 3hs9A1 TYR 874 HA 0.05 0.10 0.27 -0.75 4.56 4.22 3hs9A1 TYR 874 HB2 0.13 0.04 0.06 -0.04 3.06 3.25 3hs9A1 TYR 874 HB3 0.08 -0.00 -0.05 -0.04 2.98 2.96 3hs9A1 TYR 874 HD2 0.07 0.12 -0.13 -0.04 7.15 7.16 3hs9A1 TYR 874 HE2 0.05 0.05 -0.04 -0.04 6.85 6.87 3hs9A1 THR 875 H 0.13 0.20 0.14 -0.55 8.28 8.20 3hs9A1 THR 875 HA 0.05 0.23 0.90 -0.75 4.39 4.81 3hs9A1 THR 875 HB 0.03 0.01 0.16 -0.04 4.32 4.48 3hs9A1 THR 875 HG23 -0.02 -0.03 -0.13 -0.04 1.22 1.00 3hs9A1 ILE 876 H -0.01 1.09 0.44 -0.55 8.25 9.22 3hs9A1 ILE 876 HA 0.02 0.08 0.37 -0.75 4.18 3.90 3hs9A1 ILE 876 HB -0.29 -0.02 -0.00 -0.04 1.89 1.54 3hs9A1 ILE 876 HG12 -0.02 0.14 -0.04 -0.04 1.49 1.53 3hs9A1 ILE 876 HG13 0.01 -0.06 -0.11 -0.04 1.21 1.02 3hs9A1 ILE 876 HG23 -0.05 -0.00 -0.10 -0.04 0.93 0.74 3hs9A1 ILE 876 HD13 0.15 0.04 -0.14 -0.04 0.88 0.89 3hs9A1 ALA 877 H -0.01 0.26 0.14 -0.55 8.40 8.25 3hs9A1 ALA 877 HA 0.00 0.10 0.62 -0.75 4.34 4.32 3hs9A1 ALA 877 HB3 -0.02 0.03 -0.10 -0.04 1.41 1.27 3hs9A1 LYS 878 H 0.02 0.24 0.16 -0.55 8.42 8.29 3hs9A1 LYS 878 HA -0.07 0.37 1.04 -0.75 4.32 4.91 3hs9A1 LYS 878 HB2 -0.02 -0.01 -0.08 -0.04 1.87 1.71 3hs9A1 LYS 878 HB3 -0.01 -0.01 0.13 -0.04 1.79 1.85 3hs9A1 LYS 878 HG2 -0.05 -0.03 -0.15 -0.04 1.46 1.19 3hs9A1 LYS 878 HG3 -0.07 0.04 -0.05 -0.04 1.46 1.34 3hs9A1 LYS 878 HD2 -0.03 0.02 -0.09 -0.04 1.69 1.54 3hs9A1 LYS 878 HD3 -0.02 0.01 -0.05 -0.04 1.68 1.58 3hs9A1 LYS 878 HE2 -0.03 0.01 -0.07 -0.04 2.99 2.86 3hs9A1 LYS 878 HE3 -0.05 -0.03 -0.09 -0.04 2.99 2.78 3hs9A1 ARG 879 H -0.07 0.74 0.35 -0.55 8.46 8.94 3hs9A1 ARG 879 HA 0.01 0.15 0.97 -0.75 4.34 4.71 3hs9A1 ARG 879 HB2 0.18 -0.02 -0.10 -0.04 1.90 1.91 3hs9A1 ARG 879 HB3 0.09 0.01 0.08 -0.04 1.80 1.93 3hs9A1 ARG 879 HG2 0.02 0.01 -0.23 -0.04 1.67 1.43 3hs9A1 ARG 879 HG3 0.03 0.01 0.02 -0.04 1.67 1.69 3hs9A1 ARG 879 HD2 0.06 0.01 -0.08 -0.04 3.22 3.17 3hs9A1 ARG 879 HD3 0.02 0.00 -0.07 -0.04 3.22 3.13 3hs9A1 ASN 880 H -0.01 0.19 0.09 -0.55 8.53 8.25 3hs9A1 ASN 880 HA -0.03 0.29 0.86 -0.75 4.76 5.12 3hs9A1 ASN 880 HB2 -0.02 -0.02 0.01 -0.04 2.88 2.81 3hs9A1 ASN 880 HB3 -0.01 0.00 0.18 -0.04 2.79 2.92 3hs9A1 ASN 880 HD21 -0.01 0.01 -0.11 -0.04 7.03 6.88 3hs9A1 ASN 880 HD22 -0.01 -0.01 -0.08 -0.04 7.74 7.60 3hs9A1 VAL 881 H -0.02 0.66 0.11 -0.55 8.24 8.44 3hs9A1 VAL 881 HA -0.00 0.09 0.97 -0.75 4.13 4.44 3hs9A1 VAL 881 HB 0.00 0.06 0.06 -0.04 2.12 2.20 3hs9A1 VAL 881 HG13 0.00 -0.00 -0.10 -0.04 0.97 0.83 3hs9A1 VAL 881 HG23 0.01 -0.02 -0.20 -0.04 0.95 0.70 3hs9A1 GLU 882 H -0.00 0.15 0.10 -0.55 8.60 8.31 3hs9A1 GLU 882 HA 0.00 0.03 0.33 -0.75 4.29 3.90 3hs9A1 GLU 882 HB2 0.00 0.35 0.16 -0.04 2.09 2.56 3hs9A1 GLU 882 HB3 0.00 0.02 0.30 -0.04 1.99 2.26 3hs9A1 GLU 882 HG2 0.00 -0.06 -0.07 -0.04 2.34 2.17 3hs9A1 GLU 882 HG3 0.00 0.04 -0.02 -0.04 2.34 2.31 3hs9A1 GLY 883 H -0.00 0.06 -0.06 -0.55 8.43 7.88 3hs9A1 GLY 883 HA2 -0.00 -0.03 0.24 -0.51 4.01 3.71 3hs9A1 GLY 883 HA3 0.00 0.08 0.42 -0.51 4.01 4.00 3hs9A1 GLN 884 H -0.01 0.09 -1.14 -0.55 8.47 6.87 3hs9A1 GLN 884 HA -0.01 0.24 1.05 -0.75 4.36 4.88 3hs9A1 GLN 884 HB2 -0.01 0.14 0.12 -0.04 2.15 2.36 3hs9A1 GLN 884 HB3 -0.02 0.02 -0.04 -0.04 2.02 1.93 3hs9A1 GLN 884 HG2 0.01 0.00 0.01 -0.04 2.40 2.38 3hs9A1 GLN 884 HG3 0.00 0.10 0.02 -0.04 2.39 2.47 3hs9A1 GLN 884 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.89 3hs9A1 GLN 884 HE22 0.01 0.01 0.02 -0.04 7.69 7.69 3hs9A1 ASP 885 H -0.04 0.61 0.33 -0.55 8.40 8.75 3hs9A1 ASP 885 HA -0.06 0.03 0.63 -0.75 4.63 4.47 3hs9A1 ASP 885 HB2 -0.10 -0.00 0.17 -0.04 2.71 2.75 3hs9A1 ASP 885 HB3 -0.10 -0.03 0.00 -0.04 2.70 2.52 3hs9A1 MET 886 H -0.12 0.27 0.26 -0.55 8.47 8.34 3hs9A1 MET 886 HA -0.24 0.34 1.10 -0.75 4.52 4.97 3hs9A1 MET 886 HB2 -0.13 0.08 0.04 -0.04 2.15 2.09 3hs9A1 MET 886 HB3 -0.24 -0.18 0.22 -0.04 2.03 1.79 3hs9A1 MET 886 HG2 -0.19 -0.05 -0.06 -0.04 2.63 2.30 3hs9A1 MET 886 HG3 -0.70 0.01 -0.09 -0.04 2.56 1.74 3hs9A1 MET 886 HE3 -0.03 -0.01 -0.07 -0.04 2.10 1.95 3hs9A1 LEU 887 H -0.33 0.84 0.39 -0.55 8.37 8.73 3hs9A1 LEU 887 HA -0.28 0.19 1.06 -0.75 4.35 4.57 3hs9A1 LEU 887 HB2 -0.13 -0.05 0.12 -0.04 1.64 1.54 3hs9A1 LEU 887 HB3 -0.10 0.04 -0.02 -0.04 1.64 1.53 3hs9A1 LEU 887 HG -0.16 -0.02 -0.18 -0.04 1.64 1.24 3hs9A1 LEU 887 HD13 -0.08 -0.00 -0.12 -0.04 0.93 0.69 3hs9A1 LEU 887 HD23 -0.09 -0.00 -0.13 -0.04 0.89 0.63 3hs9A1 TYR 888 H -0.19 0.57 0.39 -0.55 8.29 8.51 3hs9A1 TYR 888 HA -0.20 0.36 1.16 -0.75 4.56 5.13 3hs9A1 TYR 888 HB2 -0.46 -0.12 0.20 -0.04 3.06 2.64 3hs9A1 TYR 888 HB3 -1.05 0.02 0.07 -0.04 2.98 1.99 3hs9A1 TYR 888 HD2 -0.29 0.06 -0.09 -0.04 7.15 6.78 3hs9A1 TYR 888 HE2 -0.23 -0.01 -0.12 -0.04 6.85 6.44 3hs9A1 GLN 889 H 0.18 0.78 0.40 -0.55 8.47 9.28 3hs9A1 GLN 889 HA 0.14 0.27 1.19 -0.75 4.36 5.21 3hs9A1 GLN 889 HB2 0.25 -0.10 -0.06 -0.04 2.15 2.20 3hs9A1 GLN 889 HB3 0.20 0.08 -0.21 -0.04 2.02 2.05 3hs9A1 GLN 889 HG2 0.07 0.11 -0.25 -0.04 2.40 2.28 3hs9A1 GLN 889 HG3 0.03 -0.24 -0.83 -0.04 2.39 1.31 3hs9A1 GLN 889 HE21 0.05 -0.00 -0.24 -0.04 6.97 6.74 3hs9A1 GLN 889 HE22 0.01 -0.04 -0.20 -0.04 7.69 7.42 3hs9A1 SER 890 H 0.32 0.20 0.28 -0.55 8.46 8.71 3hs9A1 SER 890 HA 0.45 0.33 1.30 -0.75 4.49 5.82 3hs9A1 SER 890 HB2 0.68 0.10 0.16 -0.04 3.95 4.85 3hs9A1 SER 890 HB3 0.55 -0.10 0.12 -0.04 3.93 4.45 3hs9A1 LEU 891 H 0.26 0.83 0.48 -0.55 8.37 9.40 3hs9A1 LEU 891 HA 0.10 0.16 0.55 -0.75 4.35 4.41 3hs9A1 LEU 891 HB2 -0.54 0.06 0.05 -0.04 1.64 1.17 3hs9A1 LEU 891 HB3 -0.17 0.06 0.12 -0.04 1.64 1.61 3hs9A1 LEU 891 HG -0.09 -0.04 0.10 -0.04 1.64 1.57 3hs9A1 LEU 891 HD13 -1.08 -0.01 -0.20 -0.04 0.93 -0.41 3hs9A1 LEU 891 HD23 0.01 -0.01 -0.23 -0.04 0.89 0.62 3hs9A1 LYS 892 H -0.22 0.29 0.20 -0.55 8.42 8.14 3hs9A1 LYS 892 HA -0.59 0.20 0.90 -0.75 4.32 4.08 3hs9A1 LYS 892 HB2 -1.52 -0.05 -0.02 -0.04 1.87 0.25 3hs9A1 LYS 892 HB3 -0.50 -0.06 0.02 -0.04 1.79 1.21 3hs9A1 LYS 892 HG2 -0.53 0.16 -0.15 -0.04 1.46 0.90 3hs9A1 LYS 892 HG3 -1.51 0.07 -0.13 -0.04 1.46 -0.14 3hs9A1 LYS 892 HD2 -1.02 -0.01 -0.03 -0.04 1.69 0.58 3hs9A1 LYS 892 HD3 -0.40 -0.04 -0.10 -0.04 1.68 1.10 3hs9A1 LYS 892 HE2 -0.20 -0.01 -0.01 -0.04 2.99 2.73 3hs9A1 LYS 892 HE3 -0.20 0.03 0.01 -0.04 2.99 2.79 3hs9A1 LEU 893 H -0.19 0.57 0.11 -0.55 8.37 8.32 3hs9A1 LEU 893 HA 0.02 0.27 0.67 -0.75 4.35 4.55 3hs9A1 LEU 893 HB2 0.08 -0.10 -0.01 -0.04 1.64 1.57 3hs9A1 LEU 893 HB3 0.13 -0.11 0.14 -0.04 1.64 1.76 3hs9A1 LEU 893 HG 0.00 0.10 -0.08 -0.04 1.64 1.62 3hs9A1 LEU 893 HD13 0.29 -0.03 -0.06 -0.04 0.93 1.09 3hs9A1 LEU 893 HD23 0.12 0.01 -0.19 -0.04 0.89 0.78 3hs9A1 THR 894 H 0.03 0.16 0.20 -0.55 8.28 8.12 3hs9A1 THR 894 HA -0.02 0.12 0.49 -0.75 4.39 4.24 3hs9A1 THR 894 HB 0.03 0.03 0.04 -0.04 4.32 4.38 3hs9A1 THR 894 HG23 -0.01 0.08 -0.01 -0.04 1.22 1.23 3hs9A1 ASN 895 H 0.18 0.04 -0.02 -0.55 8.53 8.18 3hs9A1 ASN 895 HA 0.02 0.25 0.72 -0.75 4.76 5.00 3hs9A1 ASN 895 HB2 -0.03 0.03 0.21 -0.04 2.88 3.06 3hs9A1 ASN 895 HB3 0.03 0.11 0.14 -0.04 2.79 3.03 3hs9A1 ASN 895 HD21 -0.30 -0.06 0.01 -0.04 7.03 6.63 3hs9A1 ASN 895 HD22 -0.28 0.13 0.06 -0.04 7.74 7.60 3hs9A1 GLY 896 H -0.05 0.34 -0.89 -0.55 8.43 7.28 3hs9A1 GLY 896 HA2 -0.13 0.09 0.23 -0.51 4.01 3.69 3hs9A1 GLY 896 HA3 -0.03 0.08 0.32 -0.51 4.01 3.86 3hs9A1 ILE 897 H -0.02 0.12 -0.59 -0.55 8.25 7.22 3hs9A1 ILE 897 HA 0.06 0.01 0.42 -0.75 4.18 3.91 3hs9A1 ILE 897 HB 0.05 -0.10 0.02 -0.04 1.89 1.83 3hs9A1 ILE 897 HG12 0.02 0.01 0.05 -0.04 1.49 1.53 3hs9A1 ILE 897 HG13 0.00 0.11 -0.00 -0.04 1.21 1.28 3hs9A1 ILE 897 HG23 0.07 -0.02 -0.22 -0.04 0.93 0.72 3hs9A1 ILE 897 HD13 -0.00 -0.01 0.02 -0.04 0.88 0.85 3hs9A1 TRP 898 H 0.29 0.06 0.27 -0.55 7.97 8.05 3hs9A1 TRP 898 HA 0.01 0.25 1.00 -0.75 4.62 5.13 3hs9A1 TRP 898 HB2 -0.02 -0.09 0.19 -0.04 3.23 3.27 3hs9A1 TRP 898 HB3 0.00 0.03 0.03 -0.04 3.23 3.25 3hs9A1 TRP 898 HD1 -0.00 -0.05 0.08 -0.04 7.22 7.21 3hs9A1 TRP 898 HE1 0.01 -0.01 0.00 -0.04 10.20 10.16 3hs9A1 TRP 898 HE3 0.06 0.05 -0.05 -0.04 7.59 7.60 3hs9A1 TRP 898 HZ2 0.01 -0.00 -0.05 -0.04 7.44 7.35 3hs9A1 TRP 898 HZ3 0.07 0.43 -0.04 -0.04 7.13 7.55 3hs9A1 TRP 898 HH2 0.00 0.00 -0.35 -0.04 7.19 6.81 3hs9A1 ILE 899 H 0.22 1.01 0.45 -0.55 8.25 9.38 3hs9A1 ILE 899 HA 0.14 0.17 0.78 -0.75 4.18 4.51 3hs9A1 ILE 899 HB 0.03 0.00 0.09 -0.04 1.89 1.97 3hs9A1 ILE 899 HG12 0.08 -0.10 -0.12 -0.04 1.49 1.31 3hs9A1 ILE 899 HG13 0.09 0.09 0.02 -0.04 1.21 1.37 3hs9A1 ILE 899 HG23 0.14 -0.01 -0.23 -0.04 0.93 0.79 3hs9A1 ILE 899 HD13 0.02 -0.02 -0.35 -0.04 0.88 0.49 3hs9A1 LEU 900 H 0.13 0.75 0.30 -0.55 8.37 9.01 3hs9A1 LEU 900 HA 0.45 0.20 1.08 -0.75 4.35 5.32 3hs9A1 LEU 900 HB2 0.06 0.05 0.18 -0.04 1.64 1.88 3hs9A1 LEU 900 HB3 0.18 -0.02 0.08 -0.04 1.64 1.84 3hs9A1 LEU 900 HG 0.00 -0.02 -0.02 -0.04 1.64 1.56 3hs9A1 LEU 900 HD13 -0.01 -0.03 -0.17 -0.04 0.93 0.68 3hs9A1 LEU 900 HD23 -0.79 -0.01 -0.05 -0.04 0.89 0.00 3hs9A1 ALA 901 H 0.61 0.64 0.44 -0.55 8.40 9.54 3hs9A1 ALA 901 HA 0.51 0.41 1.10 -0.75 4.34 5.60 3hs9A1 ALA 901 HB3 0.23 -0.02 -0.10 -0.04 1.41 1.48 3hs9A1 GLU 902 H 0.29 0.71 0.38 -0.55 8.60 9.43 3hs9A1 GLU 902 HA -0.16 0.33 0.90 -0.75 4.29 4.60 3hs9A1 GLU 902 HB2 -0.27 -0.01 0.07 -0.04 2.09 1.84 3hs9A1 GLU 902 HB3 0.03 -0.02 0.22 -0.04 1.99 2.17 3hs9A1 GLU 902 HG2 -0.16 0.03 -0.22 -0.04 2.34 1.95 3hs9A1 GLU 902 HG3 -0.23 -0.02 -0.04 -0.04 2.34 2.01 3hs9A1 LEU 903 H -0.16 0.72 0.33 -0.55 8.37 8.71 3hs9A1 LEU 903 HA -0.04 0.35 1.19 -0.75 4.35 5.10 3hs9A1 LEU 903 HB2 0.02 -0.00 -0.05 -0.04 1.64 1.56 3hs9A1 LEU 903 HB3 -0.04 -0.07 0.06 -0.04 1.64 1.55 3hs9A1 LEU 903 HG -0.12 -0.01 -0.26 -0.04 1.64 1.20 3hs9A1 LEU 903 HD13 0.05 0.06 -0.16 -0.04 0.93 0.83 3hs9A1 LEU 903 HD23 0.10 -0.01 -0.15 -0.04 0.89 0.79 3hs9A1 ARG 904 H -0.04 0.53 0.29 -0.55 8.46 8.68 3hs9A1 ARG 904 HA -0.11 0.33 0.94 -0.75 4.34 4.75 3hs9A1 ARG 904 HB2 -0.03 0.01 0.02 -0.04 1.90 1.86 3hs9A1 ARG 904 HB3 0.01 -0.12 0.23 -0.04 1.80 1.88 3hs9A1 ARG 904 HG2 -0.01 0.01 -0.10 -0.04 1.67 1.53 3hs9A1 ARG 904 HG3 -0.06 0.07 -0.03 -0.04 1.67 1.61 3hs9A1 ARG 904 HD2 -0.02 -0.01 -0.07 -0.04 3.22 3.09 3hs9A1 ARG 904 HD3 -0.00 -0.02 -0.06 -0.04 3.22 3.09 3hs9A1 ILE 905 H -0.13 0.72 0.34 -0.55 8.25 8.63 3hs9A1 ILE 905 HA -0.06 0.18 0.88 -0.75 4.18 4.42 3hs9A1 ILE 905 HB -0.21 -0.11 0.10 -0.04 1.89 1.63 3hs9A1 ILE 905 HG12 -1.88 0.11 -0.14 -0.04 1.49 -0.46 3hs9A1 ILE 905 HG13 -0.59 -0.07 -0.44 -0.04 1.21 0.06 3hs9A1 ILE 905 HG23 -0.08 -0.00 -0.15 -0.04 0.93 0.67 3hs9A1 ILE 905 HD13 -0.33 -0.02 -0.18 -0.04 0.88 0.30 3hs9A1 GLN 906 H 0.19 0.33 0.17 -0.55 8.47 8.62 3hs9A1 GLN 906 HA 0.03 0.18 0.90 -0.75 4.36 4.72 3hs9A1 GLN 906 HB2 0.03 0.10 0.10 -0.04 2.15 2.35 3hs9A1 GLN 906 HB3 0.03 -0.03 -0.03 -0.04 2.02 1.95 3hs9A1 GLN 906 HG2 0.05 -0.08 0.10 -0.04 2.40 2.43 3hs9A1 GLN 906 HG3 0.04 -0.03 0.04 -0.04 2.39 2.39 3hs9A1 GLN 906 HE21 0.10 0.08 0.07 -0.04 6.97 7.17 3hs9A1 GLN 906 HE22 0.05 -0.04 -0.06 -0.04 7.69 7.59 3hs9A1 PRO 907 HA 0.06 0.04 0.51 -0.51 4.44 4.54 3hs9A1 PRO 907 HB2 0.03 0.02 0.02 -0.04 2.28 2.31 3hs9A1 PRO 907 HB3 0.03 -0.01 0.10 -0.04 2.02 2.10 3hs9A1 PRO 907 HG2 0.02 0.04 0.12 -0.04 2.03 2.17 3hs9A1 PRO 907 HG3 0.03 -0.03 0.08 -0.04 2.03 2.08 3hs9A1 PRO 907 HD2 0.02 0.32 0.33 -0.04 3.68 4.30 3hs9A1 PRO 907 HD3 0.03 0.04 0.10 -0.04 3.65 3.77 3hs9A1 GLY 908 H 0.05 0.13 0.03 -0.55 8.43 8.09 3hs9A1 GLY 908 HA2 0.03 -0.03 0.38 -0.51 4.01 3.87 3hs9A1 GLY 908 HA3 0.03 0.16 0.78 -0.51 4.01 4.47 3hs9A1 ASN 909 H 0.03 0.35 -0.27 -0.55 8.53 8.09 3hs9A1 ASN 909 HA -0.00 0.15 0.76 -0.75 4.76 4.92 3hs9A1 ASN 909 HB2 0.01 -0.03 0.05 -0.04 2.88 2.87 3hs9A1 ASN 909 HB3 0.02 0.07 0.16 -0.04 2.79 3.00 3hs9A1 ASN 909 HD21 -0.01 -0.05 0.00 -0.04 7.03 6.93 3hs9A1 ASN 909 HD22 0.02 0.07 0.06 -0.04 7.74 7.85 3hs9A1 PRO 910 HA -0.30 0.25 0.61 -0.51 4.44 4.49 3hs9A1 PRO 910 HB2 -0.53 -0.08 0.16 -0.04 2.28 1.79 3hs9A1 PRO 910 HB3 -0.20 0.03 0.03 -0.04 2.02 1.84 3hs9A1 PRO 910 HG2 -0.07 -0.05 0.05 -0.04 2.03 1.92 3hs9A1 PRO 910 HG3 0.06 0.04 0.08 -0.04 2.03 2.16 3hs9A1 PRO 910 HD2 -0.04 0.04 0.12 -0.04 3.68 3.77 3hs9A1 PRO 910 HD3 0.00 0.28 0.31 -0.04 3.65 4.20 3hs9A1 ASN 911 H -0.15 0.31 -0.60 -0.55 8.53 7.55 3hs9A1 ASN 911 HA -0.24 0.29 0.85 -0.75 4.76 4.90 3hs9A1 ASN 911 HB2 -0.05 -0.06 -0.03 -0.04 2.88 2.69 3hs9A1 ASN 911 HB3 -0.03 0.01 -0.15 -0.04 2.79 2.59 3hs9A1 ASN 911 HD21 -0.07 -0.12 0.02 -0.04 7.03 6.82 3hs9A1 ASN 911 HD22 -0.14 0.17 -0.69 -0.04 7.74 7.05 3hs9A1 TYR 912 H -0.13 0.56 0.23 -0.55 8.29 8.39 3hs9A1 TYR 912 HA -0.00 0.29 0.97 -0.75 4.56 5.06 3hs9A1 TYR 912 HB2 0.03 -0.07 0.09 -0.04 3.06 3.07 3hs9A1 TYR 912 HB3 0.02 -0.01 -0.02 -0.04 2.98 2.93 3hs9A1 TYR 912 HD2 0.01 0.07 -0.07 -0.04 7.15 7.11 3hs9A1 TYR 912 HE2 -0.01 -0.04 -0.11 -0.04 6.85 6.65 3hs9A1 THR 913 H 0.13 0.45 0.35 -0.55 8.28 8.66 3hs9A1 THR 913 HA 0.07 0.28 1.08 -0.75 4.39 5.08 3hs9A1 THR 913 HB 0.04 -0.02 0.18 -0.04 4.32 4.48 3hs9A1 THR 913 HG23 0.03 -0.01 -0.12 -0.04 1.22 1.09 3hs9A1 LEU 914 H 0.09 0.89 0.37 -0.55 8.37 9.17 3hs9A1 LEU 914 HA 0.02 0.22 1.03 -0.75 4.35 4.86 3hs9A1 LEU 914 HB2 -0.00 -0.02 -0.13 -0.04 1.64 1.45 3hs9A1 LEU 914 HB3 0.14 -0.08 0.10 -0.04 1.64 1.77 3hs9A1 LEU 914 HG -0.06 0.01 -0.30 -0.04 1.64 1.26 3hs9A1 LEU 914 HD13 -0.59 0.02 -0.14 -0.04 0.93 0.18 3hs9A1 LEU 914 HD23 -0.31 -0.01 -0.12 -0.04 0.89 0.40 3hs9A1 SER 915 H 0.11 0.80 0.34 -0.55 8.46 9.17 3hs9A1 SER 915 HA 0.18 0.30 1.06 -0.75 4.49 5.27 3hs9A1 SER 915 HB2 0.29 -0.06 0.23 -0.04 3.95 4.37 3hs9A1 SER 915 HB3 0.40 0.03 -0.00 -0.04 3.93 4.32 3hs9A1 LEU 916 H 0.22 0.77 0.31 -0.55 8.37 9.12 3hs9A1 LEU 916 HA 0.26 0.34 1.16 -0.75 4.35 5.35 3hs9A1 LEU 916 HB2 0.24 -0.04 0.14 -0.04 1.64 1.93 3hs9A1 LEU 916 HB3 0.14 -0.02 -0.02 -0.04 1.64 1.70 3hs9A1 LEU 916 HG 0.15 -0.02 -0.26 -0.04 1.64 1.48 3hs9A1 LEU 916 HD13 -0.02 -0.04 -0.09 -0.04 0.93 0.73 3hs9A1 LEU 916 HD23 0.04 0.01 -0.21 -0.04 0.89 0.69 3hs9A1 LYS 917 H -0.01 0.65 0.28 -0.55 8.42 8.79 3hs9A1 LYS 917 HA -0.24 0.36 1.05 -0.75 4.32 4.73 3hs9A1 LYS 917 HB2 -1.30 -0.08 0.12 -0.04 1.87 0.57 3hs9A1 LYS 917 HB3 -0.61 0.00 -0.02 -0.04 1.79 1.11 3hs9A1 LYS 917 HG2 -0.55 0.10 -0.13 -0.04 1.46 0.83 3hs9A1 LYS 917 HG3 -0.96 -0.10 -0.15 -0.04 1.46 0.21 3hs9A1 LYS 917 HD2 -1.59 -0.09 -0.08 -0.04 1.69 -0.11 3hs9A1 LYS 917 HD3 -2.54 -0.10 0.00 -0.04 1.68 -1.00 3hs9A1 LYS 917 HE2 -0.61 0.44 0.00 -0.04 2.99 2.79 3hs9A1 LYS 917 HE3 -0.54 -0.13 -0.10 -0.04 2.99 2.18 3hs9A1 CYS 918 H -0.06 0.46 0.17 -0.55 8.50 8.52 3hs9A1 CYS 918 HA 0.01 0.22 0.83 -0.75 4.58 4.90 3hs9A1 CYS 918 HB2 0.07 -0.03 0.02 -0.04 2.97 2.99 3hs9A1 CYS 918 HB3 0.05 -0.09 -0.06 -0.04 2.97 2.83 3hs9A1 ARG 919 H 0.03 0.20 0.16 -0.55 8.46 8.31 3hs9A1 ARG 919 HA -0.03 0.15 0.61 -0.75 4.34 4.32 3hs9A1 ARG 919 HB2 0.01 0.03 0.14 -0.04 1.90 2.04 3hs9A1 ARG 919 HB3 0.04 -0.05 0.15 -0.04 1.80 1.90 3hs9A1 ARG 919 HG2 0.01 -0.02 -0.06 -0.04 1.67 1.56 3hs9A1 ARG 919 HG3 -0.01 0.03 0.15 -0.04 1.67 1.80 3hs9A1 ARG 919 HD2 0.02 -0.01 0.04 -0.04 3.22 3.23 3hs9A1 ARG 919 HD3 0.00 -0.00 0.03 -0.04 3.22 3.21 3hs9A1 ALA 920 H 0.03 0.11 -0.09 -0.55 8.40 7.91 3hs9A1 ALA 920 HA 0.01 0.26 0.78 -0.75 4.34 4.63 3hs9A1 ALA 920 HB3 0.01 0.00 0.14 -0.04 1.41 1.52 3hs9A1 PRO 921 HA 0.07 0.01 0.48 -0.51 4.44 4.50 3hs9A1 PRO 921 HB2 0.03 0.02 0.02 -0.04 2.28 2.31 3hs9A1 PRO 921 HB3 0.02 0.17 0.12 -0.04 2.02 2.29 3hs9A1 PRO 921 HG2 -0.01 0.04 0.07 -0.04 2.03 2.09 3hs9A1 PRO 921 HG3 -0.01 0.39 0.07 -0.04 2.03 2.44 3hs9A1 PRO 921 HD2 0.02 0.05 0.10 -0.04 3.68 3.81 3hs9A1 PRO 921 HD3 0.00 0.39 -0.07 -0.04 3.65 3.94 3hs9A1 GLU 922 H 0.06 0.13 -0.37 -0.55 8.60 7.88 3hs9A1 GLU 922 HA 0.12 0.16 0.64 -0.75 4.29 4.46 3hs9A1 GLU 922 HB2 0.12 0.01 0.00 -0.04 2.09 2.18 3hs9A1 GLU 922 HB3 0.07 0.06 0.07 -0.04 1.99 2.16 3hs9A1 GLU 922 HG2 0.04 0.02 0.00 -0.04 2.34 2.36 3hs9A1 GLU 922 HG3 0.05 -0.06 -0.09 -0.04 2.34 2.21 3hs9A1 VAL 923 H 0.12 0.29 -0.20 -0.55 8.24 7.90 3hs9A1 VAL 923 HA 0.23 0.08 0.56 -0.75 4.13 4.25 3hs9A1 VAL 923 HB 0.12 0.16 0.14 -0.04 2.12 2.50 3hs9A1 VAL 923 HG13 0.17 -0.01 -0.15 -0.04 0.97 0.94 3hs9A1 VAL 923 HG23 0.09 -0.02 0.03 -0.04 0.95 1.01 3hs9A1 SER 924 H 0.16 0.20 -0.26 -0.55 8.46 8.01 3hs9A1 SER 924 HA 0.12 0.01 0.12 -0.75 4.49 4.00 3hs9A1 SER 924 HB2 0.23 0.21 0.03 -0.04 3.95 4.38 3hs9A1 SER 924 HB3 0.27 0.01 -0.05 -0.04 3.93 4.12 3hs9A1 GLN 925 H 0.18 0.23 -0.41 -0.55 8.47 7.94 3hs9A1 GLN 925 HA -0.15 0.08 0.52 -0.75 4.36 4.04 3hs9A1 GLN 925 HB2 0.14 0.05 0.07 -0.04 2.15 2.37 3hs9A1 GLN 925 HB3 -0.01 0.09 0.03 -0.04 2.02 2.09 3hs9A1 GLN 925 HG2 -0.40 -0.01 -0.48 -0.04 2.40 1.46 3hs9A1 GLN 925 HG3 -0.04 0.00 -0.02 -0.04 2.39 2.28 3hs9A1 GLN 925 HE21 -0.33 -0.02 -0.01 -0.04 6.97 6.57 3hs9A1 GLN 925 HE22 -0.56 -0.01 -0.07 -0.04 7.69 7.01 3hs9A1 TYR 926 H 0.29 0.61 -0.03 -0.55 8.29 8.61 3hs9A1 TYR 926 HA 0.04 0.05 0.44 -0.75 4.56 4.33 3hs9A1 TYR 926 HB2 0.09 0.18 0.12 -0.04 3.06 3.41 3hs9A1 TYR 926 HB3 0.04 -0.06 0.05 -0.04 2.98 2.97 3hs9A1 TYR 926 HD2 0.06 0.11 0.10 -0.04 7.15 7.37 3hs9A1 TYR 926 HE2 0.05 0.07 0.04 -0.04 6.85 6.97 3hs9A1 ILE 927 H 0.17 0.23 -0.32 -0.55 8.25 7.77 3hs9A1 ILE 927 HA 0.26 0.06 0.43 -0.75 4.18 4.18 3hs9A1 ILE 927 HB 0.10 0.11 -0.01 -0.04 1.89 2.04 3hs9A1 ILE 927 HG12 0.17 -0.00 -0.29 -0.04 1.49 1.33 3hs9A1 ILE 927 HG13 0.10 0.02 -0.18 -0.04 1.21 1.11 3hs9A1 ILE 927 HG23 0.24 0.01 -0.23 -0.04 0.93 0.91 3hs9A1 ILE 927 HD13 0.15 0.01 -0.20 -0.04 0.88 0.80 3hs9A1 TYR 928 H -0.13 0.56 -0.15 -0.55 8.29 8.02 3hs9A1 TYR 928 HA -0.15 0.04 0.40 -0.75 4.56 4.09 3hs9A1 TYR 928 HB2 -0.92 -0.00 0.02 -0.04 3.06 2.12 3hs9A1 TYR 928 HB3 -1.14 0.12 0.15 -0.04 2.98 2.07 3hs9A1 TYR 928 HD2 -0.16 0.06 -0.06 -0.04 7.15 6.95 3hs9A1 TYR 928 HE2 0.04 0.07 -0.08 -0.04 6.85 6.83 3hs9A1 GLN 929 H -0.14 0.51 -0.18 -0.55 8.47 8.11 3hs9A1 GLN 929 HA -0.59 0.03 0.38 -0.75 4.36 3.43 3hs9A1 GLN 929 HB2 -0.07 0.22 0.20 -0.04 2.15 2.46 3hs9A1 GLN 929 HB3 -0.04 0.08 -0.01 -0.04 2.02 2.01 3hs9A1 GLN 929 HG2 -0.06 -0.01 -0.00 -0.04 2.40 2.28 3hs9A1 GLN 929 HG3 -0.09 -0.01 0.06 -0.04 2.39 2.32 3hs9A1 GLN 929 HE21 0.02 -0.03 -0.03 -0.04 6.97 6.89 3hs9A1 GLN 929 HE22 0.02 0.01 -0.02 -0.04 7.69 7.65 3hs9A1 VAL 930 H -0.01 0.30 -0.67 -0.55 8.24 7.31 3hs9A1 VAL 930 HA -0.03 0.02 0.47 -0.75 4.13 3.83 3hs9A1 VAL 930 HB 0.14 0.20 0.13 -0.04 2.12 2.55 3hs9A1 VAL 930 HG13 0.05 0.01 -0.18 -0.04 0.97 0.81 3hs9A1 VAL 930 HG23 -0.04 -0.04 -0.00 -0.04 0.95 0.83 3hs9A1 TYR 931 H 0.17 0.47 -0.03 -0.55 8.29 8.35 3hs9A1 TYR 931 HA 0.00 0.04 0.47 -0.75 4.56 4.32 3hs9A1 TYR 931 HB2 -0.04 0.07 0.22 -0.04 3.06 3.27 3hs9A1 TYR 931 HB3 0.01 -0.03 -0.08 -0.04 2.98 2.83 3hs9A1 TYR 931 HD2 0.05 0.07 -0.14 -0.04 7.15 7.09 3hs9A1 TYR 931 HE2 0.05 -0.02 -0.19 -0.04 6.85 6.65 3hs9A1 ASP 932 H -0.20 0.56 -0.28 -0.55 8.40 7.94 3hs9A1 ASP 932 HA -0.06 0.01 0.17 -0.75 4.63 4.01 3hs9A1 ASP 932 HB2 -0.60 0.02 0.03 -0.04 2.71 2.12 3hs9A1 ASP 932 HB3 -0.30 0.12 0.07 -0.04 2.70 2.55 3hs9A1 SER 933 H -0.14 0.41 -0.12 -0.55 8.46 8.06 3hs9A1 SER 933 HA -0.20 0.06 0.46 -0.75 4.49 4.06 3hs9A1 SER 933 HB2 -0.24 -0.03 0.03 -0.04 3.95 3.67 3hs9A1 SER 933 HB3 -0.10 0.05 0.12 -0.04 3.93 3.97 3hs9A1 ILE 934 H -0.15 0.48 -0.29 -0.55 8.25 7.74 3hs9A1 ILE 934 HA -0.26 -0.01 0.44 -0.75 4.18 3.59 3hs9A1 ILE 934 HB -0.11 0.09 0.17 -0.04 1.89 2.00 3hs9A1 ILE 934 HG12 -0.00 -0.10 0.04 -0.04 1.49 1.39 3hs9A1 ILE 934 HG13 -0.06 0.06 0.09 -0.04 1.21 1.26 3hs9A1 ILE 934 HG23 -0.07 -0.01 -0.26 -0.04 0.93 0.55 3hs9A1 ILE 934 HD13 -0.07 -0.02 -0.06 -0.04 0.88 0.68 3hs9A1 LEU 935 H -0.06 0.56 -0.10 -0.55 8.37 8.22 3hs9A1 LEU 935 HA -0.02 0.07 0.35 -0.75 4.35 4.00 3hs9A1 LEU 935 HB2 0.04 0.09 0.01 -0.04 1.64 1.74 3hs9A1 LEU 935 HB3 0.07 -0.11 0.08 -0.04 1.64 1.64 3hs9A1 LEU 935 HG 0.01 0.08 0.02 -0.04 1.64 1.71 3hs9A1 LEU 935 HD13 0.22 -0.03 -0.10 -0.04 0.93 0.98 3hs9A1 LEU 935 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 3hs9A1 LYS 936 H -0.13 0.12 -0.80 -0.55 8.42 7.06 3hs9A1 LYS 936 HA -0.03 0.11 0.88 -0.75 4.32 4.53 3hs9A1 LYS 936 HB2 -0.10 0.31 0.11 -0.04 1.87 2.15 3hs9A1 LYS 936 HB3 -0.07 -0.09 -0.04 -0.04 1.79 1.54 3hs9A1 LYS 936 HG2 -0.03 -0.08 0.03 -0.04 1.46 1.34 3hs9A1 LYS 936 HG3 -0.03 0.04 -0.05 -0.04 1.46 1.39 3hs9A1 LYS 936 HD2 -0.05 0.27 -0.04 -0.04 1.69 1.83 3hs9A1 LYS 936 HD3 -0.04 -0.12 -0.07 -0.04 1.68 1.41 3hs9A1 LYS 936 HE2 -0.03 0.09 -0.13 -0.04 2.99 2.89 3hs9A1 LYS 936 HE3 -0.02 -0.07 -0.12 -0.04 2.99 2.74 3hs9A1 ASN 937 H -0.20 0.30 -0.15 -0.55 8.53 7.92 3hs9A1 ASN 937 HA -0.05 0.17 0.70 -0.75 4.76 4.82 3hs9A1 ASN 937 HB2 -0.59 0.12 0.12 -0.04 2.88 2.48 3hs9A1 ASN 937 HB3 0.04 -0.05 0.07 -0.04 2.79 2.81 3hs9A1 ASN 937 HD21 -0.16 -0.08 -0.07 -0.04 7.03 6.67 3hs9A1 ASN 937 HD22 -0.43 0.46 0.06 -0.04 7.74 7.79