============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 3 0.840 94.753 60.035 26.117 -99.200 -91.000 PHE 15 1.000 74.365 57.536 11.400 -99.200 -91.000 TYR 23 0.840 73.357 54.689 2.833 -99.200 -91.000 PHE 26 1.000 77.109 58.047 7.247 -99.200 -91.000 TYR 32 0.840 97.626 48.135 12.887 -99.200 -91.000 PHE 35 1.000 92.524 43.468 8.412 -99.200 -91.000 PHE 81 1.000 64.362 38.324 -2.035 -99.200 -91.000 HIS 83 0.900 58.789 41.176 -12.493 -99.200 -91.000 HIS 84 0.900 54.504 41.792 -6.277 -99.200 -91.000 PHE 90 1.000 53.732 33.337 -18.332 -99.200 -91.000 TYR 101 0.840 72.096 27.446 -13.717 -99.200 -91.000 PHE 105 1.000 72.442 18.490 -16.490 -99.200 -91.000 PHE 125 1.000 66.326 24.122 -50.999 -99.200 -91.000 HIS 128 0.900 56.308 28.319 -43.904 -99.200 -91.000 PHE 131 1.000 50.739 17.998 -38.753 -99.200 -91.000 TYR 189 0.840 80.008 30.144 -11.485 -99.200 -91.000 HIS 209 0.900 44.236 43.853 -2.371 -99.200 -91.000 TYR 214 0.840 46.633 30.400 -7.781 -99.200 -91.000 PHE 238 1.000 44.806 46.135 4.884 -99.200 -91.000 TYR 245 0.840 47.878 32.256 3.927 -99.200 -91.000 TYR 250 0.840 53.168 27.445 2.134 -99.200 -91.000 TYR 304 0.840 72.275 53.752 14.822 -99.200 -91.000 TYR 309 0.840 62.590 46.997 18.386 -99.200 -91.000 PHE 313 1.000 62.898 42.145 19.620 -99.200 -91.000 HIS 328 0.900 76.247 56.191 -1.077 -99.200 -91.000 TYR 356 0.840 72.521 45.864 -22.287 -99.200 -91.000 PHE 357 1.000 66.528 48.817 -29.606 -99.200 -91.000 PHE 358 1.000 75.297 50.975 -28.278 -99.200 -91.000 TYR 367 0.840 65.899 50.916 -12.049 -99.200 -91.000 HIS 394 0.900 78.172 34.725 -13.538 -99.200 -91.000 PHE 396 1.000 78.031 46.278 -10.730 -99.200 -91.000 TYR 399 0.840 84.028 47.956 -8.712 -99.200 -91.000 HIS 406 0.900 90.214 46.767 -2.359 -99.200 -91.000 TYR 424 0.840 74.964 47.753 16.612 -99.200 -91.000 PHE 430 1.000 79.974 55.754 12.381 -99.200 -91.000 HIS 444 0.900 88.060 68.784 -5.536 -99.200 -91.000 HIS 447 0.900 88.725 72.114 -19.794 -99.200 -91.000 TYR 449 0.840 85.075 63.663 -13.932 -99.200 -91.000 PHE 454 1.000 83.777 46.159 -13.663 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nf7A1 THR 10 HA 0.03 0.01 0.18 -0.75 4.39 3.85 1nf7A1 THR 10 HB 0.05 -0.15 0.13 -0.04 4.32 4.31 1nf7A1 THR 10 HG23 0.09 -0.01 -0.10 -0.04 1.22 1.16 1nf7A1 SER 11 H 0.04 0.08 0.09 -0.55 8.46 8.13 1nf7A1 SER 11 HA 0.03 -0.02 0.29 -0.75 4.49 4.03 1nf7A1 SER 11 HB2 0.02 -0.06 0.02 -0.04 3.95 3.89 1nf7A1 SER 11 HB3 0.03 0.21 -0.41 -0.04 3.93 3.72 1nf7A1 TYR 12 H 0.13 -0.10 -0.10 -0.55 8.29 7.66 1nf7A1 TYR 12 HA -0.01 0.30 0.93 -0.75 4.56 5.03 1nf7A1 TYR 12 HB2 -0.00 0.05 -0.14 -0.04 3.06 2.93 1nf7A1 TYR 12 HB3 -0.00 -0.16 0.03 -0.04 2.98 2.81 1nf7A1 TYR 12 HD2 -0.00 -0.03 -0.09 -0.04 7.15 6.99 1nf7A1 TYR 12 HE2 0.00 -0.05 -0.09 -0.04 6.85 6.67 1nf7A1 VAL 13 H 0.01 -0.07 0.05 -0.55 8.24 7.69 1nf7A1 VAL 13 HA -0.12 -0.05 0.42 -0.75 4.13 3.62 1nf7A1 VAL 13 HB -0.10 -0.05 0.07 -0.04 2.12 2.00 1nf7A1 VAL 13 HG13 -0.07 -0.01 -0.48 -0.04 0.97 0.37 1nf7A1 VAL 13 HG23 -0.19 0.14 0.14 -0.04 0.95 1.00 1nf7A1 PRO 14 HA -0.32 0.11 0.34 -0.51 4.44 4.06 1nf7A1 PRO 14 HB2 -0.02 -0.01 0.00 -0.04 2.28 2.21 1nf7A1 PRO 14 HB3 0.07 -0.00 0.12 -0.04 2.02 2.16 1nf7A1 PRO 14 HG2 0.06 0.03 0.06 -0.04 2.03 2.13 1nf7A1 PRO 14 HG3 0.21 0.04 0.03 -0.04 2.03 2.27 1nf7A1 PRO 14 HD2 -0.05 0.12 0.15 -0.04 3.68 3.86 1nf7A1 PRO 14 HD3 -0.02 -0.01 0.19 -0.04 3.65 3.78 1nf7A1 ASP 15 H 0.00 0.07 0.04 -0.55 8.40 7.97 1nf7A1 ASP 15 HA -0.05 0.34 0.98 -0.75 4.63 5.14 1nf7A1 ASP 15 HB2 0.03 -0.10 0.10 -0.04 2.71 2.70 1nf7A1 ASP 15 HB3 0.01 -0.00 0.23 -0.04 2.70 2.90 1nf7A1 ASP 16 H -0.03 0.16 -0.25 -0.55 8.40 7.73 1nf7A1 ASP 16 HA 0.00 -0.01 0.46 -0.75 4.63 4.32 1nf7A1 ASP 16 HB2 -0.01 -0.06 0.05 -0.04 2.71 2.65 1nf7A1 ASP 16 HB3 -0.02 0.05 0.05 -0.04 2.70 2.74 1nf7A1 GLY 17 H 0.01 -0.01 0.12 -0.55 8.43 7.99 1nf7A1 GLY 17 HA2 0.02 -0.05 0.41 -0.51 4.01 3.87 1nf7A1 GLY 17 HA3 0.00 0.30 0.88 -0.51 4.01 4.69 1nf7A1 LEU 18 H 0.06 0.47 0.33 -0.55 8.37 8.68 1nf7A1 LEU 18 HA 0.03 0.09 0.69 -0.75 4.35 4.41 1nf7A1 LEU 18 HB2 0.04 0.04 0.12 -0.04 1.64 1.80 1nf7A1 LEU 18 HB3 0.06 -0.05 -0.16 -0.04 1.64 1.45 1nf7A1 LEU 18 HG -0.07 0.03 -0.07 -0.04 1.64 1.49 1nf7A1 LEU 18 HD13 -0.01 0.01 0.01 -0.04 0.93 0.89 1nf7A1 LEU 18 HD23 -0.07 -0.02 -0.07 -0.04 0.89 0.69 1nf7A1 THR 19 H 0.03 0.06 0.16 -0.55 8.28 7.98 1nf7A1 THR 19 HA 0.24 0.39 0.89 -0.75 4.39 5.16 1nf7A1 THR 19 HB 0.04 -0.17 0.09 -0.04 4.32 4.24 1nf7A1 THR 19 HG23 0.10 -0.03 0.04 -0.04 1.22 1.29 1nf7A1 ALA 20 H 0.18 0.37 0.13 -0.55 8.40 8.53 1nf7A1 ALA 20 HA -0.60 0.03 0.25 -0.75 4.34 3.27 1nf7A1 ALA 20 HB3 -0.29 0.05 0.06 -0.04 1.41 1.19 1nf7A1 GLN 21 H -0.01 0.20 -0.15 -0.55 8.47 7.96 1nf7A1 GLN 21 HA 0.05 0.07 0.33 -0.75 4.36 4.05 1nf7A1 GLN 21 HB2 0.10 0.11 0.09 -0.04 2.15 2.42 1nf7A1 GLN 21 HB3 0.03 -0.10 0.09 -0.04 2.02 1.99 1nf7A1 GLN 21 HG2 0.05 0.02 -0.02 -0.04 2.40 2.41 1nf7A1 GLN 21 HG3 0.04 -0.02 -0.20 -0.04 2.39 2.17 1nf7A1 GLN 21 HE21 0.11 0.03 0.01 -0.04 6.97 7.08 1nf7A1 GLN 21 HE22 0.09 0.03 0.01 -0.04 7.69 7.78 1nf7A1 GLN 22 H -0.05 0.14 -0.08 -0.55 8.47 7.94 1nf7A1 GLN 22 HA -0.06 0.03 0.31 -0.75 4.36 3.89 1nf7A1 GLN 22 HB2 -0.03 0.01 0.12 -0.04 2.15 2.21 1nf7A1 GLN 22 HB3 -0.06 0.02 0.08 -0.04 2.02 2.02 1nf7A1 GLN 22 HG2 -0.09 -0.00 -0.05 -0.04 2.40 2.22 1nf7A1 GLN 22 HG3 -0.05 -0.01 0.09 -0.04 2.39 2.38 1nf7A1 GLN 22 HE21 -0.02 0.02 0.01 -0.04 6.97 6.94 1nf7A1 GLN 22 HE22 -0.03 -0.03 0.01 -0.04 7.69 7.60 1nf7A1 LEU 23 H -0.33 0.47 -0.80 -0.55 8.37 7.15 1nf7A1 LEU 23 HA -0.39 0.10 0.83 -0.75 4.35 4.13 1nf7A1 LEU 23 HB2 -0.49 0.02 -0.14 -0.04 1.64 0.98 1nf7A1 LEU 23 HB3 -1.30 0.14 -0.01 -0.04 1.64 0.44 1nf7A1 LEU 23 HG -1.30 -0.06 -0.13 -0.04 1.64 0.11 1nf7A1 LEU 23 HD13 -0.28 -0.02 -0.07 -0.04 0.93 0.53 1nf7A1 LEU 23 HD23 -0.75 -0.00 -0.22 -0.04 0.89 -0.13 1nf7A1 PHE 24 H -0.35 0.62 0.20 -0.55 8.34 8.25 1nf7A1 PHE 24 HA -0.19 0.05 1.00 -0.75 4.62 4.72 1nf7A1 PHE 24 HB2 -0.69 0.09 -0.01 -0.04 3.15 2.50 1nf7A1 PHE 24 HB3 -0.17 -0.09 0.18 -0.04 3.06 2.93 1nf7A1 PHE 24 HD2 -0.71 -0.02 -0.10 -0.04 7.28 6.41 1nf7A1 PHE 24 HE2 -1.16 -0.02 -0.18 -0.04 7.38 5.98 1nf7A1 PHE 24 HZ -1.92 0.02 -0.19 -0.04 7.32 5.20 1nf7A1 ASN 25 H -0.07 0.35 -0.00 -0.55 8.53 8.27 1nf7A1 ASN 25 HA 0.10 0.20 0.98 -0.75 4.76 5.29 1nf7A1 ASN 25 HB2 0.18 -0.02 -0.03 -0.04 2.88 2.98 1nf7A1 ASN 25 HB3 0.05 0.04 0.07 -0.04 2.79 2.91 1nf7A1 ASN 25 HD21 0.08 -0.01 0.03 -0.04 7.03 7.09 1nf7A1 ASN 25 HD22 0.12 -0.01 0.02 -0.04 7.74 7.82 1nf7A1 CYS 26 H -0.02 -0.04 -0.21 -0.55 8.50 7.68 1nf7A1 CYS 26 HA -0.00 0.29 0.97 -0.75 4.58 5.08 1nf7A1 CYS 26 HB2 -0.04 -0.18 0.12 -0.04 2.97 2.82 1nf7A1 CYS 26 HB3 -0.02 0.04 -0.02 -0.04 2.97 2.93 1nf7A1 GLY 27 H -0.02 -0.27 0.19 -0.55 8.43 7.78 1nf7A1 GLY 27 HA2 0.00 0.05 0.22 -0.51 4.01 3.77 1nf7A1 GLY 27 HA3 -0.01 0.22 0.62 -0.51 4.01 4.33 1nf7A1 ASP 28 H -0.02 -0.18 0.19 -0.55 8.40 7.84 1nf7A1 ASP 28 HA -0.01 0.20 0.60 -0.75 4.63 4.67 1nf7A1 ASP 28 HB2 -0.05 -0.02 0.09 -0.04 2.71 2.69 1nf7A1 ASP 28 HB3 -0.02 0.05 0.00 -0.04 2.70 2.69 1nf7A1 GLY 29 H -0.00 -0.06 -0.05 -0.55 8.43 7.77 1nf7A1 GLY 29 HA2 0.02 -0.01 0.36 -0.51 4.01 3.87 1nf7A1 GLY 29 HA3 0.00 0.12 0.36 -0.51 4.01 3.98 1nf7A1 LEU 30 H 0.04 0.11 0.11 -0.55 8.37 8.09 1nf7A1 LEU 30 HA 0.04 0.23 0.93 -0.75 4.35 4.80 1nf7A1 LEU 30 HB2 0.15 0.09 -0.06 -0.04 1.64 1.78 1nf7A1 LEU 30 HB3 0.05 0.05 0.04 -0.04 1.64 1.74 1nf7A1 LEU 30 HG -0.04 -0.11 -0.09 -0.04 1.64 1.35 1nf7A1 LEU 30 HD13 -0.01 0.05 0.08 -0.04 0.93 1.01 1nf7A1 LEU 30 HD23 -0.14 0.05 -0.02 -0.04 0.89 0.74 1nf7A1 THR 31 H 0.07 0.18 0.12 -0.55 8.28 8.11 1nf7A1 THR 31 HA -0.10 -0.02 0.80 -0.75 4.39 4.32 1nf7A1 THR 31 HB -0.12 -0.12 0.19 -0.04 4.32 4.23 1nf7A1 THR 31 HG23 -0.10 0.01 -0.01 -0.04 1.22 1.08 1nf7A1 TYR 32 H -0.34 0.11 0.16 -0.55 8.29 7.66 1nf7A1 TYR 32 HA -0.00 0.17 0.32 -0.75 4.56 4.30 1nf7A1 TYR 32 HB2 -0.70 -0.04 0.14 -0.04 3.06 2.42 1nf7A1 TYR 32 HB3 -0.17 0.08 0.02 -0.04 2.98 2.86 1nf7A1 TYR 32 HD2 -0.13 0.09 -0.02 -0.04 7.15 7.05 1nf7A1 TYR 32 HE2 0.01 0.05 -0.19 -0.04 6.85 6.68 1nf7A1 ASN 33 H 0.04 0.01 -0.14 -0.55 8.53 7.89 1nf7A1 ASN 33 HA 0.07 0.18 0.41 -0.75 4.76 4.67 1nf7A1 ASN 33 HB2 0.07 -0.06 0.01 -0.04 2.88 2.86 1nf7A1 ASN 33 HB3 0.07 0.08 0.10 -0.04 2.79 3.00 1nf7A1 ASN 33 HD21 0.23 -0.01 0.01 -0.04 7.03 7.23 1nf7A1 ASN 33 HD22 0.09 -0.01 0.02 -0.04 7.74 7.80 1nf7A1 ASP 34 H 0.12 0.35 -0.65 -0.55 8.40 7.68 1nf7A1 ASP 34 HA 0.09 0.23 0.77 -0.75 4.63 4.97 1nf7A1 ASP 34 HB2 0.25 0.13 0.07 -0.04 2.71 3.12 1nf7A1 ASP 34 HB3 0.13 -0.02 0.14 -0.04 2.70 2.91 1nf7A1 PHE 35 H -0.18 0.42 -0.09 -0.55 8.34 7.94 1nf7A1 PHE 35 HA 0.07 0.20 0.71 -0.75 4.62 4.85 1nf7A1 PHE 35 HB2 0.13 -0.03 0.02 -0.04 3.15 3.24 1nf7A1 PHE 35 HB3 0.03 -0.05 -0.31 -0.04 3.06 2.69 1nf7A1 PHE 35 HD2 0.29 0.06 -0.23 -0.04 7.28 7.36 1nf7A1 PHE 35 HE2 0.28 -0.08 -0.33 -0.04 7.38 7.21 1nf7A1 PHE 35 HZ 0.28 -0.06 -0.18 -0.04 7.32 7.32 1nf7A1 LEU 36 H 0.32 0.28 0.24 -0.55 8.37 8.65 1nf7A1 LEU 36 HA 0.01 0.17 0.77 -0.75 4.35 4.55 1nf7A1 LEU 36 HB2 0.09 0.01 -0.05 -0.04 1.64 1.64 1nf7A1 LEU 36 HB3 0.05 -0.05 0.03 -0.04 1.64 1.63 1nf7A1 LEU 36 HG 0.02 -0.02 -0.41 -0.04 1.64 1.20 1nf7A1 LEU 36 HD13 0.02 0.01 -0.10 -0.04 0.93 0.82 1nf7A1 LEU 36 HD23 -0.02 0.03 0.01 -0.04 0.89 0.87 1nf7A1 ILE 37 H 0.05 0.21 0.03 -0.55 8.25 7.99 1nf7A1 ILE 37 HA -0.06 0.32 1.01 -0.75 4.18 4.70 1nf7A1 ILE 37 HB 0.02 -0.08 0.07 -0.04 1.89 1.86 1nf7A1 ILE 37 HG12 0.17 0.13 -0.13 -0.04 1.49 1.61 1nf7A1 ILE 37 HG13 0.28 -0.16 -0.48 -0.04 1.21 0.81 1nf7A1 ILE 37 HG23 -0.13 0.05 -0.14 -0.04 0.93 0.67 1nf7A1 ILE 37 HD13 0.18 -0.01 -0.14 -0.04 0.88 0.86 1nf7A1 LEU 38 H -0.07 0.23 -0.04 -0.55 8.37 7.94 1nf7A1 LEU 38 HA -0.02 -0.02 0.39 -0.75 4.35 3.95 1nf7A1 LEU 38 HB2 -0.06 -0.03 0.06 -0.04 1.64 1.57 1nf7A1 LEU 38 HB3 -0.03 0.18 -0.03 -0.04 1.64 1.73 1nf7A1 LEU 38 HG -0.01 0.01 -0.05 -0.04 1.64 1.55 1nf7A1 LEU 38 HD13 0.01 -0.04 -0.14 -0.04 0.93 0.72 1nf7A1 LEU 38 HD23 -0.01 -0.01 -0.21 -0.04 0.89 0.62 1nf7A1 PRO 39 HA -0.02 0.11 0.43 -0.51 4.44 4.45 1nf7A1 PRO 39 HB2 -0.01 0.10 0.11 -0.04 2.28 2.44 1nf7A1 PRO 39 HB3 -0.02 -0.07 0.13 -0.04 2.02 2.03 1nf7A1 PRO 39 HG2 -0.01 0.04 0.04 -0.04 2.03 2.06 1nf7A1 PRO 39 HG3 -0.01 -0.05 0.08 -0.04 2.03 2.01 1nf7A1 PRO 39 HD2 -0.01 -0.01 0.21 -0.04 3.68 3.82 1nf7A1 PRO 39 HD3 -0.01 0.09 0.20 -0.04 3.65 3.89 1nf7A1 GLY 40 H -0.00 0.44 0.24 -0.55 8.43 8.56 1nf7A1 GLY 40 HA2 0.03 0.11 0.90 -0.51 4.01 4.54 1nf7A1 GLY 40 HA3 0.04 0.17 0.52 -0.51 4.01 4.23 1nf7A1 TYR 41 H 0.15 0.22 0.21 -0.55 8.29 8.32 1nf7A1 TYR 41 HA -0.03 0.14 0.99 -0.75 4.56 4.90 1nf7A1 TYR 41 HB2 -0.00 0.01 0.01 -0.04 3.06 3.04 1nf7A1 TYR 41 HB3 0.02 0.00 0.14 -0.04 2.98 3.10 1nf7A1 TYR 41 HD2 0.02 0.00 -0.03 -0.04 7.15 7.10 1nf7A1 TYR 41 HE2 0.01 -0.04 -0.05 -0.04 6.85 6.74 1nf7A1 ILE 42 H -0.43 0.17 0.12 -0.55 8.25 7.57 1nf7A1 ILE 42 HA -0.62 0.20 0.86 -0.75 4.18 3.87 1nf7A1 ILE 42 HB -0.30 -0.01 0.10 -0.04 1.89 1.64 1nf7A1 ILE 42 HG12 -0.37 -0.10 -0.18 -0.04 1.49 0.80 1nf7A1 ILE 42 HG13 -0.35 0.29 -0.28 -0.04 1.21 0.83 1nf7A1 ILE 42 HG23 -0.41 -0.02 -0.17 -0.04 0.93 0.29 1nf7A1 ILE 42 HD13 -0.13 -0.03 -0.19 -0.04 0.88 0.49 1nf7A1 ASP 43 H -0.76 0.22 0.02 -0.55 8.40 7.34 1nf7A1 ASP 43 HA -0.27 0.11 0.62 -0.75 4.63 4.33 1nf7A1 ASP 43 HB2 0.06 -0.03 0.14 -0.04 2.71 2.84 1nf7A1 ASP 43 HB3 -0.46 0.06 -0.23 -0.04 2.70 2.03 1nf7A1 PHE 44 H -0.54 0.34 0.06 -0.55 8.34 7.65 1nf7A1 PHE 44 HA -0.04 0.04 0.38 -0.75 4.62 4.25 1nf7A1 PHE 44 HB2 -0.04 0.01 0.03 -0.04 3.15 3.12 1nf7A1 PHE 44 HB3 -0.03 0.20 0.13 -0.04 3.06 3.31 1nf7A1 PHE 44 HD2 -0.05 0.11 -0.48 -0.04 7.28 6.82 1nf7A1 PHE 44 HE2 -0.04 0.14 -0.19 -0.04 7.38 7.24 1nf7A1 PHE 44 HZ -0.03 -0.00 -0.60 -0.04 7.32 6.64 1nf7A1 THR 45 H 0.10 0.15 0.11 -0.55 8.28 8.10 1nf7A1 THR 45 HA -0.07 0.17 0.72 -0.75 4.39 4.47 1nf7A1 THR 45 HB -0.00 -0.06 0.06 -0.04 4.32 4.27 1nf7A1 THR 45 HG23 -0.01 0.02 -0.02 -0.04 1.22 1.17 1nf7A1 ALA 46 H -0.05 0.16 0.15 -0.55 8.40 8.12 1nf7A1 ALA 46 HA -0.00 0.16 0.29 -0.75 4.34 4.04 1nf7A1 ALA 46 HB3 -0.27 0.01 0.03 -0.04 1.41 1.14 1nf7A1 ASP 47 H -0.05 0.04 -0.18 -0.55 8.40 7.66 1nf7A1 ASP 47 HA -0.06 0.13 0.40 -0.75 4.63 4.34 1nf7A1 ASP 47 HB2 -0.02 0.06 0.12 -0.04 2.71 2.83 1nf7A1 ASP 47 HB3 -0.04 -0.04 0.09 -0.04 2.70 2.67 1nf7A1 GLN 48 H 0.04 0.52 -0.58 -0.55 8.47 7.90 1nf7A1 GLN 48 HA -0.00 0.10 0.60 -0.75 4.36 4.30 1nf7A1 GLN 48 HB2 0.12 0.17 0.04 -0.04 2.15 2.43 1nf7A1 GLN 48 HB3 0.00 -0.02 0.13 -0.04 2.02 2.09 1nf7A1 GLN 48 HG2 0.02 0.03 -0.00 -0.04 2.40 2.41 1nf7A1 GLN 48 HG3 0.04 -0.12 -0.03 -0.04 2.39 2.25 1nf7A1 GLN 48 HE21 0.07 0.02 0.07 -0.04 6.97 7.09 1nf7A1 GLN 48 HE22 0.02 0.06 0.06 -0.04 7.69 7.79 1nf7A1 VAL 49 H 0.01 0.45 -0.20 -0.55 8.24 7.94 1nf7A1 VAL 49 HA -0.05 0.21 0.58 -0.75 4.13 4.11 1nf7A1 VAL 49 HB -0.02 -0.03 0.13 -0.04 2.12 2.15 1nf7A1 VAL 49 HG13 -0.01 -0.05 -0.37 -0.04 0.97 0.51 1nf7A1 VAL 49 HG23 0.11 0.04 0.05 -0.04 0.95 1.11 1nf7A1 ASP 50 H -0.05 0.61 0.42 -0.55 8.40 8.83 1nf7A1 ASP 50 HA -0.02 0.12 0.78 -0.75 4.63 4.75 1nf7A1 ASP 50 HB2 -0.03 0.08 0.14 -0.04 2.71 2.86 1nf7A1 ASP 50 HB3 -0.04 0.01 0.34 -0.04 2.70 2.96 1nf7A1 LEU 51 H -0.02 0.25 0.22 -0.55 8.37 8.27 1nf7A1 LEU 51 HA -0.01 0.04 0.74 -0.75 4.35 4.36 1nf7A1 LEU 51 HB2 -0.02 0.17 0.17 -0.04 1.64 1.92 1nf7A1 LEU 51 HB3 -0.02 -0.07 0.17 -0.04 1.64 1.68 1nf7A1 LEU 51 HG -0.03 0.12 -0.11 -0.04 1.64 1.58 1nf7A1 LEU 51 HD13 -0.04 0.01 0.01 -0.04 0.93 0.87 1nf7A1 LEU 51 HD23 -0.02 -0.02 -0.23 -0.04 0.89 0.57 1nf7A1 THR 52 H -0.01 -0.06 -0.17 -0.55 8.28 7.49 1nf7A1 THR 52 HA -0.00 0.24 0.40 -0.75 4.39 4.27 1nf7A1 THR 52 HB -0.01 -0.11 0.06 -0.04 4.32 4.22 1nf7A1 THR 52 HG23 0.00 0.03 -0.14 -0.04 1.22 1.07 1nf7A1 SER 53 H 0.01 0.54 0.23 -0.55 8.46 8.69 1nf7A1 SER 53 HA 0.01 0.02 0.60 -0.75 4.49 4.37 1nf7A1 SER 53 HB2 0.02 0.17 0.10 -0.04 3.95 4.20 1nf7A1 SER 53 HB3 0.01 0.00 -0.02 -0.04 3.93 3.88 1nf7A1 ALA 54 H 0.02 0.13 0.12 -0.55 8.40 8.12 1nf7A1 ALA 54 HA 0.02 0.12 0.93 -0.75 4.34 4.65 1nf7A1 ALA 54 HB3 0.02 0.06 0.04 -0.04 1.41 1.48 1nf7A1 LEU 55 H 0.03 0.36 0.14 -0.55 8.37 8.36 1nf7A1 LEU 55 HA 0.04 0.09 0.55 -0.75 4.35 4.28 1nf7A1 LEU 55 HB2 0.05 0.03 -0.16 -0.04 1.64 1.52 1nf7A1 LEU 55 HB3 0.05 -0.02 -0.14 -0.04 1.64 1.49 1nf7A1 LEU 55 HG 0.11 -0.02 -0.28 -0.04 1.64 1.41 1nf7A1 LEU 55 HD13 0.09 -0.00 -0.20 -0.04 0.93 0.78 1nf7A1 LEU 55 HD23 0.16 -0.01 -0.24 -0.04 0.89 0.75 1nf7A1 THR 56 H 0.03 0.38 0.18 -0.55 8.28 8.32 1nf7A1 THR 56 HA 0.03 0.36 0.62 -0.75 4.39 4.64 1nf7A1 THR 56 HB 0.03 -0.03 0.19 -0.04 4.32 4.47 1nf7A1 THR 56 HG23 0.06 -0.01 -0.39 -0.04 1.22 0.84 1nf7A1 LYS 57 H 0.02 0.30 0.30 -0.55 8.42 8.49 1nf7A1 LYS 57 HA 0.01 0.14 0.49 -0.75 4.32 4.21 1nf7A1 LYS 57 HB2 0.02 -0.08 0.14 -0.04 1.87 1.91 1nf7A1 LYS 57 HB3 0.01 0.03 0.15 -0.04 1.79 1.95 1nf7A1 LYS 57 HG2 0.02 0.32 0.22 -0.04 1.46 1.98 1nf7A1 LYS 57 HG3 0.02 0.00 0.32 -0.04 1.46 1.76 1nf7A1 LYS 57 HD2 0.02 0.09 0.11 -0.04 1.69 1.87 1nf7A1 LYS 57 HD3 0.02 -0.06 0.09 -0.04 1.68 1.69 1nf7A1 LYS 57 HE2 0.02 -0.09 0.06 -0.04 2.99 2.94 1nf7A1 LYS 57 HE3 0.03 0.17 0.04 -0.04 2.99 3.19 1nf7A1 LYS 58 H 0.02 -0.10 -0.23 -0.55 8.42 7.55 1nf7A1 LYS 58 HA 0.01 0.27 0.93 -0.75 4.32 4.77 1nf7A1 LYS 58 HB2 0.01 -0.06 -0.01 -0.04 1.87 1.77 1nf7A1 LYS 58 HB3 0.00 0.01 0.02 -0.04 1.79 1.79 1nf7A1 LYS 58 HG2 0.01 -0.08 -0.11 -0.04 1.46 1.24 1nf7A1 LYS 58 HG3 0.01 0.04 -0.04 -0.04 1.46 1.42 1nf7A1 LYS 58 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.63 1nf7A1 LYS 58 HD3 0.01 0.09 -0.11 -0.04 1.68 1.62 1nf7A1 LYS 58 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 1nf7A1 LYS 58 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.91 1nf7A1 ILE 59 H 0.02 -0.11 -0.10 -0.55 8.25 7.51 1nf7A1 ILE 59 HA 0.01 0.28 0.89 -0.75 4.18 4.60 1nf7A1 ILE 59 HB 0.02 -0.14 -0.05 -0.04 1.89 1.68 1nf7A1 ILE 59 HG12 0.00 0.11 -0.19 -0.04 1.49 1.38 1nf7A1 ILE 59 HG13 0.01 -0.13 -0.08 -0.04 1.21 0.97 1nf7A1 ILE 59 HG23 0.00 0.03 -0.12 -0.04 0.93 0.80 1nf7A1 ILE 59 HD13 -0.01 0.02 -0.15 -0.04 0.88 0.71 1nf7A1 THR 60 H 0.01 0.29 0.17 -0.55 8.28 8.20 1nf7A1 THR 60 HA 0.01 0.06 1.02 -0.75 4.39 4.72 1nf7A1 THR 60 HB 0.01 -0.01 0.03 -0.04 4.32 4.30 1nf7A1 THR 60 HG23 0.01 0.02 -0.26 -0.04 1.22 0.95 1nf7A1 LEU 61 H 0.01 0.51 0.26 -0.55 8.37 8.61 1nf7A1 LEU 61 HA 0.01 0.20 0.95 -0.75 4.35 4.75 1nf7A1 LEU 61 HB2 0.02 0.10 -0.01 -0.04 1.64 1.70 1nf7A1 LEU 61 HB3 0.01 0.18 0.23 -0.04 1.64 2.02 1nf7A1 LEU 61 HG 0.03 -0.07 -0.16 -0.04 1.64 1.40 1nf7A1 LEU 61 HD13 0.04 0.02 -0.21 -0.04 0.93 0.74 1nf7A1 LEU 61 HD23 0.02 -0.04 -0.44 -0.04 0.89 0.39 1nf7A1 LYS 62 H 0.01 0.34 0.27 -0.55 8.42 8.49 1nf7A1 LYS 62 HA 0.00 0.00 0.57 -0.75 4.32 4.15 1nf7A1 LYS 62 HB2 0.01 0.14 0.25 -0.04 1.87 2.23 1nf7A1 LYS 62 HB3 0.01 -0.11 0.08 -0.04 1.79 1.73 1nf7A1 LYS 62 HG2 0.01 0.06 0.10 -0.04 1.46 1.59 1nf7A1 LYS 62 HG3 0.02 -0.02 0.19 -0.04 1.46 1.61 1nf7A1 LYS 62 HD2 0.00 -0.10 0.10 -0.04 1.69 1.65 1nf7A1 LYS 62 HD3 0.00 -0.02 0.03 -0.04 1.68 1.65 1nf7A1 LYS 62 HE2 0.01 -0.01 0.04 -0.04 2.99 2.99 1nf7A1 LYS 62 HE3 0.00 -0.08 0.04 -0.04 2.99 2.91 1nf7A1 THR 63 H 0.01 0.47 0.03 -0.55 8.28 8.23 1nf7A1 THR 63 HA -0.01 0.25 0.80 -0.75 4.39 4.67 1nf7A1 THR 63 HB -0.02 -0.02 -0.02 -0.04 4.32 4.22 1nf7A1 THR 63 HG23 0.00 0.12 -0.21 -0.04 1.22 1.10 1nf7A1 PRO 64 HA 0.01 0.16 0.39 -0.51 4.44 4.49 1nf7A1 PRO 64 HB2 0.00 -0.16 0.12 -0.04 2.28 2.19 1nf7A1 PRO 64 HB3 0.00 0.27 0.12 -0.04 2.02 2.37 1nf7A1 PRO 64 HG2 -0.02 -0.11 -0.11 -0.04 2.03 1.75 1nf7A1 PRO 64 HG3 -0.01 0.04 -0.01 -0.04 2.03 2.01 1nf7A1 PRO 64 HD2 -0.02 -0.00 0.15 -0.04 3.68 3.76 1nf7A1 PRO 64 HD3 -0.01 0.51 0.13 -0.04 3.65 4.24 1nf7A1 LEU 65 H -0.00 0.09 -0.68 -0.55 8.37 7.23 1nf7A1 LEU 65 HA 0.01 0.13 0.59 -0.75 4.35 4.33 1nf7A1 LEU 65 HB2 0.00 0.03 -0.09 -0.04 1.64 1.54 1nf7A1 LEU 65 HB3 0.01 -0.08 -0.07 -0.04 1.64 1.46 1nf7A1 LEU 65 HG -0.03 0.03 -0.15 -0.04 1.64 1.44 1nf7A1 LEU 65 HD13 -0.05 -0.01 -0.10 -0.04 0.93 0.73 1nf7A1 LEU 65 HD23 -0.03 -0.00 -0.19 -0.04 0.89 0.64 1nf7A1 VAL 66 H 0.02 0.23 0.21 -0.55 8.24 8.15 1nf7A1 VAL 66 HA 0.07 0.19 0.76 -0.75 4.13 4.40 1nf7A1 VAL 66 HB 0.01 -0.04 -0.14 -0.04 2.12 1.90 1nf7A1 VAL 66 HG13 0.09 0.01 -0.36 -0.04 0.97 0.67 1nf7A1 VAL 66 HG23 0.06 0.01 -0.47 -0.04 0.95 0.52 1nf7A1 SER 67 H 0.08 0.51 0.25 -0.55 8.46 8.75 1nf7A1 SER 67 HA 0.04 0.03 0.59 -0.75 4.49 4.39 1nf7A1 SER 67 HB2 0.04 0.05 -0.03 -0.04 3.95 3.97 1nf7A1 SER 67 HB3 0.03 0.01 0.02 -0.04 3.93 3.95 1nf7A1 SER 68 H 0.03 0.41 0.33 -0.55 8.46 8.68 1nf7A1 SER 68 HA -0.03 0.20 0.52 -0.75 4.49 4.43 1nf7A1 SER 68 HB2 0.01 -0.03 -0.16 -0.04 3.95 3.73 1nf7A1 SER 68 HB3 0.05 -0.07 0.09 -0.04 3.93 3.96 1nf7A1 PRO 69 HA 0.13 0.49 0.46 -0.51 4.44 5.01 1nf7A1 PRO 69 HB2 -0.01 -0.08 0.14 -0.04 2.28 2.28 1nf7A1 PRO 69 HB3 0.08 0.10 -0.17 -0.04 2.02 1.99 1nf7A1 PRO 69 HG2 -0.10 0.03 -0.08 -0.04 2.03 1.84 1nf7A1 PRO 69 HG3 0.08 0.09 -0.11 -0.04 2.03 2.05 1nf7A1 PRO 69 HD2 -0.05 0.01 0.02 -0.04 3.68 3.63 1nf7A1 PRO 69 HD3 -0.11 0.17 0.12 -0.04 3.65 3.79 1nf7A1 MET 70 H 0.08 0.52 0.06 -0.55 8.47 8.57 1nf7A1 MET 70 HA 0.02 0.17 0.97 -0.75 4.52 4.92 1nf7A1 MET 70 HB2 0.09 0.01 0.05 -0.04 2.15 2.26 1nf7A1 MET 70 HB3 0.00 0.07 0.06 -0.04 2.03 2.11 1nf7A1 MET 70 HG2 0.02 -0.05 -0.07 -0.04 2.63 2.49 1nf7A1 MET 70 HG3 0.05 -0.01 -0.51 -0.04 2.56 2.05 1nf7A1 MET 70 HE3 -0.07 -0.03 -0.05 -0.04 2.10 1.92 1nf7A1 ASP 71 H -0.25 0.17 0.13 -0.55 8.40 7.90 1nf7A1 ASP 71 HA -1.18 0.15 0.34 -0.75 4.63 3.19 1nf7A1 ASP 71 HB2 -0.46 0.11 0.18 -0.04 2.71 2.50 1nf7A1 ASP 71 HB3 -0.83 -0.02 0.14 -0.04 2.70 1.94 1nf7A1 THR 72 H -0.05 -0.10 -0.90 -0.55 8.28 6.68 1nf7A1 THR 72 HA -0.03 0.30 0.75 -0.75 4.39 4.66 1nf7A1 THR 72 HB 0.23 -0.09 -0.05 -0.04 4.32 4.37 1nf7A1 THR 72 HG23 0.04 0.02 -0.22 -0.04 1.22 1.02 1nf7A1 VAL 73 H 0.02 0.44 0.16 -0.55 8.24 8.31 1nf7A1 VAL 73 HA -0.00 0.39 1.17 -0.75 4.13 4.93 1nf7A1 VAL 73 HB 0.06 -0.01 0.28 -0.04 2.12 2.41 1nf7A1 VAL 73 HG13 -0.00 0.04 0.01 -0.04 0.97 0.98 1nf7A1 VAL 73 HG23 0.11 -0.06 -0.19 -0.04 0.95 0.77 1nf7A1 THR 74 H 0.07 0.22 0.35 -0.55 8.28 8.37 1nf7A1 THR 74 HA 0.04 0.15 1.03 -0.75 4.39 4.86 1nf7A1 THR 74 HB 0.12 0.23 0.12 -0.04 4.32 4.74 1nf7A1 THR 74 HG23 0.06 -0.10 -0.43 -0.04 1.22 0.70 1nf7A1 GLU 75 H 0.03 0.17 0.10 -0.55 8.60 8.35 1nf7A1 GLU 75 HA 0.05 0.09 0.56 -0.75 4.29 4.24 1nf7A1 GLU 75 HB2 0.10 0.05 -0.41 -0.04 2.09 1.80 1nf7A1 GLU 75 HB3 0.05 0.02 -0.03 -0.04 1.99 1.99 1nf7A1 GLU 75 HG2 0.05 0.00 -0.02 -0.04 2.34 2.33 1nf7A1 GLU 75 HG3 0.08 0.01 0.11 -0.04 2.34 2.50 1nf7A1 ALA 76 H 0.00 0.24 0.09 -0.55 8.40 8.19 1nf7A1 ALA 76 HA -0.03 0.18 0.38 -0.75 4.34 4.12 1nf7A1 ALA 76 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 1nf7A1 GLY 77 H 0.00 0.11 0.06 -0.55 8.43 8.06 1nf7A1 GLY 77 HA2 -0.04 0.03 0.43 -0.51 4.01 3.92 1nf7A1 GLY 77 HA3 -0.01 0.14 0.42 -0.51 4.01 4.06 1nf7A1 MET 78 H -0.01 0.73 0.04 -0.55 8.47 8.67 1nf7A1 MET 78 HA -0.05 -0.02 0.52 -0.75 4.52 4.22 1nf7A1 MET 78 HB2 -0.01 0.31 0.10 -0.04 2.15 2.50 1nf7A1 MET 78 HB3 0.00 -0.43 0.19 -0.04 2.03 1.75 1nf7A1 MET 78 HG2 0.01 0.18 -0.06 -0.04 2.63 2.72 1nf7A1 MET 78 HG3 -0.00 -0.12 -0.22 -0.04 2.56 2.17 1nf7A1 MET 78 HE3 -0.04 0.00 0.00 -0.04 2.10 2.03 1nf7A1 ALA 79 H -0.03 0.11 -0.45 -0.55 8.40 7.48 1nf7A1 ALA 79 HA -0.04 -0.06 0.26 -0.75 4.34 3.74 1nf7A1 ALA 79 HB3 -0.06 0.03 -0.06 -0.04 1.41 1.28 1nf7A1 ILE 80 H -0.11 0.37 -0.58 -0.55 8.25 7.38 1nf7A1 ILE 80 HA -0.22 0.20 0.61 -0.75 4.18 4.02 1nf7A1 ILE 80 HB -0.23 0.03 0.12 -0.04 1.89 1.78 1nf7A1 ILE 80 HG12 -0.28 0.09 -0.03 -0.04 1.49 1.23 1nf7A1 ILE 80 HG13 -0.15 0.15 -0.07 -0.04 1.21 1.10 1nf7A1 ILE 80 HG23 -0.79 -0.01 -0.14 -0.04 0.93 -0.05 1nf7A1 ILE 80 HD13 -0.21 -0.02 -0.16 -0.04 0.88 0.45 1nf7A1 ALA 81 H -0.14 0.61 0.10 -0.55 8.40 8.42 1nf7A1 ALA 81 HA -0.27 0.05 0.35 -0.75 4.34 3.71 1nf7A1 ALA 81 HB3 -0.24 -0.02 0.11 -0.04 1.41 1.21 1nf7A1 MET 82 H -0.11 0.70 -0.17 -0.55 8.47 8.34 1nf7A1 MET 82 HA -0.06 -0.06 0.20 -0.75 4.52 3.85 1nf7A1 MET 82 HB2 -0.04 0.21 -0.02 -0.04 2.15 2.26 1nf7A1 MET 82 HB3 -0.03 0.04 -0.33 -0.04 2.03 1.67 1nf7A1 MET 82 HG2 0.02 0.01 -0.15 -0.04 2.63 2.47 1nf7A1 MET 82 HG3 0.00 -0.05 -0.22 -0.04 2.56 2.25 1nf7A1 MET 82 HE3 -0.01 -0.01 -0.07 -0.04 2.10 1.97 1nf7A1 ALA 83 H -0.09 0.30 -0.53 -0.55 8.40 7.53 1nf7A1 ALA 83 HA -0.04 0.43 0.40 -0.75 4.34 4.38 1nf7A1 ALA 83 HB3 -0.08 0.06 0.23 -0.04 1.41 1.58 1nf7A1 LEU 84 H -0.14 0.61 -0.19 -0.55 8.37 8.11 1nf7A1 LEU 84 HA -0.08 0.03 0.51 -0.75 4.35 4.05 1nf7A1 LEU 84 HB2 -0.16 0.05 0.16 -0.04 1.64 1.65 1nf7A1 LEU 84 HB3 -0.39 -0.09 -0.02 -0.04 1.64 1.10 1nf7A1 LEU 84 HG -0.25 0.10 0.01 -0.04 1.64 1.46 1nf7A1 LEU 84 HD13 -0.34 -0.03 -0.09 -0.04 0.93 0.42 1nf7A1 LEU 84 HD23 -0.53 -0.01 0.03 -0.04 0.89 0.34 1nf7A1 THR 85 H -0.06 0.61 -0.14 -0.55 8.28 8.14 1nf7A1 THR 85 HA 0.14 0.07 0.53 -0.75 4.39 4.37 1nf7A1 THR 85 HB 0.02 -0.10 0.09 -0.04 4.32 4.28 1nf7A1 THR 85 HG23 -0.08 0.11 -0.04 -0.04 1.22 1.16 1nf7A1 GLY 86 H 0.01 0.32 -0.66 -0.55 8.43 7.55 1nf7A1 GLY 86 HA2 0.02 0.24 0.11 -0.51 4.01 3.87 1nf7A1 GLY 86 HA3 0.02 0.09 0.80 -0.51 4.01 4.41 1nf7A1 GLY 87 H -0.01 0.48 -0.01 -0.55 8.43 8.35 1nf7A1 GLY 87 HA2 0.01 0.28 0.85 -0.51 4.01 4.65 1nf7A1 GLY 87 HA3 0.01 -0.09 0.26 -0.51 4.01 3.68 1nf7A1 ILE 88 H 0.04 0.32 0.19 -0.55 8.25 8.25 1nf7A1 ILE 88 HA -0.02 0.24 0.62 -0.75 4.18 4.27 1nf7A1 ILE 88 HB 0.02 0.12 -0.31 -0.04 1.89 1.67 1nf7A1 ILE 88 HG12 -0.13 -0.05 -0.00 -0.04 1.49 1.27 1nf7A1 ILE 88 HG13 -0.08 0.14 -0.07 -0.04 1.21 1.16 1nf7A1 ILE 88 HG23 0.20 0.00 -0.26 -0.04 0.93 0.83 1nf7A1 ILE 88 HD13 -0.08 -0.01 -0.23 -0.04 0.88 0.52 1nf7A1 GLY 89 H -0.06 0.32 0.15 -0.55 8.43 8.29 1nf7A1 GLY 89 HA2 0.18 0.14 0.84 -0.51 4.01 4.66 1nf7A1 GLY 89 HA3 0.03 -0.03 0.17 -0.51 4.01 3.66 1nf7A1 PHE 90 H 0.27 0.25 -0.13 -0.55 8.34 8.17 1nf7A1 PHE 90 HA -0.02 0.28 0.54 -0.75 4.62 4.67 1nf7A1 PHE 90 HB2 -0.01 0.00 -0.12 -0.04 3.15 2.98 1nf7A1 PHE 90 HB3 -0.02 -0.02 -0.27 -0.04 3.06 2.70 1nf7A1 PHE 90 HD2 -0.02 -0.07 -0.48 -0.04 7.28 6.67 1nf7A1 PHE 90 HE2 -0.01 0.02 -0.40 -0.04 7.38 6.94 1nf7A1 PHE 90 HZ -0.01 0.05 -0.30 -0.04 7.32 7.03 1nf7A1 ILE 91 H -0.03 0.54 0.10 -0.55 8.25 8.31 1nf7A1 ILE 91 HA 0.06 0.06 0.32 -0.75 4.18 3.86 1nf7A1 ILE 91 HB -0.04 0.04 0.09 -0.04 1.89 1.93 1nf7A1 ILE 91 HG12 -0.07 0.31 0.16 -0.04 1.49 1.85 1nf7A1 ILE 91 HG13 -0.05 0.07 -0.10 -0.04 1.21 1.09 1nf7A1 ILE 91 HG23 -0.07 0.00 0.05 -0.04 0.93 0.87 1nf7A1 ILE 91 HD13 -0.02 -0.09 -0.17 -0.04 0.88 0.56 1nf7A1 HIS 92 H 0.22 0.24 0.15 -0.55 8.41 8.48 1nf7A1 HIS 92 HA 0.01 0.10 0.35 -0.75 4.63 4.33 1nf7A1 HIS 92 HB2 0.09 -0.05 -0.03 -0.04 3.26 3.23 1nf7A1 HIS 92 HB3 0.05 -0.07 -0.49 -0.04 3.20 2.65 1nf7A1 HIS 92 HD2 0.04 0.30 0.03 -0.04 6.97 7.29 1nf7A1 HIS 92 HE1 0.01 0.23 -0.01 -0.04 7.75 7.93 1nf7A1 HIS 93 H 0.39 0.09 0.06 -0.55 8.41 8.41 1nf7A1 HIS 93 HA -0.06 0.30 0.94 -0.75 4.63 5.06 1nf7A1 HIS 93 HB2 0.02 -0.06 0.25 -0.04 3.26 3.43 1nf7A1 HIS 93 HB3 0.02 0.48 0.09 -0.04 3.20 3.75 1nf7A1 HIS 93 HD2 0.10 -0.05 -0.08 -0.04 6.97 6.90 1nf7A1 HIS 93 HE1 0.04 -0.02 -0.21 -0.04 7.75 7.52 1nf7A1 ASN 94 H 0.47 0.10 -0.32 -0.55 8.53 8.24 1nf7A1 ASN 94 HA 0.05 0.18 0.78 -0.75 4.76 5.02 1nf7A1 ASN 94 HB2 0.21 -0.12 0.08 -0.04 2.88 3.00 1nf7A1 ASN 94 HB3 0.29 -0.02 0.21 -0.04 2.79 3.22 1nf7A1 ASN 94 HD21 -0.00 0.43 0.20 -0.04 7.03 7.61 1nf7A1 ASN 94 HD22 -0.00 -0.23 0.10 -0.04 7.74 7.56 1nf7A1 CYS 95 H 0.03 0.42 -0.28 -0.55 8.50 8.12 1nf7A1 CYS 95 HA 0.01 0.03 0.36 -0.75 4.58 4.22 1nf7A1 CYS 95 HB2 -0.01 -0.05 0.01 -0.04 2.97 2.88 1nf7A1 CYS 95 HB3 -0.01 0.23 0.18 -0.04 2.97 3.33 1nf7A1 THR 96 H 0.08 0.14 0.12 -0.55 8.28 8.07 1nf7A1 THR 96 HA 0.08 0.12 0.39 -0.75 4.39 4.22 1nf7A1 THR 96 HB 0.13 0.06 0.13 -0.04 4.32 4.60 1nf7A1 THR 96 HG23 0.14 0.03 0.13 -0.04 1.22 1.47 1nf7A1 PRO 97 HA 0.01 0.12 0.43 -0.51 4.44 4.48 1nf7A1 PRO 97 HB2 -0.04 0.02 0.07 -0.04 2.28 2.29 1nf7A1 PRO 97 HB3 -0.13 0.06 0.16 -0.04 2.02 2.08 1nf7A1 PRO 97 HG2 0.18 0.04 0.12 -0.04 2.03 2.32 1nf7A1 PRO 97 HG3 0.05 0.07 0.18 -0.04 2.03 2.29 1nf7A1 PRO 97 HD2 0.14 0.09 0.22 -0.04 3.68 4.09 1nf7A1 PRO 97 HD3 0.08 0.14 0.25 -0.04 3.65 4.08 1nf7A1 GLU 98 H 0.06 0.07 -0.31 -0.55 8.60 7.87 1nf7A1 GLU 98 HA -0.06 0.11 0.34 -0.75 4.29 3.92 1nf7A1 GLU 98 HB2 -0.06 -0.09 0.05 -0.04 2.09 1.95 1nf7A1 GLU 98 HB3 -0.19 0.09 -0.04 -0.04 1.99 1.81 1nf7A1 GLU 98 HG2 -0.01 0.06 0.01 -0.04 2.34 2.36 1nf7A1 GLU 98 HG3 0.01 0.06 0.02 -0.04 2.34 2.39 1nf7A1 PHE 99 H 0.16 0.13 -0.15 -0.55 8.34 7.93 1nf7A1 PHE 99 HA -0.01 0.08 0.40 -0.75 4.62 4.34 1nf7A1 PHE 99 HB2 -0.01 0.04 0.03 -0.04 3.15 3.16 1nf7A1 PHE 99 HB3 -0.02 0.02 -0.09 -0.04 3.06 2.93 1nf7A1 PHE 99 HD2 0.00 -0.04 0.02 -0.04 7.28 7.23 1nf7A1 PHE 99 HE2 0.01 0.02 -0.00 -0.04 7.38 7.37 1nf7A1 PHE 99 HZ 0.01 0.03 -0.00 -0.04 7.32 7.31 1nf7A1 GLN 100 H 0.10 0.42 -0.25 -0.55 8.47 8.19 1nf7A1 GLN 100 HA -0.02 0.00 0.38 -0.75 4.36 3.97 1nf7A1 GLN 100 HB2 -0.03 0.00 0.01 -0.04 2.15 2.10 1nf7A1 GLN 100 HB3 0.00 0.02 0.07 -0.04 2.02 2.07 1nf7A1 GLN 100 HG2 -0.03 -0.02 -0.35 -0.04 2.40 1.95 1nf7A1 GLN 100 HG3 -0.06 0.05 -0.04 -0.04 2.39 2.29 1nf7A1 GLN 100 HE21 0.03 -0.03 -0.08 -0.04 6.97 6.85 1nf7A1 GLN 100 HE22 -0.02 0.01 -0.12 -0.04 7.69 7.52 1nf7A1 ALA 101 H -0.02 0.82 -0.11 -0.55 8.40 8.54 1nf7A1 ALA 101 HA -0.05 0.00 0.33 -0.75 4.34 3.86 1nf7A1 ALA 101 HB3 -0.07 0.04 -0.04 -0.04 1.41 1.29 1nf7A1 ASN 102 H -0.03 0.39 -0.32 -0.55 8.53 8.03 1nf7A1 ASN 102 HA -0.04 0.04 0.43 -0.75 4.76 4.43 1nf7A1 ASN 102 HB2 -0.10 0.04 0.11 -0.04 2.88 2.88 1nf7A1 ASN 102 HB3 0.01 0.11 0.18 -0.04 2.79 3.05 1nf7A1 ASN 102 HD21 -0.02 0.04 -0.03 -0.04 7.03 6.98 1nf7A1 ASN 102 HD22 -0.04 0.01 0.04 -0.04 7.74 7.71 1nf7A1 GLU 103 H 0.02 0.54 -0.08 -0.55 8.60 8.53 1nf7A1 GLU 103 HA 0.02 -0.02 0.34 -0.75 4.29 3.87 1nf7A1 GLU 103 HB2 -0.02 0.27 0.18 -0.04 2.09 2.48 1nf7A1 GLU 103 HB3 -0.01 -0.25 0.09 -0.04 1.99 1.78 1nf7A1 GLU 103 HG2 0.05 0.18 0.07 -0.04 2.34 2.60 1nf7A1 GLU 103 HG3 0.00 -0.08 0.06 -0.04 2.34 2.28 1nf7A1 VAL 104 H -0.03 0.32 -0.70 -0.55 8.24 7.28 1nf7A1 VAL 104 HA -0.05 -0.02 0.48 -0.75 4.13 3.79 1nf7A1 VAL 104 HB -0.05 0.20 0.19 -0.04 2.12 2.42 1nf7A1 VAL 104 HG13 -0.07 0.03 -0.28 -0.04 0.97 0.61 1nf7A1 VAL 104 HG23 -0.07 0.03 -0.04 -0.04 0.95 0.83 1nf7A1 ARG 105 H -0.04 0.43 0.14 -0.55 8.46 8.45 1nf7A1 ARG 105 HA -0.03 0.20 0.36 -0.75 4.34 4.12 1nf7A1 ARG 105 HB2 -0.03 -0.02 0.19 -0.04 1.90 1.99 1nf7A1 ARG 105 HB3 -0.02 -0.01 0.12 -0.04 1.80 1.84 1nf7A1 ARG 105 HG2 -0.01 0.02 -0.09 -0.04 1.67 1.55 1nf7A1 ARG 105 HG3 -0.02 0.05 0.03 -0.04 1.67 1.69 1nf7A1 ARG 105 HD2 -0.02 -0.00 -0.04 -0.04 3.22 3.13 1nf7A1 ARG 105 HD3 -0.02 -0.05 -0.02 -0.04 3.22 3.09 1nf7A1 LYS 106 H -0.01 0.66 -0.25 -0.55 8.42 8.27 1nf7A1 LYS 106 HA 0.03 0.06 0.27 -0.75 4.32 3.92 1nf7A1 LYS 106 HB2 0.02 -0.02 -0.02 -0.04 1.87 1.80 1nf7A1 LYS 106 HB3 0.01 0.00 0.02 -0.04 1.79 1.78 1nf7A1 LYS 106 HG2 0.04 -0.01 -0.32 -0.04 1.46 1.13 1nf7A1 LYS 106 HG3 0.05 0.07 -0.10 -0.04 1.46 1.43 1nf7A1 LYS 106 HD2 0.03 -0.11 -0.03 -0.04 1.69 1.54 1nf7A1 LYS 106 HD3 0.04 -0.08 -0.09 -0.04 1.68 1.51 1nf7A1 LYS 106 HE2 0.05 -0.07 -0.07 -0.04 2.99 2.86 1nf7A1 LYS 106 HE3 0.04 0.06 -0.08 -0.04 2.99 2.97 1nf7A1 VAL 107 H -0.01 0.35 -0.38 -0.55 8.24 7.65 1nf7A1 VAL 107 HA -0.00 -0.06 0.43 -0.75 4.13 3.75 1nf7A1 VAL 107 HB -0.05 0.14 0.24 -0.04 2.12 2.42 1nf7A1 VAL 107 HG13 -0.08 -0.02 -0.24 -0.04 0.97 0.60 1nf7A1 VAL 107 HG23 -0.05 0.01 0.07 -0.04 0.95 0.94 1nf7A1 LYS 108 H -0.03 0.74 0.09 -0.55 8.42 8.67 1nf7A1 LYS 108 HA -0.02 0.05 0.27 -0.75 4.32 3.87 1nf7A1 LYS 108 HB2 -0.04 -0.03 -0.04 -0.04 1.87 1.72 1nf7A1 LYS 108 HB3 -0.03 0.03 0.02 -0.04 1.79 1.77 1nf7A1 LYS 108 HG2 -0.05 0.12 0.11 -0.04 1.46 1.61 1nf7A1 LYS 108 HG3 -0.03 -0.12 0.09 -0.04 1.46 1.36 1nf7A1 LYS 108 HD2 -0.04 0.12 0.05 -0.04 1.69 1.77 1nf7A1 LYS 108 HD3 -0.06 -0.12 0.01 -0.04 1.68 1.48 1nf7A1 LYS 108 HE2 -0.05 0.18 0.08 -0.04 2.99 3.16 1nf7A1 LYS 108 HE3 -0.04 -0.14 0.04 -0.04 2.99 2.81 1nf7A1 LYS 109 H 0.02 0.47 -0.72 -0.55 8.42 7.64 1nf7A1 LYS 109 HA -0.02 0.16 1.02 -0.75 4.32 4.73 1nf7A1 LYS 109 HB2 -0.03 -0.09 0.16 -0.04 1.87 1.87 1nf7A1 LYS 109 HB3 -0.02 -0.05 -0.08 -0.04 1.79 1.60 1nf7A1 LYS 109 HG2 -0.00 0.22 -0.04 -0.04 1.46 1.60 1nf7A1 LYS 109 HG3 0.01 0.06 -0.01 -0.04 1.46 1.48 1nf7A1 LYS 109 HD2 -0.00 -0.07 -0.03 -0.04 1.69 1.55 1nf7A1 LYS 109 HD3 -0.01 -0.01 0.05 -0.04 1.68 1.67 1nf7A1 LYS 109 HE2 -0.02 0.03 -0.01 -0.04 2.99 2.95 1nf7A1 LYS 109 HE3 -0.01 -0.05 -0.03 -0.04 2.99 2.86 1nf7A1 TYR 110 H 0.12 0.42 -0.02 -0.55 8.29 8.27 1nf7A1 TYR 110 HA -0.02 0.14 0.74 -0.75 4.56 4.66 1nf7A1 TYR 110 HB2 -0.02 0.07 0.16 -0.04 3.06 3.23 1nf7A1 TYR 110 HB3 -0.04 0.10 0.23 -0.04 2.98 3.23 1nf7A1 TYR 110 HD2 -0.02 0.03 -0.12 -0.04 7.15 6.99 1nf7A1 TYR 110 HE2 -0.02 -0.06 -0.11 -0.04 6.85 6.62 1nf7A1 GLU 111 H -0.53 0.30 0.12 -0.55 8.60 7.94 1nf7A1 GLU 111 HA -0.30 0.11 0.89 -0.75 4.29 4.24 1nf7A1 GLU 111 HB2 -0.38 0.10 -0.15 -0.04 2.09 1.63 1nf7A1 GLU 111 HB3 -0.64 0.01 0.03 -0.04 1.99 1.34 1nf7A1 GLU 111 HG2 -0.65 0.04 -0.16 -0.04 2.34 1.53 1nf7A1 GLU 111 HG3 -0.28 -0.08 0.05 -0.04 2.34 1.98 1nf7A1 GLN 112 H -0.15 0.14 0.12 -0.55 8.47 8.04 1nf7A1 GLN 112 HA -0.08 -0.01 0.37 -0.75 4.36 3.89 1nf7A1 GLN 112 HB2 0.03 0.03 0.19 -0.04 2.15 2.35 1nf7A1 GLN 112 HB3 0.06 -0.01 0.02 -0.04 2.02 2.05 1nf7A1 GLN 112 HG2 0.17 0.00 0.07 -0.04 2.40 2.59 1nf7A1 GLN 112 HG3 0.15 0.03 0.04 -0.04 2.39 2.57 1nf7A1 GLN 112 HE21 0.15 -0.01 0.08 -0.04 6.97 7.15 1nf7A1 GLN 112 HE22 0.25 0.00 0.03 -0.04 7.69 7.93 1nf7A1 GLY 113 H 0.04 0.09 0.16 -0.55 8.43 8.17 1nf7A1 GLY 113 HA2 0.04 0.06 0.46 -0.51 4.01 4.06 1nf7A1 GLY 113 HA3 0.08 -0.01 0.47 -0.51 4.01 4.05 1nf7A1 PHE 114 H 0.49 0.53 -0.38 -0.55 8.34 8.43 1nf7A1 PHE 114 HA -0.05 -0.12 0.45 -0.75 4.62 4.14 1nf7A1 PHE 114 HB2 -0.16 0.15 0.12 -0.04 3.15 3.22 1nf7A1 PHE 114 HB3 -0.08 0.06 0.01 -0.04 3.06 3.01 1nf7A1 PHE 114 HD2 -0.06 0.18 0.00 -0.04 7.28 7.36 1nf7A1 PHE 114 HE2 -0.03 -0.06 -0.10 -0.04 7.38 7.15 1nf7A1 PHE 114 HZ -0.02 0.02 -0.14 -0.04 7.32 7.14 1nf7A1 ILE 115 H -0.00 0.49 0.32 -0.55 8.25 8.51 1nf7A1 ILE 115 HA 0.03 -0.02 0.35 -0.75 4.18 3.78 1nf7A1 ILE 115 HB 0.02 0.03 0.17 -0.04 1.89 2.07 1nf7A1 ILE 115 HG12 0.01 -0.07 0.01 -0.04 1.49 1.40 1nf7A1 ILE 115 HG13 -0.02 0.09 -0.09 -0.04 1.21 1.14 1nf7A1 ILE 115 HG23 0.03 -0.04 -0.33 -0.04 0.93 0.55 1nf7A1 ILE 115 HD13 -0.00 -0.03 -0.05 -0.04 0.88 0.75 1nf7A1 THR 116 H 0.07 0.02 0.11 -0.55 8.28 7.93 1nf7A1 THR 116 HA 0.14 0.10 0.35 -0.75 4.39 4.23 1nf7A1 THR 116 HB 0.09 0.02 0.06 -0.04 4.32 4.45 1nf7A1 THR 116 HG23 0.15 0.00 0.05 -0.04 1.22 1.37 1nf7A1 ASP 117 H 0.06 0.03 -0.14 -0.55 8.40 7.81 1nf7A1 ASP 117 HA 0.05 0.28 0.63 -0.75 4.63 4.84 1nf7A1 ASP 117 HB2 0.05 -0.11 0.09 -0.04 2.71 2.70 1nf7A1 ASP 117 HB3 0.04 0.03 0.00 -0.04 2.70 2.73 1nf7A1 PRO 118 HA 0.03 -0.12 0.37 -0.51 4.44 4.21 1nf7A1 PRO 118 HB2 0.02 0.12 -0.03 -0.04 2.28 2.34 1nf7A1 PRO 118 HB3 0.02 -0.02 0.04 -0.04 2.02 2.01 1nf7A1 PRO 118 HG2 0.02 0.03 -0.02 -0.04 2.03 2.02 1nf7A1 PRO 118 HG3 0.02 0.03 -0.04 -0.04 2.03 2.00 1nf7A1 PRO 118 HD2 0.04 0.20 0.02 -0.04 3.68 3.90 1nf7A1 PRO 118 HD3 0.04 0.16 -0.18 -0.04 3.65 3.63 1nf7A1 VAL 119 H 0.03 -0.00 0.19 -0.55 8.24 7.91 1nf7A1 VAL 119 HA 0.03 0.05 0.46 -0.75 4.13 3.92 1nf7A1 VAL 119 HB 0.03 -0.01 0.15 -0.04 2.12 2.24 1nf7A1 VAL 119 HG13 0.02 -0.01 -0.07 -0.04 0.97 0.86 1nf7A1 VAL 119 HG23 0.02 0.00 0.03 -0.04 0.95 0.96 1nf7A1 VAL 120 H 0.02 0.19 0.21 -0.55 8.24 8.11 1nf7A1 VAL 120 HA 0.02 0.11 0.57 -0.75 4.13 4.07 1nf7A1 VAL 120 HB 0.02 0.19 -0.35 -0.04 2.12 1.94 1nf7A1 VAL 120 HG13 0.01 -0.03 -0.15 -0.04 0.97 0.77 1nf7A1 VAL 120 HG23 0.01 0.03 0.04 -0.04 0.95 0.99 1nf7A1 LEU 121 H 0.01 0.29 0.15 -0.55 8.37 8.28 1nf7A1 LEU 121 HA 0.01 0.11 0.78 -0.75 4.35 4.50 1nf7A1 LEU 121 HB2 0.02 0.05 -0.05 -0.04 1.64 1.61 1nf7A1 LEU 121 HB3 0.02 0.01 0.07 -0.04 1.64 1.69 1nf7A1 LEU 121 HG 0.01 -0.05 -0.37 -0.04 1.64 1.19 1nf7A1 LEU 121 HD13 0.01 0.01 -0.07 -0.04 0.93 0.84 1nf7A1 LEU 121 HD23 0.01 0.03 0.04 -0.04 0.89 0.94 1nf7A1 SER 122 H 0.01 0.09 0.15 -0.55 8.46 8.17 1nf7A1 SER 122 HA -0.00 0.30 0.85 -0.75 4.49 4.89 1nf7A1 SER 122 HB2 -0.00 0.07 0.05 -0.04 3.95 4.02 1nf7A1 SER 122 HB3 -0.01 -0.08 0.09 -0.04 3.93 3.90 1nf7A1 PRO 123 HA 0.03 0.10 0.85 -0.51 4.44 4.91 1nf7A1 PRO 123 HB2 -0.12 -0.00 -0.03 -0.04 2.28 2.09 1nf7A1 PRO 123 HB3 -0.04 0.07 -0.08 -0.04 2.02 1.92 1nf7A1 PRO 123 HG2 -0.03 0.05 0.04 -0.04 2.03 2.04 1nf7A1 PRO 123 HG3 -0.01 0.17 -0.02 -0.04 2.03 2.13 1nf7A1 PRO 123 HD2 -0.04 0.04 0.20 -0.04 3.68 3.85 1nf7A1 PRO 123 HD3 -0.01 0.22 0.29 -0.04 3.65 4.11 1nf7A1 LYS 124 H -0.05 0.05 -0.51 -0.55 8.42 7.36 1nf7A1 LYS 124 HA -0.15 0.10 0.19 -0.75 4.32 3.70 1nf7A1 LYS 124 HB2 -0.02 0.02 0.02 -0.04 1.87 1.86 1nf7A1 LYS 124 HB3 -0.04 0.03 0.04 -0.04 1.79 1.79 1nf7A1 LYS 124 HG2 -0.05 -0.03 0.01 -0.04 1.46 1.35 1nf7A1 LYS 124 HG3 -0.04 0.03 0.01 -0.04 1.46 1.42 1nf7A1 LYS 124 HD2 -0.13 0.03 -0.04 -0.04 1.69 1.51 1nf7A1 LYS 124 HD3 -0.17 -0.08 -0.14 -0.04 1.68 1.24 1nf7A1 LYS 124 HE2 -0.07 0.01 -0.00 -0.04 2.99 2.89 1nf7A1 LYS 124 HE3 -0.06 0.01 -0.01 -0.04 2.99 2.89 1nf7A1 GLY 156 HA2 0.01 -0.11 0.18 -0.51 4.01 3.58 1nf7A1 GLY 156 HA3 0.01 0.11 0.17 -0.51 4.01 3.80 1nf7A1 ILE 157 H 0.01 0.00 0.05 -0.55 8.25 7.76 1nf7A1 ILE 157 HA 0.01 0.07 0.31 -0.75 4.18 3.82 1nf7A1 ILE 157 HB 0.01 -0.03 0.01 -0.04 1.89 1.85 1nf7A1 ILE 157 HG12 0.00 0.02 0.05 -0.04 1.49 1.52 1nf7A1 ILE 157 HG13 0.00 0.04 0.04 -0.04 1.21 1.25 1nf7A1 ILE 157 HG23 0.01 -0.04 0.02 -0.04 0.93 0.88 1nf7A1 ILE 157 HD13 0.00 0.02 0.05 -0.04 0.88 0.91 1nf7A1 ILE 158 H 0.01 0.09 -0.03 -0.55 8.25 7.77 1nf7A1 ILE 158 HA 0.02 0.16 0.61 -0.75 4.18 4.22 1nf7A1 ILE 158 HB 0.02 -0.07 0.08 -0.04 1.89 1.88 1nf7A1 ILE 158 HG12 0.02 0.03 -0.60 -0.04 1.49 0.90 1nf7A1 ILE 158 HG13 0.02 -0.08 -0.20 -0.04 1.21 0.91 1nf7A1 ILE 158 HG23 0.02 -0.01 -0.12 -0.04 0.93 0.78 1nf7A1 ILE 158 HD13 0.03 0.11 -0.03 -0.04 0.88 0.94 1nf7A1 SER 159 H 0.01 0.17 -0.01 -0.55 8.46 8.09 1nf7A1 SER 159 HA 0.01 0.09 0.60 -0.75 4.49 4.43 1nf7A1 SER 159 HB2 0.01 -0.02 0.04 -0.04 3.95 3.95 1nf7A1 SER 159 HB3 0.01 0.05 0.09 -0.04 3.93 4.03 1nf7A1 SER 160 H 0.01 0.17 0.17 -0.55 8.46 8.27 1nf7A1 SER 160 HA 0.02 0.07 0.28 -0.75 4.49 4.10 1nf7A1 SER 160 HB2 0.01 -0.03 0.02 -0.04 3.95 3.92 1nf7A1 SER 160 HB3 0.01 0.04 -0.01 -0.04 3.93 3.94 1nf7A1 ARG 161 H 0.02 -0.03 -0.56 -0.55 8.46 7.34 1nf7A1 ARG 161 HA 0.04 -0.02 0.30 -0.75 4.34 3.90 1nf7A1 ARG 161 HB2 0.03 0.02 0.08 -0.04 1.90 1.99 1nf7A1 ARG 161 HB3 0.03 -0.01 0.06 -0.04 1.80 1.84 1nf7A1 ARG 161 HG2 0.02 0.19 -0.08 -0.04 1.67 1.76 1nf7A1 ARG 161 HG3 0.02 0.02 0.03 -0.04 1.67 1.69 1nf7A1 ARG 161 HD2 0.02 0.04 0.01 -0.04 3.22 3.25 1nf7A1 ARG 161 HD3 0.02 -0.09 -0.04 -0.04 3.22 3.07 1nf7A1 ASP 162 H 0.03 0.21 -0.08 -0.55 8.40 8.02 1nf7A1 ASP 162 HA 0.06 -0.01 0.37 -0.75 4.63 4.29 1nf7A1 ASP 162 HB2 0.03 -0.10 0.06 -0.04 2.71 2.66 1nf7A1 ASP 162 HB3 0.04 0.22 0.04 -0.04 2.70 2.95 1nf7A1 ILE 163 H 0.03 0.03 -0.14 -0.55 8.25 7.62 1nf7A1 ILE 163 HA 0.04 -0.01 0.26 -0.75 4.18 3.72 1nf7A1 ILE 163 HB 0.02 0.01 -0.04 -0.04 1.89 1.84 1nf7A1 ILE 163 HG12 0.02 0.00 -0.05 -0.04 1.49 1.43 1nf7A1 ILE 163 HG13 0.02 0.03 -0.08 -0.04 1.21 1.14 1nf7A1 ILE 163 HG23 0.02 -0.02 -0.01 -0.04 0.93 0.87 1nf7A1 ILE 163 HD13 0.01 -0.02 -0.02 -0.04 0.88 0.81 1nf7A1 ASP 164 H 0.03 0.32 -0.56 -0.55 8.40 7.63 1nf7A1 ASP 164 HA -0.03 -0.07 0.45 -0.75 4.63 4.23 1nf7A1 ASP 164 HB2 0.03 -0.06 0.28 -0.04 2.71 2.92 1nf7A1 ASP 164 HB3 -0.10 -0.13 0.07 -0.04 2.70 2.50 1nf7A1 PHE 165 H 0.15 0.11 0.16 -0.55 8.34 8.21 1nf7A1 PHE 165 HA 0.00 0.12 0.53 -0.75 4.62 4.52 1nf7A1 PHE 165 HB2 0.00 0.01 0.14 -0.04 3.15 3.27 1nf7A1 PHE 165 HB3 0.00 -0.02 0.06 -0.04 3.06 3.06 1nf7A1 PHE 165 HD2 -0.00 -0.04 0.08 -0.04 7.28 7.28 1nf7A1 PHE 165 HE2 -0.00 -0.01 0.01 -0.04 7.38 7.34 1nf7A1 PHE 165 HZ -0.00 -0.03 0.00 -0.04 7.32 7.25 1nf7A1 LEU 166 H 0.51 0.04 0.08 -0.55 8.37 8.44 1nf7A1 LEU 166 HA 0.09 -0.02 0.25 -0.75 4.35 3.91 1nf7A1 LEU 166 HB2 0.07 0.21 -0.17 -0.04 1.64 1.70 1nf7A1 LEU 166 HB3 0.03 -0.00 0.09 -0.04 1.64 1.71 1nf7A1 LEU 166 HG -0.03 -0.08 -0.05 -0.04 1.64 1.45 1nf7A1 LEU 166 HD13 -0.01 0.00 -0.05 -0.04 0.93 0.84 1nf7A1 LEU 166 HD23 -0.04 -0.01 0.04 -0.04 0.89 0.84 1nf7A1 GLU 170 HA -0.19 -0.10 0.28 -0.75 4.29 3.52 1nf7A1 GLU 170 HB2 -0.05 -0.03 0.07 -0.04 2.09 2.04 1nf7A1 GLU 170 HB3 -0.03 -0.02 -0.07 -0.04 1.99 1.83 1nf7A1 GLU 170 HG2 -0.03 -0.04 -0.09 -0.04 2.34 2.14 1nf7A1 GLU 170 HG3 -0.02 0.01 -0.44 -0.04 2.34 1.85 1nf7A1 HIS 171 H -0.30 0.04 0.06 -0.55 8.41 7.66 1nf7A1 HIS 171 HA -0.01 0.12 0.45 -0.75 4.63 4.44 1nf7A1 HIS 171 HB2 0.00 -0.08 0.20 -0.04 3.26 3.35 1nf7A1 HIS 171 HB3 0.00 0.03 0.09 -0.04 3.20 3.28 1nf7A1 HIS 171 HD2 0.01 -0.05 0.05 -0.04 6.97 6.93 1nf7A1 HIS 171 HE1 -0.00 0.06 0.02 -0.04 7.75 7.78 1nf7A1 ASP 172 H 0.03 0.38 0.29 -0.55 8.40 8.56 1nf7A1 ASP 172 HA -0.04 -0.05 0.20 -0.75 4.63 3.99 1nf7A1 ASP 172 HB2 -0.06 0.01 0.01 -0.04 2.71 2.63 1nf7A1 ASP 172 HB3 -0.12 -0.08 0.01 -0.04 2.70 2.48 1nf7A1 CYS 173 H -0.16 0.05 0.10 -0.55 8.50 7.94 1nf7A1 CYS 173 HA -0.10 -0.01 0.41 -0.75 4.58 4.13 1nf7A1 CYS 173 HB2 -0.41 -0.02 0.18 -0.04 2.97 2.68 1nf7A1 CYS 173 HB3 -0.31 -0.00 0.05 -0.04 2.97 2.67 1nf7A1 PHE 174 H 0.04 0.08 0.25 -0.55 8.34 8.16 1nf7A1 PHE 174 HA 0.01 0.04 0.41 -0.75 4.62 4.33 1nf7A1 PHE 174 HB2 0.01 0.10 0.34 -0.04 3.15 3.55 1nf7A1 PHE 174 HB3 0.01 0.02 0.11 -0.04 3.06 3.16 1nf7A1 PHE 174 HD2 0.01 -0.12 -0.17 -0.04 7.28 6.95 1nf7A1 PHE 174 HE2 0.01 -0.03 -0.12 -0.04 7.38 7.20 1nf7A1 PHE 174 HZ 0.01 -0.02 -0.07 -0.04 7.32 7.20 1nf7A1 LEU 175 H 0.23 0.17 0.17 -0.55 8.37 8.41 1nf7A1 LEU 175 HA 0.08 0.08 0.39 -0.75 4.35 4.15 1nf7A1 LEU 175 HB2 0.10 0.05 0.12 -0.04 1.64 1.87 1nf7A1 LEU 175 HB3 0.07 0.04 -0.11 -0.04 1.64 1.59 1nf7A1 LEU 175 HG 0.08 -0.08 0.06 -0.04 1.64 1.66 1nf7A1 LEU 175 HD13 0.05 -0.05 -0.03 -0.04 0.93 0.86 1nf7A1 LEU 175 HD23 0.02 0.00 -0.06 -0.04 0.89 0.81 1nf7A1 GLU 176 H 0.32 0.40 0.24 -0.55 8.60 9.01 1nf7A1 GLU 176 HA 0.12 0.19 0.49 -0.75 4.29 4.34 1nf7A1 GLU 176 HB2 0.07 -0.12 0.09 -0.04 2.09 2.10 1nf7A1 GLU 176 HB3 0.30 -0.02 0.01 -0.04 1.99 2.24 1nf7A1 GLU 176 HG2 0.09 0.11 0.06 -0.04 2.34 2.56 1nf7A1 GLU 176 HG3 0.04 -0.05 -0.07 -0.04 2.34 2.21 1nf7A1 GLU 177 H 0.26 0.14 -0.64 -0.55 8.60 7.81 1nf7A1 GLU 177 HA 0.04 0.03 0.51 -0.75 4.29 4.11 1nf7A1 GLU 177 HB2 -0.99 0.53 0.16 -0.04 2.09 1.74 1nf7A1 GLU 177 HB3 -0.33 -0.08 -0.06 -0.04 1.99 1.48 1nf7A1 GLU 177 HG2 0.03 -0.07 -0.05 -0.04 2.34 2.21 1nf7A1 GLU 177 HG3 -0.82 -0.01 0.01 -0.04 2.34 1.48 1nf7A1 ILE 178 H -0.08 0.53 -0.03 -0.55 8.25 8.12 1nf7A1 ILE 178 HA -0.02 -0.04 0.30 -0.75 4.18 3.67 1nf7A1 ILE 178 HB 0.02 -0.05 0.08 -0.04 1.89 1.91 1nf7A1 ILE 178 HG12 -0.01 0.59 0.05 -0.04 1.49 2.08 1nf7A1 ILE 178 HG13 0.03 0.17 -0.07 -0.04 1.21 1.30 1nf7A1 ILE 178 HG23 -0.01 -0.02 -0.02 -0.04 0.93 0.84 1nf7A1 ILE 178 HD13 0.03 -0.06 -0.16 -0.04 0.88 0.65 1nf7A1 MET 179 H 0.03 0.12 -1.84 -0.55 8.47 6.23 1nf7A1 MET 179 HA 0.03 -0.06 0.44 -0.75 4.52 4.17 1nf7A1 MET 179 HB2 0.05 0.21 -0.19 -0.04 2.15 2.17 1nf7A1 MET 179 HB3 0.04 -0.02 0.02 -0.04 2.03 2.03 1nf7A1 MET 179 HG2 0.03 0.58 0.01 -0.04 2.63 3.21 1nf7A1 MET 179 HG3 0.03 -0.11 -0.16 -0.04 2.56 2.28 1nf7A1 MET 179 HE3 0.02 0.00 -0.08 -0.04 2.10 2.00 1nf7A1 THR 180 H 0.02 0.12 -0.02 -0.55 8.28 7.85 1nf7A1 THR 180 HA 0.04 0.26 0.85 -0.75 4.39 4.79 1nf7A1 THR 180 HB 0.02 -0.08 0.22 -0.04 4.32 4.44 1nf7A1 THR 180 HG23 0.03 -0.03 -0.01 -0.04 1.22 1.16 1nf7A1 LYS 181 H 0.03 0.43 -0.22 -0.55 8.42 8.10 1nf7A1 LYS 181 HA 0.02 -0.01 0.56 -0.75 4.32 4.13 1nf7A1 LYS 181 HB2 0.02 0.11 0.03 -0.04 1.87 1.99 1nf7A1 LYS 181 HB3 0.01 -0.07 -0.03 -0.04 1.79 1.67 1nf7A1 LYS 181 HG2 0.02 -0.03 -0.14 -0.04 1.46 1.26 1nf7A1 LYS 181 HG3 0.02 0.17 -0.22 -0.04 1.46 1.39 1nf7A1 LYS 181 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.59 1nf7A1 LYS 181 HD3 0.02 0.00 -0.12 -0.04 1.68 1.54 1nf7A1 LYS 181 HE2 0.02 0.03 -0.08 -0.04 2.99 2.92 1nf7A1 LYS 181 HE3 0.01 -0.14 -0.09 -0.04 2.99 2.74 1nf7A1 ARG 182 H 0.01 0.21 0.20 -0.55 8.46 8.34 1nf7A1 ARG 182 HA 0.01 -0.03 0.28 -0.75 4.34 3.85 1nf7A1 ARG 182 HB2 0.01 0.16 -0.02 -0.04 1.90 2.01 1nf7A1 ARG 182 HB3 0.01 -0.13 0.09 -0.04 1.80 1.73 1nf7A1 ARG 182 HG2 0.01 0.00 0.11 -0.04 1.67 1.75 1nf7A1 ARG 182 HG3 0.01 0.08 0.21 -0.04 1.67 1.92 1nf7A1 ARG 182 HD2 0.01 -0.05 0.06 -0.04 3.22 3.19 1nf7A1 ARG 182 HD3 0.01 -0.01 0.06 -0.04 3.22 3.24 1nf7A1 GLU 183 H 0.01 0.07 0.13 -0.55 8.60 8.27 1nf7A1 GLU 183 HA 0.01 0.14 0.40 -0.75 4.29 4.08 1nf7A1 GLU 183 HB2 0.00 -0.00 -0.04 -0.04 2.09 2.01 1nf7A1 GLU 183 HB3 0.01 0.04 0.11 -0.04 1.99 2.11 1nf7A1 GLU 183 HG2 0.01 -0.12 0.13 -0.04 2.34 2.31 1nf7A1 GLU 183 HG3 0.01 0.01 0.05 -0.04 2.34 2.37 1nf7A1 ASP 184 H 0.01 -0.02 -0.24 -0.55 8.40 7.59 1nf7A1 ASP 184 HA 0.00 0.04 0.41 -0.75 4.63 4.33 1nf7A1 ASP 184 HB2 0.00 -0.04 0.12 -0.04 2.71 2.76 1nf7A1 ASP 184 HB3 0.00 0.02 0.05 -0.04 2.70 2.73 1nf7A1 LEU 185 H 0.00 0.42 0.35 -0.55 8.37 8.59 1nf7A1 LEU 185 HA 0.00 0.03 0.56 -0.75 4.35 4.19 1nf7A1 LEU 185 HB2 0.00 0.21 -0.37 -0.04 1.64 1.45 1nf7A1 LEU 185 HB3 0.00 0.06 -0.14 -0.04 1.64 1.52 1nf7A1 LEU 185 HG 0.00 -0.14 0.10 -0.04 1.64 1.56 1nf7A1 LEU 185 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.82 1nf7A1 LEU 185 HD23 -0.00 -0.01 -0.23 -0.04 0.89 0.61 1nf7A1 VAL 186 H -0.00 0.12 0.11 -0.55 8.24 7.92 1nf7A1 VAL 186 HA -0.00 0.03 0.46 -0.75 4.13 3.87 1nf7A1 VAL 186 HB -0.01 0.02 0.03 -0.04 2.12 2.11 1nf7A1 VAL 186 HG13 -0.00 -0.00 0.04 -0.04 0.97 0.96 1nf7A1 VAL 186 HG23 -0.00 -0.00 0.16 -0.04 0.95 1.06 1nf7A1 VAL 187 H -0.01 0.23 0.39 -0.55 8.24 8.30 1nf7A1 VAL 187 HA -0.01 0.21 0.80 -0.75 4.13 4.37 1nf7A1 VAL 187 HB -0.00 -0.05 -0.01 -0.04 2.12 2.02 1nf7A1 VAL 187 HG13 -0.01 -0.05 -0.02 -0.04 0.97 0.85 1nf7A1 VAL 187 HG23 -0.00 0.10 -0.27 -0.04 0.95 0.74 1nf7A1 ALA 188 H -0.02 0.50 0.34 -0.55 8.40 8.68 1nf7A1 ALA 188 HA -0.01 0.18 0.96 -0.75 4.34 4.72 1nf7A1 ALA 188 HB3 -0.03 -0.00 -0.05 -0.04 1.41 1.29 1nf7A1 PRO 189 HA 0.00 0.24 0.64 -0.51 4.44 4.81 1nf7A1 PRO 189 HB2 0.00 -0.05 0.12 -0.04 2.28 2.31 1nf7A1 PRO 189 HB3 0.00 0.08 0.14 -0.04 2.02 2.21 1nf7A1 PRO 189 HG2 0.00 -0.06 0.04 -0.04 2.03 1.96 1nf7A1 PRO 189 HG3 -0.00 0.08 0.08 -0.04 2.03 2.14 1nf7A1 PRO 189 HD2 -0.01 0.11 0.25 -0.04 3.68 3.99 1nf7A1 PRO 189 HD3 -0.00 0.19 0.17 -0.04 3.65 3.97 1nf7A1 ALA 190 H 0.01 0.28 0.28 -0.55 8.40 8.42 1nf7A1 ALA 190 HA 0.03 0.08 0.34 -0.75 4.34 4.03 1nf7A1 ALA 190 HB3 0.02 0.02 0.15 -0.04 1.41 1.56 1nf7A1 GLY 191 H 0.01 0.00 -0.62 -0.55 8.43 7.27 1nf7A1 GLY 191 HA2 0.02 0.11 0.46 -0.51 4.01 4.09 1nf7A1 GLY 191 HA3 0.01 -0.05 0.25 -0.51 4.01 3.70 1nf7A1 ILE 192 H 0.02 0.25 -0.59 -0.55 8.25 7.38 1nf7A1 ILE 192 HA -0.01 -0.11 0.25 -0.75 4.18 3.57 1nf7A1 ILE 192 HB -0.01 0.11 -0.06 -0.04 1.89 1.89 1nf7A1 ILE 192 HG12 -0.16 -0.01 -0.21 -0.04 1.49 1.07 1nf7A1 ILE 192 HG13 -0.09 -0.02 -0.49 -0.04 1.21 0.57 1nf7A1 ILE 192 HG23 0.09 0.00 -0.13 -0.04 0.93 0.86 1nf7A1 ILE 192 HD13 -0.09 -0.08 -0.06 -0.04 0.88 0.60 1nf7A1 THR 193 H -0.01 0.15 0.20 -0.55 8.28 8.07 1nf7A1 THR 193 HA 0.09 0.24 0.66 -0.75 4.39 4.63 1nf7A1 THR 193 HB 0.02 -0.25 0.04 -0.04 4.32 4.09 1nf7A1 THR 193 HG23 0.04 -0.02 0.10 -0.04 1.22 1.30 1nf7A1 LEU 194 H 0.07 0.28 0.13 -0.55 8.37 8.30 1nf7A1 LEU 194 HA -0.04 0.06 0.30 -0.75 4.35 3.92 1nf7A1 LEU 194 HB2 0.03 0.01 0.01 -0.04 1.64 1.65 1nf7A1 LEU 194 HB3 0.02 0.06 0.07 -0.04 1.64 1.75 1nf7A1 LEU 194 HG 0.13 -0.04 0.11 -0.04 1.64 1.80 1nf7A1 LEU 194 HD13 0.08 0.02 -0.02 -0.04 0.93 0.97 1nf7A1 LEU 194 HD23 0.14 0.04 -0.01 -0.04 0.89 1.01 1nf7A1 LYS 195 H 0.01 0.02 -0.44 -0.55 8.42 7.46 1nf7A1 LYS 195 HA 0.00 0.12 0.34 -0.75 4.32 4.03 1nf7A1 LYS 195 HB2 0.00 -0.10 0.10 -0.04 1.87 1.83 1nf7A1 LYS 195 HB3 0.00 0.06 0.02 -0.04 1.79 1.83 1nf7A1 LYS 195 HG2 0.02 0.04 0.01 -0.04 1.46 1.49 1nf7A1 LYS 195 HG3 0.02 -0.10 0.03 -0.04 1.46 1.37 1nf7A1 LYS 195 HD2 0.02 0.05 0.01 -0.04 1.69 1.72 1nf7A1 LYS 195 HD3 0.01 0.01 0.01 -0.04 1.68 1.67 1nf7A1 LYS 195 HE2 0.01 0.02 -0.00 -0.04 2.99 2.98 1nf7A1 LYS 195 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 1nf7A1 GLU 196 H -0.00 0.11 -0.01 -0.55 8.60 8.14 1nf7A1 GLU 196 HA -0.01 0.06 0.38 -0.75 4.29 3.96 1nf7A1 GLU 196 HB2 -0.01 0.00 0.09 -0.04 2.09 2.13 1nf7A1 GLU 196 HB3 -0.01 0.03 -0.03 -0.04 1.99 1.94 1nf7A1 GLU 196 HG2 -0.00 0.03 0.01 -0.04 2.34 2.34 1nf7A1 GLU 196 HG3 -0.00 -0.00 0.03 -0.04 2.34 2.32 1nf7A1 ALA 197 H -0.03 0.49 -0.31 -0.55 8.40 8.00 1nf7A1 ALA 197 HA -0.05 0.01 0.21 -0.75 4.34 3.75 1nf7A1 ALA 197 HB3 -0.09 0.02 -0.03 -0.04 1.41 1.26 1nf7A1 ASN 198 H -0.04 0.27 -0.05 -0.55 8.53 8.17 1nf7A1 ASN 198 HA -0.03 -0.01 0.23 -0.75 4.76 4.20 1nf7A1 ASN 198 HB2 -0.01 0.07 0.10 -0.04 2.88 3.00 1nf7A1 ASN 198 HB3 -0.01 -0.00 -0.02 -0.04 2.79 2.71 1nf7A1 ASN 198 HD21 -0.02 0.00 0.05 -0.04 7.03 7.02 1nf7A1 ASN 198 HD22 -0.02 0.34 0.15 -0.04 7.74 8.18 1nf7A1 GLU 199 H -0.01 0.30 -0.34 -0.55 8.60 8.00 1nf7A1 GLU 199 HA -0.01 -0.01 0.36 -0.75 4.29 3.88 1nf7A1 GLU 199 HB2 -0.01 0.03 0.10 -0.04 2.09 2.18 1nf7A1 GLU 199 HB3 -0.01 0.05 0.16 -0.04 1.99 2.15 1nf7A1 GLU 199 HG2 -0.01 -0.01 -0.19 -0.04 2.34 2.09 1nf7A1 GLU 199 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.28 1nf7A1 ILE 200 H -0.02 0.88 0.14 -0.55 8.25 8.70 1nf7A1 ILE 200 HA -0.01 -0.09 0.40 -0.75 4.18 3.73 1nf7A1 ILE 200 HB -0.02 0.15 0.11 -0.04 1.89 2.09 1nf7A1 ILE 200 HG12 -0.01 -0.10 0.08 -0.04 1.49 1.42 1nf7A1 ILE 200 HG13 -0.01 0.16 0.22 -0.04 1.21 1.54 1nf7A1 ILE 200 HG23 -0.01 -0.04 -0.10 -0.04 0.93 0.73 1nf7A1 ILE 200 HD13 -0.01 -0.05 -0.09 -0.04 0.88 0.69 1nf7A1 LEU 201 H -0.02 0.59 -0.50 -0.55 8.37 7.89 1nf7A1 LEU 201 HA -0.02 -0.12 0.26 -0.75 4.35 3.73 1nf7A1 LEU 201 HB2 -0.02 0.41 0.10 -0.04 1.64 2.08 1nf7A1 LEU 201 HB3 -0.02 0.17 -0.07 -0.04 1.64 1.68 1nf7A1 LEU 201 HG -0.04 -0.02 -0.28 -0.04 1.64 1.26 1nf7A1 LEU 201 HD13 -0.03 -0.22 -0.28 -0.04 0.93 0.36 1nf7A1 LEU 201 HD23 -0.04 0.06 -0.35 -0.04 0.89 0.51 1nf7A1 GLN 202 H -0.01 0.80 -0.19 -0.55 8.47 8.53 1nf7A1 GLN 202 HA -0.01 0.03 0.48 -0.75 4.36 4.11 1nf7A1 GLN 202 HB2 -0.01 0.05 0.19 -0.04 2.15 2.34 1nf7A1 GLN 202 HB3 -0.00 -0.08 0.05 -0.04 2.02 1.95 1nf7A1 GLN 202 HG2 -0.00 -0.07 0.05 -0.04 2.40 2.34 1nf7A1 GLN 202 HG3 -0.01 0.21 0.17 -0.04 2.39 2.72 1nf7A1 GLN 202 HE21 -0.00 -0.05 0.01 -0.04 6.97 6.89 1nf7A1 GLN 202 HE22 -0.00 -0.01 0.01 -0.04 7.69 7.65 1nf7A1 ARG 203 H -0.01 0.28 -0.03 -0.55 8.46 8.15 1nf7A1 ARG 203 HA -0.00 0.01 0.40 -0.75 4.34 3.99 1nf7A1 ARG 203 HB2 -0.01 0.21 0.23 -0.04 1.90 2.29 1nf7A1 ARG 203 HB3 -0.00 -0.02 -0.02 -0.04 1.80 1.72 1nf7A1 ARG 203 HG2 -0.00 -0.03 0.05 -0.04 1.67 1.65 1nf7A1 ARG 203 HG3 -0.00 -0.02 0.08 -0.04 1.67 1.69 1nf7A1 ARG 203 HD2 -0.00 -0.02 0.03 -0.04 3.22 3.18 1nf7A1 ARG 203 HD3 -0.01 0.04 0.06 -0.04 3.22 3.27 1nf7A1 SER 204 H -0.01 0.30 -0.25 -0.55 8.46 7.95 1nf7A1 SER 204 HA -0.00 0.09 0.58 -0.75 4.49 4.40 1nf7A1 SER 204 HB2 -0.00 -0.04 0.15 -0.04 3.95 4.01 1nf7A1 SER 204 HB3 -0.01 -0.03 0.07 -0.04 3.93 3.92 1nf7A1 LYS 205 H -0.00 0.31 -0.76 -0.55 8.42 7.41 1nf7A1 LYS 205 HA -0.00 0.00 0.41 -0.75 4.32 3.98 1nf7A1 LYS 205 HB2 0.00 0.02 -0.11 -0.04 1.87 1.74 1nf7A1 LYS 205 HB3 0.00 -0.12 0.22 -0.04 1.79 1.85 1nf7A1 LYS 205 HG2 -0.00 0.17 -0.06 -0.04 1.46 1.53 1nf7A1 LYS 205 HG3 0.00 -0.13 0.01 -0.04 1.46 1.29 1nf7A1 LYS 205 HD2 -0.00 0.14 0.21 -0.04 1.69 2.00 1nf7A1 LYS 205 HD3 -0.00 -0.10 0.05 -0.04 1.68 1.59 1nf7A1 LYS 205 HE2 -0.00 -0.07 0.04 -0.04 2.99 2.92 1nf7A1 LYS 205 HE3 0.00 -0.06 0.05 -0.04 2.99 2.94 1nf7A1 LYS 206 H -0.01 0.16 -0.51 -0.55 8.42 7.51 1nf7A1 LYS 206 HA -0.00 0.15 0.79 -0.75 4.32 4.51 1nf7A1 LYS 206 HB2 -0.00 0.19 0.00 -0.04 1.87 2.01 1nf7A1 LYS 206 HB3 -0.01 -0.07 -0.04 -0.04 1.79 1.62 1nf7A1 LYS 206 HG2 -0.01 0.09 -0.03 -0.04 1.46 1.47 1nf7A1 LYS 206 HG3 -0.01 -0.53 0.14 -0.04 1.46 1.02 1nf7A1 LYS 206 HD2 0.00 0.04 0.11 -0.04 1.69 1.80 1nf7A1 LYS 206 HD3 0.00 0.10 0.04 -0.04 1.68 1.78 1nf7A1 LYS 206 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 1nf7A1 LYS 206 HE3 0.00 -0.05 0.03 -0.04 2.99 2.94 1nf7A1 GLY 207 H -0.01 0.11 0.11 -0.55 8.43 8.10 1nf7A1 GLY 207 HA2 -0.01 0.26 0.92 -0.51 4.01 4.66 1nf7A1 GLY 207 HA3 -0.01 0.01 0.32 -0.51 4.01 3.83 1nf7A1 LYS 208 H -0.02 0.04 -0.06 -0.55 8.42 7.83 1nf7A1 LYS 208 HA -0.04 0.46 0.62 -0.75 4.32 4.60 1nf7A1 LYS 208 HB2 -0.02 0.05 0.11 -0.04 1.87 1.97 1nf7A1 LYS 208 HB3 -0.02 0.08 0.11 -0.04 1.79 1.92 1nf7A1 LYS 208 HG2 -0.01 -0.02 0.01 -0.04 1.46 1.40 1nf7A1 LYS 208 HG3 -0.00 0.03 -0.01 -0.04 1.46 1.43 1nf7A1 LYS 208 HD2 -0.01 -0.42 -0.39 -0.04 1.69 0.84 1nf7A1 LYS 208 HD3 -0.00 0.02 -0.07 -0.04 1.68 1.58 1nf7A1 LYS 208 HE2 0.00 0.00 -0.05 -0.04 2.99 2.91 1nf7A1 LYS 208 HE3 -0.01 0.19 -0.11 -0.04 2.99 3.03 1nf7A1 LEU 209 H -0.04 0.05 -0.04 -0.55 8.37 7.80 1nf7A1 LEU 209 HA -0.02 0.12 0.44 -0.75 4.35 4.13 1nf7A1 LEU 209 HB2 -0.03 0.08 -0.04 -0.04 1.64 1.62 1nf7A1 LEU 209 HB3 -0.04 -0.09 -0.01 -0.04 1.64 1.46 1nf7A1 LEU 209 HG -0.04 0.21 -0.46 -0.04 1.64 1.30 1nf7A1 LEU 209 HD13 -0.03 -0.01 -0.26 -0.04 0.93 0.59 1nf7A1 LEU 209 HD23 -0.08 -0.04 -0.14 -0.04 0.89 0.58 1nf7A1 PRO 210 HA -0.03 0.10 0.77 -0.51 4.44 4.77 1nf7A1 PRO 210 HB2 -0.01 0.00 0.01 -0.04 2.28 2.25 1nf7A1 PRO 210 HB3 -0.01 0.05 0.11 -0.04 2.02 2.13 1nf7A1 PRO 210 HG2 -0.01 -0.08 0.21 -0.04 2.03 2.11 1nf7A1 PRO 210 HG3 -0.01 0.03 0.09 -0.04 2.03 2.10 1nf7A1 PRO 210 HD2 -0.02 0.24 0.36 -0.04 3.68 4.23 1nf7A1 PRO 210 HD3 -0.01 0.16 0.26 -0.04 3.65 4.01 1nf7A1 ILE 211 H -0.02 0.64 0.45 -0.55 8.25 8.77 1nf7A1 ILE 211 HA -0.02 0.22 1.02 -0.75 4.18 4.66 1nf7A1 ILE 211 HB -0.01 0.00 -0.04 -0.04 1.89 1.81 1nf7A1 ILE 211 HG12 -0.11 -0.05 -0.19 -0.04 1.49 1.11 1nf7A1 ILE 211 HG13 -0.06 0.06 -0.34 -0.04 1.21 0.82 1nf7A1 ILE 211 HG23 0.01 0.02 -0.22 -0.04 0.93 0.69 1nf7A1 ILE 211 HD13 -0.13 -0.06 -0.15 -0.04 0.88 0.50 1nf7A1 VAL 212 H 0.00 0.56 0.23 -0.55 8.24 8.49 1nf7A1 VAL 212 HA 0.01 -0.02 0.75 -0.75 4.13 4.12 1nf7A1 VAL 212 HB 0.01 -0.16 -0.27 -0.04 2.12 1.66 1nf7A1 VAL 212 HG13 0.01 0.04 -0.41 -0.04 0.97 0.56 1nf7A1 VAL 212 HG23 0.00 0.03 -0.16 -0.04 0.95 0.78 1nf7A1 ASN 213 H 0.01 0.17 0.03 -0.55 8.53 8.20 1nf7A1 ASN 213 HA 0.01 0.11 0.52 -0.75 4.76 4.65 1nf7A1 ASN 213 HB2 0.01 0.05 0.09 -0.04 2.88 3.00 1nf7A1 ASN 213 HB3 0.01 0.12 0.13 -0.04 2.79 3.02 1nf7A1 ASN 213 HD21 0.00 0.15 0.13 -0.04 7.03 7.27 1nf7A1 ASN 213 HD22 0.01 0.19 0.12 -0.04 7.74 8.02 1nf7A1 GLU 214 H 0.01 -0.11 0.11 -0.55 8.60 8.06 1nf7A1 GLU 214 HA 0.00 0.22 0.70 -0.75 4.29 4.46 1nf7A1 GLU 214 HB2 0.00 -0.04 -0.01 -0.04 2.09 2.00 1nf7A1 GLU 214 HB3 0.00 0.03 -0.04 -0.04 1.99 1.94 1nf7A1 GLU 214 HG2 0.01 0.05 -0.23 -0.04 2.34 2.12 1nf7A1 GLU 214 HG3 0.00 -0.00 -0.02 -0.04 2.34 2.28 1nf7A1 ASP 215 H 0.00 0.02 0.11 -0.55 8.40 7.98 1nf7A1 ASP 215 HA 0.00 0.23 0.70 -0.75 4.63 4.82 1nf7A1 ASP 215 HB2 0.00 0.01 0.20 -0.04 2.71 2.88 1nf7A1 ASP 215 HB3 0.00 0.08 0.13 -0.04 2.70 2.87 1nf7A1 ASP 216 H 0.00 0.37 -0.44 -0.55 8.40 7.78 1nf7A1 ASP 216 HA 0.00 -0.03 0.14 -0.75 4.63 3.99 1nf7A1 ASP 216 HB2 0.00 0.01 -0.09 -0.04 2.71 2.59 1nf7A1 ASP 216 HB3 0.00 0.05 0.17 -0.04 2.70 2.89 1nf7A1 GLU 217 H 0.01 -0.13 -0.58 -0.55 8.60 7.36 1nf7A1 GLU 217 HA 0.00 0.19 0.90 -0.75 4.29 4.63 1nf7A1 GLU 217 HB2 0.00 0.03 0.07 -0.04 2.09 2.16 1nf7A1 GLU 217 HB3 0.00 0.08 0.05 -0.04 1.99 2.09 1nf7A1 GLU 217 HG2 0.00 -0.02 0.02 -0.04 2.34 2.30 1nf7A1 GLU 217 HG3 0.01 -0.08 0.12 -0.04 2.34 2.34 1nf7A1 LEU 218 H 0.01 0.20 -0.08 -0.55 8.37 7.94 1nf7A1 LEU 218 HA 0.01 0.07 0.46 -0.75 4.35 4.14 1nf7A1 LEU 218 HB2 0.01 0.00 0.08 -0.04 1.64 1.69 1nf7A1 LEU 218 HB3 0.01 0.02 0.07 -0.04 1.64 1.69 1nf7A1 LEU 218 HG 0.01 0.01 -0.08 -0.04 1.64 1.53 1nf7A1 LEU 218 HD13 0.02 -0.02 -0.47 -0.04 0.93 0.43 1nf7A1 LEU 218 HD23 0.00 0.08 0.05 -0.04 0.89 0.99 1nf7A1 VAL 219 H 0.02 0.13 0.36 -0.55 8.24 8.20 1nf7A1 VAL 219 HA 0.02 0.15 0.68 -0.75 4.13 4.23 1nf7A1 VAL 219 HB 0.05 -0.04 0.00 -0.04 2.12 2.09 1nf7A1 VAL 219 HG13 0.05 0.01 -0.07 -0.04 0.97 0.92 1nf7A1 VAL 219 HG23 0.02 -0.05 0.08 -0.04 0.95 0.97 1nf7A1 ALA 220 H 0.04 0.30 0.17 -0.55 8.40 8.36 1nf7A1 ALA 220 HA 0.07 0.15 0.29 -0.75 4.34 4.08 1nf7A1 ALA 220 HB3 0.25 0.06 -0.04 -0.04 1.41 1.63 1nf7A1 ILE 221 H 0.01 0.33 0.13 -0.55 8.25 8.17 1nf7A1 ILE 221 HA -0.07 0.10 1.00 -0.75 4.18 4.46 1nf7A1 ILE 221 HB -0.03 -0.01 -0.07 -0.04 1.89 1.75 1nf7A1 ILE 221 HG12 0.00 0.04 -0.08 -0.04 1.49 1.41 1nf7A1 ILE 221 HG13 0.00 -0.07 -0.43 -0.04 1.21 0.68 1nf7A1 ILE 221 HG23 -0.03 0.03 -0.20 -0.04 0.93 0.69 1nf7A1 ILE 221 HD13 0.02 -0.00 0.05 -0.04 0.88 0.91 1nf7A1 ILE 222 H -0.18 0.30 0.07 -0.55 8.25 7.90 1nf7A1 ILE 222 HA -0.37 0.08 0.49 -0.75 4.18 3.63 1nf7A1 ILE 222 HB -0.17 -0.03 -0.08 -0.04 1.89 1.56 1nf7A1 ILE 222 HG12 -0.31 0.03 -0.11 -0.04 1.49 1.06 1nf7A1 ILE 222 HG13 -0.29 -0.07 -0.17 -0.04 1.21 0.63 1nf7A1 ILE 222 HG23 -0.21 -0.00 -0.16 -0.04 0.93 0.52 1nf7A1 ILE 222 HD13 -1.19 0.01 -0.24 -0.04 0.88 -0.58 1nf7A1 ALA 223 H -0.11 0.39 0.15 -0.55 8.40 8.28 1nf7A1 ALA 223 HA -0.04 0.16 0.92 -0.75 4.34 4.62 1nf7A1 ALA 223 HB3 -0.02 0.02 -0.01 -0.04 1.41 1.36 1nf7A1 ARG 224 H -0.02 0.47 0.23 -0.55 8.46 8.58 1nf7A1 ARG 224 HA -0.01 0.06 0.52 -0.75 4.34 4.15 1nf7A1 ARG 224 HB2 -0.01 -0.06 0.21 -0.04 1.90 2.01 1nf7A1 ARG 224 HB3 -0.00 0.01 0.03 -0.04 1.80 1.79 1nf7A1 ARG 224 HG2 -0.02 -0.02 0.02 -0.04 1.67 1.61 1nf7A1 ARG 224 HG3 -0.02 -0.08 0.01 -0.04 1.67 1.54 1nf7A1 ARG 224 HD2 -0.01 0.01 0.15 -0.04 3.22 3.32 1nf7A1 ARG 224 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.14 1nf7A1 THR 225 H 0.00 0.05 0.02 -0.55 8.28 7.79 1nf7A1 THR 225 HA 0.01 0.12 0.30 -0.75 4.39 4.07 1nf7A1 THR 225 HB 0.01 -0.01 0.08 -0.04 4.32 4.36 1nf7A1 THR 225 HG23 0.01 0.01 0.04 -0.04 1.22 1.24 1nf7A1 LEU 227 HA 0.03 0.06 2.95 -0.75 4.35 6.64 1nf7A1 LEU 227 HB2 0.02 -0.07 0.13 -0.04 1.64 1.68 1nf7A1 LEU 227 HB3 0.02 0.02 0.14 -0.04 1.64 1.79 1nf7A1 LEU 227 HG 0.03 -0.02 0.01 -0.04 1.64 1.61 1nf7A1 LEU 227 HD13 0.03 -0.00 0.01 -0.04 0.93 0.92 1nf7A1 LEU 227 HD23 0.04 -0.03 -0.80 -0.04 0.89 0.07 1nf7A1 LYS 228 H 0.01 0.16 0.08 -0.55 8.42 8.11 1nf7A1 LYS 228 HA 0.01 0.21 0.73 -0.75 4.32 4.51 1nf7A1 LYS 228 HB2 0.01 -0.01 0.02 -0.04 1.87 1.85 1nf7A1 LYS 228 HB3 0.00 0.00 0.14 -0.04 1.79 1.90 1nf7A1 LYS 228 HG2 0.01 0.05 -0.07 -0.04 1.46 1.41 1nf7A1 LYS 228 HG3 0.01 -0.07 -0.19 -0.04 1.46 1.16 1nf7A1 LYS 228 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 1nf7A1 LYS 228 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.62 1nf7A1 LYS 228 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 1nf7A1 LYS 228 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 1nf7A1 LYS 229 H 0.01 0.13 -0.21 -0.55 8.42 7.80 1nf7A1 LYS 229 HA 0.00 0.07 0.32 -0.75 4.32 3.96 1nf7A1 LYS 229 HB2 -0.00 0.02 0.14 -0.04 1.87 1.98 1nf7A1 LYS 229 HB3 0.00 0.19 0.22 -0.04 1.79 2.16 1nf7A1 LYS 229 HG2 0.00 -0.09 -0.37 -0.04 1.46 0.95 1nf7A1 LYS 229 HG3 -0.00 -0.01 -0.02 -0.04 1.46 1.39 1nf7A1 LYS 229 HD2 -0.01 0.01 0.00 -0.04 1.69 1.65 1nf7A1 LYS 229 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.65 1nf7A1 LYS 229 HE2 -0.00 -0.02 -0.02 -0.04 2.99 2.90 1nf7A1 LYS 229 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.92 1nf7A1 ASN 230 H 0.02 0.12 0.02 -0.55 8.53 8.15 1nf7A1 ASN 230 HA 0.03 0.02 0.43 -0.75 4.76 4.48 1nf7A1 ASN 230 HB2 0.09 0.01 0.10 -0.04 2.88 3.04 1nf7A1 ASN 230 HB3 0.05 0.02 0.16 -0.04 2.79 2.98 1nf7A1 ASN 230 HD21 0.03 -0.02 -0.02 -0.04 7.03 6.98 1nf7A1 ASN 230 HD22 0.03 0.03 0.02 -0.04 7.74 7.78 1nf7A1 ARG 231 H -0.04 0.00 0.17 -0.55 8.46 8.04 1nf7A1 ARG 231 HA -0.10 0.17 0.54 -0.75 4.34 4.19 1nf7A1 ARG 231 HB2 -0.55 0.03 0.05 -0.04 1.90 1.39 1nf7A1 ARG 231 HB3 -0.21 -0.02 0.21 -0.04 1.80 1.74 1nf7A1 ARG 231 HG2 -0.09 0.01 0.07 -0.04 1.67 1.62 1nf7A1 ARG 231 HG3 -0.07 -0.01 0.14 -0.04 1.67 1.69 1nf7A1 ARG 231 HD2 -0.07 -0.01 0.02 -0.04 3.22 3.12 1nf7A1 ARG 231 HD3 -0.15 0.03 0.03 -0.04 3.22 3.08 1nf7A1 ASP 232 H -0.28 0.20 0.20 -0.55 8.40 7.97 1nf7A1 ASP 232 HA -0.11 0.17 0.86 -0.75 4.63 4.80 1nf7A1 ASP 232 HB2 -0.05 0.07 -0.02 -0.04 2.71 2.66 1nf7A1 ASP 232 HB3 -0.09 -0.04 0.13 -0.04 2.70 2.66 1nf7A1 TYR 233 H 0.12 0.22 0.05 -0.55 8.29 8.12 1nf7A1 TYR 233 HA 0.04 0.20 0.96 -0.75 4.56 5.01 1nf7A1 TYR 233 HB2 0.05 0.01 0.27 -0.04 3.06 3.35 1nf7A1 TYR 233 HB3 0.06 0.24 0.23 -0.04 2.98 3.47 1nf7A1 TYR 233 HD2 0.09 0.09 -0.06 -0.04 7.15 7.23 1nf7A1 TYR 233 HE2 0.03 -0.01 -0.08 -0.04 6.85 6.75 1nf7A1 PRO 234 HA 0.05 0.11 0.46 -0.51 4.44 4.55 1nf7A1 PRO 234 HB2 0.02 0.05 0.03 -0.04 2.28 2.34 1nf7A1 PRO 234 HB3 0.01 -0.01 0.07 -0.04 2.02 2.06 1nf7A1 PRO 234 HG2 0.03 0.03 0.05 -0.04 2.03 2.10 1nf7A1 PRO 234 HG3 0.00 0.03 0.05 -0.04 2.03 2.07 1nf7A1 PRO 234 HD2 0.02 0.16 0.27 -0.04 3.68 4.08 1nf7A1 PRO 234 HD3 -0.03 0.12 -0.23 -0.04 3.65 3.47 1nf7A1 LEU 235 H 0.09 0.07 -0.24 -0.55 8.37 7.74 1nf7A1 LEU 235 HA 0.03 0.22 0.84 -0.75 4.35 4.68 1nf7A1 LEU 235 HB2 0.06 0.06 -0.13 -0.04 1.64 1.58 1nf7A1 LEU 235 HB3 0.03 -0.04 0.08 -0.04 1.64 1.67 1nf7A1 LEU 235 HG 0.03 -0.07 -0.06 -0.04 1.64 1.50 1nf7A1 LEU 235 HD13 0.01 0.01 -0.03 -0.04 0.93 0.89 1nf7A1 LEU 235 HD23 0.01 0.02 -0.07 -0.04 0.89 0.81 1nf7A1 ALA 236 H 0.11 0.09 -0.25 -0.55 8.40 7.80 1nf7A1 ALA 236 HA 0.04 0.16 0.46 -0.75 4.34 4.25 1nf7A1 ALA 236 HB3 0.07 -0.01 0.05 -0.04 1.41 1.47 1nf7A1 SER 237 H -0.00 0.48 0.28 -0.55 8.46 8.67 1nf7A1 SER 237 HA 0.00 0.15 0.84 -0.75 4.49 4.73 1nf7A1 SER 237 HB2 -0.02 -0.06 0.33 -0.04 3.95 4.16 1nf7A1 SER 237 HB3 -0.01 -0.07 0.08 -0.04 3.93 3.90 1nf7A1 LYS 238 H 0.00 0.27 0.19 -0.55 8.42 8.33 1nf7A1 LYS 238 HA -0.01 0.14 0.93 -0.75 4.32 4.62 1nf7A1 LYS 238 HB2 -0.00 0.04 -0.19 -0.04 1.87 1.68 1nf7A1 LYS 238 HB3 -0.00 0.04 -0.67 -0.04 1.79 1.12 1nf7A1 LYS 238 HG2 0.01 -0.07 -0.72 -0.04 1.46 0.64 1nf7A1 LYS 238 HG3 0.01 0.11 -0.30 -0.04 1.46 1.24 1nf7A1 LYS 238 HD2 0.01 -0.02 -0.11 -0.04 1.69 1.53 1nf7A1 LYS 238 HD3 0.02 0.14 -0.19 -0.04 1.68 1.61 1nf7A1 LYS 238 HE2 0.04 -0.09 -0.15 -0.04 2.99 2.76 1nf7A1 LYS 238 HE3 0.04 0.05 -0.09 -0.04 2.99 2.95 1nf7A1 ASP 239 H -0.02 0.68 0.12 -0.55 8.40 8.63 1nf7A1 ASP 239 HA -0.01 0.18 0.76 -0.75 4.63 4.80 1nf7A1 ASP 239 HB2 -0.02 -0.13 0.21 -0.04 2.71 2.73 1nf7A1 ASP 239 HB3 -0.03 0.07 0.04 -0.04 2.70 2.74 1nf7A1 ALA 240 H -0.01 0.17 0.16 -0.55 8.40 8.17 1nf7A1 ALA 240 HA -0.01 0.12 0.43 -0.75 4.34 4.13 1nf7A1 ALA 240 HB3 -0.01 0.01 0.14 -0.04 1.41 1.51 1nf7A1 LYS 241 H -0.02 0.10 -0.08 -0.55 8.42 7.87 1nf7A1 LYS 241 HA -0.01 0.11 0.40 -0.75 4.32 4.06 1nf7A1 LYS 241 HB2 -0.02 0.02 0.08 -0.04 1.87 1.91 1nf7A1 LYS 241 HB3 -0.02 0.05 0.19 -0.04 1.79 1.96 1nf7A1 LYS 241 HG2 -0.02 -0.06 0.08 -0.04 1.46 1.42 1nf7A1 LYS 241 HG3 -0.02 0.06 0.05 -0.04 1.46 1.52 1nf7A1 LYS 241 HD2 -0.01 0.01 0.01 -0.04 1.69 1.65 1nf7A1 LYS 241 HD3 -0.01 0.03 0.02 -0.04 1.68 1.68 1nf7A1 LYS 241 HE2 -0.01 -0.26 -0.35 -0.04 2.99 2.33 1nf7A1 LYS 241 HE3 -0.01 0.01 -0.05 -0.04 2.99 2.90 1nf7A1 LYS 242 H -0.01 0.38 -1.11 -0.55 8.42 7.13 1nf7A1 LYS 242 HA -0.01 0.10 0.21 -0.75 4.32 3.87 1nf7A1 LYS 242 HB2 -0.02 0.05 -0.36 -0.04 1.87 1.50 1nf7A1 LYS 242 HB3 -0.02 -0.03 0.20 -0.04 1.79 1.90 1nf7A1 LYS 242 HG2 -0.00 0.02 0.05 -0.04 1.46 1.49 1nf7A1 LYS 242 HG3 -0.01 0.01 -0.01 -0.04 1.46 1.41 1nf7A1 LYS 242 HD2 -0.00 -0.02 0.04 -0.04 1.69 1.67 1nf7A1 LYS 242 HD3 0.00 -0.04 0.02 -0.04 1.68 1.61 1nf7A1 LYS 242 HE2 -0.01 -0.07 0.01 -0.04 2.99 2.88 1nf7A1 LYS 242 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1nf7A1 GLN 243 H -0.02 -0.11 -0.56 -0.55 8.47 7.24 1nf7A1 GLN 243 HA -0.01 0.18 0.79 -0.75 4.36 4.57 1nf7A1 GLN 243 HB2 -0.02 0.15 0.07 -0.04 2.15 2.31 1nf7A1 GLN 243 HB3 -0.02 0.16 0.19 -0.04 2.02 2.31 1nf7A1 GLN 243 HG2 -0.03 0.15 -0.09 -0.04 2.40 2.39 1nf7A1 GLN 243 HG3 -0.02 -0.30 -0.05 -0.04 2.39 1.98 1nf7A1 GLN 243 HE21 -0.03 -0.11 0.01 -0.04 6.97 6.80 1nf7A1 GLN 243 HE22 -0.02 0.91 0.28 -0.04 7.69 8.82 1nf7A1 LEU 244 H 0.02 0.17 0.15 -0.55 8.37 8.17 1nf7A1 LEU 244 HA -0.02 0.15 0.48 -0.75 4.35 4.21 1nf7A1 LEU 244 HB2 -0.03 0.03 0.04 -0.04 1.64 1.65 1nf7A1 LEU 244 HB3 -0.06 0.05 0.12 -0.04 1.64 1.71 1nf7A1 LEU 244 HG 0.07 0.06 0.09 -0.04 1.64 1.82 1nf7A1 LEU 244 HD13 -0.19 -0.02 0.04 -0.04 0.93 0.73 1nf7A1 LEU 244 HD23 -0.02 -0.03 -0.10 -0.04 0.89 0.70 1nf7A1 LEU 245 H -0.04 0.60 0.34 -0.55 8.37 8.73 1nf7A1 LEU 245 HA -0.06 0.07 0.48 -0.75 4.35 4.09 1nf7A1 LEU 245 HB2 -0.05 0.02 0.05 -0.04 1.64 1.63 1nf7A1 LEU 245 HB3 -0.07 -0.12 -0.03 -0.04 1.64 1.38 1nf7A1 LEU 245 HG -0.03 0.03 -0.51 -0.04 1.64 1.10 1nf7A1 LEU 245 HD13 -0.01 0.00 -0.12 -0.04 0.93 0.76 1nf7A1 LEU 245 HD23 -0.03 0.01 -0.17 -0.04 0.89 0.66 1nf7A1 CYS 246 H -0.11 0.16 0.19 -0.55 8.50 8.18 1nf7A1 CYS 246 HA -0.16 0.04 0.75 -0.75 4.58 4.45 1nf7A1 CYS 246 HB2 -0.09 0.16 -0.24 -0.04 2.97 2.76 1nf7A1 CYS 246 HB3 -0.10 0.04 0.04 -0.04 2.97 2.90 1nf7A1 GLY 247 H -0.41 0.45 0.33 -0.55 8.43 8.25 1nf7A1 GLY 247 HA2 -0.47 0.28 1.06 -0.51 4.01 4.38 1nf7A1 GLY 247 HA3 -1.48 -0.04 0.32 -0.51 4.01 2.30 1nf7A1 ALA 248 H -0.23 0.46 0.35 -0.55 8.40 8.42 1nf7A1 ALA 248 HA -0.02 -0.02 0.68 -0.75 4.34 4.23 1nf7A1 ALA 248 HB3 -0.07 0.06 -0.12 -0.04 1.41 1.24 1nf7A1 ALA 249 H 0.03 0.52 0.14 -0.55 8.40 8.54 1nf7A1 ALA 249 HA 0.04 0.18 1.01 -0.75 4.34 4.81 1nf7A1 ALA 249 HB3 -0.15 -0.04 0.02 -0.04 1.41 1.20 1nf7A1 ILE 250 H -0.01 0.57 0.36 -0.55 8.25 8.62 1nf7A1 ILE 250 HA 0.31 0.11 0.80 -0.75 4.18 4.65 1nf7A1 ILE 250 HB 0.12 -0.05 0.10 -0.04 1.89 2.02 1nf7A1 ILE 250 HG12 0.06 -0.03 -0.08 -0.04 1.49 1.41 1nf7A1 ILE 250 HG13 0.09 0.10 -0.25 -0.04 1.21 1.11 1nf7A1 ILE 250 HG23 0.05 0.01 -0.32 -0.04 0.93 0.63 1nf7A1 ILE 250 HD13 0.09 0.01 -0.10 -0.04 0.88 0.84 1nf7A1 GLY 251 H 0.25 0.11 0.17 -0.55 8.43 8.40 1nf7A1 GLY 251 HA2 0.20 0.14 0.62 -0.51 4.01 4.46 1nf7A1 GLY 251 HA3 0.14 -0.03 0.41 -0.51 4.01 4.02 1nf7A1 THR 252 H 0.08 0.10 0.15 -0.55 8.28 8.06 1nf7A1 THR 252 HA 0.07 0.34 0.86 -0.75 4.39 4.91 1nf7A1 THR 252 HB 0.09 0.05 -0.11 -0.04 4.32 4.31 1nf7A1 THR 252 HG23 0.08 0.01 -0.15 -0.04 1.22 1.12 1nf7A1 HIS 253 H 0.12 -0.04 -0.03 -0.55 8.41 7.92 1nf7A1 HIS 253 HA -0.10 0.13 0.51 -0.75 4.63 4.41 1nf7A1 HIS 253 HB2 -0.06 -0.02 0.11 -0.04 3.26 3.25 1nf7A1 HIS 253 HB3 -0.05 -0.02 -0.06 -0.04 3.20 3.03 1nf7A1 HIS 253 HD2 -0.08 -0.18 0.14 -0.04 6.97 6.80 1nf7A1 HIS 253 HE1 -0.11 0.06 0.02 -0.04 7.75 7.67 1nf7A1 GLU 254 H 0.19 0.16 0.16 -0.55 8.60 8.56 1nf7A1 GLU 254 HA -0.00 0.15 0.37 -0.75 4.29 4.05 1nf7A1 GLU 254 HB2 0.11 -0.01 0.20 -0.04 2.09 2.36 1nf7A1 GLU 254 HB3 0.04 0.03 0.05 -0.04 1.99 2.07 1nf7A1 GLU 254 HG2 0.00 0.03 0.09 -0.04 2.34 2.42 1nf7A1 GLU 254 HG3 0.02 0.04 0.05 -0.04 2.34 2.41 1nf7A1 ASP 255 H 0.03 0.11 -0.12 -0.55 8.40 7.86 1nf7A1 ASP 255 HA 0.03 0.08 0.35 -0.75 4.63 4.34 1nf7A1 ASP 255 HB2 -0.06 -0.00 0.04 -0.04 2.71 2.65 1nf7A1 ASP 255 HB3 0.00 0.03 0.19 -0.04 2.70 2.88 1nf7A1 ASP 256 H 0.04 0.55 -0.95 -0.55 8.40 7.49 1nf7A1 ASP 256 HA 0.07 0.09 0.81 -0.75 4.63 4.85 1nf7A1 ASP 256 HB2 0.06 0.36 -0.15 -0.04 2.71 2.94 1nf7A1 ASP 256 HB3 0.08 0.06 -0.02 -0.04 2.70 2.77 1nf7A1 LYS 257 H 0.02 0.58 0.16 -0.55 8.42 8.62 1nf7A1 LYS 257 HA 0.10 0.13 0.44 -0.75 4.32 4.24 1nf7A1 LYS 257 HB2 -0.04 -0.00 0.11 -0.04 1.87 1.90 1nf7A1 LYS 257 HB3 -0.00 0.04 0.01 -0.04 1.79 1.80 1nf7A1 LYS 257 HG2 -0.75 0.04 0.01 -0.04 1.46 0.72 1nf7A1 LYS 257 HG3 -0.24 0.03 0.08 -0.04 1.46 1.29 1nf7A1 LYS 257 HD2 -0.28 -0.03 0.02 -0.04 1.69 1.37 1nf7A1 LYS 257 HD3 -1.15 0.04 -0.01 -0.04 1.68 0.52 1nf7A1 LYS 257 HE2 -0.24 -0.06 -0.00 -0.04 2.99 2.65 1nf7A1 LYS 257 HE3 -0.34 0.00 -0.02 -0.04 2.99 2.60 1nf7A1 TYR 258 H 0.18 0.10 -0.26 -0.55 8.29 7.76 1nf7A1 TYR 258 HA 0.07 0.14 0.46 -0.75 4.56 4.48 1nf7A1 TYR 258 HB2 0.03 0.04 0.05 -0.04 3.06 3.13 1nf7A1 TYR 258 HB3 0.02 0.01 0.06 -0.04 2.98 3.03 1nf7A1 TYR 258 HD2 0.03 0.02 -0.02 -0.04 7.15 7.14 1nf7A1 TYR 258 HE2 0.01 -0.00 -0.03 -0.04 6.85 6.79 1nf7A1 ARG 259 H 0.08 0.13 -0.21 -0.55 8.46 7.91 1nf7A1 ARG 259 HA -0.26 -0.03 0.40 -0.75 4.34 3.70 1nf7A1 ARG 259 HB2 0.03 -0.01 0.20 -0.04 1.90 2.08 1nf7A1 ARG 259 HB3 0.04 0.10 0.23 -0.04 1.80 2.12 1nf7A1 ARG 259 HG2 0.01 0.08 -0.32 -0.04 1.67 1.40 1nf7A1 ARG 259 HG3 -0.01 -0.06 0.06 -0.04 1.67 1.61 1nf7A1 ARG 259 HD2 0.09 -0.10 0.12 -0.04 3.22 3.29 1nf7A1 ARG 259 HD3 0.11 0.10 0.08 -0.04 3.22 3.48 1nf7A1 LEU 260 H 0.03 0.60 -0.18 -0.55 8.37 8.27 1nf7A1 LEU 260 HA -0.02 0.00 0.30 -0.75 4.35 3.88 1nf7A1 LEU 260 HB2 0.10 0.00 0.06 -0.04 1.64 1.77 1nf7A1 LEU 260 HB3 0.17 0.13 0.08 -0.04 1.64 1.98 1nf7A1 LEU 260 HG -0.04 -0.01 -0.29 -0.04 1.64 1.27 1nf7A1 LEU 260 HD13 -0.00 -0.01 -0.07 -0.04 0.93 0.81 1nf7A1 LEU 260 HD23 0.30 0.02 -0.07 -0.04 0.89 1.09 1nf7A1 ASP 261 H 0.02 0.30 -0.45 -0.55 8.40 7.72 1nf7A1 ASP 261 HA 0.06 0.03 0.32 -0.75 4.63 4.28 1nf7A1 ASP 261 HB2 0.01 0.13 0.25 -0.04 2.71 3.06 1nf7A1 ASP 261 HB3 0.01 -0.05 -0.04 -0.04 2.70 2.59 1nf7A1 LEU 262 H -0.29 0.41 -0.05 -0.55 8.37 7.89 1nf7A1 LEU 262 HA -0.11 0.02 0.40 -0.75 4.35 3.90 1nf7A1 LEU 262 HB2 -0.20 0.09 0.05 -0.04 1.64 1.54 1nf7A1 LEU 262 HB3 -0.14 -0.02 -0.02 -0.04 1.64 1.42 1nf7A1 LEU 262 HG -0.83 0.14 0.01 -0.04 1.64 0.92 1nf7A1 LEU 262 HD13 -0.18 -0.05 -0.16 -0.04 0.93 0.49 1nf7A1 LEU 262 HD23 -0.12 -0.00 -0.03 -0.04 0.89 0.69 1nf7A1 LEU 263 H -0.12 0.45 -0.26 -0.55 8.37 7.89 1nf7A1 LEU 263 HA -0.09 -0.02 0.38 -0.75 4.35 3.87 1nf7A1 LEU 263 HB2 -0.10 0.21 0.13 -0.04 1.64 1.84 1nf7A1 LEU 263 HB3 -0.09 -0.04 -0.10 -0.04 1.64 1.36 1nf7A1 LEU 263 HG -0.06 0.07 -0.05 -0.04 1.64 1.55 1nf7A1 LEU 263 HD13 -0.03 -0.01 -0.19 -0.04 0.93 0.66 1nf7A1 LEU 263 HD23 -0.06 -0.03 -0.17 -0.04 0.89 0.59 1nf7A1 ALA 264 H -0.17 0.71 0.01 -0.55 8.40 8.40 1nf7A1 ALA 264 HA -0.25 0.03 0.33 -0.75 4.34 3.70 1nf7A1 ALA 264 HB3 -0.53 0.02 0.04 -0.04 1.41 0.90 1nf7A1 GLN 265 H -0.09 0.49 -0.29 -0.55 8.47 8.05 1nf7A1 GLN 265 HA -0.03 -0.00 0.39 -0.75 4.36 3.97 1nf7A1 GLN 265 HB2 -0.05 0.10 0.15 -0.04 2.15 2.31 1nf7A1 GLN 265 HB3 -0.02 -0.08 0.04 -0.04 2.02 1.92 1nf7A1 GLN 265 HG2 -0.03 0.57 0.14 -0.04 2.40 3.04 1nf7A1 GLN 265 HG3 -0.02 -0.15 0.01 -0.04 2.39 2.18 1nf7A1 GLN 265 HE21 0.07 -0.05 -0.04 -0.04 6.97 6.92 1nf7A1 GLN 265 HE22 0.06 0.03 -0.06 -0.04 7.69 7.69 1nf7A1 ALA 266 H -0.07 0.44 -0.06 -0.55 8.40 8.17 1nf7A1 ALA 266 HA -0.04 -0.00 0.34 -0.75 4.34 3.88 1nf7A1 ALA 266 HB3 -0.06 -0.04 0.17 -0.04 1.41 1.44 1nf7A1 GLY 267 H -0.07 0.37 -0.89 -0.55 8.43 7.29 1nf7A1 GLY 267 HA2 -0.06 0.06 0.28 -0.51 4.01 3.77 1nf7A1 GLY 267 HA3 -0.05 0.04 0.52 -0.51 4.01 4.01 1nf7A1 VAL 268 H -0.10 0.25 -0.11 -0.55 8.24 7.73 1nf7A1 VAL 268 HA -0.10 0.04 0.35 -0.75 4.13 3.65 1nf7A1 VAL 268 HB -0.11 0.05 -0.17 -0.04 2.12 1.85 1nf7A1 VAL 268 HG13 -0.13 -0.02 -0.38 -0.04 0.97 0.40 1nf7A1 VAL 268 HG23 -0.13 -0.03 -0.15 -0.04 0.95 0.61 1nf7A1 ASP 269 H -0.12 0.51 0.38 -0.55 8.40 8.61 1nf7A1 ASP 269 HA -0.07 0.21 0.81 -0.75 4.63 4.83 1nf7A1 ASP 269 HB2 -0.10 -0.09 0.12 -0.04 2.71 2.60 1nf7A1 ASP 269 HB3 -0.05 -0.05 0.05 -0.04 2.70 2.60 1nf7A1 VAL 270 H -0.15 0.28 0.24 -0.55 8.24 8.06 1nf7A1 VAL 270 HA -0.02 0.34 0.83 -0.75 4.13 4.52 1nf7A1 VAL 270 HB 0.09 0.01 -0.14 -0.04 2.12 2.03 1nf7A1 VAL 270 HG13 0.00 -0.02 -0.30 -0.04 0.97 0.61 1nf7A1 VAL 270 HG23 -0.19 -0.04 -0.19 -0.04 0.95 0.49 1nf7A1 VAL 271 H 0.05 0.57 0.26 -0.55 8.24 8.56 1nf7A1 VAL 271 HA 0.06 0.29 1.07 -0.75 4.13 4.80 1nf7A1 VAL 271 HB 0.04 -0.01 0.03 -0.04 2.12 2.13 1nf7A1 VAL 271 HG13 -0.05 0.01 -0.26 -0.04 0.97 0.63 1nf7A1 VAL 271 HG23 0.04 0.03 -0.05 -0.04 0.95 0.93 1nf7A1 VAL 272 H 0.18 0.42 0.22 -0.55 8.24 8.51 1nf7A1 VAL 272 HA 0.07 0.23 1.03 -0.75 4.13 4.71 1nf7A1 VAL 272 HB 0.01 0.01 -0.21 -0.04 2.12 1.88 1nf7A1 VAL 272 HG13 0.02 -0.02 -0.19 -0.04 0.97 0.74 1nf7A1 VAL 272 HG23 -0.10 0.02 -0.23 -0.04 0.95 0.60 1nf7A1 LEU 273 H 0.03 0.52 0.14 -0.55 8.37 8.51 1nf7A1 LEU 273 HA 0.05 0.30 0.71 -0.75 4.35 4.65 1nf7A1 LEU 273 HB2 0.04 -0.14 0.16 -0.04 1.64 1.66 1nf7A1 LEU 273 HB3 0.06 -0.07 -0.04 -0.04 1.64 1.55 1nf7A1 LEU 273 HG 0.05 0.14 -0.02 -0.04 1.64 1.76 1nf7A1 LEU 273 HD13 0.06 -0.03 -0.08 -0.04 0.93 0.84 1nf7A1 LEU 273 HD23 0.08 0.03 -0.19 -0.04 0.89 0.76 1nf7A1 ASP 274 H 0.04 0.54 0.23 -0.55 8.40 8.67 1nf7A1 ASP 274 HA -0.00 0.10 0.70 -0.75 4.63 4.68 1nf7A1 ASP 274 HB2 -0.09 0.09 0.01 -0.04 2.71 2.68 1nf7A1 ASP 274 HB3 0.15 -0.06 0.04 -0.04 2.70 2.78 1nf7A1 SER 275 H 0.02 0.35 0.22 -0.55 8.46 8.50 1nf7A1 SER 275 HA 0.05 0.11 0.61 -0.75 4.49 4.50 1nf7A1 SER 275 HB2 0.05 0.08 -0.40 -0.04 3.95 3.64 1nf7A1 SER 275 HB3 0.04 -0.04 -0.25 -0.04 3.93 3.63 1nf7A1 SER 276 H 0.03 0.16 0.10 -0.55 8.46 8.20 1nf7A1 SER 276 HA 0.01 0.11 0.63 -0.75 4.49 4.49 1nf7A1 SER 276 HB2 0.01 -0.00 0.05 -0.04 3.95 3.97 1nf7A1 SER 276 HB3 0.01 -0.02 0.09 -0.04 3.93 3.98 1nf7A1 GLN 277 H 0.02 0.08 -0.08 -0.55 8.47 7.95 1nf7A1 GLN 277 HA 0.01 0.27 0.85 -0.75 4.36 4.74 1nf7A1 GLN 277 HB2 0.02 -0.03 -0.03 -0.04 2.15 2.06 1nf7A1 GLN 277 HB3 0.02 -0.01 0.14 -0.04 2.02 2.13 1nf7A1 GLN 277 HG2 0.00 0.05 0.01 -0.04 2.40 2.42 1nf7A1 GLN 277 HG3 0.01 0.03 -0.03 -0.04 2.39 2.36 1nf7A1 GLN 277 HE21 -0.01 0.08 -0.02 -0.04 6.97 6.98 1nf7A1 GLN 277 HE22 -0.00 0.03 -0.02 -0.04 7.69 7.65 1nf7A1 GLY 278 H 0.01 0.73 -0.18 -0.55 8.43 8.44 1nf7A1 GLY 278 HA2 0.04 0.02 0.32 -0.51 4.01 3.88 1nf7A1 GLY 278 HA3 0.02 0.05 0.07 -0.51 4.01 3.63 1nf7A1 ASN 279 H 0.00 0.10 -0.53 -0.55 8.53 7.56 1nf7A1 ASN 279 HA -0.01 0.23 0.73 -0.75 4.76 4.96 1nf7A1 ASN 279 HB2 -0.02 -0.04 0.02 -0.04 2.88 2.80 1nf7A1 ASN 279 HB3 -0.02 -0.03 0.12 -0.04 2.79 2.83 1nf7A1 ASN 279 HD21 -0.04 0.06 -0.04 -0.04 7.03 6.97 1nf7A1 ASN 279 HD22 -0.03 -0.06 0.01 -0.04 7.74 7.62 1nf7A1 SER 280 H 0.01 0.32 -0.23 -0.55 8.46 8.01 1nf7A1 SER 280 HA -0.08 0.27 0.91 -0.75 4.49 4.83 1nf7A1 SER 280 HB2 -0.06 -0.03 0.10 -0.04 3.95 3.92 1nf7A1 SER 280 HB3 0.07 0.14 -0.08 -0.04 3.93 4.02 1nf7A1 ILE 281 H -0.32 0.24 0.14 -0.55 8.25 7.76 1nf7A1 ILE 281 HA -0.13 0.13 0.37 -0.75 4.18 3.80 1nf7A1 ILE 281 HB -0.23 0.06 0.13 -0.04 1.89 1.81 1nf7A1 ILE 281 HG12 -0.15 0.05 0.00 -0.04 1.49 1.35 1nf7A1 ILE 281 HG13 -0.14 -0.02 -0.10 -0.04 1.21 0.91 1nf7A1 ILE 281 HG23 -0.75 0.01 -0.01 -0.04 0.93 0.14 1nf7A1 ILE 281 HD13 -0.07 0.01 0.05 -0.04 0.88 0.83 1nf7A1 PHE 282 H -0.54 0.02 -0.32 -0.55 8.34 6.94 1nf7A1 PHE 282 HA -0.03 0.12 0.40 -0.75 4.62 4.36 1nf7A1 PHE 282 HB2 -0.04 -0.07 0.02 -0.04 3.15 3.02 1nf7A1 PHE 282 HB3 -0.06 0.13 -0.01 -0.04 3.06 3.07 1nf7A1 PHE 282 HD2 -0.05 0.02 0.01 -0.04 7.28 7.21 1nf7A1 PHE 282 HE2 -0.05 0.04 0.01 -0.04 7.38 7.34 1nf7A1 PHE 282 HZ -0.05 0.05 0.01 -0.04 7.32 7.30 1nf7A1 GLN 283 H 0.12 0.08 -0.14 -0.55 8.47 7.98 1nf7A1 GLN 283 HA 0.09 0.08 0.45 -0.75 4.36 4.22 1nf7A1 GLN 283 HB2 0.08 -0.10 0.08 -0.04 2.15 2.16 1nf7A1 GLN 283 HB3 0.04 0.10 0.16 -0.04 2.02 2.29 1nf7A1 GLN 283 HG2 0.04 0.07 -0.22 -0.04 2.40 2.25 1nf7A1 GLN 283 HG3 0.06 0.00 0.01 -0.04 2.39 2.42 1nf7A1 GLN 283 HE21 0.03 -0.14 0.11 -0.04 6.97 6.93 1nf7A1 GLN 283 HE22 0.05 -0.03 -0.02 -0.04 7.69 7.65 1nf7A1 ILE 284 H 0.01 0.42 -0.09 -0.55 8.25 8.04 1nf7A1 ILE 284 HA 0.02 0.06 0.35 -0.75 4.18 3.86 1nf7A1 ILE 284 HB -0.03 0.01 0.11 -0.04 1.89 1.94 1nf7A1 ILE 284 HG12 -0.01 0.04 -0.08 -0.04 1.49 1.40 1nf7A1 ILE 284 HG13 -0.02 0.10 -0.02 -0.04 1.21 1.23 1nf7A1 ILE 284 HG23 -0.00 0.02 -0.11 -0.04 0.93 0.79 1nf7A1 ILE 284 HD13 -0.04 -0.02 -0.13 -0.04 0.88 0.65 1nf7A1 ASN 285 H 0.02 0.51 -0.23 -0.55 8.53 8.29 1nf7A1 ASN 285 HA 0.05 0.05 0.50 -0.75 4.76 4.61 1nf7A1 ASN 285 HB2 0.06 0.08 0.21 -0.04 2.88 3.19 1nf7A1 ASN 285 HB3 0.05 -0.04 0.02 -0.04 2.79 2.78 1nf7A1 ASN 285 HD21 -0.01 -0.07 -0.03 -0.04 7.03 6.88 1nf7A1 ASN 285 HD22 0.06 -0.05 0.00 -0.04 7.74 7.71 1nf7A1 MET 286 H 0.08 0.58 0.05 -0.55 8.47 8.63 1nf7A1 MET 286 HA 0.11 -0.05 0.33 -0.75 4.52 4.16 1nf7A1 MET 286 HB2 0.07 0.02 0.17 -0.04 2.15 2.38 1nf7A1 MET 286 HB3 0.09 0.04 0.21 -0.04 2.03 2.32 1nf7A1 MET 286 HG2 0.09 -0.05 0.00 -0.04 2.63 2.63 1nf7A1 MET 286 HG3 0.11 0.04 -0.20 -0.04 2.56 2.48 1nf7A1 MET 286 HE3 0.03 0.03 -0.14 -0.04 2.10 1.98 1nf7A1 ILE 287 H 0.08 0.40 -0.68 -0.55 8.25 7.50 1nf7A1 ILE 287 HA 0.08 -0.01 0.39 -0.75 4.18 3.88 1nf7A1 ILE 287 HB 0.04 0.19 0.17 -0.04 1.89 2.25 1nf7A1 ILE 287 HG12 0.05 0.32 -0.13 -0.04 1.49 1.70 1nf7A1 ILE 287 HG13 0.03 -0.11 -0.11 -0.04 1.21 0.98 1nf7A1 ILE 287 HG23 0.04 0.01 -0.45 -0.04 0.93 0.48 1nf7A1 ILE 287 HD13 0.04 -0.04 -0.15 -0.04 0.88 0.69 1nf7A1 LYS 288 H 0.07 0.45 0.15 -0.55 8.42 8.53 1nf7A1 LYS 288 HA 0.04 0.13 0.44 -0.75 4.32 4.17 1nf7A1 LYS 288 HB2 0.07 -0.03 0.26 -0.04 1.87 2.13 1nf7A1 LYS 288 HB3 0.04 -0.07 0.07 -0.04 1.79 1.80 1nf7A1 LYS 288 HG2 0.03 0.15 0.17 -0.04 1.46 1.77 1nf7A1 LYS 288 HG3 0.03 0.18 0.26 -0.04 1.46 1.89 1nf7A1 LYS 288 HD2 0.03 -0.10 0.02 -0.04 1.69 1.59 1nf7A1 LYS 288 HD3 0.02 -0.04 0.04 -0.04 1.68 1.66 1nf7A1 LYS 288 HE2 0.01 0.09 0.02 -0.04 2.99 3.07 1nf7A1 LYS 288 HE3 0.01 -0.02 0.01 -0.04 2.99 2.96 1nf7A1 TYR 289 H 0.20 0.71 -0.13 -0.55 8.29 8.52 1nf7A1 TYR 289 HA 0.02 -0.03 0.34 -0.75 4.56 4.13 1nf7A1 TYR 289 HB2 0.04 -0.08 -0.00 -0.04 3.06 2.97 1nf7A1 TYR 289 HB3 0.05 0.09 0.02 -0.04 2.98 3.10 1nf7A1 TYR 289 HD2 0.05 0.05 -0.06 -0.04 7.15 7.15 1nf7A1 TYR 289 HE2 0.07 -0.01 -0.04 -0.04 6.85 6.83 1nf7A1 ILE 290 H 0.19 0.43 -0.27 -0.55 8.25 8.05 1nf7A1 ILE 290 HA -0.11 -0.07 0.42 -0.75 4.18 3.67 1nf7A1 ILE 290 HB 0.11 0.13 0.14 -0.04 1.89 2.23 1nf7A1 ILE 290 HG12 0.29 -0.11 -0.02 -0.04 1.49 1.61 1nf7A1 ILE 290 HG13 0.36 0.16 0.11 -0.04 1.21 1.79 1nf7A1 ILE 290 HG23 0.13 0.00 -0.21 -0.04 0.93 0.81 1nf7A1 ILE 290 HD13 0.14 -0.04 -0.07 -0.04 0.88 0.87 1nf7A1 LYS 291 H 0.04 0.63 0.01 -0.55 8.42 8.55 1nf7A1 LYS 291 HA 0.03 0.14 0.30 -0.75 4.32 4.04 1nf7A1 LYS 291 HB2 0.03 0.09 0.11 -0.04 1.87 2.05 1nf7A1 LYS 291 HB3 0.01 -0.05 0.02 -0.04 1.79 1.72 1nf7A1 LYS 291 HG2 0.02 -0.01 0.10 -0.04 1.46 1.52 1nf7A1 LYS 291 HG3 0.01 -0.04 0.08 -0.04 1.46 1.48 1nf7A1 LYS 291 HD2 0.04 -0.07 0.06 -0.04 1.69 1.67 1nf7A1 LYS 291 HD3 0.03 0.29 0.14 -0.04 1.68 2.10 1nf7A1 LYS 291 HE2 0.03 -0.21 0.13 -0.04 2.99 2.89 1nf7A1 LYS 291 HE3 0.02 -0.06 0.08 -0.04 2.99 2.99 1nf7A1 ASP 292 H -0.04 0.54 -0.26 -0.55 8.40 8.10 1nf7A1 ASP 292 HA -0.05 -0.03 0.32 -0.75 4.63 4.12 1nf7A1 ASP 292 HB2 -0.04 -0.07 0.07 -0.04 2.71 2.63 1nf7A1 ASP 292 HB3 -0.09 0.13 0.16 -0.04 2.70 2.86 1nf7A1 LYS 293 H -0.29 0.42 0.01 -0.55 8.42 8.01 1nf7A1 LYS 293 HA -0.32 -0.09 0.37 -0.75 4.32 3.53 1nf7A1 LYS 293 HB2 -0.62 -0.05 0.14 -0.04 1.87 1.30 1nf7A1 LYS 293 HB3 -0.65 0.03 0.16 -0.04 1.79 1.29 1nf7A1 LYS 293 HG2 -2.00 0.03 -0.21 -0.04 1.46 -0.76 1nf7A1 LYS 293 HG3 -0.61 -0.05 -0.00 -0.04 1.46 0.76 1nf7A1 LYS 293 HD2 -0.39 -0.04 -0.01 -0.04 1.69 1.21 1nf7A1 LYS 293 HD3 -0.39 -0.01 -0.04 -0.04 1.68 1.19 1nf7A1 LYS 293 HE2 -0.20 0.02 -0.05 -0.04 2.99 2.72 1nf7A1 LYS 293 HE3 -0.22 -0.01 -0.02 -0.04 2.99 2.70 1nf7A1 TYR 294 H -0.12 0.59 -0.12 -0.55 8.29 8.09 1nf7A1 TYR 294 HA -0.05 0.10 0.86 -0.75 4.56 4.72 1nf7A1 TYR 294 HB2 -0.05 0.04 0.06 -0.04 3.06 3.07 1nf7A1 TYR 294 HB3 -0.03 -0.01 -0.12 -0.04 2.98 2.78 1nf7A1 TYR 294 HD2 -0.06 0.05 -0.05 -0.04 7.15 7.05 1nf7A1 TYR 294 HE2 -0.03 -0.04 -0.09 -0.04 6.85 6.65 1nf7A1 PRO 295 HA 0.01 0.23 0.55 -0.51 4.44 4.73 1nf7A1 PRO 295 HB2 0.01 -0.11 0.07 -0.04 2.28 2.21 1nf7A1 PRO 295 HB3 -0.00 -0.03 0.12 -0.04 2.02 2.07 1nf7A1 PRO 295 HG2 -0.02 -0.12 0.11 -0.04 2.03 1.97 1nf7A1 PRO 295 HG3 -0.03 0.27 0.12 -0.04 2.03 2.35 1nf7A1 PRO 295 HD2 0.01 -0.13 0.23 -0.04 3.68 3.75 1nf7A1 PRO 295 HD3 -0.06 0.60 0.06 -0.04 3.65 4.21 1nf7A1 ASN 296 H 0.04 0.13 -0.10 -0.55 8.53 8.05 1nf7A1 ASN 296 HA 0.02 0.06 0.46 -0.75 4.76 4.54 1nf7A1 ASN 296 HB2 0.02 -0.04 0.11 -0.04 2.88 2.93 1nf7A1 ASN 296 HB3 0.03 0.02 0.16 -0.04 2.79 2.96 1nf7A1 ASN 296 HD21 -0.00 -0.05 0.06 -0.04 7.03 7.00 1nf7A1 ASN 296 HD22 0.01 0.03 0.12 -0.04 7.74 7.86 1nf7A1 LEU 297 H 0.03 0.68 -0.26 -0.55 8.37 8.27 1nf7A1 LEU 297 HA -0.01 0.08 0.59 -0.75 4.35 4.25 1nf7A1 LEU 297 HB2 0.00 0.05 -0.32 -0.04 1.64 1.33 1nf7A1 LEU 297 HB3 0.06 0.21 -0.16 -0.04 1.64 1.71 1nf7A1 LEU 297 HG -0.02 0.00 -0.36 -0.04 1.64 1.22 1nf7A1 LEU 297 HD13 -0.07 -0.00 -0.14 -0.04 0.93 0.68 1nf7A1 LEU 297 HD23 -0.19 -0.04 -0.15 -0.04 0.89 0.47 1nf7A1 GLN 298 H -0.00 0.36 0.22 -0.55 8.47 8.51 1nf7A1 GLN 298 HA 0.02 0.14 0.64 -0.75 4.36 4.41 1nf7A1 GLN 298 HB2 0.02 -0.02 0.12 -0.04 2.15 2.22 1nf7A1 GLN 298 HB3 0.03 -0.07 -0.01 -0.04 2.02 1.93 1nf7A1 GLN 298 HG2 0.00 0.14 0.04 -0.04 2.40 2.54 1nf7A1 GLN 298 HG3 0.02 -0.11 -0.03 -0.04 2.39 2.22 1nf7A1 GLN 298 HE21 0.01 0.07 -0.06 -0.04 6.97 6.96 1nf7A1 GLN 298 HE22 0.01 -0.02 -0.31 -0.04 7.69 7.34 1nf7A1 VAL 299 H 0.04 0.19 0.24 -0.55 8.24 8.15 1nf7A1 VAL 299 HA 0.06 0.23 1.00 -0.75 4.13 4.67 1nf7A1 VAL 299 HB 0.04 0.02 0.14 -0.04 2.12 2.27 1nf7A1 VAL 299 HG13 0.06 -0.02 -0.17 -0.04 0.97 0.80 1nf7A1 VAL 299 HG23 0.05 0.06 -0.24 -0.04 0.95 0.79 1nf7A1 ILE 300 H 0.07 0.73 0.33 -0.55 8.25 8.84 1nf7A1 ILE 300 HA 0.03 0.11 0.80 -0.75 4.18 4.36 1nf7A1 ILE 300 HB 0.04 -0.09 0.04 -0.04 1.89 1.83 1nf7A1 ILE 300 HG12 0.05 0.09 -0.26 -0.04 1.49 1.33 1nf7A1 ILE 300 HG13 0.11 -0.03 -0.31 -0.04 1.21 0.94 1nf7A1 ILE 300 HG23 -0.03 0.01 -0.37 -0.04 0.93 0.49 1nf7A1 ILE 300 HD13 0.15 -0.01 -0.29 -0.04 0.88 0.69 1nf7A1 GLY 301 H 0.01 0.66 0.26 -0.55 8.43 8.82 1nf7A1 GLY 301 HA2 0.02 -0.01 0.46 -0.51 4.01 3.97 1nf7A1 GLY 301 HA3 0.01 0.06 0.39 -0.51 4.01 3.96 1nf7A1 GLY 302 H 0.02 0.06 0.17 -0.55 8.43 8.13 1nf7A1 GLY 302 HA2 0.01 0.31 0.40 -0.51 4.01 4.21 1nf7A1 GLY 302 HA3 0.02 -0.11 0.29 -0.51 4.01 3.71 1nf7A1 ASN 303 H 0.00 0.14 0.21 -0.55 8.53 8.34 1nf7A1 ASN 303 HA -0.01 0.65 0.67 -0.75 4.76 5.32 1nf7A1 ASN 303 HB2 0.00 0.09 0.33 -0.04 2.88 3.26 1nf7A1 ASN 303 HB3 -0.01 0.12 0.11 -0.04 2.79 2.97 1nf7A1 ASN 303 HD21 -0.02 -0.18 -0.05 -0.04 7.03 6.75 1nf7A1 ASN 303 HD22 -0.01 0.48 0.11 -0.04 7.74 8.28 1nf7A1 VAL 304 H -0.01 0.49 0.33 -0.55 8.24 8.50 1nf7A1 VAL 304 HA -0.01 0.09 0.88 -0.75 4.13 4.33 1nf7A1 VAL 304 HB -0.02 -0.22 0.03 -0.04 2.12 1.87 1nf7A1 VAL 304 HG13 -0.01 0.07 -0.36 -0.04 0.97 0.63 1nf7A1 VAL 304 HG23 -0.01 0.05 -0.21 -0.04 0.95 0.74 1nf7A1 VAL 305 H -0.02 -0.05 0.18 -0.55 8.24 7.80 1nf7A1 VAL 305 HA -0.02 0.22 0.78 -0.75 4.13 4.36 1nf7A1 VAL 305 HB -0.02 0.04 0.03 -0.04 2.12 2.13 1nf7A1 VAL 305 HG13 -0.01 -0.00 -0.29 -0.04 0.97 0.63 1nf7A1 VAL 305 HG23 -0.02 0.00 -0.15 -0.04 0.95 0.75 1nf7A1 THR 306 H -0.03 -0.08 0.19 -0.55 8.28 7.80 1nf7A1 THR 306 HA -0.04 0.37 0.98 -0.75 4.39 4.94 1nf7A1 THR 306 HB -0.06 -0.00 0.14 -0.04 4.32 4.36 1nf7A1 THR 306 HG23 -0.03 0.04 -0.13 -0.04 1.22 1.07 1nf7A1 ALA 307 H -0.10 0.27 0.12 -0.55 8.40 8.14 1nf7A1 ALA 307 HA -0.19 0.15 0.45 -0.75 4.34 4.00 1nf7A1 ALA 307 HB3 -0.39 0.07 0.05 -0.04 1.41 1.10 1nf7A1 ALA 308 H -0.15 0.05 -0.14 -0.55 8.40 7.61 1nf7A1 ALA 308 HA -0.19 0.17 0.43 -0.75 4.34 4.00 1nf7A1 ALA 308 HB3 -0.09 0.02 0.04 -0.04 1.41 1.34 1nf7A1 GLN 309 H -0.08 -0.01 -0.25 -0.55 8.47 7.58 1nf7A1 GLN 309 HA -0.05 0.09 0.37 -0.75 4.36 4.02 1nf7A1 GLN 309 HB2 -0.04 -0.04 0.14 -0.04 2.15 2.17 1nf7A1 GLN 309 HB3 -0.03 0.05 -0.07 -0.04 2.02 1.93 1nf7A1 GLN 309 HG2 -0.03 0.07 0.04 -0.04 2.40 2.45 1nf7A1 GLN 309 HG3 -0.04 0.01 0.04 -0.04 2.39 2.36 1nf7A1 GLN 309 HE21 -0.01 0.10 0.08 -0.04 6.97 7.10 1nf7A1 GLN 309 HE22 -0.01 -0.05 0.01 -0.04 7.69 7.60 1nf7A1 ALA 310 H -0.07 0.32 -0.35 -0.55 8.40 7.75 1nf7A1 ALA 310 HA -0.02 0.01 0.35 -0.75 4.34 3.93 1nf7A1 ALA 310 HB3 0.03 0.06 0.04 -0.04 1.41 1.50 1nf7A1 LYS 311 H -0.11 0.43 -0.20 -0.55 8.42 7.99 1nf7A1 LYS 311 HA 0.00 0.06 0.27 -0.75 4.32 3.91 1nf7A1 LYS 311 HB2 -0.13 0.06 0.13 -0.04 1.87 1.89 1nf7A1 LYS 311 HB3 -0.06 0.05 0.08 -0.04 1.79 1.82 1nf7A1 LYS 311 HG2 -0.00 -0.01 -0.16 -0.04 1.46 1.25 1nf7A1 LYS 311 HG3 0.09 0.04 0.01 -0.04 1.46 1.55 1nf7A1 LYS 311 HD2 -0.01 -0.02 -0.02 -0.04 1.69 1.60 1nf7A1 LYS 311 HD3 -0.01 -0.03 -0.05 -0.04 1.68 1.55 1nf7A1 LYS 311 HE2 0.11 0.03 -0.03 -0.04 2.99 3.06 1nf7A1 LYS 311 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.94 1nf7A1 ASN 312 H -0.04 0.28 -0.33 -0.55 8.53 7.89 1nf7A1 ASN 312 HA -0.03 0.08 0.41 -0.75 4.76 4.47 1nf7A1 ASN 312 HB2 -0.03 0.10 0.08 -0.04 2.88 2.99 1nf7A1 ASN 312 HB3 -0.03 -0.05 -0.03 -0.04 2.79 2.64 1nf7A1 ASN 312 HD21 -0.04 -0.01 -0.04 -0.04 7.03 6.90 1nf7A1 ASN 312 HD22 -0.04 -0.05 -0.06 -0.04 7.74 7.55 1nf7A1 LEU 313 H -0.03 0.35 -0.12 -0.55 8.37 8.02 1nf7A1 LEU 313 HA -0.01 0.03 0.51 -0.75 4.35 4.13 1nf7A1 LEU 313 HB2 -0.02 0.11 0.12 -0.04 1.64 1.80 1nf7A1 LEU 313 HB3 -0.01 -0.04 0.05 -0.04 1.64 1.60 1nf7A1 LEU 313 HG -0.02 0.18 0.01 -0.04 1.64 1.77 1nf7A1 LEU 313 HD13 -0.00 -0.05 -0.13 -0.04 0.93 0.71 1nf7A1 LEU 313 HD23 -0.00 -0.00 -0.08 -0.04 0.89 0.76 1nf7A1 ILE 314 H -0.07 0.68 -0.02 -0.55 8.25 8.29 1nf7A1 ILE 314 HA -0.06 0.05 0.40 -0.75 4.18 3.81 1nf7A1 ILE 314 HB -0.28 0.04 -0.01 -0.04 1.89 1.60 1nf7A1 ILE 314 HG12 -0.12 0.03 -0.08 -0.04 1.49 1.28 1nf7A1 ILE 314 HG13 -0.10 -0.00 -0.06 -0.04 1.21 1.00 1nf7A1 ILE 314 HG23 -0.39 0.03 -0.09 -0.04 0.93 0.44 1nf7A1 ILE 314 HD13 -0.37 -0.01 -0.16 -0.04 0.88 0.30 1nf7A1 ASP 315 H -0.05 0.27 -0.47 -0.55 8.40 7.60 1nf7A1 ASP 315 HA -0.01 0.12 0.55 -0.75 4.63 4.54 1nf7A1 ASP 315 HB2 -0.02 0.04 0.14 -0.04 2.71 2.83 1nf7A1 ASP 315 HB3 0.00 -0.06 0.01 -0.04 2.70 2.61 1nf7A1 ALA 316 H -0.01 0.41 0.01 -0.55 8.40 8.26 1nf7A1 ALA 316 HA 0.01 -0.04 0.43 -0.75 4.34 3.99 1nf7A1 ALA 316 HB3 0.01 -0.01 0.16 -0.04 1.41 1.53 1nf7A1 GLY 317 H -0.00 0.17 -0.60 -0.55 8.43 7.45 1nf7A1 GLY 317 HA2 0.01 0.13 0.18 -0.51 4.01 3.81 1nf7A1 GLY 317 HA3 0.02 0.14 0.82 -0.51 4.01 4.47 1nf7A1 VAL 318 H -0.00 0.25 0.16 -0.55 8.24 8.10 1nf7A1 VAL 318 HA 0.02 0.13 0.64 -0.75 4.13 4.17 1nf7A1 VAL 318 HB 0.01 -0.05 0.23 -0.04 2.12 2.27 1nf7A1 VAL 318 HG13 0.01 -0.01 -0.04 -0.04 0.97 0.90 1nf7A1 VAL 318 HG23 -0.01 0.05 -0.30 -0.04 0.95 0.64 1nf7A1 ASP 319 H 0.03 0.74 0.45 -0.55 8.40 9.07 1nf7A1 ASP 319 HA 0.02 0.26 0.91 -0.75 4.63 5.07 1nf7A1 ASP 319 HB2 0.03 -0.03 0.09 -0.04 2.71 2.77 1nf7A1 ASP 319 HB3 0.03 -0.24 0.27 -0.04 2.70 2.71 1nf7A1 ALA 320 H 0.01 0.20 0.15 -0.55 8.40 8.22 1nf7A1 ALA 320 HA 0.01 0.23 0.33 -0.75 4.34 4.16 1nf7A1 ALA 320 HB3 0.02 0.02 -0.05 -0.04 1.41 1.36 1nf7A1 LEU 321 H 0.00 0.65 0.26 -0.55 8.37 8.74 1nf7A1 LEU 321 HA -0.00 0.13 0.99 -0.75 4.35 4.71 1nf7A1 LEU 321 HB2 0.01 0.08 0.02 -0.04 1.64 1.70 1nf7A1 LEU 321 HB3 -0.00 -0.06 -0.12 -0.04 1.64 1.42 1nf7A1 LEU 321 HG -0.01 0.04 -0.42 -0.04 1.64 1.21 1nf7A1 LEU 321 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.79 1nf7A1 LEU 321 HD23 -0.01 -0.01 -0.01 -0.04 0.89 0.82 1nf7A1 ARG 322 H -0.02 0.66 0.09 -0.55 8.46 8.64 1nf7A1 ARG 322 HA -0.03 0.15 1.00 -0.75 4.34 4.70 1nf7A1 ARG 322 HB2 -0.07 -0.01 -0.06 -0.04 1.90 1.72 1nf7A1 ARG 322 HB3 -0.04 -0.01 0.06 -0.04 1.80 1.77 1nf7A1 ARG 322 HG2 -0.04 -0.06 -0.15 -0.04 1.67 1.38 1nf7A1 ARG 322 HG3 -0.06 0.14 0.01 -0.04 1.67 1.71 1nf7A1 ARG 322 HD2 -0.14 -0.05 -0.14 -0.04 3.22 2.85 1nf7A1 ARG 322 HD3 -0.16 0.04 -0.14 -0.04 3.22 2.91 1nf7A1 VAL 323 H -0.01 0.35 0.13 -0.55 8.24 8.17 1nf7A1 VAL 323 HA -0.01 0.22 0.86 -0.75 4.13 4.45 1nf7A1 VAL 323 HB 0.00 -0.03 -0.02 -0.04 2.12 2.03 1nf7A1 VAL 323 HG13 -0.01 0.04 -0.28 -0.04 0.97 0.68 1nf7A1 VAL 323 HG23 -0.00 0.01 -0.23 -0.04 0.95 0.69 1nf7A1 GLY 324 H -0.01 0.36 0.11 -0.55 8.43 8.35 1nf7A1 GLY 324 HA2 -0.01 -0.09 0.37 -0.51 4.01 3.77 1nf7A1 GLY 324 HA3 -0.00 0.44 0.83 -0.51 4.01 4.77 1nf7A1 MET 325 H -0.01 0.25 0.04 -0.55 8.47 8.20 1nf7A1 MET 325 HA -0.00 0.15 0.92 -0.75 4.52 4.83 1nf7A1 MET 325 HB2 -0.00 0.18 -0.15 -0.04 2.15 2.13 1nf7A1 MET 325 HB3 -0.01 -0.07 0.07 -0.04 2.03 1.98 1nf7A1 MET 325 HG2 -0.00 -0.02 -0.17 -0.04 2.63 2.39 1nf7A1 MET 325 HG3 -0.00 0.00 -0.02 -0.04 2.56 2.50 1nf7A1 MET 325 HE3 0.00 0.01 -0.22 -0.04 2.10 1.85 1nf7A1 GLY 326 H 0.00 0.11 0.11 -0.55 8.43 8.11 1nf7A1 GLY 326 HA2 0.00 -0.08 0.31 -0.51 4.01 3.73 1nf7A1 GLY 326 HA3 -0.00 0.14 0.57 -0.51 4.01 4.21 1nf7A1 SER 327 H 0.01 -0.10 0.05 -0.55 8.46 7.87 1nf7A1 SER 327 HA 0.00 0.32 0.86 -0.75 4.49 4.91 1nf7A1 SER 327 HB2 0.02 -0.05 -0.19 -0.04 3.95 3.69 1nf7A1 SER 327 HB3 -0.00 -0.01 -0.23 -0.04 3.93 3.65 1nf7A1 GLY 328 H 0.03 -0.10 0.11 -0.55 8.43 7.92 1nf7A1 GLY 328 HA2 0.07 -0.08 0.44 -0.51 4.01 3.93 1nf7A1 GLY 328 HA3 0.05 -0.01 0.34 -0.51 4.01 3.88 1nf7A1 SER 329 H 0.11 0.01 0.19 -0.55 8.46 8.22 1nf7A1 SER 329 HA 0.07 0.22 0.38 -0.75 4.49 4.41 1nf7A1 SER 329 HB2 0.13 0.14 -0.01 -0.04 3.95 4.17 1nf7A1 SER 329 HB3 0.11 0.02 0.12 -0.04 3.93 4.13 1nf7A1 ILE 330 H 0.09 -0.12 -0.24 -0.55 8.25 7.42 1nf7A1 ILE 330 HA -0.01 0.32 0.67 -0.75 4.18 4.40 1nf7A1 ILE 330 HB -0.16 -0.10 0.12 -0.04 1.89 1.71 1nf7A1 ILE 330 HG12 -0.43 0.07 -0.36 -0.04 1.49 0.72 1nf7A1 ILE 330 HG13 0.03 -0.09 -0.08 -0.04 1.21 1.04 1nf7A1 ILE 330 HG23 -0.25 0.02 -0.21 -0.04 0.93 0.45 1nf7A1 ILE 330 HD13 -0.01 -0.06 -0.16 -0.04 0.88 0.61 1nf7A1 CYS 331 H 0.02 0.06 -0.42 -0.55 8.50 7.61 1nf7A1 CYS 331 HA -0.01 0.09 0.71 -0.75 4.58 4.61 1nf7A1 CYS 331 HB2 0.01 -0.08 0.09 -0.04 2.97 2.95 1nf7A1 CYS 331 HB3 0.01 0.03 0.08 -0.04 2.97 3.05 1nf7A1 ILE 332 H -0.01 0.72 0.25 -0.55 8.25 8.67 1nf7A1 ILE 332 HA 0.00 0.21 0.71 -0.75 4.18 4.35 1nf7A1 ILE 332 HB -0.01 0.03 -0.33 -0.04 1.89 1.55 1nf7A1 ILE 332 HG12 -0.00 0.02 -0.01 -0.04 1.49 1.45 1nf7A1 ILE 332 HG13 0.00 -0.06 0.04 -0.04 1.21 1.16 1nf7A1 ILE 332 HG23 -0.01 0.01 -0.41 -0.04 0.93 0.48 1nf7A1 ILE 332 HD13 0.00 0.02 -0.08 -0.04 0.88 0.78 1nf7A1 THR 333 H -0.00 0.02 -0.03 -0.55 8.28 7.72 1nf7A1 THR 333 HA -0.00 0.15 0.39 -0.75 4.39 4.17 1nf7A1 THR 333 HB 0.00 -0.09 0.12 -0.04 4.32 4.31 1nf7A1 THR 333 HG23 0.00 0.04 -0.11 -0.04 1.22 1.11 1nf7A1 GLN 334 H 0.00 0.09 -0.07 -0.55 8.47 7.94 1nf7A1 GLN 334 HA -0.00 0.06 0.31 -0.75 4.36 3.98 1nf7A1 GLN 334 HB2 0.00 -0.00 0.02 -0.04 2.15 2.12 1nf7A1 GLN 334 HB3 -0.00 0.07 -0.10 -0.04 2.02 1.95 1nf7A1 GLN 334 HG2 -0.00 0.02 -0.16 -0.04 2.40 2.21 1nf7A1 GLN 334 HG3 -0.00 -0.03 0.04 -0.04 2.39 2.36 1nf7A1 GLN 334 HE21 -0.01 0.01 -0.07 -0.04 6.97 6.86 1nf7A1 GLN 334 HE22 -0.01 -0.24 0.04 -0.04 7.69 7.44 1nf7A1 GLU 335 H 0.00 0.08 -0.54 -0.55 8.60 7.60 1nf7A1 GLU 335 HA 0.00 0.13 0.46 -0.75 4.29 4.12 1nf7A1 GLU 335 HB2 0.00 0.09 0.03 -0.04 2.09 2.16 1nf7A1 GLU 335 HB3 0.00 0.02 -0.00 -0.04 1.99 1.97 1nf7A1 GLU 335 HG2 0.00 0.03 -0.06 -0.04 2.34 2.27 1nf7A1 GLU 335 HG3 0.00 -0.08 -0.06 -0.04 2.34 2.16 1nf7A1 VAL 336 H -0.00 0.27 -0.15 -0.55 8.24 7.81 1nf7A1 VAL 336 HA -0.00 0.25 1.00 -0.75 4.13 4.63 1nf7A1 VAL 336 HB -0.00 -0.02 0.18 -0.04 2.12 2.23 1nf7A1 VAL 336 HG13 -0.00 -0.01 -0.09 -0.04 0.97 0.82 1nf7A1 VAL 336 HG23 -0.00 0.12 0.04 -0.04 0.95 1.06 1nf7A1 LEU 337 H -0.00 0.21 -0.28 -0.55 8.37 7.76 1nf7A1 LEU 337 HA 0.00 0.21 0.89 -0.75 4.35 4.69 1nf7A1 LEU 337 HB2 0.00 0.10 0.13 -0.04 1.64 1.83 1nf7A1 LEU 337 HB3 0.00 -0.14 0.15 -0.04 1.64 1.62 1nf7A1 LEU 337 HG 0.00 0.00 -0.23 -0.04 1.64 1.37 1nf7A1 LEU 337 HD13 0.00 -0.04 -0.02 -0.04 0.93 0.84 1nf7A1 LEU 337 HD23 0.00 0.07 0.08 -0.04 0.89 1.00 1nf7A1 ALA 338 H -0.00 -0.17 0.23 -0.55 8.40 7.90 1nf7A1 ALA 338 HA -0.00 0.11 0.32 -0.75 4.34 4.02 1nf7A1 ALA 338 HB3 -0.00 0.09 0.09 -0.04 1.41 1.55 1nf7A1 CYS 339 H -0.00 -0.13 0.20 -0.55 8.50 8.01 1nf7A1 CYS 339 HA -0.00 0.27 0.97 -0.75 4.58 5.06 1nf7A1 CYS 339 HB2 -0.00 -0.06 0.04 -0.04 2.97 2.91 1nf7A1 CYS 339 HB3 -0.00 0.00 0.03 -0.04 2.97 2.96 1nf7A1 GLY 340 H -0.01 0.35 0.21 -0.55 8.43 8.44 1nf7A1 GLY 340 HA2 -0.01 -0.03 0.26 -0.51 4.01 3.73 1nf7A1 GLY 340 HA3 -0.01 0.13 0.58 -0.51 4.01 4.21 1nf7A1 ARG 341 H -0.01 0.41 0.18 -0.55 8.46 8.48 1nf7A1 ARG 341 HA -0.01 0.17 0.47 -0.75 4.34 4.21 1nf7A1 ARG 341 HB2 -0.01 0.12 -0.22 -0.04 1.90 1.74 1nf7A1 ARG 341 HB3 -0.02 -0.11 -0.11 -0.04 1.80 1.52 1nf7A1 ARG 341 HG2 -0.01 0.04 -0.12 -0.04 1.67 1.54 1nf7A1 ARG 341 HG3 -0.01 0.04 0.09 -0.04 1.67 1.75 1nf7A1 ARG 341 HD2 -0.01 -0.06 -0.07 -0.04 3.22 3.04 1nf7A1 ARG 341 HD3 -0.01 0.05 -0.02 -0.04 3.22 3.20 1nf7A1 PRO 342 HA -0.05 0.02 0.42 -0.51 4.44 4.32 1nf7A1 PRO 342 HB2 -0.01 -0.08 -0.07 -0.04 2.28 2.07 1nf7A1 PRO 342 HB3 -0.02 0.03 -0.31 -0.04 2.02 1.68 1nf7A1 PRO 342 HG2 -0.00 0.12 0.04 -0.04 2.03 2.14 1nf7A1 PRO 342 HG3 -0.01 0.09 -0.00 -0.04 2.03 2.07 1nf7A1 PRO 342 HD2 -0.01 0.10 0.16 -0.04 3.68 3.89 1nf7A1 PRO 342 HD3 -0.01 0.19 0.09 -0.04 3.65 3.88 1nf7A1 GLN 343 H -0.11 0.15 0.17 -0.55 8.47 8.13 1nf7A1 GLN 343 HA -0.09 0.07 0.28 -0.75 4.36 3.86 1nf7A1 GLN 343 HB2 -0.14 0.00 0.11 -0.04 2.15 2.09 1nf7A1 GLN 343 HB3 -0.46 -0.16 0.16 -0.04 2.02 1.51 1nf7A1 GLN 343 HG2 -0.03 0.17 0.01 -0.04 2.40 2.51 1nf7A1 GLN 343 HG3 -0.16 -0.01 -0.24 -0.04 2.39 1.94 1nf7A1 GLN 343 HE21 0.02 0.30 0.09 -0.04 6.97 7.34 1nf7A1 GLN 343 HE22 0.08 -0.04 -0.25 -0.04 7.69 7.44 1nf7A1 ALA 344 H -0.42 -0.03 0.01 -0.55 8.40 7.41 1nf7A1 ALA 344 HA -0.22 0.06 0.32 -0.75 4.34 3.74 1nf7A1 ALA 344 HB3 -0.04 0.10 -0.07 -0.04 1.41 1.36 1nf7A1 THR 345 H -0.05 0.24 -0.21 -0.55 8.28 7.71 1nf7A1 THR 345 HA -0.01 0.09 0.48 -0.75 4.39 4.20 1nf7A1 THR 345 HB 0.02 0.08 0.12 -0.04 4.32 4.49 1nf7A1 THR 345 HG23 0.08 0.04 0.04 -0.04 1.22 1.33 1nf7A1 ALA 346 H -0.04 0.49 -0.10 -0.55 8.40 8.20 1nf7A1 ALA 346 HA -0.01 0.09 0.42 -0.75 4.34 4.09 1nf7A1 ALA 346 HB3 -0.03 -0.02 -0.01 -0.04 1.41 1.32 1nf7A1 VAL 347 H -0.05 0.69 -0.10 -0.55 8.24 8.24 1nf7A1 VAL 347 HA -0.00 -0.04 0.28 -0.75 4.13 3.62 1nf7A1 VAL 347 HB 0.00 0.09 0.06 -0.04 2.12 2.23 1nf7A1 VAL 347 HG13 0.04 0.02 -0.22 -0.04 0.97 0.77 1nf7A1 VAL 347 HG23 0.06 -0.01 -0.06 -0.04 0.95 0.90 1nf7A1 TYR 348 H -0.05 0.45 -0.17 -0.55 8.29 7.97 1nf7A1 TYR 348 HA -0.14 0.35 0.46 -0.75 4.56 4.48 1nf7A1 TYR 348 HB2 -0.62 -0.01 0.13 -0.04 3.06 2.51 1nf7A1 TYR 348 HB3 -0.30 0.03 0.20 -0.04 2.98 2.88 1nf7A1 TYR 348 HD2 -0.14 0.13 -0.03 -0.04 7.15 7.07 1nf7A1 TYR 348 HE2 -0.04 0.01 -0.12 -0.04 6.85 6.65 1nf7A1 LYS 349 H 0.04 0.74 0.00 -0.55 8.42 8.64 1nf7A1 LYS 349 HA -0.16 0.04 0.42 -0.75 4.32 3.87 1nf7A1 LYS 349 HB2 0.01 0.09 0.18 -0.04 1.87 2.11 1nf7A1 LYS 349 HB3 -0.01 -0.18 0.01 -0.04 1.79 1.57 1nf7A1 LYS 349 HG2 0.19 0.13 0.14 -0.04 1.46 1.88 1nf7A1 LYS 349 HG3 0.06 -0.10 0.03 -0.04 1.46 1.42 1nf7A1 LYS 349 HD2 0.09 -0.01 0.04 -0.04 1.69 1.77 1nf7A1 LYS 349 HD3 0.15 0.08 0.08 -0.04 1.68 1.94 1nf7A1 LYS 349 HE2 0.03 -0.03 0.02 -0.04 2.99 2.96 1nf7A1 LYS 349 HE3 0.00 -0.11 0.03 -0.04 2.99 2.87 1nf7A1 VAL 350 H -0.03 0.72 -0.13 -0.55 8.24 8.25 1nf7A1 VAL 350 HA 0.02 -0.06 0.29 -0.75 4.13 3.63 1nf7A1 VAL 350 HB -0.00 0.11 -0.09 -0.04 2.12 2.10 1nf7A1 VAL 350 HG13 0.02 -0.02 -0.19 -0.04 0.97 0.74 1nf7A1 VAL 350 HG23 -0.02 0.03 -0.36 -0.04 0.95 0.56 1nf7A1 SER 351 H -0.05 0.52 -0.33 -0.55 8.46 8.05 1nf7A1 SER 351 HA 0.03 0.02 0.50 -0.75 4.49 4.28 1nf7A1 SER 351 HB2 -0.03 0.23 0.13 -0.04 3.95 4.24 1nf7A1 SER 351 HB3 0.07 0.07 -0.03 -0.04 3.93 4.01 1nf7A1 GLU 352 H -0.14 0.54 -0.06 -0.55 8.60 8.39 1nf7A1 GLU 352 HA 0.06 0.06 0.40 -0.75 4.29 4.05 1nf7A1 GLU 352 HB2 -0.44 0.17 0.15 -0.04 2.09 1.93 1nf7A1 GLU 352 HB3 -0.12 0.00 0.04 -0.04 1.99 1.88 1nf7A1 GLU 352 HG2 0.21 0.02 0.07 -0.04 2.34 2.60 1nf7A1 GLU 352 HG3 0.00 -0.05 0.01 -0.04 2.34 2.26 1nf7A1 TYR 353 H 0.11 0.16 -0.62 -0.55 8.29 7.39 1nf7A1 TYR 353 HA 0.06 0.14 0.66 -0.75 4.56 4.65 1nf7A1 TYR 353 HB2 -0.00 -0.01 0.05 -0.04 3.06 3.05 1nf7A1 TYR 353 HB3 -0.02 0.05 0.12 -0.04 2.98 3.09 1nf7A1 TYR 353 HD2 -0.01 0.00 -0.06 -0.04 7.15 7.04 1nf7A1 TYR 353 HE2 -0.08 -0.03 -0.10 -0.04 6.85 6.60 1nf7A1 ALA 354 H 0.12 0.60 0.08 -0.55 8.40 8.65 1nf7A1 ALA 354 HA -0.07 -0.02 0.29 -0.75 4.34 3.78 1nf7A1 ALA 354 HB3 0.03 0.03 0.08 -0.04 1.41 1.51 1nf7A1 ARG 355 H 0.01 0.66 -0.30 -0.55 8.46 8.27 1nf7A1 ARG 355 HA -0.01 -0.03 0.37 -0.75 4.34 3.92 1nf7A1 ARG 355 HB2 -0.11 -0.06 0.00 -0.04 1.90 1.69 1nf7A1 ARG 355 HB3 -0.02 0.10 0.07 -0.04 1.80 1.91 1nf7A1 ARG 355 HG2 -0.06 0.09 -0.01 -0.04 1.67 1.65 1nf7A1 ARG 355 HG3 -0.13 -0.01 -0.16 -0.04 1.67 1.33 1nf7A1 ARG 355 HD2 -0.46 -0.06 -0.07 -0.04 3.22 2.58 1nf7A1 ARG 355 HD3 -0.53 -0.03 -0.05 -0.04 3.22 2.58 1nf7A1 ARG 356 H -0.06 0.38 -0.42 -0.55 8.46 7.81 1nf7A1 ARG 356 HA -0.19 0.01 0.38 -0.75 4.34 3.78 1nf7A1 ARG 356 HB2 -0.16 0.26 0.11 -0.04 1.90 2.08 1nf7A1 ARG 356 HB3 -0.40 -0.09 0.16 -0.04 1.80 1.43 1nf7A1 ARG 356 HG2 -0.13 -0.08 0.08 -0.04 1.67 1.49 1nf7A1 ARG 356 HG3 -0.11 0.08 0.10 -0.04 1.67 1.70 1nf7A1 ARG 356 HD2 0.00 -0.06 0.07 -0.04 3.22 3.19 1nf7A1 ARG 356 HD3 0.03 0.02 0.21 -0.04 3.22 3.44 1nf7A1 PHE 357 H 0.08 0.17 -0.95 -0.55 8.34 7.08 1nf7A1 PHE 357 HA -0.10 0.12 0.70 -0.75 4.62 4.59 1nf7A1 PHE 357 HB2 -0.13 0.06 -0.04 -0.04 3.15 3.00 1nf7A1 PHE 357 HB3 -0.08 -0.01 0.07 -0.04 3.06 3.00 1nf7A1 PHE 357 HD2 -0.26 0.09 -0.18 -0.04 7.28 6.89 1nf7A1 PHE 357 HE2 -0.54 -0.04 -0.08 -0.04 7.38 6.67 1nf7A1 PHE 357 HZ -0.08 -0.08 -0.06 -0.04 7.32 7.06 1nf7A1 GLY 358 H 0.01 0.38 0.09 -0.55 8.43 8.36 1nf7A1 GLY 358 HA2 0.00 -0.00 0.31 -0.51 4.01 3.80 1nf7A1 GLY 358 HA3 0.01 0.05 0.46 -0.51 4.01 4.02 1nf7A1 VAL 359 H 0.04 0.37 -0.18 -0.55 8.24 7.92 1nf7A1 VAL 359 HA 0.02 0.24 0.69 -0.75 4.13 4.33 1nf7A1 VAL 359 HB 0.00 -0.10 0.02 -0.04 2.12 2.00 1nf7A1 VAL 359 HG13 -0.00 -0.01 -0.35 -0.04 0.97 0.57 1nf7A1 VAL 359 HG23 0.02 0.01 -0.24 -0.04 0.95 0.70 1nf7A1 PRO 360 HA 0.02 0.03 0.34 -0.51 4.44 4.32 1nf7A1 PRO 360 HB2 0.02 0.06 -0.27 -0.04 2.28 2.05 1nf7A1 PRO 360 HB3 0.02 0.12 -0.15 -0.04 2.02 1.98 1nf7A1 PRO 360 HG2 0.02 0.01 -0.47 -0.04 2.03 1.54 1nf7A1 PRO 360 HG3 0.02 0.03 -0.21 -0.04 2.03 1.83 1nf7A1 PRO 360 HD2 0.02 0.26 0.14 -0.04 3.68 4.07 1nf7A1 PRO 360 HD3 0.02 0.46 -0.02 -0.04 3.65 4.07 1nf7A1 VAL 361 H 0.03 0.13 0.25 -0.55 8.24 8.10 1nf7A1 VAL 361 HA 0.01 0.20 1.07 -0.75 4.13 4.66 1nf7A1 VAL 361 HB 0.03 0.01 0.12 -0.04 2.12 2.24 1nf7A1 VAL 361 HG13 0.01 -0.02 -0.21 -0.04 0.97 0.71 1nf7A1 VAL 361 HG23 0.02 0.02 -0.19 -0.04 0.95 0.76 1nf7A1 ILE 362 H -0.01 0.75 0.35 -0.55 8.25 8.79 1nf7A1 ILE 362 HA 0.00 0.33 0.94 -0.75 4.18 4.70 1nf7A1 ILE 362 HB -0.05 -0.08 0.10 -0.04 1.89 1.82 1nf7A1 ILE 362 HG12 -0.01 0.06 -0.25 -0.04 1.49 1.25 1nf7A1 ILE 362 HG13 -0.01 0.02 -0.32 -0.04 1.21 0.86 1nf7A1 ILE 362 HG23 -0.06 -0.03 -0.42 -0.04 0.93 0.38 1nf7A1 ILE 362 HD13 -0.08 0.00 -0.24 -0.04 0.88 0.53 1nf7A1 ALA 363 H 0.02 0.60 0.23 -0.55 8.40 8.71 1nf7A1 ALA 363 HA 0.04 0.12 0.56 -0.75 4.34 4.30 1nf7A1 ALA 363 HB3 0.08 -0.00 0.11 -0.04 1.41 1.56 1nf7A1 ASP 364 H 0.01 0.74 0.42 -0.55 8.40 9.02 1nf7A1 ASP 364 HA 0.02 0.10 0.96 -0.75 4.63 4.95 1nf7A1 ASP 364 HB2 -0.04 0.01 -0.13 -0.04 2.71 2.51 1nf7A1 ASP 364 HB3 -0.02 0.13 0.02 -0.04 2.70 2.79 1nf7A1 GLY 365 H 0.05 0.25 0.09 -0.55 8.43 8.27 1nf7A1 GLY 365 HA2 0.06 -0.17 0.31 -0.51 4.01 3.70 1nf7A1 GLY 365 HA3 0.04 0.07 0.62 -0.51 4.01 4.22 1nf7A1 GLY 366 H 0.08 0.07 -0.10 -0.55 8.43 7.93 1nf7A1 GLY 366 HA2 0.07 0.16 0.30 -0.51 4.01 4.04 1nf7A1 GLY 366 HA3 0.10 0.18 0.64 -0.51 4.01 4.41 1nf7A1 ILE 367 H 0.12 0.06 -0.33 -0.55 8.25 7.56 1nf7A1 ILE 367 HA 0.15 0.10 0.48 -0.75 4.18 4.16 1nf7A1 ILE 367 HB 0.07 -0.09 0.10 -0.04 1.89 1.93 1nf7A1 ILE 367 HG12 0.10 0.00 -0.16 -0.04 1.49 1.39 1nf7A1 ILE 367 HG13 0.03 0.09 -0.13 -0.04 1.21 1.17 1nf7A1 ILE 367 HG23 0.04 0.00 -0.24 -0.04 0.93 0.69 1nf7A1 ILE 367 HD13 -0.08 -0.02 -0.35 -0.04 0.88 0.39 1nf7A1 GLN 368 H 0.55 0.28 0.22 -0.55 8.47 8.97 1nf7A1 GLN 368 HA 0.12 0.09 0.71 -0.75 4.36 4.54 1nf7A1 GLN 368 HB2 0.28 0.03 0.00 -0.04 2.15 2.42 1nf7A1 GLN 368 HB3 0.13 0.03 0.13 -0.04 2.02 2.27 1nf7A1 GLN 368 HG2 0.13 -0.06 -0.11 -0.04 2.40 2.32 1nf7A1 GLN 368 HG3 0.21 0.21 -0.09 -0.04 2.39 2.68 1nf7A1 GLN 368 HE21 0.09 0.04 0.01 -0.04 6.97 7.07 1nf7A1 GLN 368 HE22 0.09 -0.03 -0.01 -0.04 7.69 7.70 1nf7A1 ASN 369 H 0.08 0.14 -0.12 -0.55 8.53 8.08 1nf7A1 ASN 369 HA 0.03 0.12 0.33 -0.75 4.76 4.49 1nf7A1 ASN 369 HB2 -0.08 -0.03 0.09 -0.04 2.88 2.81 1nf7A1 ASN 369 HB3 -0.04 0.30 0.11 -0.04 2.79 3.12 1nf7A1 ASN 369 HD21 -0.66 0.05 -0.12 -0.04 7.03 6.26 1nf7A1 ASN 369 HD22 -0.12 0.17 -0.25 -0.04 7.74 7.51 1nf7A1 VAL 370 H -0.03 0.24 0.10 -0.55 8.24 8.00 1nf7A1 VAL 370 HA -0.12 0.08 0.31 -0.75 4.13 3.64 1nf7A1 VAL 370 HB -0.13 0.02 0.08 -0.04 2.12 2.04 1nf7A1 VAL 370 HG13 -0.26 0.03 -0.00 -0.04 0.97 0.69 1nf7A1 VAL 370 HG23 -0.22 0.02 0.06 -0.04 0.95 0.77 1nf7A1 GLY 371 H -0.14 0.10 -0.27 -0.55 8.43 7.57 1nf7A1 GLY 371 HA2 -0.10 0.12 0.28 -0.51 4.01 3.80 1nf7A1 GLY 371 HA3 -0.16 0.11 0.22 -0.51 4.01 3.67 1nf7A1 HIS 372 H -0.24 0.20 -0.22 -0.55 8.41 7.60 1nf7A1 HIS 372 HA -0.40 0.09 0.36 -0.75 4.63 3.93 1nf7A1 HIS 372 HB2 -0.14 -0.02 0.10 -0.04 3.26 3.17 1nf7A1 HIS 372 HB3 -0.50 0.01 0.05 -0.04 3.20 2.72 1nf7A1 HIS 372 HD2 0.06 -0.65 0.21 -0.04 6.97 6.54 1nf7A1 HIS 372 HE1 0.03 0.10 -0.17 -0.04 7.75 7.67 1nf7A1 ILE 373 H -0.08 0.53 -0.37 -0.55 8.25 7.77 1nf7A1 ILE 373 HA -0.09 0.03 0.44 -0.75 4.18 3.81 1nf7A1 ILE 373 HB -0.08 0.17 0.15 -0.04 1.89 2.08 1nf7A1 ILE 373 HG12 -0.03 -0.05 -0.11 -0.04 1.49 1.26 1nf7A1 ILE 373 HG13 -0.05 0.01 -0.06 -0.04 1.21 1.07 1nf7A1 ILE 373 HG23 -0.04 0.01 -0.21 -0.04 0.93 0.64 1nf7A1 ILE 373 HD13 -0.06 -0.01 -0.09 -0.04 0.88 0.68 1nf7A1 ALA 374 H -0.07 0.29 -0.02 -0.55 8.40 8.05 1nf7A1 ALA 374 HA -0.01 0.07 0.33 -0.75 4.34 3.98 1nf7A1 ALA 374 HB3 -0.02 0.04 0.03 -0.04 1.41 1.42 1nf7A1 LYS 375 H -0.07 0.27 -0.42 -0.55 8.42 7.64 1nf7A1 LYS 375 HA 0.16 0.10 0.27 -0.75 4.32 4.11 1nf7A1 LYS 375 HB2 -0.34 0.03 0.07 -0.04 1.87 1.59 1nf7A1 LYS 375 HB3 0.20 -0.03 -0.09 -0.04 1.79 1.84 1nf7A1 LYS 375 HG2 -0.02 0.07 -0.04 -0.04 1.46 1.43 1nf7A1 LYS 375 HG3 -0.04 -0.15 -0.16 -0.04 1.46 1.07 1nf7A1 LYS 375 HD2 -0.47 -0.03 -0.08 -0.04 1.69 1.06 1nf7A1 LYS 375 HD3 0.04 0.02 -0.15 -0.04 1.68 1.56 1nf7A1 LYS 375 HE2 -0.32 0.22 -0.01 -0.04 2.99 2.83 1nf7A1 LYS 375 HE3 -0.08 -0.06 -0.08 -0.04 2.99 2.73 1nf7A1 ALA 376 H -0.21 0.46 -0.16 -0.55 8.40 7.95 1nf7A1 ALA 376 HA 0.20 -0.03 0.30 -0.75 4.34 4.06 1nf7A1 ALA 376 HB3 0.01 0.00 0.07 -0.04 1.41 1.46 1nf7A1 LEU 377 H 0.01 0.52 -0.27 -0.55 8.37 8.07 1nf7A1 LEU 377 HA 0.04 0.14 0.36 -0.75 4.35 4.13 1nf7A1 LEU 377 HB2 0.02 0.03 0.04 -0.04 1.64 1.68 1nf7A1 LEU 377 HB3 0.02 0.04 -0.05 -0.04 1.64 1.62 1nf7A1 LEU 377 HG -0.00 0.06 -0.11 -0.04 1.64 1.54 1nf7A1 LEU 377 HD13 -0.01 -0.03 -0.15 -0.04 0.93 0.70 1nf7A1 LEU 377 HD23 0.02 -0.00 -0.39 -0.04 0.89 0.47 1nf7A1 ALA 378 H 0.07 0.55 -0.23 -0.55 8.40 8.24 1nf7A1 ALA 378 HA 0.07 0.02 0.29 -0.75 4.34 3.96 1nf7A1 ALA 378 HB3 0.15 -0.00 0.04 -0.04 1.41 1.56 1nf7A1 LEU 379 H 0.06 0.29 -0.65 -0.55 8.37 7.53 1nf7A1 LEU 379 HA -0.02 0.13 0.67 -0.75 4.35 4.38 1nf7A1 LEU 379 HB2 -0.01 0.06 -0.00 -0.04 1.64 1.65 1nf7A1 LEU 379 HB3 -0.13 -0.10 0.09 -0.04 1.64 1.46 1nf7A1 LEU 379 HG 0.07 0.27 -0.11 -0.04 1.64 1.83 1nf7A1 LEU 379 HD13 -0.36 -0.04 -0.10 -0.04 0.93 0.40 1nf7A1 LEU 379 HD23 -0.59 0.00 -0.14 -0.04 0.89 0.13 1nf7A1 GLY 380 H 0.03 0.44 -0.31 -0.55 8.43 8.03 1nf7A1 GLY 380 HA2 0.12 0.01 0.20 -0.51 4.01 3.84 1nf7A1 GLY 380 HA3 0.06 0.15 0.85 -0.51 4.01 4.56 1nf7A1 ALA 381 H 0.04 0.26 0.02 -0.55 8.40 8.17 1nf7A1 ALA 381 HA 0.04 0.00 0.59 -0.75 4.34 4.22 1nf7A1 ALA 381 HB3 0.04 -0.01 -0.13 -0.04 1.41 1.27 1nf7A1 SER 382 H 0.03 0.26 0.39 -0.55 8.46 8.59 1nf7A1 SER 382 HA 0.03 0.13 0.75 -0.75 4.49 4.66 1nf7A1 SER 382 HB2 0.03 -0.02 0.19 -0.04 3.95 4.11 1nf7A1 SER 382 HB3 0.03 0.08 0.13 -0.04 3.93 4.13 1nf7A1 THR 383 H 0.02 0.34 0.29 -0.55 8.28 8.37 1nf7A1 THR 383 HA 0.01 0.17 0.73 -0.75 4.39 4.54 1nf7A1 THR 383 HB 0.02 0.10 -0.06 -0.04 4.32 4.34 1nf7A1 THR 383 HG23 0.02 0.01 -0.42 -0.04 1.22 0.79 1nf7A1 VAL 384 H 0.01 0.81 0.25 -0.55 8.24 8.76 1nf7A1 VAL 384 HA 0.01 0.09 0.91 -0.75 4.13 4.40 1nf7A1 VAL 384 HB 0.01 0.01 -0.00 -0.04 2.12 2.10 1nf7A1 VAL 384 HG13 -0.01 -0.01 -0.13 -0.04 0.97 0.79 1nf7A1 VAL 384 HG23 0.01 -0.02 -0.23 -0.04 0.95 0.67 1nf7A1 MET 385 H 0.00 0.48 0.04 -0.55 8.47 8.45 1nf7A1 MET 385 HA -0.01 0.47 0.93 -0.75 4.52 5.16 1nf7A1 MET 385 HB2 -0.08 0.06 -0.22 -0.04 2.15 1.87 1nf7A1 MET 385 HB3 -0.03 -0.14 -0.05 -0.04 2.03 1.77 1nf7A1 MET 385 HG2 -0.03 -0.16 -0.31 -0.04 2.63 2.09 1nf7A1 MET 385 HG3 -0.06 0.20 -0.38 -0.04 2.56 2.27 1nf7A1 MET 385 HE3 -0.48 0.03 -0.23 -0.04 2.10 1.38 1nf7A1 MET 386 H 0.01 0.63 0.29 -0.55 8.47 8.85 1nf7A1 MET 386 HA 0.03 0.06 0.95 -0.75 4.52 4.81 1nf7A1 MET 386 HB2 0.03 0.09 -0.13 -0.04 2.15 2.10 1nf7A1 MET 386 HB3 0.03 -0.17 -0.15 -0.04 2.03 1.69 1nf7A1 MET 386 HG2 0.05 -0.03 -0.17 -0.04 2.63 2.43 1nf7A1 MET 386 HG3 0.03 0.08 -0.67 -0.04 2.56 1.97 1nf7A1 MET 386 HE3 0.11 -0.01 -0.18 -0.04 2.10 1.98 1nf7A1 GLY 387 H 0.00 -0.01 0.05 -0.55 8.43 7.92 1nf7A1 GLY 387 HA2 0.00 0.28 0.84 -0.51 4.01 4.62 1nf7A1 GLY 387 HA3 0.08 -0.03 0.29 -0.51 4.01 3.83 1nf7A1 SER 388 H -0.09 0.05 0.13 -0.55 8.46 8.01 1nf7A1 SER 388 HA -1.13 0.20 0.32 -0.75 4.49 3.13 1nf7A1 SER 388 HB2 -0.18 0.14 0.02 -0.04 3.95 3.88 1nf7A1 SER 388 HB3 -0.03 -0.08 0.11 -0.04 3.93 3.88 1nf7A1 LEU 389 H -0.06 -0.00 -0.18 -0.55 8.37 7.58 1nf7A1 LEU 389 HA -0.03 0.10 0.29 -0.75 4.35 3.96 1nf7A1 LEU 389 HB2 0.05 0.09 0.02 -0.04 1.64 1.76 1nf7A1 LEU 389 HB3 0.06 -0.03 -0.13 -0.04 1.64 1.50 1nf7A1 LEU 389 HG 0.34 0.02 -0.01 -0.04 1.64 1.95 1nf7A1 LEU 389 HD13 0.18 0.01 -0.11 -0.04 0.93 0.97 1nf7A1 LEU 389 HD23 0.10 -0.01 -0.25 -0.04 0.89 0.69 1nf7A1 LEU 390 H -0.20 0.33 -1.33 -0.55 8.37 6.63 1nf7A1 LEU 390 HA -0.28 0.04 0.53 -0.75 4.35 3.89 1nf7A1 LEU 390 HB2 -0.07 0.05 -0.13 -0.04 1.64 1.45 1nf7A1 LEU 390 HB3 -0.07 0.02 0.09 -0.04 1.64 1.64 1nf7A1 LEU 390 HG 0.05 -0.17 -0.70 -0.04 1.64 0.77 1nf7A1 LEU 390 HD13 0.04 0.01 -0.18 -0.04 0.93 0.75 1nf7A1 LEU 390 HD23 0.11 0.07 -0.03 -0.04 0.89 1.00 1nf7A1 ALA 391 H -0.25 0.23 0.04 -0.55 8.40 7.88 1nf7A1 ALA 391 HA -0.17 0.33 0.88 -0.75 4.34 4.63 1nf7A1 ALA 391 HB3 -0.38 -0.02 0.09 -0.04 1.41 1.06 1nf7A1 ALA 392 H -0.15 -0.01 0.03 -0.55 8.40 7.72 1nf7A1 ALA 392 HA -0.08 0.22 0.25 -0.75 4.34 3.97 1nf7A1 ALA 392 HB3 -0.02 -0.07 -0.17 -0.04 1.41 1.11 1nf7A1 THR 393 H -0.16 -0.17 -0.69 -0.55 8.28 6.71 1nf7A1 THR 393 HA -0.02 0.12 0.15 -0.75 4.39 3.88 1nf7A1 THR 393 HB -0.08 -0.23 -0.00 -0.04 4.32 3.97 1nf7A1 THR 393 HG23 -0.28 -0.03 -0.29 -0.04 1.22 0.58 1nf7A1 THR 394 H 0.08 0.14 0.30 -0.55 8.28 8.25 1nf7A1 THR 394 HA 0.27 0.29 0.61 -0.75 4.39 4.80 1nf7A1 THR 394 HB 0.11 0.03 0.10 -0.04 4.32 4.53 1nf7A1 THR 394 HG23 0.09 0.04 0.07 -0.04 1.22 1.38 1nf7A1 GLU 395 H 0.02 -0.16 -0.11 -0.55 8.60 7.80 1nf7A1 GLU 395 HA 0.02 0.17 0.52 -0.75 4.29 4.24 1nf7A1 GLU 395 HB2 -0.02 -0.11 0.04 -0.04 2.09 1.96 1nf7A1 GLU 395 HB3 -0.02 0.02 -0.14 -0.04 1.99 1.80 1nf7A1 GLU 395 HG2 -0.05 -0.01 0.04 -0.04 2.34 2.29 1nf7A1 GLU 395 HG3 0.03 0.13 0.01 -0.04 2.34 2.46 1nf7A1 ALA 396 H -0.03 0.15 -0.57 -0.55 8.40 7.41 1nf7A1 ALA 396 HA -0.02 0.05 0.49 -0.75 4.34 4.11 1nf7A1 ALA 396 HB3 -0.07 0.09 0.11 -0.04 1.41 1.50 1nf7A1 PRO 397 HA -0.01 -0.01 0.37 -0.51 4.44 4.28 1nf7A1 PRO 397 HB2 -0.02 0.05 -0.07 -0.04 2.28 2.19 1nf7A1 PRO 397 HB3 0.01 -0.03 0.01 -0.04 2.02 1.97 1nf7A1 PRO 397 HG2 0.04 -0.06 -0.40 -0.04 2.03 1.56 1nf7A1 PRO 397 HG3 0.04 -0.02 -0.16 -0.04 2.03 1.85 1nf7A1 PRO 397 HD2 -0.01 0.09 -0.59 -0.04 3.68 3.12 1nf7A1 PRO 397 HD3 0.00 0.21 -0.12 -0.04 3.65 3.70 1nf7A1 GLY 398 H -0.02 -0.00 0.13 -0.55 8.43 7.99 1nf7A1 GLY 398 HA2 -0.03 -0.08 0.38 -0.51 4.01 3.77 1nf7A1 GLY 398 HA3 -0.07 0.13 0.65 -0.51 4.01 4.21 1nf7A1 GLU 399 H -0.04 0.10 0.21 -0.55 8.60 8.32 1nf7A1 GLU 399 HA -0.09 0.25 0.97 -0.75 4.29 4.67 1nf7A1 GLU 399 HB2 -0.06 -0.04 0.09 -0.04 2.09 2.03 1nf7A1 GLU 399 HB3 -0.08 0.05 0.11 -0.04 1.99 2.03 1nf7A1 GLU 399 HG2 -0.03 -0.01 0.01 -0.04 2.34 2.27 1nf7A1 GLU 399 HG3 -0.00 0.08 -0.01 -0.04 2.34 2.37 1nf7A1 TYR 400 H 0.22 0.09 0.20 -0.55 8.29 8.25 1nf7A1 TYR 400 HA -0.04 0.23 0.61 -0.75 4.56 4.60 1nf7A1 TYR 400 HB2 -0.13 -0.09 0.09 -0.04 3.06 2.89 1nf7A1 TYR 400 HB3 -0.20 -0.11 0.19 -0.04 2.98 2.82 1nf7A1 TYR 400 HD2 -0.10 -0.05 0.15 -0.04 7.15 7.10 1nf7A1 TYR 400 HE2 -0.06 -0.05 0.09 -0.04 6.85 6.79 1nf7A1 PHE 401 H 0.13 0.21 -0.01 -0.55 8.34 8.11 1nf7A1 PHE 401 HA 0.11 0.06 0.66 -0.75 4.62 4.70 1nf7A1 PHE 401 HB2 0.02 -0.01 -0.22 -0.04 3.15 2.90 1nf7A1 PHE 401 HB3 0.04 0.01 0.05 -0.04 3.06 3.11 1nf7A1 PHE 401 HD2 0.06 -0.00 -0.04 -0.04 7.28 7.25 1nf7A1 PHE 401 HE2 0.04 -0.03 -0.00 -0.04 7.38 7.34 1nf7A1 PHE 401 HZ 0.03 -0.02 0.00 -0.04 7.32 7.29 1nf7A1 PHE 402 H 0.40 0.09 0.03 -0.55 8.34 8.30 1nf7A1 PHE 402 HA 0.10 0.12 0.30 -0.75 4.62 4.39 1nf7A1 PHE 402 HB2 0.10 -0.01 0.06 -0.04 3.15 3.26 1nf7A1 PHE 402 HB3 0.06 -0.06 -0.13 -0.04 3.06 2.88 1nf7A1 PHE 402 HD2 0.04 -0.01 -0.21 -0.04 7.28 7.06 1nf7A1 PHE 402 HE2 -0.02 0.02 -0.07 -0.04 7.38 7.27 1nf7A1 PHE 402 HZ -0.04 0.02 -0.03 -0.04 7.32 7.22 1nf7A1 SER 403 H 0.13 0.93 0.23 -0.55 8.46 9.21 1nf7A1 SER 403 HA 0.10 0.03 0.76 -0.75 4.49 4.63 1nf7A1 SER 403 HB2 0.06 0.16 -0.09 -0.04 3.95 4.04 1nf7A1 SER 403 HB3 0.05 0.02 0.08 -0.04 3.93 4.04 1nf7A1 ASP 404 H 0.07 0.15 0.10 -0.55 8.40 8.17 1nf7A1 ASP 404 HA 0.04 0.03 0.34 -0.75 4.63 4.28 1nf7A1 ASP 404 HB2 0.04 0.27 0.27 -0.04 2.71 3.24 1nf7A1 ASP 404 HB3 0.03 -0.00 0.20 -0.04 2.70 2.88 1nf7A1 GLY 405 H 0.08 0.06 -0.03 -0.55 8.43 8.01 1nf7A1 GLY 405 HA2 0.07 -0.01 0.25 -0.51 4.01 3.82 1nf7A1 GLY 405 HA3 0.05 0.08 0.34 -0.51 4.01 3.97 1nf7A1 ILE 406 H 0.16 0.07 -0.76 -0.55 8.25 7.17 1nf7A1 ILE 406 HA 0.14 0.11 0.78 -0.75 4.18 4.46 1nf7A1 ILE 406 HB 0.05 0.16 -0.01 -0.04 1.89 2.05 1nf7A1 ILE 406 HG12 0.04 0.00 -0.08 -0.04 1.49 1.42 1nf7A1 ILE 406 HG13 0.05 0.21 -0.52 -0.04 1.21 0.91 1nf7A1 ILE 406 HG23 0.02 0.01 0.03 -0.04 0.93 0.95 1nf7A1 ILE 406 HD13 0.02 -0.03 0.00 -0.04 0.88 0.83 1nf7A1 ARG 407 H -0.02 0.08 0.10 -0.55 8.46 8.06 1nf7A1 ARG 407 HA -0.86 -0.00 0.34 -0.75 4.34 3.06 1nf7A1 ARG 407 HB2 -0.12 -0.06 -0.13 -0.04 1.90 1.56 1nf7A1 ARG 407 HB3 -0.32 0.04 0.06 -0.04 1.80 1.54 1nf7A1 ARG 407 HG2 -0.29 0.02 0.02 -0.04 1.67 1.37 1nf7A1 ARG 407 HG3 -0.02 -0.06 0.11 -0.04 1.67 1.66 1nf7A1 ARG 407 HD2 -0.05 -0.04 0.04 -0.04 3.22 3.14 1nf7A1 ARG 407 HD3 -0.12 0.05 0.01 -0.04 3.22 3.11 1nf7A1 LEU 408 H -0.10 0.17 0.14 -0.55 8.37 8.04 1nf7A1 LEU 408 HA -0.00 0.39 0.59 -0.75 4.35 4.57 1nf7A1 LEU 408 HB2 0.01 0.13 0.01 -0.04 1.64 1.75 1nf7A1 LEU 408 HB3 0.02 0.02 -0.37 -0.04 1.64 1.27 1nf7A1 LEU 408 HG 0.02 -0.18 -0.08 -0.04 1.64 1.36 1nf7A1 LEU 408 HD13 0.04 0.02 -0.08 -0.04 0.93 0.87 1nf7A1 LEU 408 HD23 0.10 0.03 -0.30 -0.04 0.89 0.67 1nf7A1 LYS 409 H -0.01 0.20 0.17 -0.55 8.42 8.22 1nf7A1 LYS 409 HA -0.16 0.07 0.58 -0.75 4.32 4.05 1nf7A1 LYS 409 HB2 -0.35 0.11 -0.13 -0.04 1.87 1.46 1nf7A1 LYS 409 HB3 -0.12 -0.19 -0.03 -0.04 1.79 1.41 1nf7A1 LYS 409 HG2 -0.33 0.25 -0.13 -0.04 1.46 1.20 1nf7A1 LYS 409 HG3 -0.16 0.10 -0.28 -0.04 1.46 1.07 1nf7A1 LYS 409 HD2 -0.24 -0.20 -0.06 -0.04 1.69 1.15 1nf7A1 LYS 409 HD3 -0.74 -0.10 -0.17 -0.04 1.68 0.63 1nf7A1 LYS 409 HE2 -0.20 0.20 -0.19 -0.04 2.99 2.75 1nf7A1 LYS 409 HE3 -0.25 -0.23 -0.59 -0.04 2.99 1.88 1nf7A1 LYS 410 H -0.05 0.17 0.13 -0.55 8.42 8.12 1nf7A1 LYS 410 HA 0.01 0.10 0.54 -0.75 4.32 4.22 1nf7A1 LYS 410 HB2 -0.00 0.01 0.17 -0.04 1.87 2.01 1nf7A1 LYS 410 HB3 -0.02 0.07 0.08 -0.04 1.79 1.88 1nf7A1 LYS 410 HG2 -0.02 -0.12 0.01 -0.04 1.46 1.30 1nf7A1 LYS 410 HG3 -0.01 0.03 0.10 -0.04 1.46 1.54 1nf7A1 LYS 410 HD2 -0.03 -0.07 -0.04 -0.04 1.69 1.51 1nf7A1 LYS 410 HD3 -0.01 0.03 0.01 -0.04 1.68 1.66 1nf7A1 LYS 410 HE2 -0.03 0.08 -0.05 -0.04 2.99 2.96 1nf7A1 LYS 410 HE3 -0.04 -0.08 -0.12 -0.04 2.99 2.72 1nf7A1 TYR 411 H 0.03 0.64 0.20 -0.55 8.29 8.61 1nf7A1 TYR 411 HA -0.05 0.04 0.33 -0.75 4.56 4.13 1nf7A1 TYR 411 HB2 -0.05 0.35 0.05 -0.04 3.06 3.36 1nf7A1 TYR 411 HB3 -0.03 -0.11 -0.19 -0.04 2.98 2.60 1nf7A1 TYR 411 HD2 -0.03 0.11 -0.16 -0.04 7.15 7.03 1nf7A1 TYR 411 HE2 -0.01 -0.07 -0.18 -0.04 6.85 6.55 1nf7A1 ARG 412 H -0.36 0.27 0.10 -0.55 8.46 7.91 1nf7A1 ARG 412 HA -0.44 0.19 0.83 -0.75 4.34 4.17 1nf7A1 ARG 412 HB2 -0.15 0.06 0.00 -0.04 1.90 1.76 1nf7A1 ARG 412 HB3 -0.15 -0.13 0.28 -0.04 1.80 1.76 1nf7A1 ARG 412 HG2 -0.09 0.08 -0.12 -0.04 1.67 1.50 1nf7A1 ARG 412 HG3 -0.14 -0.09 -0.10 -0.04 1.67 1.31 1nf7A1 ARG 412 HD2 -0.10 -0.00 -0.18 -0.04 3.22 2.89 1nf7A1 ARG 412 HD3 -0.10 -0.05 -0.17 -0.04 3.22 2.87 1nf7A1 GLY 413 H -0.20 0.65 0.28 -0.55 8.43 8.61 1nf7A1 GLY 413 HA2 -0.15 0.07 0.58 -0.51 4.01 4.00 1nf7A1 GLY 413 HA3 -0.11 -0.00 0.28 -0.51 4.01 3.67 1nf7A1 MET 414 H -0.04 0.18 0.14 -0.55 8.47 8.19 1nf7A1 MET 414 HA -0.03 0.13 0.35 -0.75 4.52 4.21 1nf7A1 MET 414 HB2 0.04 -0.01 0.01 -0.04 2.15 2.15 1nf7A1 MET 414 HB3 0.07 0.11 0.08 -0.04 2.03 2.25 1nf7A1 MET 414 HG2 -0.00 -0.08 0.14 -0.04 2.63 2.65 1nf7A1 MET 414 HG3 0.07 0.22 0.16 -0.04 2.56 2.97 1nf7A1 MET 414 HE3 0.08 0.07 0.06 -0.04 2.10 2.26 1nf7A1 GLY 415 H -0.03 -0.12 -0.74 -0.55 8.43 6.99 1nf7A1 GLY 415 HA2 -0.00 0.28 0.60 -0.51 4.01 4.38 1nf7A1 GLY 415 HA3 -0.01 -0.06 0.14 -0.51 4.01 3.57 1nf7A1 SER 416 H -0.05 0.54 -0.31 -0.55 8.46 8.10 1nf7A1 SER 416 HA -0.03 0.14 0.38 -0.75 4.49 4.22 1nf7A1 SER 416 HB2 -0.05 -0.02 -0.11 -0.04 3.95 3.73 1nf7A1 SER 416 HB3 -0.07 -0.01 -0.21 -0.04 3.93 3.60 1nf7A1 LEU 417 H -0.03 0.19 0.13 -0.55 8.37 8.12 1nf7A1 LEU 417 HA -0.02 0.12 0.34 -0.75 4.35 4.04 1nf7A1 LEU 417 HB2 -0.02 -0.04 0.09 -0.04 1.64 1.63 1nf7A1 LEU 417 HB3 -0.02 0.09 0.03 -0.04 1.64 1.69 1nf7A1 LEU 417 HG -0.02 -0.08 0.14 -0.04 1.64 1.65 1nf7A1 LEU 417 HD13 -0.01 0.02 0.05 -0.04 0.93 0.95 1nf7A1 LEU 417 HD23 -0.01 0.02 0.01 -0.04 0.89 0.87 1nf7A1 ASP 418 H -0.03 -0.01 -0.23 -0.55 8.40 7.58 1nf7A1 ASP 418 HA -0.03 0.16 0.37 -0.75 4.63 4.38 1nf7A1 ASP 418 HB2 -0.04 -0.15 0.02 -0.04 2.71 2.50 1nf7A1 ASP 418 HB3 -0.04 0.09 -0.11 -0.04 2.70 2.60 1nf7A1 ALA 419 H -0.05 -0.05 -0.27 -0.55 8.40 7.49 1nf7A1 ALA 419 HA -0.04 0.05 0.27 -0.75 4.34 3.86 1nf7A1 ALA 419 HB3 -0.05 -0.02 -0.05 -0.04 1.41 1.25 1nf7A1 MET 420 H -0.03 0.37 -0.63 -0.55 8.47 7.64 1nf7A1 MET 420 HA -0.02 0.06 0.34 -0.75 4.52 4.14 1nf7A1 MET 420 HB2 -0.02 0.03 -0.00 -0.04 2.15 2.12 1nf7A1 MET 420 HB3 -0.02 -0.07 0.00 -0.04 2.03 1.90 1nf7A1 MET 420 HG2 -0.01 0.00 -0.10 -0.04 2.63 2.48 1nf7A1 MET 420 HG3 -0.02 0.23 -0.31 -0.04 2.56 2.42 1nf7A1 MET 420 HE3 -0.01 -0.02 -0.39 -0.04 2.10 1.64 1nf7A1 ILE 437 HA -0.01 -0.11 0.35 -0.75 4.18 3.66 1nf7A1 ILE 437 HB -0.01 -0.01 0.02 -0.04 1.89 1.85 1nf7A1 ILE 437 HG12 -0.01 -0.00 0.03 -0.04 1.49 1.47 1nf7A1 ILE 437 HG13 -0.01 -0.02 0.06 -0.04 1.21 1.19 1nf7A1 ILE 437 HG23 -0.01 0.07 0.02 -0.04 0.93 0.97 1nf7A1 ILE 437 HD13 -0.01 -0.00 0.03 -0.04 0.88 0.86 1nf7A1 LYS 438 H -0.01 0.07 0.25 -0.55 8.42 8.17 1nf7A1 LYS 438 HA -0.01 0.09 0.52 -0.75 4.32 4.17 1nf7A1 LYS 438 HB2 -0.01 0.01 -0.28 -0.04 1.87 1.55 1nf7A1 LYS 438 HB3 -0.01 -0.02 -0.08 -0.04 1.79 1.64 1nf7A1 LYS 438 HG2 -0.01 0.05 -0.10 -0.04 1.46 1.36 1nf7A1 LYS 438 HG3 -0.00 -0.02 0.03 -0.04 1.46 1.43 1nf7A1 LYS 438 HD2 -0.01 0.02 -0.13 -0.04 1.69 1.52 1nf7A1 LYS 438 HD3 -0.01 0.01 -0.08 -0.04 1.68 1.56 1nf7A1 LYS 438 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.90 1nf7A1 LYS 438 HE3 -0.00 -0.00 -0.02 -0.04 2.99 2.92 1nf7A1 VAL 439 H -0.00 0.12 0.12 -0.55 8.24 7.93 1nf7A1 VAL 439 HA -0.01 0.14 0.72 -0.75 4.13 4.23 1nf7A1 VAL 439 HB -0.00 -0.08 0.15 -0.04 2.12 2.15 1nf7A1 VAL 439 HG13 -0.00 0.03 -0.10 -0.04 0.97 0.85 1nf7A1 VAL 439 HG23 -0.00 0.02 0.03 -0.04 0.95 0.96 1nf7A1 ALA 440 H -0.01 0.19 0.16 -0.55 8.40 8.20 1nf7A1 ALA 440 HA -0.01 0.13 0.50 -0.75 4.34 4.21 1nf7A1 ALA 440 HB3 -0.01 0.00 0.16 -0.04 1.41 1.52 1nf7A1 GLN 441 H -0.01 0.34 0.22 -0.55 8.47 8.47 1nf7A1 GLN 441 HA -0.01 0.28 0.74 -0.75 4.36 4.62 1nf7A1 GLN 441 HB2 -0.00 -0.04 0.05 -0.04 2.15 2.11 1nf7A1 GLN 441 HB3 -0.00 -0.18 0.12 -0.04 2.02 1.92 1nf7A1 GLN 441 HG2 -0.00 0.12 -0.16 -0.04 2.40 2.32 1nf7A1 GLN 441 HG3 -0.00 0.26 -0.14 -0.04 2.39 2.47 1nf7A1 GLN 441 HE21 0.01 -0.08 -0.00 -0.04 6.97 6.86 1nf7A1 GLN 441 HE22 0.00 0.11 -0.01 -0.04 7.69 7.75 1nf7A1 GLY 442 H -0.02 0.25 -0.10 -0.55 8.43 8.01 1nf7A1 GLY 442 HA2 -0.02 0.16 0.96 -0.51 4.01 4.60 1nf7A1 GLY 442 HA3 -0.04 -0.19 0.19 -0.51 4.01 3.45 1nf7A1 VAL 443 H -0.06 0.48 0.34 -0.55 8.24 8.44 1nf7A1 VAL 443 HA -0.04 0.20 1.00 -0.75 4.13 4.54 1nf7A1 VAL 443 HB -0.03 0.06 0.12 -0.04 2.12 2.23 1nf7A1 VAL 443 HG13 -0.02 0.01 -0.20 -0.04 0.97 0.73 1nf7A1 VAL 443 HG23 -0.04 0.06 -0.05 -0.04 0.95 0.88 1nf7A1 SER 444 H -0.05 0.27 0.23 -0.55 8.46 8.37 1nf7A1 SER 444 HA -0.12 0.04 1.07 -0.75 4.49 4.73 1nf7A1 SER 444 HB2 -0.06 -0.13 -0.02 -0.04 3.95 3.70 1nf7A1 SER 444 HB3 -0.04 0.06 0.10 -0.04 3.93 4.01 1nf7A1 GLY 445 H -0.08 0.29 0.12 -0.55 8.43 8.22 1nf7A1 GLY 445 HA2 -0.01 0.10 0.49 -0.51 4.01 4.08 1nf7A1 GLY 445 HA3 0.00 0.01 0.42 -0.51 4.01 3.94 1nf7A1 ALA 446 H 0.05 0.32 0.23 -0.55 8.40 8.46 1nf7A1 ALA 446 HA 0.09 0.13 0.44 -0.75 4.34 4.25 1nf7A1 ALA 446 HB3 0.02 -0.00 -0.20 -0.04 1.41 1.19 1nf7A1 VAL 447 H 0.02 0.74 0.26 -0.55 8.24 8.71 1nf7A1 VAL 447 HA 0.02 0.21 0.98 -0.75 4.13 4.58 1nf7A1 VAL 447 HB -0.02 -0.15 0.14 -0.04 2.12 2.05 1nf7A1 VAL 447 HG13 -0.00 0.01 -0.18 -0.04 0.97 0.76 1nf7A1 VAL 447 HG23 -0.08 0.06 -0.10 -0.04 0.95 0.79 1nf7A1 GLN 448 H -0.00 0.03 0.07 -0.55 8.47 8.03 1nf7A1 GLN 448 HA -0.01 0.24 0.23 -0.75 4.36 4.07 1nf7A1 GLN 448 HB2 0.00 -0.03 0.14 -0.04 2.15 2.21 1nf7A1 GLN 448 HB3 -0.00 -0.41 0.22 -0.04 2.02 1.78 1nf7A1 GLN 448 HG2 -0.00 0.04 0.03 -0.04 2.40 2.43 1nf7A1 GLN 448 HG3 0.00 0.04 0.02 -0.04 2.39 2.41 1nf7A1 GLN 448 HE21 -0.00 0.02 0.06 -0.04 6.97 7.00 1nf7A1 GLN 448 HE22 -0.00 -0.00 0.06 -0.04 7.69 7.71 1nf7A1 ASP 449 H -0.00 0.17 0.02 -0.55 8.40 8.05 1nf7A1 ASP 449 HA 0.08 0.11 0.63 -0.75 4.63 4.70 1nf7A1 ASP 449 HB2 0.02 0.09 -0.13 -0.04 2.71 2.64 1nf7A1 ASP 449 HB3 -0.06 -0.10 0.03 -0.04 2.70 2.53 1nf7A1 LYS 450 H -0.00 0.08 -0.09 -0.55 8.42 7.85 1nf7A1 LYS 450 HA 0.08 0.15 0.68 -0.75 4.32 4.47 1nf7A1 LYS 450 HB2 -0.23 -0.02 -0.11 -0.04 1.87 1.47 1nf7A1 LYS 450 HB3 -0.09 -0.09 0.04 -0.04 1.79 1.61 1nf7A1 LYS 450 HG2 0.03 0.06 -0.09 -0.04 1.46 1.42 1nf7A1 LYS 450 HG3 -0.10 -0.08 -0.15 -0.04 1.46 1.09 1nf7A1 LYS 450 HD2 -0.57 -0.04 -0.15 -0.04 1.69 0.88 1nf7A1 LYS 450 HD3 -0.95 0.01 -0.06 -0.04 1.68 0.64 1nf7A1 LYS 450 HE2 0.03 0.07 -0.04 -0.04 2.99 3.01 1nf7A1 LYS 450 HE3 0.12 0.01 -0.05 -0.04 2.99 3.03 1nf7A1 GLY 451 H 0.34 0.05 0.04 -0.55 8.43 8.31 1nf7A1 GLY 451 HA2 0.12 0.21 0.38 -0.51 4.01 4.20 1nf7A1 GLY 451 HA3 0.31 -0.04 0.41 -0.51 4.01 4.18 1nf7A1 SER 452 H 0.18 0.17 0.20 -0.55 8.46 8.47 1nf7A1 SER 452 HA 0.08 0.15 1.03 -0.75 4.49 4.99 1nf7A1 SER 452 HB2 0.11 0.18 0.04 -0.04 3.95 4.24 1nf7A1 SER 452 HB3 0.15 0.02 0.13 -0.04 3.93 4.19 1nf7A1 ILE 453 H 0.02 0.22 0.16 -0.55 8.25 8.11 1nf7A1 ILE 453 HA 0.10 -0.01 0.33 -0.75 4.18 3.84 1nf7A1 ILE 453 HB -0.13 0.06 0.06 -0.04 1.89 1.84 1nf7A1 ILE 453 HG12 -0.03 -0.13 0.08 -0.04 1.49 1.37 1nf7A1 ILE 453 HG13 -0.05 0.13 0.01 -0.04 1.21 1.27 1nf7A1 ILE 453 HG23 -0.09 0.04 -0.17 -0.04 0.93 0.67 1nf7A1 ILE 453 HD13 0.00 0.01 -0.03 -0.04 0.88 0.82 1nf7A1 HIS 454 H 0.12 -0.01 -0.62 -0.55 8.41 7.36 1nf7A1 HIS 454 HA 0.09 0.21 0.53 -0.75 4.63 4.70 1nf7A1 HIS 454 HB2 0.09 -0.08 0.01 -0.04 3.26 3.25 1nf7A1 HIS 454 HB3 0.12 0.09 0.04 -0.04 3.20 3.40 1nf7A1 HIS 454 HD2 0.06 -0.05 -0.01 -0.04 6.97 6.93 1nf7A1 HIS 454 HE1 -0.22 0.07 -0.05 -0.04 7.75 7.51 1nf7A1 LYS 455 H 0.13 0.54 -0.02 -0.55 8.42 8.51 1nf7A1 LYS 455 HA 0.06 0.28 0.92 -0.75 4.32 4.83 1nf7A1 LYS 455 HB2 0.17 -0.16 0.15 -0.04 1.87 2.00 1nf7A1 LYS 455 HB3 0.17 -0.01 0.05 -0.04 1.79 1.96 1nf7A1 LYS 455 HG2 0.15 -0.04 -0.21 -0.04 1.46 1.31 1nf7A1 LYS 455 HG3 0.16 0.01 0.00 -0.04 1.46 1.58 1nf7A1 LYS 455 HD2 0.12 -0.03 0.05 -0.04 1.69 1.79 1nf7A1 LYS 455 HD3 0.09 0.13 0.16 -0.04 1.68 2.01 1nf7A1 LYS 455 HE2 0.08 -0.02 -0.00 -0.04 2.99 3.01 1nf7A1 LYS 455 HE3 0.06 0.04 0.03 -0.04 2.99 3.08 1nf7A1 PHE 456 H 0.13 0.54 0.16 -0.55 8.34 8.61 1nf7A1 PHE 456 HA -0.57 0.05 0.42 -0.75 4.62 3.76 1nf7A1 PHE 456 HB2 -0.06 -0.09 -0.12 -0.04 3.15 2.83 1nf7A1 PHE 456 HB3 -0.06 -0.02 -0.04 -0.04 3.06 2.90 1nf7A1 PHE 456 HD2 -0.05 -0.03 -0.10 -0.04 7.28 7.07 1nf7A1 PHE 456 HE2 0.06 0.01 -0.05 -0.04 7.38 7.36 1nf7A1 PHE 456 HZ 0.05 -0.03 -0.02 -0.04 7.32 7.28 1nf7A1 VAL 457 H 0.08 0.29 -0.05 -0.55 8.24 8.02 1nf7A1 VAL 457 HA -0.12 -0.03 0.35 -0.75 4.13 3.58 1nf7A1 VAL 457 HB -0.00 0.22 0.10 -0.04 2.12 2.39 1nf7A1 VAL 457 HG13 -0.02 0.01 -0.22 -0.04 0.97 0.69 1nf7A1 VAL 457 HG23 0.05 -0.05 0.02 -0.04 0.95 0.93 1nf7A1 PRO 458 HA -0.04 0.09 0.37 -0.51 4.44 4.35 1nf7A1 PRO 458 HB2 -0.01 0.08 -0.00 -0.04 2.28 2.31 1nf7A1 PRO 458 HB3 0.01 0.04 0.08 -0.04 2.02 2.11 1nf7A1 PRO 458 HG2 0.06 0.32 0.07 -0.04 2.03 2.43 1nf7A1 PRO 458 HG3 0.04 0.08 0.04 -0.04 2.03 2.15 1nf7A1 PRO 458 HD2 -0.02 -0.20 -0.96 -0.04 3.68 2.46 1nf7A1 PRO 458 HD3 0.01 0.18 -0.13 -0.04 3.65 3.68 1nf7A1 TYR 459 H -0.17 0.36 -0.54 -0.55 8.29 7.39 1nf7A1 TYR 459 HA -0.14 0.03 0.48 -0.75 4.56 4.18 1nf7A1 TYR 459 HB2 -0.58 -0.01 0.12 -0.04 3.06 2.56 1nf7A1 TYR 459 HB3 -0.74 0.26 0.23 -0.04 2.98 2.69 1nf7A1 TYR 459 HD2 -0.32 0.02 0.01 -0.04 7.15 6.82 1nf7A1 TYR 459 HE2 0.01 0.02 -0.02 -0.04 6.85 6.82 1nf7A1 LEU 460 H -0.38 0.48 -0.02 -0.55 8.37 7.90 1nf7A1 LEU 460 HA -0.53 -0.09 0.42 -0.75 4.35 3.40 1nf7A1 LEU 460 HB2 -0.23 0.24 0.16 -0.04 1.64 1.78 1nf7A1 LEU 460 HB3 -0.21 -0.06 -0.01 -0.04 1.64 1.32 1nf7A1 LEU 460 HG -0.77 0.15 0.01 -0.04 1.64 0.99 1nf7A1 LEU 460 HD13 -0.05 -0.01 -0.09 -0.04 0.93 0.73 1nf7A1 LEU 460 HD23 -0.32 -0.03 -0.04 -0.04 0.89 0.46 1nf7A1 ILE 461 H -0.16 0.51 -0.25 -0.55 8.25 7.79 1nf7A1 ILE 461 HA -0.10 0.01 0.31 -0.75 4.18 3.65 1nf7A1 ILE 461 HB -0.07 0.18 0.12 -0.04 1.89 2.07 1nf7A1 ILE 461 HG12 -0.06 -0.06 -0.05 -0.04 1.49 1.29 1nf7A1 ILE 461 HG13 -0.08 0.12 -0.10 -0.04 1.21 1.11 1nf7A1 ILE 461 HG23 -0.05 0.00 -0.09 -0.04 0.93 0.75 1nf7A1 ILE 461 HD13 -0.02 0.03 -0.05 -0.04 0.88 0.80 1nf7A1 ALA 462 H -0.11 0.42 -0.19 -0.55 8.40 7.96 1nf7A1 ALA 462 HA -0.11 0.05 0.41 -0.75 4.34 3.93 1nf7A1 ALA 462 HB3 0.07 0.03 0.14 -0.04 1.41 1.61 1nf7A1 GLY 463 H -0.24 0.57 -0.09 -0.55 8.43 8.13 1nf7A1 GLY 463 HA2 0.01 0.01 0.38 -0.51 4.01 3.90 1nf7A1 GLY 463 HA3 -0.22 -0.02 0.33 -0.51 4.01 3.59 1nf7A1 ILE 464 H -0.13 0.69 -0.01 -0.55 8.25 8.24 1nf7A1 ILE 464 HA -0.05 -0.08 0.30 -0.75 4.18 3.59 1nf7A1 ILE 464 HB -0.07 0.15 0.05 -0.04 1.89 1.98 1nf7A1 ILE 464 HG12 -0.08 -0.13 -0.02 -0.04 1.49 1.22 1nf7A1 ILE 464 HG13 -0.13 0.12 0.15 -0.04 1.21 1.31 1nf7A1 ILE 464 HG23 -0.03 -0.01 -0.10 -0.04 0.93 0.74 1nf7A1 ILE 464 HD13 -0.08 -0.03 -0.19 -0.04 0.88 0.53 1nf7A1 GLN 465 H -0.08 0.50 -0.46 -0.55 8.47 7.88 1nf7A1 GLN 465 HA -0.04 0.02 0.46 -0.75 4.36 4.05 1nf7A1 GLN 465 HB2 -0.20 0.05 0.18 -0.04 2.15 2.14 1nf7A1 GLN 465 HB3 -0.13 0.07 -0.01 -0.04 2.02 1.91 1nf7A1 GLN 465 HG2 -0.05 -0.02 -0.02 -0.04 2.40 2.27 1nf7A1 GLN 465 HG3 -0.08 0.27 0.07 -0.04 2.39 2.61 1nf7A1 GLN 465 HE21 -0.04 -0.02 0.06 -0.04 6.97 6.92 1nf7A1 GLN 465 HE22 -0.04 0.50 0.13 -0.04 7.69 8.25 1nf7A1 HIS 466 H -0.06 0.88 0.16 -0.55 8.41 8.84 1nf7A1 HIS 466 HA -0.02 -0.08 0.48 -0.75 4.63 4.25 1nf7A1 HIS 466 HB2 -0.05 0.11 0.23 -0.04 3.26 3.51 1nf7A1 HIS 466 HB3 -0.04 -0.06 0.04 -0.04 3.20 3.10 1nf7A1 HIS 466 HD2 -0.03 -0.03 0.08 -0.04 6.97 6.95 1nf7A1 HIS 466 HE1 0.01 -0.03 -0.01 -0.04 7.75 7.68 1nf7A1 SER 467 H 0.03 0.67 -0.25 -0.55 8.46 8.36 1nf7A1 SER 467 HA 0.02 0.00 0.39 -0.75 4.49 4.15 1nf7A1 SER 467 HB2 -0.01 0.13 0.11 -0.04 3.95 4.14 1nf7A1 SER 467 HB3 0.00 -0.01 -0.08 -0.04 3.93 3.80 1nf7A1 CYS 468 H 0.01 0.59 -0.03 -0.55 8.50 8.53 1nf7A1 CYS 468 HA 0.04 -0.05 0.38 -0.75 4.58 4.20 1nf7A1 CYS 468 HB2 0.04 0.12 0.17 -0.04 2.97 3.25 1nf7A1 CYS 468 HB3 0.06 0.16 -0.02 -0.04 2.97 3.14 1nf7A1 GLN 469 H 0.05 0.55 -0.30 -0.55 8.47 8.22 1nf7A1 GLN 469 HA 0.13 0.04 0.31 -0.75 4.36 4.08 1nf7A1 GLN 469 HB2 0.01 0.01 0.07 -0.04 2.15 2.20 1nf7A1 GLN 469 HB3 -0.01 0.10 0.20 -0.04 2.02 2.27 1nf7A1 GLN 469 HG2 -0.28 0.02 -0.20 -0.04 2.40 1.89 1nf7A1 GLN 469 HG3 -0.47 0.06 -0.07 -0.04 2.39 1.88 1nf7A1 GLN 469 HE21 -0.10 -0.10 0.08 -0.04 6.97 6.81 1nf7A1 GLN 469 HE22 -0.28 0.36 0.15 -0.04 7.69 7.88 1nf7A1 ASP 470 H -0.00 0.51 -0.00 -0.55 8.40 8.36 1nf7A1 ASP 470 HA -0.06 -0.05 0.25 -0.75 4.63 4.02 1nf7A1 ASP 470 HB2 -0.00 0.13 0.18 -0.04 2.71 2.98 1nf7A1 ASP 470 HB3 -0.02 -0.03 0.00 -0.04 2.70 2.62 1nf7A1 ILE 471 H 0.02 0.33 -0.54 -0.55 8.25 7.51 1nf7A1 ILE 471 HA -0.00 0.06 0.48 -0.75 4.18 3.96 1nf7A1 ILE 471 HB 0.04 0.06 0.16 -0.04 1.89 2.10 1nf7A1 ILE 471 HG12 -0.02 0.07 -0.09 -0.04 1.49 1.40 1nf7A1 ILE 471 HG13 0.01 0.08 -0.05 -0.04 1.21 1.20 1nf7A1 ILE 471 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.70 1nf7A1 ILE 471 HD13 0.02 -0.04 -0.09 -0.04 0.88 0.72 1nf7A1 GLY 472 H 0.10 0.52 0.15 -0.55 8.43 8.66 1nf7A1 GLY 472 HA2 0.15 0.13 0.30 -0.51 4.01 4.08 1nf7A1 GLY 472 HA3 0.12 0.07 0.96 -0.51 4.01 4.65 1nf7A1 ALA 473 H 0.15 0.35 0.22 -0.55 8.40 8.58 1nf7A1 ALA 473 HA 0.03 0.15 0.87 -0.75 4.34 4.63 1nf7A1 ALA 473 HB3 0.03 -0.00 0.04 -0.04 1.41 1.44 1nf7A1 LYS 474 H -0.20 0.16 0.14 -0.55 8.42 7.97 1nf7A1 LYS 474 HA -0.34 0.18 0.59 -0.75 4.32 4.00 1nf7A1 LYS 474 HB2 -0.38 0.07 0.14 -0.04 1.87 1.66 1nf7A1 LYS 474 HB3 -1.02 0.04 -0.01 -0.04 1.79 0.76 1nf7A1 LYS 474 HG2 -0.26 -0.00 0.09 -0.04 1.46 1.25 1nf7A1 LYS 474 HG3 -0.18 -0.03 -0.08 -0.04 1.46 1.13 1nf7A1 LYS 474 HD2 -0.13 -0.01 0.01 -0.04 1.69 1.51 1nf7A1 LYS 474 HD3 -0.19 0.02 0.02 -0.04 1.68 1.49 1nf7A1 LYS 474 HE2 -0.26 0.03 0.01 -0.04 2.99 2.73 1nf7A1 LYS 474 HE3 -0.14 -0.01 0.01 -0.04 2.99 2.81 1nf7A1 SER 475 H -0.06 0.15 -0.20 -0.55 8.46 7.80 1nf7A1 SER 475 HA -0.03 0.33 0.57 -0.75 4.49 4.60 1nf7A1 SER 475 HB2 -0.03 0.05 0.21 -0.04 3.95 4.15 1nf7A1 SER 475 HB3 -0.06 0.18 -0.02 -0.04 3.93 3.99 1nf7A1 LEU 476 H -0.01 0.51 0.22 -0.55 8.37 8.55 1nf7A1 LEU 476 HA 0.02 0.04 0.51 -0.75 4.35 4.16 1nf7A1 LEU 476 HB2 0.01 0.18 0.09 -0.04 1.64 1.88 1nf7A1 LEU 476 HB3 0.02 0.06 0.02 -0.04 1.64 1.70 1nf7A1 LEU 476 HG -0.00 -0.00 0.03 -0.04 1.64 1.63 1nf7A1 LEU 476 HD13 0.00 0.07 -0.02 -0.04 0.93 0.94 1nf7A1 LEU 476 HD23 0.01 -0.03 -0.06 -0.04 0.89 0.77 1nf7A1 THR 477 H 0.01 0.17 -0.07 -0.55 8.28 7.85 1nf7A1 THR 477 HA 0.04 0.13 0.35 -0.75 4.39 4.15 1nf7A1 THR 477 HB 0.00 -0.06 0.01 -0.04 4.32 4.23 1nf7A1 THR 477 HG23 0.02 0.01 -0.07 -0.04 1.22 1.14 1nf7A1 GLN 478 H 0.00 0.06 -0.52 -0.55 8.47 7.47 1nf7A1 GLN 478 HA 0.03 0.09 0.44 -0.75 4.36 4.16 1nf7A1 GLN 478 HB2 -0.02 0.01 0.05 -0.04 2.15 2.15 1nf7A1 GLN 478 HB3 -0.01 0.10 0.14 -0.04 2.02 2.20 1nf7A1 GLN 478 HG2 0.01 0.00 -0.13 -0.04 2.40 2.24 1nf7A1 GLN 478 HG3 0.02 -0.01 -0.10 -0.04 2.39 2.27 1nf7A1 GLN 478 HE21 -0.02 0.04 0.02 -0.04 6.97 6.97 1nf7A1 GLN 478 HE22 -0.00 -0.00 -0.00 -0.04 7.69 7.64 1nf7A1 VAL 479 H 0.03 0.39 -0.03 -0.55 8.24 8.08 1nf7A1 VAL 479 HA 0.04 0.01 0.36 -0.75 4.13 3.78 1nf7A1 VAL 479 HB 0.04 0.15 0.10 -0.04 2.12 2.37 1nf7A1 VAL 479 HG13 0.05 0.01 -0.07 -0.04 0.97 0.92 1nf7A1 VAL 479 HG23 0.03 0.06 0.05 -0.04 0.95 1.05 1nf7A1 ARG 480 H 0.07 0.45 -0.35 -0.55 8.46 8.08 1nf7A1 ARG 480 HA 0.04 0.12 0.47 -0.75 4.34 4.22 1nf7A1 ARG 480 HB2 0.15 0.08 0.06 -0.04 1.90 2.15 1nf7A1 ARG 480 HB3 0.29 -0.04 -0.04 -0.04 1.80 1.97 1nf7A1 ARG 480 HG2 0.07 0.05 -0.02 -0.04 1.67 1.73 1nf7A1 ARG 480 HG3 0.07 0.15 0.01 -0.04 1.67 1.86 1nf7A1 ARG 480 HD2 0.11 -0.06 -0.08 -0.04 3.22 3.16 1nf7A1 ARG 480 HD3 0.15 -0.05 -0.15 -0.04 3.22 3.12 1nf7A1 ALA 481 H 0.11 0.40 -0.08 -0.55 8.40 8.28 1nf7A1 ALA 481 HA 0.19 0.02 0.43 -0.75 4.34 4.23 1nf7A1 ALA 481 HB3 0.07 0.02 0.12 -0.04 1.41 1.57 1nf7A1 MET 482 H 0.08 0.58 -0.36 -0.55 8.47 8.22 1nf7A1 MET 482 HA 0.07 0.04 0.53 -0.75 4.52 4.39 1nf7A1 MET 482 HB2 0.04 0.19 0.14 -0.04 2.15 2.48 1nf7A1 MET 482 HB3 0.03 -0.09 -0.06 -0.04 2.03 1.87 1nf7A1 MET 482 HG2 0.04 -0.04 -0.05 -0.04 2.63 2.54 1nf7A1 MET 482 HG3 0.04 0.10 -0.07 -0.04 2.56 2.60 1nf7A1 MET 482 HE3 0.03 0.02 -0.17 -0.04 2.10 1.94 1nf7A1 MET 483 H 0.06 0.55 0.03 -0.55 8.47 8.57 1nf7A1 MET 483 HA 0.13 0.01 0.53 -0.75 4.52 4.44 1nf7A1 MET 483 HB2 0.33 -0.11 0.12 -0.04 2.15 2.45 1nf7A1 MET 483 HB3 0.11 0.15 0.23 -0.04 2.03 2.48 1nf7A1 MET 483 HG2 -0.12 0.37 0.13 -0.04 2.63 2.97 1nf7A1 MET 483 HG3 -0.34 0.10 0.08 -0.04 2.56 2.36 1nf7A1 MET 483 HE3 -0.46 -0.00 -0.20 -0.04 2.10 1.39 1nf7A1 TYR 484 H 0.15 0.54 -0.20 -0.55 8.29 8.23 1nf7A1 TYR 484 HA 0.14 0.02 0.54 -0.75 4.56 4.50 1nf7A1 TYR 484 HB2 0.06 0.10 0.08 -0.04 3.06 3.26 1nf7A1 TYR 484 HB3 0.06 -0.04 0.02 -0.04 2.98 2.97 1nf7A1 TYR 484 HD2 0.07 0.04 -0.08 -0.04 7.15 7.14 1nf7A1 TYR 484 HE2 -0.02 -0.04 -0.05 -0.04 6.85 6.70 1nf7A1 SER 485 H 0.15 0.23 -0.39 -0.55 8.46 7.91 1nf7A1 SER 485 HA 0.11 0.09 0.64 -0.75 4.49 4.57 1nf7A1 SER 485 HB2 0.07 -0.06 0.11 -0.04 3.95 4.03 1nf7A1 SER 485 HB3 0.09 0.10 0.16 -0.04 3.93 4.23 1nf7A1 GLY 486 H 0.11 0.24 -0.21 -0.55 8.43 8.03 1nf7A1 GLY 486 HA2 0.10 -0.04 0.30 -0.51 4.01 3.86 1nf7A1 GLY 486 HA3 0.07 0.15 0.80 -0.51 4.01 4.52 1nf7A1 GLU 487 H 0.06 0.19 0.01 -0.55 8.60 8.32 1nf7A1 GLU 487 HA 0.02 0.12 0.51 -0.75 4.29 4.19 1nf7A1 GLU 487 HB2 0.03 -0.01 0.02 -0.04 2.09 2.09 1nf7A1 GLU 487 HB3 0.04 -0.03 0.13 -0.04 1.99 2.09 1nf7A1 GLU 487 HG2 0.01 0.01 -0.32 -0.04 2.34 2.01 1nf7A1 GLU 487 HG3 0.02 0.02 0.01 -0.04 2.34 2.35 1nf7A1 LEU 488 H 0.03 0.20 -0.20 -0.55 8.37 7.85 1nf7A1 LEU 488 HA -0.10 0.11 0.45 -0.75 4.35 4.06 1nf7A1 LEU 488 HB2 -0.01 -0.11 -0.20 -0.04 1.64 1.27 1nf7A1 LEU 488 HB3 -0.02 -0.08 -0.04 -0.04 1.64 1.46 1nf7A1 LEU 488 HG -0.54 0.05 -0.17 -0.04 1.64 0.93 1nf7A1 LEU 488 HD13 -0.09 0.00 -0.01 -0.04 0.93 0.78 1nf7A1 LEU 488 HD23 0.05 0.00 0.02 -0.04 0.89 0.92 1nf7A1 LYS 489 H -0.22 0.21 0.18 -0.55 8.42 8.04 1nf7A1 LYS 489 HA -0.11 0.34 0.97 -0.75 4.32 4.76 1nf7A1 LYS 489 HB2 -0.09 -0.04 0.10 -0.04 1.87 1.80 1nf7A1 LYS 489 HB3 -0.04 -0.15 0.11 -0.04 1.79 1.67 1nf7A1 LYS 489 HG2 -0.05 0.16 -0.10 -0.04 1.46 1.43 1nf7A1 LYS 489 HG3 -0.03 0.07 0.02 -0.04 1.46 1.48 1nf7A1 LYS 489 HD2 0.01 -0.12 -0.26 -0.04 1.69 1.28 1nf7A1 LYS 489 HD3 0.00 0.08 -0.48 -0.04 1.68 1.25 1nf7A1 LYS 489 HE2 0.00 0.10 -0.09 -0.04 2.99 2.96 1nf7A1 LYS 489 HE3 -0.00 -0.03 -0.09 -0.04 2.99 2.82 1nf7A1 PHE 490 H 0.14 0.56 0.32 -0.55 8.34 8.80 1nf7A1 PHE 490 HA 0.10 0.27 0.96 -0.75 4.62 5.20 1nf7A1 PHE 490 HB2 -0.06 -0.09 -0.21 -0.04 3.15 2.75 1nf7A1 PHE 490 HB3 0.09 -0.04 0.04 -0.04 3.06 3.11 1nf7A1 PHE 490 HD2 0.16 0.11 -0.17 -0.04 7.28 7.35 1nf7A1 PHE 490 HE2 0.10 -0.02 -0.10 -0.04 7.38 7.31 1nf7A1 PHE 490 HZ 0.03 0.08 -0.09 -0.04 7.32 7.29 1nf7A1 GLU 491 H 0.28 0.29 0.16 -0.55 8.60 8.78 1nf7A1 GLU 491 HA 0.07 0.04 0.63 -0.75 4.29 4.27 1nf7A1 GLU 491 HB2 0.07 -0.03 -0.25 -0.04 2.09 1.84 1nf7A1 GLU 491 HB3 0.07 0.09 -0.06 -0.04 1.99 2.05 1nf7A1 GLU 491 HG2 0.03 -0.06 0.14 -0.04 2.34 2.41 1nf7A1 GLU 491 HG3 0.04 0.03 0.07 -0.04 2.34 2.43 1nf7A1 LYS 492 H 0.03 0.08 0.12 -0.55 8.42 8.10 1nf7A1 LYS 492 HA 0.10 0.22 0.61 -0.75 4.32 4.51 1nf7A1 LYS 492 HB2 0.01 -0.05 0.08 -0.04 1.87 1.86 1nf7A1 LYS 492 HB3 0.02 0.02 0.06 -0.04 1.79 1.85 1nf7A1 LYS 492 HG2 -0.06 0.06 0.04 -0.04 1.46 1.46 1nf7A1 LYS 492 HG3 -0.05 -0.05 0.05 -0.04 1.46 1.37 1nf7A1 LYS 492 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.62 1nf7A1 LYS 492 HD3 -0.09 0.04 0.02 -0.04 1.68 1.61 1nf7A1 LYS 492 HE2 -0.04 0.00 0.02 -0.04 2.99 2.94 1nf7A1 LYS 492 HE3 -0.02 -0.03 0.00 -0.04 2.99 2.91 1nf7A1 ARG 493 H 0.08 0.60 0.24 -0.55 8.46 8.83 1nf7A1 ARG 493 HA 0.04 0.10 0.88 -0.75 4.34 4.60 1nf7A1 ARG 493 HB2 0.06 0.02 -0.24 -0.04 1.90 1.70 1nf7A1 ARG 493 HB3 0.04 -0.01 -0.20 -0.04 1.80 1.59 1nf7A1 ARG 493 HG2 0.03 -0.03 -0.16 -0.04 1.67 1.47 1nf7A1 ARG 493 HG3 0.06 0.06 -0.46 -0.04 1.67 1.28 1nf7A1 ARG 493 HD2 0.02 -0.02 -0.28 -0.04 3.22 2.90 1nf7A1 ARG 493 HD3 0.01 0.05 -0.37 -0.04 3.22 2.87 1nf7A1 THR 494 H 0.02 0.13 0.08 -0.55 8.28 7.96 1nf7A1 THR 494 HA 0.02 0.18 0.51 -0.75 4.39 4.34 1nf7A1 THR 494 HB 0.01 -0.04 0.17 -0.04 4.32 4.42 1nf7A1 THR 494 HG23 0.01 0.05 0.02 -0.04 1.22 1.26 1nf7A1 SER 495 H 0.01 0.20 0.18 -0.55 8.46 8.31 1nf7A1 SER 495 HA 0.02 0.15 0.40 -0.75 4.49 4.30 1nf7A1 SER 495 HB2 0.01 -0.03 0.13 -0.04 3.95 4.01 1nf7A1 SER 495 HB3 0.01 0.06 0.04 -0.04 3.93 3.99 1nf7A1 SER 496 H 0.00 0.08 -0.19 -0.55 8.46 7.81 1nf7A1 SER 496 HA -0.02 0.12 0.45 -0.75 4.49 4.29 1nf7A1 SER 496 HB2 -0.01 -0.02 0.02 -0.04 3.95 3.89 1nf7A1 SER 496 HB3 -0.03 0.08 0.01 -0.04 3.93 3.95 1nf7A1 ALA 497 H 0.00 -0.00 -0.39 -0.55 8.40 7.46 1nf7A1 ALA 497 HA -0.00 0.09 0.37 -0.75 4.34 4.04 1nf7A1 ALA 497 HB3 0.01 0.05 0.06 -0.04 1.41 1.49 1nf7A1 GLN 498 H 0.02 0.40 -0.33 -0.55 8.47 8.01 1nf7A1 GLN 498 HA 0.03 0.10 0.46 -0.75 4.36 4.19 1nf7A1 GLN 498 HB2 0.03 0.05 0.13 -0.04 2.15 2.32 1nf7A1 GLN 498 HB3 0.04 -0.07 -0.02 -0.04 2.02 1.93 1nf7A1 GLN 498 HG2 0.04 0.17 0.06 -0.04 2.40 2.62 1nf7A1 GLN 498 HG3 0.03 0.05 -0.16 -0.04 2.39 2.27 1nf7A1 GLN 498 HE21 0.04 -0.13 -0.08 -0.04 6.97 6.75 1nf7A1 GLN 498 HE22 0.04 0.26 -0.16 -0.04 7.69 7.79 1nf7A1 VAL 499 H 0.01 0.48 -0.09 -0.55 8.24 8.08 1nf7A1 VAL 499 HA 0.03 0.01 0.39 -0.75 4.13 3.82 1nf7A1 VAL 499 HB -0.02 0.04 0.17 -0.04 2.12 2.27 1nf7A1 VAL 499 HG13 -0.02 -0.00 -0.14 -0.04 0.97 0.77 1nf7A1 VAL 499 HG23 0.01 0.07 0.05 -0.04 0.95 1.03 1nf7A1 GLU 500 H -0.02 0.56 -0.18 -0.55 8.60 8.41 1nf7A1 GLU 500 HA -0.12 0.02 0.38 -0.75 4.29 3.81 1nf7A1 GLU 500 HB2 -0.14 -0.09 0.05 -0.04 2.09 1.87 1nf7A1 GLU 500 HB3 -0.02 0.03 0.09 -0.04 1.99 2.05 1nf7A1 GLU 500 HG2 0.06 0.08 -0.33 -0.04 2.34 2.11 1nf7A1 GLU 500 HG3 0.04 -0.04 -0.00 -0.04 2.34 2.30 1nf7A1 GLY 501 H 0.04 0.12 -0.66 -0.55 8.43 7.38 1nf7A1 GLY 501 HA2 0.03 -0.04 0.36 -0.51 4.01 3.86 1nf7A1 GLY 501 HA3 0.03 -0.03 0.29 -0.51 4.01 3.78 1nf7A1 GLY 502 H 0.06 0.28 -0.36 -0.55 8.43 7.86 1nf7A1 GLY 502 HA2 -0.01 0.06 0.70 -0.51 4.01 4.26 1nf7A1 GLY 502 HA3 0.02 -0.08 0.31 -0.51 4.01 3.75 1nf7A1 VAL 503 H -0.06 0.00 0.11 -0.55 8.24 7.75 1nf7A1 VAL 503 HA -0.28 0.10 0.50 -0.75 4.13 3.70 1nf7A1 VAL 503 HB -0.32 -0.05 0.09 -0.04 2.12 1.80 1nf7A1 VAL 503 HG13 -0.95 -0.00 -0.13 -0.04 0.97 -0.16 1nf7A1 VAL 503 HG23 -0.34 -0.00 0.02 -0.04 0.95 0.59 1nf7A1 HIS 504 H -0.46 0.30 0.24 -0.55 8.41 7.94 1nf7A1 HIS 504 HA -0.03 0.06 0.59 -0.75 4.63 4.50 1nf7A1 HIS 504 HB2 -0.01 -0.15 0.06 -0.04 3.26 3.12 1nf7A1 HIS 504 HB3 -0.02 0.22 -0.21 -0.04 3.20 3.15 1nf7A1 HIS 504 HD2 -0.03 0.39 0.02 -0.04 6.97 7.30 1nf7A1 HIS 504 HE1 -0.02 -0.05 -0.05 -0.04 7.75 7.59 1nf7A1 SER 505 H 0.13 0.15 0.11 -0.55 8.46 8.31 1nf7A1 SER 505 HA 0.08 0.02 0.29 -0.75 4.49 4.12 1nf7A1 SER 505 HB2 0.13 0.19 -0.07 -0.04 3.95 4.16 1nf7A1 SER 505 HB3 0.08 -0.02 0.20 -0.04 3.93 4.15 1nf7A1 LEU 506 H 0.02 0.07 -0.40 -0.55 8.37 7.51 1nf7A1 LEU 506 HA 0.04 0.21 0.99 -0.75 4.35 4.84 1nf7A1 LEU 506 HB2 0.02 -0.04 -0.12 -0.04 1.64 1.45 1nf7A1 LEU 506 HB3 0.09 0.04 -0.03 -0.04 1.64 1.70 1nf7A1 LEU 506 HG -0.16 0.14 -0.15 -0.04 1.64 1.43 1nf7A1 LEU 506 HD13 -0.23 0.01 -0.04 -0.04 0.93 0.62 1nf7A1 LEU 506 HD23 -0.04 0.03 -0.02 -0.04 0.89 0.83 1nf7A1 HIS 507 H 0.16 0.17 0.15 -0.55 8.41 8.35 1nf7A1 HIS 507 HA 0.04 0.09 0.47 -0.75 4.63 4.48 1nf7A1 HIS 507 HB2 0.02 0.01 0.10 -0.04 3.26 3.36 1nf7A1 HIS 507 HB3 0.03 0.00 0.10 -0.04 3.20 3.29 1nf7A1 HIS 507 HD2 0.02 -0.00 0.02 -0.04 6.97 6.96 1nf7A1 HIS 507 HE1 0.01 -0.01 -0.01 -0.04 7.75 7.69 1nf7A1 SER 508 H 0.18 0.22 -0.06 -0.55 8.46 8.25 1nf7A1 SER 508 HA 0.10 0.10 0.33 -0.75 4.49 4.27 1nf7A1 SER 508 HB2 0.07 -0.03 0.06 -0.04 3.95 4.01 1nf7A1 SER 508 HB3 0.17 0.21 0.03 -0.04 3.93 4.30 1nf7A1 TYR 509 H -0.06 0.31 0.15 -0.55 8.29 8.14 1nf7A1 TYR 509 HA 0.01 0.04 0.43 -0.75 4.56 4.28 1nf7A1 TYR 509 HB2 -0.01 0.04 0.15 -0.04 3.06 3.20 1nf7A1 TYR 509 HB3 0.00 0.13 -0.25 -0.04 2.98 2.83 1nf7A1 TYR 509 HD2 -0.00 0.12 -0.29 -0.04 7.15 6.94 1nf7A1 TYR 509 HE2 0.00 -0.00 -0.14 -0.04 6.85 6.67 1nf7A1 GLU 510 H 0.12 0.17 0.17 -0.55 8.60 8.51 1nf7A1 GLU 510 HA -0.14 0.21 0.90 -0.75 4.29 4.51 1nf7A1 GLU 510 HB2 0.01 -0.01 0.05 -0.04 2.09 2.09 1nf7A1 GLU 510 HB3 -0.01 0.00 0.02 -0.04 1.99 1.96 1nf7A1 GLU 510 HG2 -0.05 0.02 0.10 -0.04 2.34 2.36 1nf7A1 GLU 510 HG3 -0.05 0.01 -0.10 -0.04 2.34 2.16 1nf7A1 LYS 511 H -0.01 0.22 0.13 -0.55 8.42 8.21 1nf7A1 LYS 511 HA 0.07 0.17 0.82 -0.75 4.32 4.63 1nf7A1 LYS 511 HB2 0.20 0.09 -0.26 -0.04 1.87 1.86 1nf7A1 LYS 511 HB3 0.06 -0.04 0.02 -0.04 1.79 1.79 1nf7A1 LYS 511 HG2 0.05 -0.06 -0.36 -0.04 1.46 1.06 1nf7A1 LYS 511 HG3 0.08 0.08 -0.01 -0.04 1.46 1.56 1nf7A1 LYS 511 HD2 0.08 -0.05 -0.07 -0.04 1.69 1.61 1nf7A1 LYS 511 HD3 0.08 -0.02 -0.08 -0.04 1.68 1.62 1nf7A1 LYS 511 HE2 0.12 0.05 -0.03 -0.04 2.99 3.08 1nf7A1 LYS 511 HE3 0.26 0.01 -0.08 -0.04 2.99 3.14 1nf7A1 ARG 512 H 0.01 0.34 0.13 -0.55 8.46 8.39 1nf7A1 ARG 512 HA -0.06 0.07 0.79 -0.75 4.34 4.38 1nf7A1 ARG 512 HB2 -0.05 0.01 0.06 -0.04 1.90 1.88 1nf7A1 ARG 512 HB3 -0.12 0.08 -0.02 -0.04 1.80 1.69 1nf7A1 ARG 512 HG2 -0.09 0.02 0.05 -0.04 1.67 1.61 1nf7A1 ARG 512 HG3 -0.04 -0.05 -0.26 -0.04 1.67 1.28 1nf7A1 ARG 512 HD2 -0.11 0.04 -0.02 -0.04 3.22 3.08 1nf7A1 ARG 512 HD3 -0.07 0.01 -0.02 -0.04 3.22 3.09 1nf7A1 LEU 513 H -0.08 0.08 0.11 -0.55 8.37 7.93 1nf7A1 LEU 513 HA 0.00 0.26 0.85 -0.75 4.35 4.71 1nf7A1 LEU 513 HB2 0.05 -0.05 0.10 -0.04 1.64 1.71 1nf7A1 LEU 513 HB3 0.03 0.00 -0.00 -0.04 1.64 1.63 1nf7A1 LEU 513 HG 0.06 -0.01 -0.26 -0.04 1.64 1.40 1nf7A1 LEU 513 HD13 0.14 0.00 -0.03 -0.04 0.93 1.00 1nf7A1 LEU 513 HD23 0.17 0.01 0.00 -0.04 0.89 1.03 1nf7A1 PHE 514 H -0.44 0.07 -0.01 -0.55 8.34 7.41 1nf7A1 PHE 514 HA -0.25 0.34 0.73 -0.75 4.62 4.69 1nf7A1 PHE 514 HB2 -0.26 0.09 0.07 -0.04 3.15 3.00 1nf7A1 PHE 514 HB3 -1.84 0.02 -0.16 -0.04 3.06 1.03 1nf7A1 PHE 514 HD2 -0.30 0.01 -0.00 -0.04 7.28 6.95 1nf7A1 PHE 514 HE2 0.08 -0.03 0.01 -0.04 7.38 7.40 1nf7A1 PHE 514 HZ 0.09 -0.15 0.03 -0.04 7.32 7.25