============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 7 0.900 8.388 -6.657 9.040 -99.200 -91.000 PHE 25 1.000 12.494 0.831 13.950 -99.200 -91.000 TYR 28 0.840 15.813 11.263 9.932 -99.200 -91.000 TRP 41 1.040 24.122 1.625 -8.431 -99.200 -91.000 TRP6 41 1.020 22.160 0.712 -7.459 -99.200 -91.000 TYR 53 0.840 21.544 9.251 13.747 -99.200 -91.000 HIS 57 0.900 23.326 15.607 15.405 -99.200 -91.000 PHE 77 1.000 8.324 4.672 8.691 -99.200 -91.000 TYR 85 0.840 12.697 6.905 1.307 -99.200 -91.000 PHE 103 1.000 17.764 -0.255 8.672 -99.200 -91.000 TRP 117 1.040 11.546 -2.240 -11.404 -99.200 -91.000 TRP6 117 1.020 13.586 -1.336 -10.656 -99.200 -91.000 HIS 122 0.900 7.832 -6.492 3.946 -99.200 -91.000 TYR 124 0.840 12.533 -8.652 7.666 -99.200 -91.000 HIS 127 0.900 14.569 -4.626 19.423 -99.200 -91.000 PHE 147 1.000 13.512 1.012 55.109 -99.200 -91.000 TYR 155 0.840 15.115 2.764 48.491 -99.200 -91.000 PHE 170 1.000 25.967 -1.800 26.440 -99.200 -91.000 PHE 173 1.000 23.894 0.064 31.192 -99.200 -91.000 TYR 210 0.840 18.986 14.930 37.558 -99.200 -91.000 HIS 233 0.900 33.114 -5.565 32.384 -99.200 -91.000 PHE 242 1.000 19.598 5.372 46.274 -99.200 -91.000 TRP 260 1.040 12.389 4.705 35.952 -99.200 -91.000 TRP6 260 1.020 10.665 4.327 34.378 -99.200 -91.000 TRP 270 1.040 15.781 10.264 31.248 -99.200 -91.000 TRP6 270 1.020 16.307 8.146 32.151 -99.200 -91.000 PHE 292 1.000 7.476 4.319 56.414 -99.200 -91.000 PHE 301 1.000 -5.089 11.869 82.456 -99.200 -91.000 PHE 314 1.000 0.524 6.454 77.204 -99.200 -91.000 HIS 317 0.900 9.522 -0.281 75.390 -99.200 -91.000 PHE 340 1.000 6.462 8.771 70.602 -99.200 -91.000 HIS 354 0.900 10.383 -0.059 57.048 -99.200 -91.000 TYR 367 0.840 5.135 -6.787 54.736 -99.200 -91.000 TRP 371 1.040 9.023 -3.113 63.333 -99.200 -91.000 TRP6 371 1.020 10.221 -2.045 65.042 -99.200 -91.000 PHE 378 1.000 5.241 -1.832 66.036 -99.200 -91.000 TYR 389 0.840 -6.058 10.749 87.174 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hr6A1 ARG 54 HA -0.01 0.12 0.24 -0.75 4.34 3.94 3hr6A1 ARG 54 HB2 -0.01 -0.06 -0.01 -0.04 1.90 1.79 3hr6A1 ARG 54 HB3 -0.01 -0.06 -0.10 -0.04 1.80 1.59 3hr6A1 ARG 54 HG2 -0.01 0.03 -0.03 -0.04 1.67 1.62 3hr6A1 ARG 54 HG3 -0.01 -0.03 0.00 -0.04 1.67 1.58 3hr6A1 ARG 54 HD2 -0.00 -0.02 -0.04 -0.04 3.22 3.11 3hr6A1 ARG 54 HD3 -0.00 -0.04 -0.05 -0.04 3.22 3.09 3hr6A1 THR 55 H -0.00 0.59 0.22 -0.55 8.28 8.54 3hr6A1 THR 55 HA 0.00 0.00 0.69 -0.75 4.39 4.33 3hr6A1 THR 55 HB 0.01 0.00 -0.16 -0.04 4.32 4.13 3hr6A1 THR 55 HG23 0.02 -0.02 -0.37 -0.04 1.22 0.81 3hr6A1 SER 56 H -0.03 0.72 0.46 -0.55 8.46 9.07 3hr6A1 SER 56 HA -0.08 0.24 0.63 -0.75 4.49 4.53 3hr6A1 SER 56 HB2 -0.07 0.09 -0.06 -0.04 3.95 3.86 3hr6A1 SER 56 HB3 -0.04 -0.10 -0.04 -0.04 3.93 3.70 3hr6A1 ILE 57 H -0.08 0.57 0.23 -0.55 8.25 8.42 3hr6A1 ILE 57 HA -0.13 0.22 0.78 -0.75 4.18 4.29 3hr6A1 ILE 57 HB -0.14 -0.04 0.07 -0.04 1.89 1.74 3hr6A1 ILE 57 HG12 -0.08 0.05 -0.15 -0.04 1.49 1.27 3hr6A1 ILE 57 HG13 -0.17 -0.06 -0.49 -0.04 1.21 0.45 3hr6A1 ILE 57 HG23 -0.09 -0.01 -0.30 -0.04 0.93 0.50 3hr6A1 ILE 57 HD13 -0.37 0.01 -0.18 -0.04 0.88 0.29 3hr6A1 ALA 58 H -0.29 0.87 0.22 -0.55 8.40 8.65 3hr6A1 ALA 58 HA -0.25 0.08 0.82 -0.75 4.34 4.24 3hr6A1 ALA 58 HB3 -0.44 -0.00 0.03 -0.04 1.41 0.96 3hr6A1 VAL 59 H -0.26 0.80 0.25 -0.55 8.24 8.47 3hr6A1 VAL 59 HA -0.29 0.15 0.83 -0.75 4.13 4.07 3hr6A1 VAL 59 HB -0.41 -0.05 0.13 -0.04 2.12 1.74 3hr6A1 VAL 59 HG13 -0.97 -0.01 -0.28 -0.04 0.97 -0.33 3hr6A1 VAL 59 HG23 -0.10 0.01 -0.14 -0.04 0.95 0.68 3hr6A1 HIS 60 H -0.28 0.80 0.36 -0.55 8.41 8.74 3hr6A1 HIS 60 HA -0.04 0.23 0.99 -0.75 4.63 5.06 3hr6A1 HIS 60 HB2 -0.24 0.00 0.18 -0.04 3.26 3.16 3hr6A1 HIS 60 HB3 0.06 0.02 0.00 -0.04 3.20 3.24 3hr6A1 HIS 60 HD2 -0.87 0.03 -0.03 -0.04 6.97 6.05 3hr6A1 HIS 60 HE1 0.09 -0.03 -0.15 -0.04 7.75 7.62 3hr6A1 ALA 61 H 0.16 0.17 0.09 -0.55 8.40 8.28 3hr6A1 ALA 61 HA 0.31 0.22 0.48 -0.75 4.34 4.59 3hr6A1 ALA 61 HB3 0.43 0.00 0.02 -0.04 1.41 1.82 3hr6A1 LEU 62 H 0.18 0.74 0.28 -0.55 8.37 9.02 3hr6A1 LEU 62 HA 0.08 0.31 0.73 -0.75 4.35 4.72 3hr6A1 LEU 62 HB2 0.08 0.13 -0.07 -0.04 1.64 1.73 3hr6A1 LEU 62 HB3 0.00 -0.06 -0.23 -0.04 1.64 1.31 3hr6A1 LEU 62 HG 0.07 0.12 -0.33 -0.04 1.64 1.46 3hr6A1 LEU 62 HD13 0.23 0.05 -0.42 -0.04 0.93 0.75 3hr6A1 LEU 62 HD23 0.08 -0.00 -0.09 -0.04 0.89 0.83 3hr6A1 MET 63 H -0.06 0.64 0.19 -0.55 8.47 8.70 3hr6A1 MET 63 HA -0.64 0.00 0.89 -0.75 4.52 4.01 3hr6A1 MET 63 HB2 -0.05 0.00 -0.02 -0.04 2.15 2.04 3hr6A1 MET 63 HB3 -0.03 0.03 0.16 -0.04 2.03 2.15 3hr6A1 MET 63 HG2 -0.04 -0.01 -0.19 -0.04 2.63 2.35 3hr6A1 MET 63 HG3 -0.07 0.00 0.01 -0.04 2.56 2.46 3hr6A1 MET 63 HE3 0.04 0.01 -0.00 -0.04 2.10 2.10 3hr6A1 GLY 64 H -0.16 0.76 0.37 -0.55 8.43 8.86 3hr6A1 GLY 64 HA2 -0.04 -0.02 0.32 -0.51 4.01 3.76 3hr6A1 GLY 64 HA3 -0.05 0.12 0.59 -0.51 4.01 4.17 3hr6A1 LEU 65 H -0.02 0.15 0.12 -0.55 8.37 8.07 3hr6A1 LEU 65 HA -0.03 0.16 0.73 -0.75 4.35 4.46 3hr6A1 LEU 65 HB2 -0.02 -0.03 0.10 -0.04 1.64 1.65 3hr6A1 LEU 65 HB3 -0.02 0.07 -0.02 -0.04 1.64 1.64 3hr6A1 LEU 65 HG -0.01 -0.08 -0.19 -0.04 1.64 1.32 3hr6A1 LEU 65 HD13 -0.00 -0.00 -0.08 -0.04 0.93 0.81 3hr6A1 LEU 65 HD23 -0.02 0.06 -0.39 -0.04 0.89 0.50 3hr6A1 PRO 66 HA -0.03 0.07 0.51 -0.51 4.44 4.49 3hr6A1 PRO 66 HB2 -0.02 -0.00 -0.06 -0.04 2.28 2.16 3hr6A1 PRO 66 HB3 -0.03 0.03 0.12 -0.04 2.02 2.11 3hr6A1 PRO 66 HG2 -0.02 0.01 0.10 -0.04 2.03 2.08 3hr6A1 PRO 66 HG3 -0.02 0.07 0.11 -0.04 2.03 2.15 3hr6A1 PRO 66 HD2 -0.02 -0.03 0.26 -0.04 3.68 3.84 3hr6A1 PRO 66 HD3 -0.02 0.31 0.20 -0.04 3.65 4.10 3hr6A1 THR 67 H -0.03 0.10 0.21 -0.55 8.28 8.02 3hr6A1 THR 67 HA -0.02 0.16 0.72 -0.75 4.39 4.50 3hr6A1 THR 67 HB -0.02 -0.02 0.19 -0.04 4.32 4.42 3hr6A1 THR 67 HG23 -0.02 0.06 -0.18 -0.04 1.22 1.04 3hr6A1 GLY 68 H -0.02 0.03 -0.01 -0.55 8.43 7.89 3hr6A1 GLY 68 HA2 -0.02 0.06 0.14 -0.51 4.01 3.69 3hr6A1 GLY 68 HA3 -0.01 0.25 0.64 -0.51 4.01 4.39 3hr6A1 GLY 80 HA2 -0.07 -0.02 0.11 -0.51 4.01 3.53 3hr6A1 GLY 80 HA3 -0.05 -0.07 0.16 -0.51 4.01 3.55 3hr6A1 LEU 81 H -0.04 0.12 0.05 -0.55 8.37 7.96 3hr6A1 LEU 81 HA -0.02 0.05 0.44 -0.75 4.35 4.07 3hr6A1 LEU 81 HB2 -0.01 -0.06 -0.04 -0.04 1.64 1.49 3hr6A1 LEU 81 HB3 -0.02 0.18 -0.02 -0.04 1.64 1.74 3hr6A1 LEU 81 HG -0.03 -0.01 0.03 -0.04 1.64 1.58 3hr6A1 LEU 81 HD13 -0.03 -0.00 -0.25 -0.04 0.93 0.61 3hr6A1 LEU 81 HD23 -0.02 0.03 0.08 -0.04 0.89 0.93 3hr6A1 PRO 82 HA 0.02 0.03 0.49 -0.51 4.44 4.48 3hr6A1 PRO 82 HB2 0.04 0.05 0.00 -0.04 2.28 2.33 3hr6A1 PRO 82 HB3 0.02 0.00 0.15 -0.04 2.02 2.15 3hr6A1 PRO 82 HG2 -0.00 -0.03 0.24 -0.04 2.03 2.20 3hr6A1 PRO 82 HG3 0.01 0.00 0.14 -0.04 2.03 2.14 3hr6A1 PRO 82 HD2 -0.01 0.18 0.33 -0.04 3.68 4.14 3hr6A1 PRO 82 HD3 -0.00 0.11 0.23 -0.04 3.65 3.95 3hr6A1 LYS 83 H 0.06 0.07 0.18 -0.55 8.42 8.18 3hr6A1 LYS 83 HA 0.13 0.30 0.69 -0.75 4.32 4.68 3hr6A1 LYS 83 HB2 0.09 -0.10 0.06 -0.04 1.87 1.88 3hr6A1 LYS 83 HB3 0.14 0.00 0.10 -0.04 1.79 1.99 3hr6A1 LYS 83 HG2 0.15 0.04 -0.12 -0.04 1.46 1.48 3hr6A1 LYS 83 HG3 0.07 0.04 -0.01 -0.04 1.46 1.51 3hr6A1 LYS 83 HD2 0.07 -0.07 -0.01 -0.04 1.69 1.64 3hr6A1 LYS 83 HD3 0.20 0.18 0.04 -0.04 1.68 2.06 3hr6A1 LYS 83 HE2 -0.14 0.01 -0.06 -0.04 2.99 2.75 3hr6A1 LYS 83 HE3 -0.02 0.02 -0.05 -0.04 2.99 2.89 3hr6A1 VAL 84 H 0.18 0.49 0.27 -0.55 8.24 8.63 3hr6A1 VAL 84 HA 0.11 0.12 0.89 -0.75 4.13 4.50 3hr6A1 VAL 84 HB 0.31 -0.01 -0.02 -0.04 2.12 2.37 3hr6A1 VAL 84 HG13 0.12 0.03 -0.12 -0.04 0.97 0.95 3hr6A1 VAL 84 HG23 0.23 0.02 -0.26 -0.04 0.95 0.91 3hr6A1 ASP 85 H 0.08 0.17 0.11 -0.55 8.40 8.20 3hr6A1 ASP 85 HA 0.07 0.07 0.75 -0.75 4.63 4.77 3hr6A1 ASP 85 HB2 0.05 0.06 0.10 -0.04 2.71 2.87 3hr6A1 ASP 85 HB3 0.04 0.11 0.10 -0.04 2.70 2.91 3hr6A1 GLY 86 H 0.05 0.72 0.25 -0.55 8.43 8.90 3hr6A1 GLY 86 HA2 0.03 0.08 0.36 -0.51 4.01 3.97 3hr6A1 GLY 86 HA3 0.03 0.07 0.41 -0.51 4.01 4.00 3hr6A1 MET 87 H 0.08 0.09 -0.24 -0.55 8.47 7.85 3hr6A1 MET 87 HA -0.10 0.14 0.73 -0.75 4.52 4.54 3hr6A1 MET 87 HB2 0.24 -0.04 0.02 -0.04 2.15 2.33 3hr6A1 MET 87 HB3 -0.11 0.05 -0.07 -0.04 2.03 1.86 3hr6A1 MET 87 HG2 0.01 0.03 -0.39 -0.04 2.63 2.24 3hr6A1 MET 87 HG3 0.02 0.03 -0.15 -0.04 2.56 2.41 3hr6A1 MET 87 HE3 -0.07 0.06 -0.19 -0.04 2.10 1.86 3hr6A1 SER 88 H -0.23 0.22 0.17 -0.55 8.46 8.08 3hr6A1 SER 88 HA 0.02 0.21 0.49 -0.75 4.49 4.45 3hr6A1 SER 88 HB2 -0.03 0.14 -0.27 -0.04 3.95 3.75 3hr6A1 SER 88 HB3 -0.10 -0.08 -0.10 -0.04 3.93 3.61 3hr6A1 PHE 89 H 0.24 0.72 0.38 -0.55 8.34 9.12 3hr6A1 PHE 89 HA 0.05 0.28 1.06 -0.75 4.62 5.26 3hr6A1 PHE 89 HB2 0.22 0.00 0.01 -0.04 3.15 3.35 3hr6A1 PHE 89 HB3 0.08 0.00 -0.20 -0.04 3.06 2.91 3hr6A1 PHE 89 HD2 0.06 0.05 -0.32 -0.04 7.28 7.03 3hr6A1 PHE 89 HE2 0.12 -0.01 -0.20 -0.04 7.38 7.25 3hr6A1 PHE 89 HZ 0.13 0.02 -0.20 -0.04 7.32 7.23 3hr6A1 THR 90 H 0.09 0.78 0.32 -0.55 8.28 8.92 3hr6A1 THR 90 HA -0.03 0.16 1.16 -0.75 4.39 4.93 3hr6A1 THR 90 HB 0.00 0.02 0.11 -0.04 4.32 4.41 3hr6A1 THR 90 HG23 -0.58 0.01 -0.13 -0.04 1.22 0.48 3hr6A1 LEU 91 H -0.42 0.54 0.31 -0.55 8.37 8.26 3hr6A1 LEU 91 HA -0.36 0.25 1.00 -0.75 4.35 4.47 3hr6A1 LEU 91 HB2 -1.77 -0.01 0.02 -0.04 1.64 -0.16 3hr6A1 LEU 91 HB3 -0.71 -0.11 0.16 -0.04 1.64 0.94 3hr6A1 LEU 91 HG -0.20 0.05 -0.20 -0.04 1.64 1.25 3hr6A1 LEU 91 HD13 -0.45 0.02 -0.11 -0.04 0.93 0.36 3hr6A1 LEU 91 HD23 -0.61 -0.01 -0.10 -0.04 0.89 0.13 3hr6A1 TYR 92 H 0.04 0.83 0.36 -0.55 8.29 8.98 3hr6A1 TYR 92 HA -0.01 0.12 0.90 -0.75 4.56 4.81 3hr6A1 TYR 92 HB2 -0.05 -0.02 0.01 -0.04 3.06 2.97 3hr6A1 TYR 92 HB3 -0.02 0.04 -0.19 -0.04 2.98 2.77 3hr6A1 TYR 92 HD2 -0.03 0.03 -0.34 -0.04 7.15 6.78 3hr6A1 TYR 92 HE2 0.03 0.00 -0.10 -0.04 6.85 6.75 3hr6A1 ARG 93 H 0.10 0.79 0.28 -0.55 8.46 9.07 3hr6A1 ARG 93 HA -0.31 0.17 0.90 -0.75 4.34 4.34 3hr6A1 ARG 93 HB2 -0.05 -0.01 0.05 -0.04 1.90 1.85 3hr6A1 ARG 93 HB3 -0.03 -0.03 0.13 -0.04 1.80 1.82 3hr6A1 ARG 93 HG2 -0.16 -0.00 -0.32 -0.04 1.67 1.15 3hr6A1 ARG 93 HG3 -0.46 0.09 0.06 -0.04 1.67 1.32 3hr6A1 ARG 93 HD2 -0.07 -0.05 -0.05 -0.04 3.22 3.01 3hr6A1 ARG 93 HD3 -0.14 0.01 -0.02 -0.04 3.22 3.02 3hr6A1 VAL 94 H -0.23 0.80 0.31 -0.55 8.24 8.57 3hr6A1 VAL 94 HA -0.06 0.09 0.77 -0.75 4.13 4.18 3hr6A1 VAL 94 HB -0.11 -0.06 0.10 -0.04 2.12 2.00 3hr6A1 VAL 94 HG13 -0.06 0.03 -0.16 -0.04 0.97 0.74 3hr6A1 VAL 94 HG23 -0.07 -0.01 -0.27 -0.04 0.95 0.55 3hr6A1 ASN 95 H -0.04 0.60 0.34 -0.55 8.53 8.88 3hr6A1 ASN 95 HA -0.05 -0.06 0.33 -0.75 4.76 4.23 3hr6A1 ASN 95 HB2 -0.03 0.12 0.06 -0.04 2.88 2.99 3hr6A1 ASN 95 HB3 -0.02 -0.07 -0.02 -0.04 2.79 2.63 3hr6A1 ASN 95 HD21 -0.00 0.01 -0.33 -0.04 7.03 6.67 3hr6A1 ASN 95 HD22 -0.01 0.09 -0.09 -0.04 7.74 7.69 3hr6A1 GLU 96 H -0.04 0.10 0.16 -0.55 8.60 8.28 3hr6A1 GLU 96 HA -0.02 -0.03 0.30 -0.75 4.29 3.78 3hr6A1 GLU 96 HB2 -0.02 0.17 -0.06 -0.04 2.09 2.14 3hr6A1 GLU 96 HB3 -0.01 -0.05 0.10 -0.04 1.99 1.99 3hr6A1 GLU 96 HG2 -0.02 -0.01 -0.02 -0.04 2.34 2.26 3hr6A1 GLU 96 HG3 -0.02 -0.02 -0.34 -0.04 2.34 1.92 3hr6A1 ILE 97 H -0.04 0.30 -0.14 -0.55 8.25 7.82 3hr6A1 ILE 97 HA -0.01 0.10 0.65 -0.75 4.18 4.17 3hr6A1 ILE 97 HB -0.06 0.03 0.08 -0.04 1.89 1.90 3hr6A1 ILE 97 HG12 -0.04 0.24 -0.52 -0.04 1.49 1.13 3hr6A1 ILE 97 HG13 -0.05 -0.04 -0.15 -0.04 1.21 0.92 3hr6A1 ILE 97 HG23 -0.01 -0.02 -0.18 -0.04 0.93 0.68 3hr6A1 ILE 97 HD13 -0.03 0.01 -0.06 -0.04 0.88 0.76 3hr6A1 ASP 98 H 0.03 0.17 -0.01 -0.55 8.40 8.04 3hr6A1 ASP 98 HA 0.02 0.23 0.82 -0.75 4.63 4.94 3hr6A1 ASP 98 HB2 0.01 0.10 -0.00 -0.04 2.71 2.77 3hr6A1 ASP 98 HB3 0.03 -0.07 0.16 -0.04 2.70 2.77 3hr6A1 LEU 99 H 0.08 0.30 -0.05 -0.55 8.37 8.16 3hr6A1 LEU 99 HA 0.30 0.09 0.31 -0.75 4.35 4.29 3hr6A1 LEU 99 HB2 0.20 0.07 -0.05 -0.04 1.64 1.81 3hr6A1 LEU 99 HB3 0.54 0.06 0.05 -0.04 1.64 2.24 3hr6A1 LEU 99 HG 0.08 -0.06 -0.20 -0.04 1.64 1.42 3hr6A1 LEU 99 HD13 0.12 0.03 -0.10 -0.04 0.93 0.94 3hr6A1 LEU 99 HD23 0.07 0.01 -0.15 -0.04 0.89 0.78 3hr6A1 THR 100 H 0.07 0.01 -0.46 -0.55 8.28 7.35 3hr6A1 THR 100 HA 0.02 0.21 0.66 -0.75 4.39 4.53 3hr6A1 THR 100 HB -0.02 0.03 0.10 -0.04 4.32 4.39 3hr6A1 THR 100 HG23 -0.04 0.01 -0.05 -0.04 1.22 1.09 3hr6A1 THR 101 H 0.09 0.28 -0.24 -0.55 8.28 7.86 3hr6A1 THR 101 HA 0.02 0.26 0.87 -0.75 4.39 4.79 3hr6A1 THR 101 HB 0.04 -0.08 0.15 -0.04 4.32 4.39 3hr6A1 THR 101 HG23 0.02 0.02 -0.11 -0.04 1.22 1.11 3hr6A1 GLN 102 H 0.04 0.18 0.16 -0.55 8.47 8.31 3hr6A1 GLN 102 HA 0.15 0.17 0.56 -0.75 4.36 4.48 3hr6A1 GLN 102 HB2 0.04 -0.02 0.15 -0.04 2.15 2.28 3hr6A1 GLN 102 HB3 0.07 0.06 -0.01 -0.04 2.02 2.09 3hr6A1 GLN 102 HG2 0.00 0.01 -0.02 -0.04 2.40 2.35 3hr6A1 GLN 102 HG3 0.02 0.04 0.02 -0.04 2.39 2.43 3hr6A1 GLN 102 HE21 0.10 0.04 -0.02 -0.04 6.97 7.05 3hr6A1 GLN 102 HE22 0.05 -0.00 -0.01 -0.04 7.69 7.69 3hr6A1 ALA 103 H 0.06 0.09 0.03 -0.55 8.40 8.02 3hr6A1 ALA 103 HA 0.05 0.12 0.47 -0.75 4.34 4.23 3hr6A1 ALA 103 HB3 0.03 0.02 0.07 -0.04 1.41 1.49 3hr6A1 GLY 104 H 0.09 0.06 -0.31 -0.55 8.43 7.72 3hr6A1 GLY 104 HA2 0.04 0.11 0.39 -0.51 4.01 4.04 3hr6A1 GLY 104 HA3 0.08 0.18 0.24 -0.51 4.01 4.01 3hr6A1 TRP 105 H 0.29 0.48 -0.09 -0.55 7.97 8.11 3hr6A1 TRP 105 HA 0.02 0.03 0.42 -0.75 4.62 4.33 3hr6A1 TRP 105 HB2 0.03 0.17 0.12 -0.04 3.23 3.51 3hr6A1 TRP 105 HB3 0.02 -0.03 0.13 -0.04 3.23 3.31 3hr6A1 TRP 105 HD1 0.02 -0.01 -0.13 -0.04 7.22 7.05 3hr6A1 TRP 105 HE1 0.02 -0.01 -0.03 -0.04 10.20 10.15 3hr6A1 TRP 105 HE3 0.05 0.01 0.08 -0.04 7.59 7.69 3hr6A1 TRP 105 HZ2 0.03 -0.00 -0.00 -0.04 7.44 7.42 3hr6A1 TRP 105 HZ3 0.09 -0.00 -0.00 -0.04 7.13 7.18 3hr6A1 TRP 105 HH2 0.06 -0.02 0.00 -0.04 7.19 7.20 3hr6A1 ASP 106 H 0.17 0.46 -0.27 -0.55 8.40 8.20 3hr6A1 ASP 106 HA -0.01 0.09 0.58 -0.75 4.63 4.54 3hr6A1 ASP 106 HB2 0.07 0.10 0.08 -0.04 2.71 2.91 3hr6A1 ASP 106 HB3 0.04 -0.03 0.02 -0.04 2.70 2.69 3hr6A1 ALA 107 H 0.02 0.39 -0.10 -0.55 8.40 8.17 3hr6A1 ALA 107 HA -0.02 0.05 0.63 -0.75 4.34 4.25 3hr6A1 ALA 107 HB3 -0.01 0.02 0.13 -0.04 1.41 1.51 3hr6A1 ALA 108 H -0.08 0.52 -0.19 -0.55 8.40 8.10 3hr6A1 ALA 108 HA -0.10 0.02 0.43 -0.75 4.34 3.94 3hr6A1 ALA 108 HB3 -0.23 0.04 0.06 -0.04 1.41 1.24 3hr6A1 SER 109 H -0.17 0.18 -0.45 -0.55 8.46 7.48 3hr6A1 SER 109 HA -0.16 0.09 0.53 -0.75 4.49 4.21 3hr6A1 SER 109 HB2 -0.11 -0.05 0.11 -0.04 3.95 3.86 3hr6A1 SER 109 HB3 -0.25 0.06 0.12 -0.04 3.93 3.83 3hr6A1 LYS 110 H -0.06 0.24 -0.39 -0.55 8.42 7.65 3hr6A1 LYS 110 HA -0.03 0.14 0.84 -0.75 4.32 4.51 3hr6A1 LYS 110 HB2 -0.03 0.07 0.14 -0.04 1.87 2.01 3hr6A1 LYS 110 HB3 -0.02 -0.09 0.06 -0.04 1.79 1.70 3hr6A1 LYS 110 HG2 -0.02 -0.01 0.03 -0.04 1.46 1.42 3hr6A1 LYS 110 HG3 -0.02 0.12 0.00 -0.04 1.46 1.53 3hr6A1 LYS 110 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.63 3hr6A1 LYS 110 HD3 -0.01 -0.04 0.02 -0.04 1.68 1.61 3hr6A1 LYS 110 HE2 -0.00 -0.00 -0.00 -0.04 2.99 2.94 3hr6A1 LYS 110 HE3 0.00 0.00 -0.02 -0.04 2.99 2.93 3hr6A1 ILE 111 H -0.06 0.22 -0.35 -0.55 8.25 7.51 3hr6A1 ILE 111 HA -0.04 -0.05 0.13 -0.75 4.18 3.47 3hr6A1 ILE 111 HB -0.06 0.14 0.07 -0.04 1.89 2.00 3hr6A1 ILE 111 HG12 -0.04 -0.05 -0.05 -0.04 1.49 1.31 3hr6A1 ILE 111 HG13 -0.06 0.30 0.08 -0.04 1.21 1.49 3hr6A1 ILE 111 HG23 -0.04 -0.05 -0.37 -0.04 0.93 0.43 3hr6A1 ILE 111 HD13 -0.06 -0.01 -0.05 -0.04 0.88 0.71 3hr6A1 LYS 112 H -0.03 0.14 0.15 -0.55 8.42 8.13 3hr6A1 LYS 112 HA -0.02 0.20 0.87 -0.75 4.32 4.61 3hr6A1 LYS 112 HB2 -0.02 0.03 0.18 -0.04 1.87 2.03 3hr6A1 LYS 112 HB3 -0.01 -0.16 0.07 -0.04 1.79 1.65 3hr6A1 LYS 112 HG2 -0.01 -0.05 0.07 -0.04 1.46 1.43 3hr6A1 LYS 112 HG3 -0.01 0.18 0.02 -0.04 1.46 1.60 3hr6A1 LYS 112 HD2 -0.01 0.01 0.02 -0.04 1.69 1.67 3hr6A1 LYS 112 HD3 -0.01 -0.05 0.02 -0.04 1.68 1.60 3hr6A1 LYS 112 HE2 -0.01 -0.02 0.01 -0.04 2.99 2.93 3hr6A1 LYS 112 HE3 -0.01 0.14 -0.00 -0.04 2.99 3.08 3hr6A1 LEU 113 H -0.01 0.27 0.08 -0.55 8.37 8.17 3hr6A1 LEU 113 HA -0.01 0.05 0.26 -0.75 4.35 3.89 3hr6A1 LEU 113 HB2 0.01 -0.01 0.11 -0.04 1.64 1.71 3hr6A1 LEU 113 HB3 0.01 0.06 -0.01 -0.04 1.64 1.66 3hr6A1 LEU 113 HG -0.00 0.01 0.02 -0.04 1.64 1.63 3hr6A1 LEU 113 HD13 0.02 0.03 0.03 -0.04 0.93 0.97 3hr6A1 LEU 113 HD23 -0.01 -0.03 -0.14 -0.04 0.89 0.67 3hr6A1 GLU 114 H -0.00 0.04 -0.35 -0.55 8.60 7.74 3hr6A1 GLU 114 HA 0.01 0.36 0.48 -0.75 4.29 4.39 3hr6A1 GLU 114 HB2 -0.01 0.00 0.08 -0.04 2.09 2.12 3hr6A1 GLU 114 HB3 0.00 -0.00 0.10 -0.04 1.99 2.05 3hr6A1 GLU 114 HG2 -0.01 0.00 -0.10 -0.04 2.34 2.19 3hr6A1 GLU 114 HG3 -0.01 0.02 -0.06 -0.04 2.34 2.25 3hr6A1 GLU 115 H -0.02 0.59 -0.25 -0.55 8.60 8.38 3hr6A1 GLU 115 HA -0.04 0.06 0.48 -0.75 4.29 4.03 3hr6A1 GLU 115 HB2 -0.03 0.07 0.06 -0.04 2.09 2.15 3hr6A1 GLU 115 HB3 -0.03 -0.03 0.06 -0.04 1.99 1.94 3hr6A1 GLU 115 HG2 -0.02 -0.05 0.10 -0.04 2.34 2.33 3hr6A1 GLU 115 HG3 -0.02 -0.03 0.07 -0.04 2.34 2.32 3hr6A1 LEU 116 H -0.03 0.36 -0.24 -0.55 8.37 7.92 3hr6A1 LEU 116 HA -0.07 0.03 0.59 -0.75 4.35 4.15 3hr6A1 LEU 116 HB2 -0.03 0.11 -0.00 -0.04 1.64 1.68 3hr6A1 LEU 116 HB3 -0.07 -0.05 -0.07 -0.04 1.64 1.42 3hr6A1 LEU 116 HG -0.04 -0.02 -0.16 -0.04 1.64 1.38 3hr6A1 LEU 116 HD13 -0.05 -0.01 -0.16 -0.04 0.93 0.68 3hr6A1 LEU 116 HD23 -0.05 0.01 -0.19 -0.04 0.89 0.62 3hr6A1 TYR 117 H -0.01 0.40 -0.16 -0.55 8.29 7.97 3hr6A1 TYR 117 HA -0.27 0.12 0.75 -0.75 4.56 4.40 3hr6A1 TYR 117 HB2 -0.21 0.03 -0.40 -0.04 3.06 2.44 3hr6A1 TYR 117 HB3 -0.12 0.00 -0.08 -0.04 2.98 2.74 3hr6A1 TYR 117 HD2 -0.18 -0.01 -0.33 -0.04 7.15 6.59 3hr6A1 TYR 117 HE2 -0.02 -0.01 -0.20 -0.04 6.85 6.57 3hr6A1 THR 118 H -0.77 0.73 0.23 -0.55 8.28 7.93 3hr6A1 THR 118 HA -0.08 0.02 0.63 -0.75 4.39 4.20 3hr6A1 THR 118 HB -0.08 0.23 -0.04 -0.04 4.32 4.39 3hr6A1 THR 118 HG23 -0.15 -0.01 -0.11 -0.04 1.22 0.90 3hr6A1 ASN 119 H -0.04 0.15 0.15 -0.55 8.53 8.25 3hr6A1 ASN 119 HA 0.01 0.04 0.34 -0.75 4.76 4.39 3hr6A1 ASN 119 HB2 0.04 -0.05 -0.10 -0.04 2.88 2.73 3hr6A1 ASN 119 HB3 0.20 0.17 0.05 -0.04 2.79 3.17 3hr6A1 ASN 119 HD21 -0.02 -0.01 0.03 -0.04 7.03 6.99 3hr6A1 ASN 119 HD22 0.01 0.00 0.01 -0.04 7.74 7.72 3hr6A1 GLY 120 H -0.08 0.03 -0.20 -0.55 8.43 7.63 3hr6A1 GLY 120 HA2 0.11 0.01 0.23 -0.51 4.01 3.85 3hr6A1 GLY 120 HA3 0.02 0.07 0.43 -0.51 4.01 4.03 3hr6A1 HIS 121 H -0.79 0.24 -0.31 -0.55 8.41 7.00 3hr6A1 HIS 121 HA -0.22 0.11 0.66 -0.75 4.63 4.43 3hr6A1 HIS 121 HB2 -0.12 -0.00 0.05 -0.04 3.26 3.15 3hr6A1 HIS 121 HB3 -0.15 0.02 -0.30 -0.04 3.20 2.73 3hr6A1 HIS 121 HD2 -0.12 0.20 -0.10 -0.04 6.97 6.90 3hr6A1 HIS 121 HE1 -0.11 -0.12 -0.08 -0.04 7.75 7.39 3hr6A1 PRO 122 HA -0.30 0.11 0.70 -0.51 4.44 4.43 3hr6A1 PRO 122 HB2 -0.27 0.19 0.00 -0.04 2.28 2.16 3hr6A1 PRO 122 HB3 -0.72 -0.04 0.07 -0.04 2.02 1.29 3hr6A1 PRO 122 HG2 0.01 0.04 0.03 -0.04 2.03 2.07 3hr6A1 PRO 122 HG3 0.09 -0.02 0.03 -0.04 2.03 2.09 3hr6A1 PRO 122 HD2 0.06 0.09 0.19 -0.04 3.68 3.98 3hr6A1 PRO 122 HD3 0.08 0.10 0.14 -0.04 3.65 3.93 3hr6A1 THR 123 H -0.20 0.53 0.08 -0.55 8.28 8.14 3hr6A1 THR 123 HA -0.08 0.17 0.73 -0.75 4.39 4.46 3hr6A1 THR 123 HB -0.06 -0.12 0.16 -0.04 4.32 4.26 3hr6A1 THR 123 HG23 -0.18 0.02 -0.27 -0.04 1.22 0.74 3hr6A1 ASP 124 H -0.03 0.15 0.14 -0.55 8.40 8.12 3hr6A1 ASP 124 HA -0.01 0.19 0.46 -0.75 4.63 4.52 3hr6A1 ASP 124 HB2 -0.01 0.01 0.16 -0.04 2.71 2.83 3hr6A1 ASP 124 HB3 -0.00 0.01 0.11 -0.04 2.70 2.77 3hr6A1 LYS 125 H -0.05 0.05 -0.52 -0.55 8.42 7.34 3hr6A1 LYS 125 HA -0.03 0.10 0.56 -0.75 4.32 4.20 3hr6A1 LYS 125 HB2 -0.06 0.04 -0.01 -0.04 1.87 1.80 3hr6A1 LYS 125 HB3 -0.04 -0.01 0.06 -0.04 1.79 1.75 3hr6A1 LYS 125 HG2 -0.03 -0.06 -0.07 -0.04 1.46 1.25 3hr6A1 LYS 125 HG3 -0.04 0.12 0.06 -0.04 1.46 1.55 3hr6A1 LYS 125 HD2 -0.04 0.03 -0.09 -0.04 1.69 1.55 3hr6A1 LYS 125 HD3 -0.03 -0.01 -0.05 -0.04 1.68 1.55 3hr6A1 LYS 125 HE2 -0.02 -0.02 -0.03 -0.04 2.99 2.88 3hr6A1 LYS 125 HE3 -0.03 -0.01 -0.00 -0.04 2.99 2.92 3hr6A1 VAL 126 H -0.05 0.37 -0.21 -0.55 8.24 7.80 3hr6A1 VAL 126 HA -0.02 0.14 1.01 -0.75 4.13 4.51 3hr6A1 VAL 126 HB 0.01 -0.01 -0.08 -0.04 2.12 2.00 3hr6A1 VAL 126 HG13 -0.09 -0.04 -0.22 -0.04 0.97 0.58 3hr6A1 VAL 126 HG23 -0.30 0.02 -0.10 -0.04 0.95 0.53 3hr6A1 THR 127 H 0.07 0.61 0.27 -0.55 8.28 8.67 3hr6A1 THR 127 HA 0.10 0.14 0.87 -0.75 4.39 4.75 3hr6A1 THR 127 HB 0.03 -0.06 0.10 -0.04 4.32 4.35 3hr6A1 THR 127 HG23 0.03 0.06 -0.02 -0.04 1.22 1.25 3hr6A1 LYS 128 H 0.17 0.14 0.11 -0.55 8.42 8.28 3hr6A1 LYS 128 HA -0.29 0.07 0.55 -0.75 4.32 3.90 3hr6A1 LYS 128 HB2 0.04 0.01 0.07 -0.04 1.87 1.95 3hr6A1 LYS 128 HB3 0.01 -0.00 0.08 -0.04 1.79 1.83 3hr6A1 LYS 128 HG2 -0.13 0.02 -0.36 -0.04 1.46 0.95 3hr6A1 LYS 128 HG3 -0.44 0.04 -0.01 -0.04 1.46 1.01 3hr6A1 LYS 128 HD2 -0.09 0.01 -0.08 -0.04 1.69 1.48 3hr6A1 LYS 128 HD3 -0.02 0.00 -0.07 -0.04 1.68 1.55 3hr6A1 LYS 128 HE2 -0.04 0.03 -0.18 -0.04 2.99 2.77 3hr6A1 LYS 128 HE3 -0.09 -0.07 -0.30 -0.04 2.99 2.50 3hr6A1 VAL 129 H -0.22 0.68 0.48 -0.55 8.24 8.63 3hr6A1 VAL 129 HA -0.01 0.17 0.92 -0.75 4.13 4.46 3hr6A1 VAL 129 HB -0.13 -0.01 0.11 -0.04 2.12 2.05 3hr6A1 VAL 129 HG13 0.01 -0.01 -0.14 -0.04 0.97 0.79 3hr6A1 VAL 129 HG23 0.11 -0.01 -0.12 -0.04 0.95 0.89 3hr6A1 ALA 130 H -0.16 0.37 0.38 -0.55 8.40 8.44 3hr6A1 ALA 130 HA 0.01 0.11 0.49 -0.75 4.34 4.19 3hr6A1 ALA 130 HB3 0.16 0.05 -0.02 -0.04 1.41 1.56 3hr6A1 THR 131 H 0.07 0.28 0.23 -0.55 8.28 8.31 3hr6A1 THR 131 HA 0.18 0.00 1.00 -0.75 4.39 4.81 3hr6A1 THR 131 HB -0.00 0.00 -0.03 -0.04 4.32 4.25 3hr6A1 THR 131 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.17 3hr6A1 LYS 132 H 0.25 0.69 0.35 -0.55 8.42 9.15 3hr6A1 LYS 132 HA 0.02 0.09 0.32 -0.75 4.32 4.00 3hr6A1 LYS 132 HB2 -0.09 0.00 0.18 -0.04 1.87 1.92 3hr6A1 LYS 132 HB3 -0.08 0.12 0.08 -0.04 1.79 1.86 3hr6A1 LYS 132 HG2 -0.52 -0.08 -0.23 -0.04 1.46 0.59 3hr6A1 LYS 132 HG3 -0.30 0.02 -0.30 -0.04 1.46 0.84 3hr6A1 LYS 132 HD2 -0.81 -0.07 -0.30 -0.04 1.69 0.47 3hr6A1 LYS 132 HD3 -0.31 0.03 -0.03 -0.04 1.68 1.33 3hr6A1 LYS 132 HE2 -0.19 0.02 -0.09 -0.04 2.99 2.69 3hr6A1 LYS 132 HE3 -0.61 -0.08 -0.20 -0.04 2.99 2.05 3hr6A1 LYS 133 H -0.00 0.16 0.15 -0.55 8.42 8.18 3hr6A1 LYS 133 HA 0.09 0.35 0.72 -0.75 4.32 4.72 3hr6A1 LYS 133 HB2 0.01 -0.02 0.06 -0.04 1.87 1.89 3hr6A1 LYS 133 HB3 0.03 -0.04 -0.04 -0.04 1.79 1.69 3hr6A1 LYS 133 HG2 0.01 0.02 -0.40 -0.04 1.46 1.05 3hr6A1 LYS 133 HG3 0.02 -0.08 -0.24 -0.04 1.46 1.12 3hr6A1 LYS 133 HD2 0.01 -0.04 -0.02 -0.04 1.69 1.60 3hr6A1 LYS 133 HD3 0.02 -0.06 0.00 -0.04 1.68 1.60 3hr6A1 LYS 133 HE2 0.02 0.02 -0.03 -0.04 2.99 2.96 3hr6A1 LYS 133 HE3 0.01 0.09 0.02 -0.04 2.99 3.06 3hr6A1 THR 134 H 0.13 0.45 0.23 -0.55 8.28 8.54 3hr6A1 THR 134 HA 0.01 0.23 0.22 -0.75 4.39 4.09 3hr6A1 THR 134 HB 0.08 -0.06 -0.19 -0.04 4.32 4.11 3hr6A1 THR 134 HG23 0.18 0.04 -0.05 -0.04 1.22 1.35 3hr6A1 GLU 135 H -0.01 0.84 0.33 -0.55 8.60 9.21 3hr6A1 GLU 135 HA 0.03 0.01 0.57 -0.75 4.29 4.14 3hr6A1 GLU 135 HB2 -0.00 0.08 -0.03 -0.04 2.09 2.10 3hr6A1 GLU 135 HB3 -0.01 0.06 0.13 -0.04 1.99 2.13 3hr6A1 GLU 135 HG2 0.00 0.02 0.03 -0.04 2.34 2.35 3hr6A1 GLU 135 HG3 0.01 -0.01 -0.03 -0.04 2.34 2.27 3hr6A1 GLY 136 H 0.03 0.16 0.12 -0.55 8.43 8.20 3hr6A1 GLY 136 HA2 0.04 0.05 0.32 -0.51 4.01 3.91 3hr6A1 GLY 136 HA3 0.03 0.11 0.49 -0.51 4.01 4.13 3hr6A1 GLY 137 H 0.06 -0.03 -0.44 -0.55 8.43 7.48 3hr6A1 GLY 137 HA2 0.11 0.00 0.01 -0.51 4.01 3.63 3hr6A1 GLY 137 HA3 0.12 0.14 0.30 -0.51 4.01 4.06 3hr6A1 VAL 138 H 0.04 0.32 -0.35 -0.55 8.24 7.70 3hr6A1 VAL 138 HA -0.12 0.36 0.94 -0.75 4.13 4.55 3hr6A1 VAL 138 HB 0.11 0.06 -0.41 -0.04 2.12 1.84 3hr6A1 VAL 138 HG13 -0.00 0.01 -0.11 -0.04 0.97 0.83 3hr6A1 VAL 138 HG23 -0.42 -0.02 -0.35 -0.04 0.95 0.12 3hr6A1 ALA 139 H -0.23 0.79 0.25 -0.55 8.40 8.67 3hr6A1 ALA 139 HA -0.20 0.17 0.72 -0.75 4.34 4.27 3hr6A1 ALA 139 HB3 -0.16 -0.01 -0.11 -0.04 1.41 1.09 3hr6A1 LYS 140 H -0.26 0.21 -0.03 -0.55 8.42 7.79 3hr6A1 LYS 140 HA -0.23 0.23 1.00 -0.75 4.32 4.56 3hr6A1 LYS 140 HB2 -0.14 -0.00 -0.06 -0.04 1.87 1.63 3hr6A1 LYS 140 HB3 -0.15 -0.01 0.06 -0.04 1.79 1.65 3hr6A1 LYS 140 HG2 -0.11 -0.04 -0.45 -0.04 1.46 0.81 3hr6A1 LYS 140 HG3 -0.14 0.04 -0.27 -0.04 1.46 1.04 3hr6A1 LYS 140 HD2 -0.06 0.02 -0.13 -0.04 1.69 1.48 3hr6A1 LYS 140 HD3 -0.06 -0.00 -0.10 -0.04 1.68 1.48 3hr6A1 LYS 140 HE2 -0.05 -0.04 -0.14 -0.04 2.99 2.72 3hr6A1 LYS 140 HE3 -0.07 -0.01 -0.19 -0.04 2.99 2.68 3hr6A1 PHE 141 H -0.01 0.82 0.26 -0.55 8.34 8.86 3hr6A1 PHE 141 HA -0.10 0.10 0.73 -0.75 4.62 4.59 3hr6A1 PHE 141 HB2 -0.21 -0.03 0.20 -0.04 3.15 3.07 3hr6A1 PHE 141 HB3 -0.17 0.03 -0.01 -0.04 3.06 2.87 3hr6A1 PHE 141 HD2 -0.14 0.10 -0.07 -0.04 7.28 7.13 3hr6A1 PHE 141 HE2 -0.10 -0.05 -0.30 -0.04 7.38 6.89 3hr6A1 PHE 141 HZ 0.01 0.09 -0.18 -0.04 7.32 7.20 3hr6A1 ASP 142 H -0.03 0.19 0.10 -0.55 8.40 8.12 3hr6A1 ASP 142 HA -0.04 0.08 0.56 -0.75 4.63 4.47 3hr6A1 ASP 142 HB2 -0.06 0.02 -0.11 -0.04 2.71 2.52 3hr6A1 ASP 142 HB3 -0.03 0.03 -0.03 -0.04 2.70 2.63 3hr6A1 ASN 143 H -0.02 0.14 0.09 -0.55 8.53 8.19 3hr6A1 ASN 143 HA -0.01 0.02 0.26 -0.75 4.76 4.28 3hr6A1 ASN 143 HB2 -0.01 -0.08 -0.20 -0.04 2.88 2.54 3hr6A1 ASN 143 HB3 -0.00 0.14 0.03 -0.04 2.79 2.91 3hr6A1 ASN 143 HD21 -0.00 -0.02 0.01 -0.04 7.03 6.98 3hr6A1 ASN 143 HD22 -0.00 0.01 0.03 -0.04 7.74 7.73 3hr6A1 LEU 144 H -0.02 0.63 0.08 -0.55 8.37 8.52 3hr6A1 LEU 144 HA 0.02 0.14 0.62 -0.75 4.35 4.37 3hr6A1 LEU 144 HB2 -0.08 -0.10 -0.25 -0.04 1.64 1.18 3hr6A1 LEU 144 HB3 -0.05 0.10 -0.16 -0.04 1.64 1.48 3hr6A1 LEU 144 HG -0.09 0.03 -0.44 -0.04 1.64 1.11 3hr6A1 LEU 144 HD13 -0.53 -0.04 -0.19 -0.04 0.93 0.13 3hr6A1 LEU 144 HD23 -0.08 0.00 -0.24 -0.04 0.89 0.54 3hr6A1 THR 145 H 0.11 0.11 0.11 -0.55 8.28 8.07 3hr6A1 THR 145 HA 0.03 0.11 0.53 -0.75 4.39 4.32 3hr6A1 THR 145 HB 0.02 0.03 0.09 -0.04 4.32 4.42 3hr6A1 THR 145 HG23 0.03 -0.00 0.05 -0.04 1.22 1.26 3hr6A1 PRO 146 HA 0.09 0.23 0.55 -0.51 4.44 4.80 3hr6A1 PRO 146 HB2 -0.03 -0.09 0.16 -0.04 2.28 2.27 3hr6A1 PRO 146 HB3 -0.04 0.06 0.22 -0.04 2.02 2.22 3hr6A1 PRO 146 HG2 -0.07 -0.01 0.11 -0.04 2.03 2.02 3hr6A1 PRO 146 HG3 -0.05 0.06 0.08 -0.04 2.03 2.08 3hr6A1 PRO 146 HD2 -0.01 0.03 0.23 -0.04 3.68 3.90 3hr6A1 PRO 146 HD3 -0.00 0.20 0.25 -0.04 3.65 4.05 3hr6A1 ALA 147 H 0.14 0.56 0.45 -0.55 8.40 9.00 3hr6A1 ALA 147 HA -0.07 -0.01 0.56 -0.75 4.34 4.06 3hr6A1 ALA 147 HB3 -0.45 0.03 -0.05 -0.04 1.41 0.91 3hr6A1 LEU 148 H -0.16 0.23 0.22 -0.55 8.37 8.11 3hr6A1 LEU 148 HA -0.02 0.11 0.90 -0.75 4.35 4.59 3hr6A1 LEU 148 HB2 -0.05 -0.05 0.09 -0.04 1.64 1.59 3hr6A1 LEU 148 HB3 -0.10 0.02 0.16 -0.04 1.64 1.67 3hr6A1 LEU 148 HG -0.06 0.06 -0.18 -0.04 1.64 1.42 3hr6A1 LEU 148 HD13 -0.03 -0.00 -0.10 -0.04 0.93 0.76 3hr6A1 LEU 148 HD23 -0.07 0.00 -0.04 -0.04 0.89 0.73 3hr6A1 TYR 149 H 0.10 0.70 0.29 -0.55 8.29 8.83 3hr6A1 TYR 149 HA -0.05 0.18 1.18 -0.75 4.56 5.11 3hr6A1 TYR 149 HB2 -0.09 0.09 0.06 -0.04 3.06 3.08 3hr6A1 TYR 149 HB3 -0.14 -0.01 0.01 -0.04 2.98 2.80 3hr6A1 TYR 149 HD2 -0.06 0.09 -0.25 -0.04 7.15 6.88 3hr6A1 TYR 149 HE2 -0.04 0.02 -0.10 -0.04 6.85 6.70 3hr6A1 LEU 150 H 0.08 0.84 0.32 -0.55 8.37 9.06 3hr6A1 LEU 150 HA -0.13 0.27 0.90 -0.75 4.35 4.63 3hr6A1 LEU 150 HB2 -0.05 -0.01 -0.19 -0.04 1.64 1.35 3hr6A1 LEU 150 HB3 0.02 -0.04 -0.01 -0.04 1.64 1.56 3hr6A1 LEU 150 HG -0.13 0.04 -0.33 -0.04 1.64 1.19 3hr6A1 LEU 150 HD13 -0.10 0.01 -0.27 -0.04 0.93 0.53 3hr6A1 LEU 150 HD23 -0.16 -0.01 -0.21 -0.04 0.89 0.47 3hr6A1 VAL 151 H -0.52 0.69 0.27 -0.55 8.24 8.13 3hr6A1 VAL 151 HA -0.23 0.20 0.96 -0.75 4.13 4.31 3hr6A1 VAL 151 HB -1.57 0.03 0.09 -0.04 2.12 0.63 3hr6A1 VAL 151 HG13 -0.06 -0.02 -0.27 -0.04 0.97 0.59 3hr6A1 VAL 151 HG23 -0.36 -0.01 -0.17 -0.04 0.95 0.37 3hr6A1 VAL 152 H 0.02 0.77 0.27 -0.55 8.24 8.75 3hr6A1 VAL 152 HA -0.08 0.17 0.89 -0.75 4.13 4.36 3hr6A1 VAL 152 HB 0.19 -0.06 0.10 -0.04 2.12 2.31 3hr6A1 VAL 152 HG13 -0.07 0.02 -0.23 -0.04 0.97 0.65 3hr6A1 VAL 152 HG23 -0.14 -0.01 -0.26 -0.04 0.95 0.51 3hr6A1 GLN 153 H 0.10 0.24 -0.02 -0.55 8.47 8.24 3hr6A1 GLN 153 HA -0.51 0.11 0.86 -0.75 4.36 4.07 3hr6A1 GLN 153 HB2 -0.04 -0.05 0.05 -0.04 2.15 2.07 3hr6A1 GLN 153 HB3 -0.08 0.12 0.07 -0.04 2.02 2.09 3hr6A1 GLN 153 HG2 -0.33 0.20 -0.03 -0.04 2.40 2.21 3hr6A1 GLN 153 HG3 -1.10 0.08 0.07 -0.04 2.39 1.40 3hr6A1 GLN 153 HE21 -0.38 -0.00 -0.11 -0.04 6.97 6.44 3hr6A1 GLN 153 HE22 -0.35 -0.03 0.01 -0.04 7.69 7.28 3hr6A1 GLU 154 H -0.28 0.73 0.36 -0.55 8.60 8.86 3hr6A1 GLU 154 HA -0.02 0.19 0.64 -0.75 4.29 4.34 3hr6A1 GLU 154 HB2 -0.07 -0.04 -0.10 -0.04 2.09 1.84 3hr6A1 GLU 154 HB3 -0.01 -0.07 0.03 -0.04 1.99 1.90 3hr6A1 GLU 154 HG2 -0.02 0.09 -0.20 -0.04 2.34 2.17 3hr6A1 GLU 154 HG3 0.01 -0.04 -0.23 -0.04 2.34 2.04 3hr6A1 LEU 155 H -0.02 0.17 0.13 -0.55 8.37 8.10 3hr6A1 LEU 155 HA -0.05 0.19 0.63 -0.75 4.35 4.36 3hr6A1 LEU 155 HB2 -0.04 0.00 0.09 -0.04 1.64 1.65 3hr6A1 LEU 155 HB3 -0.07 0.01 0.16 -0.04 1.64 1.69 3hr6A1 LEU 155 HG -0.02 -0.01 -0.04 -0.04 1.64 1.54 3hr6A1 LEU 155 HD13 -0.06 -0.00 -0.04 -0.04 0.93 0.79 3hr6A1 LEU 155 HD23 -0.04 0.02 -0.00 -0.04 0.89 0.83 3hr6A1 ASN 156 H -0.03 -0.03 -0.34 -0.55 8.53 7.58 3hr6A1 ASN 156 HA 0.01 0.29 0.84 -0.75 4.76 5.15 3hr6A1 ASN 156 HB2 0.01 0.27 0.09 -0.04 2.88 3.21 3hr6A1 ASN 156 HB3 0.00 -0.06 -0.19 -0.04 2.79 2.50 3hr6A1 ASN 156 HD21 0.01 -0.17 -0.10 -0.04 7.03 6.73 3hr6A1 ASN 156 HD22 0.01 0.46 0.09 -0.04 7.74 8.25 3hr6A1 GLY 157 H -0.05 0.07 -0.25 -0.55 8.43 7.66 3hr6A1 GLY 157 HA2 -0.03 0.01 0.60 -0.51 4.01 4.08 3hr6A1 GLY 157 HA3 -0.06 -0.01 0.42 -0.51 4.01 3.85 3hr6A1 ALA 158 H 0.01 0.60 0.34 -0.55 8.40 8.80 3hr6A1 ALA 158 HA 0.04 0.08 0.38 -0.75 4.34 4.08 3hr6A1 ALA 158 HB3 0.03 -0.03 0.12 -0.04 1.41 1.49 3hr6A1 GLU 159 H 0.01 0.09 -0.15 -0.55 8.60 8.01 3hr6A1 GLU 159 HA 0.07 0.23 0.83 -0.75 4.29 4.66 3hr6A1 GLU 159 HB2 0.02 -0.07 -0.09 -0.04 2.09 1.91 3hr6A1 GLU 159 HB3 0.05 0.09 -0.01 -0.04 1.99 2.08 3hr6A1 GLU 159 HG2 0.05 0.07 -0.06 -0.04 2.34 2.36 3hr6A1 GLU 159 HG3 0.04 -0.10 -0.22 -0.04 2.34 2.02 3hr6A1 ALA 160 H 0.09 0.19 -0.02 -0.55 8.40 8.11 3hr6A1 ALA 160 HA 0.03 0.09 0.64 -0.75 4.34 4.35 3hr6A1 ALA 160 HB3 0.09 0.04 -0.10 -0.04 1.41 1.41 3hr6A1 VAL 161 H -0.01 0.24 0.21 -0.55 8.24 8.14 3hr6A1 VAL 161 HA 0.08 0.09 0.62 -0.75 4.13 4.17 3hr6A1 VAL 161 HB 0.13 0.11 -0.12 -0.04 2.12 2.20 3hr6A1 VAL 161 HG13 -0.07 -0.01 -0.35 -0.04 0.97 0.50 3hr6A1 VAL 161 HG23 -0.20 -0.02 -0.26 -0.04 0.95 0.43 3hr6A1 VAL 162 H 0.12 0.73 0.22 -0.55 8.24 8.77 3hr6A1 VAL 162 HA 0.08 0.08 0.76 -0.75 4.13 4.29 3hr6A1 VAL 162 HB 0.06 -0.11 0.24 -0.04 2.12 2.27 3hr6A1 VAL 162 HG13 -0.08 0.01 -0.01 -0.04 0.97 0.85 3hr6A1 VAL 162 HG23 0.20 0.02 -0.05 -0.04 0.95 1.08 3hr6A1 ARG 163 H 0.03 0.16 0.17 -0.55 8.46 8.26 3hr6A1 ARG 163 HA 0.04 -0.02 0.23 -0.75 4.34 3.83 3hr6A1 ARG 163 HB2 -0.04 0.00 -0.04 -0.04 1.90 1.78 3hr6A1 ARG 163 HB3 -0.04 0.04 -0.03 -0.04 1.80 1.72 3hr6A1 ARG 163 HG2 0.01 -0.05 0.06 -0.04 1.67 1.65 3hr6A1 ARG 163 HG3 0.02 0.03 -0.22 -0.04 1.67 1.46 3hr6A1 ARG 163 HD2 -0.02 0.28 -0.10 -0.04 3.22 3.34 3hr6A1 ARG 163 HD3 -0.03 -0.09 -0.30 -0.04 3.22 2.77 3hr6A1 SER 164 H 0.10 0.01 0.10 -0.55 8.46 8.12 3hr6A1 SER 164 HA 0.09 0.12 0.63 -0.75 4.49 4.57 3hr6A1 SER 164 HB2 0.27 -0.11 0.02 -0.04 3.95 4.09 3hr6A1 SER 164 HB3 0.18 0.02 0.10 -0.04 3.93 4.19 3hr6A1 GLN 165 H 0.06 0.07 0.21 -0.55 8.47 8.26 3hr6A1 GLN 165 HA 0.01 0.10 0.63 -0.75 4.36 4.35 3hr6A1 GLN 165 HB2 0.06 -0.00 0.06 -0.04 2.15 2.22 3hr6A1 GLN 165 HB3 0.02 0.03 0.14 -0.04 2.02 2.17 3hr6A1 GLN 165 HG2 0.02 -0.03 0.16 -0.04 2.40 2.51 3hr6A1 GLN 165 HG3 0.02 -0.02 0.08 -0.04 2.39 2.43 3hr6A1 GLN 165 HE21 0.01 0.00 0.01 -0.04 6.97 6.96 3hr6A1 GLN 165 HE22 0.00 0.04 0.02 -0.04 7.69 7.72 3hr6A1 PRO 166 HA -0.07 0.31 0.69 -0.51 4.44 4.86 3hr6A1 PRO 166 HB2 -0.18 -0.04 -0.05 -0.04 2.28 1.98 3hr6A1 PRO 166 HB3 -0.37 0.01 -0.03 -0.04 2.02 1.60 3hr6A1 PRO 166 HG2 -0.73 0.01 -0.02 -0.04 2.03 1.24 3hr6A1 PRO 166 HG3 -0.84 0.05 0.02 -0.04 2.03 1.22 3hr6A1 PRO 166 HD2 -0.08 0.05 0.18 -0.04 3.68 3.79 3hr6A1 PRO 166 HD3 -0.14 0.16 0.20 -0.04 3.65 3.83 3hr6A1 PHE 167 H -0.28 0.43 0.33 -0.55 8.34 8.27 3hr6A1 PHE 167 HA -0.02 0.08 0.60 -0.75 4.62 4.52 3hr6A1 PHE 167 HB2 0.00 -0.01 0.12 -0.04 3.15 3.22 3hr6A1 PHE 167 HB3 0.00 0.12 -0.16 -0.04 3.06 2.98 3hr6A1 PHE 167 HD2 0.03 0.26 -0.15 -0.04 7.28 7.38 3hr6A1 PHE 167 HE2 0.04 -0.02 -0.12 -0.04 7.38 7.24 3hr6A1 PHE 167 HZ -0.08 -0.04 -0.13 -0.04 7.32 7.04 3hr6A1 LEU 168 H 0.13 0.14 0.18 -0.55 8.37 8.27 3hr6A1 LEU 168 HA -0.05 0.32 0.81 -0.75 4.35 4.67 3hr6A1 LEU 168 HB2 0.03 -0.02 0.12 -0.04 1.64 1.73 3hr6A1 LEU 168 HB3 -0.01 0.00 0.03 -0.04 1.64 1.62 3hr6A1 LEU 168 HG -0.01 -0.08 -0.05 -0.04 1.64 1.45 3hr6A1 LEU 168 HD13 -0.04 0.00 -0.03 -0.04 0.93 0.82 3hr6A1 LEU 168 HD23 -0.05 0.01 -0.13 -0.04 0.89 0.68 3hr6A1 VAL 169 H 0.02 0.68 0.29 -0.55 8.24 8.68 3hr6A1 VAL 169 HA 0.12 0.12 0.68 -0.75 4.13 4.30 3hr6A1 VAL 169 HB 0.04 -0.07 -0.02 -0.04 2.12 2.03 3hr6A1 VAL 169 HG13 0.09 0.05 -0.17 -0.04 0.97 0.90 3hr6A1 VAL 169 HG23 0.08 0.01 -0.29 -0.04 0.95 0.71 3hr6A1 ALA 170 H 0.10 0.14 0.10 -0.55 8.40 8.20 3hr6A1 ALA 170 HA 0.12 0.11 0.90 -0.75 4.34 4.71 3hr6A1 ALA 170 HB3 0.14 0.01 0.07 -0.04 1.41 1.59 3hr6A1 ALA 171 H 0.19 0.60 0.31 -0.55 8.40 8.95 3hr6A1 ALA 171 HA 0.14 0.01 0.46 -0.75 4.34 4.20 3hr6A1 ALA 171 HB3 0.10 0.00 -0.07 -0.04 1.41 1.40 3hr6A1 PRO 172 HA 0.13 0.13 0.40 -0.51 4.44 4.59 3hr6A1 PRO 172 HB2 0.28 0.09 -0.05 -0.04 2.28 2.56 3hr6A1 PRO 172 HB3 0.06 -0.02 0.05 -0.04 2.02 2.07 3hr6A1 PRO 172 HG2 -0.20 -0.00 -0.09 -0.04 2.03 1.70 3hr6A1 PRO 172 HG3 -0.28 0.03 0.01 -0.04 2.03 1.75 3hr6A1 PRO 172 HD2 -0.03 0.04 0.28 -0.04 3.68 3.93 3hr6A1 PRO 172 HD3 -0.04 0.09 0.22 -0.04 3.65 3.88 3hr6A1 GLN 173 H 0.25 0.58 0.25 -0.55 8.47 9.01 3hr6A1 GLN 173 HA 0.32 0.15 0.69 -0.75 4.36 4.76 3hr6A1 GLN 173 HB2 0.16 -0.02 0.01 -0.04 2.15 2.26 3hr6A1 GLN 173 HB3 0.16 0.03 0.12 -0.04 2.02 2.29 3hr6A1 GLN 173 HG2 0.19 -0.03 -0.05 -0.04 2.40 2.47 3hr6A1 GLN 173 HG3 0.17 0.08 -0.37 -0.04 2.39 2.22 3hr6A1 GLN 173 HE21 0.12 -0.05 0.04 -0.04 6.97 7.04 3hr6A1 GLN 173 HE22 0.13 0.44 0.11 -0.04 7.69 8.33 3hr6A1 THR 174 H 0.09 0.16 0.10 -0.55 8.28 8.07 3hr6A1 THR 174 HA -0.27 0.09 0.83 -0.75 4.39 4.28 3hr6A1 THR 174 HB -0.11 -0.01 0.05 -0.04 4.32 4.21 3hr6A1 THR 174 HG23 -0.28 0.07 -0.09 -0.04 1.22 0.88 3hr6A1 ASN 175 H -0.10 0.75 0.15 -0.55 8.53 8.78 3hr6A1 ASN 175 HA 0.03 0.10 0.39 -0.75 4.76 4.52 3hr6A1 ASN 175 HB2 0.01 0.13 -0.25 -0.04 2.88 2.73 3hr6A1 ASN 175 HB3 -0.04 -0.16 -0.21 -0.04 2.79 2.34 3hr6A1 ASN 175 HD21 0.03 -0.01 -0.00 -0.04 7.03 7.01 3hr6A1 ASN 175 HD22 0.04 0.06 -0.06 -0.04 7.74 7.75 3hr6A1 PRO 176 HA -0.00 0.13 0.40 -0.51 4.44 4.46 3hr6A1 PRO 176 HB2 0.01 -0.00 0.01 -0.04 2.28 2.26 3hr6A1 PRO 176 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 3hr6A1 PRO 176 HG2 0.04 0.04 0.09 -0.04 2.03 2.16 3hr6A1 PRO 176 HG3 0.04 0.08 0.11 -0.04 2.03 2.22 3hr6A1 PRO 176 HD2 0.04 0.05 0.21 -0.04 3.68 3.93 3hr6A1 PRO 176 HD3 0.05 0.22 0.23 -0.04 3.65 4.10 3hr6A1 THR 177 H -0.01 0.07 -0.30 -0.55 8.28 7.49 3hr6A1 THR 177 HA -0.02 0.14 0.54 -0.75 4.39 4.30 3hr6A1 THR 177 HB -0.01 0.04 0.09 -0.04 4.32 4.39 3hr6A1 THR 177 HG23 -0.00 0.01 0.01 -0.04 1.22 1.20 3hr6A1 GLY 178 H -0.05 0.61 -0.47 -0.55 8.43 7.97 3hr6A1 GLY 178 HA2 -0.11 0.06 0.25 -0.51 4.01 3.71 3hr6A1 GLY 178 HA3 -0.07 0.11 0.56 -0.51 4.01 4.10 3hr6A1 ASP 179 H -0.05 -0.00 -0.47 -0.55 8.40 7.33 3hr6A1 ASP 179 HA -0.05 0.11 0.43 -0.75 4.63 4.37 3hr6A1 ASP 179 HB2 -0.02 0.05 -0.04 -0.04 2.71 2.65 3hr6A1 ASP 179 HB3 -0.02 -0.03 0.14 -0.04 2.70 2.75 3hr6A1 GLY 180 H -0.15 0.42 0.04 -0.55 8.43 8.19 3hr6A1 GLY 180 HA2 -0.16 0.01 0.32 -0.51 4.01 3.68 3hr6A1 GLY 180 HA3 -0.01 0.14 0.45 -0.51 4.01 4.08 3hr6A1 TRP 181 H 0.25 0.13 0.18 -0.55 7.97 7.97 3hr6A1 TRP 181 HA 0.03 0.12 0.66 -0.75 4.62 4.67 3hr6A1 TRP 181 HB2 0.02 -0.03 0.08 -0.04 3.23 3.26 3hr6A1 TRP 181 HB3 0.03 0.07 -0.07 -0.04 3.23 3.22 3hr6A1 TRP 181 HD1 0.01 -0.02 0.03 -0.04 7.22 7.20 3hr6A1 TRP 181 HE1 -0.01 0.00 -0.03 -0.04 10.20 10.12 3hr6A1 TRP 181 HE3 0.04 0.18 -0.34 -0.04 7.59 7.43 3hr6A1 TRP 181 HZ2 -0.03 -0.01 -0.05 -0.04 7.44 7.30 3hr6A1 TRP 181 HZ3 0.04 0.03 -0.29 -0.04 7.13 6.87 3hr6A1 TRP 181 HH2 -0.05 0.02 -0.10 -0.04 7.19 7.01 3hr6A1 LEU 182 H 0.28 0.94 0.25 -0.55 8.37 9.29 3hr6A1 LEU 182 HA 0.14 0.09 0.76 -0.75 4.35 4.59 3hr6A1 LEU 182 HB2 0.11 -0.02 -0.17 -0.04 1.64 1.51 3hr6A1 LEU 182 HB3 0.15 -0.04 -0.06 -0.04 1.64 1.65 3hr6A1 LEU 182 HG 0.13 -0.01 -0.38 -0.04 1.64 1.34 3hr6A1 LEU 182 HD13 0.12 -0.01 0.04 -0.04 0.93 1.04 3hr6A1 LEU 182 HD23 0.12 -0.00 -0.03 -0.04 0.89 0.94 3hr6A1 GLN 183 H 0.12 0.20 0.06 -0.55 8.47 8.30 3hr6A1 GLN 183 HA 0.09 0.09 0.68 -0.75 4.36 4.46 3hr6A1 GLN 183 HB2 0.05 -0.02 0.07 -0.04 2.15 2.21 3hr6A1 GLN 183 HB3 0.03 0.17 0.09 -0.04 2.02 2.26 3hr6A1 GLN 183 HG2 0.11 -0.03 -0.06 -0.04 2.40 2.38 3hr6A1 GLN 183 HG3 0.04 0.07 0.01 -0.04 2.39 2.47 3hr6A1 GLN 183 HE21 -0.18 0.00 -0.07 -0.04 6.97 6.68 3hr6A1 GLN 183 HE22 0.08 -0.02 -0.09 -0.04 7.69 7.62 3hr6A1 ASP 184 H 0.07 0.07 -0.00 -0.55 8.40 8.00 3hr6A1 ASP 184 HA -0.03 0.13 0.91 -0.75 4.63 4.89 3hr6A1 ASP 184 HB2 0.07 -0.01 0.14 -0.04 2.71 2.87 3hr6A1 ASP 184 HB3 -0.02 0.05 -0.01 -0.04 2.70 2.68 3hr6A1 VAL 185 H -0.06 0.74 0.24 -0.55 8.24 8.61 3hr6A1 VAL 185 HA 0.08 0.07 0.58 -0.75 4.13 4.11 3hr6A1 VAL 185 HB -0.01 0.06 0.17 -0.04 2.12 2.30 3hr6A1 VAL 185 HG13 0.07 0.00 -0.10 -0.04 0.97 0.91 3hr6A1 VAL 185 HG23 0.09 0.03 -0.10 -0.04 0.95 0.93 3hr6A1 HIS 186 H 0.19 0.22 0.21 -0.55 8.41 8.48 3hr6A1 HIS 186 HA -0.06 0.27 0.93 -0.75 4.63 5.01 3hr6A1 HIS 186 HB2 0.21 -0.04 0.10 -0.04 3.26 3.49 3hr6A1 HIS 186 HB3 0.02 0.06 -0.01 -0.04 3.20 3.23 3hr6A1 HIS 186 HD2 0.10 0.07 -0.13 -0.04 6.97 6.96 3hr6A1 HIS 186 HE1 0.14 -0.03 -0.10 -0.04 7.75 7.71 3hr6A1 VAL 187 H -0.19 0.68 0.38 -0.55 8.24 8.57 3hr6A1 VAL 187 HA 0.09 0.16 0.84 -0.75 4.13 4.48 3hr6A1 VAL 187 HB 0.12 -0.03 0.04 -0.04 2.12 2.21 3hr6A1 VAL 187 HG13 0.17 -0.00 -0.24 -0.04 0.97 0.85 3hr6A1 VAL 187 HG23 0.10 0.00 -0.14 -0.04 0.95 0.87 3hr6A1 TYR 188 H 0.04 0.11 0.05 -0.55 8.29 7.93 3hr6A1 TYR 188 HA 0.08 0.41 0.92 -0.75 4.56 5.22 3hr6A1 TYR 188 HB2 -0.02 -0.04 0.08 -0.04 3.06 3.04 3hr6A1 TYR 188 HB3 0.01 0.04 0.07 -0.04 2.98 3.06 3hr6A1 TYR 188 HD2 0.03 0.02 -0.12 -0.04 7.15 7.05 3hr6A1 TYR 188 HE2 -0.15 0.03 -0.14 -0.04 6.85 6.54 3hr6A1 PRO 189 HA -0.15 0.01 0.54 -0.51 4.44 4.33 3hr6A1 PRO 189 HB2 0.25 0.04 -0.03 -0.04 2.28 2.50 3hr6A1 PRO 189 HB3 -0.13 0.04 0.06 -0.04 2.02 1.94 3hr6A1 PRO 189 HG2 0.22 -0.00 -0.06 -0.04 2.03 2.15 3hr6A1 PRO 189 HG3 0.20 -0.01 -0.12 -0.04 2.03 2.06 3hr6A1 PRO 189 HD2 -0.03 0.31 -0.03 -0.04 3.68 3.89 3hr6A1 PRO 189 HD3 -0.03 -0.01 -0.15 -0.04 3.65 3.43 3hr6A1 LYS 190 H 0.00 0.07 0.26 -0.55 8.42 8.19 3hr6A1 LYS 190 HA 0.01 0.33 0.95 -0.75 4.32 4.86 3hr6A1 LYS 190 HB2 -0.01 -0.14 0.15 -0.04 1.87 1.83 3hr6A1 LYS 190 HB3 -0.03 0.24 -0.02 -0.04 1.79 1.95 3hr6A1 LYS 190 HG2 -0.03 -0.10 -0.31 -0.04 1.46 0.99 3hr6A1 LYS 190 HG3 -0.04 0.01 -0.25 -0.04 1.46 1.15 3hr6A1 LYS 190 HD2 0.01 -0.01 -0.15 -0.04 1.69 1.49 3hr6A1 LYS 190 HD3 0.02 -0.00 -0.29 -0.04 1.68 1.36 3hr6A1 LYS 190 HE2 -0.03 -0.10 0.04 -0.04 2.99 2.86 3hr6A1 LYS 190 HE3 -0.03 -0.10 -0.03 -0.04 2.99 2.80 3hr6A1 HIS 191 H -0.30 0.70 0.43 -0.55 8.41 8.70 3hr6A1 HIS 191 HA 0.03 0.23 0.71 -0.75 4.63 4.84 3hr6A1 HIS 191 HB2 0.04 0.17 0.00 -0.04 3.26 3.43 3hr6A1 HIS 191 HB3 0.06 -0.14 -0.09 -0.04 3.20 2.99 3hr6A1 HIS 191 HD2 0.05 -0.01 -0.56 -0.04 6.97 6.41 3hr6A1 HIS 191 HE1 0.11 0.05 -0.43 -0.04 7.75 7.43 3hr6A1 GLN 192 H 0.16 0.56 0.29 -0.55 8.47 8.94 3hr6A1 GLN 192 HA 0.02 0.07 1.02 -0.75 4.36 4.72 3hr6A1 GLN 192 HB2 0.05 -0.06 0.12 -0.04 2.15 2.21 3hr6A1 GLN 192 HB3 0.06 0.10 0.07 -0.04 2.02 2.21 3hr6A1 GLN 192 HG2 0.00 0.27 0.07 -0.04 2.40 2.70 3hr6A1 GLN 192 HG3 -0.01 0.03 -0.16 -0.04 2.39 2.21 3hr6A1 GLN 192 HE21 -0.01 -0.02 -0.13 -0.04 6.97 6.77 3hr6A1 GLN 192 HE22 -0.03 0.56 -0.16 -0.04 7.69 8.02 3hr6A1 ALA 193 H 0.08 0.10 0.13 -0.55 8.40 8.17 3hr6A1 ALA 193 HA 0.15 0.11 0.57 -0.75 4.34 4.42 3hr6A1 ALA 193 HB3 0.09 0.02 0.02 -0.04 1.41 1.51 3hr6A1 LEU 194 H 0.10 0.32 0.23 -0.55 8.37 8.47 3hr6A1 LEU 194 HA 0.13 0.09 0.80 -0.75 4.35 4.62 3hr6A1 LEU 194 HB2 0.08 0.12 0.11 -0.04 1.64 1.90 3hr6A1 LEU 194 HB3 0.08 0.09 -0.01 -0.04 1.64 1.76 3hr6A1 LEU 194 HG 0.14 -0.07 -0.22 -0.04 1.64 1.45 3hr6A1 LEU 194 HD13 0.05 0.01 -0.27 -0.04 0.93 0.68 3hr6A1 LEU 194 HD23 0.19 0.00 -0.00 -0.04 0.89 1.04 3hr6A1 SER 195 H 0.09 0.13 0.08 -0.55 8.46 8.22 3hr6A1 SER 195 HA 0.05 0.07 0.54 -0.75 4.49 4.39 3hr6A1 SER 195 HB2 0.06 -0.05 0.01 -0.04 3.95 3.94 3hr6A1 SER 195 HB3 0.04 0.04 -0.02 -0.04 3.93 3.96 3hr6A1 GLU 196 H 0.02 0.06 0.15 -0.55 8.60 8.28 3hr6A1 GLU 196 HA -0.02 0.23 0.40 -0.75 4.29 4.14 3hr6A1 GLU 196 HB2 -0.03 0.01 0.14 -0.04 2.09 2.17 3hr6A1 GLU 196 HB3 -0.01 -0.13 0.19 -0.04 1.99 1.99 3hr6A1 GLU 196 HG2 -0.05 0.04 -0.19 -0.04 2.34 2.10 3hr6A1 GLU 196 HG3 -0.10 0.48 0.06 -0.04 2.34 2.75 3hr6A1 PRO 197 HA 0.02 0.15 0.57 -0.51 4.44 4.67 3hr6A1 PRO 197 HB2 -0.02 -0.10 -0.10 -0.04 2.28 2.02 3hr6A1 PRO 197 HB3 0.03 0.01 -0.18 -0.04 2.02 1.84 3hr6A1 PRO 197 HG2 0.02 -0.00 -0.05 -0.04 2.03 1.95 3hr6A1 PRO 197 HG3 0.04 0.02 0.06 -0.04 2.03 2.12 3hr6A1 PRO 197 HD2 -0.07 0.15 -0.18 -0.04 3.68 3.54 3hr6A1 PRO 197 HD3 0.00 0.29 0.22 -0.04 3.65 4.11 3hr6A1 VAL 198 H 0.02 0.62 0.34 -0.55 8.24 8.67 3hr6A1 VAL 198 HA -0.01 0.06 0.89 -0.75 4.13 4.32 3hr6A1 VAL 198 HB 0.01 -0.03 0.24 -0.04 2.12 2.31 3hr6A1 VAL 198 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.80 3hr6A1 VAL 198 HG23 0.01 0.02 0.00 -0.04 0.95 0.94 3hr6A1 LYS 199 H -0.02 0.20 0.21 -0.55 8.42 8.25 3hr6A1 LYS 199 HA 0.01 0.37 1.12 -0.75 4.32 5.07 3hr6A1 LYS 199 HB2 -0.04 -0.10 0.01 -0.04 1.87 1.70 3hr6A1 LYS 199 HB3 -0.05 0.20 0.06 -0.04 1.79 1.95 3hr6A1 LYS 199 HG2 -0.05 -0.03 -0.31 -0.04 1.46 1.02 3hr6A1 LYS 199 HG3 -0.04 0.04 -0.08 -0.04 1.46 1.34 3hr6A1 LYS 199 HD2 -0.11 -0.08 -0.29 -0.04 1.69 1.17 3hr6A1 LYS 199 HD3 -0.16 0.15 -0.31 -0.04 1.68 1.32 3hr6A1 LYS 199 HE2 -0.74 -0.02 -0.19 -0.04 2.99 2.00 3hr6A1 LYS 199 HE3 -0.57 0.00 -0.19 -0.04 2.99 2.19 3hr6A1 THR 200 H 0.03 0.70 0.38 -0.55 8.28 8.84 3hr6A1 THR 200 HA 0.05 0.11 0.81 -0.75 4.39 4.61 3hr6A1 THR 200 HB 0.03 0.05 0.05 -0.04 4.32 4.41 3hr6A1 THR 200 HG23 0.02 -0.02 -0.18 -0.04 1.22 0.99 3hr6A1 ALA 201 H 0.08 0.17 0.17 -0.55 8.40 8.27 3hr6A1 ALA 201 HA -0.06 0.34 1.06 -0.75 4.34 4.93 3hr6A1 ALA 201 HB3 0.09 -0.01 0.02 -0.04 1.41 1.46 3hr6A1 VAL 202 H -0.23 0.77 0.33 -0.55 8.24 8.56 3hr6A1 VAL 202 HA 0.01 0.10 0.73 -0.75 4.13 4.22 3hr6A1 VAL 202 HB -0.11 -0.02 -0.12 -0.04 2.12 1.84 3hr6A1 VAL 202 HG13 -0.04 0.00 -0.27 -0.04 0.97 0.62 3hr6A1 VAL 202 HG23 -0.03 -0.01 -0.34 -0.04 0.95 0.53 3hr6A1 ASP 203 H 0.04 0.16 0.07 -0.55 8.40 8.12 3hr6A1 ASP 203 HA 0.19 0.19 0.77 -0.75 4.63 5.02 3hr6A1 ASP 203 HB2 0.05 -0.09 0.10 -0.04 2.71 2.73 3hr6A1 ASP 203 HB3 -0.01 -0.02 0.13 -0.04 2.70 2.75 3hr6A1 PRO 204 HA -0.04 0.11 0.36 -0.51 4.44 4.35 3hr6A1 PRO 204 HB2 -0.04 -0.01 -0.07 -0.04 2.28 2.12 3hr6A1 PRO 204 HB3 -0.08 0.00 -0.07 -0.04 2.02 1.83 3hr6A1 PRO 204 HG2 -0.04 0.02 -0.07 -0.04 2.03 1.90 3hr6A1 PRO 204 HG3 -0.12 -0.01 -0.35 -0.04 2.03 1.51 3hr6A1 PRO 204 HD2 0.00 0.30 0.27 -0.04 3.68 4.22 3hr6A1 PRO 204 HD3 -0.15 0.18 0.15 -0.04 3.65 3.79 3hr6A1 ASP 205 H -0.01 0.26 -0.31 -0.55 8.40 7.79 3hr6A1 ASP 205 HA -0.02 0.08 0.71 -0.75 4.63 4.65 3hr6A1 ASP 205 HB2 -0.01 0.05 -0.16 -0.04 2.71 2.55 3hr6A1 ASP 205 HB3 -0.00 0.05 0.12 -0.04 2.70 2.83 3hr6A1 ALA 206 H -0.02 0.16 0.04 -0.55 8.40 8.03 3hr6A1 ALA 206 HA -0.07 0.17 0.35 -0.75 4.34 4.04 3hr6A1 ALA 206 HB3 -0.04 0.01 0.02 -0.04 1.41 1.36 3hr6A1 THR 207 H -0.02 -0.00 -0.32 -0.55 8.28 7.39 3hr6A1 THR 207 HA -0.01 0.04 0.37 -0.75 4.39 4.04 3hr6A1 THR 207 HB 0.00 -0.00 0.01 -0.04 4.32 4.29 3hr6A1 THR 207 HG23 0.02 0.01 -0.05 -0.04 1.22 1.16 3hr6A1 GLN 208 H -0.03 0.16 -0.19 -0.55 8.47 7.87 3hr6A1 GLN 208 HA -0.03 0.23 0.74 -0.75 4.36 4.54 3hr6A1 GLN 208 HB2 0.05 -0.03 -0.03 -0.04 2.15 2.10 3hr6A1 GLN 208 HB3 0.01 -0.05 0.03 -0.04 2.02 1.97 3hr6A1 GLN 208 HG2 -0.02 0.19 -0.22 -0.04 2.40 2.30 3hr6A1 GLN 208 HG3 0.15 0.03 0.06 -0.04 2.39 2.58 3hr6A1 GLN 208 HE21 0.19 0.45 0.12 -0.04 6.97 7.69 3hr6A1 GLN 208 HE22 0.17 -0.05 -0.04 -0.04 7.69 7.74 3hr6A1 PRO 209 HA -0.39 -0.01 0.40 -0.51 4.44 3.93 3hr6A1 PRO 209 HB2 -2.35 -0.09 -0.08 -0.04 2.28 -0.29 3hr6A1 PRO 209 HB3 -0.81 0.31 0.09 -0.04 2.02 1.57 3hr6A1 PRO 209 HG2 -0.38 -0.01 0.05 -0.04 2.03 1.66 3hr6A1 PRO 209 HG3 -0.28 0.07 0.05 -0.04 2.03 1.83 3hr6A1 PRO 209 HD2 -0.21 0.05 0.16 -0.04 3.68 3.64 3hr6A1 PRO 209 HD3 -0.12 0.23 0.08 -0.04 3.65 3.80 3hr6A1 GLY 210 H -0.34 0.06 0.20 -0.55 8.43 7.80 3hr6A1 GLY 210 HA2 -0.32 -0.06 0.34 -0.51 4.01 3.45 3hr6A1 GLY 210 HA3 -0.39 0.05 0.43 -0.51 4.01 3.59 3hr6A1 PHE 211 H -0.09 0.06 -0.01 -0.55 8.34 7.75 3hr6A1 PHE 211 HA 0.01 0.25 0.77 -0.75 4.62 4.90 3hr6A1 PHE 211 HB2 -0.05 -0.03 -0.13 -0.04 3.15 2.89 3hr6A1 PHE 211 HB3 -0.08 0.33 -0.10 -0.04 3.06 3.17 3hr6A1 PHE 211 HD2 -0.16 0.04 -0.07 -0.04 7.28 7.06 3hr6A1 PHE 211 HE2 -0.21 -0.02 -0.19 -0.04 7.38 6.91 3hr6A1 PHE 211 HZ -0.13 -0.02 -0.12 -0.04 7.32 7.01 3hr6A1 SER 212 H 0.13 0.26 -0.07 -0.55 8.46 8.23 3hr6A1 SER 212 HA 0.32 -0.01 0.60 -0.75 4.49 4.65 3hr6A1 SER 212 HB2 0.19 0.09 0.10 -0.04 3.95 4.29 3hr6A1 SER 212 HB3 0.21 0.15 0.20 -0.04 3.93 4.44 3hr6A1 VAL 213 H 0.34 0.44 0.28 -0.55 8.24 8.75 3hr6A1 VAL 213 HA 0.14 0.15 0.36 -0.75 4.13 4.03 3hr6A1 VAL 213 HB 0.13 -0.01 0.12 -0.04 2.12 2.32 3hr6A1 VAL 213 HG13 0.06 -0.01 -0.25 -0.04 0.97 0.73 3hr6A1 VAL 213 HG23 0.08 -0.02 -0.20 -0.04 0.95 0.77 3hr6A1 GLY 214 H 0.09 0.67 0.38 -0.55 8.43 9.02 3hr6A1 GLY 214 HA2 0.06 0.01 0.35 -0.51 4.01 3.91 3hr6A1 GLY 214 HA3 0.08 -0.07 0.77 -0.51 4.01 4.28 3hr6A1 GLU 215 H 0.11 0.57 0.02 -0.55 8.60 8.75 3hr6A1 GLU 215 HA 0.05 0.14 0.87 -0.75 4.29 4.59 3hr6A1 GLU 215 HB2 0.13 0.06 -0.01 -0.04 2.09 2.23 3hr6A1 GLU 215 HB3 0.08 0.00 0.18 -0.04 1.99 2.21 3hr6A1 GLU 215 HG2 0.07 -0.01 -0.21 -0.04 2.34 2.14 3hr6A1 GLU 215 HG3 0.10 0.03 -0.17 -0.04 2.34 2.26 3hr6A1 ASN 216 H 0.02 0.15 0.17 -0.55 8.53 8.32 3hr6A1 ASN 216 HA -0.03 0.14 1.08 -0.75 4.76 5.19 3hr6A1 ASN 216 HB2 -0.04 -0.03 0.04 -0.04 2.88 2.81 3hr6A1 ASN 216 HB3 -0.07 0.09 -0.04 -0.04 2.79 2.73 3hr6A1 ASN 216 HD21 0.00 0.01 -0.07 -0.04 7.03 6.93 3hr6A1 ASN 216 HD22 -0.01 0.01 -0.04 -0.04 7.74 7.67 3hr6A1 VAL 217 H -0.22 0.55 0.36 -0.55 8.24 8.38 3hr6A1 VAL 217 HA -0.73 0.16 0.90 -0.75 4.13 3.70 3hr6A1 VAL 217 HB -0.93 0.01 0.05 -0.04 2.12 1.21 3hr6A1 VAL 217 HG13 -0.41 0.02 -0.09 -0.04 0.97 0.45 3hr6A1 VAL 217 HG23 -1.85 0.01 -0.04 -0.04 0.95 -0.97 3hr6A1 LYS 218 H -0.64 0.46 0.34 -0.55 8.42 8.03 3hr6A1 LYS 218 HA -0.44 0.29 1.07 -0.75 4.32 4.48 3hr6A1 LYS 218 HB2 -0.20 -0.04 -0.08 -0.04 1.87 1.51 3hr6A1 LYS 218 HB3 -0.22 0.02 0.05 -0.04 1.79 1.59 3hr6A1 LYS 218 HG2 -0.17 -0.05 -0.26 -0.04 1.46 0.94 3hr6A1 LYS 218 HG3 -0.19 0.12 -0.06 -0.04 1.46 1.29 3hr6A1 LYS 218 HD2 -0.08 -0.01 -0.12 -0.04 1.69 1.43 3hr6A1 LYS 218 HD3 -0.09 -0.04 -0.18 -0.04 1.68 1.33 3hr6A1 LYS 218 HE2 -0.06 -0.03 -0.16 -0.04 2.99 2.70 3hr6A1 LYS 218 HE3 -0.05 0.02 -0.12 -0.04 2.99 2.80 3hr6A1 TYR 219 H -0.67 0.67 0.36 -0.55 8.29 8.10 3hr6A1 TYR 219 HA -0.27 0.28 1.10 -0.75 4.56 4.91 3hr6A1 TYR 219 HB2 -1.25 -0.03 0.02 -0.04 3.06 1.75 3hr6A1 TYR 219 HB3 -0.29 0.02 -0.03 -0.04 2.98 2.63 3hr6A1 TYR 219 HD2 -0.37 0.10 -0.12 -0.04 7.15 6.71 3hr6A1 TYR 219 HE2 -0.07 -0.02 -0.14 -0.04 6.85 6.58 3hr6A1 ARG 220 H 0.04 0.66 0.30 -0.55 8.46 8.90 3hr6A1 ARG 220 HA 0.02 0.27 0.96 -0.75 4.34 4.84 3hr6A1 ARG 220 HB2 -0.02 0.00 -0.16 -0.04 1.90 1.68 3hr6A1 ARG 220 HB3 0.00 -0.07 0.04 -0.04 1.80 1.74 3hr6A1 ARG 220 HG2 0.02 0.01 -0.31 -0.04 1.67 1.35 3hr6A1 ARG 220 HG3 0.02 0.02 -0.12 -0.04 1.67 1.55 3hr6A1 ARG 220 HD2 -0.00 0.00 -0.13 -0.04 3.22 3.04 3hr6A1 ARG 220 HD3 0.01 -0.03 -0.13 -0.04 3.22 3.04 3hr6A1 VAL 221 H 0.08 0.79 0.30 -0.55 8.24 8.85 3hr6A1 VAL 221 HA 0.04 0.22 1.00 -0.75 4.13 4.64 3hr6A1 VAL 221 HB 0.11 -0.02 0.15 -0.04 2.12 2.32 3hr6A1 VAL 221 HG13 0.06 -0.01 -0.26 -0.04 0.97 0.72 3hr6A1 VAL 221 HG23 0.11 -0.01 -0.21 -0.04 0.95 0.80 3hr6A1 ALA 222 H 0.03 0.69 0.23 -0.55 8.40 8.80 3hr6A1 ALA 222 HA 0.05 0.22 0.92 -0.75 4.34 4.77 3hr6A1 ALA 222 HB3 0.03 -0.01 0.05 -0.04 1.41 1.44 3hr6A1 THR 223 H 0.07 0.72 0.29 -0.55 8.28 8.81 3hr6A1 THR 223 HA 0.08 0.09 0.87 -0.75 4.39 4.68 3hr6A1 THR 223 HB 0.17 0.00 0.12 -0.04 4.32 4.58 3hr6A1 THR 223 HG23 0.22 0.04 -0.15 -0.04 1.22 1.29 3hr6A1 LYS 224 H 0.08 0.17 0.08 -0.55 8.42 8.19 3hr6A1 LYS 224 HA 0.06 0.22 0.59 -0.75 4.32 4.43 3hr6A1 LYS 224 HB2 0.08 -0.06 0.05 -0.04 1.87 1.89 3hr6A1 LYS 224 HB3 0.07 0.04 -0.12 -0.04 1.79 1.74 3hr6A1 LYS 224 HG2 0.04 0.08 -0.16 -0.04 1.46 1.38 3hr6A1 LYS 224 HG3 0.05 -0.05 -0.11 -0.04 1.46 1.30 3hr6A1 LYS 224 HD2 0.04 -0.03 -0.06 -0.04 1.69 1.61 3hr6A1 LYS 224 HD3 0.04 0.03 -0.05 -0.04 1.68 1.66 3hr6A1 LYS 224 HE2 0.03 -0.03 -0.08 -0.04 2.99 2.87 3hr6A1 LYS 224 HE3 0.03 -0.02 -0.05 -0.04 2.99 2.91 3hr6A1 ILE 225 H 0.03 0.69 0.24 -0.55 8.25 8.66 3hr6A1 ILE 225 HA 0.02 0.14 0.72 -0.75 4.18 4.30 3hr6A1 ILE 225 HB 0.01 0.04 0.09 -0.04 1.89 1.98 3hr6A1 ILE 225 HG12 -0.09 0.11 -0.08 -0.04 1.49 1.39 3hr6A1 ILE 225 HG13 -0.19 -0.02 -0.08 -0.04 1.21 0.88 3hr6A1 ILE 225 HG23 -0.11 0.06 -0.19 -0.04 0.93 0.65 3hr6A1 ILE 225 HD13 -0.58 -0.01 -0.15 -0.04 0.88 0.10 3hr6A1 PRO 226 HA 0.12 0.00 0.48 -0.51 4.44 4.54 3hr6A1 PRO 226 HB2 0.15 0.12 -0.10 -0.04 2.28 2.40 3hr6A1 PRO 226 HB3 0.17 0.12 0.14 -0.04 2.02 2.40 3hr6A1 PRO 226 HG2 0.47 -0.04 -0.09 -0.04 2.03 2.33 3hr6A1 PRO 226 HG3 0.36 0.04 -0.02 -0.04 2.03 2.36 3hr6A1 PRO 226 HD2 0.36 0.03 0.18 -0.04 3.68 4.21 3hr6A1 PRO 226 HD3 0.31 0.23 0.22 -0.04 3.65 4.37 3hr6A1 GLU 227 H 0.08 0.10 0.16 -0.55 8.60 8.39 3hr6A1 GLU 227 HA 0.07 0.11 0.79 -0.75 4.29 4.50 3hr6A1 GLU 227 HB2 0.04 -0.02 0.11 -0.04 2.09 2.18 3hr6A1 GLU 227 HB3 0.03 -0.04 0.12 -0.04 1.99 2.06 3hr6A1 GLU 227 HG2 0.00 0.07 -0.24 -0.04 2.34 2.13 3hr6A1 GLU 227 HG3 0.02 0.04 0.07 -0.04 2.34 2.42 3hr6A1 ILE 228 H -0.03 0.18 0.11 -0.55 8.25 7.97 3hr6A1 ILE 228 HA -0.06 0.18 0.81 -0.75 4.18 4.35 3hr6A1 ILE 228 HB -0.23 -0.03 0.00 -0.04 1.89 1.60 3hr6A1 ILE 228 HG12 -0.22 -0.03 -0.00 -0.04 1.49 1.20 3hr6A1 ILE 228 HG13 -0.17 0.17 -0.32 -0.04 1.21 0.85 3hr6A1 ILE 228 HG23 -0.44 0.04 -0.23 -0.04 0.93 0.26 3hr6A1 ILE 228 HD13 -0.74 0.01 -0.30 -0.04 0.88 -0.19 3hr6A1 ALA 229 H -0.06 0.14 0.06 -0.55 8.40 7.99 3hr6A1 ALA 229 HA -0.03 0.01 0.38 -0.75 4.34 3.95 3hr6A1 ALA 229 HB3 -0.03 0.03 0.10 -0.04 1.41 1.46 3hr6A1 SER 230 H -0.02 0.10 0.17 -0.55 8.46 8.17 3hr6A1 SER 230 HA -0.02 0.00 0.44 -0.75 4.49 4.16 3hr6A1 SER 230 HB2 -0.01 0.00 0.02 -0.04 3.95 3.92 3hr6A1 SER 230 HB3 -0.01 0.00 0.14 -0.04 3.93 4.02 3hr6A1 ASN 231 H -0.01 0.15 0.19 -0.55 8.53 8.31 3hr6A1 ASN 231 HA -0.01 0.02 0.34 -0.75 4.76 4.36 3hr6A1 ASN 231 HB2 -0.01 0.15 -0.03 -0.04 2.88 2.95 3hr6A1 ASN 231 HB3 -0.00 -0.02 0.17 -0.04 2.79 2.90 3hr6A1 ASN 231 HD21 -0.00 0.01 0.02 -0.04 7.03 7.01 3hr6A1 ASN 231 HD22 -0.00 0.05 0.09 -0.04 7.74 7.83 3hr6A1 THR 232 H -0.03 0.42 -0.54 -0.55 8.28 7.58 3hr6A1 THR 232 HA -0.02 0.13 0.86 -0.75 4.39 4.61 3hr6A1 THR 232 HB -0.05 -0.01 0.09 -0.04 4.32 4.32 3hr6A1 THR 232 HG23 -0.02 0.02 -0.06 -0.04 1.22 1.11 3hr6A1 LYS 233 H -0.02 0.18 0.12 -0.55 8.42 8.15 3hr6A1 LYS 233 HA -0.02 0.14 0.87 -0.75 4.32 4.56 3hr6A1 LYS 233 HB2 0.04 -0.01 -0.02 -0.04 1.87 1.83 3hr6A1 LYS 233 HB3 0.07 0.05 0.04 -0.04 1.79 1.92 3hr6A1 LYS 233 HG2 0.01 -0.05 -0.47 -0.04 1.46 0.91 3hr6A1 LYS 233 HG3 0.03 -0.03 -0.07 -0.04 1.46 1.35 3hr6A1 LYS 233 HD2 0.06 -0.04 0.10 -0.04 1.69 1.76 3hr6A1 LYS 233 HD3 0.05 0.01 0.07 -0.04 1.68 1.77 3hr6A1 LYS 233 HE2 0.02 0.00 -0.12 -0.04 2.99 2.85 3hr6A1 LYS 233 HE3 0.02 -0.06 -0.07 -0.04 2.99 2.85 3hr6A1 PHE 234 H 0.20 0.11 0.08 -0.55 8.34 8.18 3hr6A1 PHE 234 HA 0.07 0.08 0.62 -0.75 4.62 4.64 3hr6A1 PHE 234 HB2 0.05 0.03 0.05 -0.04 3.15 3.24 3hr6A1 PHE 234 HB3 0.13 0.06 -0.03 -0.04 3.06 3.17 3hr6A1 PHE 234 HD2 0.11 -0.03 0.01 -0.04 7.28 7.34 3hr6A1 PHE 234 HE2 0.11 0.02 -0.19 -0.04 7.38 7.29 3hr6A1 PHE 234 HZ 0.04 0.21 -0.07 -0.04 7.32 7.46 3hr6A1 GLU 235 H 0.18 0.22 0.21 -0.55 8.60 8.66 3hr6A1 GLU 235 HA 0.08 0.06 0.50 -0.75 4.29 4.18 3hr6A1 GLU 235 HB2 0.08 0.31 0.19 -0.04 2.09 2.62 3hr6A1 GLU 235 HB3 0.05 -0.10 0.08 -0.04 1.99 1.97 3hr6A1 GLU 235 HG2 0.06 -0.06 0.06 -0.04 2.34 2.36 3hr6A1 GLU 235 HG3 0.06 0.03 0.13 -0.04 2.34 2.51 3hr6A1 GLY 236 H 0.23 0.29 -0.16 -0.55 8.43 8.24 3hr6A1 GLY 236 HA2 0.10 0.13 0.22 -0.51 4.01 3.95 3hr6A1 GLY 236 HA3 0.05 -0.05 0.09 -0.51 4.01 3.58 3hr6A1 PHE 237 H 0.09 0.26 -0.09 -0.55 8.34 8.05 3hr6A1 PHE 237 HA -0.05 0.19 0.78 -0.75 4.62 4.79 3hr6A1 PHE 237 HB2 -0.19 -0.02 -0.38 -0.04 3.15 2.52 3hr6A1 PHE 237 HB3 -0.12 -0.10 0.09 -0.04 3.06 2.90 3hr6A1 PHE 237 HD2 -0.20 0.00 -0.05 -0.04 7.28 6.99 3hr6A1 PHE 237 HE2 -0.08 -0.01 -0.07 -0.04 7.38 7.19 3hr6A1 PHE 237 HZ -0.04 0.11 -0.09 -0.04 7.32 7.26 3hr6A1 THR 238 H -0.26 0.72 0.42 -0.55 8.28 8.62 3hr6A1 THR 238 HA 0.04 0.32 1.24 -0.75 4.39 5.24 3hr6A1 THR 238 HB -0.15 -0.02 0.24 -0.04 4.32 4.34 3hr6A1 THR 238 HG23 0.22 -0.02 -0.17 -0.04 1.22 1.21 3hr6A1 VAL 239 H 0.09 0.71 0.40 -0.55 8.24 8.89 3hr6A1 VAL 239 HA 0.13 0.33 1.08 -0.75 4.13 4.93 3hr6A1 VAL 239 HB 0.10 -0.06 0.17 -0.04 2.12 2.29 3hr6A1 VAL 239 HG13 0.11 -0.00 -0.13 -0.04 0.97 0.90 3hr6A1 VAL 239 HG23 0.10 -0.00 -0.12 -0.04 0.95 0.89 3hr6A1 ALA 240 H 0.27 0.65 0.35 -0.55 8.40 9.12 3hr6A1 ALA 240 HA 0.05 0.35 1.22 -0.75 4.34 5.21 3hr6A1 ALA 240 HB3 0.04 -0.02 -0.02 -0.04 1.41 1.37 3hr6A1 ASP 241 H -0.11 0.62 0.32 -0.55 8.40 8.68 3hr6A1 ASP 241 HA 0.07 0.17 0.97 -0.75 4.63 5.08 3hr6A1 ASP 241 HB2 0.04 -0.03 -0.20 -0.04 2.71 2.48 3hr6A1 ASP 241 HB3 -0.15 -0.05 0.11 -0.04 2.70 2.57 3hr6A1 LYS 242 H -0.02 0.23 0.10 -0.55 8.42 8.19 3hr6A1 LYS 242 HA -0.15 0.13 0.87 -0.75 4.32 4.42 3hr6A1 LYS 242 HB2 -0.20 -0.10 0.05 -0.04 1.87 1.59 3hr6A1 LYS 242 HB3 -0.07 -0.00 0.16 -0.04 1.79 1.83 3hr6A1 LYS 242 HG2 -0.07 0.12 -0.17 -0.04 1.46 1.29 3hr6A1 LYS 242 HG3 -0.12 0.01 -0.16 -0.04 1.46 1.14 3hr6A1 LYS 242 HD2 -0.18 -0.13 -0.06 -0.04 1.69 1.28 3hr6A1 LYS 242 HD3 -0.10 0.01 -0.04 -0.04 1.68 1.50 3hr6A1 LYS 242 HE2 -0.07 0.01 -0.05 -0.04 2.99 2.84 3hr6A1 LYS 242 HE3 -0.09 0.02 -0.05 -0.04 2.99 2.83 3hr6A1 LEU 243 H -0.08 0.64 0.30 -0.55 8.37 8.68 3hr6A1 LEU 243 HA 0.02 -0.00 0.36 -0.75 4.35 3.97 3hr6A1 LEU 243 HB2 -0.02 0.02 0.16 -0.04 1.64 1.77 3hr6A1 LEU 243 HB3 0.06 0.08 -0.01 -0.04 1.64 1.73 3hr6A1 LEU 243 HG 0.26 -0.06 -0.04 -0.04 1.64 1.76 3hr6A1 LEU 243 HD13 -0.19 -0.02 -0.04 -0.04 0.93 0.64 3hr6A1 LEU 243 HD23 0.11 -0.02 -0.07 -0.04 0.89 0.86 3hr6A1 PRO 244 HA -0.00 0.09 0.61 -0.51 4.44 4.63 3hr6A1 PRO 244 HB2 0.01 -0.19 0.09 -0.04 2.28 2.16 3hr6A1 PRO 244 HB3 0.02 0.21 0.28 -0.04 2.02 2.49 3hr6A1 PRO 244 HG2 0.07 -0.06 -0.00 -0.04 2.03 2.00 3hr6A1 PRO 244 HG3 0.07 0.05 -0.10 -0.04 2.03 2.00 3hr6A1 PRO 244 HD2 0.09 0.04 0.17 -0.04 3.68 3.94 3hr6A1 PRO 244 HD3 -0.01 0.16 0.24 -0.04 3.65 3.99 3hr6A1 ALA 245 H -0.01 0.10 0.21 -0.55 8.40 8.15 3hr6A1 ALA 245 HA -0.01 0.26 0.37 -0.75 4.34 4.20 3hr6A1 ALA 245 HB3 -0.02 -0.02 0.10 -0.04 1.41 1.43 3hr6A1 GLU 246 H -0.02 -0.00 -0.34 -0.55 8.60 7.70 3hr6A1 GLU 246 HA -0.03 0.09 0.44 -0.75 4.29 4.03 3hr6A1 GLU 246 HB2 -0.06 -0.01 -0.01 -0.04 2.09 1.96 3hr6A1 GLU 246 HB3 -0.10 0.14 0.13 -0.04 1.99 2.12 3hr6A1 GLU 246 HG2 -0.12 -0.00 -0.27 -0.04 2.34 1.91 3hr6A1 GLU 246 HG3 -0.05 0.02 -0.18 -0.04 2.34 2.08 3hr6A1 LEU 247 H 0.01 0.47 -0.37 -0.55 8.37 7.93 3hr6A1 LEU 247 HA 0.02 0.23 1.11 -0.75 4.35 4.95 3hr6A1 LEU 247 HB2 0.06 0.07 0.00 -0.04 1.64 1.73 3hr6A1 LEU 247 HB3 0.06 0.04 -0.07 -0.04 1.64 1.63 3hr6A1 LEU 247 HG 0.07 -0.10 -0.11 -0.04 1.64 1.46 3hr6A1 LEU 247 HD13 0.24 -0.02 -0.11 -0.04 0.93 1.00 3hr6A1 LEU 247 HD23 0.02 -0.00 -0.23 -0.04 0.89 0.63 3hr6A1 GLY 248 H 0.02 0.48 0.22 -0.55 8.43 8.60 3hr6A1 GLY 248 HA2 0.00 0.10 0.56 -0.51 4.01 4.17 3hr6A1 GLY 248 HA3 0.01 -0.03 0.35 -0.51 4.01 3.83 3hr6A1 LYS 249 H 0.00 0.04 0.12 -0.55 8.42 8.03 3hr6A1 LYS 249 HA -0.01 0.13 0.41 -0.75 4.32 4.10 3hr6A1 LYS 249 HB2 -0.00 -0.07 0.09 -0.04 1.87 1.85 3hr6A1 LYS 249 HB3 -0.01 0.08 0.02 -0.04 1.79 1.84 3hr6A1 LYS 249 HG2 -0.03 0.03 -0.04 -0.04 1.46 1.39 3hr6A1 LYS 249 HG3 -0.01 -0.03 0.01 -0.04 1.46 1.39 3hr6A1 LYS 249 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.62 3hr6A1 LYS 249 HD3 -0.02 0.00 -0.03 -0.04 1.68 1.60 3hr6A1 LYS 249 HE2 -0.01 -0.02 -0.05 -0.04 2.99 2.88 3hr6A1 LYS 249 HE3 -0.02 0.01 -0.09 -0.04 2.99 2.85 3hr6A1 PRO 250 HA 0.09 0.29 0.64 -0.51 4.44 4.95 3hr6A1 PRO 250 HB2 -0.02 -0.07 -0.15 -0.04 2.28 2.00 3hr6A1 PRO 250 HB3 0.09 0.07 0.02 -0.04 2.02 2.16 3hr6A1 PRO 250 HG2 -0.18 -0.00 0.00 -0.04 2.03 1.81 3hr6A1 PRO 250 HG3 -0.11 0.09 0.02 -0.04 2.03 1.99 3hr6A1 PRO 250 HD2 -0.05 0.03 0.13 -0.04 3.68 3.75 3hr6A1 PRO 250 HD3 -0.05 0.14 0.19 -0.04 3.65 3.89 3hr6A1 ASP 251 H 0.06 0.33 0.17 -0.55 8.40 8.42 3hr6A1 ASP 251 HA 0.02 0.08 0.56 -0.75 4.63 4.53 3hr6A1 ASP 251 HB2 0.02 0.09 0.08 -0.04 2.71 2.86 3hr6A1 ASP 251 HB3 0.03 -0.01 0.16 -0.04 2.70 2.84 3hr6A1 THR 252 H 0.01 0.18 0.20 -0.55 8.28 8.13 3hr6A1 THR 252 HA 0.01 0.11 0.16 -0.75 4.39 3.92 3hr6A1 THR 252 HB 0.01 0.00 0.13 -0.04 4.32 4.41 3hr6A1 THR 252 HG23 -0.00 0.02 0.05 -0.04 1.22 1.25 3hr6A1 ASN 253 H 0.01 0.06 -0.31 -0.55 8.53 7.74 3hr6A1 ASN 253 HA 0.01 0.18 0.52 -0.75 4.76 4.72 3hr6A1 ASN 253 HB2 0.01 -0.02 0.00 -0.04 2.88 2.84 3hr6A1 ASN 253 HB3 0.01 0.05 0.11 -0.04 2.79 2.92 3hr6A1 ASN 253 HD21 0.01 0.02 -0.00 -0.04 7.03 7.01 3hr6A1 ASN 253 HD22 0.01 0.01 0.00 -0.04 7.74 7.72 3hr6A1 LYS 254 H 0.03 0.41 -0.42 -0.55 8.42 7.89 3hr6A1 LYS 254 HA 0.02 0.22 0.79 -0.75 4.32 4.59 3hr6A1 LYS 254 HB2 0.03 -0.01 0.10 -0.04 1.87 1.95 3hr6A1 LYS 254 HB3 0.02 -0.02 0.13 -0.04 1.79 1.88 3hr6A1 LYS 254 HG2 0.01 0.11 -0.13 -0.04 1.46 1.41 3hr6A1 LYS 254 HG3 0.01 -0.14 -0.30 -0.04 1.46 0.99 3hr6A1 LYS 254 HD2 0.01 -0.05 -0.04 -0.04 1.69 1.56 3hr6A1 LYS 254 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.62 3hr6A1 LYS 254 HE2 -0.01 0.02 -0.05 -0.04 2.99 2.92 3hr6A1 LYS 254 HE3 0.00 0.04 -0.06 -0.04 2.99 2.93 3hr6A1 ILE 255 H 0.04 0.24 -0.14 -0.55 8.25 7.84 3hr6A1 ILE 255 HA 0.13 0.30 0.99 -0.75 4.18 4.84 3hr6A1 ILE 255 HB 0.03 0.02 0.14 -0.04 1.89 2.04 3hr6A1 ILE 255 HG12 0.06 -0.01 -0.04 -0.04 1.49 1.46 3hr6A1 ILE 255 HG13 0.05 0.05 -0.09 -0.04 1.21 1.18 3hr6A1 ILE 255 HG23 0.04 -0.01 -0.12 -0.04 0.93 0.80 3hr6A1 ILE 255 HD13 -0.03 -0.01 -0.11 -0.04 0.88 0.69 3hr6A1 THR 256 H 0.09 0.64 0.37 -0.55 8.28 8.83 3hr6A1 THR 256 HA 0.03 0.19 0.97 -0.75 4.39 4.83 3hr6A1 THR 256 HB 0.02 -0.02 -0.04 -0.04 4.32 4.24 3hr6A1 THR 256 HG23 0.02 0.03 -0.32 -0.04 1.22 0.91 3hr6A1 VAL 257 H 0.02 0.26 0.16 -0.55 8.24 8.13 3hr6A1 VAL 257 HA 0.04 0.37 1.07 -0.75 4.13 4.85 3hr6A1 VAL 257 HB 0.02 -0.06 0.05 -0.04 2.12 2.09 3hr6A1 VAL 257 HG13 0.02 -0.00 -0.20 -0.04 0.97 0.75 3hr6A1 VAL 257 HG23 0.04 0.00 -0.26 -0.04 0.95 0.69 3hr6A1 THR 258 H 0.02 0.62 0.30 -0.55 8.28 8.67 3hr6A1 THR 258 HA -0.00 0.29 0.82 -0.75 4.39 4.75 3hr6A1 THR 258 HB 0.00 -0.03 -0.31 -0.04 4.32 3.95 3hr6A1 THR 258 HG23 0.01 0.01 -0.37 -0.04 1.22 0.83 3hr6A1 LEU 259 H -0.03 0.81 0.18 -0.55 8.37 8.78 3hr6A1 LEU 259 HA -0.05 0.25 0.96 -0.75 4.35 4.76 3hr6A1 LEU 259 HB2 -0.13 -0.03 -0.06 -0.04 1.64 1.37 3hr6A1 LEU 259 HB3 -0.14 0.03 0.09 -0.04 1.64 1.57 3hr6A1 LEU 259 HG -0.24 0.02 -0.20 -0.04 1.64 1.18 3hr6A1 LEU 259 HD13 -0.16 0.02 -0.13 -0.04 0.93 0.62 3hr6A1 LEU 259 HD23 -0.60 -0.01 -0.08 -0.04 0.89 0.17 3hr6A1 GLY 260 H 0.01 0.64 0.23 -0.55 8.43 8.76 3hr6A1 GLY 260 HA2 0.04 -0.03 0.39 -0.51 4.01 3.90 3hr6A1 GLY 260 HA3 0.07 0.11 0.44 -0.51 4.01 4.12 3hr6A1 GLY 261 H 0.01 0.08 -0.28 -0.55 8.43 7.70 3hr6A1 GLY 261 HA2 0.01 -0.02 0.16 -0.51 4.01 3.65 3hr6A1 GLY 261 HA3 0.01 0.09 0.42 -0.51 4.01 4.02 3hr6A1 LYS 262 H 0.01 0.42 -0.58 -0.55 8.42 7.71 3hr6A1 LYS 262 HA 0.01 0.19 0.89 -0.75 4.32 4.65 3hr6A1 LYS 262 HB2 0.02 0.11 0.08 -0.04 1.87 2.04 3hr6A1 LYS 262 HB3 0.01 0.07 0.03 -0.04 1.79 1.85 3hr6A1 LYS 262 HG2 0.02 -0.03 -0.02 -0.04 1.46 1.39 3hr6A1 LYS 262 HG3 0.03 0.10 -0.14 -0.04 1.46 1.40 3hr6A1 LYS 262 HD2 0.06 0.02 0.01 -0.04 1.69 1.73 3hr6A1 LYS 262 HD3 0.03 -0.04 0.00 -0.04 1.68 1.63 3hr6A1 LYS 262 HE2 0.02 -0.03 -0.00 -0.04 2.99 2.94 3hr6A1 LYS 262 HE3 0.03 0.05 0.01 -0.04 2.99 3.05 3hr6A1 PRO 263 HA -0.00 0.21 0.63 -0.51 4.44 4.77 3hr6A1 PRO 263 HB2 0.00 0.03 0.06 -0.04 2.28 2.34 3hr6A1 PRO 263 HB3 0.00 0.03 0.14 -0.04 2.02 2.15 3hr6A1 PRO 263 HG2 0.00 -0.01 0.04 -0.04 2.03 2.02 3hr6A1 PRO 263 HG3 0.01 0.03 0.08 -0.04 2.03 2.10 3hr6A1 PRO 263 HD2 0.01 0.08 0.24 -0.04 3.68 3.96 3hr6A1 PRO 263 HD3 0.01 0.17 0.21 -0.04 3.65 3.99 3hr6A1 ILE 264 H -0.01 0.24 0.19 -0.55 8.25 8.12 3hr6A1 ILE 264 HA -0.03 0.17 0.83 -0.75 4.18 4.40 3hr6A1 ILE 264 HB -0.02 0.02 -0.08 -0.04 1.89 1.77 3hr6A1 ILE 264 HG12 -0.07 0.06 -0.16 -0.04 1.49 1.27 3hr6A1 ILE 264 HG13 -0.03 0.04 -0.21 -0.04 1.21 0.96 3hr6A1 ILE 264 HG23 -0.04 0.02 -0.13 -0.04 0.93 0.74 3hr6A1 ILE 264 HD13 -0.06 -0.00 -0.24 -0.04 0.88 0.54 3hr6A1 ASN 265 H -0.02 0.14 0.09 -0.55 8.53 8.20 3hr6A1 ASN 265 HA -0.00 0.07 0.44 -0.75 4.76 4.52 3hr6A1 ASN 265 HB2 -0.01 -0.03 0.19 -0.04 2.88 2.99 3hr6A1 ASN 265 HB3 -0.00 -0.09 0.07 -0.04 2.79 2.72 3hr6A1 ASN 265 HD21 0.01 0.07 0.03 -0.04 7.03 7.10 3hr6A1 ASN 265 HD22 0.00 -0.11 0.05 -0.04 7.74 7.65 3hr6A1 SER 266 H 0.00 0.16 0.28 -0.55 8.46 8.36 3hr6A1 SER 266 HA 0.00 0.12 0.32 -0.75 4.49 4.18 3hr6A1 SER 266 HB2 0.01 0.07 0.17 -0.04 3.95 4.15 3hr6A1 SER 266 HB3 0.01 0.05 0.21 -0.04 3.93 4.15 3hr6A1 THR 267 H 0.00 -0.00 -0.25 -0.55 8.28 7.48 3hr6A1 THR 267 HA 0.01 0.15 0.44 -0.75 4.39 4.23 3hr6A1 THR 267 HB 0.00 0.04 0.07 -0.04 4.32 4.40 3hr6A1 THR 267 HG23 0.00 -0.00 0.04 -0.04 1.22 1.22 3hr6A1 ASP 268 H 0.00 0.42 -0.37 -0.55 8.40 7.90 3hr6A1 ASP 268 HA 0.01 0.06 0.47 -0.75 4.63 4.41 3hr6A1 ASP 268 HB2 -0.01 0.17 0.08 -0.04 2.71 2.91 3hr6A1 ASP 268 HB3 -0.01 0.05 0.13 -0.04 2.70 2.83 3hr6A1 VAL 269 H 0.00 0.32 -0.28 -0.55 8.24 7.73 3hr6A1 VAL 269 HA 0.01 0.30 0.94 -0.75 4.13 4.63 3hr6A1 VAL 269 HB 0.01 0.01 0.08 -0.04 2.12 2.18 3hr6A1 VAL 269 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.75 3hr6A1 VAL 269 HG23 -0.01 0.01 -0.22 -0.04 0.95 0.70 3hr6A1 SER 270 H 0.03 0.63 0.27 -0.55 8.46 8.84 3hr6A1 SER 270 HA 0.02 0.14 0.86 -0.75 4.49 4.76 3hr6A1 SER 270 HB2 0.02 0.03 -0.03 -0.04 3.95 3.93 3hr6A1 SER 270 HB3 0.03 -0.02 0.14 -0.04 3.93 4.04 3hr6A1 VAL 271 H 0.02 0.23 0.13 -0.55 8.24 8.07 3hr6A1 VAL 271 HA 0.02 0.30 1.02 -0.75 4.13 4.72 3hr6A1 VAL 271 HB 0.01 -0.02 0.17 -0.04 2.12 2.23 3hr6A1 VAL 271 HG13 -0.01 -0.00 -0.08 -0.04 0.97 0.83 3hr6A1 VAL 271 HG23 0.02 0.02 -0.12 -0.04 0.95 0.82 3hr6A1 GLN 272 H 0.02 0.75 0.41 -0.55 8.47 9.10 3hr6A1 GLN 272 HA 0.04 0.00 0.92 -0.75 4.36 4.56 3hr6A1 GLN 272 HB2 0.17 0.00 -0.04 -0.04 2.15 2.25 3hr6A1 GLN 272 HB3 0.15 0.00 0.02 -0.04 2.02 2.15 3hr6A1 GLN 272 HG2 0.05 0.02 -0.13 -0.04 2.40 2.30 3hr6A1 GLN 272 HG3 0.06 -0.07 -0.60 -0.04 2.39 1.74 3hr6A1 GLN 272 HE21 0.01 0.02 -0.09 -0.04 6.97 6.87 3hr6A1 GLN 272 HE22 0.03 -0.01 -0.06 -0.04 7.69 7.61 3hr6A1 THR 273 H 0.03 0.22 0.23 -0.55 8.28 8.21 3hr6A1 THR 273 HA -0.22 0.45 0.96 -0.75 4.39 4.82 3hr6A1 THR 273 HB -0.12 0.04 0.09 -0.04 4.32 4.28 3hr6A1 THR 273 HG23 -0.11 -0.01 -0.05 -0.04 1.22 1.00 3hr6A1 TYR 274 H -0.49 0.64 0.34 -0.55 8.29 8.23 3hr6A1 TYR 274 HA -0.02 0.08 0.49 -0.75 4.56 4.36 3hr6A1 TYR 274 HB2 -0.03 0.06 0.01 -0.04 3.06 3.07 3hr6A1 TYR 274 HB3 -0.02 0.07 0.09 -0.04 2.98 3.07 3hr6A1 TYR 274 HD2 -0.03 0.02 -0.42 -0.04 7.15 6.68 3hr6A1 TYR 274 HE2 -0.03 0.05 -0.30 -0.04 6.85 6.53 3hr6A1 GLN 275 H 0.09 0.14 0.15 -0.55 8.47 8.29 3hr6A1 GLN 275 HA -0.02 0.21 0.69 -0.75 4.36 4.48 3hr6A1 GLN 275 HB2 0.02 -0.07 0.12 -0.04 2.15 2.19 3hr6A1 GLN 275 HB3 0.00 0.18 -0.08 -0.04 2.02 2.08 3hr6A1 GLN 275 HG2 0.01 -0.07 -0.04 -0.04 2.40 2.25 3hr6A1 GLN 275 HG3 -0.00 0.01 -0.05 -0.04 2.39 2.31 3hr6A1 GLN 275 HE21 -0.02 -0.01 -0.38 -0.04 6.97 6.52 3hr6A1 GLN 275 HE22 -0.01 0.07 -0.21 -0.04 7.69 7.49 3hr6A1 VAL 276 H -0.03 0.84 0.23 -0.55 8.24 8.74 3hr6A1 VAL 276 HA 0.01 0.11 0.75 -0.75 4.13 4.25 3hr6A1 VAL 276 HB -0.04 0.03 0.12 -0.04 2.12 2.18 3hr6A1 VAL 276 HG13 -0.04 -0.02 -0.12 -0.04 0.97 0.75 3hr6A1 VAL 276 HG23 0.07 -0.00 -0.18 -0.04 0.95 0.79 3hr6A1 GLY 277 H -0.01 0.14 0.02 -0.55 8.43 8.03 3hr6A1 GLY 277 HA2 -0.01 0.04 0.30 -0.51 4.01 3.83 3hr6A1 GLY 277 HA3 -0.02 0.01 0.53 -0.51 4.01 4.02 3hr6A1 ASP 278 H -0.02 0.13 0.18 -0.55 8.40 8.14 3hr6A1 ASP 278 HA -0.01 0.17 0.61 -0.75 4.63 4.64 3hr6A1 ASP 278 HB2 -0.01 0.05 0.19 -0.04 2.71 2.90 3hr6A1 ASP 278 HB3 -0.01 -0.04 0.06 -0.04 2.70 2.66 3hr6A1 ARG 279 H -0.03 0.42 -0.38 -0.55 8.46 7.91 3hr6A1 ARG 279 HA -0.03 0.25 0.89 -0.75 4.34 4.70 3hr6A1 ARG 279 HB2 -0.05 -0.02 0.03 -0.04 1.90 1.82 3hr6A1 ARG 279 HB3 -0.05 0.25 -0.07 -0.04 1.80 1.88 3hr6A1 ARG 279 HG2 -0.02 0.04 -0.13 -0.04 1.67 1.52 3hr6A1 ARG 279 HG3 -0.02 -0.18 -0.46 -0.04 1.67 0.97 3hr6A1 ARG 279 HD2 -0.02 -0.13 -0.00 -0.04 3.22 3.03 3hr6A1 ARG 279 HD3 -0.03 -0.04 -0.04 -0.04 3.22 3.07 3hr6A1 THR 280 H -0.05 0.28 0.06 -0.55 8.28 8.03 3hr6A1 THR 280 HA -0.10 0.12 0.76 -0.75 4.39 4.41 3hr6A1 THR 280 HB -0.07 0.03 0.05 -0.04 4.32 4.28 3hr6A1 THR 280 HG23 -0.13 -0.02 -0.19 -0.04 1.22 0.85 3hr6A1 VAL 281 H -0.30 0.73 0.39 -0.55 8.24 8.50 3hr6A1 VAL 281 HA -0.27 0.27 1.12 -0.75 4.13 4.50 3hr6A1 VAL 281 HB -1.18 -0.04 0.12 -0.04 2.12 0.97 3hr6A1 VAL 281 HG13 -0.36 0.02 -0.23 -0.04 0.97 0.37 3hr6A1 VAL 281 HG23 -0.19 -0.01 -0.06 -0.04 0.95 0.65 3hr6A1 LEU 282 H -0.28 0.67 0.37 -0.55 8.37 8.58 3hr6A1 LEU 282 HA -0.26 0.22 1.02 -0.75 4.35 4.58 3hr6A1 LEU 282 HB2 -0.42 -0.01 0.07 -0.04 1.64 1.24 3hr6A1 LEU 282 HB3 -0.46 -0.00 0.18 -0.04 1.64 1.32 3hr6A1 LEU 282 HG -0.24 0.01 -0.34 -0.04 1.64 1.03 3hr6A1 LEU 282 HD13 -0.16 0.02 -0.02 -0.04 0.93 0.73 3hr6A1 LEU 282 HD23 -0.84 -0.01 -0.12 -0.04 0.89 -0.12 3hr6A1 SER 283 H -0.09 0.69 0.39 -0.55 8.46 8.90 3hr6A1 SER 283 HA 0.03 0.26 1.14 -0.75 4.49 5.17 3hr6A1 SER 283 HB2 0.15 -0.01 -0.18 -0.04 3.95 3.87 3hr6A1 SER 283 HB3 0.16 -0.08 0.07 -0.04 3.93 4.04 3hr6A1 VAL 284 H 0.07 0.72 0.40 -0.55 8.24 8.89 3hr6A1 VAL 284 HA 0.04 0.26 0.95 -0.75 4.13 4.63 3hr6A1 VAL 284 HB 0.06 -0.02 0.17 -0.04 2.12 2.30 3hr6A1 VAL 284 HG13 0.05 -0.01 -0.23 -0.04 0.97 0.74 3hr6A1 VAL 284 HG23 0.02 -0.01 -0.15 -0.04 0.95 0.77 3hr6A1 GLN 285 H 0.05 0.41 0.29 -0.55 8.47 8.66 3hr6A1 GLN 285 HA 0.07 0.32 1.16 -0.75 4.36 5.15 3hr6A1 GLN 285 HB2 0.06 -0.02 -0.13 -0.04 2.15 2.02 3hr6A1 GLN 285 HB3 0.04 -0.07 0.11 -0.04 2.02 2.06 3hr6A1 GLN 285 HG2 0.03 0.00 -0.20 -0.04 2.40 2.20 3hr6A1 GLN 285 HG3 0.03 0.03 -0.01 -0.04 2.39 2.40 3hr6A1 GLN 285 HE21 0.02 0.14 -0.10 -0.04 6.97 6.99 3hr6A1 GLN 285 HE22 0.03 -0.01 -0.03 -0.04 7.69 7.64 3hr6A1 LEU 286 H 0.09 0.64 0.36 -0.55 8.37 8.91 3hr6A1 LEU 286 HA 0.02 0.26 0.98 -0.75 4.35 4.85 3hr6A1 LEU 286 HB2 0.03 -0.02 0.05 -0.04 1.64 1.66 3hr6A1 LEU 286 HB3 -0.03 -0.06 -0.13 -0.04 1.64 1.38 3hr6A1 LEU 286 HG 0.08 0.05 -0.11 -0.04 1.64 1.61 3hr6A1 LEU 286 HD13 -0.17 -0.00 -0.13 -0.04 0.93 0.59 3hr6A1 LEU 286 HD23 -0.02 -0.00 -0.19 -0.04 0.89 0.64 3hr6A1 ALA 287 H 0.01 0.61 0.34 -0.55 8.40 8.81 3hr6A1 ALA 287 HA 0.03 0.15 0.73 -0.75 4.34 4.49 3hr6A1 ALA 287 HB3 0.02 0.02 -0.02 -0.04 1.41 1.38 3hr6A1 GLY 288 H 0.02 0.19 0.14 -0.55 8.43 8.23 3hr6A1 GLY 288 HA2 0.01 0.11 0.34 -0.51 4.01 3.97 3hr6A1 GLY 288 HA3 0.01 0.04 0.30 -0.51 4.01 3.85 3hr6A1 ALA 289 H 0.01 0.16 0.19 -0.55 8.40 8.21 3hr6A1 ALA 289 HA 0.02 0.08 0.29 -0.75 4.34 3.97 3hr6A1 ALA 289 HB3 0.01 0.02 0.10 -0.04 1.41 1.50 3hr6A1 THR 290 H -0.00 0.11 -0.05 -0.55 8.28 7.78 3hr6A1 THR 290 HA -0.03 0.07 0.31 -0.75 4.39 3.98 3hr6A1 THR 290 HB -0.03 0.17 0.04 -0.04 4.32 4.46 3hr6A1 THR 290 HG23 -0.11 0.02 -0.16 -0.04 1.22 0.93 3hr6A1 LEU 291 H -0.00 0.39 -0.54 -0.55 8.37 7.68 3hr6A1 LEU 291 HA -0.04 0.08 0.36 -0.75 4.35 4.00 3hr6A1 LEU 291 HB2 0.02 0.07 -0.44 -0.04 1.64 1.25 3hr6A1 LEU 291 HB3 0.03 -0.00 -0.21 -0.04 1.64 1.42 3hr6A1 LEU 291 HG 0.11 0.02 -0.38 -0.04 1.64 1.35 3hr6A1 LEU 291 HD13 0.10 -0.02 -0.26 -0.04 0.93 0.71 3hr6A1 LEU 291 HD23 0.07 0.06 -0.19 -0.04 0.89 0.79 3hr6A1 GLN 292 H 0.03 0.47 -0.23 -0.55 8.47 8.19 3hr6A1 GLN 292 HA 0.07 0.00 0.33 -0.75 4.36 4.00 3hr6A1 GLN 292 HB2 0.03 0.04 0.10 -0.04 2.15 2.28 3hr6A1 GLN 292 HB3 0.04 -0.02 -0.08 -0.04 2.02 1.93 3hr6A1 GLN 292 HG2 0.04 0.00 -0.02 -0.04 2.40 2.37 3hr6A1 GLN 292 HG3 0.03 -0.06 -0.05 -0.04 2.39 2.27 3hr6A1 GLN 292 HE21 0.03 0.01 -0.02 -0.04 6.97 6.94 3hr6A1 GLN 292 HE22 0.03 -0.02 -0.03 -0.04 7.69 7.63 3hr6A1 SER 293 H 0.04 0.48 -0.30 -0.55 8.46 8.14 3hr6A1 SER 293 HA 0.08 0.18 0.85 -0.75 4.49 4.85 3hr6A1 SER 293 HB2 0.10 -0.03 0.12 -0.04 3.95 4.10 3hr6A1 SER 293 HB3 0.06 -0.03 0.00 -0.04 3.93 3.93 3hr6A1 LEU 294 H 0.08 0.39 -0.42 -0.55 8.37 7.88 3hr6A1 LEU 294 HA 0.02 0.05 0.35 -0.75 4.35 4.02 3hr6A1 LEU 294 HB2 -0.16 0.15 0.17 -0.04 1.64 1.76 3hr6A1 LEU 294 HB3 -0.05 0.02 0.07 -0.04 1.64 1.63 3hr6A1 LEU 294 HG -0.57 -0.02 -0.06 -0.04 1.64 0.95 3hr6A1 LEU 294 HD13 -0.40 -0.01 -0.04 -0.04 0.93 0.43 3hr6A1 LEU 294 HD23 -1.33 -0.01 -0.08 -0.04 0.89 -0.57 3hr6A1 ASP 295 H 0.24 0.17 -0.26 -0.55 8.40 8.02 3hr6A1 ASP 295 HA 0.31 0.11 0.52 -0.75 4.63 4.81 3hr6A1 ASP 295 HB2 0.03 0.00 0.10 -0.04 2.71 2.80 3hr6A1 ASP 295 HB3 0.05 -0.01 0.09 -0.04 2.70 2.78 3hr6A1 GLN 296 H 0.14 0.53 -0.52 -0.55 8.47 8.07 3hr6A1 GLN 296 HA -0.01 0.14 0.87 -0.75 4.36 4.60 3hr6A1 GLN 296 HB2 -0.02 0.16 0.09 -0.04 2.15 2.34 3hr6A1 GLN 296 HB3 -0.10 -0.05 0.16 -0.04 2.02 1.99 3hr6A1 GLN 296 HG2 0.00 -0.00 -0.02 -0.04 2.40 2.34 3hr6A1 GLN 296 HG3 0.04 -0.07 -0.11 -0.04 2.39 2.21 3hr6A1 GLN 296 HE21 0.01 -0.03 0.00 -0.04 6.97 6.91 3hr6A1 GLN 296 HE22 0.01 -0.00 -0.00 -0.04 7.69 7.65 3hr6A1 HIS 297 H 0.16 0.52 -0.27 -0.55 8.41 8.28 3hr6A1 HIS 297 HA -0.00 0.18 0.75 -0.75 4.63 4.81 3hr6A1 HIS 297 HB2 -0.07 0.11 0.11 -0.04 3.26 3.38 3hr6A1 HIS 297 HB3 -0.04 -0.12 0.11 -0.04 3.20 3.11 3hr6A1 HIS 297 HD2 -0.02 0.22 -0.09 -0.04 6.97 7.04 3hr6A1 HIS 297 HE1 -0.01 -0.01 -0.06 -0.04 7.75 7.62 3hr6A1 LYS 298 H 0.04 0.13 -0.43 -0.55 8.42 7.61 3hr6A1 LYS 298 HA 0.09 0.14 0.09 -0.75 4.32 3.89 3hr6A1 LYS 298 HB2 0.06 -0.06 -0.04 -0.04 1.87 1.79 3hr6A1 LYS 298 HB3 0.07 0.07 0.05 -0.04 1.79 1.93 3hr6A1 LYS 298 HG2 0.01 0.00 -0.02 -0.04 1.46 1.41 3hr6A1 LYS 298 HG3 0.02 -0.01 -0.13 -0.04 1.46 1.30 3hr6A1 LYS 298 HD2 0.02 -0.05 0.01 -0.04 1.69 1.63 3hr6A1 LYS 298 HD3 0.02 0.08 0.05 -0.04 1.68 1.79 3hr6A1 LYS 298 HE2 0.00 -0.02 0.01 -0.04 2.99 2.95 3hr6A1 LYS 298 HE3 -0.00 0.03 0.00 -0.04 2.99 2.98 3hr6A1 ASP 299 H 0.07 0.80 0.28 -0.55 8.40 9.00 3hr6A1 ASP 299 HA 0.05 -0.00 0.36 -0.75 4.63 4.28 3hr6A1 ASP 299 HB2 0.03 0.17 -0.08 -0.04 2.71 2.78 3hr6A1 ASP 299 HB3 0.03 -0.06 0.14 -0.04 2.70 2.77 3hr6A1 GLN 300 H 0.05 0.52 -0.51 -0.55 8.47 7.98 3hr6A1 GLN 300 HA 0.03 0.06 0.69 -0.75 4.36 4.39 3hr6A1 GLN 300 HB2 0.08 0.14 0.04 -0.04 2.15 2.37 3hr6A1 GLN 300 HB3 0.06 -0.18 0.12 -0.04 2.02 1.97 3hr6A1 GLN 300 HG2 0.04 -0.04 0.01 -0.04 2.40 2.37 3hr6A1 GLN 300 HG3 0.05 0.20 -0.15 -0.04 2.39 2.44 3hr6A1 GLN 300 HE21 -0.10 -0.01 0.01 -0.04 6.97 6.83 3hr6A1 GLN 300 HE22 -0.03 0.04 -0.01 -0.04 7.69 7.65 3hr6A1 GLU 301 H 0.02 0.07 0.19 -0.55 8.60 8.33 3hr6A1 GLU 301 HA 0.03 0.38 0.97 -0.75 4.29 4.91 3hr6A1 GLU 301 HB2 0.02 -0.09 0.04 -0.04 2.09 2.02 3hr6A1 GLU 301 HB3 0.03 0.01 -0.15 -0.04 1.99 1.84 3hr6A1 GLU 301 HG2 0.04 0.05 -0.32 -0.04 2.34 2.06 3hr6A1 GLU 301 HG3 0.03 0.01 -0.21 -0.04 2.34 2.13 3hr6A1 LEU 302 H 0.03 0.74 0.31 -0.55 8.37 8.90 3hr6A1 LEU 302 HA -0.01 0.28 0.97 -0.75 4.35 4.83 3hr6A1 LEU 302 HB2 -0.07 -0.01 0.06 -0.04 1.64 1.58 3hr6A1 LEU 302 HB3 0.10 0.00 0.17 -0.04 1.64 1.87 3hr6A1 LEU 302 HG 0.07 0.01 -0.32 -0.04 1.64 1.36 3hr6A1 LEU 302 HD13 -0.04 0.04 -0.12 -0.04 0.93 0.78 3hr6A1 LEU 302 HD23 0.19 -0.01 -0.14 -0.04 0.89 0.90 3hr6A1 VAL 303 H 0.02 0.63 0.24 -0.55 8.24 8.58 3hr6A1 VAL 303 HA 0.05 0.38 1.03 -0.75 4.13 4.83 3hr6A1 VAL 303 HB 0.03 -0.07 0.05 -0.04 2.12 2.08 3hr6A1 VAL 303 HG13 0.03 -0.00 -0.27 -0.04 0.97 0.69 3hr6A1 VAL 303 HG23 0.03 -0.01 -0.24 -0.04 0.95 0.68 3hr6A1 VAL 304 H 0.08 0.63 0.35 -0.55 8.24 8.74 3hr6A1 VAL 304 HA 0.09 0.36 1.00 -0.75 4.13 4.83 3hr6A1 VAL 304 HB 0.14 -0.06 0.14 -0.04 2.12 2.30 3hr6A1 VAL 304 HG13 0.16 0.00 -0.17 -0.04 0.97 0.92 3hr6A1 VAL 304 HG23 0.08 -0.00 -0.10 -0.04 0.95 0.90 3hr6A1 GLU 305 H 0.10 0.58 0.31 -0.55 8.60 9.04 3hr6A1 GLU 305 HA 0.07 0.33 1.07 -0.75 4.29 5.01 3hr6A1 GLU 305 HB2 0.04 -0.06 0.07 -0.04 2.09 2.09 3hr6A1 GLU 305 HB3 -0.01 0.04 0.05 -0.04 1.99 2.04 3hr6A1 GLU 305 HG2 0.01 0.03 0.07 -0.04 2.34 2.40 3hr6A1 GLU 305 HG3 0.03 -0.09 -0.36 -0.04 2.34 1.88 3hr6A1 PHE 306 H -0.21 0.57 0.36 -0.55 8.34 8.51 3hr6A1 PHE 306 HA -0.00 0.32 0.48 -0.75 4.62 4.67 3hr6A1 PHE 306 HB2 0.01 0.00 0.05 -0.04 3.15 3.17 3hr6A1 PHE 306 HB3 0.02 0.06 -0.08 -0.04 3.06 3.02 3hr6A1 PHE 306 HD2 0.04 0.04 -0.40 -0.04 7.28 6.92 3hr6A1 PHE 306 HE2 0.09 0.01 -0.20 -0.04 7.38 7.24 3hr6A1 PHE 306 HZ 0.00 0.00 -0.15 -0.04 7.32 7.13 3hr6A1 GLU 307 H 0.12 0.17 0.15 -0.55 8.60 8.50 3hr6A1 GLU 307 HA -0.19 0.34 1.18 -0.75 4.29 4.87 3hr6A1 GLU 307 HB2 -0.00 -0.11 0.10 -0.04 2.09 2.04 3hr6A1 GLU 307 HB3 -0.06 0.03 0.05 -0.04 1.99 1.97 3hr6A1 GLU 307 HG2 -0.13 0.05 -0.06 -0.04 2.34 2.16 3hr6A1 GLU 307 HG3 -0.05 -0.01 -0.12 -0.04 2.34 2.12 3hr6A1 ALA 308 H -0.12 0.65 0.32 -0.55 8.40 8.71 3hr6A1 ALA 308 HA 0.05 0.11 0.36 -0.75 4.34 4.10 3hr6A1 ALA 308 HB3 0.13 0.05 -0.14 -0.04 1.41 1.41 3hr6A1 PRO 309 HA 0.00 0.13 0.59 -0.51 4.44 4.65 3hr6A1 PRO 309 HB2 0.02 0.04 -0.11 -0.04 2.28 2.19 3hr6A1 PRO 309 HB3 0.01 0.04 -0.03 -0.04 2.02 2.00 3hr6A1 PRO 309 HG2 0.01 -0.11 0.09 -0.04 2.03 1.99 3hr6A1 PRO 309 HG3 0.01 0.06 0.01 -0.04 2.03 2.07 3hr6A1 PRO 309 HD2 0.03 0.26 -0.12 -0.04 3.68 3.81 3hr6A1 PRO 309 HD3 0.02 0.10 0.03 -0.04 3.65 3.75 3hr6A1 VAL 310 H 0.03 0.79 0.41 -0.55 8.24 8.92 3hr6A1 VAL 310 HA 0.02 0.13 0.82 -0.75 4.13 4.35 3hr6A1 VAL 310 HB 0.14 0.06 0.10 -0.04 2.12 2.37 3hr6A1 VAL 310 HG13 0.11 -0.02 -0.14 -0.04 0.97 0.88 3hr6A1 VAL 310 HG23 0.11 0.02 -0.03 -0.04 0.95 1.01 3hr6A1 THR 311 H 0.00 0.83 0.39 -0.55 8.28 8.95 3hr6A1 THR 311 HA 0.02 0.10 0.45 -0.75 4.39 4.21 3hr6A1 THR 311 HB 0.01 -0.05 0.05 -0.04 4.32 4.29 3hr6A1 THR 311 HG23 0.01 0.02 -0.12 -0.04 1.22 1.09 3hr6A1 LYS 312 H -0.03 0.32 0.16 -0.55 8.42 8.31 3hr6A1 LYS 312 HA -0.01 0.09 0.61 -0.75 4.32 4.25 3hr6A1 LYS 312 HB2 -0.02 -0.04 0.05 -0.04 1.87 1.81 3hr6A1 LYS 312 HB3 -0.01 0.15 -0.17 -0.04 1.79 1.72 3hr6A1 LYS 312 HG2 -0.03 -0.01 -0.06 -0.04 1.46 1.32 3hr6A1 LYS 312 HG3 -0.05 -0.02 -0.33 -0.04 1.46 1.02 3hr6A1 LYS 312 HD2 -0.02 -0.02 -0.09 -0.04 1.69 1.52 3hr6A1 LYS 312 HD3 -0.01 0.04 -0.13 -0.04 1.68 1.54 3hr6A1 LYS 312 HE2 -0.02 0.20 -0.15 -0.04 2.99 2.98 3hr6A1 LYS 312 HE3 -0.03 -0.10 -0.17 -0.04 2.99 2.65 3hr6A1 GLN 313 H -0.03 0.13 0.08 -0.55 8.47 8.10 3hr6A1 GLN 313 HA -0.27 0.12 0.40 -0.75 4.36 3.85 3hr6A1 GLN 313 HB2 0.01 -0.09 0.05 -0.04 2.15 2.08 3hr6A1 GLN 313 HB3 -0.02 0.01 0.05 -0.04 2.02 2.02 3hr6A1 GLN 313 HG2 -0.03 0.27 -0.46 -0.04 2.40 2.15 3hr6A1 GLN 313 HG3 0.02 -0.01 -0.05 -0.04 2.39 2.30 3hr6A1 GLN 313 HE21 0.00 -0.01 -0.09 -0.04 6.97 6.84 3hr6A1 GLN 313 HE22 -0.00 0.05 -0.14 -0.04 7.69 7.55 3hr6A1 PRO 314 HA -0.08 0.07 0.44 -0.51 4.44 4.36 3hr6A1 PRO 314 HB2 -0.05 -0.27 -0.25 -0.04 2.28 1.67 3hr6A1 PRO 314 HB3 -0.06 0.22 -0.07 -0.04 2.02 2.07 3hr6A1 PRO 314 HG2 -0.28 0.07 -0.49 -0.04 2.03 1.29 3hr6A1 PRO 314 HG3 -0.26 0.08 -0.09 -0.04 2.03 1.72 3hr6A1 PRO 314 HD2 -0.63 0.02 0.05 -0.04 3.68 3.08 3hr6A1 PRO 314 HD3 -0.79 0.28 0.19 -0.04 3.65 3.30 3hr6A1 GLU 315 H -0.03 0.18 0.18 -0.55 8.60 8.38 3hr6A1 GLU 315 HA -0.01 0.12 0.37 -0.75 4.29 4.01 3hr6A1 GLU 315 HB2 -0.01 -0.02 0.13 -0.04 2.09 2.15 3hr6A1 GLU 315 HB3 -0.01 0.03 0.07 -0.04 1.99 2.04 3hr6A1 GLU 315 HG2 -0.01 0.03 0.06 -0.04 2.34 2.37 3hr6A1 GLU 315 HG3 -0.02 0.01 0.10 -0.04 2.34 2.40 3hr6A1 ASN 316 H 0.00 0.06 -0.29 -0.55 8.53 7.75 3hr6A1 ASN 316 HA 0.02 0.19 0.80 -0.75 4.76 5.02 3hr6A1 ASN 316 HB2 0.02 0.12 0.20 -0.04 2.88 3.18 3hr6A1 ASN 316 HB3 0.01 0.01 0.02 -0.04 2.79 2.80 3hr6A1 ASN 316 HD21 0.02 0.04 0.02 -0.04 7.03 7.07 3hr6A1 ASN 316 HD22 0.02 0.05 0.04 -0.04 7.74 7.80 3hr6A1 GLY 317 H 0.02 0.53 -0.57 -0.55 8.43 7.86 3hr6A1 GLY 317 HA2 0.13 0.05 0.24 -0.51 4.01 3.91 3hr6A1 GLY 317 HA3 0.12 0.11 0.25 -0.51 4.01 3.98 3hr6A1 GLN 318 H 0.05 -0.03 -0.56 -0.55 8.47 7.39 3hr6A1 GLN 318 HA 0.17 0.27 0.60 -0.75 4.36 4.64 3hr6A1 GLN 318 HB2 0.05 -0.08 0.07 -0.04 2.15 2.15 3hr6A1 GLN 318 HB3 0.08 0.03 -0.08 -0.04 2.02 2.02 3hr6A1 GLN 318 HG2 0.06 0.09 -0.23 -0.04 2.40 2.27 3hr6A1 GLN 318 HG3 0.05 0.04 -0.06 -0.04 2.39 2.38 3hr6A1 GLN 318 HE21 0.09 -0.02 -0.41 -0.04 6.97 6.59 3hr6A1 GLN 318 HE22 0.08 0.28 -0.37 -0.04 7.69 7.64 3hr6A1 LEU 319 H 0.26 0.79 0.29 -0.55 8.37 9.16 3hr6A1 LEU 319 HA 0.04 0.05 0.80 -0.75 4.35 4.49 3hr6A1 LEU 319 HB2 -0.06 -0.01 0.03 -0.04 1.64 1.56 3hr6A1 LEU 319 HB3 0.39 -0.02 0.22 -0.04 1.64 2.20 3hr6A1 LEU 319 HG 0.18 0.03 -0.22 -0.04 1.64 1.59 3hr6A1 LEU 319 HD13 -0.01 0.00 -0.06 -0.04 0.93 0.83 3hr6A1 LEU 319 HD23 0.26 -0.00 -0.06 -0.04 0.89 1.05 3hr6A1 ASP 320 H 0.05 0.20 0.13 -0.55 8.40 8.24 3hr6A1 ASP 320 HA 0.07 0.34 0.86 -0.75 4.63 5.14 3hr6A1 ASP 320 HB2 0.04 -0.04 0.08 -0.04 2.71 2.74 3hr6A1 ASP 320 HB3 0.03 0.06 -0.03 -0.04 2.70 2.72 3hr6A1 ASN 321 H -0.03 0.63 0.41 -0.55 8.53 8.99 3hr6A1 ASN 321 HA -0.08 0.20 0.95 -0.75 4.76 5.08 3hr6A1 ASN 321 HB2 -0.39 -0.02 -0.15 -0.04 2.88 2.29 3hr6A1 ASN 321 HB3 -0.54 -0.05 0.01 -0.04 2.79 2.16 3hr6A1 GLN 322 H -0.03 0.31 0.20 -0.55 8.47 8.40 3hr6A1 GLN 322 HA -0.12 0.19 0.51 -0.75 4.36 4.18 3hr6A1 GLN 322 HB2 -0.01 -0.06 0.04 -0.04 2.15 2.08 3hr6A1 GLN 322 HB3 -0.28 0.08 0.03 -0.04 2.02 1.81 3hr6A1 GLN 322 HG2 -0.18 0.22 -0.08 -0.04 2.40 2.31 3hr6A1 GLN 322 HG3 -0.09 -0.08 -0.07 -0.04 2.39 2.11 3hr6A1 GLN 322 HE21 -0.31 -0.07 -0.01 -0.04 6.97 6.54 3hr6A1 GLN 322 HE22 -0.30 0.57 -0.01 -0.04 7.69 7.91 3hr6A1 ALA 323 H -0.13 0.18 0.19 -0.55 8.40 8.09 3hr6A1 ALA 323 HA 0.17 0.21 0.93 -0.75 4.34 4.89 3hr6A1 ALA 323 HB3 0.07 -0.01 -0.03 -0.04 1.41 1.40 3hr6A1 TRP 324 H 0.32 0.62 0.39 -0.55 7.97 8.75 3hr6A1 TRP 324 HA 0.05 0.34 1.00 -0.75 4.62 5.26 3hr6A1 TRP 324 HB2 0.01 -0.08 0.01 -0.04 3.23 3.12 3hr6A1 TRP 324 HB3 0.21 0.01 -0.16 -0.04 3.23 3.24 3hr6A1 TRP 324 HD1 -0.12 -0.02 -0.32 -0.04 7.22 6.71 3hr6A1 TRP 324 HE1 -0.10 -0.04 -0.22 -0.04 10.20 9.81 3hr6A1 TRP 324 HE3 0.12 -0.15 -0.42 -0.04 7.59 7.10 3hr6A1 TRP 324 HZ2 -0.05 -0.08 -0.06 -0.04 7.44 7.21 3hr6A1 TRP 324 HZ3 0.05 0.13 0.03 -0.04 7.13 7.29 3hr6A1 TRP 324 HH2 -0.00 -0.03 0.02 -0.04 7.19 7.14 3hr6A1 VAL 325 H 0.21 0.65 0.35 -0.55 8.24 8.89 3hr6A1 VAL 325 HA 0.07 0.33 1.21 -0.75 4.13 4.99 3hr6A1 VAL 325 HB 0.00 -0.06 0.07 -0.04 2.12 2.09 3hr6A1 VAL 325 HG13 0.02 0.03 0.11 -0.04 0.97 1.09 3hr6A1 VAL 325 HG23 -0.52 0.01 -0.07 -0.04 0.95 0.33 3hr6A1 LEU 326 H -0.15 0.72 0.40 -0.55 8.37 8.80 3hr6A1 LEU 326 HA -0.13 0.24 0.84 -0.75 4.35 4.55 3hr6A1 LEU 326 HB2 -0.77 -0.01 -0.09 -0.04 1.64 0.73 3hr6A1 LEU 326 HB3 -0.55 -0.02 0.16 -0.04 1.64 1.18 3hr6A1 LEU 326 HG -0.39 -0.06 -0.27 -0.04 1.64 0.88 3hr6A1 LEU 326 HD13 -0.31 0.01 -0.23 -0.04 0.93 0.36 3hr6A1 LEU 326 HD23 -1.38 0.00 -0.17 -0.04 0.89 -0.70 3hr6A1 PRO 327 HA -0.05 0.19 0.57 -0.51 4.44 4.64 3hr6A1 PRO 327 HB2 0.16 -0.06 0.27 -0.04 2.28 2.60 3hr6A1 PRO 327 HB3 0.16 0.01 0.05 -0.04 2.02 2.20 3hr6A1 PRO 327 HG2 -0.00 0.02 0.07 -0.04 2.03 2.07 3hr6A1 PRO 327 HG3 0.04 0.11 -0.13 -0.04 2.03 2.01 3hr6A1 PRO 327 HD2 -0.10 0.17 0.13 -0.04 3.68 3.83 3hr6A1 PRO 327 HD3 -0.05 0.15 0.06 -0.04 3.65 3.77 3hr6A1 SER 328 H -0.16 0.57 -0.49 -0.55 8.46 7.83 3hr6A1 SER 328 HA -0.02 0.07 0.28 -0.75 4.49 4.06 3hr6A1 SER 328 HB2 -0.11 0.10 -0.37 -0.04 3.95 3.54 3hr6A1 SER 328 HB3 -0.25 -0.01 -0.26 -0.04 3.93 3.36 3hr6A1 ASN 329 H -0.05 0.25 -0.10 -0.55 8.53 8.09 3hr6A1 ASN 329 HA -0.07 0.19 0.79 -0.75 4.76 4.92 3hr6A1 ASN 329 HB2 -0.01 0.03 0.15 -0.04 2.88 3.01 3hr6A1 ASN 329 HB3 -0.01 0.06 0.01 -0.04 2.79 2.81 3hr6A1 ASN 329 HD21 0.04 0.53 0.14 -0.04 7.03 7.70 3hr6A1 ASN 329 HD22 0.02 -0.05 0.03 -0.04 7.74 7.70 3hr6A1 PRO 330 HA -0.09 0.00 0.32 -0.51 4.44 4.16 3hr6A1 PRO 330 HB2 -0.04 0.27 -0.08 -0.04 2.28 2.39 3hr6A1 PRO 330 HB3 -0.14 -0.03 0.00 -0.04 2.02 1.81 3hr6A1 PRO 330 HG2 -0.24 0.02 -0.04 -0.04 2.03 1.73 3hr6A1 PRO 330 HG3 -0.54 0.03 -0.10 -0.04 2.03 1.38 3hr6A1 PRO 330 HD2 -0.14 0.10 0.06 -0.04 3.68 3.66 3hr6A1 PRO 330 HD3 -0.30 0.17 -0.49 -0.04 3.65 2.99 3hr6A1 THR 331 H -0.05 0.08 0.16 -0.55 8.28 7.92 3hr6A1 THR 331 HA -0.03 0.13 0.49 -0.75 4.39 4.22 3hr6A1 THR 331 HB -0.04 -0.01 0.04 -0.04 4.32 4.26 3hr6A1 THR 331 HG23 -0.04 0.02 0.04 -0.04 1.22 1.19 3hr6A1 ALA 332 H -0.04 -0.02 -0.14 -0.55 8.40 7.66 3hr6A1 ALA 332 HA -0.06 0.14 0.64 -0.75 4.34 4.30 3hr6A1 ALA 332 HB3 -0.03 -0.00 -0.06 -0.04 1.41 1.29 3hr6A1 GLN 333 H -0.15 0.10 0.03 -0.55 8.47 7.90 3hr6A1 GLN 333 HA -0.36 0.09 0.36 -0.75 4.36 3.69 3hr6A1 GLN 333 HB2 -0.38 -0.04 0.10 -0.04 2.15 1.78 3hr6A1 GLN 333 HB3 -1.46 0.04 -0.09 -0.04 2.02 0.47 3hr6A1 GLN 333 HG2 -0.62 0.05 -0.10 -0.04 2.40 1.69 3hr6A1 GLN 333 HG3 -0.28 -0.01 -0.04 -0.04 2.39 2.02 3hr6A1 GLN 333 HE21 -0.01 0.01 -0.00 -0.04 6.97 6.93 3hr6A1 GLN 333 HE22 -0.11 0.01 -0.08 -0.04 7.69 7.48 3hr6A1 TRP 334 H 0.19 0.17 0.08 -0.55 7.97 7.86 3hr6A1 TRP 334 HA -0.06 0.03 0.38 -0.75 4.62 4.21 3hr6A1 TRP 334 HB2 -0.04 0.05 -0.05 -0.04 3.23 3.15 3hr6A1 TRP 334 HB3 0.01 -0.02 0.03 -0.04 3.23 3.21 3hr6A1 TRP 334 HD1 -0.08 -0.08 -0.10 -0.04 7.22 6.92 3hr6A1 TRP 334 HE1 -0.13 0.34 -0.08 -0.04 10.20 10.29 3hr6A1 TRP 334 HE3 -0.00 -0.02 -0.15 -0.04 7.59 7.38 3hr6A1 TRP 334 HZ2 -0.13 0.04 -0.13 -0.04 7.44 7.18 3hr6A1 TRP 334 HZ3 0.01 0.00 -0.19 -0.04 7.13 6.92 3hr6A1 TRP 334 HH2 0.07 -0.03 -0.29 -0.04 7.19 6.90 3hr6A1 ASP 335 H -0.16 0.18 0.06 -0.55 8.40 7.93 3hr6A1 ASP 335 HA -0.34 0.21 0.76 -0.75 4.63 4.50 3hr6A1 ASP 335 HB2 -0.11 0.06 -0.01 -0.04 2.71 2.61 3hr6A1 ASP 335 HB3 -0.21 -0.04 0.11 -0.04 2.70 2.52 3hr6A1 PRO 336 HA -1.95 0.16 0.34 -0.51 4.44 2.47 3hr6A1 PRO 336 HB2 -2.17 0.07 -0.13 -0.04 2.28 0.01 3hr6A1 PRO 336 HB3 -1.73 0.03 -0.05 -0.04 2.02 0.23 3hr6A1 PRO 336 HG2 -0.62 0.01 -0.11 -0.04 2.03 1.27 3hr6A1 PRO 336 HG3 -0.52 0.00 -0.23 -0.04 2.03 1.24 3hr6A1 PRO 336 HD2 -0.52 0.05 0.09 -0.04 3.68 3.25 3hr6A1 PRO 336 HD3 -0.72 0.32 -0.03 -0.04 3.65 3.18 3hr6A1 GLU 337 H -0.64 0.01 -0.50 -0.55 8.60 6.93 3hr6A1 GLU 337 HA -0.57 0.29 0.75 -0.75 4.29 4.01 3hr6A1 GLU 337 HB2 -0.20 -0.05 0.03 -0.04 2.09 1.83 3hr6A1 GLU 337 HB3 -0.09 0.02 0.11 -0.04 1.99 1.98 3hr6A1 GLU 337 HG2 0.02 0.12 -0.22 -0.04 2.34 2.22 3hr6A1 GLU 337 HG3 -0.32 -0.12 -0.20 -0.04 2.34 1.66 3hr6A1 GLU 338 H -0.45 0.36 -0.42 -0.55 8.60 7.54 3hr6A1 GLU 338 HA -0.13 0.05 0.67 -0.75 4.29 4.13 3hr6A1 GLU 338 HB2 -0.20 -0.05 0.08 -0.04 2.09 1.88 3hr6A1 GLU 338 HB3 -0.15 0.15 -0.02 -0.04 1.99 1.93 3hr6A1 GLU 338 HG2 -0.05 -0.36 0.10 -0.04 2.34 1.98 3hr6A1 GLU 338 HG3 -0.06 -0.00 0.04 -0.04 2.34 2.27 3hr6A1 SER 339 H -0.05 -0.07 0.07 -0.55 8.46 7.87 3hr6A1 SER 339 HA -0.03 0.26 0.06 -0.75 4.49 4.02 3hr6A1 SER 339 HB2 -0.01 0.01 -0.05 -0.04 3.95 3.86 3hr6A1 SER 339 HB3 -0.03 0.07 -0.05 -0.04 3.93 3.88 3hr6A1 GLY 340 H -0.01 -0.03 0.11 -0.55 8.43 7.95 3hr6A1 GLY 340 HA2 0.00 0.07 0.20 -0.51 4.01 3.77 3hr6A1 GLY 340 HA3 0.00 -0.05 0.35 -0.51 4.01 3.81 3hr6A1 ASP 341 H 0.01 0.08 0.14 -0.55 8.40 8.08 3hr6A1 ASP 341 HA 0.02 0.22 0.35 -0.75 4.63 4.46 3hr6A1 ASP 341 HB2 0.01 -0.08 0.13 -0.04 2.71 2.73 3hr6A1 ASP 341 HB3 0.01 0.04 -0.01 -0.04 2.70 2.70 3hr6A1 ALA 342 H 0.01 -0.05 -0.30 -0.55 8.40 7.52 3hr6A1 ALA 342 HA 0.02 0.16 0.48 -0.75 4.34 4.25 3hr6A1 ALA 342 HB3 0.01 -0.02 -0.02 -0.04 1.41 1.35 3hr6A1 ALA 343 H 0.02 0.40 -0.55 -0.55 8.40 7.73 3hr6A1 ALA 343 HA 0.06 -0.11 0.10 -0.75 4.34 3.63 3hr6A1 ALA 343 HB3 0.03 0.02 -0.25 -0.04 1.41 1.17 3hr6A1 LEU 344 H 0.09 -0.01 0.08 -0.55 8.37 7.97 3hr6A1 LEU 344 HA -0.01 0.09 0.47 -0.75 4.35 4.15 3hr6A1 LEU 344 HB2 -0.18 -0.07 0.01 -0.04 1.64 1.36 3hr6A1 LEU 344 HB3 -0.30 0.05 -0.11 -0.04 1.64 1.23 3hr6A1 LEU 344 HG -0.05 -0.01 0.03 -0.04 1.64 1.56 3hr6A1 LEU 344 HD13 -0.32 -0.02 -0.08 -0.04 0.93 0.47 3hr6A1 LEU 344 HD23 -0.10 0.01 -0.05 -0.04 0.89 0.71 3hr6A1 ARG 345 H 0.03 0.56 0.26 -0.55 8.46 8.76 3hr6A1 ARG 345 HA 0.18 0.07 0.48 -0.75 4.34 4.31 3hr6A1 ARG 345 HB2 0.08 0.07 -0.04 -0.04 1.90 1.97 3hr6A1 ARG 345 HB3 0.07 -0.05 0.05 -0.04 1.80 1.83 3hr6A1 ARG 345 HG2 0.10 0.16 -0.39 -0.04 1.67 1.50 3hr6A1 ARG 345 HG3 0.17 -0.11 -0.30 -0.04 1.67 1.39 3hr6A1 ARG 345 HD2 0.25 -0.06 0.08 -0.04 3.22 3.44 3hr6A1 ARG 345 HD3 0.14 -0.03 -0.01 -0.04 3.22 3.28 3hr6A1 GLY 346 H 0.43 0.18 0.15 -0.55 8.43 8.63 3hr6A1 GLY 346 HA2 0.29 0.14 0.81 -0.51 4.01 4.75 3hr6A1 GLY 346 HA3 0.79 -0.07 0.20 -0.51 4.01 4.42 3hr6A1 MET 347 H 0.26 0.81 0.38 -0.55 8.47 9.37 3hr6A1 MET 347 HA 0.13 0.17 0.97 -0.75 4.52 5.04 3hr6A1 MET 347 HB2 0.08 0.00 0.14 -0.04 2.15 2.33 3hr6A1 MET 347 HB3 0.08 -0.06 0.27 -0.04 2.03 2.28 3hr6A1 MET 347 HG2 0.04 0.03 -0.28 -0.04 2.63 2.38 3hr6A1 MET 347 HG3 -0.01 -0.01 -0.22 -0.04 2.56 2.28 3hr6A1 MET 347 HE3 0.05 -0.02 0.10 -0.04 2.10 2.19 3hr6A1 PRO 348 HA -1.11 0.11 0.71 -0.51 4.44 3.64 3hr6A1 PRO 348 HB2 -0.73 0.13 0.02 -0.04 2.28 1.67 3hr6A1 PRO 348 HB3 -2.29 -0.01 0.09 -0.04 2.02 -0.24 3hr6A1 PRO 348 HG2 -0.32 -0.01 0.11 -0.04 2.03 1.77 3hr6A1 PRO 348 HG3 -0.50 0.04 0.10 -0.04 2.03 1.63 3hr6A1 PRO 348 HD2 -0.10 0.03 0.29 -0.04 3.68 3.86 3hr6A1 PRO 348 HD3 -0.00 0.32 0.20 -0.04 3.65 4.13 3hr6A1 SER 349 H -0.48 0.75 0.45 -0.55 8.46 8.63 3hr6A1 SER 349 HA -0.13 0.12 0.66 -0.75 4.49 4.39 3hr6A1 SER 349 HB2 -0.08 -0.06 -0.02 -0.04 3.95 3.75 3hr6A1 SER 349 HB3 -0.11 -0.05 0.07 -0.04 3.93 3.80 3hr6A1 SER 350 H -0.07 0.62 0.33 -0.55 8.46 8.79 3hr6A1 SER 350 HA -0.08 0.06 0.66 -0.75 4.49 4.37 3hr6A1 SER 350 HB2 -0.02 -0.04 0.19 -0.04 3.95 4.03 3hr6A1 SER 350 HB3 -0.03 0.05 0.21 -0.04 3.93 4.12 3hr6A1 ARG 351 H -0.04 0.05 0.20 -0.55 8.46 8.11 3hr6A1 ARG 351 HA -0.07 0.25 0.82 -0.75 4.34 4.59 3hr6A1 ARG 351 HB2 -0.01 -0.09 0.06 -0.04 1.90 1.82 3hr6A1 ARG 351 HB3 -0.01 0.03 -0.08 -0.04 1.80 1.70 3hr6A1 ARG 351 HG2 -0.05 0.04 -0.02 -0.04 1.67 1.60 3hr6A1 ARG 351 HG3 -0.07 0.03 0.02 -0.04 1.67 1.61 3hr6A1 ARG 351 HD2 -0.02 -0.04 0.01 -0.04 3.22 3.13 3hr6A1 ARG 351 HD3 -0.00 -0.01 -0.04 -0.04 3.22 3.12 3hr6A1 VAL 352 H -0.03 0.61 0.38 -0.55 8.24 8.65 3hr6A1 VAL 352 HA 0.05 0.23 1.05 -0.75 4.13 4.71 3hr6A1 VAL 352 HB -0.02 -0.01 0.11 -0.04 2.12 2.16 3hr6A1 VAL 352 HG13 0.20 -0.02 -0.13 -0.04 0.97 0.98 3hr6A1 VAL 352 HG23 0.03 -0.03 -0.27 -0.04 0.95 0.64 3hr6A1 SER 353 H 0.11 0.69 0.30 -0.55 8.46 9.01 3hr6A1 SER 353 HA 0.13 0.22 0.82 -0.75 4.49 4.90 3hr6A1 SER 353 HB2 0.08 0.02 -0.08 -0.04 3.95 3.92 3hr6A1 SER 353 HB3 0.11 -0.04 0.14 -0.04 3.93 4.10 3hr6A1 SER 354 H 0.24 0.79 0.27 -0.55 8.46 9.22 3hr6A1 SER 354 HA 0.26 0.13 1.14 -0.75 4.49 5.27 3hr6A1 SER 354 HB2 0.43 0.02 0.20 -0.04 3.95 4.56 3hr6A1 SER 354 HB3 0.17 -0.01 0.06 -0.04 3.93 4.10 3hr6A1 LYS 355 H 0.25 0.69 0.43 -0.55 8.42 9.23 3hr6A1 LYS 355 HA 0.27 0.28 0.72 -0.75 4.32 4.84 3hr6A1 LYS 355 HB2 0.21 -0.17 0.06 -0.04 1.87 1.93 3hr6A1 LYS 355 HB3 0.14 0.04 -0.01 -0.04 1.79 1.92 3hr6A1 LYS 355 HG2 0.32 0.01 -0.09 -0.04 1.46 1.67 3hr6A1 LYS 355 HG3 0.19 -0.05 -0.10 -0.04 1.46 1.46 3hr6A1 LYS 355 HD2 0.12 0.05 -0.17 -0.04 1.69 1.65 3hr6A1 LYS 355 HD3 0.18 -0.04 -0.48 -0.04 1.68 1.31 3hr6A1 LYS 355 HE2 0.18 -0.02 -0.08 -0.04 2.99 3.03 3hr6A1 LYS 355 HE3 0.10 0.02 -0.05 -0.04 2.99 3.03 3hr6A1 PHE 356 H 0.33 0.45 0.38 -0.55 8.34 8.94 3hr6A1 PHE 356 HA 0.13 0.25 1.05 -0.75 4.62 5.29 3hr6A1 PHE 356 HB2 0.07 0.01 0.09 -0.04 3.15 3.28 3hr6A1 PHE 356 HB3 0.06 -0.08 -0.01 -0.04 3.06 2.99 3hr6A1 PHE 356 HD2 0.12 -0.01 -0.41 -0.04 7.28 6.93 3hr6A1 PHE 356 HE2 0.12 -0.01 -0.10 -0.04 7.38 7.34 3hr6A1 PHE 356 HZ 0.11 0.19 -0.07 -0.04 7.32 7.51 3hr6A1 GLY 357 H 0.10 0.58 0.36 -0.55 8.43 8.93 3hr6A1 GLY 357 HA2 0.04 0.23 0.91 -0.51 4.01 4.67 3hr6A1 GLY 357 HA3 -0.03 -0.01 0.33 -0.51 4.01 3.79 3hr6A1 GLN 358 H -0.06 0.67 0.36 -0.55 8.47 8.90 3hr6A1 GLN 358 HA -0.10 0.24 0.99 -0.75 4.36 4.74 3hr6A1 GLN 358 HB2 -0.01 -0.09 -0.15 -0.04 2.15 1.86 3hr6A1 GLN 358 HB3 -0.03 0.04 0.04 -0.04 2.02 2.03 3hr6A1 GLN 358 HG2 -0.06 0.00 -0.42 -0.04 2.40 1.88 3hr6A1 GLN 358 HG3 -0.06 -0.01 -0.21 -0.04 2.39 2.07 3hr6A1 GLN 358 HE21 -0.02 0.02 -0.10 -0.04 6.97 6.84 3hr6A1 GLN 358 HE22 -0.03 -0.00 -0.15 -0.04 7.69 7.47 3hr6A1 ILE 359 H -0.18 0.62 0.32 -0.55 8.25 8.46 3hr6A1 ILE 359 HA -0.14 0.22 0.92 -0.75 4.18 4.43 3hr6A1 ILE 359 HB -0.27 -0.04 0.14 -0.04 1.89 1.68 3hr6A1 ILE 359 HG12 -0.20 0.04 -0.13 -0.04 1.49 1.15 3hr6A1 ILE 359 HG13 -0.27 -0.08 -0.27 -0.04 1.21 0.54 3hr6A1 ILE 359 HG23 -0.19 0.00 -0.21 -0.04 0.93 0.49 3hr6A1 ILE 359 HD13 -0.37 0.01 -0.13 -0.04 0.88 0.35 3hr6A1 THR 360 H -0.11 0.70 0.39 -0.55 8.28 8.72 3hr6A1 THR 360 HA -0.11 0.23 1.12 -0.75 4.39 4.87 3hr6A1 THR 360 HB -0.07 -0.05 0.10 -0.04 4.32 4.26 3hr6A1 THR 360 HG23 -0.05 0.00 -0.20 -0.04 1.22 0.93 3hr6A1 ILE 361 H -0.12 0.80 0.36 -0.55 8.25 8.74 3hr6A1 ILE 361 HA -0.18 0.21 0.79 -0.75 4.18 4.25 3hr6A1 ILE 361 HB -0.17 -0.08 0.19 -0.04 1.89 1.79 3hr6A1 ILE 361 HG12 -0.39 0.03 -0.10 -0.04 1.49 0.99 3hr6A1 ILE 361 HG13 -0.25 -0.02 -0.13 -0.04 1.21 0.77 3hr6A1 ILE 361 HG23 -0.41 0.01 -0.12 -0.04 0.93 0.37 3hr6A1 ILE 361 HD13 -0.58 -0.01 -0.14 -0.04 0.88 0.11 3hr6A1 GLU 362 H -0.11 0.71 0.27 -0.55 8.60 8.92 3hr6A1 GLU 362 HA -0.04 0.15 0.66 -0.75 4.29 4.30 3hr6A1 GLU 362 HB2 -0.06 -0.08 0.10 -0.04 2.09 2.01 3hr6A1 GLU 362 HB3 -0.04 0.04 -0.02 -0.04 1.99 1.94 3hr6A1 GLU 362 HG2 -0.04 0.05 -0.14 -0.04 2.34 2.18 3hr6A1 GLU 362 HG3 -0.06 -0.03 -0.33 -0.04 2.34 1.88 3hr6A1 LYS 363 H -0.02 0.65 0.21 -0.55 8.42 8.70 3hr6A1 LYS 363 HA -0.11 0.25 0.76 -0.75 4.32 4.47 3hr6A1 LYS 363 HB2 0.01 -0.05 0.03 -0.04 1.87 1.82 3hr6A1 LYS 363 HB3 0.04 -0.04 0.14 -0.04 1.79 1.89 3hr6A1 LYS 363 HG2 -0.03 -0.12 -0.09 -0.04 1.46 1.17 3hr6A1 LYS 363 HG3 -0.49 0.13 -0.11 -0.04 1.46 0.94 3hr6A1 LYS 363 HD2 -0.11 0.15 0.01 -0.04 1.69 1.70 3hr6A1 LYS 363 HD3 0.21 -0.06 -0.06 -0.04 1.68 1.73 3hr6A1 LYS 363 HE2 0.07 -0.02 -0.09 -0.04 2.99 2.91 3hr6A1 LYS 363 HE3 -0.09 -0.08 -0.06 -0.04 2.99 2.72 3hr6A1 SER 364 H -0.20 0.66 0.54 -0.55 8.46 8.91 3hr6A1 SER 364 HA 0.00 0.32 0.68 -0.75 4.49 4.73 3hr6A1 SER 364 HB2 -0.00 -0.07 -0.22 -0.04 3.95 3.61 3hr6A1 SER 364 HB3 -0.02 0.07 -0.24 -0.04 3.93 3.70 3hr6A1 PHE 365 H 0.14 0.76 0.12 -0.55 8.34 8.80 3hr6A1 PHE 365 HA -0.11 0.11 0.84 -0.75 4.62 4.70 3hr6A1 PHE 365 HB2 -0.11 0.11 0.02 -0.04 3.15 3.13 3hr6A1 PHE 365 HB3 -0.35 0.02 -0.06 -0.04 3.06 2.62 3hr6A1 PHE 365 HD2 -0.95 0.04 -0.21 -0.04 7.28 6.12 3hr6A1 PHE 365 HE2 -0.20 -0.05 -0.19 -0.04 7.38 6.90 3hr6A1 PHE 365 HZ -0.09 -0.08 -0.47 -0.04 7.32 6.64 3hr6A1 ASP 366 H 0.21 0.86 0.23 -0.55 8.40 9.15 3hr6A1 ASP 366 HA 0.11 0.03 0.32 -0.75 4.63 4.34 3hr6A1 ASP 366 HB2 0.21 0.08 0.02 -0.04 2.71 2.98 3hr6A1 ASP 366 HB3 0.11 0.02 0.24 -0.04 2.70 3.02 3hr6A1 GLY 367 H 0.04 0.03 -0.40 -0.55 8.43 7.55 3hr6A1 GLY 367 HA2 0.02 -0.02 0.19 -0.51 4.01 3.69 3hr6A1 GLY 367 HA3 0.04 0.12 0.29 -0.51 4.01 3.94 3hr6A1 ASN 368 H 0.09 0.50 -0.46 -0.55 8.53 8.12 3hr6A1 ASN 368 HA 0.05 0.14 0.90 -0.75 4.76 5.09 3hr6A1 ASN 368 HB2 0.10 0.14 0.05 -0.04 2.88 3.13 3hr6A1 ASN 368 HB3 0.06 0.08 0.02 -0.04 2.79 2.91 3hr6A1 ASN 368 HD21 0.03 -0.03 -0.02 -0.04 7.03 6.97 3hr6A1 ASN 368 HD22 0.04 -0.05 0.06 -0.04 7.74 7.74 3hr6A1 THR 369 H 0.04 0.09 0.14 -0.55 8.28 8.01 3hr6A1 THR 369 HA 0.06 0.17 0.54 -0.75 4.39 4.40 3hr6A1 THR 369 HB 0.03 -0.05 0.07 -0.04 4.32 4.33 3hr6A1 THR 369 HG23 0.03 0.02 0.05 -0.04 1.22 1.28 3hr6A1 PRO 370 HA 0.14 0.01 0.21 -0.51 4.44 4.28 3hr6A1 PRO 370 HB2 0.09 0.15 0.13 -0.04 2.28 2.61 3hr6A1 PRO 370 HB3 0.19 -0.05 -0.04 -0.04 2.02 2.07 3hr6A1 PRO 370 HG2 0.19 -0.06 0.01 -0.04 2.03 2.13 3hr6A1 PRO 370 HG3 0.36 -0.07 -0.20 -0.04 2.03 2.08 3hr6A1 PRO 370 HD2 0.08 0.04 -0.06 -0.04 3.68 3.70 3hr6A1 PRO 370 HD3 0.09 0.25 0.25 -0.04 3.65 4.20 3hr6A1 GLY 371 H 0.03 0.53 0.09 -0.55 8.43 8.54 3hr6A1 GLY 371 HA2 0.01 -0.01 0.35 -0.51 4.01 3.84 3hr6A1 GLY 371 HA3 -0.01 0.04 0.52 -0.51 4.01 4.05 3hr6A1 ALA 372 H -0.02 0.13 0.18 -0.55 8.40 8.15 3hr6A1 ALA 372 HA -0.01 0.07 0.13 -0.75 4.34 3.76 3hr6A1 ALA 372 HB3 -0.01 0.01 0.10 -0.04 1.41 1.46 3hr6A1 ASP 373 H -0.06 0.14 -0.13 -0.55 8.40 7.80 3hr6A1 ASP 373 HA -0.05 0.28 1.01 -0.75 4.63 5.11 3hr6A1 ASP 373 HB2 -0.04 -0.00 0.16 -0.04 2.71 2.79 3hr6A1 ASP 373 HB3 -0.03 -0.04 -0.05 -0.04 2.70 2.53 3hr6A1 ARG 374 H -0.14 0.41 -0.38 -0.55 8.46 7.81 3hr6A1 ARG 374 HA -0.35 0.06 0.86 -0.75 4.34 4.16 3hr6A1 ARG 374 HB2 -0.54 0.14 0.00 -0.04 1.90 1.46 3hr6A1 ARG 374 HB3 -1.79 -0.08 -0.09 -0.04 1.80 -0.19 3hr6A1 ARG 374 HG2 -0.38 0.04 -0.12 -0.04 1.67 1.17 3hr6A1 ARG 374 HG3 -0.24 -0.12 -0.47 -0.04 1.67 0.80 3hr6A1 ARG 374 HD2 -0.80 -0.09 -0.09 -0.04 3.22 2.20 3hr6A1 ARG 374 HD3 -0.10 -0.01 -0.09 -0.04 3.22 2.98 3hr6A1 THR 375 H -0.15 0.24 0.04 -0.55 8.28 7.86 3hr6A1 THR 375 HA 0.13 0.15 0.46 -0.75 4.39 4.38 3hr6A1 THR 375 HB 0.01 0.00 -0.20 -0.04 4.32 4.08 3hr6A1 THR 375 HG23 -0.00 0.00 -0.20 -0.04 1.22 0.98 3hr6A1 ALA 376 H 0.19 0.23 0.17 -0.55 8.40 8.44 3hr6A1 ALA 376 HA 0.02 0.23 0.62 -0.75 4.34 4.46 3hr6A1 ALA 376 HB3 0.04 0.02 0.06 -0.04 1.41 1.48 3hr6A1 THR 377 H -0.23 0.56 0.30 -0.55 8.28 8.36 3hr6A1 THR 377 HA 0.05 0.32 1.00 -0.75 4.39 5.01 3hr6A1 THR 377 HB -0.08 -0.08 0.05 -0.04 4.32 4.17 3hr6A1 THR 377 HG23 -0.01 0.00 -0.15 -0.04 1.22 1.02 3hr6A1 PHE 378 H 0.27 0.63 0.40 -0.55 8.34 9.08 3hr6A1 PHE 378 HA 0.08 0.31 1.08 -0.75 4.62 5.33 3hr6A1 PHE 378 HB2 0.13 -0.02 0.01 -0.04 3.15 3.22 3hr6A1 PHE 378 HB3 0.08 0.04 -0.03 -0.04 3.06 3.10 3hr6A1 PHE 378 HD2 0.05 0.04 -0.30 -0.04 7.28 7.03 3hr6A1 PHE 378 HE2 -0.00 -0.01 -0.15 -0.04 7.38 7.18 3hr6A1 PHE 378 HZ -0.05 -0.01 -0.10 -0.04 7.32 7.12 3hr6A1 GLN 379 H 0.23 0.64 0.39 -0.55 8.47 9.18 3hr6A1 GLN 379 HA 0.25 0.15 0.71 -0.75 4.36 4.72 3hr6A1 GLN 379 HB2 0.16 -0.02 0.13 -0.04 2.15 2.38 3hr6A1 GLN 379 HB3 -0.03 0.09 0.19 -0.04 2.02 2.23 3hr6A1 GLN 379 HG2 0.03 0.17 0.30 -0.04 2.40 2.86 3hr6A1 GLN 379 HG3 0.07 -0.14 -0.15 -0.04 2.39 2.13 3hr6A1 GLN 379 HE21 0.01 -0.05 0.01 -0.04 6.97 6.89 3hr6A1 GLN 379 HE22 -0.02 0.28 0.03 -0.04 7.69 7.94 3hr6A1 LEU 380 H 0.16 0.24 0.17 -0.55 8.37 8.39 3hr6A1 LEU 380 HA 0.06 0.22 0.95 -0.75 4.35 4.83 3hr6A1 LEU 380 HB2 -0.08 -0.05 -0.00 -0.04 1.64 1.46 3hr6A1 LEU 380 HB3 0.03 0.04 0.13 -0.04 1.64 1.80 3hr6A1 LEU 380 HG -0.02 0.10 -0.10 -0.04 1.64 1.58 3hr6A1 LEU 380 HD13 -0.14 0.02 -0.04 -0.04 0.93 0.73 3hr6A1 LEU 380 HD23 -0.36 -0.01 -0.11 -0.04 0.89 0.37 3hr6A1 HIS 381 H 0.13 0.56 0.42 -0.55 8.41 8.98 3hr6A1 HIS 381 HA 0.07 0.27 0.80 -0.75 4.63 5.02 3hr6A1 HIS 381 HB2 0.05 0.00 -0.14 -0.04 3.26 3.13 3hr6A1 HIS 381 HB3 0.03 0.05 -0.01 -0.04 3.20 3.23 3hr6A1 HIS 381 HD2 0.08 -0.04 -0.27 -0.04 6.97 6.68 3hr6A1 HIS 381 HE1 0.05 0.12 -0.17 -0.04 7.75 7.71 3hr6A1 ARG 382 H 0.16 0.25 0.17 -0.55 8.46 8.48 3hr6A1 ARG 382 HA -0.14 0.25 0.98 -0.75 4.34 4.68 3hr6A1 ARG 382 HB2 0.05 -0.07 0.05 -0.04 1.90 1.89 3hr6A1 ARG 382 HB3 -0.08 0.16 -0.02 -0.04 1.80 1.82 3hr6A1 ARG 382 HG2 -0.07 -0.07 -0.17 -0.04 1.67 1.31 3hr6A1 ARG 382 HG3 0.20 0.06 -0.01 -0.04 1.67 1.87 3hr6A1 ARG 382 HD2 -0.84 -0.01 -0.05 -0.04 3.22 2.27 3hr6A1 ARG 382 HD3 -1.47 -0.04 -0.09 -0.04 3.22 1.57 3hr6A1 CYS 383 H -0.08 0.73 0.27 -0.55 8.50 8.87 3hr6A1 CYS 383 HA -0.02 0.00 0.87 -0.75 4.58 4.68 3hr6A1 CYS 383 HB2 -0.02 0.07 -0.34 -0.04 2.97 2.65 3hr6A1 CYS 383 HB3 -0.01 0.00 -0.41 -0.04 2.97 2.51 3hr6A1 GLU 384 H -0.02 0.74 0.11 -0.55 8.60 8.89 3hr6A1 GLU 384 HA -0.02 0.05 0.74 -0.75 4.29 4.30 3hr6A1 GLU 384 HB2 -0.01 0.01 0.03 -0.04 2.09 2.08 3hr6A1 GLU 384 HB3 -0.01 -0.07 0.15 -0.04 1.99 2.02 3hr6A1 GLU 384 HG2 -0.01 0.05 -0.12 -0.04 2.34 2.22 3hr6A1 GLU 384 HG3 -0.01 0.06 -0.01 -0.04 2.34 2.34 3hr6A1 ALA 385 H -0.02 0.17 0.13 -0.55 8.40 8.14 3hr6A1 ALA 385 HA -0.02 0.12 0.36 -0.75 4.34 4.05 3hr6A1 ALA 385 HB3 -0.01 0.03 0.07 -0.04 1.41 1.46 3hr6A1 ASP 386 H -0.01 0.02 -0.26 -0.55 8.40 7.59 3hr6A1 ASP 386 HA -0.01 0.20 0.64 -0.75 4.63 4.70 3hr6A1 ASP 386 HB2 -0.01 0.07 0.13 -0.04 2.71 2.86 3hr6A1 ASP 386 HB3 -0.01 0.01 0.05 -0.04 2.70 2.72 3hr6A1 GLY 387 H -0.01 0.50 -0.46 -0.55 8.43 7.90 3hr6A1 GLY 387 HA2 -0.01 0.02 0.19 -0.51 4.01 3.69 3hr6A1 GLY 387 HA3 -0.01 0.15 0.50 -0.51 4.01 4.14 3hr6A1 SER 388 H -0.01 -0.07 -0.44 -0.55 8.46 7.40 3hr6A1 SER 388 HA -0.02 0.17 0.56 -0.75 4.49 4.44 3hr6A1 SER 388 HB2 -0.02 0.08 0.03 -0.04 3.95 4.00 3hr6A1 SER 388 HB3 -0.01 0.05 -0.01 -0.04 3.93 3.91 3hr6A1 LEU 389 H -0.04 0.14 0.13 -0.55 8.37 8.06 3hr6A1 LEU 389 HA -0.04 0.09 0.53 -0.75 4.35 4.18 3hr6A1 LEU 389 HB2 -0.07 -0.06 0.09 -0.04 1.64 1.56 3hr6A1 LEU 389 HB3 -0.09 0.16 0.07 -0.04 1.64 1.74 3hr6A1 LEU 389 HG -0.11 -0.04 0.05 -0.04 1.64 1.50 3hr6A1 LEU 389 HD13 -0.27 0.02 -0.02 -0.04 0.93 0.62 3hr6A1 LEU 389 HD23 -0.23 0.00 -0.12 -0.04 0.89 0.50 3hr6A1 VAL 390 H 0.00 0.48 0.22 -0.55 8.24 8.40 3hr6A1 VAL 390 HA 0.00 -0.07 0.49 -0.75 4.13 3.80 3hr6A1 VAL 390 HB 0.05 0.07 0.00 -0.04 2.12 2.20 3hr6A1 VAL 390 HG13 0.03 0.06 -0.10 -0.04 0.97 0.92 3hr6A1 VAL 390 HG23 0.00 -0.04 -0.46 -0.04 0.95 0.41 3hr6A1 LYS 391 H 0.01 0.04 0.13 -0.55 8.42 8.04 3hr6A1 LYS 391 HA 0.00 0.01 0.42 -0.75 4.32 4.00 3hr6A1 LYS 391 HB2 0.00 -0.02 0.14 -0.04 1.87 1.96 3hr6A1 LYS 391 HB3 0.01 0.00 0.12 -0.04 1.79 1.88 3hr6A1 LYS 391 HG2 0.01 0.06 -0.21 -0.04 1.46 1.27 3hr6A1 LYS 391 HG3 0.01 -0.03 0.04 -0.04 1.46 1.43 3hr6A1 LYS 391 HD2 0.00 -0.02 0.02 -0.04 1.69 1.65 3hr6A1 LYS 391 HD3 0.01 -0.00 0.00 -0.04 1.68 1.64 3hr6A1 LYS 391 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.94 3hr6A1 LYS 391 HE3 0.01 0.03 -0.04 -0.04 2.99 2.94 3hr6A1 SER 392 H 0.01 0.09 0.16 -0.55 8.46 8.18 3hr6A1 SER 392 HA 0.03 -0.01 0.29 -0.75 4.49 4.05 3hr6A1 SER 392 HB2 0.03 0.15 -0.05 -0.04 3.95 4.03 3hr6A1 SER 392 HB3 0.03 0.00 0.15 -0.04 3.93 4.07 3hr6A1 ASP 393 H 0.04 0.23 -0.31 -0.55 8.40 7.81 3hr6A1 ASP 393 HA 0.11 0.12 0.25 -0.75 4.63 4.35 3hr6A1 ASP 393 HB2 0.07 0.05 0.03 -0.04 2.71 2.82 3hr6A1 ASP 393 HB3 0.11 -0.09 0.11 -0.04 2.70 2.78 3hr6A1 PRO 394 HA 0.14 0.08 0.61 -0.51 4.44 4.75 3hr6A1 PRO 394 HB2 0.07 0.14 0.04 -0.04 2.28 2.49 3hr6A1 PRO 394 HB3 0.07 -0.03 0.13 -0.04 2.02 2.15 3hr6A1 PRO 394 HG2 0.13 -0.00 0.04 -0.04 2.03 2.15 3hr6A1 PRO 394 HG3 0.08 0.08 0.13 -0.04 2.03 2.28 3hr6A1 PRO 394 HD2 0.14 -0.02 0.23 -0.04 3.68 3.99 3hr6A1 PRO 394 HD3 0.09 0.30 0.30 -0.04 3.65 4.29 3hr6A1 PRO 395 HA -0.52 0.18 0.63 -0.51 4.44 4.23 3hr6A1 PRO 395 HB2 -0.02 -0.04 0.02 -0.04 2.28 2.21 3hr6A1 PRO 395 HB3 -0.09 0.04 0.20 -0.04 2.02 2.12 3hr6A1 PRO 395 HG2 0.03 -0.01 0.09 -0.04 2.03 2.09 3hr6A1 PRO 395 HG3 0.05 0.02 0.10 -0.04 2.03 2.16 3hr6A1 PRO 395 HD2 0.04 0.06 0.21 -0.04 3.68 3.96 3hr6A1 PRO 395 HD3 0.11 0.13 0.23 -0.04 3.65 4.08 3hr6A1 ILE 396 H -0.06 0.54 0.36 -0.55 8.25 8.53 3hr6A1 ILE 396 HA 0.16 0.10 0.69 -0.75 4.18 4.38 3hr6A1 ILE 396 HB 0.06 -0.12 0.03 -0.04 1.89 1.82 3hr6A1 ILE 396 HG12 0.40 0.04 -0.05 -0.04 1.49 1.84 3hr6A1 ILE 396 HG13 0.10 0.16 -0.07 -0.04 1.21 1.36 3hr6A1 ILE 396 HG23 0.21 -0.02 -0.21 -0.04 0.93 0.88 3hr6A1 ILE 396 HD13 -0.06 -0.04 -0.25 -0.04 0.88 0.49 3hr6A1 SER 397 H 0.15 0.18 0.13 -0.55 8.46 8.37 3hr6A1 SER 397 HA 0.12 0.28 0.79 -0.75 4.49 4.93 3hr6A1 SER 397 HB2 0.07 0.03 -0.10 -0.04 3.95 3.91 3hr6A1 SER 397 HB3 0.09 0.01 0.03 -0.04 3.93 4.03 3hr6A1 LEU 398 H 0.21 0.70 0.26 -0.55 8.37 9.00 3hr6A1 LEU 398 HA 0.15 0.27 0.87 -0.75 4.35 4.89 3hr6A1 LEU 398 HB2 0.29 -0.06 0.10 -0.04 1.64 1.93 3hr6A1 LEU 398 HB3 0.13 0.13 0.03 -0.04 1.64 1.89 3hr6A1 LEU 398 HG 0.19 -0.00 -0.46 -0.04 1.64 1.32 3hr6A1 LEU 398 HD13 -0.20 -0.01 -0.19 -0.04 0.93 0.48 3hr6A1 LEU 398 HD23 0.10 0.06 -0.19 -0.04 0.89 0.83 3hr6A1 ASP 399 H 0.12 0.81 0.08 -0.55 8.40 8.85 3hr6A1 ASP 399 HA 0.07 0.04 0.14 -0.75 4.63 4.12 3hr6A1 ASP 399 HB2 0.09 -0.05 -0.12 -0.04 2.71 2.58 3hr6A1 ASP 399 HB3 0.08 0.07 0.19 -0.04 2.70 3.00 3hr6A1 GLY 400 H 0.07 0.13 -0.27 -0.55 8.43 7.81 3hr6A1 GLY 400 HA2 0.04 0.01 0.20 -0.51 4.01 3.74 3hr6A1 GLY 400 HA3 0.03 0.07 0.38 -0.51 4.01 3.98 3hr6A1 LYS 401 H 0.06 0.44 -0.42 -0.55 8.42 7.94 3hr6A1 LYS 401 HA -0.08 0.16 1.01 -0.75 4.32 4.65 3hr6A1 LYS 401 HB2 -0.01 0.08 0.14 -0.04 1.87 2.04 3hr6A1 LYS 401 HB3 -0.30 0.01 0.14 -0.04 1.79 1.61 3hr6A1 LYS 401 HG2 0.02 0.18 -0.11 -0.04 1.46 1.51 3hr6A1 LYS 401 HG3 0.01 -0.05 0.06 -0.04 1.46 1.44 3hr6A1 LYS 401 HD2 -0.08 -0.06 0.09 -0.04 1.69 1.59 3hr6A1 LYS 401 HD3 -0.03 0.13 -0.10 -0.04 1.68 1.64 3hr6A1 LYS 401 HE2 0.00 0.05 0.00 -0.04 2.99 3.00 3hr6A1 LYS 401 HE3 0.00 -0.04 0.03 -0.04 2.99 2.95 3hr6A1 GLN 402 H -0.18 0.10 0.17 -0.55 8.47 8.02 3hr6A1 GLN 402 HA -0.04 0.00 0.80 -0.75 4.36 4.36 3hr6A1 GLN 402 HB2 -0.06 0.00 -0.01 -0.04 2.15 2.04 3hr6A1 GLN 402 HB3 -0.03 0.00 0.03 -0.04 2.02 1.98 3hr6A1 GLN 402 HG2 0.00 0.04 -0.14 -0.04 2.40 2.26 3hr6A1 GLN 402 HG3 0.02 0.03 -0.34 -0.04 2.39 2.05 3hr6A1 GLN 402 HE21 0.01 0.16 -0.31 -0.04 6.97 6.79 3hr6A1 GLN 402 HE22 0.03 -0.05 -0.40 -0.04 7.69 7.23 3hr6A1 GLU 403 H -0.50 0.15 0.18 -0.55 8.60 7.88 3hr6A1 GLU 403 HA -0.22 0.27 0.60 -0.75 4.29 4.19 3hr6A1 GLU 403 HB2 -0.06 -0.00 0.09 -0.04 2.09 2.07 3hr6A1 GLU 403 HB3 -0.09 0.06 -0.04 -0.04 1.99 1.88 3hr6A1 GLU 403 HG2 -0.16 -0.10 -0.01 -0.04 2.34 2.03 3hr6A1 GLU 403 HG3 -0.14 -0.00 -0.27 -0.04 2.34 1.88 3hr6A1 PHE 404 H 0.10 0.55 0.31 -0.55 8.34 8.74 3hr6A1 PHE 404 HA 0.05 0.13 0.92 -0.75 4.62 4.96 3hr6A1 PHE 404 HB2 0.10 -0.04 0.02 -0.04 3.15 3.19 3hr6A1 PHE 404 HB3 0.05 0.00 -0.08 -0.04 3.06 2.99 3hr6A1 PHE 404 HD2 0.04 0.05 -0.11 -0.04 7.28 7.22 3hr6A1 PHE 404 HE2 0.01 0.05 -0.06 -0.04 7.38 7.33 3hr6A1 PHE 404 HZ 0.01 0.08 -0.06 -0.04 7.32 7.31 3hr6A1 VAL 405 H 0.12 0.21 0.17 -0.55 8.24 8.18 3hr6A1 VAL 405 HA 0.14 0.28 1.07 -0.75 4.13 4.86 3hr6A1 VAL 405 HB 0.05 -0.01 0.09 -0.04 2.12 2.21 3hr6A1 VAL 405 HG13 0.05 0.06 -0.10 -0.04 0.97 0.94 3hr6A1 VAL 405 HG23 0.01 -0.02 -0.16 -0.04 0.95 0.75 3hr6A1 THR 406 H 0.18 0.57 0.30 -0.55 8.28 8.79 3hr6A1 THR 406 HA 0.11 0.18 0.47 -0.75 4.39 4.40 3hr6A1 THR 406 HB 0.12 0.03 -0.13 -0.04 4.32 4.30 3hr6A1 THR 406 HG23 0.24 0.02 -0.10 -0.04 1.22 1.34 3hr6A1 GLY 407 H 0.06 0.41 0.16 -0.55 8.43 8.51 3hr6A1 GLY 407 HA2 0.04 0.20 0.60 -0.51 4.01 4.34 3hr6A1 GLY 407 HA3 0.04 -0.02 0.42 -0.51 4.01 3.94 3hr6A1 GLN 408 H 0.03 0.16 0.16 -0.55 8.47 8.27 3hr6A1 GLN 408 HA 0.03 0.37 0.46 -0.75 4.36 4.46 3hr6A1 GLN 408 HB2 0.02 -0.03 0.09 -0.04 2.15 2.18 3hr6A1 GLN 408 HB3 0.01 -0.07 -0.02 -0.04 2.02 1.90 3hr6A1 GLN 408 HG2 0.00 0.27 -0.26 -0.04 2.40 2.37 3hr6A1 GLN 408 HG3 0.01 -0.02 0.03 -0.04 2.39 2.37 3hr6A1 GLN 408 HE21 -0.00 -0.00 0.01 -0.04 6.97 6.93 3hr6A1 GLN 408 HE22 0.00 0.06 -0.00 -0.04 7.69 7.71 3hr6A1 ASP 409 H 0.03 0.04 -0.21 -0.55 8.40 7.71 3hr6A1 ASP 409 HA 0.03 0.16 0.67 -0.75 4.63 4.73 3hr6A1 ASP 409 HB2 0.01 0.06 0.17 -0.04 2.71 2.92 3hr6A1 ASP 409 HB3 0.02 0.01 0.09 -0.04 2.70 2.78 3hr6A1 GLY 410 H 0.06 0.52 -0.55 -0.55 8.43 7.92 3hr6A1 GLY 410 HA2 0.08 0.07 0.34 -0.51 4.01 3.99 3hr6A1 GLY 410 HA3 0.04 0.32 0.72 -0.51 4.01 4.57 3hr6A1 LYS 411 H 0.03 -0.05 -0.25 -0.55 8.42 7.59 3hr6A1 LYS 411 HA -0.01 0.50 0.75 -0.75 4.32 4.81 3hr6A1 LYS 411 HB2 0.01 -0.10 0.04 -0.04 1.87 1.78 3hr6A1 LYS 411 HB3 -0.01 0.02 -0.03 -0.04 1.79 1.72 3hr6A1 LYS 411 HG2 0.00 0.04 -0.14 -0.04 1.46 1.33 3hr6A1 LYS 411 HG3 -0.00 -0.03 -0.03 -0.04 1.46 1.36 3hr6A1 LYS 411 HD2 -0.02 -0.04 -0.07 -0.04 1.69 1.52 3hr6A1 LYS 411 HD3 -0.03 0.16 -0.04 -0.04 1.68 1.73 3hr6A1 LYS 411 HE2 -0.02 -0.02 -0.08 -0.04 2.99 2.84 3hr6A1 LYS 411 HE3 -0.01 0.06 -0.05 -0.04 2.99 2.95 3hr6A1 ALA 412 H -0.03 0.57 0.35 -0.55 8.40 8.74 3hr6A1 ALA 412 HA 0.05 0.14 0.51 -0.75 4.34 4.28 3hr6A1 ALA 412 HB3 0.07 0.00 -0.14 -0.04 1.41 1.30 3hr6A1 VAL 413 H 0.02 0.22 0.10 -0.55 8.24 8.03 3hr6A1 VAL 413 HA -0.09 0.26 1.02 -0.75 4.13 4.57 3hr6A1 VAL 413 HB -0.01 0.00 0.10 -0.04 2.12 2.18 3hr6A1 VAL 413 HG13 -0.05 -0.01 -0.18 -0.04 0.97 0.70 3hr6A1 VAL 413 HG23 -0.02 -0.00 -0.12 -0.04 0.95 0.77 3hr6A1 LEU 414 H -0.20 0.82 0.27 -0.55 8.37 8.71 3hr6A1 LEU 414 HA -0.41 0.16 0.77 -0.75 4.35 4.11 3hr6A1 LEU 414 HB2 -0.37 -0.03 0.22 -0.04 1.64 1.42 3hr6A1 LEU 414 HB3 -0.50 0.03 0.04 -0.04 1.64 1.17 3hr6A1 LEU 414 HG -2.11 0.07 -0.12 -0.04 1.64 -0.55 3hr6A1 LEU 414 HD13 -0.34 -0.03 -0.43 -0.04 0.93 0.08 3hr6A1 LEU 414 HD23 -0.49 -0.00 -0.14 -0.04 0.89 0.22 3hr6A1 SER 415 H -0.05 0.25 0.04 -0.55 8.46 8.15 3hr6A1 SER 415 HA -0.04 0.00 0.87 -0.75 4.49 4.57 3hr6A1 SER 415 HB2 0.02 0.00 -0.04 -0.04 3.95 3.89 3hr6A1 SER 415 HB3 0.01 0.00 0.04 -0.04 3.93 3.94 3hr6A1 GLY 416 H 0.08 0.23 0.17 -0.55 8.43 8.37 3hr6A1 GLY 416 HA2 0.29 0.03 0.29 -0.51 4.01 4.11 3hr6A1 GLY 416 HA3 0.16 0.06 0.40 -0.51 4.01 4.12 3hr6A1 ILE 417 H 0.09 0.42 0.03 -0.55 8.25 8.25 3hr6A1 ILE 417 HA 0.10 0.14 0.53 -0.75 4.18 4.19 3hr6A1 ILE 417 HB -0.15 -0.07 0.02 -0.04 1.89 1.65 3hr6A1 ILE 417 HG12 -0.22 0.07 -0.18 -0.04 1.49 1.12 3hr6A1 ILE 417 HG13 -0.12 -0.06 -0.32 -0.04 1.21 0.68 3hr6A1 ILE 417 HG23 -0.30 0.02 -0.28 -0.04 0.93 0.34 3hr6A1 ILE 417 HD13 -0.46 -0.02 -0.18 -0.04 0.88 0.18 3hr6A1 HIS 418 H 0.09 0.19 0.18 -0.55 8.41 8.32 3hr6A1 HIS 418 HA -1.29 0.13 0.60 -0.75 4.63 3.31 3hr6A1 HIS 418 HB2 -0.75 0.18 -0.24 -0.04 3.26 2.41 3hr6A1 HIS 418 HB3 -0.31 -0.05 -0.07 -0.04 3.20 2.73 3hr6A1 HIS 418 HD2 -0.58 0.14 0.01 -0.04 6.97 6.49 3hr6A1 HIS 418 HE1 -1.26 0.04 -0.10 -0.04 7.75 6.38 3hr6A1 LEU 419 H -0.22 0.77 0.44 -0.55 8.37 8.81 3hr6A1 LEU 419 HA 0.26 0.15 0.64 -0.75 4.35 4.65 3hr6A1 LEU 419 HB2 0.07 0.09 0.01 -0.04 1.64 1.78 3hr6A1 LEU 419 HB3 0.15 -0.15 -0.02 -0.04 1.64 1.58 3hr6A1 LEU 419 HG -0.01 0.13 -0.16 -0.04 1.64 1.55 3hr6A1 LEU 419 HD13 0.04 -0.05 -0.41 -0.04 0.93 0.47 3hr6A1 LEU 419 HD23 0.10 0.01 -0.23 -0.04 0.89 0.73 3hr6A1 GLY 420 H -0.26 0.36 0.29 -0.55 8.43 8.28 3hr6A1 GLY 420 HA2 -0.45 0.02 0.56 -0.51 4.01 3.63 3hr6A1 GLY 420 HA3 -0.33 0.09 0.48 -0.51 4.01 3.75 3hr6A1 THR 421 H -0.51 0.59 0.36 -0.55 8.28 8.17 3hr6A1 THR 421 HA 0.15 0.24 1.12 -0.75 4.39 5.14 3hr6A1 THR 421 HB 0.02 0.00 0.04 -0.04 4.32 4.34 3hr6A1 THR 421 HG23 0.16 -0.00 -0.26 -0.04 1.22 1.07 3hr6A1 LEU 422 H 0.16 0.82 0.37 -0.55 8.37 9.17 3hr6A1 LEU 422 HA 0.12 0.21 0.85 -0.75 4.35 4.77 3hr6A1 LEU 422 HB2 0.24 -0.02 0.04 -0.04 1.64 1.86 3hr6A1 LEU 422 HB3 0.14 0.04 0.25 -0.04 1.64 2.03 3hr6A1 LEU 422 HG 0.08 -0.02 -0.18 -0.04 1.64 1.48 3hr6A1 LEU 422 HD13 0.12 -0.02 -0.27 -0.04 0.93 0.71 3hr6A1 LEU 422 HD23 0.07 0.05 -0.00 -0.04 0.89 0.97 3hr6A1 GLN 423 H 0.05 0.63 0.37 -0.55 8.47 8.98 3hr6A1 GLN 423 HA 0.04 0.00 0.66 -0.75 4.36 4.30 3hr6A1 GLN 423 HB2 0.03 0.00 0.22 -0.04 2.15 2.36 3hr6A1 GLN 423 HB3 0.06 0.00 0.03 -0.04 2.02 2.07 3hr6A1 GLN 423 HG2 0.02 0.02 -0.07 -0.04 2.40 2.33 3hr6A1 GLN 423 HG3 0.02 0.00 -0.21 -0.04 2.39 2.15 3hr6A1 GLN 423 HE21 0.02 0.10 0.01 -0.04 6.97 7.06 3hr6A1 GLN 423 HE22 -0.01 0.00 -0.05 -0.04 7.69 7.59 3hr6A1 LEU 424 H 0.02 0.31 0.18 -0.55 8.37 8.33 3hr6A1 LEU 424 HA 0.02 0.11 0.26 -0.75 4.35 3.98 3hr6A1 LEU 424 HB2 0.00 0.04 0.11 -0.04 1.64 1.75 3hr6A1 LEU 424 HB3 0.01 0.02 0.07 -0.04 1.64 1.70 3hr6A1 LEU 424 HG 0.01 -0.19 -0.19 -0.04 1.64 1.23 3hr6A1 LEU 424 HD13 0.01 0.04 -0.39 -0.04 0.93 0.54 3hr6A1 LEU 424 HD23 -0.00 0.02 0.00 -0.04 0.89 0.87 3hr6A1 GLU 425 H 0.01 0.85 0.25 -0.55 8.60 9.17 3hr6A1 GLU 425 HA 0.01 0.08 0.66 -0.75 4.29 4.28 3hr6A1 GLU 425 HB2 0.01 0.03 0.14 -0.04 2.09 2.23 3hr6A1 GLU 425 HB3 0.01 -0.01 0.07 -0.04 1.99 2.01 3hr6A1 GLU 425 HG2 0.01 0.11 -0.05 -0.04 2.34 2.37 3hr6A1 GLU 425 HG3 0.01 0.02 -0.54 -0.04 2.34 1.79 3hr6A1 SER 426 H 0.01 0.18 0.08 -0.55 8.46 8.18 3hr6A1 SER 426 HA 0.01 0.05 0.33 -0.75 4.49 4.12 3hr6A1 SER 426 HB2 0.01 0.14 0.07 -0.04 3.95 4.12 3hr6A1 SER 426 HB3 0.01 0.03 0.18 -0.04 3.93 4.11 3hr6A1 ASN 427 H 0.01 0.05 -0.24 -0.55 8.53 7.81 3hr6A1 ASN 427 HA 0.01 -0.02 0.20 -0.75 4.76 4.19 3hr6A1 ASN 427 HB2 0.01 -0.06 -0.23 -0.04 2.88 2.55 3hr6A1 ASN 427 HB3 0.01 0.13 0.07 -0.04 2.79 2.95 3hr6A1 ASN 427 HD21 0.01 0.00 0.05 -0.04 7.03 7.05 3hr6A1 ASN 427 HD22 0.01 0.02 0.04 -0.04 7.74 7.77 3hr6A1 VAL 428 H 0.01 0.47 -0.61 -0.55 8.24 7.56 3hr6A1 VAL 428 HA 0.01 0.16 0.97 -0.75 4.13 4.52 3hr6A1 VAL 428 HB 0.01 0.05 -0.01 -0.04 2.12 2.13 3hr6A1 VAL 428 HG13 0.01 0.04 0.03 -0.04 0.97 1.01 3hr6A1 VAL 428 HG23 0.02 0.02 -0.06 -0.04 0.95 0.89 3hr6A1 MET 429 H 0.02 0.17 0.10 -0.55 8.47 8.22 3hr6A1 MET 429 HA 0.03 0.09 0.33 -0.75 4.52 4.21 3hr6A1 MET 429 HB2 0.03 0.00 0.13 -0.04 2.15 2.27 3hr6A1 MET 429 HB3 0.04 -0.01 -0.10 -0.04 2.03 1.92 3hr6A1 MET 429 HG2 0.02 0.00 -0.01 -0.04 2.63 2.60 3hr6A1 MET 429 HG3 0.02 0.05 -0.03 -0.04 2.56 2.56 3hr6A1 MET 429 HE3 0.00 0.04 0.04 -0.04 2.10 2.14 3hr6A1 LYS 430 H 0.04 0.73 0.43 -0.55 8.42 9.07 3hr6A1 LYS 430 HA 0.06 0.00 0.91 -0.75 4.32 4.54 3hr6A1 LYS 430 HB2 0.03 0.00 -0.09 -0.04 1.87 1.76 3hr6A1 LYS 430 HB3 0.02 0.00 0.11 -0.04 1.79 1.88 3hr6A1 LYS 430 HG2 0.01 -0.04 -0.14 -0.04 1.46 1.25 3hr6A1 LYS 430 HG3 0.04 0.09 -0.11 -0.04 1.46 1.44 3hr6A1 LYS 430 HD2 0.03 0.00 0.03 -0.04 1.69 1.72 3hr6A1 LYS 430 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.63 3hr6A1 LYS 430 HE2 0.04 -0.04 0.06 -0.04 2.99 3.01 3hr6A1 LYS 430 HE3 0.02 -0.03 0.02 -0.04 2.99 2.95 3hr6A1 TYR 431 H 0.16 0.17 0.20 -0.55 8.29 8.28 3hr6A1 TYR 431 HA 0.03 0.37 1.00 -0.75 4.56 5.21 3hr6A1 TYR 431 HB2 0.02 -0.01 -0.05 -0.04 3.06 2.97 3hr6A1 TYR 431 HB3 0.01 -0.05 0.12 -0.04 2.98 3.02 3hr6A1 TYR 431 HD2 0.02 0.02 -0.37 -0.04 7.15 6.79 3hr6A1 TYR 431 HE2 0.01 0.02 -0.31 -0.04 6.85 6.53 3hr6A1 THR 432 H -0.50 0.72 0.35 -0.55 8.28 8.30 3hr6A1 THR 432 HA -0.19 0.14 0.93 -0.75 4.39 4.52 3hr6A1 THR 432 HB -0.20 -0.02 0.11 -0.04 4.32 4.17 3hr6A1 THR 432 HG23 -0.12 0.03 -0.12 -0.04 1.22 0.97 3hr6A1 ASP 433 H -0.12 0.19 0.12 -0.55 8.40 8.04 3hr6A1 ASP 433 HA -0.11 0.15 0.78 -0.75 4.63 4.69 3hr6A1 ASP 433 HB2 0.19 0.04 0.13 -0.04 2.71 3.03 3hr6A1 ASP 433 HB3 0.02 -0.01 0.23 -0.04 2.70 2.90 3hr6A1 ALA 434 H -0.24 0.55 0.41 -0.55 8.40 8.57 3hr6A1 ALA 434 HA -0.33 0.05 0.37 -0.75 4.34 3.68 3hr6A1 ALA 434 HB3 -0.71 0.01 -0.11 -0.04 1.41 0.57 3hr6A1 TRP 435 H 0.09 0.03 -0.36 -0.55 7.97 7.18 3hr6A1 TRP 435 HA -0.12 0.22 0.63 -0.75 4.62 4.60 3hr6A1 TRP 435 HB2 -0.21 -0.05 -0.04 -0.04 3.23 2.90 3hr6A1 TRP 435 HB3 -0.24 0.07 0.06 -0.04 3.23 3.07 3hr6A1 TRP 435 HD1 -0.10 0.04 0.09 -0.04 7.22 7.21 3hr6A1 TRP 435 HE1 -0.02 0.43 0.04 -0.04 10.20 10.61 3hr6A1 TRP 435 HE3 -0.11 0.01 0.00 -0.04 7.59 7.44 3hr6A1 TRP 435 HZ2 0.09 -0.07 -0.05 -0.04 7.44 7.37 3hr6A1 TRP 435 HZ3 0.03 0.02 -0.02 -0.04 7.13 7.11 3hr6A1 TRP 435 HH2 0.09 -0.02 -0.04 -0.04 7.19 7.19 3hr6A1 ALA 436 H -0.03 0.33 -0.37 -0.55 8.40 7.79 3hr6A1 ALA 436 HA 0.02 -0.01 0.43 -0.75 4.34 4.02 3hr6A1 ALA 436 HB3 -0.03 -0.01 0.10 -0.04 1.41 1.43 3hr6A1 GLY 437 H 0.00 0.09 0.16 -0.55 8.43 8.14 3hr6A1 GLY 437 HA2 -0.00 -0.07 0.37 -0.51 4.01 3.79 3hr6A1 GLY 437 HA3 -0.01 0.11 0.50 -0.51 4.01 4.11 3hr6A1 LYS 438 H 0.05 0.68 -0.41 -0.55 8.42 8.18 3hr6A1 LYS 438 HA 0.04 0.10 0.86 -0.75 4.32 4.57 3hr6A1 LYS 438 HB2 0.22 0.07 0.17 -0.04 1.87 2.28 3hr6A1 LYS 438 HB3 0.14 -0.08 0.07 -0.04 1.79 1.87 3hr6A1 LYS 438 HG2 0.02 0.06 -0.23 -0.04 1.46 1.27 3hr6A1 LYS 438 HG3 0.09 0.00 -0.01 -0.04 1.46 1.50 3hr6A1 LYS 438 HD2 0.06 -0.04 0.01 -0.04 1.69 1.69 3hr6A1 LYS 438 HD3 0.03 0.13 0.02 -0.04 1.68 1.81 3hr6A1 LYS 438 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.87 3hr6A1 LYS 438 HE3 0.01 0.04 -0.02 -0.04 2.99 2.97 3hr6A1 GLY 439 H 0.00 0.11 -0.15 -0.55 8.43 7.84 3hr6A1 GLY 439 HA2 -0.02 -0.11 0.25 -0.51 4.01 3.61 3hr6A1 GLY 439 HA3 -0.03 0.10 0.27 -0.51 4.01 3.83 3hr6A1 THR 440 H -0.06 0.56 0.42 -0.55 8.28 8.64 3hr6A1 THR 440 HA -0.05 0.23 1.02 -0.75 4.39 4.83 3hr6A1 THR 440 HB -0.04 0.01 0.06 -0.04 4.32 4.31 3hr6A1 THR 440 HG23 -0.02 -0.03 -0.09 -0.04 1.22 1.03 3hr6A1 GLU 441 H -0.13 0.31 0.29 -0.55 8.60 8.53 3hr6A1 GLU 441 HA -0.20 0.14 0.74 -0.75 4.29 4.22 3hr6A1 GLU 441 HB2 -0.06 -0.02 -0.13 -0.04 2.09 1.84 3hr6A1 GLU 441 HB3 -0.04 0.09 0.07 -0.04 1.99 2.06 3hr6A1 GLU 441 HG2 -0.05 -0.13 -0.56 -0.04 2.34 1.55 3hr6A1 GLU 441 HG3 -0.03 -0.01 -0.16 -0.04 2.34 2.10 3hr6A1 PHE 442 H -0.10 0.15 0.25 -0.55 8.34 8.09 3hr6A1 PHE 442 HA -0.19 0.27 0.99 -0.75 4.62 4.93 3hr6A1 PHE 442 HB2 -0.18 0.08 0.15 -0.04 3.15 3.16 3hr6A1 PHE 442 HB3 -0.20 -0.00 0.11 -0.04 3.06 2.93 3hr6A1 PHE 442 HD2 -0.37 0.04 0.06 -0.04 7.28 6.98 3hr6A1 PHE 442 HE2 -1.07 0.07 -0.04 -0.04 7.38 6.29 3hr6A1 PHE 442 HZ -1.43 0.03 -0.10 -0.04 7.32 5.77 3hr6A1 CYS 443 H 0.11 0.69 0.29 -0.55 8.50 9.04 3hr6A1 CYS 443 HA 0.03 0.19 0.45 -0.75 4.58 4.50 3hr6A1 CYS 443 HB2 0.04 -0.02 -0.32 -0.04 2.97 2.63 3hr6A1 CYS 443 HB3 0.02 0.03 -0.29 -0.04 2.97 2.68 3hr6A1 LEU 444 H 0.05 0.57 0.24 -0.55 8.37 8.68 3hr6A1 LEU 444 HA 0.14 0.34 1.07 -0.75 4.35 5.16 3hr6A1 LEU 444 HB2 0.02 -0.02 0.11 -0.04 1.64 1.71 3hr6A1 LEU 444 HB3 0.16 -0.01 -0.08 -0.04 1.64 1.67 3hr6A1 LEU 444 HG -0.06 -0.04 -0.24 -0.04 1.64 1.26 3hr6A1 LEU 444 HD13 -0.28 -0.00 -0.14 -0.04 0.93 0.47 3hr6A1 LEU 444 HD23 -0.05 0.01 -0.19 -0.04 0.89 0.62 3hr6A1 VAL 445 H 0.27 0.70 0.33 -0.55 8.24 9.00 3hr6A1 VAL 445 HA 0.13 0.18 0.88 -0.75 4.13 4.57 3hr6A1 VAL 445 HB 0.25 -0.04 0.08 -0.04 2.12 2.38 3hr6A1 VAL 445 HG13 0.04 0.01 -0.28 -0.04 0.97 0.71 3hr6A1 VAL 445 HG23 0.00 0.01 -0.19 -0.04 0.95 0.73 3hr6A1 GLU 446 H 0.08 0.26 0.09 -0.55 8.60 8.48 3hr6A1 GLU 446 HA -0.54 0.18 0.91 -0.75 4.29 4.08 3hr6A1 GLU 446 HB2 -0.07 -0.03 0.12 -0.04 2.09 2.07 3hr6A1 GLU 446 HB3 -0.08 0.01 0.21 -0.04 1.99 2.10 3hr6A1 GLU 446 HG2 -0.27 -0.02 -0.19 -0.04 2.34 1.82 3hr6A1 GLU 446 HG3 -0.96 0.08 0.12 -0.04 2.34 1.54 3hr6A1 THR 447 H -0.20 0.50 0.32 -0.55 8.28 8.34 3hr6A1 THR 447 HA -0.04 0.20 0.71 -0.75 4.39 4.51 3hr6A1 THR 447 HB -0.01 -0.01 0.04 -0.04 4.32 4.30 3hr6A1 THR 447 HG23 0.04 0.02 -0.12 -0.04 1.22 1.12 3hr6A1 ALA 448 H -0.18 0.31 0.25 -0.55 8.40 8.23 3hr6A1 ALA 448 HA -0.03 0.14 0.54 -0.75 4.34 4.23 3hr6A1 ALA 448 HB3 -0.03 0.03 -0.00 -0.04 1.41 1.36 3hr6A1 THR 449 H 0.01 0.25 0.14 -0.55 8.28 8.13 3hr6A1 THR 449 HA 0.07 0.10 0.65 -0.75 4.39 4.45 3hr6A1 THR 449 HB 0.02 0.01 -0.21 -0.04 4.32 4.09 3hr6A1 THR 449 HG23 0.11 0.06 -0.29 -0.04 1.22 1.06 3hr6A1 ALA 450 H 0.20 0.04 0.07 -0.55 8.40 8.16 3hr6A1 ALA 450 HA -0.04 0.12 0.64 -0.75 4.34 4.30 3hr6A1 ALA 450 HB3 -0.41 0.00 0.08 -0.04 1.41 1.04 3hr6A1 SER 451 H 0.01 0.16 0.19 -0.55 8.46 8.28 3hr6A1 SER 451 HA 0.05 0.02 0.48 -0.75 4.49 4.29 3hr6A1 SER 451 HB2 0.02 0.02 0.18 -0.04 3.95 4.14 3hr6A1 SER 451 HB3 0.02 0.02 -0.03 -0.04 3.93 3.91 3hr6A1 GLY 452 H 0.04 0.15 0.21 -0.55 8.43 8.28 3hr6A1 GLY 452 HA2 -0.03 0.00 0.34 -0.51 4.01 3.81 3hr6A1 GLY 452 HA3 -0.06 0.07 0.46 -0.51 4.01 3.96 3hr6A1 TYR 453 H 0.22 0.37 -0.29 -0.55 8.29 8.04 3hr6A1 TYR 453 HA 0.06 0.16 0.80 -0.75 4.56 4.83 3hr6A1 TYR 453 HB2 0.14 0.05 -0.06 -0.04 3.06 3.15 3hr6A1 TYR 453 HB3 0.14 0.01 -0.07 -0.04 2.98 3.02 3hr6A1 TYR 453 HD2 0.09 0.04 -0.56 -0.04 7.15 6.69 3hr6A1 TYR 453 HE2 0.08 -0.00 -0.20 -0.04 6.85 6.69 3hr6A1 GLU 454 H 0.15 0.59 0.32 -0.55 8.60 9.12 3hr6A1 GLU 454 HA 0.06 0.08 0.72 -0.75 4.29 4.39 3hr6A1 GLU 454 HB2 0.06 -0.07 0.08 -0.04 2.09 2.12 3hr6A1 GLU 454 HB3 0.03 0.05 0.02 -0.04 1.99 2.05 3hr6A1 GLU 454 HG2 0.02 0.07 0.03 -0.04 2.34 2.41 3hr6A1 GLU 454 HG3 0.02 -0.06 -0.02 -0.04 2.34 2.24 3hr6A1 LEU 455 H 0.04 0.13 0.10 -0.55 8.37 8.10 3hr6A1 LEU 455 HA 0.02 -0.01 0.44 -0.75 4.35 4.05 3hr6A1 LEU 455 HB2 0.01 -0.03 0.03 -0.04 1.64 1.61 3hr6A1 LEU 455 HB3 -0.00 0.18 -0.13 -0.04 1.64 1.65 3hr6A1 LEU 455 HG 0.02 -0.05 -0.07 -0.04 1.64 1.50 3hr6A1 LEU 455 HD13 -0.00 0.02 -0.07 -0.04 0.93 0.84 3hr6A1 LEU 455 HD23 -0.04 0.03 -0.37 -0.04 0.89 0.46 3hr6A1 LEU 456 H 0.02 0.05 0.15 -0.55 8.37 8.04 3hr6A1 LEU 456 HA 0.03 0.11 0.65 -0.75 4.35 4.38 3hr6A1 LEU 456 HB2 0.06 -0.09 0.21 -0.04 1.64 1.77 3hr6A1 LEU 456 HB3 0.05 0.14 0.03 -0.04 1.64 1.82 3hr6A1 LEU 456 HG 0.04 0.03 0.08 -0.04 1.64 1.74 3hr6A1 LEU 456 HD13 0.04 0.01 0.04 -0.04 0.93 0.98 3hr6A1 LEU 456 HD23 0.12 -0.00 0.01 -0.04 0.89 0.97 3hr6A1 PRO 457 HA 0.01 0.09 0.30 -0.51 4.44 4.34 3hr6A1 PRO 457 HB2 0.01 -0.00 -0.02 -0.04 2.28 2.22 3hr6A1 PRO 457 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 3hr6A1 PRO 457 HG2 0.01 -0.00 0.08 -0.04 2.03 2.08 3hr6A1 PRO 457 HG3 0.01 0.01 0.09 -0.04 2.03 2.10 3hr6A1 PRO 457 HD2 0.02 0.02 0.25 -0.04 3.68 3.93 3hr6A1 PRO 457 HD3 0.02 0.32 0.31 -0.04 3.65 4.25 3hr6A1 LYS 458 H 0.02 0.11 -0.17 -0.55 8.42 7.82 3hr6A1 LYS 458 HA 0.00 0.20 0.92 -0.75 4.32 4.68 3hr6A1 LYS 458 HB2 0.01 -0.06 0.01 -0.04 1.87 1.78 3hr6A1 LYS 458 HB3 0.00 0.13 0.05 -0.04 1.79 1.93 3hr6A1 LYS 458 HG2 0.00 0.06 -0.09 -0.04 1.46 1.39 3hr6A1 LYS 458 HG3 0.00 -0.09 -0.20 -0.04 1.46 1.13 3hr6A1 LYS 458 HD2 0.00 -0.03 -0.02 -0.04 1.69 1.60 3hr6A1 LYS 458 HD3 -0.00 0.05 -0.02 -0.04 1.68 1.67 3hr6A1 LYS 458 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 3hr6A1 LYS 458 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.92 3hr6A1 PRO 459 HA 0.05 0.23 0.60 -0.51 4.44 4.81 3hr6A1 PRO 459 HB2 0.01 0.05 -0.12 -0.04 2.28 2.18 3hr6A1 PRO 459 HB3 0.03 -0.04 -0.19 -0.04 2.02 1.78 3hr6A1 PRO 459 HG2 -0.02 0.01 0.05 -0.04 2.03 2.02 3hr6A1 PRO 459 HG3 -0.03 0.01 -0.02 -0.04 2.03 1.96 3hr6A1 PRO 459 HD2 -0.00 0.13 0.20 -0.04 3.68 3.97 3hr6A1 PRO 459 HD3 -0.01 0.15 0.19 -0.04 3.65 3.94 3hr6A1 VAL 460 H 0.06 0.60 0.31 -0.55 8.24 8.67 3hr6A1 VAL 460 HA 0.01 0.12 0.75 -0.75 4.13 4.26 3hr6A1 VAL 460 HB 0.01 -0.11 0.17 -0.04 2.12 2.15 3hr6A1 VAL 460 HG13 -0.03 0.03 -0.13 -0.04 0.97 0.80 3hr6A1 VAL 460 HG23 0.06 0.02 -0.00 -0.04 0.95 0.99 3hr6A1 ILE 461 H -0.00 0.16 0.09 -0.55 8.25 7.95 3hr6A1 ILE 461 HA 0.00 0.14 0.37 -0.75 4.18 3.94 3hr6A1 ILE 461 HB -0.01 -0.04 0.07 -0.04 1.89 1.87 3hr6A1 ILE 461 HG12 -0.01 0.05 0.02 -0.04 1.49 1.51 3hr6A1 ILE 461 HG13 -0.01 -0.00 -0.05 -0.04 1.21 1.11 3hr6A1 ILE 461 HG23 -0.01 -0.01 -0.18 -0.04 0.93 0.69 3hr6A1 ILE 461 HD13 -0.01 -0.01 -0.19 -0.04 0.88 0.63 3hr6A1 VAL 462 H 0.01 0.77 0.17 -0.55 8.24 8.64 3hr6A1 VAL 462 HA -0.03 0.13 0.68 -0.75 4.13 4.15 3hr6A1 VAL 462 HB -0.02 -0.05 -0.10 -0.04 2.12 1.91 3hr6A1 VAL 462 HG13 -0.09 -0.01 -0.26 -0.04 0.97 0.56 3hr6A1 VAL 462 HG23 -0.07 0.06 -0.27 -0.04 0.95 0.63 3hr6A1 LYS 463 H -0.02 0.18 -0.01 -0.55 8.42 8.01 3hr6A1 LYS 463 HA 0.01 0.00 0.58 -0.75 4.32 4.16 3hr6A1 LYS 463 HB2 -0.02 0.01 0.17 -0.04 1.87 1.98 3hr6A1 LYS 463 HB3 -0.01 0.00 0.01 -0.04 1.79 1.74 3hr6A1 LYS 463 HG2 -0.01 0.00 -0.02 -0.04 1.46 1.38 3hr6A1 LYS 463 HG3 -0.02 -0.02 -0.07 -0.04 1.46 1.31 3hr6A1 LYS 463 HD2 -0.02 0.01 0.00 -0.04 1.69 1.65 3hr6A1 LYS 463 HD3 -0.02 -0.00 0.01 -0.04 1.68 1.63 3hr6A1 LYS 463 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 3hr6A1 LYS 463 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 3hr6A1 LEU 464 H 0.08 0.27 0.10 -0.55 8.37 8.28 3hr6A1 LEU 464 HA -0.01 0.13 0.58 -0.75 4.35 4.30 3hr6A1 LEU 464 HB2 -0.09 0.01 -0.41 -0.04 1.64 1.12 3hr6A1 LEU 464 HB3 0.00 0.00 0.03 -0.04 1.64 1.63 3hr6A1 LEU 464 HG -0.07 0.01 -0.27 -0.04 1.64 1.28 3hr6A1 LEU 464 HD13 -0.09 0.03 -0.28 -0.04 0.93 0.55 3hr6A1 LEU 464 HD23 -0.40 -0.03 -0.24 -0.04 0.89 0.18 3hr6A1 GLU 465 H 0.01 0.33 0.10 -0.55 8.60 8.50 3hr6A1 GLU 465 HA 0.08 0.13 0.69 -0.75 4.29 4.44 3hr6A1 GLU 465 HB2 0.03 0.04 0.10 -0.04 2.09 2.22 3hr6A1 GLU 465 HB3 0.02 0.04 -0.24 -0.04 1.99 1.77 3hr6A1 GLU 465 HG2 -0.01 -0.09 -0.12 -0.04 2.34 2.08 3hr6A1 GLU 465 HG3 -0.02 0.03 -0.34 -0.04 2.34 1.96 3hr6A1 ALA 466 H 0.05 0.21 0.13 -0.55 8.40 8.24 3hr6A1 ALA 466 HA -0.09 0.19 0.84 -0.75 4.34 4.53 3hr6A1 ALA 466 HB3 0.02 0.02 -0.07 -0.04 1.41 1.34 3hr6A1 ASN 467 H -0.32 0.24 0.18 -0.55 8.53 8.08 3hr6A1 ASN 467 HA -1.25 0.16 0.46 -0.75 4.76 3.37 3hr6A1 ASN 467 HB2 -0.21 -0.06 0.17 -0.04 2.88 2.74 3hr6A1 ASN 467 HB3 -0.23 0.18 -0.14 -0.04 2.79 2.56 3hr6A1 ASN 467 HD21 -0.08 0.05 -0.11 -0.04 7.03 6.86 3hr6A1 ASN 467 HD22 -0.10 0.08 -0.23 -0.04 7.74 7.45 3hr6A1 GLU 468 H -0.17 0.18 0.13 -0.55 8.60 8.20 3hr6A1 GLU 468 HA 0.04 0.11 0.30 -0.75 4.29 3.98 3hr6A1 GLU 468 HB2 0.05 0.08 0.04 -0.04 2.09 2.22 3hr6A1 GLU 468 HB3 0.08 -0.07 0.13 -0.04 1.99 2.09 3hr6A1 GLU 468 HG2 -0.03 -0.13 0.09 -0.04 2.34 2.23 3hr6A1 GLU 468 HG3 0.00 0.08 -0.16 -0.04 2.34 2.22 3hr6A1 SER 469 H -0.08 -0.03 -0.30 -0.55 8.46 7.51 3hr6A1 SER 469 HA -0.01 0.22 0.62 -0.75 4.49 4.56 3hr6A1 SER 469 HB2 -0.01 0.05 0.06 -0.04 3.95 4.00 3hr6A1 SER 469 HB3 -0.03 -0.04 0.01 -0.04 3.93 3.84 3hr6A1 THR 470 H -0.08 0.27 -0.29 -0.55 8.28 7.63 3hr6A1 THR 470 HA -0.02 -0.04 0.37 -0.75 4.39 3.94 3hr6A1 THR 470 HB -0.03 0.11 0.14 -0.04 4.32 4.50 3hr6A1 THR 470 HG23 0.02 0.01 -0.05 -0.04 1.22 1.16 3hr6A1 ASN 471 H 0.01 0.00 0.23 -0.55 8.53 8.23 3hr6A1 ASN 471 HA 0.04 0.17 0.65 -0.75 4.76 4.86 3hr6A1 ASN 471 HB2 0.03 -0.04 0.18 -0.04 2.88 3.00 3hr6A1 ASN 471 HB3 0.02 0.11 -0.15 -0.04 2.79 2.73 3hr6A1 ASN 471 HD21 0.01 -0.04 -0.01 -0.04 7.03 6.95 3hr6A1 ASN 471 HD22 0.01 -0.00 -0.00 -0.04 7.74 7.71 3hr6A1 VAL 472 H 0.02 0.03 0.17 -0.55 8.24 7.91 3hr6A1 VAL 472 HA 0.03 0.26 0.61 -0.75 4.13 4.27 3hr6A1 VAL 472 HB 0.01 -0.03 0.16 -0.04 2.12 2.22 3hr6A1 VAL 472 HG13 0.01 -0.01 -0.11 -0.04 0.97 0.82 3hr6A1 VAL 472 HG23 0.01 0.01 -0.10 -0.04 0.95 0.82 3hr6A1 LEU 473 H 0.03 0.07 -0.04 -0.55 8.37 7.88 3hr6A1 LEU 473 HA 0.07 0.09 0.34 -0.75 4.35 4.10 3hr6A1 LEU 473 HB2 0.03 -0.01 -0.14 -0.04 1.64 1.48 3hr6A1 LEU 473 HB3 0.02 -0.02 0.03 -0.04 1.64 1.62 3hr6A1 LEU 473 HG 0.02 0.10 -0.33 -0.04 1.64 1.38 3hr6A1 LEU 473 HD13 0.08 0.04 -0.20 -0.04 0.93 0.80 3hr6A1 LEU 473 HD23 0.01 -0.00 -0.11 -0.04 0.89 0.74 3hr6A1 VAL 474 H 0.05 0.49 0.40 -0.55 8.24 8.63 3hr6A1 VAL 474 HA -0.00 0.09 0.72 -0.75 4.13 4.19 3hr6A1 VAL 474 HB 0.01 -0.07 0.12 -0.04 2.12 2.15 3hr6A1 VAL 474 HG13 -0.02 -0.01 -0.07 -0.04 0.97 0.83 3hr6A1 VAL 474 HG23 0.01 0.02 -0.01 -0.04 0.95 0.94 3hr6A1 GLU 475 H -0.02 0.23 0.25 -0.55 8.60 8.51 3hr6A1 GLU 475 HA -0.05 0.34 1.08 -0.75 4.29 4.91 3hr6A1 GLU 475 HB2 -0.03 -0.02 0.02 -0.04 2.09 2.02 3hr6A1 GLU 475 HB3 -0.04 -0.02 -0.05 -0.04 1.99 1.84 3hr6A1 GLU 475 HG2 -0.02 0.06 -0.20 -0.04 2.34 2.14 3hr6A1 GLU 475 HG3 -0.01 0.07 -0.49 -0.04 2.34 1.87 3hr6A1 GLN 476 H -0.08 0.50 0.36 -0.55 8.47 8.71 3hr6A1 GLN 476 HA -0.05 0.12 0.65 -0.75 4.36 4.33 3hr6A1 GLN 476 HB2 -0.06 0.16 -0.06 -0.04 2.15 2.15 3hr6A1 GLN 476 HB3 -0.09 -0.10 0.02 -0.04 2.02 1.81 3hr6A1 GLN 476 HG2 -0.06 -0.13 -0.05 -0.04 2.40 2.12 3hr6A1 GLN 476 HG3 -0.07 0.04 -0.26 -0.04 2.39 2.06 3hr6A1 GLN 476 HE21 -0.03 -0.06 0.12 -0.04 6.97 6.96 3hr6A1 GLN 476 HE22 -0.03 0.34 0.17 -0.04 7.69 8.13 3hr6A1 LYS 477 H -0.05 0.19 0.14 -0.55 8.42 8.15 3hr6A1 LYS 477 HA -0.08 0.23 0.94 -0.75 4.32 4.66 3hr6A1 LYS 477 HB2 -0.05 -0.02 0.05 -0.04 1.87 1.81 3hr6A1 LYS 477 HB3 -0.04 -0.01 0.13 -0.04 1.79 1.82 3hr6A1 LYS 477 HG2 -0.06 0.00 -0.27 -0.04 1.46 1.09 3hr6A1 LYS 477 HG3 -0.05 0.01 -0.07 -0.04 1.46 1.31 3hr6A1 LYS 477 HD2 -0.03 -0.01 -0.05 -0.04 1.69 1.55 3hr6A1 LYS 477 HD3 -0.03 0.01 -0.09 -0.04 1.68 1.52 3hr6A1 LYS 477 HE2 -0.03 0.00 -0.06 -0.04 2.99 2.86 3hr6A1 LYS 477 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.87 3hr6A1 VAL 478 H -0.10 0.83 0.31 -0.55 8.24 8.73 3hr6A1 VAL 478 HA -0.08 0.15 0.87 -0.75 4.13 4.32 3hr6A1 VAL 478 HB -0.17 -0.06 0.08 -0.04 2.12 1.92 3hr6A1 VAL 478 HG13 -0.12 0.01 -0.17 -0.04 0.97 0.65 3hr6A1 VAL 478 HG23 -0.11 0.01 -0.28 -0.04 0.95 0.53 3hr6A1 LYS 479 H -0.06 0.20 0.12 -0.55 8.42 8.12 3hr6A1 LYS 479 HA -0.07 0.24 0.85 -0.75 4.32 4.58 3hr6A1 LYS 479 HB2 -0.04 -0.02 0.14 -0.04 1.87 1.91 3hr6A1 LYS 479 HB3 -0.04 0.03 -0.03 -0.04 1.79 1.71 3hr6A1 LYS 479 HG2 -0.05 0.02 -0.06 -0.04 1.46 1.33 3hr6A1 LYS 479 HG3 -0.04 -0.02 -0.05 -0.04 1.46 1.31 3hr6A1 LYS 479 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 3hr6A1 LYS 479 HD3 -0.03 0.02 -0.04 -0.04 1.68 1.59 3hr6A1 LYS 479 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.87 3hr6A1 LYS 479 HE3 -0.02 0.00 -0.03 -0.04 2.99 2.90 3hr6A1 ILE 480 H -0.09 0.73 0.29 -0.55 8.25 8.63 3hr6A1 ILE 480 HA -0.05 0.15 0.90 -0.75 4.18 4.42 3hr6A1 ILE 480 HB -0.09 -0.04 0.02 -0.04 1.89 1.74 3hr6A1 ILE 480 HG12 -0.07 0.08 -0.22 -0.04 1.49 1.24 3hr6A1 ILE 480 HG13 -0.14 -0.03 -0.64 -0.04 1.21 0.35 3hr6A1 ILE 480 HG23 0.05 -0.00 -0.18 -0.04 0.93 0.76 3hr6A1 ILE 480 HD13 -0.28 -0.01 -0.13 -0.04 0.88 0.42 3hr6A1 ASP 481 H -0.05 0.25 0.12 -0.55 8.40 8.18 3hr6A1 ASP 481 HA -0.14 0.11 0.88 -0.75 4.63 4.73 3hr6A1 ASP 481 HB2 -0.04 0.03 -0.05 -0.04 2.71 2.61 3hr6A1 ASP 481 HB3 -0.02 0.03 0.11 -0.04 2.70 2.77 3hr6A1 ASN 482 H -0.39 0.85 0.33 -0.55 8.53 8.78 3hr6A1 ASN 482 HA -0.04 0.16 0.83 -0.75 4.76 4.95 3hr6A1 ASN 482 HB2 -0.97 0.00 0.21 -0.04 2.88 2.08 3hr6A1 ASN 482 HB3 -0.07 0.02 0.06 -0.04 2.79 2.75 3hr6A1 LYS 483 H 0.18 0.32 0.25 -0.55 8.42 8.61 3hr6A1 LYS 483 HA 0.23 0.09 0.93 -0.75 4.32 4.81 3hr6A1 LYS 483 HB2 0.08 0.07 0.09 -0.04 1.87 2.07 3hr6A1 LYS 483 HB3 0.06 -0.03 0.02 -0.04 1.79 1.80 3hr6A1 LYS 483 HG2 0.06 -0.01 -0.51 -0.04 1.46 0.96 3hr6A1 LYS 483 HG3 0.04 0.07 -0.06 -0.04 1.46 1.47 3hr6A1 LYS 483 HD2 0.03 0.02 -0.02 -0.04 1.69 1.69 3hr6A1 LYS 483 HD3 0.06 -0.05 0.03 -0.04 1.68 1.69 3hr6A1 LYS 483 HE2 0.03 0.02 -0.04 -0.04 2.99 2.96 3hr6A1 LYS 483 HE3 0.04 -0.06 -0.08 -0.04 2.99 2.86 3hr6A1 LYS 484 H -0.01 0.16 0.08 -0.55 8.42 8.10 3hr6A1 LYS 484 HA -0.23 0.27 0.71 -0.75 4.32 4.31 3hr6A1 LYS 484 HB2 -0.10 -0.02 0.11 -0.04 1.87 1.81 3hr6A1 LYS 484 HB3 -0.18 0.10 0.12 -0.04 1.79 1.79 3hr6A1 LYS 484 HG2 -0.91 0.03 -0.06 -0.04 1.46 0.48 3hr6A1 LYS 484 HG3 -0.20 -0.05 0.04 -0.04 1.46 1.21 3hr6A1 LYS 484 HD2 -0.12 -0.03 0.01 -0.04 1.69 1.51 3hr6A1 LYS 484 HD3 -0.20 0.04 0.03 -0.04 1.68 1.51 3hr6A1 LYS 484 HE2 -0.49 0.08 -0.09 -0.04 2.99 2.45 3hr6A1 LYS 484 HE3 -0.20 -0.03 -0.07 -0.04 2.99 2.64