============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 12 1.000 -14.029 29.537 88.618 -99.200 -91.000 PHE 16 1.000 -5.263 22.822 91.294 -99.200 -91.000 TYR 28 0.840 33.443 35.885 82.210 -99.200 -91.000 TYR 30 0.840 21.624 41.305 81.200 -99.200 -91.000 TYR 31 0.840 25.564 32.759 75.323 -99.200 -91.000 TRP 32 1.040 29.306 33.535 78.701 -99.200 -91.000 TRP6 32 1.020 29.434 31.369 77.758 -99.200 -91.000 TRP 34 1.040 18.706 32.436 78.236 -99.200 -91.000 TRP6 34 1.020 19.388 30.820 76.648 -99.200 -91.000 PHE 43 1.000 12.273 15.605 82.493 -99.200 -91.000 TYR 72 0.840 18.453 36.390 82.081 -99.200 -91.000 TYR 73 0.840 16.425 38.185 90.950 -99.200 -91.000 HIS 78 0.900 8.425 18.278 94.592 -99.200 -91.000 PHE 105 1.000 25.677 36.037 94.536 -99.200 -91.000 PHE 119 1.000 27.152 23.317 106.065 -99.200 -91.000 PHE 123 1.000 29.605 19.228 103.475 -99.200 -91.000 PHE 124 1.000 32.161 19.227 92.591 -99.200 -91.000 TYR 128 0.840 42.156 21.287 98.503 -99.200 -91.000 TRP 140 1.040 29.602 28.044 102.400 -99.200 -91.000 TRP6 140 1.020 30.966 27.334 104.196 -99.200 -91.000 PHE 149 1.000 28.736 27.637 91.881 -99.200 -91.000 TYR 157 0.840 11.144 26.507 101.877 -99.200 -91.000 PHE 166 1.000 -3.973 34.506 78.816 -99.200 -91.000 PHE 167 1.000 -8.124 26.993 78.661 -99.200 -91.000 PHE 197 1.000 2.660 23.243 80.322 -99.200 -91.000 TYR 213 0.840 -7.417 4.804 76.068 -99.200 -91.000 PHE 215 1.000 -3.981 3.209 80.708 -99.200 -91.000 PHE 224 1.000 -12.377 24.346 76.947 -99.200 -91.000 TYR 245 0.840 -1.190 27.260 70.104 -99.200 -91.000 TYR 282 0.840 -9.012 21.559 87.020 -99.200 -91.000 HIS 289 0.900 -4.029 29.728 96.169 -99.200 -91.000 PHE 297 1.000 -8.745 41.878 81.279 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1m5hG1 MET 6001 HA -0.01 -0.10 0.23 -0.75 4.52 3.89 1m5hG1 MET 6001 HB2 0.01 -0.05 0.07 -0.04 2.15 2.14 1m5hG1 MET 6001 HB3 -0.00 0.14 0.11 -0.04 2.03 2.23 1m5hG1 MET 6001 HG2 -0.05 -0.02 -0.31 -0.04 2.63 2.21 1m5hG1 MET 6001 HG3 0.01 -0.02 -0.05 -0.04 2.56 2.45 1m5hG1 MET 6001 HE3 0.09 0.01 -0.31 -0.04 2.10 1.85 1m5hG1 LYS 6002 H -0.04 0.15 0.11 -0.55 8.42 8.08 1m5hG1 LYS 6002 HA -0.09 0.34 0.92 -0.75 4.32 4.74 1m5hG1 LYS 6002 HB2 -0.04 -0.07 -0.03 -0.04 1.87 1.69 1m5hG1 LYS 6002 HB3 -0.05 -0.08 -0.32 -0.04 1.79 1.29 1m5hG1 LYS 6002 HG2 -0.04 0.05 -0.34 -0.04 1.46 1.10 1m5hG1 LYS 6002 HG3 -0.03 -0.00 -0.37 -0.04 1.46 1.02 1m5hG1 LYS 6002 HD2 -0.02 -0.05 -0.12 -0.04 1.69 1.46 1m5hG1 LYS 6002 HD3 -0.03 0.05 -0.24 -0.04 1.68 1.42 1m5hG1 LYS 6002 HE2 -0.01 -0.02 -0.06 -0.04 2.99 2.86 1m5hG1 LYS 6002 HE3 -0.02 0.01 -0.09 -0.04 2.99 2.85 1m5hG1 VAL 6003 H -0.16 0.82 0.18 -0.55 8.24 8.54 1m5hG1 VAL 6003 HA -0.18 0.10 0.91 -0.75 4.13 4.21 1m5hG1 VAL 6003 HB -0.38 0.06 0.06 -0.04 2.12 1.82 1m5hG1 VAL 6003 HG13 -0.33 0.01 -0.16 -0.04 0.97 0.45 1m5hG1 VAL 6003 HG23 -0.97 -0.00 -0.20 -0.04 0.95 -0.26 1m5hG1 ASN 6004 H -0.07 0.15 0.09 -0.55 8.53 8.16 1m5hG1 ASN 6004 HA -0.03 -0.00 0.31 -0.75 4.76 4.28 1m5hG1 ASN 6004 HB2 -0.06 0.12 -0.31 -0.04 2.88 2.58 1m5hG1 ASN 6004 HB3 -0.03 0.13 0.21 -0.04 2.79 3.06 1m5hG1 ASN 6004 HD21 -0.01 -0.01 -0.02 -0.04 7.03 6.95 1m5hG1 ASN 6004 HD22 -0.05 -0.08 -0.13 -0.04 7.74 7.44 1m5hG1 GLY 6005 H -0.05 0.03 -0.36 -0.55 8.43 7.50 1m5hG1 GLY 6005 HA2 -0.03 -0.05 0.20 -0.51 4.01 3.62 1m5hG1 GLY 6005 HA3 -0.02 0.12 0.41 -0.51 4.01 4.01 1m5hG1 VAL 6006 H -0.07 0.49 -0.61 -0.55 8.24 7.51 1m5hG1 VAL 6006 HA -0.03 0.19 0.94 -0.75 4.13 4.48 1m5hG1 VAL 6006 HB -0.07 0.05 0.05 -0.04 2.12 2.11 1m5hG1 VAL 6006 HG13 -0.02 0.02 -0.31 -0.04 0.97 0.62 1m5hG1 VAL 6006 HG23 -0.02 0.06 -0.06 -0.04 0.95 0.88 1m5hG1 GLU 6007 H -0.02 0.25 0.16 -0.55 8.60 8.43 1m5hG1 GLU 6007 HA -0.04 0.16 0.55 -0.75 4.29 4.21 1m5hG1 GLU 6007 HB2 -0.02 -0.00 0.16 -0.04 2.09 2.19 1m5hG1 GLU 6007 HB3 -0.01 0.07 0.30 -0.04 1.99 2.30 1m5hG1 GLU 6007 HG2 -0.01 -0.05 -0.28 -0.04 2.34 1.97 1m5hG1 GLU 6007 HG3 -0.01 0.08 -0.00 -0.04 2.34 2.36 1m5hG1 VAL 6008 H -0.06 0.74 0.35 -0.55 8.24 8.72 1m5hG1 VAL 6008 HA -0.04 0.13 1.03 -0.75 4.13 4.49 1m5hG1 VAL 6008 HB -0.11 0.00 0.01 -0.04 2.12 1.98 1m5hG1 VAL 6008 HG13 -0.04 0.00 -0.17 -0.04 0.97 0.72 1m5hG1 VAL 6008 HG23 -0.26 0.02 -0.14 -0.04 0.95 0.53 1m5hG1 GLU 6009 H 0.00 0.67 0.32 -0.55 8.60 9.04 1m5hG1 GLU 6009 HA 0.00 0.05 0.48 -0.75 4.29 4.07 1m5hG1 GLU 6009 HB2 0.01 0.05 0.14 -0.04 2.09 2.25 1m5hG1 GLU 6009 HB3 -0.00 -0.10 0.24 -0.04 1.99 2.08 1m5hG1 GLU 6009 HG2 -0.00 -0.07 -0.35 -0.04 2.34 1.88 1m5hG1 GLU 6009 HG3 0.00 0.02 0.00 -0.04 2.34 2.33 1m5hG1 GLU 6010 H 0.02 0.16 0.16 -0.55 8.60 8.39 1m5hG1 GLU 6010 HA 0.05 0.09 0.53 -0.75 4.29 4.20 1m5hG1 GLU 6010 HB2 0.03 -0.03 0.26 -0.04 2.09 2.31 1m5hG1 GLU 6010 HB3 0.04 -0.05 0.18 -0.04 1.99 2.12 1m5hG1 GLU 6010 HG2 0.04 0.03 0.03 -0.04 2.34 2.39 1m5hG1 GLU 6010 HG3 0.02 0.11 0.13 -0.04 2.34 2.56 1m5hG1 THR 6011 H 0.03 0.51 0.03 -0.55 8.28 8.30 1m5hG1 THR 6011 HA 0.11 0.22 0.87 -0.75 4.39 4.83 1m5hG1 THR 6011 HB -0.03 0.02 -0.18 -0.04 4.32 4.09 1m5hG1 THR 6011 HG23 -0.11 0.05 -0.08 -0.04 1.22 1.03 1m5hG1 PHE 6012 H -0.34 0.21 0.11 -0.55 8.34 7.77 1m5hG1 PHE 6012 HA -0.02 0.21 1.10 -0.75 4.62 5.16 1m5hG1 PHE 6012 HB2 -0.02 0.02 -0.19 -0.04 3.15 2.92 1m5hG1 PHE 6012 HB3 -0.01 -0.04 -0.30 -0.04 3.06 2.67 1m5hG1 PHE 6012 HD2 -0.02 0.13 -0.28 -0.04 7.28 7.06 1m5hG1 PHE 6012 HE2 -0.01 -0.01 -0.13 -0.04 7.38 7.19 1m5hG1 PHE 6012 HZ -0.00 -0.02 -0.25 -0.04 7.32 7.01 1m5hG1 ALA 6013 H 0.13 0.56 0.35 -0.55 8.40 8.90 1m5hG1 ALA 6013 HA -0.10 0.20 0.62 -0.75 4.34 4.31 1m5hG1 ALA 6013 HB3 0.05 0.04 0.21 -0.04 1.41 1.67 1m5hG1 GLU 6014 H 0.04 0.54 0.29 -0.55 8.60 8.92 1m5hG1 GLU 6014 HA 0.11 0.20 0.97 -0.75 4.29 4.82 1m5hG1 GLU 6014 HB2 0.21 -0.09 -0.02 -0.04 2.09 2.16 1m5hG1 GLU 6014 HB3 0.22 -0.00 0.29 -0.04 1.99 2.46 1m5hG1 GLU 6014 HG2 -0.24 0.03 -0.11 -0.04 2.34 1.98 1m5hG1 GLU 6014 HG3 0.06 0.11 -0.09 -0.04 2.34 2.37 1m5hG1 ALA 6015 H 0.00 0.64 0.22 -0.55 8.40 8.72 1m5hG1 ALA 6015 HA 0.05 0.22 0.87 -0.75 4.34 4.73 1m5hG1 ALA 6015 HB3 0.07 0.01 -0.20 -0.04 1.41 1.24 1m5hG1 PHE 6016 H 0.33 0.68 0.35 -0.55 8.34 9.16 1m5hG1 PHE 6016 HA 0.20 0.07 1.12 -0.75 4.62 5.25 1m5hG1 PHE 6016 HB2 0.04 0.02 0.02 -0.04 3.15 3.19 1m5hG1 PHE 6016 HB3 0.05 -0.03 0.18 -0.04 3.06 3.21 1m5hG1 PHE 6016 HD2 0.02 0.09 -0.04 -0.04 7.28 7.31 1m5hG1 PHE 6016 HE2 -0.06 -0.02 -0.20 -0.04 7.38 7.06 1m5hG1 PHE 6016 HZ -0.66 -0.03 -0.08 -0.04 7.32 6.50 1m5hG1 ASP 6017 H 0.30 0.14 0.20 -0.55 8.40 8.50 1m5hG1 ASP 6017 HA 0.14 0.27 0.77 -0.75 4.63 5.05 1m5hG1 ASP 6017 HB2 0.19 -0.04 0.17 -0.04 2.71 3.00 1m5hG1 ASP 6017 HB3 0.13 0.01 -0.04 -0.04 2.70 2.75 1m5hG1 ILE 6018 H 0.06 0.62 0.19 -0.55 8.25 8.58 1m5hG1 ILE 6018 HA 0.05 0.10 0.53 -0.75 4.18 4.11 1m5hG1 ILE 6018 HB 0.05 -0.00 -0.51 -0.04 1.89 1.39 1m5hG1 ILE 6018 HG12 0.03 0.07 -0.16 -0.04 1.49 1.39 1m5hG1 ILE 6018 HG13 0.01 -0.01 -0.20 -0.04 1.21 0.96 1m5hG1 ILE 6018 HG23 0.04 0.00 -0.56 -0.04 0.93 0.37 1m5hG1 ILE 6018 HD13 -0.01 -0.01 -0.21 -0.04 0.88 0.61 1m5hG1 LYS 6019 H 0.06 0.49 0.20 -0.55 8.42 8.62 1m5hG1 LYS 6019 HA 0.11 0.18 0.88 -0.75 4.32 4.74 1m5hG1 LYS 6019 HB2 0.06 0.15 0.10 -0.04 1.87 2.14 1m5hG1 LYS 6019 HB3 0.06 -0.02 -0.06 -0.04 1.79 1.74 1m5hG1 LYS 6019 HG2 0.08 0.04 -0.11 -0.04 1.46 1.43 1m5hG1 LYS 6019 HG3 0.05 -0.16 -0.27 -0.04 1.46 1.04 1m5hG1 LYS 6019 HD2 0.26 -0.00 -0.12 -0.04 1.69 1.80 1m5hG1 LYS 6019 HD3 0.14 0.04 -0.10 -0.04 1.68 1.73 1m5hG1 LYS 6019 HE2 0.12 -0.12 -0.04 -0.04 2.99 2.90 1m5hG1 LYS 6019 HE3 0.17 0.01 -0.06 -0.04 2.99 3.06 1m5hG1 ILE 6020 H 0.13 0.62 0.38 -0.55 8.25 8.82 1m5hG1 ILE 6020 HA 0.06 0.32 1.08 -0.75 4.18 4.90 1m5hG1 ILE 6020 HB 0.06 -0.04 -0.02 -0.04 1.89 1.85 1m5hG1 ILE 6020 HG12 0.05 0.08 -0.32 -0.04 1.49 1.25 1m5hG1 ILE 6020 HG13 0.05 -0.10 -0.64 -0.04 1.21 0.48 1m5hG1 ILE 6020 HG23 0.06 0.00 -0.31 -0.04 0.93 0.63 1m5hG1 ILE 6020 HD13 0.03 0.03 -0.27 -0.04 0.88 0.63 1m5hG1 ALA 6021 H 0.07 0.62 0.34 -0.55 8.40 8.88 1m5hG1 ALA 6021 HA 0.15 0.19 1.07 -0.75 4.34 4.99 1m5hG1 ALA 6021 HB3 0.07 -0.00 0.01 -0.04 1.41 1.44 1m5hG1 ARG 6022 H 0.10 0.35 0.21 -0.55 8.46 8.57 1m5hG1 ARG 6022 HA 0.10 0.36 1.05 -0.75 4.34 5.10 1m5hG1 ARG 6022 HB2 0.06 -0.04 -0.07 -0.04 1.90 1.80 1m5hG1 ARG 6022 HB3 0.09 -0.16 -0.20 -0.04 1.80 1.49 1m5hG1 ARG 6022 HG2 0.16 0.04 -0.04 -0.04 1.67 1.79 1m5hG1 ARG 6022 HG3 0.06 -0.01 -0.08 -0.04 1.67 1.59 1m5hG1 ARG 6022 HD2 -0.04 -0.09 -0.04 -0.04 3.22 3.00 1m5hG1 ARG 6022 HD3 -0.07 0.38 0.04 -0.04 3.22 3.52 1m5hG1 VAL 6023 H 0.14 0.68 0.35 -0.55 8.24 8.86 1m5hG1 VAL 6023 HA 0.14 0.09 1.13 -0.75 4.13 4.74 1m5hG1 VAL 6023 HB 0.09 0.00 0.02 -0.04 2.12 2.19 1m5hG1 VAL 6023 HG13 0.08 0.02 -0.13 -0.04 0.97 0.90 1m5hG1 VAL 6023 HG23 0.07 -0.00 -0.23 -0.04 0.95 0.75 1m5hG1 LEU 6024 H 0.17 0.56 0.30 -0.55 8.37 8.86 1m5hG1 LEU 6024 HA -0.06 0.21 0.94 -0.75 4.35 4.69 1m5hG1 LEU 6024 HB2 0.06 0.01 -0.05 -0.04 1.64 1.62 1m5hG1 LEU 6024 HB3 0.20 -0.00 0.01 -0.04 1.64 1.81 1m5hG1 LEU 6024 HG 0.09 -0.02 -0.45 -0.04 1.64 1.22 1m5hG1 LEU 6024 HD13 -0.65 0.03 -0.19 -0.04 0.93 0.09 1m5hG1 LEU 6024 HD23 -0.02 -0.01 -0.12 -0.04 0.89 0.70 1m5hG1 ILE 6025 H 0.02 0.64 0.35 -0.55 8.25 8.70 1m5hG1 ILE 6025 HA 0.10 0.30 1.10 -0.75 4.18 4.93 1m5hG1 ILE 6025 HB 0.10 -0.03 0.18 -0.04 1.89 2.10 1m5hG1 ILE 6025 HG12 0.06 0.04 -0.09 -0.04 1.49 1.47 1m5hG1 ILE 6025 HG13 0.07 -0.10 -0.45 -0.04 1.21 0.69 1m5hG1 ILE 6025 HG23 0.08 0.00 -0.05 -0.04 0.93 0.93 1m5hG1 ILE 6025 HD13 0.02 -0.01 -0.18 -0.04 0.88 0.67 1m5hG1 THR 6026 H 0.16 0.43 0.30 -0.55 8.28 8.62 1m5hG1 THR 6026 HA 0.10 0.20 1.19 -0.75 4.39 5.13 1m5hG1 THR 6026 HB 0.10 0.13 -0.04 -0.04 4.32 4.47 1m5hG1 THR 6026 HG23 0.08 -0.06 -0.29 -0.04 1.22 0.92 1m5hG1 GLY 6027 H 0.11 0.60 0.16 -0.55 8.43 8.76 1m5hG1 GLY 6027 HA2 0.13 0.37 0.37 -0.51 4.01 4.38 1m5hG1 GLY 6027 HA3 0.19 -0.09 0.18 -0.51 4.01 3.78 1m5hG1 TYR 6028 H 0.24 0.13 0.09 -0.55 8.29 8.20 1m5hG1 TYR 6028 HA 0.07 0.13 0.45 -0.75 4.56 4.45 1m5hG1 TYR 6028 HB2 0.32 -0.11 0.14 -0.04 3.06 3.37 1m5hG1 TYR 6028 HB3 0.22 -0.00 -0.04 -0.04 2.98 3.11 1m5hG1 TYR 6028 HD2 0.04 -0.00 -0.00 -0.04 7.15 7.15 1m5hG1 TYR 6028 HE2 -0.05 0.03 0.01 -0.04 6.85 6.80 1m5hG1 ASP 6029 H 0.41 0.06 -0.05 -0.55 8.40 8.27 1m5hG1 ASP 6029 HA -0.02 0.26 0.59 -0.75 4.63 4.71 1m5hG1 ASP 6029 HB2 0.12 -0.09 0.19 -0.04 2.71 2.88 1m5hG1 ASP 6029 HB3 0.16 0.21 -0.07 -0.04 2.70 2.96 1m5hG1 TYR 6030 H 0.04 0.22 0.13 -0.55 8.29 8.13 1m5hG1 TYR 6030 HA 0.21 0.12 0.31 -0.75 4.56 4.45 1m5hG1 TYR 6030 HB2 0.11 -0.01 0.12 -0.04 3.06 3.24 1m5hG1 TYR 6030 HB3 0.22 0.07 -0.00 -0.04 2.98 3.23 1m5hG1 TYR 6030 HD2 -0.12 0.02 0.05 -0.04 7.15 7.07 1m5hG1 TYR 6030 HE2 -0.12 0.08 0.08 -0.04 6.85 6.85 1m5hG1 TYR 6031 H 0.29 0.08 -0.16 -0.55 8.29 7.95 1m5hG1 TYR 6031 HA 0.08 0.14 0.39 -0.75 4.56 4.42 1m5hG1 TYR 6031 HB2 -0.14 0.05 0.07 -0.04 3.06 2.99 1m5hG1 TYR 6031 HB3 -0.30 -0.07 0.06 -0.04 2.98 2.63 1m5hG1 TYR 6031 HD2 -1.03 -0.02 -0.05 -0.04 7.15 6.01 1m5hG1 TYR 6031 HE2 -0.95 0.03 -0.05 -0.04 6.85 5.84 1m5hG1 TRP 6032 H 0.17 0.03 -0.19 -0.55 7.97 7.44 1m5hG1 TRP 6032 HA -0.23 0.10 0.41 -0.75 4.62 4.15 1m5hG1 TRP 6032 HB2 0.08 -0.18 0.09 -0.04 3.23 3.18 1m5hG1 TRP 6032 HB3 -0.05 0.23 -0.02 -0.04 3.23 3.36 1m5hG1 TRP 6032 HD1 0.24 -0.08 0.01 -0.04 7.22 7.34 1m5hG1 TRP 6032 HE1 0.22 0.03 -0.02 -0.04 10.20 10.39 1m5hG1 TRP 6032 HE3 -0.12 0.04 0.05 -0.04 7.59 7.52 1m5hG1 TRP 6032 HZ2 0.16 0.01 -0.02 -0.04 7.44 7.56 1m5hG1 TRP 6032 HZ3 0.02 0.04 0.01 -0.04 7.13 7.16 1m5hG1 TRP 6032 HH2 0.14 0.02 -0.01 -0.04 7.19 7.31 1m5hG1 ALA 6033 H 0.32 0.36 -0.28 -0.55 8.40 8.25 1m5hG1 ALA 6033 HA 0.18 0.14 0.23 -0.75 4.34 4.14 1m5hG1 ALA 6033 HB3 0.32 0.04 -0.12 -0.04 1.41 1.61 1m5hG1 TRP 6034 H 0.42 0.46 -0.31 -0.55 7.97 7.99 1m5hG1 TRP 6034 HA -0.27 -0.01 0.37 -0.75 4.62 3.95 1m5hG1 TRP 6034 HB2 -0.04 0.03 0.10 -0.04 3.23 3.29 1m5hG1 TRP 6034 HB3 -0.10 0.15 0.19 -0.04 3.23 3.43 1m5hG1 TRP 6034 HD1 -0.64 0.00 -0.03 -0.04 7.22 6.51 1m5hG1 TRP 6034 HE1 -0.15 0.02 -0.04 -0.04 10.20 10.00 1m5hG1 TRP 6034 HE3 -0.27 0.09 -0.15 -0.04 7.59 7.23 1m5hG1 TRP 6034 HZ2 -0.05 0.01 -0.04 -0.04 7.44 7.32 1m5hG1 TRP 6034 HZ3 -0.04 -0.01 -0.05 -0.04 7.13 6.99 1m5hG1 TRP 6034 HH2 -0.02 0.00 -0.04 -0.04 7.19 7.09 1m5hG1 VAL 6035 H -0.03 0.47 -0.15 -0.55 8.24 7.98 1m5hG1 VAL 6035 HA -0.50 -0.01 0.38 -0.75 4.13 3.24 1m5hG1 VAL 6035 HB -0.00 0.17 0.15 -0.04 2.12 2.40 1m5hG1 VAL 6035 HG13 0.00 -0.00 -0.13 -0.04 0.97 0.80 1m5hG1 VAL 6035 HG23 -0.50 0.02 0.02 -0.04 0.95 0.45 1m5hG1 ALA 6036 H -0.07 0.36 -0.31 -0.55 8.40 7.83 1m5hG1 ALA 6036 HA -0.12 0.14 0.57 -0.75 4.34 4.18 1m5hG1 ALA 6036 HB3 -0.03 0.02 0.11 -0.04 1.41 1.47 1m5hG1 ALA 6037 H -0.18 0.50 -0.05 -0.55 8.40 8.13 1m5hG1 ALA 6037 HA -0.11 0.01 0.32 -0.75 4.34 3.81 1m5hG1 ALA 6037 HB3 -0.17 -0.00 -0.00 -0.04 1.41 1.19 1m5hG1 ASN 6038 H -0.76 0.74 -0.19 -0.55 8.53 7.78 1m5hG1 ASN 6038 HA -0.46 -0.02 0.29 -0.75 4.76 3.81 1m5hG1 ASN 6038 HB2 -2.10 -0.01 0.05 -0.04 2.88 0.79 1m5hG1 ASN 6038 HB3 -1.12 0.09 0.11 -0.04 2.79 1.83 1m5hG1 ASN 6038 HD21 -0.06 -0.05 -0.04 -0.04 7.03 6.83 1m5hG1 ASN 6038 HD22 -0.25 -0.01 -0.01 -0.04 7.74 7.43 1m5hG1 GLU 6039 H -0.34 0.50 -0.16 -0.55 8.60 8.05 1m5hG1 GLU 6039 HA -0.14 -0.05 0.40 -0.75 4.29 3.75 1m5hG1 GLU 6039 HB2 -0.15 0.02 0.17 -0.04 2.09 2.08 1m5hG1 GLU 6039 HB3 -0.14 0.15 0.22 -0.04 1.99 2.19 1m5hG1 GLU 6039 HG2 -0.08 0.01 0.03 -0.04 2.34 2.26 1m5hG1 GLU 6039 HG3 -0.07 0.00 -0.16 -0.04 2.34 2.07 1m5hG1 ALA 6040 H -0.14 0.64 -0.13 -0.55 8.40 8.22 1m5hG1 ALA 6040 HA -0.06 -0.01 0.26 -0.75 4.34 3.78 1m5hG1 ALA 6040 HB3 -0.06 -0.02 -0.08 -0.04 1.41 1.21 1m5hG1 THR 6041 H -0.12 0.41 -0.54 -0.55 8.28 7.48 1m5hG1 THR 6041 HA -0.04 0.13 0.74 -0.75 4.39 4.46 1m5hG1 THR 6041 HB -0.04 -0.09 -0.11 -0.04 4.32 4.04 1m5hG1 THR 6041 HG23 -0.04 -0.01 -0.17 -0.04 1.22 0.96 1m5hG1 GLY 6042 H -0.05 0.48 -0.26 -0.55 8.43 8.05 1m5hG1 GLY 6042 HA2 -0.01 -0.01 0.45 -0.51 4.01 3.93 1m5hG1 GLY 6042 HA3 -0.01 0.01 0.32 -0.51 4.01 3.83 1m5hG1 PHE 6043 H 0.10 0.07 0.13 -0.55 8.34 8.09 1m5hG1 PHE 6043 HA -0.06 -0.08 0.37 -0.75 4.62 4.10 1m5hG1 PHE 6043 HB2 -0.04 -0.03 0.05 -0.04 3.15 3.08 1m5hG1 PHE 6043 HB3 -0.04 0.16 -0.07 -0.04 3.06 3.07 1m5hG1 PHE 6043 HD2 -0.04 -0.02 0.06 -0.04 7.28 7.23 1m5hG1 PHE 6043 HE2 -0.03 -0.01 0.04 -0.04 7.38 7.34 1m5hG1 PHE 6043 HZ -0.02 0.06 0.09 -0.04 7.32 7.40 1m5hG1 GLY 6044 H -0.01 0.03 -0.27 -0.55 8.43 7.63 1m5hG1 GLY 6044 HA2 -0.19 0.21 0.71 -0.51 4.01 4.23 1m5hG1 GLY 6044 HA3 -0.10 0.11 0.22 -0.51 4.01 3.74 1m5hG1 THR 6045 H -0.17 0.02 0.09 -0.55 8.28 7.67 1m5hG1 THR 6045 HA -0.31 0.47 0.63 -0.75 4.39 4.43 1m5hG1 THR 6045 HB -1.46 -0.07 -0.02 -0.04 4.32 2.73 1m5hG1 THR 6045 HG23 -0.24 0.03 0.09 -0.04 1.22 1.06 1m5hG1 SER 6046 H -0.20 0.17 0.07 -0.55 8.46 7.95 1m5hG1 SER 6046 HA -0.06 0.17 0.58 -0.75 4.49 4.43 1m5hG1 SER 6046 HB2 0.03 0.15 -0.18 -0.04 3.95 3.90 1m5hG1 SER 6046 HB3 -0.07 -0.02 -0.06 -0.04 3.93 3.73 1m5hG1 VAL 6047 H -0.06 0.17 0.03 -0.55 8.24 7.83 1m5hG1 VAL 6047 HA -0.14 0.35 0.38 -0.75 4.13 3.97 1m5hG1 VAL 6047 HB -0.15 -0.01 -0.02 -0.04 2.12 1.90 1m5hG1 VAL 6047 HG13 -0.10 -0.00 -0.06 -0.04 0.97 0.76 1m5hG1 VAL 6047 HG23 -0.21 0.02 -0.01 -0.04 0.95 0.71 1m5hG1 ILE 6048 H -0.05 -0.03 -0.33 -0.55 8.25 7.29 1m5hG1 ILE 6048 HA -0.04 0.09 0.34 -0.75 4.18 3.82 1m5hG1 ILE 6048 HB 0.00 -0.08 -0.02 -0.04 1.89 1.75 1m5hG1 ILE 6048 HG12 0.01 0.01 -0.09 -0.04 1.49 1.38 1m5hG1 ILE 6048 HG13 -0.02 0.06 -0.04 -0.04 1.21 1.17 1m5hG1 ILE 6048 HG23 0.01 0.02 -0.22 -0.04 0.93 0.69 1m5hG1 ILE 6048 HD13 -0.05 -0.01 -0.09 -0.04 0.88 0.69 1m5hG1 MET 6049 H -0.05 -0.02 -0.26 -0.55 8.47 7.59 1m5hG1 MET 6049 HA -0.02 0.24 0.63 -0.75 4.52 4.61 1m5hG1 MET 6049 HB2 0.02 -0.04 -0.32 -0.04 2.15 1.77 1m5hG1 MET 6049 HB3 0.04 -0.05 -0.07 -0.04 2.03 1.91 1m5hG1 MET 6049 HG2 0.05 -0.05 0.01 -0.04 2.63 2.61 1m5hG1 MET 6049 HG3 0.09 0.00 0.13 -0.04 2.56 2.74 1m5hG1 MET 6049 HE3 0.03 -0.02 0.02 -0.04 2.10 2.08 1m5hG1 CYS 6050 H -0.12 0.23 0.10 -0.55 8.50 8.16 1m5hG1 CYS 6050 HA -0.60 0.20 0.87 -0.75 4.58 4.29 1m5hG1 CYS 6050 HB2 -0.23 0.21 0.09 -0.04 2.97 3.00 1m5hG1 CYS 6050 HB3 -0.47 0.30 0.07 -0.04 2.97 2.83 1m5hG1 PRO 6051 HA -0.12 0.02 0.38 -0.51 4.44 4.20 1m5hG1 PRO 6051 HB2 -0.18 0.08 0.03 -0.04 2.28 2.17 1m5hG1 PRO 6051 HB3 -0.10 -0.05 0.10 -0.04 2.02 1.93 1m5hG1 PRO 6051 HG2 -0.30 0.06 0.10 -0.04 2.03 1.85 1m5hG1 PRO 6051 HG3 -0.23 -0.01 0.08 -0.04 2.03 1.83 1m5hG1 PRO 6051 HD2 -0.94 0.46 0.32 -0.04 3.68 3.48 1m5hG1 PRO 6051 HD3 -1.66 0.07 0.30 -0.04 3.65 2.32 1m5hG1 ALA 6052 H -0.23 0.28 -0.32 -0.55 8.40 7.59 1m5hG1 ALA 6052 HA -0.08 -0.01 0.36 -0.75 4.34 3.86 1m5hG1 ALA 6052 HB3 -0.00 0.08 -0.04 -0.04 1.41 1.41 1m5hG1 GLU 6053 H -0.04 0.42 0.15 -0.55 8.60 8.58 1m5hG1 GLU 6053 HA -0.08 0.30 0.54 -0.75 4.29 4.30 1m5hG1 GLU 6053 HB2 -0.02 -0.10 0.00 -0.04 2.09 1.94 1m5hG1 GLU 6053 HB3 0.00 0.06 -0.11 -0.04 1.99 1.90 1m5hG1 GLU 6053 HG2 -0.04 0.29 -0.50 -0.04 2.34 2.04 1m5hG1 GLU 6053 HG3 -0.07 -0.13 -0.50 -0.04 2.34 1.60 1m5hG1 ALA 6054 H -0.04 0.75 0.31 -0.55 8.40 8.87 1m5hG1 ALA 6054 HA 0.01 0.14 0.84 -0.75 4.34 4.57 1m5hG1 ALA 6054 HB3 -0.02 0.00 0.02 -0.04 1.41 1.37 1m5hG1 GLY 6055 H 0.01 0.41 0.32 -0.55 8.43 8.63 1m5hG1 GLY 6055 HA2 -0.00 0.09 0.36 -0.51 4.01 3.95 1m5hG1 GLY 6055 HA3 0.03 0.07 0.39 -0.51 4.01 3.98 1m5hG1 ILE 6056 H 0.02 0.17 0.12 -0.55 8.25 8.01 1m5hG1 ILE 6056 HA 0.06 0.07 0.71 -0.75 4.18 4.27 1m5hG1 ILE 6056 HB 0.05 0.01 0.11 -0.04 1.89 2.02 1m5hG1 ILE 6056 HG12 -0.17 -0.02 -0.08 -0.04 1.49 1.18 1m5hG1 ILE 6056 HG13 -0.11 0.01 -0.13 -0.04 1.21 0.94 1m5hG1 ILE 6056 HG23 0.11 0.01 -0.25 -0.04 0.93 0.76 1m5hG1 ILE 6056 HD13 -0.10 -0.03 -0.14 -0.04 0.88 0.57 1m5hG1 GLU 6057 H 0.16 0.56 0.40 -0.55 8.60 9.17 1m5hG1 GLU 6057 HA 0.11 0.30 0.76 -0.75 4.29 4.70 1m5hG1 GLU 6057 HB2 0.12 -0.10 -0.12 -0.04 2.09 1.94 1m5hG1 GLU 6057 HB3 0.20 -0.08 0.08 -0.04 1.99 2.14 1m5hG1 GLU 6057 HG2 0.09 0.09 -0.17 -0.04 2.34 2.31 1m5hG1 GLU 6057 HG3 0.07 0.24 -0.01 -0.04 2.34 2.60 1m5hG1 ILE 6058 H 0.28 0.17 0.30 -0.55 8.25 8.45 1m5hG1 ILE 6058 HA 0.19 0.22 0.66 -0.75 4.18 4.50 1m5hG1 ILE 6058 HB 0.12 0.17 -0.29 -0.04 1.89 1.85 1m5hG1 ILE 6058 HG12 0.09 -0.08 0.02 -0.04 1.49 1.47 1m5hG1 ILE 6058 HG13 0.10 -0.09 0.18 -0.04 1.21 1.36 1m5hG1 ILE 6058 HG23 0.22 -0.00 -0.10 -0.04 0.93 1.01 1m5hG1 ILE 6058 HD13 0.08 0.03 0.13 -0.04 0.88 1.07 1m5hG1 LYS 6059 H 0.11 0.17 0.17 -0.55 8.42 8.31 1m5hG1 LYS 6059 HA -0.47 0.11 0.62 -0.75 4.32 3.83 1m5hG1 LYS 6059 HB2 -0.08 0.01 0.13 -0.04 1.87 1.90 1m5hG1 LYS 6059 HB3 -0.17 -0.03 -0.10 -0.04 1.79 1.45 1m5hG1 LYS 6059 HG2 -0.87 0.02 0.10 -0.04 1.46 0.67 1m5hG1 LYS 6059 HG3 -0.10 0.03 0.06 -0.04 1.46 1.41 1m5hG1 LYS 6059 HD2 -0.27 0.02 0.01 -0.04 1.69 1.41 1m5hG1 LYS 6059 HD3 -0.86 -0.04 -0.01 -0.04 1.68 0.74 1m5hG1 LYS 6059 HE2 -0.49 -0.02 0.00 -0.04 2.99 2.44 1m5hG1 LYS 6059 HE3 -0.77 -0.05 0.01 -0.04 2.99 2.15 1m5hG1 ALA 6060 H -0.12 0.73 0.26 -0.55 8.40 8.73 1m5hG1 ALA 6060 HA 0.11 0.13 0.76 -0.75 4.34 4.59 1m5hG1 ALA 6060 HB3 -0.24 -0.02 -0.24 -0.04 1.41 0.87 1m5hG1 LYS 6061 H 0.08 0.17 0.04 -0.55 8.42 8.15 1m5hG1 LYS 6061 HA 0.14 0.15 0.55 -0.75 4.32 4.41 1m5hG1 LYS 6061 HB2 0.05 -0.02 0.05 -0.04 1.87 1.91 1m5hG1 LYS 6061 HB3 0.06 0.00 0.07 -0.04 1.79 1.88 1m5hG1 LYS 6061 HG2 0.10 0.03 -0.01 -0.04 1.46 1.54 1m5hG1 LYS 6061 HG3 0.07 0.01 -0.04 -0.04 1.46 1.45 1m5hG1 LYS 6061 HD2 0.04 0.01 -0.01 -0.04 1.69 1.69 1m5hG1 LYS 6061 HD3 0.05 -0.00 -0.01 -0.04 1.68 1.68 1m5hG1 LYS 6061 HE2 0.03 0.00 -0.01 -0.04 2.99 2.97 1m5hG1 LYS 6061 HE3 0.03 0.03 -0.03 -0.04 2.99 2.98 1m5hG1 PRO 6062 HA -0.04 0.17 0.01 -0.51 4.44 4.06 1m5hG1 PRO 6062 HB2 -0.02 -0.01 -0.03 -0.04 2.28 2.17 1m5hG1 PRO 6062 HB3 -0.04 0.42 -0.10 -0.04 2.02 2.26 1m5hG1 PRO 6062 HG2 -0.07 0.04 0.06 -0.04 2.03 2.02 1m5hG1 PRO 6062 HG3 -0.12 0.01 -0.17 -0.04 2.03 1.70 1m5hG1 PRO 6062 HD2 0.02 0.09 0.17 -0.04 3.68 3.92 1m5hG1 PRO 6062 HD3 -0.00 0.11 0.23 -0.04 3.65 3.94 1m5hG1 SER 6063 H 0.01 0.02 -0.48 -0.55 8.46 7.47 1m5hG1 SER 6063 HA -0.01 0.16 0.44 -0.75 4.49 4.33 1m5hG1 SER 6063 HB2 0.01 0.03 0.07 -0.04 3.95 4.01 1m5hG1 SER 6063 HB3 0.01 -0.02 0.02 -0.04 3.93 3.90 1m5hG1 GLU 6064 H 0.01 0.59 -0.41 -0.55 8.60 8.24 1m5hG1 GLU 6064 HA 0.02 0.19 0.81 -0.75 4.29 4.56 1m5hG1 GLU 6064 HB2 0.07 0.04 -0.01 -0.04 2.09 2.15 1m5hG1 GLU 6064 HB3 0.10 -0.01 0.06 -0.04 1.99 2.09 1m5hG1 GLU 6064 HG2 0.05 0.05 -0.07 -0.04 2.34 2.32 1m5hG1 GLU 6064 HG3 0.04 -0.12 -0.17 -0.04 2.34 2.05 1m5hG1 THR 6065 H -0.04 0.21 -0.19 -0.55 8.28 7.71 1m5hG1 THR 6065 HA -0.10 0.24 0.79 -0.75 4.39 4.57 1m5hG1 THR 6065 HB -0.18 -0.10 -0.05 -0.04 4.32 3.95 1m5hG1 THR 6065 HG23 -0.08 0.06 -0.28 -0.04 1.22 0.88 1m5hG1 PRO 6066 HA -0.18 0.12 0.33 -0.51 4.44 4.20 1m5hG1 PRO 6066 HB2 -1.11 -0.04 -0.10 -0.04 2.28 0.99 1m5hG1 PRO 6066 HB3 -0.30 0.15 0.01 -0.04 2.02 1.84 1m5hG1 PRO 6066 HG2 -0.49 -0.02 0.03 -0.04 2.03 1.51 1m5hG1 PRO 6066 HG3 -0.19 0.12 0.07 -0.04 2.03 1.98 1m5hG1 PRO 6066 HD2 -0.64 0.03 0.09 -0.04 3.68 3.11 1m5hG1 PRO 6066 HD3 -0.20 0.23 0.22 -0.04 3.65 3.87 1m5hG1 ASP 6067 H -0.40 0.05 -0.31 -0.55 8.40 7.19 1m5hG1 ASP 6067 HA -0.07 0.19 0.79 -0.75 4.63 4.78 1m5hG1 ASP 6067 HB2 0.07 0.05 0.02 -0.04 2.71 2.81 1m5hG1 ASP 6067 HB3 0.12 -0.02 -0.09 -0.04 2.70 2.66 1m5hG1 GLY 6068 H -0.11 0.16 -0.34 -0.55 8.43 7.60 1m5hG1 GLY 6068 HA2 -0.05 0.33 0.36 -0.51 4.01 4.14 1m5hG1 GLY 6068 HA3 -0.03 0.06 0.48 -0.51 4.01 4.01 1m5hG1 ARG 6069 H -0.03 -0.04 -0.19 -0.55 8.46 7.65 1m5hG1 ARG 6069 HA -0.03 0.21 0.89 -0.75 4.34 4.65 1m5hG1 ARG 6069 HB2 0.05 -0.04 -0.08 -0.04 1.90 1.79 1m5hG1 ARG 6069 HB3 0.04 0.18 0.13 -0.04 1.80 2.11 1m5hG1 ARG 6069 HG2 0.04 0.04 -0.15 -0.04 1.67 1.57 1m5hG1 ARG 6069 HG3 0.03 -0.11 -0.40 -0.04 1.67 1.14 1m5hG1 ARG 6069 HD2 0.12 -0.05 -0.14 -0.04 3.22 3.10 1m5hG1 ARG 6069 HD3 0.12 -0.08 -0.16 -0.04 3.22 3.07 1m5hG1 PRO 6070 HA -0.22 0.13 0.42 -0.51 4.44 4.27 1m5hG1 PRO 6070 HB2 -0.35 -0.11 -0.29 -0.04 2.28 1.48 1m5hG1 PRO 6070 HB3 -1.35 -0.01 0.07 -0.04 2.02 0.69 1m5hG1 PRO 6070 HG2 -0.24 -0.02 0.14 -0.04 2.03 1.88 1m5hG1 PRO 6070 HG3 -0.30 0.03 0.11 -0.04 2.03 1.84 1m5hG1 PRO 6070 HD2 -0.03 0.34 0.06 -0.04 3.68 4.01 1m5hG1 PRO 6070 HD3 -0.07 0.16 0.28 -0.04 3.65 3.98 1m5hG1 GLY 6071 H -0.03 0.45 0.33 -0.55 8.43 8.62 1m5hG1 GLY 6071 HA2 0.11 0.04 0.58 -0.51 4.01 4.23 1m5hG1 GLY 6071 HA3 -0.01 0.07 0.39 -0.51 4.01 3.96 1m5hG1 TYR 6072 H 0.11 0.64 0.38 -0.55 8.29 8.87 1m5hG1 TYR 6072 HA 0.06 0.16 0.86 -0.75 4.56 4.90 1m5hG1 TYR 6072 HB2 0.08 -0.01 -0.03 -0.04 3.06 3.06 1m5hG1 TYR 6072 HB3 0.10 0.08 -0.06 -0.04 2.98 3.06 1m5hG1 TYR 6072 HD2 0.18 -0.01 -0.34 -0.04 7.15 6.94 1m5hG1 TYR 6072 HE2 0.23 0.08 -0.02 -0.04 6.85 7.10 1m5hG1 TYR 6073 H 0.29 0.59 0.33 -0.55 8.29 8.95 1m5hG1 TYR 6073 HA 0.13 0.25 1.04 -0.75 4.56 5.22 1m5hG1 TYR 6073 HB2 0.10 -0.08 0.20 -0.04 3.06 3.24 1m5hG1 TYR 6073 HB3 0.09 0.02 0.04 -0.04 2.98 3.09 1m5hG1 TYR 6073 HD2 0.08 0.05 -0.12 -0.04 7.15 7.12 1m5hG1 TYR 6073 HE2 0.05 0.00 -0.04 -0.04 6.85 6.82 1m5hG1 ILE 6074 H 0.19 0.70 0.45 -0.55 8.25 9.03 1m5hG1 ILE 6074 HA 0.12 0.10 1.15 -0.75 4.18 4.79 1m5hG1 ILE 6074 HB 0.04 0.11 0.04 -0.04 1.89 2.05 1m5hG1 ILE 6074 HG12 0.08 0.09 0.03 -0.04 1.49 1.66 1m5hG1 ILE 6074 HG13 0.07 -0.10 -0.22 -0.04 1.21 0.92 1m5hG1 ILE 6074 HG23 0.04 -0.01 -0.21 -0.04 0.93 0.70 1m5hG1 ILE 6074 HD13 0.01 0.01 -0.18 -0.04 0.88 0.68 1m5hG1 GLN 6075 H 0.06 0.61 0.31 -0.55 8.47 8.91 1m5hG1 GLN 6075 HA 0.07 0.31 1.07 -0.75 4.36 5.06 1m5hG1 GLN 6075 HB2 0.06 0.02 -0.07 -0.04 2.15 2.12 1m5hG1 GLN 6075 HB3 0.05 -0.03 -0.16 -0.04 2.02 1.84 1m5hG1 GLN 6075 HG2 0.06 0.02 -0.18 -0.04 2.40 2.26 1m5hG1 GLN 6075 HG3 0.08 -0.04 -0.38 -0.04 2.39 2.01 1m5hG1 GLN 6075 HE21 0.03 0.27 -0.49 -0.04 6.97 6.75 1m5hG1 GLN 6075 HE22 0.04 -0.06 -0.31 -0.04 7.69 7.32 1m5hG1 ILE 6076 H 0.05 0.47 0.28 -0.55 8.25 8.51 1m5hG1 ILE 6076 HA 0.01 0.23 0.87 -0.75 4.18 4.54 1m5hG1 ILE 6076 HB 0.02 -0.08 0.06 -0.04 1.89 1.85 1m5hG1 ILE 6076 HG12 -0.00 0.13 -0.13 -0.04 1.49 1.45 1m5hG1 ILE 6076 HG13 0.02 -0.11 -0.60 -0.04 1.21 0.49 1m5hG1 ILE 6076 HG23 -0.00 0.00 -0.18 -0.04 0.93 0.71 1m5hG1 ILE 6076 HD13 0.01 -0.00 -0.18 -0.04 0.88 0.66 1m5hG1 CYS 6077 H 0.01 0.73 0.31 -0.55 8.50 9.01 1m5hG1 CYS 6077 HA 0.05 0.31 1.19 -0.75 4.58 5.37 1m5hG1 CYS 6077 HB2 0.01 -0.11 -0.04 -0.04 2.97 2.79 1m5hG1 CYS 6077 HB3 0.03 0.01 -0.05 -0.04 2.97 2.93 1m5hG1 HIS 6078 H 0.08 0.62 0.33 -0.55 8.41 8.89 1m5hG1 HIS 6078 HA -0.03 0.10 0.60 -0.75 4.63 4.55 1m5hG1 HIS 6078 HB2 -0.05 0.19 -0.28 -0.04 3.26 3.08 1m5hG1 HIS 6078 HB3 -0.05 -0.04 -0.09 -0.04 3.20 2.97 1m5hG1 HIS 6078 HD2 -0.06 0.33 0.11 -0.04 6.97 7.30 1m5hG1 HIS 6078 HE1 -0.03 0.02 0.06 -0.04 7.75 7.74 1m5hG1 MET 6079 H -0.45 0.22 0.16 -0.55 8.47 7.85 1m5hG1 MET 6079 HA 0.01 0.08 0.51 -0.75 4.52 4.36 1m5hG1 MET 6079 HB2 -0.10 -0.00 0.10 -0.04 2.15 2.11 1m5hG1 MET 6079 HB3 -0.02 0.04 0.08 -0.04 2.03 2.09 1m5hG1 MET 6079 HG2 -0.21 -0.04 0.08 -0.04 2.63 2.42 1m5hG1 MET 6079 HG3 -0.12 0.06 0.04 -0.04 2.56 2.49 1m5hG1 MET 6079 HE3 -0.05 0.00 0.04 -0.04 2.10 2.05 1m5hG1 SER 6080 H 0.71 0.08 -0.15 -0.55 8.46 8.56 1m5hG1 SER 6080 HA 0.07 0.31 1.03 -0.75 4.49 5.15 1m5hG1 SER 6080 HB2 0.04 0.01 0.09 -0.04 3.95 4.05 1m5hG1 SER 6080 HB3 0.10 0.12 -0.07 -0.04 3.93 4.04 1m5hG1 LYS 6081 H 0.01 0.24 0.14 -0.55 8.42 8.26 1m5hG1 LYS 6081 HA -0.17 0.11 0.32 -0.75 4.32 3.83 1m5hG1 LYS 6081 HB2 -0.01 -0.03 0.11 -0.04 1.87 1.90 1m5hG1 LYS 6081 HB3 -0.06 0.06 -0.02 -0.04 1.79 1.72 1m5hG1 LYS 6081 HG2 0.09 0.03 0.01 -0.04 1.46 1.55 1m5hG1 LYS 6081 HG3 0.05 -0.00 0.09 -0.04 1.46 1.56 1m5hG1 LYS 6081 HD2 0.06 0.01 0.02 -0.04 1.69 1.74 1m5hG1 LYS 6081 HD3 0.13 0.02 -0.01 -0.04 1.68 1.78 1m5hG1 LYS 6081 HE2 0.19 0.00 -0.01 -0.04 2.99 3.13 1m5hG1 LYS 6081 HE3 0.09 0.01 0.01 -0.04 2.99 3.07 1m5hG1 LYS 6082 H -0.05 0.10 -0.12 -0.55 8.42 7.79 1m5hG1 LYS 6082 HA -0.09 0.11 0.40 -0.75 4.32 3.98 1m5hG1 LYS 6082 HB2 -0.06 -0.06 0.05 -0.04 1.87 1.76 1m5hG1 LYS 6082 HB3 -0.07 0.09 -0.04 -0.04 1.79 1.73 1m5hG1 LYS 6082 HG2 -0.03 0.05 0.02 -0.04 1.46 1.46 1m5hG1 LYS 6082 HG3 -0.02 -0.06 0.05 -0.04 1.46 1.38 1m5hG1 LYS 6082 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.64 1m5hG1 LYS 6082 HD3 -0.02 0.04 -0.01 -0.04 1.68 1.65 1m5hG1 LYS 6082 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 1m5hG1 LYS 6082 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.94 1m5hG1 GLY 6083 H -0.21 0.01 -0.25 -0.55 8.43 7.44 1m5hG1 GLY 6083 HA2 -0.42 0.10 0.39 -0.51 4.01 3.56 1m5hG1 GLY 6083 HA3 -1.39 0.02 0.29 -0.51 4.01 2.42 1m5hG1 LEU 6084 H -0.29 0.51 -0.23 -0.55 8.37 7.82 1m5hG1 LEU 6084 HA -0.13 0.08 0.35 -0.75 4.35 3.89 1m5hG1 LEU 6084 HB2 -0.06 0.00 -0.04 -0.04 1.64 1.50 1m5hG1 LEU 6084 HB3 -0.23 0.05 0.01 -0.04 1.64 1.43 1m5hG1 LEU 6084 HG -0.15 -0.03 -0.27 -0.04 1.64 1.15 1m5hG1 LEU 6084 HD13 -0.01 -0.00 -0.14 -0.04 0.93 0.74 1m5hG1 LEU 6084 HD23 -0.12 -0.01 -0.27 -0.04 0.89 0.45 1m5hG1 GLU 6085 H -0.19 0.55 -0.11 -0.55 8.60 8.30 1m5hG1 GLU 6085 HA -0.10 -0.02 0.38 -0.75 4.29 3.80 1m5hG1 GLU 6085 HB2 -0.11 0.00 0.10 -0.04 2.09 2.03 1m5hG1 GLU 6085 HB3 -0.09 0.10 0.13 -0.04 1.99 2.09 1m5hG1 GLU 6085 HG2 -0.03 0.03 -0.22 -0.04 2.34 2.08 1m5hG1 GLU 6085 HG3 -0.03 -0.10 0.02 -0.04 2.34 2.19 1m5hG1 GLU 6086 H -0.14 0.49 -0.22 -0.55 8.60 8.18 1m5hG1 GLU 6086 HA -0.06 0.00 0.38 -0.75 4.29 3.86 1m5hG1 GLU 6086 HB2 -0.16 0.18 0.20 -0.04 2.09 2.27 1m5hG1 GLU 6086 HB3 -0.08 -0.01 -0.02 -0.04 1.99 1.84 1m5hG1 GLU 6086 HG2 -0.06 -0.03 0.01 -0.04 2.34 2.22 1m5hG1 GLU 6086 HG3 -0.09 0.07 0.05 -0.04 2.34 2.33 1m5hG1 GLN 6087 H -0.13 0.61 -0.04 -0.55 8.47 8.37 1m5hG1 GLN 6087 HA -0.05 0.01 0.36 -0.75 4.36 3.92 1m5hG1 GLN 6087 HB2 -0.06 0.02 0.07 -0.04 2.15 2.15 1m5hG1 GLN 6087 HB3 -0.03 -0.01 -0.10 -0.04 2.02 1.85 1m5hG1 GLN 6087 HG2 -0.07 0.10 0.07 -0.04 2.40 2.46 1m5hG1 GLN 6087 HG3 0.04 0.03 -0.07 -0.04 2.39 2.35 1m5hG1 GLN 6087 HE21 -0.04 -0.02 -0.03 -0.04 6.97 6.84 1m5hG1 GLN 6087 HE22 -0.04 -0.04 -0.02 -0.04 7.69 7.55 1m5hG1 LEU 6088 H -0.05 0.54 -0.30 -0.55 8.37 8.01 1m5hG1 LEU 6088 HA -0.01 0.01 0.37 -0.75 4.35 3.97 1m5hG1 LEU 6088 HB2 -0.02 0.16 0.15 -0.04 1.64 1.88 1m5hG1 LEU 6088 HB3 0.01 -0.09 -0.05 -0.04 1.64 1.47 1m5hG1 LEU 6088 HG -0.03 0.13 0.00 -0.04 1.64 1.70 1m5hG1 LEU 6088 HD13 -0.01 -0.04 -0.08 -0.04 0.93 0.76 1m5hG1 LEU 6088 HD23 0.03 -0.02 -0.08 -0.04 0.89 0.78 1m5hG1 LEU 6089 H -0.02 0.49 -0.11 -0.55 8.37 8.17 1m5hG1 LEU 6089 HA 0.00 -0.02 0.37 -0.75 4.35 3.95 1m5hG1 LEU 6089 HB2 -0.02 0.16 0.17 -0.04 1.64 1.91 1m5hG1 LEU 6089 HB3 -0.00 -0.01 -0.03 -0.04 1.64 1.55 1m5hG1 LEU 6089 HG 0.00 -0.02 -0.01 -0.04 1.64 1.57 1m5hG1 LEU 6089 HD13 0.02 -0.02 0.03 -0.04 0.93 0.92 1m5hG1 LEU 6089 HD23 -0.00 0.01 0.02 -0.04 0.89 0.88 1m5hG1 ALA 6090 H -0.03 0.51 -0.17 -0.55 8.40 8.17 1m5hG1 ALA 6090 HA -0.02 0.05 0.46 -0.75 4.34 4.07 1m5hG1 ALA 6090 HB3 -0.02 0.00 0.04 -0.04 1.41 1.39 1m5hG1 ARG 6091 H -0.02 0.74 0.06 -0.55 8.46 8.69 1m5hG1 ARG 6091 HA -0.03 0.07 0.44 -0.75 4.34 4.06 1m5hG1 ARG 6091 HB2 -0.02 0.03 0.11 -0.04 1.90 1.98 1m5hG1 ARG 6091 HB3 -0.03 0.04 0.01 -0.04 1.80 1.79 1m5hG1 ARG 6091 HG2 -0.03 0.08 0.03 -0.04 1.67 1.72 1m5hG1 ARG 6091 HG3 -0.03 -0.11 0.04 -0.04 1.67 1.53 1m5hG1 ARG 6091 HD2 -0.03 -0.12 -0.10 -0.04 3.22 2.93 1m5hG1 ARG 6091 HD3 -0.03 0.20 -0.01 -0.04 3.22 3.34 1m5hG1 LEU 6092 H -0.01 0.59 -0.06 -0.55 8.37 8.34 1m5hG1 LEU 6092 HA -0.02 0.04 0.45 -0.75 4.35 4.07 1m5hG1 LEU 6092 HB2 0.02 0.14 0.05 -0.04 1.64 1.81 1m5hG1 LEU 6092 HB3 0.05 -0.06 -0.05 -0.04 1.64 1.54 1m5hG1 LEU 6092 HG 0.01 0.08 0.05 -0.04 1.64 1.74 1m5hG1 LEU 6092 HD13 0.04 -0.03 -0.10 -0.04 0.93 0.80 1m5hG1 LEU 6092 HD23 0.02 -0.00 -0.14 -0.04 0.89 0.73 1m5hG1 GLY 6093 H -0.02 0.44 -0.23 -0.55 8.43 8.07 1m5hG1 GLY 6093 HA2 -0.08 -0.02 0.41 -0.51 4.01 3.80 1m5hG1 GLY 6093 HA3 -0.05 0.20 0.37 -0.51 4.01 4.01 1m5hG1 GLN 6094 H -0.06 0.47 -0.30 -0.55 8.47 8.03 1m5hG1 GLN 6094 HA -0.10 0.15 0.83 -0.75 4.36 4.49 1m5hG1 GLN 6094 HB2 -0.04 0.19 0.09 -0.04 2.15 2.35 1m5hG1 GLN 6094 HB3 -0.04 -0.07 0.03 -0.04 2.02 1.89 1m5hG1 GLN 6094 HG2 -0.03 -0.00 -0.00 -0.04 2.40 2.32 1m5hG1 GLN 6094 HG3 -0.02 -0.07 -0.00 -0.04 2.39 2.26 1m5hG1 GLN 6094 HE21 -0.01 -0.03 -0.01 -0.04 6.97 6.88 1m5hG1 GLN 6094 HE22 -0.02 -0.01 -0.01 -0.04 7.69 7.62 1m5hG1 CYS 6095 H -0.08 0.41 -0.08 -0.55 8.50 8.21 1m5hG1 CYS 6095 HA -0.09 0.19 0.97 -0.75 4.58 4.90 1m5hG1 CYS 6095 HB2 -0.07 0.13 0.05 -0.04 2.97 3.04 1m5hG1 CYS 6095 HB3 -0.08 -0.11 0.01 -0.04 2.97 2.75 1m5hG1 VAL 6096 H -0.12 0.31 0.10 -0.55 8.24 7.98 1m5hG1 VAL 6096 HA -0.10 0.21 1.01 -0.75 4.13 4.48 1m5hG1 VAL 6096 HB 0.00 0.05 0.08 -0.04 2.12 2.21 1m5hG1 VAL 6096 HG13 0.05 -0.01 -0.09 -0.04 0.97 0.87 1m5hG1 VAL 6096 HG23 -0.03 0.03 -0.21 -0.04 0.95 0.70 1m5hG1 LEU 6097 H -0.24 0.55 0.17 -0.55 8.37 8.30 1m5hG1 LEU 6097 HA -1.72 0.06 0.38 -0.75 4.35 2.33 1m5hG1 LEU 6097 HB2 -0.25 -0.07 0.04 -0.04 1.64 1.32 1m5hG1 LEU 6097 HB3 -0.35 0.22 0.12 -0.04 1.64 1.60 1m5hG1 LEU 6097 HG -0.63 -0.04 0.02 -0.04 1.64 0.95 1m5hG1 LEU 6097 HD13 -0.15 -0.02 -0.01 -0.04 0.93 0.71 1m5hG1 LEU 6097 HD23 -0.74 0.04 -0.19 -0.04 0.89 -0.05 1m5hG1 THR 6098 H -0.27 -0.04 -0.59 -0.55 8.28 6.82 1m5hG1 THR 6098 HA -0.25 0.14 0.60 -0.75 4.39 4.12 1m5hG1 THR 6098 HB -0.12 -0.06 -0.00 -0.04 4.32 4.09 1m5hG1 THR 6098 HG23 -0.17 0.01 -0.06 -0.04 1.22 0.96 1m5hG1 ALA 6099 H -0.22 0.12 -0.59 -0.55 8.40 7.16 1m5hG1 ALA 6099 HA -0.10 0.11 0.55 -0.75 4.34 4.14 1m5hG1 ALA 6099 HB3 -0.08 0.05 0.02 -0.04 1.41 1.36 1m5hG1 PRO 6100 HA -0.28 0.02 0.39 -0.51 4.44 4.07 1m5hG1 PRO 6100 HB2 -0.80 -0.05 0.07 -0.04 2.28 1.46 1m5hG1 PRO 6100 HB3 -0.67 0.01 0.08 -0.04 2.02 1.39 1m5hG1 PRO 6100 HG2 -0.18 0.00 0.08 -0.04 2.03 1.89 1m5hG1 PRO 6100 HG3 -0.20 0.08 0.07 -0.04 2.03 1.94 1m5hG1 PRO 6100 HD2 0.04 0.06 0.17 -0.04 3.68 3.91 1m5hG1 PRO 6100 HD3 -0.06 0.20 0.23 -0.04 3.65 3.98 1m5hG1 THR 6101 H -0.30 0.13 0.13 -0.55 8.28 7.68 1m5hG1 THR 6101 HA -0.19 0.06 0.32 -0.75 4.39 3.83 1m5hG1 THR 6101 HB -0.38 0.01 0.13 -0.04 4.32 4.05 1m5hG1 THR 6101 HG23 -1.38 -0.02 -0.17 -0.04 1.22 -0.39 1m5hG1 THR 6102 H -0.08 0.26 -0.60 -0.55 8.28 7.32 1m5hG1 THR 6102 HA 0.09 0.31 0.57 -0.75 4.39 4.61 1m5hG1 THR 6102 HB 0.12 -0.07 0.09 -0.04 4.32 4.42 1m5hG1 THR 6102 HG23 0.02 0.01 -0.05 -0.04 1.22 1.16 1m5hG1 ALA 6103 H 0.13 0.39 0.39 -0.55 8.40 8.76 1m5hG1 ALA 6103 HA -0.07 0.14 0.76 -0.75 4.34 4.42 1m5hG1 ALA 6103 HB3 0.05 -0.02 -0.03 -0.04 1.41 1.37 1m5hG1 VAL 6104 H -0.61 0.80 0.38 -0.55 8.24 8.26 1m5hG1 VAL 6104 HA -0.08 0.32 1.21 -0.75 4.13 4.82 1m5hG1 VAL 6104 HB 0.05 0.05 -0.04 -0.04 2.12 2.14 1m5hG1 VAL 6104 HG13 -0.23 -0.04 0.05 -0.04 0.97 0.71 1m5hG1 VAL 6104 HG23 -0.02 -0.03 -0.18 -0.04 0.95 0.67 1m5hG1 PHE 6105 H 0.13 0.61 0.32 -0.55 8.34 8.85 1m5hG1 PHE 6105 HA 0.02 0.07 0.99 -0.75 4.62 4.94 1m5hG1 PHE 6105 HB2 0.03 0.02 -0.04 -0.04 3.15 3.12 1m5hG1 PHE 6105 HB3 0.03 0.02 0.09 -0.04 3.06 3.16 1m5hG1 PHE 6105 HD2 -0.00 0.02 -0.15 -0.04 7.28 7.11 1m5hG1 PHE 6105 HE2 -0.01 0.02 -0.21 -0.04 7.38 7.14 1m5hG1 PHE 6105 HZ -0.01 0.04 -0.18 -0.04 7.32 7.13 1m5hG1 ASN 6106 H 0.20 0.13 0.23 -0.55 8.53 8.54 1m5hG1 ASN 6106 HA 0.13 0.03 0.65 -0.75 4.76 4.81 1m5hG1 ASN 6106 HB2 0.11 0.21 0.28 -0.04 2.88 3.44 1m5hG1 ASN 6106 HB3 0.12 0.02 0.19 -0.04 2.79 3.08 1m5hG1 ASN 6106 HD21 0.07 0.09 -0.13 -0.04 7.03 7.02 1m5hG1 ASN 6106 HD22 0.08 0.11 -0.18 -0.04 7.74 7.71 1m5hG1 GLY 6107 H 0.15 0.48 0.44 -0.55 8.43 8.96 1m5hG1 GLY 6107 HA2 0.32 0.15 0.55 -0.51 4.01 4.52 1m5hG1 GLY 6107 HA3 0.26 -0.02 0.02 -0.51 4.01 3.76 1m5hG1 LEU 6108 H 0.10 -0.01 -0.21 -0.55 8.37 7.70 1m5hG1 LEU 6108 HA 0.02 0.21 0.71 -0.75 4.35 4.53 1m5hG1 LEU 6108 HB2 0.06 -0.01 0.11 -0.04 1.64 1.76 1m5hG1 LEU 6108 HB3 0.02 -0.09 0.15 -0.04 1.64 1.68 1m5hG1 LEU 6108 HG 0.05 -0.00 -0.20 -0.04 1.64 1.44 1m5hG1 LEU 6108 HD13 0.04 0.02 -0.13 -0.04 0.93 0.82 1m5hG1 LEU 6108 HD23 -0.01 0.04 0.04 -0.04 0.89 0.92 1m5hG1 PRO 6109 HA 0.04 0.05 0.42 -0.51 4.44 4.45 1m5hG1 PRO 6109 HB2 0.03 0.07 -0.00 -0.04 2.28 2.33 1m5hG1 PRO 6109 HB3 0.05 0.04 0.10 -0.04 2.02 2.18 1m5hG1 PRO 6109 HG2 0.02 -0.02 0.02 -0.04 2.03 2.00 1m5hG1 PRO 6109 HG3 0.04 0.12 0.02 -0.04 2.03 2.16 1m5hG1 PRO 6109 HD2 0.03 0.18 -0.14 -0.04 3.68 3.71 1m5hG1 PRO 6109 HD3 0.08 0.30 -0.17 -0.04 3.65 3.81 1m5hG1 ASP 6110 H 0.01 0.04 -0.34 -0.55 8.40 7.57 1m5hG1 ASP 6110 HA -0.00 0.19 0.57 -0.75 4.63 4.64 1m5hG1 ASP 6110 HB2 -0.01 -0.04 0.01 -0.04 2.71 2.63 1m5hG1 ASP 6110 HB3 -0.01 -0.01 0.00 -0.04 2.70 2.64 1m5hG1 ALA 6111 H -0.00 0.31 -0.30 -0.55 8.40 7.86 1m5hG1 ALA 6111 HA -0.04 -0.05 0.45 -0.75 4.34 3.95 1m5hG1 ALA 6111 HB3 -0.04 0.02 0.12 -0.04 1.41 1.47 1m5hG1 GLU 6112 H -0.07 0.04 0.26 -0.55 8.60 8.28 1m5hG1 GLU 6112 HA -0.04 0.13 0.48 -0.75 4.29 4.12 1m5hG1 GLU 6112 HB2 -0.04 0.04 0.18 -0.04 2.09 2.22 1m5hG1 GLU 6112 HB3 -0.07 -0.09 0.22 -0.04 1.99 2.00 1m5hG1 GLU 6112 HG2 -0.05 0.00 -0.19 -0.04 2.34 2.07 1m5hG1 GLU 6112 HG3 -0.03 0.02 0.05 -0.04 2.34 2.34 1m5hG1 GLU 6113 H -0.21 0.04 0.09 -0.55 8.60 7.98 1m5hG1 GLU 6113 HA -0.14 0.13 0.68 -0.75 4.29 4.21 1m5hG1 GLU 6113 HB2 -0.91 0.12 0.14 -0.04 2.09 1.40 1m5hG1 GLU 6113 HB3 -0.72 -0.02 0.03 -0.04 1.99 1.24 1m5hG1 GLU 6113 HG2 -0.18 -0.07 0.07 -0.04 2.34 2.12 1m5hG1 GLU 6113 HG3 -0.22 -0.02 0.03 -0.04 2.34 2.09 1m5hG1 LYS 6114 H 0.04 0.26 0.21 -0.55 8.42 8.38 1m5hG1 LYS 6114 HA 0.26 0.12 0.67 -0.75 4.32 4.61 1m5hG1 LYS 6114 HB2 0.10 -0.10 -0.24 -0.04 1.87 1.59 1m5hG1 LYS 6114 HB3 0.04 0.15 -0.37 -0.04 1.79 1.57 1m5hG1 LYS 6114 HG2 0.02 0.06 -0.12 -0.04 1.46 1.38 1m5hG1 LYS 6114 HG3 0.06 -0.07 -0.21 -0.04 1.46 1.20 1m5hG1 LYS 6114 HD2 0.05 -0.12 -0.18 -0.04 1.69 1.40 1m5hG1 LYS 6114 HD3 0.02 0.18 -0.17 -0.04 1.68 1.67 1m5hG1 LYS 6114 HE2 0.03 -0.08 -0.09 -0.04 2.99 2.81 1m5hG1 LYS 6114 HE3 0.03 0.01 -0.05 -0.04 2.99 2.93 1m5hG1 ASP 6115 H 0.19 0.55 0.31 -0.55 8.40 8.90 1m5hG1 ASP 6115 HA 0.11 0.18 0.87 -0.75 4.63 5.03 1m5hG1 ASP 6115 HB2 0.06 0.02 0.15 -0.04 2.71 2.90 1m5hG1 ASP 6115 HB3 0.04 0.01 0.04 -0.04 2.70 2.74 1m5hG1 ASP 6116 H 0.08 0.21 0.10 -0.55 8.40 8.25 1m5hG1 ASP 6116 HA 0.11 0.23 0.78 -0.75 4.63 5.00 1m5hG1 ASP 6116 HB2 0.16 -0.01 0.20 -0.04 2.71 3.02 1m5hG1 ASP 6116 HB3 0.06 0.05 0.09 -0.04 2.70 2.86 1m5hG1 THR 6117 H 0.08 0.33 -0.40 -0.55 8.28 7.74 1m5hG1 THR 6117 HA 0.06 0.05 0.31 -0.75 4.39 4.06 1m5hG1 THR 6117 HB 0.03 0.04 -0.07 -0.04 4.32 4.28 1m5hG1 THR 6117 HG23 0.04 0.01 -0.04 -0.04 1.22 1.18 1m5hG1 GLY 6118 H 0.09 0.24 -0.25 -0.55 8.43 7.97 1m5hG1 GLY 6118 HA2 0.02 0.02 0.35 -0.51 4.01 3.89 1m5hG1 GLY 6118 HA3 0.11 0.47 0.29 -0.51 4.01 4.36 1m5hG1 PHE 6119 H 0.21 0.29 -0.06 -0.55 8.34 8.23 1m5hG1 PHE 6119 HA -0.67 0.04 0.33 -0.75 4.62 3.57 1m5hG1 PHE 6119 HB2 0.07 -0.03 0.11 -0.04 3.15 3.26 1m5hG1 PHE 6119 HB3 -0.00 0.07 0.11 -0.04 3.06 3.20 1m5hG1 PHE 6119 HD2 -0.03 -0.00 -0.07 -0.04 7.28 7.14 1m5hG1 PHE 6119 HE2 0.06 -0.00 -0.04 -0.04 7.38 7.36 1m5hG1 PHE 6119 HZ 0.06 0.00 -0.02 -0.04 7.32 7.31 1m5hG1 LYS 6120 H 0.08 0.36 -0.32 -0.55 8.42 7.98 1m5hG1 LYS 6120 HA 0.19 0.08 0.55 -0.75 4.32 4.38 1m5hG1 LYS 6120 HB2 0.12 0.07 0.10 -0.04 1.87 2.11 1m5hG1 LYS 6120 HB3 0.06 0.04 0.01 -0.04 1.79 1.87 1m5hG1 LYS 6120 HG2 0.13 -0.03 0.00 -0.04 1.46 1.53 1m5hG1 LYS 6120 HG3 0.05 -0.03 -0.02 -0.04 1.46 1.42 1m5hG1 LYS 6120 HD2 0.03 0.02 -0.08 -0.04 1.69 1.63 1m5hG1 LYS 6120 HD3 0.20 -0.00 0.14 -0.04 1.68 1.98 1m5hG1 LYS 6120 HE2 -0.07 -0.01 -0.02 -0.04 2.99 2.85 1m5hG1 LYS 6120 HE3 -0.21 0.01 -0.00 -0.04 2.99 2.74 1m5hG1 LEU 6121 H -0.01 0.58 0.00 -0.55 8.37 8.40 1m5hG1 LEU 6121 HA 0.04 0.03 0.41 -0.75 4.35 4.07 1m5hG1 LEU 6121 HB2 0.01 0.08 0.12 -0.04 1.64 1.80 1m5hG1 LEU 6121 HB3 0.04 -0.02 0.02 -0.04 1.64 1.64 1m5hG1 LEU 6121 HG 0.03 0.15 0.10 -0.04 1.64 1.88 1m5hG1 LEU 6121 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 1m5hG1 LEU 6121 HD23 0.01 -0.00 0.05 -0.04 0.89 0.91 1m5hG1 LYS 6122 H -0.30 0.49 -0.40 -0.55 8.42 7.65 1m5hG1 LYS 6122 HA -0.08 0.06 0.35 -0.75 4.32 3.90 1m5hG1 LYS 6122 HB2 -0.41 -0.09 0.02 -0.04 1.87 1.35 1m5hG1 LYS 6122 HB3 -0.44 0.07 0.01 -0.04 1.79 1.40 1m5hG1 LYS 6122 HG2 -2.17 -0.12 -0.04 -0.04 1.46 -0.91 1m5hG1 LYS 6122 HG3 -1.08 0.33 0.00 -0.04 1.46 0.67 1m5hG1 LYS 6122 HD2 -1.14 0.01 -0.69 -0.04 1.69 -0.17 1m5hG1 LYS 6122 HD3 -1.11 -0.10 -0.17 -0.04 1.68 0.26 1m5hG1 LYS 6122 HE2 -2.07 -0.09 -0.04 -0.04 2.99 0.75 1m5hG1 LYS 6122 HE3 -2.52 0.31 0.06 -0.04 2.99 0.80 1m5hG1 PHE 6123 H -0.16 0.49 -0.47 -0.55 8.34 7.64 1m5hG1 PHE 6123 HA -0.20 -0.04 0.42 -0.75 4.62 4.05 1m5hG1 PHE 6123 HB2 -0.14 0.26 0.13 -0.04 3.15 3.36 1m5hG1 PHE 6123 HB3 -0.12 -0.06 0.05 -0.04 3.06 2.89 1m5hG1 PHE 6123 HD2 -0.24 0.08 0.16 -0.04 7.28 7.24 1m5hG1 PHE 6123 HE2 -0.37 -0.05 -0.02 -0.04 7.38 6.90 1m5hG1 PHE 6123 HZ -0.30 -0.05 -0.01 -0.04 7.32 6.92 1m5hG1 PHE 6124 H 0.20 0.49 -0.42 -0.55 8.34 8.05 1m5hG1 PHE 6124 HA 0.02 0.01 0.36 -0.75 4.62 4.26 1m5hG1 PHE 6124 HB2 0.01 0.02 0.14 -0.04 3.15 3.28 1m5hG1 PHE 6124 HB3 0.02 0.06 0.05 -0.04 3.06 3.15 1m5hG1 PHE 6124 HD2 0.01 0.01 -0.11 -0.04 7.28 7.14 1m5hG1 PHE 6124 HE2 -0.02 -0.02 -0.00 -0.04 7.38 7.29 1m5hG1 PHE 6124 HZ -0.03 -0.04 0.00 -0.04 7.32 7.21 1m5hG1 ALA 6125 H 0.09 0.47 -0.45 -0.55 8.40 7.97 1m5hG1 ALA 6125 HA 0.11 0.19 0.41 -0.75 4.34 4.30 1m5hG1 ALA 6125 HB3 0.09 -0.03 0.08 -0.04 1.41 1.51 1m5hG1 ASP 6126 H 0.02 0.57 -0.28 -0.55 8.40 8.17 1m5hG1 ASP 6126 HA 0.02 0.04 0.34 -0.75 4.63 4.28 1m5hG1 ASP 6126 HB2 -0.05 0.10 -0.18 -0.04 2.71 2.54 1m5hG1 ASP 6126 HB3 0.09 0.11 0.13 -0.04 2.70 2.99 1m5hG1 GLY 6127 H -0.01 0.05 -0.13 -0.55 8.43 7.80 1m5hG1 GLY 6127 HA2 -0.07 -0.02 0.33 -0.51 4.01 3.74 1m5hG1 GLY 6127 HA3 -0.15 0.21 0.78 -0.51 4.01 4.34 1m5hG1 TYR 6128 H 0.16 0.37 -0.39 -0.55 8.29 7.88 1m5hG1 TYR 6128 HA 0.02 0.16 0.76 -0.75 4.56 4.74 1m5hG1 TYR 6128 HB2 0.02 0.14 0.09 -0.04 3.06 3.27 1m5hG1 TYR 6128 HB3 0.02 -0.06 0.17 -0.04 2.98 3.07 1m5hG1 TYR 6128 HD2 -0.00 0.14 0.02 -0.04 7.15 7.27 1m5hG1 TYR 6128 HE2 -0.01 -0.03 0.00 -0.04 6.85 6.78 1m5hG1 GLN 6129 H 0.06 -0.14 -0.27 -0.55 8.47 7.57 1m5hG1 GLN 6129 HA 0.14 0.31 0.62 -0.75 4.36 4.68 1m5hG1 GLN 6129 HB2 0.16 0.00 0.10 -0.04 2.15 2.37 1m5hG1 GLN 6129 HB3 -0.01 0.03 0.13 -0.04 2.02 2.14 1m5hG1 GLN 6129 HG2 0.11 0.02 -0.28 -0.04 2.40 2.21 1m5hG1 GLN 6129 HG3 -0.27 -0.01 -0.13 -0.04 2.39 1.94 1m5hG1 GLN 6129 HE21 -0.15 -0.05 -0.01 -0.04 6.97 6.72 1m5hG1 GLN 6129 HE22 -0.31 0.03 -0.07 -0.04 7.69 7.29 1m5hG1 LYS 6130 H 0.23 0.33 0.37 -0.55 8.42 8.79 1m5hG1 LYS 6130 HA 0.14 0.11 0.65 -0.75 4.32 4.47 1m5hG1 LYS 6130 HB2 0.07 -0.04 0.00 -0.04 1.87 1.86 1m5hG1 LYS 6130 HB3 0.03 0.02 0.07 -0.04 1.79 1.88 1m5hG1 LYS 6130 HG2 0.05 -0.08 -0.01 -0.04 1.46 1.38 1m5hG1 LYS 6130 HG3 0.08 0.16 0.03 -0.04 1.46 1.69 1m5hG1 LYS 6130 HD2 0.12 0.26 -0.42 -0.04 1.69 1.60 1m5hG1 LYS 6130 HD3 0.08 -0.12 -0.08 -0.04 1.68 1.52 1m5hG1 LYS 6130 HE2 0.08 -0.12 -0.02 -0.04 2.99 2.88 1m5hG1 LYS 6130 HE3 0.09 0.01 -0.05 -0.04 2.99 3.00 1m5hG1 GLU 6131 H -0.07 0.14 0.18 -0.55 8.60 8.30 1m5hG1 GLU 6131 HA -0.49 0.31 1.00 -0.75 4.29 4.35 1m5hG1 GLU 6131 HB2 -0.24 -0.04 0.12 -0.04 2.09 1.90 1m5hG1 GLU 6131 HB3 -0.41 -0.00 0.04 -0.04 1.99 1.57 1m5hG1 GLU 6131 HG2 -1.74 0.07 -0.03 -0.04 2.34 0.60 1m5hG1 GLU 6131 HG3 -0.43 -0.03 -0.02 -0.04 2.34 1.82 1m5hG1 VAL 6132 H -0.26 0.64 0.22 -0.55 8.24 8.29 1m5hG1 VAL 6132 HA -0.08 0.10 0.61 -0.75 4.13 4.00 1m5hG1 VAL 6132 HB -0.03 0.04 -0.11 -0.04 2.12 1.99 1m5hG1 VAL 6132 HG13 -0.02 -0.00 -0.33 -0.04 0.97 0.57 1m5hG1 VAL 6132 HG23 -0.04 -0.02 -0.33 -0.04 0.95 0.52 1m5hG1 GLU 6133 H -0.05 0.19 0.13 -0.55 8.60 8.32 1m5hG1 GLU 6133 HA -0.05 0.36 1.07 -0.75 4.29 4.92 1m5hG1 GLU 6133 HB2 -0.03 -0.03 0.05 -0.04 2.09 2.04 1m5hG1 GLU 6133 HB3 -0.03 0.01 -0.08 -0.04 1.99 1.84 1m5hG1 GLU 6133 HG2 -0.09 -0.01 -0.15 -0.04 2.34 2.05 1m5hG1 GLU 6133 HG3 -0.07 -0.01 -0.03 -0.04 2.34 2.19 1m5hG1 VAL 6134 H 0.03 0.56 0.19 -0.55 8.24 8.48 1m5hG1 VAL 6134 HA 0.02 0.18 0.87 -0.75 4.13 4.44 1m5hG1 VAL 6134 HB 0.25 -0.04 -0.03 -0.04 2.12 2.26 1m5hG1 VAL 6134 HG13 0.06 0.03 -0.28 -0.04 0.97 0.73 1m5hG1 VAL 6134 HG23 0.09 0.02 -0.33 -0.04 0.95 0.68 1m5hG1 GLY 6135 H -0.02 0.21 0.11 -0.55 8.43 8.18 1m5hG1 GLY 6135 HA2 -0.04 0.05 0.35 -0.51 4.01 3.87 1m5hG1 GLY 6135 HA3 -0.08 0.14 0.44 -0.51 4.01 4.00 1m5hG1 GLY 6136 H -0.02 0.04 -0.37 -0.55 8.43 7.54 1m5hG1 GLY 6136 HA2 -0.01 -0.02 0.21 -0.51 4.01 3.67 1m5hG1 GLY 6136 HA3 -0.01 0.13 0.44 -0.51 4.01 4.05 1m5hG1 ARG 6137 H 0.01 0.55 -0.40 -0.55 8.46 8.08 1m5hG1 ARG 6137 HA 0.03 0.13 0.81 -0.75 4.34 4.56 1m5hG1 ARG 6137 HB2 0.16 0.00 0.08 -0.04 1.90 2.10 1m5hG1 ARG 6137 HB3 0.14 -0.09 0.07 -0.04 1.80 1.88 1m5hG1 ARG 6137 HG2 -0.00 0.21 -0.07 -0.04 1.67 1.77 1m5hG1 ARG 6137 HG3 0.08 -0.09 0.02 -0.04 1.67 1.65 1m5hG1 ARG 6137 HD2 0.10 -0.11 0.08 -0.04 3.22 3.24 1m5hG1 ARG 6137 HD3 0.04 0.06 -0.08 -0.04 3.22 3.19 1m5hG1 LYS 6138 H 0.01 0.15 0.20 -0.55 8.42 8.22 1m5hG1 LYS 6138 HA -0.09 0.13 0.76 -0.75 4.32 4.37 1m5hG1 LYS 6138 HB2 -0.05 0.03 0.11 -0.04 1.87 1.91 1m5hG1 LYS 6138 HB3 -0.05 -0.09 0.21 -0.04 1.79 1.82 1m5hG1 LYS 6138 HG2 -0.29 0.11 -0.04 -0.04 1.46 1.20 1m5hG1 LYS 6138 HG3 -0.15 -0.00 -0.01 -0.04 1.46 1.27 1m5hG1 LYS 6138 HD2 -0.16 0.02 -0.03 -0.04 1.69 1.47 1m5hG1 LYS 6138 HD3 -0.07 -0.01 0.01 -0.04 1.68 1.56 1m5hG1 LYS 6138 HE2 -0.03 -0.11 -0.03 -0.04 2.99 2.79 1m5hG1 LYS 6138 HE3 -0.40 0.08 -0.12 -0.04 2.99 2.51 1m5hG1 CYS 6139 H -0.17 0.62 0.35 -0.55 8.50 8.76 1m5hG1 CYS 6139 HA -0.07 0.10 1.08 -0.75 4.58 4.94 1m5hG1 CYS 6139 HB2 -0.07 0.04 -0.11 -0.04 2.97 2.79 1m5hG1 CYS 6139 HB3 -0.08 0.11 -0.12 -0.04 2.97 2.84 1m5hG1 TRP 6140 H 0.10 0.51 0.31 -0.55 7.97 8.34 1m5hG1 TRP 6140 HA -0.04 0.31 1.08 -0.75 4.62 5.22 1m5hG1 TRP 6140 HB2 -0.09 -0.01 0.03 -0.04 3.23 3.12 1m5hG1 TRP 6140 HB3 -0.07 0.03 0.01 -0.04 3.23 3.17 1m5hG1 TRP 6140 HD1 -0.03 0.09 -0.28 -0.04 7.22 6.96 1m5hG1 TRP 6140 HE1 0.13 -0.10 -0.13 -0.04 10.20 10.05 1m5hG1 TRP 6140 HE3 -0.06 0.04 -0.22 -0.04 7.59 7.31 1m5hG1 TRP 6140 HZ2 0.27 -0.04 -0.06 -0.04 7.44 7.56 1m5hG1 TRP 6140 HZ3 -0.03 0.01 -0.16 -0.04 7.13 6.91 1m5hG1 TRP 6140 HH2 0.12 -0.01 -0.07 -0.04 7.19 7.19 1m5hG1 ALA 6141 H 0.14 0.54 0.30 -0.55 8.40 8.83 1m5hG1 ALA 6141 HA 0.03 0.26 0.72 -0.75 4.34 4.60 1m5hG1 ALA 6141 HB3 0.05 -0.02 -0.05 -0.04 1.41 1.35 1m5hG1 VAL 6142 H 0.10 0.57 0.24 -0.55 8.24 8.60 1m5hG1 VAL 6142 HA 0.13 0.20 1.00 -0.75 4.13 4.71 1m5hG1 VAL 6142 HB 0.25 -0.07 0.18 -0.04 2.12 2.44 1m5hG1 VAL 6142 HG13 0.25 0.02 -0.18 -0.04 0.97 1.02 1m5hG1 VAL 6142 HG23 0.10 0.03 -0.16 -0.04 0.95 0.88 1m5hG1 PRO 6143 HA 0.06 0.09 0.48 -0.51 4.44 4.56 1m5hG1 PRO 6143 HB2 -0.00 0.02 0.07 -0.04 2.28 2.32 1m5hG1 PRO 6143 HB3 -0.00 0.01 0.03 -0.04 2.02 2.01 1m5hG1 PRO 6143 HG2 0.12 0.14 0.04 -0.04 2.03 2.29 1m5hG1 PRO 6143 HG3 0.07 -0.04 -0.05 -0.04 2.03 1.98 1m5hG1 PRO 6143 HD2 0.14 0.02 0.06 -0.04 3.68 3.85 1m5hG1 PRO 6143 HD3 0.12 0.30 0.02 -0.04 3.65 4.04 1m5hG1 MET 6144 H 0.04 0.62 0.39 -0.55 8.47 8.97 1m5hG1 MET 6144 HA 0.06 0.12 0.55 -0.75 4.52 4.49 1m5hG1 MET 6144 HB2 0.06 -0.20 0.18 -0.04 2.15 2.15 1m5hG1 MET 6144 HB3 0.16 0.15 -0.07 -0.04 2.03 2.23 1m5hG1 MET 6144 HG2 0.07 0.21 -0.02 -0.04 2.63 2.85 1m5hG1 MET 6144 HG3 0.01 -0.26 -0.15 -0.04 2.56 2.12 1m5hG1 MET 6144 HE3 -0.13 -0.02 -0.14 -0.04 2.10 1.77 1m5hG1 MET 6145 H 0.02 0.17 0.14 -0.55 8.47 8.24 1m5hG1 MET 6145 HA -0.01 0.08 0.37 -0.75 4.52 4.21 1m5hG1 MET 6145 HB2 -0.02 0.01 0.16 -0.04 2.15 2.25 1m5hG1 MET 6145 HB3 -0.03 0.02 -0.03 -0.04 2.03 1.95 1m5hG1 MET 6145 HG2 -0.01 0.01 0.05 -0.04 2.63 2.64 1m5hG1 MET 6145 HG3 -0.00 -0.00 0.07 -0.04 2.56 2.58 1m5hG1 MET 6145 HE3 -0.02 -0.01 0.00 -0.04 2.10 2.04 1m5hG1 GLU 6146 H -0.04 0.11 -0.12 -0.55 8.60 8.00 1m5hG1 GLU 6146 HA -0.04 0.13 0.57 -0.75 4.29 4.20 1m5hG1 GLU 6146 HB2 -0.10 -0.04 0.08 -0.04 2.09 2.00 1m5hG1 GLU 6146 HB3 -0.10 -0.01 0.03 -0.04 1.99 1.87 1m5hG1 GLU 6146 HG2 -0.07 0.03 -0.13 -0.04 2.34 2.12 1m5hG1 GLU 6146 HG3 -0.04 0.04 -0.48 -0.04 2.34 1.83 1m5hG1 GLY 6147 H -0.00 0.24 -0.34 -0.55 8.43 7.78 1m5hG1 GLY 6147 HA2 0.01 0.06 0.24 -0.51 4.01 3.81 1m5hG1 GLY 6147 HA3 0.02 0.10 0.68 -0.51 4.01 4.30 1m5hG1 ASP 6148 H 0.05 0.16 0.06 -0.55 8.40 8.12 1m5hG1 ASP 6148 HA 0.08 0.32 0.79 -0.75 4.63 5.07 1m5hG1 ASP 6148 HB2 0.05 -0.01 0.01 -0.04 2.71 2.71 1m5hG1 ASP 6148 HB3 0.06 -0.03 -0.20 -0.04 2.70 2.48 1m5hG1 PHE 6149 H 0.20 0.66 0.24 -0.55 8.34 8.89 1m5hG1 PHE 6149 HA -0.03 0.20 0.70 -0.75 4.62 4.73 1m5hG1 PHE 6149 HB2 -0.05 0.06 0.03 -0.04 3.15 3.15 1m5hG1 PHE 6149 HB3 -0.03 -0.03 0.16 -0.04 3.06 3.11 1m5hG1 PHE 6149 HD2 -0.08 0.10 -0.04 -0.04 7.28 7.22 1m5hG1 PHE 6149 HE2 -0.09 -0.06 -0.32 -0.04 7.38 6.87 1m5hG1 PHE 6149 HZ -0.09 -0.08 -0.28 -0.04 7.32 6.82 1m5hG1 ILE 6150 H -0.17 0.29 0.22 -0.55 8.25 8.03 1m5hG1 ILE 6150 HA -0.24 0.38 1.02 -0.75 4.18 4.59 1m5hG1 ILE 6150 HB -0.21 -0.07 0.13 -0.04 1.89 1.69 1m5hG1 ILE 6150 HG12 -0.02 0.00 -0.28 -0.04 1.49 1.14 1m5hG1 ILE 6150 HG13 -0.01 0.11 -0.10 -0.04 1.21 1.17 1m5hG1 ILE 6150 HG23 -0.10 -0.01 -0.20 -0.04 0.93 0.57 1m5hG1 ILE 6150 HD13 0.05 -0.01 -0.10 -0.04 0.88 0.78 1m5hG1 ILE 6151 H -0.27 0.52 0.31 -0.55 8.25 8.26 1m5hG1 ILE 6151 HA -0.51 0.22 1.08 -0.75 4.18 4.21 1m5hG1 ILE 6151 HB -0.09 -0.02 -0.00 -0.04 1.89 1.73 1m5hG1 ILE 6151 HG12 -1.48 0.03 -0.36 -0.04 1.49 -0.37 1m5hG1 ILE 6151 HG13 -0.61 0.07 -0.23 -0.04 1.21 0.40 1m5hG1 ILE 6151 HG23 -0.11 0.01 -0.06 -0.04 0.93 0.73 1m5hG1 ILE 6151 HD13 0.05 0.00 -0.16 -0.04 0.88 0.73 1m5hG1 GLU 6152 H -0.21 0.46 0.28 -0.55 8.60 8.59 1m5hG1 GLU 6152 HA 0.02 0.11 0.51 -0.75 4.29 4.17 1m5hG1 GLU 6152 HB2 0.06 0.00 0.30 -0.04 2.09 2.41 1m5hG1 GLU 6152 HB3 0.06 0.06 0.11 -0.04 1.99 2.17 1m5hG1 GLU 6152 HG2 0.09 -0.14 0.24 -0.04 2.34 2.48 1m5hG1 GLU 6152 HG3 0.09 0.09 0.09 -0.04 2.34 2.58 1m5hG1 ASN 6153 H 0.11 0.47 0.37 -0.55 8.53 8.94 1m5hG1 ASN 6153 HA 0.38 0.02 0.40 -0.75 4.76 4.82 1m5hG1 ASN 6153 HB2 0.23 0.14 0.11 -0.04 2.88 3.32 1m5hG1 ASN 6153 HB3 0.15 -0.02 0.15 -0.04 2.79 3.02 1m5hG1 ASN 6153 HD21 0.13 0.00 -0.02 -0.04 7.03 7.09 1m5hG1 ASN 6153 HD22 0.15 0.00 -0.27 -0.04 7.74 7.58 1m5hG1 ASP 6154 H 0.11 0.15 0.05 -0.55 8.40 8.16 1m5hG1 ASP 6154 HA 0.11 0.18 1.12 -0.75 4.63 5.29 1m5hG1 ASP 6154 HB2 0.08 0.02 -0.09 -0.04 2.71 2.67 1m5hG1 ASP 6154 HB3 0.09 0.03 -0.11 -0.04 2.70 2.66 1m5hG1 ILE 6155 H 0.10 0.53 0.31 -0.55 8.25 8.64 1m5hG1 ILE 6155 HA 0.10 0.07 0.91 -0.75 4.18 4.50 1m5hG1 ILE 6155 HB 0.09 -0.08 0.13 -0.04 1.89 1.99 1m5hG1 ILE 6155 HG12 0.08 0.04 -0.08 -0.04 1.49 1.48 1m5hG1 ILE 6155 HG13 0.07 -0.05 -0.52 -0.04 1.21 0.67 1m5hG1 ILE 6155 HG23 0.10 0.04 -0.13 -0.04 0.93 0.90 1m5hG1 ILE 6155 HD13 0.05 0.01 -0.14 -0.04 0.88 0.76 1m5hG1 GLY 6156 H 0.10 0.02 0.16 -0.55 8.43 8.15 1m5hG1 GLY 6156 HA2 0.09 0.22 0.71 -0.51 4.01 4.52 1m5hG1 GLY 6156 HA3 0.06 0.17 0.43 -0.51 4.01 4.15 1m5hG1 TYR 6157 H -0.09 0.65 0.35 -0.55 8.29 8.66 1m5hG1 TYR 6157 HA 0.03 0.20 0.94 -0.75 4.56 4.97 1m5hG1 TYR 6157 HB2 0.03 0.02 -0.14 -0.04 3.06 2.92 1m5hG1 TYR 6157 HB3 0.03 0.00 -0.23 -0.04 2.98 2.74 1m5hG1 TYR 6157 HD2 0.03 0.03 -0.22 -0.04 7.15 6.95 1m5hG1 TYR 6157 HE2 0.02 -0.00 -0.21 -0.04 6.85 6.62 1m5hG1 THR 6158 H 0.17 0.64 0.39 -0.55 8.28 8.93 1m5hG1 THR 6158 HA -0.05 0.11 0.82 -0.75 4.39 4.52 1m5hG1 THR 6158 HB -0.01 0.00 -0.09 -0.04 4.32 4.18 1m5hG1 THR 6158 HG23 0.04 0.03 -0.13 -0.04 1.22 1.11 1m5hG1 ASN 6159 H 0.03 0.16 0.21 -0.55 8.53 8.38 1m5hG1 ASN 6159 HA 0.09 0.10 0.86 -0.75 4.76 5.05 1m5hG1 ASN 6159 HB2 0.05 -0.02 0.29 -0.04 2.88 3.15 1m5hG1 ASN 6159 HB3 0.07 0.06 0.12 -0.04 2.79 3.00 1m5hG1 ASN 6159 HD21 0.05 -0.00 0.03 -0.04 7.03 7.07 1m5hG1 ASN 6159 HD22 0.03 0.01 0.10 -0.04 7.74 7.85 1m5hG1 GLY 6160 H 0.06 0.46 0.41 -0.55 8.43 8.82 1m5hG1 GLY 6160 HA2 -0.00 0.25 0.77 -0.51 4.01 4.52 1m5hG1 GLY 6160 HA3 0.02 -0.01 0.33 -0.51 4.01 3.84 1m5hG1 ILE 6161 H -0.02 0.63 0.28 -0.55 8.25 8.58 1m5hG1 ILE 6161 HA -0.08 0.28 1.02 -0.75 4.18 4.65 1m5hG1 ILE 6161 HB -0.11 -0.07 -0.06 -0.04 1.89 1.61 1m5hG1 ILE 6161 HG12 -0.87 0.10 -0.18 -0.04 1.49 0.50 1m5hG1 ILE 6161 HG13 -0.24 -0.04 -0.69 -0.04 1.21 0.21 1m5hG1 ILE 6161 HG23 -0.13 0.02 -0.19 -0.04 0.93 0.58 1m5hG1 ILE 6161 HD13 -0.35 -0.04 -0.23 -0.04 0.88 0.23 1m5hG1 ALA 6162 H 0.08 0.57 0.20 -0.55 8.40 8.70 1m5hG1 ALA 6162 HA 0.07 0.15 0.99 -0.75 4.34 4.80 1m5hG1 ALA 6162 HB3 0.07 0.01 -0.10 -0.04 1.41 1.36 1m5hG1 GLY 6163 H 0.11 0.18 0.04 -0.55 8.43 8.22 1m5hG1 GLY 6163 HA2 0.15 0.01 0.32 -0.51 4.01 3.98 1m5hG1 GLY 6163 HA3 0.25 0.11 0.76 -0.51 4.01 4.62 1m5hG1 GLY 6164 H 0.08 0.44 0.08 -0.55 8.43 8.48 1m5hG1 GLY 6164 HA2 0.08 0.01 0.48 -0.51 4.01 4.07 1m5hG1 GLY 6164 HA3 0.07 0.07 0.32 -0.51 4.01 3.96 1m5hG1 ASN 6165 H 0.10 0.18 0.26 -0.55 8.53 8.52 1m5hG1 ASN 6165 HA 0.06 0.32 0.54 -0.75 4.76 4.93 1m5hG1 ASN 6165 HB2 0.05 -0.05 0.13 -0.04 2.88 2.98 1m5hG1 ASN 6165 HB3 0.06 0.12 -0.32 -0.04 2.79 2.61 1m5hG1 ASN 6165 HD21 0.02 0.14 0.14 -0.04 7.03 7.29 1m5hG1 ASN 6165 HD22 0.10 0.33 -0.09 -0.04 7.74 8.04 1m5hG1 PHE 6166 H -0.05 0.35 0.34 -0.55 8.34 8.43 1m5hG1 PHE 6166 HA -0.06 0.02 0.69 -0.75 4.62 4.51 1m5hG1 PHE 6166 HB2 0.04 0.16 0.26 -0.04 3.15 3.57 1m5hG1 PHE 6166 HB3 0.04 0.06 0.05 -0.04 3.06 3.18 1m5hG1 PHE 6166 HD2 0.08 0.04 -0.25 -0.04 7.28 7.11 1m5hG1 PHE 6166 HE2 0.07 0.03 -0.13 -0.04 7.38 7.31 1m5hG1 PHE 6166 HZ 0.06 0.05 -0.24 -0.04 7.32 7.16 1m5hG1 PHE 6167 H 0.20 0.56 0.15 -0.55 8.34 8.69 1m5hG1 PHE 6167 HA -0.05 0.22 1.07 -0.75 4.62 5.11 1m5hG1 PHE 6167 HB2 0.04 -0.09 -0.10 -0.04 3.15 2.96 1m5hG1 PHE 6167 HB3 0.02 0.08 -0.09 -0.04 3.06 3.02 1m5hG1 PHE 6167 HD2 -0.18 0.02 -0.50 -0.04 7.28 6.59 1m5hG1 PHE 6167 HE2 -0.81 0.01 -0.13 -0.04 7.38 6.40 1m5hG1 PHE 6167 HZ -0.39 -0.00 -0.08 -0.04 7.32 6.81 1m5hG1 ILE 6168 H 0.15 0.66 0.39 -0.55 8.25 8.89 1m5hG1 ILE 6168 HA 0.21 0.23 1.06 -0.75 4.18 4.92 1m5hG1 ILE 6168 HB 0.16 -0.05 0.21 -0.04 1.89 2.17 1m5hG1 ILE 6168 HG12 0.38 0.05 -0.12 -0.04 1.49 1.75 1m5hG1 ILE 6168 HG13 0.29 -0.08 -0.37 -0.04 1.21 1.01 1m5hG1 ILE 6168 HG23 0.14 -0.01 -0.15 -0.04 0.93 0.87 1m5hG1 ILE 6168 HD13 0.19 -0.01 -0.20 -0.04 0.88 0.81 1m5hG1 MET 6169 H 0.12 0.71 0.38 -0.55 8.47 9.13 1m5hG1 MET 6169 HA 0.06 0.27 1.16 -0.75 4.52 5.26 1m5hG1 MET 6169 HB2 0.08 -0.00 0.21 -0.04 2.15 2.39 1m5hG1 MET 6169 HB3 0.05 0.00 0.05 -0.04 2.03 2.10 1m5hG1 MET 6169 HG2 0.12 0.03 -0.07 -0.04 2.63 2.66 1m5hG1 MET 6169 HG3 0.18 -0.06 -0.22 -0.04 2.56 2.41 1m5hG1 MET 6169 HE3 0.19 -0.01 -0.15 -0.04 2.10 2.08 1m5hG1 ALA 6170 H 0.03 0.60 0.38 -0.55 8.40 8.87 1m5hG1 ALA 6170 HA 0.04 0.09 1.20 -0.75 4.34 4.90 1m5hG1 ALA 6170 HB3 0.06 0.01 -0.11 -0.04 1.41 1.32 1m5hG1 GLU 6171 H 0.02 0.69 0.38 -0.55 8.60 9.15 1m5hG1 GLU 6171 HA 0.01 0.28 0.68 -0.75 4.29 4.51 1m5hG1 GLU 6171 HB2 0.01 -0.08 0.15 -0.04 2.09 2.14 1m5hG1 GLU 6171 HB3 0.01 0.02 0.16 -0.04 1.99 2.14 1m5hG1 GLU 6171 HG2 0.01 0.03 0.03 -0.04 2.34 2.37 1m5hG1 GLU 6171 HG3 0.01 0.20 0.16 -0.04 2.34 2.67 1m5hG1 THR 6172 H 0.03 0.15 0.00 -0.55 8.28 7.91 1m5hG1 THR 6172 HA 0.01 0.25 0.71 -0.75 4.39 4.61 1m5hG1 THR 6172 HB 0.02 -0.01 0.14 -0.04 4.32 4.43 1m5hG1 THR 6172 HG23 0.01 0.03 -0.15 -0.04 1.22 1.08 1m5hG1 GLN 6173 H 0.03 0.22 0.10 -0.55 8.47 8.27 1m5hG1 GLN 6173 HA 0.07 0.07 0.37 -0.75 4.36 4.11 1m5hG1 GLN 6173 HB2 0.03 0.06 0.13 -0.04 2.15 2.33 1m5hG1 GLN 6173 HB3 0.06 0.04 0.10 -0.04 2.02 2.19 1m5hG1 GLN 6173 HG2 0.22 -0.03 -0.07 -0.04 2.40 2.47 1m5hG1 GLN 6173 HG3 0.03 0.02 0.06 -0.04 2.39 2.46 1m5hG1 GLN 6173 HE21 0.05 0.02 0.01 -0.04 6.97 7.00 1m5hG1 GLN 6173 HE22 0.06 -0.02 -0.00 -0.04 7.69 7.69 1m5hG1 PRO 6174 HA 0.05 0.07 0.40 -0.51 4.44 4.46 1m5hG1 PRO 6174 HB2 0.03 0.03 0.01 -0.04 2.28 2.30 1m5hG1 PRO 6174 HB3 0.02 0.08 0.04 -0.04 2.02 2.12 1m5hG1 PRO 6174 HG2 0.03 0.09 0.05 -0.04 2.03 2.15 1m5hG1 PRO 6174 HG3 0.04 0.07 0.04 -0.04 2.03 2.14 1m5hG1 PRO 6174 HD2 0.04 0.05 0.05 -0.04 3.68 3.77 1m5hG1 PRO 6174 HD3 0.05 0.11 0.15 -0.04 3.65 3.91 1m5hG1 SER 6175 H 0.05 0.08 -0.37 -0.55 8.46 7.68 1m5hG1 SER 6175 HA 0.04 0.11 0.37 -0.75 4.49 4.25 1m5hG1 SER 6175 HB2 0.04 -0.12 0.09 -0.04 3.95 3.92 1m5hG1 SER 6175 HB3 0.04 0.06 -0.13 -0.04 3.93 3.86 1m5hG1 ALA 6176 H 0.11 0.37 -0.22 -0.55 8.40 8.11 1m5hG1 ALA 6176 HA 0.13 0.06 0.28 -0.75 4.34 4.06 1m5hG1 ALA 6176 HB3 0.23 0.02 -0.06 -0.04 1.41 1.56 1m5hG1 LEU 6177 H 0.17 0.59 -0.11 -0.55 8.37 8.48 1m5hG1 LEU 6177 HA -0.48 0.03 0.40 -0.75 4.35 3.54 1m5hG1 LEU 6177 HB2 -0.06 0.00 0.04 -0.04 1.64 1.58 1m5hG1 LEU 6177 HB3 -0.02 0.05 0.10 -0.04 1.64 1.72 1m5hG1 LEU 6177 HG -0.13 0.00 -0.18 -0.04 1.64 1.29 1m5hG1 LEU 6177 HD13 -0.53 -0.01 0.00 -0.04 0.93 0.35 1m5hG1 LEU 6177 HD23 -0.05 -0.01 -0.04 -0.04 0.89 0.74 1m5hG1 ALA 6178 H 0.01 0.76 -0.07 -0.55 8.40 8.55 1m5hG1 ALA 6178 HA -0.02 -0.01 0.40 -0.75 4.34 3.95 1m5hG1 ALA 6178 HB3 0.01 0.02 0.09 -0.04 1.41 1.48 1m5hG1 ALA 6179 H 0.04 0.47 -0.33 -0.55 8.40 8.03 1m5hG1 ALA 6179 HA 0.05 0.07 0.50 -0.75 4.34 4.21 1m5hG1 ALA 6179 HB3 0.08 0.03 0.09 -0.04 1.41 1.57 1m5hG1 ALA 6180 H 0.00 0.49 -0.17 -0.55 8.40 8.18 1m5hG1 ALA 6180 HA 0.03 0.01 0.36 -0.75 4.34 3.98 1m5hG1 ALA 6180 HB3 -0.13 0.02 0.06 -0.04 1.41 1.32 1m5hG1 LYS 6181 H -0.05 0.67 -0.11 -0.55 8.42 8.37 1m5hG1 LYS 6181 HA -0.02 0.05 0.41 -0.75 4.32 4.01 1m5hG1 LYS 6181 HB2 -0.06 0.06 0.10 -0.04 1.87 1.93 1m5hG1 LYS 6181 HB3 -0.02 0.08 0.07 -0.04 1.79 1.88 1m5hG1 LYS 6181 HG2 -0.02 0.01 0.05 -0.04 1.46 1.46 1m5hG1 LYS 6181 HG3 -0.03 -0.04 -0.01 -0.04 1.46 1.34 1m5hG1 LYS 6181 HD2 -0.01 0.02 -0.16 -0.04 1.69 1.51 1m5hG1 LYS 6181 HD3 0.00 -0.05 -0.14 -0.04 1.68 1.45 1m5hG1 LYS 6181 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.90 1m5hG1 LYS 6181 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.95 1m5hG1 ALA 6182 H 0.02 0.48 -0.28 -0.55 8.40 8.07 1m5hG1 ALA 6182 HA 0.03 -0.02 0.41 -0.75 4.34 3.99 1m5hG1 ALA 6182 HB3 0.04 0.05 0.04 -0.04 1.41 1.49 1m5hG1 ALA 6183 H 0.08 0.47 -0.26 -0.55 8.40 8.14 1m5hG1 ALA 6183 HA 0.12 0.01 0.47 -0.75 4.34 4.19 1m5hG1 ALA 6183 HB3 0.27 0.03 0.10 -0.04 1.41 1.76 1m5hG1 VAL 6184 H 0.04 0.44 -0.18 -0.55 8.24 7.99 1m5hG1 VAL 6184 HA 0.06 0.02 0.41 -0.75 4.13 3.86 1m5hG1 VAL 6184 HB 0.02 0.07 0.15 -0.04 2.12 2.32 1m5hG1 VAL 6184 HG13 0.04 0.02 -0.06 -0.04 0.97 0.94 1m5hG1 VAL 6184 HG23 0.00 0.10 0.01 -0.04 0.95 1.03 1m5hG1 ASP 6185 H 0.04 0.48 -0.19 -0.55 8.40 8.18 1m5hG1 ASP 6185 HA 0.04 0.02 0.46 -0.75 4.63 4.39 1m5hG1 ASP 6185 HB2 0.03 0.18 0.19 -0.04 2.71 3.06 1m5hG1 ASP 6185 HB3 0.02 -0.06 -0.03 -0.04 2.70 2.60 1m5hG1 ALA 6186 H 0.05 0.53 -0.11 -0.55 8.40 8.33 1m5hG1 ALA 6186 HA 0.04 -0.01 0.41 -0.75 4.34 4.03 1m5hG1 ALA 6186 HB3 0.06 0.02 0.05 -0.04 1.41 1.49 1m5hG1 ILE 6187 H 0.08 0.62 -0.22 -0.55 8.25 8.18 1m5hG1 ILE 6187 HA 0.07 -0.03 0.45 -0.75 4.18 3.91 1m5hG1 ILE 6187 HB 0.08 0.11 0.09 -0.04 1.89 2.13 1m5hG1 ILE 6187 HG12 0.12 -0.02 0.04 -0.04 1.49 1.58 1m5hG1 ILE 6187 HG13 0.13 0.13 0.04 -0.04 1.21 1.47 1m5hG1 ILE 6187 HG23 0.08 -0.03 -0.10 -0.04 0.93 0.84 1m5hG1 ILE 6187 HD13 0.20 -0.05 -0.14 -0.04 0.88 0.85 1m5hG1 SER 6188 H 0.06 0.33 -0.47 -0.55 8.46 7.83 1m5hG1 SER 6188 HA 0.07 0.08 0.41 -0.75 4.49 4.30 1m5hG1 SER 6188 HB2 0.07 -0.11 0.10 -0.04 3.95 3.97 1m5hG1 SER 6188 HB3 0.06 0.08 0.18 -0.04 3.93 4.21 1m5hG1 ASP 6189 H 0.05 0.30 -0.44 -0.55 8.40 7.76 1m5hG1 ASP 6189 HA 0.05 0.05 0.63 -0.75 4.63 4.60 1m5hG1 ASP 6189 HB2 0.03 0.13 0.03 -0.04 2.71 2.87 1m5hG1 ASP 6189 HB3 0.03 -0.11 0.08 -0.04 2.70 2.66 1m5hG1 VAL 6190 H 0.05 0.33 -0.28 -0.55 8.24 7.78 1m5hG1 VAL 6190 HA 0.03 -0.03 0.56 -0.75 4.13 3.94 1m5hG1 VAL 6190 HB 0.05 0.16 0.09 -0.04 2.12 2.37 1m5hG1 VAL 6190 HG13 0.03 -0.02 -0.14 -0.04 0.97 0.80 1m5hG1 VAL 6190 HG23 0.04 0.01 -0.04 -0.04 0.95 0.92 1m5hG1 GLU 6191 H 0.02 0.05 0.17 -0.55 8.60 8.29 1m5hG1 GLU 6191 HA 0.03 0.19 0.60 -0.75 4.29 4.35 1m5hG1 GLU 6191 HB2 0.01 0.09 0.09 -0.04 2.09 2.23 1m5hG1 GLU 6191 HB3 -0.00 -0.05 0.11 -0.04 1.99 2.00 1m5hG1 GLU 6191 HG2 -0.03 -0.04 -0.14 -0.04 2.34 2.08 1m5hG1 GLU 6191 HG3 -0.04 -0.00 0.06 -0.04 2.34 2.32 1m5hG1 GLY 6192 H -0.00 0.19 0.12 -0.55 8.43 8.19 1m5hG1 GLY 6192 HA2 -0.00 0.00 0.31 -0.51 4.01 3.80 1m5hG1 GLY 6192 HA3 -0.00 -0.01 0.47 -0.51 4.01 3.96 1m5hG1 VAL 6193 H 0.04 0.33 -0.28 -0.55 8.24 7.79 1m5hG1 VAL 6193 HA 0.04 0.18 1.08 -0.75 4.13 4.67 1m5hG1 VAL 6193 HB 0.05 0.13 -0.16 -0.04 2.12 2.10 1m5hG1 VAL 6193 HG13 0.06 0.01 -0.15 -0.04 0.97 0.86 1m5hG1 VAL 6193 HG23 0.03 -0.02 -0.40 -0.04 0.95 0.52 1m5hG1 ILE 6194 H 0.06 0.55 0.32 -0.55 8.25 8.62 1m5hG1 ILE 6194 HA 0.07 0.30 0.56 -0.75 4.18 4.35 1m5hG1 ILE 6194 HB 0.06 -0.00 -0.22 -0.04 1.89 1.68 1m5hG1 ILE 6194 HG12 0.05 0.00 -0.16 -0.04 1.49 1.35 1m5hG1 ILE 6194 HG13 0.06 -0.05 -0.31 -0.04 1.21 0.87 1m5hG1 ILE 6194 HG23 0.07 0.00 -0.48 -0.04 0.93 0.47 1m5hG1 ILE 6194 HD13 0.04 -0.02 -0.35 -0.04 0.88 0.52 1m5hG1 THR 6195 H 0.07 0.28 0.02 -0.55 8.28 8.10 1m5hG1 THR 6195 HA 0.08 0.32 0.99 -0.75 4.39 5.03 1m5hG1 THR 6195 HB 0.07 0.05 0.22 -0.04 4.32 4.61 1m5hG1 THR 6195 HG23 0.06 0.01 -0.12 -0.04 1.22 1.13 1m5hG1 PRO 6196 HA 0.04 0.25 0.53 -0.51 4.44 4.75 1m5hG1 PRO 6196 HB2 -0.00 0.10 0.16 -0.04 2.28 2.50 1m5hG1 PRO 6196 HB3 0.04 -0.01 0.02 -0.04 2.02 2.03 1m5hG1 PRO 6196 HG2 0.32 -0.03 0.01 -0.04 2.03 2.29 1m5hG1 PRO 6196 HG3 0.13 -0.10 -0.05 -0.04 2.03 1.98 1m5hG1 PRO 6196 HD2 0.13 0.35 0.13 -0.04 3.68 4.24 1m5hG1 PRO 6196 HD3 0.09 0.07 -0.20 -0.04 3.65 3.57 1m5hG1 PHE 6197 H 0.35 0.05 -0.28 -0.55 8.34 7.92 1m5hG1 PHE 6197 HA 0.01 0.10 0.62 -0.75 4.62 4.60 1m5hG1 PHE 6197 HB2 -0.00 -0.03 -0.26 -0.04 3.15 2.81 1m5hG1 PHE 6197 HB3 0.01 0.26 -0.15 -0.04 3.06 3.13 1m5hG1 PHE 6197 HD2 0.01 0.02 -0.00 -0.04 7.28 7.27 1m5hG1 PHE 6197 HE2 0.01 -0.03 -0.03 -0.04 7.38 7.29 1m5hG1 PHE 6197 HZ 0.01 -0.06 -0.11 -0.04 7.32 7.11 1m5hG1 PRO 6198 HA 0.04 0.05 0.52 -0.51 4.44 4.53 1m5hG1 PRO 6198 HB2 0.08 0.05 0.22 -0.04 2.28 2.59 1m5hG1 PRO 6198 HB3 0.04 0.04 0.12 -0.04 2.02 2.18 1m5hG1 PRO 6198 HG2 0.05 -0.00 0.15 -0.04 2.03 2.19 1m5hG1 PRO 6198 HG3 -0.01 0.04 0.14 -0.04 2.03 2.16 1m5hG1 PRO 6198 HD2 0.28 0.15 0.25 -0.04 3.68 4.32 1m5hG1 PRO 6198 HD3 -0.18 0.07 0.25 -0.04 3.65 3.75 1m5hG1 GLY 6199 H 0.05 0.20 0.27 -0.55 8.43 8.40 1m5hG1 GLY 6199 HA2 0.05 0.02 0.37 -0.51 4.01 3.94 1m5hG1 GLY 6199 HA3 0.03 0.05 0.50 -0.51 4.01 4.08 1m5hG1 GLY 6200 H 0.08 0.68 -0.45 -0.55 8.43 8.20 1m5hG1 GLY 6200 HA2 0.10 0.15 0.21 -0.51 4.01 3.95 1m5hG1 GLY 6200 HA3 0.05 0.07 0.50 -0.51 4.01 4.12 1m5hG1 ILE 6201 H 0.08 0.40 -0.58 -0.55 8.25 7.60 1m5hG1 ILE 6201 HA -0.04 0.22 1.04 -0.75 4.18 4.64 1m5hG1 ILE 6201 HB -0.05 0.03 -0.05 -0.04 1.89 1.78 1m5hG1 ILE 6201 HG12 -0.07 0.07 -0.32 -0.04 1.49 1.13 1m5hG1 ILE 6201 HG13 -0.03 0.11 -0.60 -0.04 1.21 0.65 1m5hG1 ILE 6201 HG23 -0.15 -0.03 -0.24 -0.04 0.93 0.48 1m5hG1 ILE 6201 HD13 -0.14 -0.03 -0.18 -0.04 0.88 0.49 1m5hG1 VAL 6202 H -0.12 0.87 0.37 -0.55 8.24 8.81 1m5hG1 VAL 6202 HA -0.05 0.06 0.82 -0.75 4.13 4.21 1m5hG1 VAL 6202 HB -0.32 0.02 0.16 -0.04 2.12 1.93 1m5hG1 VAL 6202 HG13 -0.34 -0.00 -0.09 -0.04 0.97 0.50 1m5hG1 VAL 6202 HG23 -1.24 0.01 -0.08 -0.04 0.95 -0.41 1m5hG1 ALA 6203 H 0.10 0.13 0.21 -0.55 8.40 8.29 1m5hG1 ALA 6203 HA 0.18 0.24 0.85 -0.75 4.34 4.85 1m5hG1 ALA 6203 HB3 0.18 0.01 0.07 -0.04 1.41 1.63 1m5hG1 SER 6204 H 0.01 -0.10 0.06 -0.55 8.46 7.89 1m5hG1 SER 6204 HA -0.04 0.22 0.82 -0.75 4.49 4.74 1m5hG1 SER 6204 HB2 0.01 0.10 0.01 -0.04 3.95 4.03 1m5hG1 SER 6204 HB3 0.04 -0.01 0.05 -0.04 3.93 3.97 1m5hG1 GLY 6205 H -0.09 -0.07 -0.01 -0.55 8.43 7.71 1m5hG1 GLY 6205 HA2 -0.20 -0.01 0.28 -0.51 4.01 3.56 1m5hG1 GLY 6205 HA3 -0.22 0.20 0.48 -0.51 4.01 3.96 1m5hG1 SER 6206 H -0.06 0.24 0.13 -0.55 8.46 8.22 1m5hG1 SER 6206 HA 0.01 0.13 0.55 -0.75 4.49 4.42 1m5hG1 SER 6206 HB2 0.04 0.03 -0.42 -0.04 3.95 3.55 1m5hG1 SER 6206 HB3 0.05 -0.07 -0.17 -0.04 3.93 3.70 1m5hG1 LYS 6207 H 0.05 0.68 0.24 -0.55 8.42 8.83 1m5hG1 LYS 6207 HA 0.12 0.14 0.81 -0.75 4.32 4.63 1m5hG1 LYS 6207 HB2 0.07 0.00 0.04 -0.04 1.87 1.95 1m5hG1 LYS 6207 HB3 0.05 -0.10 -0.12 -0.04 1.79 1.57 1m5hG1 LYS 6207 HG2 0.04 0.13 -0.28 -0.04 1.46 1.30 1m5hG1 LYS 6207 HG3 0.04 0.16 -0.55 -0.04 1.46 1.07 1m5hG1 LYS 6207 HD2 0.04 0.02 -0.11 -0.04 1.69 1.60 1m5hG1 LYS 6207 HD3 0.04 -0.12 -0.02 -0.04 1.68 1.54 1m5hG1 LYS 6207 HE2 0.01 0.03 -0.23 -0.04 2.99 2.75 1m5hG1 LYS 6207 HE3 0.01 -0.06 -0.06 -0.04 2.99 2.83 1m5hG1 VAL 6208 H 0.19 0.10 0.10 -0.55 8.24 8.07 1m5hG1 VAL 6208 HA 0.06 0.10 0.54 -0.75 4.13 4.07 1m5hG1 VAL 6208 HB 0.10 -0.03 0.10 -0.04 2.12 2.25 1m5hG1 VAL 6208 HG13 0.01 0.02 -0.09 -0.04 0.97 0.87 1m5hG1 VAL 6208 HG23 0.09 -0.01 0.03 -0.04 0.95 1.02 1m5hG1 GLY 6209 H 0.02 0.57 0.08 -0.55 8.43 8.55 1m5hG1 GLY 6209 HA2 0.01 0.22 -0.06 -0.51 4.01 3.66 1m5hG1 GLY 6209 HA3 0.01 0.01 0.31 -0.51 4.01 3.83 1m5hG1 ALA 6210 H -0.02 0.31 0.07 -0.55 8.40 8.23 1m5hG1 ALA 6210 HA -0.02 0.08 0.34 -0.75 4.34 3.99 1m5hG1 ALA 6210 HB3 -0.06 0.05 -0.20 -0.04 1.41 1.16 1m5hG1 ASN 6211 H -0.07 0.11 0.07 -0.55 8.53 8.10 1m5hG1 ASN 6211 HA -0.05 0.20 0.55 -0.75 4.76 4.71 1m5hG1 ASN 6211 HB2 -0.08 -0.07 0.12 -0.04 2.88 2.80 1m5hG1 ASN 6211 HB3 -0.06 0.06 -0.01 -0.04 2.79 2.75 1m5hG1 ASN 6211 HD21 -0.01 0.03 -0.02 -0.04 7.03 6.99 1m5hG1 ASN 6211 HD22 -0.04 -0.02 0.03 -0.04 7.74 7.67 1m5hG1 LYS 6212 H -0.24 0.02 0.04 -0.55 8.42 7.69 1m5hG1 LYS 6212 HA -0.19 0.23 0.71 -0.75 4.32 4.32 1m5hG1 LYS 6212 HB2 -0.30 0.01 0.06 -0.04 1.87 1.60 1m5hG1 LYS 6212 HB3 -0.79 -0.03 0.05 -0.04 1.79 0.98 1m5hG1 LYS 6212 HG2 -0.71 0.00 -0.12 -0.04 1.46 0.59 1m5hG1 LYS 6212 HG3 -0.23 0.03 0.08 -0.04 1.46 1.30 1m5hG1 LYS 6212 HD2 -0.20 0.01 0.01 -0.04 1.69 1.47 1m5hG1 LYS 6212 HD3 -0.43 -0.01 -0.02 -0.04 1.68 1.18 1m5hG1 LYS 6212 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.94 1m5hG1 LYS 6212 HE3 -0.06 0.01 0.01 -0.04 2.99 2.91 1m5hG1 TYR 6213 H -0.27 0.02 -0.26 -0.55 8.29 7.24 1m5hG1 TYR 6213 HA -0.19 0.26 0.85 -0.75 4.56 4.72 1m5hG1 TYR 6213 HB2 -0.52 -0.02 0.18 -0.04 3.06 2.65 1m5hG1 TYR 6213 HB3 -1.24 0.03 0.08 -0.04 2.98 1.81 1m5hG1 TYR 6213 HD2 -0.05 0.04 -0.03 -0.04 7.15 7.07 1m5hG1 TYR 6213 HE2 0.01 0.03 -0.03 -0.04 6.85 6.82 1m5hG1 LYS 6214 H -0.02 0.28 -0.21 -0.55 8.42 7.92 1m5hG1 LYS 6214 HA -0.06 0.12 0.31 -0.75 4.32 3.94 1m5hG1 LYS 6214 HB2 0.04 -0.01 0.05 -0.04 1.87 1.91 1m5hG1 LYS 6214 HB3 0.02 0.02 0.18 -0.04 1.79 1.96 1m5hG1 LYS 6214 HG2 -0.03 0.20 -0.04 -0.04 1.46 1.55 1m5hG1 LYS 6214 HG3 -0.01 0.00 -0.08 -0.04 1.46 1.32 1m5hG1 LYS 6214 HD2 -0.00 0.04 0.04 -0.04 1.69 1.72 1m5hG1 LYS 6214 HD3 0.02 -0.04 0.02 -0.04 1.68 1.64 1m5hG1 LYS 6214 HE2 0.01 -0.02 0.05 -0.04 2.99 2.99 1m5hG1 LYS 6214 HE3 -0.00 0.05 0.05 -0.04 2.99 3.04 1m5hG1 PHE 6215 H -0.50 0.12 -0.86 -0.55 8.34 6.55 1m5hG1 PHE 6215 HA 0.03 0.24 0.87 -0.75 4.62 5.00 1m5hG1 PHE 6215 HB2 0.02 0.01 0.09 -0.04 3.15 3.23 1m5hG1 PHE 6215 HB3 0.04 -0.01 -0.08 -0.04 3.06 2.97 1m5hG1 PHE 6215 HD2 0.04 0.00 -0.25 -0.04 7.28 7.03 1m5hG1 PHE 6215 HE2 -0.01 0.00 -0.04 -0.04 7.38 7.29 1m5hG1 PHE 6215 HZ -0.24 -0.00 -0.02 -0.04 7.32 7.01 1m5hG1 LEU 6216 H -0.23 0.30 0.04 -0.55 8.37 7.93 1m5hG1 LEU 6216 HA 0.10 0.11 0.67 -0.75 4.35 4.48 1m5hG1 LEU 6216 HB2 -0.09 0.01 -0.07 -0.04 1.64 1.44 1m5hG1 LEU 6216 HB3 -0.01 0.09 0.09 -0.04 1.64 1.77 1m5hG1 LEU 6216 HG -0.04 0.02 0.07 -0.04 1.64 1.65 1m5hG1 LEU 6216 HD13 0.12 0.00 0.02 -0.04 0.93 1.03 1m5hG1 LEU 6216 HD23 -0.66 -0.03 0.03 -0.04 0.89 0.19 1m5hG1 LYS 6217 H 0.04 0.15 0.19 -0.55 8.42 8.25 1m5hG1 LYS 6217 HA 0.02 0.15 0.61 -0.75 4.32 4.34 1m5hG1 LYS 6217 HB2 0.02 -0.02 0.08 -0.04 1.87 1.91 1m5hG1 LYS 6217 HB3 0.00 -0.02 0.10 -0.04 1.79 1.83 1m5hG1 LYS 6217 HG2 0.04 0.00 0.06 -0.04 1.46 1.52 1m5hG1 LYS 6217 HG3 0.02 0.06 0.05 -0.04 1.46 1.55 1m5hG1 LYS 6217 HD2 0.01 -0.03 0.03 -0.04 1.69 1.65 1m5hG1 LYS 6217 HD3 0.03 0.05 -0.12 -0.04 1.68 1.60 1m5hG1 LYS 6217 HE2 0.04 0.05 -0.02 -0.04 2.99 3.02 1m5hG1 LYS 6217 HE3 0.02 0.00 0.01 -0.04 2.99 2.98 1m5hG1 ALA 6218 H 0.02 0.17 0.04 -0.55 8.40 8.08 1m5hG1 ALA 6218 HA 0.03 0.21 0.61 -0.75 4.34 4.43 1m5hG1 ALA 6218 HB3 0.03 0.00 -0.07 -0.04 1.41 1.34 1m5hG1 SER 6219 H 0.03 0.50 0.30 -0.55 8.46 8.74 1m5hG1 SER 6219 HA 0.03 0.05 0.55 -0.75 4.49 4.37 1m5hG1 SER 6219 HB2 0.03 -0.15 0.18 -0.04 3.95 3.97 1m5hG1 SER 6219 HB3 0.01 0.08 -0.14 -0.04 3.93 3.84 1m5hG1 THR 6220 H 0.03 0.09 0.13 -0.55 8.28 7.99 1m5hG1 THR 6220 HA 0.01 0.21 0.29 -0.75 4.39 4.15 1m5hG1 THR 6220 HB 0.02 -0.07 -0.07 -0.04 4.32 4.16 1m5hG1 THR 6220 HG23 0.00 0.03 -0.13 -0.04 1.22 1.08 1m5hG1 ASN 6221 H 0.01 0.32 -0.13 -0.55 8.53 8.18 1m5hG1 ASN 6221 HA 0.06 0.14 0.59 -0.75 4.76 4.79 1m5hG1 ASN 6221 HB2 0.02 0.02 -0.30 -0.04 2.88 2.58 1m5hG1 ASN 6221 HB3 0.04 0.04 0.03 -0.04 2.79 2.86 1m5hG1 ASN 6221 HD21 0.08 0.04 -0.06 -0.04 7.03 7.05 1m5hG1 ASN 6221 HD22 -0.09 0.04 -0.07 -0.04 7.74 7.58 1m5hG1 GLU 6222 H 0.03 0.37 -0.17 -0.55 8.60 8.28 1m5hG1 GLU 6222 HA 0.02 0.06 0.22 -0.75 4.29 3.83 1m5hG1 GLU 6222 HB2 -0.00 0.05 -0.02 -0.04 2.09 2.08 1m5hG1 GLU 6222 HB3 0.00 0.02 0.01 -0.04 1.99 1.98 1m5hG1 GLU 6222 HG2 0.01 -0.00 -0.17 -0.04 2.34 2.14 1m5hG1 GLU 6222 HG3 -0.01 0.05 -0.08 -0.04 2.34 2.25 1m5hG1 LYS 6223 H 0.08 0.06 -0.55 -0.55 8.42 7.45 1m5hG1 LYS 6223 HA -0.08 0.09 0.31 -0.75 4.32 3.88 1m5hG1 LYS 6223 HB2 0.18 -0.04 -0.08 -0.04 1.87 1.89 1m5hG1 LYS 6223 HB3 -0.20 0.05 -0.02 -0.04 1.79 1.58 1m5hG1 LYS 6223 HG2 -0.05 0.14 -0.29 -0.04 1.46 1.22 1m5hG1 LYS 6223 HG3 0.01 -0.10 -0.12 -0.04 1.46 1.21 1m5hG1 LYS 6223 HD2 0.08 -0.07 -0.06 -0.04 1.69 1.61 1m5hG1 LYS 6223 HD3 0.02 0.09 -0.05 -0.04 1.68 1.70 1m5hG1 LYS 6223 HE2 -0.00 0.09 -0.03 -0.04 2.99 3.01 1m5hG1 LYS 6223 HE3 0.01 -0.05 -0.05 -0.04 2.99 2.86 1m5hG1 PHE 6224 H 0.21 0.59 -0.42 -0.55 8.34 8.16 1m5hG1 PHE 6224 HA -0.01 0.17 0.71 -0.75 4.62 4.74 1m5hG1 PHE 6224 HB2 -0.05 0.04 -0.02 -0.04 3.15 3.07 1m5hG1 PHE 6224 HB3 -0.06 -0.01 0.06 -0.04 3.06 3.02 1m5hG1 PHE 6224 HD2 0.11 -0.05 -0.20 -0.04 7.28 7.10 1m5hG1 PHE 6224 HE2 0.07 -0.00 -0.09 -0.04 7.38 7.31 1m5hG1 PHE 6224 HZ -0.02 0.01 -0.03 -0.04 7.32 7.24 1m5hG1 ALA 6225 H 0.00 0.42 -0.35 -0.55 8.40 7.93 1m5hG1 ALA 6225 HA -0.02 0.22 0.75 -0.75 4.34 4.53 1m5hG1 ALA 6225 HB3 -0.01 0.01 0.02 -0.04 1.41 1.40 1m5hG1 PRO 6226 HA -0.04 0.09 0.31 -0.51 4.44 4.29 1m5hG1 PRO 6226 HB2 -0.04 0.12 -0.05 -0.04 2.28 2.26 1m5hG1 PRO 6226 HB3 -0.03 0.17 -0.19 -0.04 2.02 1.93 1m5hG1 PRO 6226 HG2 -0.06 -0.09 -0.27 -0.04 2.03 1.57 1m5hG1 PRO 6226 HG3 -0.03 0.05 -0.26 -0.04 2.03 1.76 1m5hG1 PRO 6226 HD2 -0.06 0.06 0.18 -0.04 3.68 3.81 1m5hG1 PRO 6226 HD3 -0.03 0.56 0.20 -0.04 3.65 4.34 1m5hG1 SER 6227 H -0.03 0.12 -0.14 -0.55 8.46 7.86 1m5hG1 SER 6227 HA -0.02 0.15 0.43 -0.75 4.49 4.29 1m5hG1 SER 6227 HB2 -0.01 0.01 0.12 -0.04 3.95 4.03 1m5hG1 SER 6227 HB3 -0.02 0.03 0.11 -0.04 3.93 4.01 1m5hG1 ILE 6228 H -0.02 0.34 -0.45 -0.55 8.25 7.57 1m5hG1 ILE 6228 HA -0.01 0.23 0.93 -0.75 4.18 4.57 1m5hG1 ILE 6228 HB -0.01 -0.04 0.10 -0.04 1.89 1.89 1m5hG1 ILE 6228 HG12 -0.02 -0.03 -0.05 -0.04 1.49 1.36 1m5hG1 ILE 6228 HG13 -0.02 0.12 -0.16 -0.04 1.21 1.10 1m5hG1 ILE 6228 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.70 1m5hG1 ILE 6228 HD13 -0.01 -0.03 -0.03 -0.04 0.88 0.77 1m5hG1 ARG 6229 H -0.03 0.45 -0.14 -0.55 8.46 8.18 1m5hG1 ARG 6229 HA -0.04 0.03 0.38 -0.75 4.34 3.94 1m5hG1 ARG 6229 HB2 -0.05 -0.01 0.07 -0.04 1.90 1.88 1m5hG1 ARG 6229 HB3 -0.04 0.07 0.12 -0.04 1.80 1.90 1m5hG1 ARG 6229 HG2 -0.03 0.00 0.04 -0.04 1.67 1.64 1m5hG1 ARG 6229 HG3 -0.03 -0.06 -0.23 -0.04 1.67 1.31 1m5hG1 ARG 6229 HD2 -0.03 0.11 0.01 -0.04 3.22 3.27 1m5hG1 ARG 6229 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.11 1m5hG1 ASP 6230 H -0.02 0.13 -0.39 -0.55 8.40 7.57 1m5hG1 ASP 6230 HA -0.02 0.16 0.58 -0.75 4.63 4.59 1m5hG1 ASP 6230 HB2 -0.01 0.01 0.00 -0.04 2.71 2.67 1m5hG1 ASP 6230 HB3 -0.01 -0.01 0.15 -0.04 2.70 2.78 1m5hG1 GLN 6231 H -0.02 0.48 -0.43 -0.55 8.47 7.95 1m5hG1 GLN 6231 HA -0.02 0.16 0.83 -0.75 4.36 4.58 1m5hG1 GLN 6231 HB2 -0.01 0.10 0.03 -0.04 2.15 2.22 1m5hG1 GLN 6231 HB3 -0.01 -0.07 0.12 -0.04 2.02 2.02 1m5hG1 GLN 6231 HG2 -0.01 0.02 -0.07 -0.04 2.40 2.30 1m5hG1 GLN 6231 HG3 -0.01 -0.09 -0.47 -0.04 2.39 1.77 1m5hG1 GLN 6231 HE21 -0.01 -0.00 0.00 -0.04 6.97 6.93 1m5hG1 GLN 6231 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 1m5hG1 VAL 6232 H -0.03 0.26 -0.05 -0.55 8.24 7.87 1m5hG1 VAL 6232 HA -0.02 0.14 1.01 -0.75 4.13 4.51 1m5hG1 VAL 6232 HB -0.04 0.01 0.02 -0.04 2.12 2.06 1m5hG1 VAL 6232 HG13 -0.03 -0.01 -0.38 -0.04 0.97 0.51 1m5hG1 VAL 6232 HG23 -0.02 0.09 -0.18 -0.04 0.95 0.80 1m5hG1 GLU 6233 H -0.02 0.16 0.10 -0.55 8.60 8.29 1m5hG1 GLU 6233 HA -0.03 0.09 0.56 -0.75 4.29 4.15 1m5hG1 GLU 6233 HB2 -0.02 0.03 0.07 -0.04 2.09 2.13 1m5hG1 GLU 6233 HB3 -0.02 -0.02 0.11 -0.04 1.99 2.03 1m5hG1 GLU 6233 HG2 -0.02 0.02 -0.13 -0.04 2.34 2.17 1m5hG1 GLU 6233 HG3 -0.02 0.01 0.03 -0.04 2.34 2.32 1m5hG1 GLY 6234 H -0.03 0.17 0.18 -0.55 8.43 8.20 1m5hG1 GLY 6234 HA2 -0.04 0.03 0.30 -0.51 4.01 3.79 1m5hG1 GLY 6234 HA3 -0.03 0.06 0.48 -0.51 4.01 4.01 1m5hG1 THR 6235 H -0.06 0.21 -0.23 -0.55 8.28 7.65 1m5hG1 THR 6235 HA -0.13 -0.04 0.32 -0.75 4.39 3.78 1m5hG1 THR 6235 HB -0.07 0.07 0.13 -0.04 4.32 4.41 1m5hG1 THR 6235 HG23 -0.07 0.01 0.06 -0.04 1.22 1.18 1m5hG1 GLN 6236 H -0.40 0.80 0.33 -0.55 8.47 8.65 1m5hG1 GLN 6236 HA -0.22 0.18 0.84 -0.75 4.36 4.40 1m5hG1 GLN 6236 HB2 -1.61 0.06 0.02 -0.04 2.15 0.58 1m5hG1 GLN 6236 HB3 -0.52 -0.08 0.15 -0.04 2.02 1.53 1m5hG1 GLN 6236 HG2 -0.33 0.07 -0.07 -0.04 2.40 2.02 1m5hG1 GLN 6236 HG3 -0.24 -0.10 -0.03 -0.04 2.39 1.98 1m5hG1 GLN 6236 HE21 -0.04 -0.03 -0.02 -0.04 6.97 6.85 1m5hG1 GLN 6236 HE22 0.00 -0.06 -0.01 -0.04 7.69 7.58 1m5hG1 ILE 6237 H -0.18 0.06 -0.21 -0.55 8.25 7.38 1m5hG1 ILE 6237 HA -0.09 0.16 0.72 -0.75 4.18 4.22 1m5hG1 ILE 6237 HB -0.08 -0.05 0.00 -0.04 1.89 1.73 1m5hG1 ILE 6237 HG12 -0.16 0.01 -0.25 -0.04 1.49 1.05 1m5hG1 ILE 6237 HG13 -0.06 -0.08 -0.60 -0.04 1.21 0.44 1m5hG1 ILE 6237 HG23 -0.03 0.04 -0.18 -0.04 0.93 0.71 1m5hG1 ILE 6237 HD13 -0.01 0.04 -0.25 -0.04 0.88 0.62 1m5hG1 PRO 6238 HA -0.03 0.06 0.39 -0.51 4.44 4.34 1m5hG1 PRO 6238 HB2 -0.01 -0.07 -0.05 -0.04 2.28 2.11 1m5hG1 PRO 6238 HB3 -0.01 0.01 0.05 -0.04 2.02 2.03 1m5hG1 PRO 6238 HG2 0.00 0.03 -0.01 -0.04 2.03 2.01 1m5hG1 PRO 6238 HG3 -0.02 0.08 -0.02 -0.04 2.03 2.02 1m5hG1 PRO 6238 HD2 -0.00 0.03 0.14 -0.04 3.68 3.81 1m5hG1 PRO 6238 HD3 -0.03 0.43 0.28 -0.04 3.65 4.29 1m5hG1 ALA 6239 H -0.02 0.11 0.13 -0.55 8.40 8.07 1m5hG1 ALA 6239 HA -0.02 0.14 0.34 -0.75 4.34 4.05 1m5hG1 ALA 6239 HB3 -0.01 -0.00 0.08 -0.04 1.41 1.44 1m5hG1 GLY 6240 H -0.01 0.03 -0.21 -0.55 8.43 7.70 1m5hG1 GLY 6240 HA2 -0.01 0.16 0.58 -0.51 4.01 4.24 1m5hG1 GLY 6240 HA3 -0.00 -0.04 0.28 -0.51 4.01 3.74 1m5hG1 VAL 6241 H -0.01 0.43 -0.48 -0.55 8.24 7.63 1m5hG1 VAL 6241 HA 0.00 0.16 0.70 -0.75 4.13 4.24 1m5hG1 VAL 6241 HB -0.01 0.11 0.01 -0.04 2.12 2.19 1m5hG1 VAL 6241 HG13 0.01 -0.02 -0.08 -0.04 0.97 0.84 1m5hG1 VAL 6241 HG23 0.01 -0.05 -0.17 -0.04 0.95 0.69 1m5hG1 LYS 6242 H -0.00 0.39 0.27 -0.55 8.42 8.53 1m5hG1 LYS 6242 HA -0.02 0.22 0.89 -0.75 4.32 4.66 1m5hG1 LYS 6242 HB2 -0.00 0.02 -0.09 -0.04 1.87 1.75 1m5hG1 LYS 6242 HB3 -0.01 -0.12 0.08 -0.04 1.79 1.70 1m5hG1 LYS 6242 HG2 -0.01 -0.00 -0.08 -0.04 1.46 1.33 1m5hG1 LYS 6242 HG3 -0.00 0.09 -0.20 -0.04 1.46 1.30 1m5hG1 LYS 6242 HD2 0.00 0.13 0.18 -0.04 1.69 1.97 1m5hG1 LYS 6242 HD3 -0.00 -0.12 0.05 -0.04 1.68 1.57 1m5hG1 LYS 6242 HE2 0.00 -0.09 0.04 -0.04 2.99 2.90 1m5hG1 LYS 6242 HE3 -0.00 -0.03 0.00 -0.04 2.99 2.92 1m5hG1 ALA 6243 H -0.01 0.34 0.14 -0.55 8.40 8.33 1m5hG1 ALA 6243 HA -0.10 0.15 0.69 -0.75 4.34 4.33 1m5hG1 ALA 6243 HB3 -0.07 0.02 -0.17 -0.04 1.41 1.15 1m5hG1 VAL 6244 H -0.27 0.29 0.25 -0.55 8.24 7.96 1m5hG1 VAL 6244 HA -0.05 0.37 1.01 -0.75 4.13 4.71 1m5hG1 VAL 6244 HB -0.12 0.06 0.05 -0.04 2.12 2.07 1m5hG1 VAL 6244 HG13 -0.08 -0.01 -0.18 -0.04 0.97 0.66 1m5hG1 VAL 6244 HG23 0.04 -0.03 -0.22 -0.04 0.95 0.69 1m5hG1 TYR 6245 H 0.01 0.53 0.38 -0.55 8.29 8.66 1m5hG1 TYR 6245 HA -0.13 0.24 0.83 -0.75 4.56 4.74 1m5hG1 TYR 6245 HB2 -0.04 0.00 0.02 -0.04 3.06 3.01 1m5hG1 TYR 6245 HB3 -0.08 0.04 -0.00 -0.04 2.98 2.89 1m5hG1 TYR 6245 HD2 -0.03 0.02 -0.26 -0.04 7.15 6.83 1m5hG1 TYR 6245 HE2 -0.01 -0.03 -0.02 -0.04 6.85 6.76 1m5hG1 GLU 6246 H -0.10 0.59 0.32 -0.55 8.60 8.87 1m5hG1 GLU 6246 HA -0.15 0.29 1.13 -0.75 4.29 4.81 1m5hG1 GLU 6246 HB2 -0.78 -0.00 -0.05 -0.04 2.09 1.22 1m5hG1 GLU 6246 HB3 -0.40 -0.05 0.02 -0.04 1.99 1.53 1m5hG1 GLU 6246 HG2 -0.25 -0.08 -0.47 -0.04 2.34 1.51 1m5hG1 GLU 6246 HG3 -0.02 0.03 -0.07 -0.04 2.34 2.23 1m5hG1 ILE 6247 H -0.32 0.47 0.31 -0.55 8.25 8.16 1m5hG1 ILE 6247 HA -0.19 0.17 1.03 -0.75 4.18 4.44 1m5hG1 ILE 6247 HB -0.90 -0.05 0.16 -0.04 1.89 1.06 1m5hG1 ILE 6247 HG12 -0.18 0.14 -0.03 -0.04 1.49 1.38 1m5hG1 ILE 6247 HG13 -0.39 -0.11 -0.27 -0.04 1.21 0.39 1m5hG1 ILE 6247 HG23 -0.08 0.04 -0.19 -0.04 0.93 0.66 1m5hG1 ILE 6247 HD13 -0.30 0.01 -0.07 -0.04 0.88 0.49 1m5hG1 VAL 6248 H -0.13 0.14 0.11 -0.55 8.24 7.82 1m5hG1 VAL 6248 HA -0.01 0.34 0.94 -0.75 4.13 4.64 1m5hG1 VAL 6248 HB 0.01 -0.05 0.08 -0.04 2.12 2.12 1m5hG1 VAL 6248 HG13 0.13 -0.00 -0.10 -0.04 0.97 0.95 1m5hG1 VAL 6248 HG23 -0.22 -0.01 -0.08 -0.04 0.95 0.60 1m5hG1 ILE 6249 H 0.06 0.68 0.23 -0.55 8.25 8.67 1m5hG1 ILE 6249 HA 0.07 0.39 1.09 -0.75 4.18 4.98 1m5hG1 ILE 6249 HB 0.08 -0.17 -0.03 -0.04 1.89 1.73 1m5hG1 ILE 6249 HG12 0.08 0.11 -0.26 -0.04 1.49 1.38 1m5hG1 ILE 6249 HG13 0.05 -0.07 -0.76 -0.04 1.21 0.40 1m5hG1 ILE 6249 HG23 0.07 0.01 -0.21 -0.04 0.93 0.75 1m5hG1 ILE 6249 HD13 0.17 -0.02 -0.30 -0.04 0.88 0.68 1m5hG1 ASN 6250 H 0.07 0.63 0.34 -0.55 8.53 9.02 1m5hG1 ASN 6250 HA 0.05 0.18 1.07 -0.75 4.76 5.31 1m5hG1 ASN 6250 HB2 0.06 0.05 0.02 -0.04 2.88 2.96 1m5hG1 ASN 6250 HB3 0.05 0.02 -0.00 -0.04 2.79 2.82 1m5hG1 ASN 6250 HD21 0.06 -0.05 -0.08 -0.04 7.03 6.91 1m5hG1 ASN 6250 HD22 0.04 0.06 -0.14 -0.04 7.74 7.66 1m5hG1 GLY 6251 H 0.02 0.62 0.38 -0.55 8.43 8.90 1m5hG1 GLY 6251 HA2 0.03 0.23 0.66 -0.51 4.01 4.43 1m5hG1 GLY 6251 HA3 0.02 -0.00 0.34 -0.51 4.01 3.85 1m5hG1 LEU 6252 H 0.01 0.55 0.28 -0.55 8.37 8.66 1m5hG1 LEU 6252 HA 0.01 0.05 0.42 -0.75 4.35 4.08 1m5hG1 LEU 6252 HB2 -0.00 -0.03 0.10 -0.04 1.64 1.67 1m5hG1 LEU 6252 HB3 0.00 -0.01 0.06 -0.04 1.64 1.65 1m5hG1 LEU 6252 HG 0.01 0.18 0.12 -0.04 1.64 1.91 1m5hG1 LEU 6252 HD13 -0.01 -0.00 -0.00 -0.04 0.93 0.87 1m5hG1 LEU 6252 HD23 0.03 -0.01 -0.13 -0.04 0.89 0.73 1m5hG1 ASN 6253 H -0.01 0.17 -0.08 -0.55 8.53 8.07 1m5hG1 ASN 6253 HA -0.03 0.24 0.46 -0.75 4.76 4.68 1m5hG1 ASN 6253 HB2 -0.00 -0.11 0.17 -0.04 2.88 2.90 1m5hG1 ASN 6253 HB3 -0.00 0.26 -0.02 -0.04 2.79 2.99 1m5hG1 ASN 6253 HD21 -0.01 0.06 -0.08 -0.04 7.03 6.96 1m5hG1 ASN 6253 HD22 -0.00 0.12 -0.19 -0.04 7.74 7.62 1m5hG1 ALA 6254 H -0.00 0.24 0.12 -0.55 8.40 8.21 1m5hG1 ALA 6254 HA -0.01 0.10 0.35 -0.75 4.34 4.02 1m5hG1 ALA 6254 HB3 0.03 0.04 0.07 -0.04 1.41 1.51 1m5hG1 ASP 6255 H -0.00 0.10 -0.11 -0.55 8.40 7.84 1m5hG1 ASP 6255 HA -0.01 0.12 0.36 -0.75 4.63 4.35 1m5hG1 ASP 6255 HB2 -0.00 -0.03 0.01 -0.04 2.71 2.65 1m5hG1 ASP 6255 HB3 -0.01 0.09 -0.01 -0.04 2.70 2.72 1m5hG1 ALA 6256 H -0.00 0.06 -0.32 -0.55 8.40 7.59 1m5hG1 ALA 6256 HA 0.00 0.12 0.36 -0.75 4.34 4.07 1m5hG1 ALA 6256 HB3 0.01 0.03 -0.01 -0.04 1.41 1.40 1m5hG1 ILE 6257 H 0.01 0.33 -0.18 -0.55 8.25 7.86 1m5hG1 ILE 6257 HA 0.04 0.07 0.25 -0.75 4.18 3.77 1m5hG1 ILE 6257 HB 0.01 0.09 0.05 -0.04 1.89 2.00 1m5hG1 ILE 6257 HG12 -0.01 0.33 0.02 -0.04 1.49 1.79 1m5hG1 ILE 6257 HG13 -0.02 -0.06 -0.15 -0.04 1.21 0.94 1m5hG1 ILE 6257 HG23 0.04 -0.00 -0.12 -0.04 0.93 0.81 1m5hG1 ILE 6257 HD13 0.02 0.01 -0.25 -0.04 0.88 0.62 1m5hG1 LYS 6258 H 0.00 0.58 -0.23 -0.55 8.42 8.22 1m5hG1 LYS 6258 HA -0.01 -0.01 0.37 -0.75 4.32 3.92 1m5hG1 LYS 6258 HB2 -0.02 0.10 0.12 -0.04 1.87 2.03 1m5hG1 LYS 6258 HB3 -0.05 0.01 -0.02 -0.04 1.79 1.69 1m5hG1 LYS 6258 HG2 -0.01 -0.07 -0.02 -0.04 1.46 1.32 1m5hG1 LYS 6258 HG3 0.00 0.16 0.03 -0.04 1.46 1.61 1m5hG1 LYS 6258 HD2 -0.01 -0.05 -0.11 -0.04 1.69 1.47 1m5hG1 LYS 6258 HD3 -0.03 0.04 -0.04 -0.04 1.68 1.60 1m5hG1 LYS 6258 HE2 -0.00 -0.02 0.02 -0.04 2.99 2.95 1m5hG1 LYS 6258 HE3 0.01 -0.05 -0.05 -0.04 2.99 2.85 1m5hG1 GLU 6259 H -0.01 0.50 -0.15 -0.55 8.60 8.40 1m5hG1 GLU 6259 HA -0.04 0.05 0.50 -0.75 4.29 4.05 1m5hG1 GLU 6259 HB2 -0.01 -0.03 0.09 -0.04 2.09 2.10 1m5hG1 GLU 6259 HB3 0.00 0.09 0.16 -0.04 1.99 2.19 1m5hG1 GLU 6259 HG2 0.01 0.03 -0.17 -0.04 2.34 2.17 1m5hG1 GLU 6259 HG3 0.00 -0.08 -0.05 -0.04 2.34 2.16 1m5hG1 ALA 6260 H 0.02 0.58 -0.19 -0.55 8.40 8.26 1m5hG1 ALA 6260 HA 0.06 0.04 0.39 -0.75 4.34 4.08 1m5hG1 ALA 6260 HB3 0.07 0.03 0.01 -0.04 1.41 1.48 1m5hG1 THR 6261 H 0.05 0.53 -0.15 -0.55 8.28 8.16 1m5hG1 THR 6261 HA 0.23 0.03 0.33 -0.75 4.39 4.22 1m5hG1 THR 6261 HB 0.00 0.08 0.08 -0.04 4.32 4.45 1m5hG1 THR 6261 HG23 0.07 -0.01 -0.13 -0.04 1.22 1.10 1m5hG1 ARG 6262 H -0.06 0.44 -0.24 -0.55 8.46 8.04 1m5hG1 ARG 6262 HA -0.18 0.01 0.37 -0.75 4.34 3.78 1m5hG1 ARG 6262 HB2 -0.24 0.10 0.18 -0.04 1.90 1.91 1m5hG1 ARG 6262 HB3 -0.10 0.05 0.20 -0.04 1.80 1.91 1m5hG1 ARG 6262 HG2 -0.11 -0.08 -0.13 -0.04 1.67 1.31 1m5hG1 ARG 6262 HG3 -0.70 0.09 0.06 -0.04 1.67 1.08 1m5hG1 ARG 6262 HD2 -0.19 0.07 0.08 -0.04 3.22 3.14 1m5hG1 ARG 6262 HD3 -0.22 -0.04 0.07 -0.04 3.22 2.99 1m5hG1 VAL 6263 H 0.00 0.70 -0.00 -0.55 8.24 8.39 1m5hG1 VAL 6263 HA 0.04 -0.01 0.37 -0.75 4.13 3.77 1m5hG1 VAL 6263 HB 0.04 0.09 0.06 -0.04 2.12 2.28 1m5hG1 VAL 6263 HG13 0.05 0.01 -0.21 -0.04 0.97 0.78 1m5hG1 VAL 6263 HG23 0.02 0.00 0.04 -0.04 0.95 0.96 1m5hG1 GLY 6264 H 0.08 0.50 -0.42 -0.55 8.43 8.04 1m5hG1 GLY 6264 HA2 0.16 0.02 0.43 -0.51 4.01 4.10 1m5hG1 GLY 6264 HA3 0.29 0.09 0.27 -0.51 4.01 4.16 1m5hG1 ILE 6265 H -0.22 0.63 -0.07 -0.55 8.25 8.04 1m5hG1 ILE 6265 HA -0.37 -0.01 0.41 -0.75 4.18 3.46 1m5hG1 ILE 6265 HB 0.16 0.11 0.12 -0.04 1.89 2.24 1m5hG1 ILE 6265 HG12 -1.25 -0.07 0.01 -0.04 1.49 0.13 1m5hG1 ILE 6265 HG13 -1.06 0.25 0.11 -0.04 1.21 0.47 1m5hG1 ILE 6265 HG23 -0.28 -0.02 -0.12 -0.04 0.93 0.47 1m5hG1 ILE 6265 HD13 -0.06 -0.03 -0.06 -0.04 0.88 0.69 1m5hG1 LEU 6266 H 0.07 0.57 -0.19 -0.55 8.37 8.27 1m5hG1 LEU 6266 HA -0.01 -0.02 0.32 -0.75 4.35 3.89 1m5hG1 LEU 6266 HB2 0.06 0.13 0.10 -0.04 1.64 1.89 1m5hG1 LEU 6266 HB3 0.05 -0.06 -0.04 -0.04 1.64 1.55 1m5hG1 LEU 6266 HG 0.28 0.22 0.02 -0.04 1.64 2.11 1m5hG1 LEU 6266 HD13 0.08 -0.03 -0.07 -0.04 0.93 0.87 1m5hG1 LEU 6266 HD23 0.13 -0.03 -0.03 -0.04 0.89 0.93 1m5hG1 ALA 6267 H 0.04 0.47 -0.25 -0.55 8.40 8.12 1m5hG1 ALA 6267 HA 0.03 0.01 0.38 -0.75 4.34 4.01 1m5hG1 ALA 6267 HB3 0.06 0.00 -0.02 -0.04 1.41 1.42 1m5hG1 ALA 6268 H 0.06 0.52 -0.13 -0.55 8.40 8.31 1m5hG1 ALA 6268 HA 0.08 0.04 0.50 -0.75 4.34 4.20 1m5hG1 ALA 6268 HB3 0.16 -0.01 0.05 -0.04 1.41 1.57 1m5hG1 THR 6269 H -0.01 0.57 -0.14 -0.55 8.28 8.16 1m5hG1 THR 6269 HA 0.00 -0.01 0.34 -0.75 4.39 3.97 1m5hG1 THR 6269 HB -0.05 0.06 0.14 -0.04 4.32 4.43 1m5hG1 THR 6269 HG23 -0.09 -0.01 -0.01 -0.04 1.22 1.07 1m5hG1 LYS 6270 H 0.02 0.28 -0.95 -0.55 8.42 7.21 1m5hG1 LYS 6270 HA 0.00 0.13 0.76 -0.75 4.32 4.45 1m5hG1 LYS 6270 HB2 0.02 0.19 0.07 -0.04 1.87 2.10 1m5hG1 LYS 6270 HB3 0.01 -0.12 0.10 -0.04 1.79 1.74 1m5hG1 LYS 6270 HG2 0.00 -0.05 -0.08 -0.04 1.46 1.29 1m5hG1 LYS 6270 HG3 0.01 0.29 -0.03 -0.04 1.46 1.69 1m5hG1 LYS 6270 HD2 0.01 -0.01 0.01 -0.04 1.69 1.67 1m5hG1 LYS 6270 HD3 0.01 -0.09 0.01 -0.04 1.68 1.57 1m5hG1 LYS 6270 HE2 0.01 0.10 -0.10 -0.04 2.99 2.96 1m5hG1 LYS 6270 HE3 0.01 -0.09 -0.04 -0.04 2.99 2.84 1m5hG1 ILE 6271 H 0.02 0.47 0.00 -0.55 8.25 8.20 1m5hG1 ILE 6271 HA 0.02 0.12 0.69 -0.75 4.18 4.25 1m5hG1 ILE 6271 HB 0.03 0.01 0.09 -0.04 1.89 1.98 1m5hG1 ILE 6271 HG12 0.03 0.17 0.13 -0.04 1.49 1.78 1m5hG1 ILE 6271 HG13 0.03 -0.05 -0.33 -0.04 1.21 0.82 1m5hG1 ILE 6271 HG23 0.02 -0.01 -0.08 -0.04 0.93 0.82 1m5hG1 ILE 6271 HD13 0.02 -0.01 -0.16 -0.04 0.88 0.68 1m5hG1 PRO 6272 HA 0.01 0.05 0.43 -0.51 4.44 4.43 1m5hG1 PRO 6272 HB2 0.01 -0.04 0.06 -0.04 2.28 2.27 1m5hG1 PRO 6272 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 1m5hG1 PRO 6272 HG2 0.01 -0.01 0.10 -0.04 2.03 2.09 1m5hG1 PRO 6272 HG3 0.01 0.10 0.09 -0.04 2.03 2.19 1m5hG1 PRO 6272 HD2 0.01 0.02 0.20 -0.04 3.68 3.88 1m5hG1 PRO 6272 HD3 0.01 0.28 0.33 -0.04 3.65 4.23 1m5hG1 GLY 6273 H 0.01 0.21 0.18 -0.55 8.43 8.28 1m5hG1 GLY 6273 HA2 0.02 0.01 0.35 -0.51 4.01 3.87 1m5hG1 GLY 6273 HA3 0.02 0.08 0.79 -0.51 4.01 4.40 1m5hG1 VAL 6274 H 0.02 0.37 -0.06 -0.55 8.24 8.02 1m5hG1 VAL 6274 HA 0.04 0.00 0.64 -0.75 4.13 4.07 1m5hG1 VAL 6274 HB 0.02 0.09 0.10 -0.04 2.12 2.29 1m5hG1 VAL 6274 HG13 0.05 -0.02 -0.19 -0.04 0.97 0.77 1m5hG1 VAL 6274 HG23 0.05 0.04 -0.11 -0.04 0.95 0.90 1m5hG1 VAL 6275 H 0.03 0.58 0.52 -0.55 8.24 8.83 1m5hG1 VAL 6275 HA 0.01 0.18 0.88 -0.75 4.13 4.44 1m5hG1 VAL 6275 HB 0.02 0.01 -0.06 -0.04 2.12 2.04 1m5hG1 VAL 6275 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.81 1m5hG1 VAL 6275 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 1m5hG1 LYS 6276 H 0.04 0.38 0.30 -0.55 8.42 8.58 1m5hG1 LYS 6276 HA 0.01 0.28 0.69 -0.75 4.32 4.55 1m5hG1 LYS 6276 HB2 0.02 0.10 -0.12 -0.04 1.87 1.83 1m5hG1 LYS 6276 HB3 0.04 -0.11 -0.06 -0.04 1.79 1.62 1m5hG1 LYS 6276 HG2 0.05 0.02 -0.29 -0.04 1.46 1.21 1m5hG1 LYS 6276 HG3 0.02 0.02 0.01 -0.04 1.46 1.47 1m5hG1 LYS 6276 HD2 0.02 -0.02 -0.06 -0.04 1.69 1.59 1m5hG1 LYS 6276 HD3 0.06 -0.02 -0.10 -0.04 1.68 1.57 1m5hG1 LYS 6276 HE2 0.03 0.02 -0.04 -0.04 2.99 2.96 1m5hG1 LYS 6276 HE3 0.04 -0.02 -0.07 -0.04 2.99 2.90 1m5hG1 ILE 6277 H 0.02 0.71 0.45 -0.55 8.25 8.88 1m5hG1 ILE 6277 HA 0.13 0.29 1.11 -0.75 4.18 4.95 1m5hG1 ILE 6277 HB -0.04 -0.03 0.18 -0.04 1.89 1.96 1m5hG1 ILE 6277 HG12 -0.00 -0.02 -0.23 -0.04 1.49 1.19 1m5hG1 ILE 6277 HG13 -0.07 0.02 -0.05 -0.04 1.21 1.07 1m5hG1 ILE 6277 HG23 0.02 0.01 0.02 -0.04 0.93 0.95 1m5hG1 ILE 6277 HD13 0.13 0.02 0.01 -0.04 0.88 0.99 1m5hG1 THR 6278 H 0.14 0.47 0.35 -0.55 8.28 8.70 1m5hG1 THR 6278 HA -0.01 0.15 0.61 -0.75 4.39 4.38 1m5hG1 THR 6278 HB 0.05 0.08 -0.16 -0.04 4.32 4.24 1m5hG1 THR 6278 HG23 0.01 0.02 -0.13 -0.04 1.22 1.08 1m5hG1 ALA 6279 H -0.29 0.29 0.18 -0.55 8.40 8.02 1m5hG1 ALA 6279 HA -0.56 -0.00 0.63 -0.75 4.34 3.66 1m5hG1 ALA 6279 HB3 -0.14 0.03 -0.21 -0.04 1.41 1.06 1m5hG1 GLY 6280 H -0.44 0.16 0.06 -0.55 8.43 7.66 1m5hG1 GLY 6280 HA2 -0.59 0.18 0.95 -0.51 4.01 4.04 1m5hG1 GLY 6280 HA3 -0.32 0.02 0.31 -0.51 4.01 3.50 1m5hG1 ASN 6281 H -0.42 0.25 0.26 -0.55 8.53 8.07 1m5hG1 ASN 6281 HA -0.13 0.16 0.79 -0.75 4.76 4.83 1m5hG1 ASN 6281 HB2 -0.27 -0.19 0.06 -0.04 2.88 2.43 1m5hG1 ASN 6281 HB3 -0.65 0.27 -0.22 -0.04 2.79 2.15 1m5hG1 ASN 6281 HD21 -0.63 -0.02 0.01 -0.04 7.03 6.35 1m5hG1 ASN 6281 HD22 -1.17 0.43 0.02 -0.04 7.74 6.98 1m5hG1 TYR 6282 H 0.20 0.14 0.08 -0.55 8.29 8.17 1m5hG1 TYR 6282 HA 0.03 0.26 0.88 -0.75 4.56 4.97 1m5hG1 TYR 6282 HB2 0.10 0.03 0.03 -0.04 3.06 3.18 1m5hG1 TYR 6282 HB3 0.09 0.02 0.15 -0.04 2.98 3.19 1m5hG1 TYR 6282 HD2 0.08 -0.02 -0.03 -0.04 7.15 7.14 1m5hG1 TYR 6282 HE2 0.15 0.04 -0.03 -0.04 6.85 6.97 1m5hG1 GLY 6283 H 0.04 0.11 -0.10 -0.55 8.43 7.95 1m5hG1 GLY 6283 HA2 0.15 0.06 0.33 -0.51 4.01 4.04 1m5hG1 GLY 6283 HA3 0.12 0.16 0.50 -0.51 4.01 4.27 1m5hG1 GLY 6284 H 0.20 0.11 -0.50 -0.55 8.43 7.70 1m5hG1 GLY 6284 HA2 0.09 -0.01 0.25 -0.51 4.01 3.83 1m5hG1 GLY 6284 HA3 0.07 0.20 0.75 -0.51 4.01 4.51 1m5hG1 LYS 6285 H 0.09 0.12 -0.05 -0.55 8.42 8.02 1m5hG1 LYS 6285 HA 0.03 0.17 0.47 -0.75 4.32 4.24 1m5hG1 LYS 6285 HB2 0.05 -0.11 0.19 -0.04 1.87 1.96 1m5hG1 LYS 6285 HB3 0.05 0.03 0.09 -0.04 1.79 1.91 1m5hG1 LYS 6285 HG2 0.11 -0.02 -0.18 -0.04 1.46 1.33 1m5hG1 LYS 6285 HG3 0.07 0.00 0.02 -0.04 1.46 1.52 1m5hG1 LYS 6285 HD2 0.11 -0.20 0.08 -0.04 1.69 1.64 1m5hG1 LYS 6285 HD3 0.11 0.14 0.10 -0.04 1.68 1.99 1m5hG1 LYS 6285 HE2 0.06 0.00 0.01 -0.04 2.99 3.02 1m5hG1 LYS 6285 HE3 0.05 -0.02 -0.01 -0.04 2.99 2.98 1m5hG1 LEU 6286 H 0.06 0.11 0.09 -0.55 8.37 8.08 1m5hG1 LEU 6286 HA 0.12 -0.01 0.41 -0.75 4.35 4.12 1m5hG1 LEU 6286 HB2 0.08 0.11 -0.20 -0.04 1.64 1.60 1m5hG1 LEU 6286 HB3 0.33 0.00 0.01 -0.04 1.64 1.94 1m5hG1 LEU 6286 HG 0.06 -0.04 -0.06 -0.04 1.64 1.56 1m5hG1 LEU 6286 HD13 -0.11 0.01 -0.03 -0.04 0.93 0.75 1m5hG1 LEU 6286 HD23 -0.02 0.00 0.02 -0.04 0.89 0.85 1m5hG1 GLY 6287 H -0.10 0.34 0.24 -0.55 8.43 8.37 1m5hG1 GLY 6287 HA2 -0.51 -0.01 0.41 -0.51 4.01 3.39 1m5hG1 GLY 6287 HA3 -0.64 0.03 0.20 -0.51 4.01 3.08 1m5hG1 LYS 6288 H -0.19 0.19 0.31 -0.55 8.42 8.18 1m5hG1 LYS 6288 HA -0.16 0.23 0.83 -0.75 4.32 4.47 1m5hG1 LYS 6288 HB2 -0.12 0.04 -0.08 -0.04 1.87 1.66 1m5hG1 LYS 6288 HB3 -0.49 -0.06 0.06 -0.04 1.79 1.26 1m5hG1 LYS 6288 HG2 -0.39 -0.03 -0.07 -0.04 1.46 0.93 1m5hG1 LYS 6288 HG3 -0.16 0.04 0.07 -0.04 1.46 1.37 1m5hG1 LYS 6288 HD2 -0.11 -0.01 -0.00 -0.04 1.69 1.53 1m5hG1 LYS 6288 HD3 -0.08 0.00 -0.00 -0.04 1.68 1.56 1m5hG1 LYS 6288 HE2 -0.28 -0.03 -0.04 -0.04 2.99 2.60 1m5hG1 LYS 6288 HE3 -0.35 -0.01 -0.06 -0.04 2.99 2.53 1m5hG1 HIS 6289 H -0.03 0.26 0.22 -0.55 8.41 8.30 1m5hG1 HIS 6289 HA -0.04 0.17 0.89 -0.75 4.63 4.89 1m5hG1 HIS 6289 HB2 -0.02 -0.06 -0.00 -0.04 3.26 3.14 1m5hG1 HIS 6289 HB3 -0.01 0.01 -0.04 -0.04 3.20 3.12 1m5hG1 HIS 6289 HD2 -0.01 0.03 -0.22 -0.04 6.97 6.72 1m5hG1 HIS 6289 HE1 0.02 0.03 -0.07 -0.04 7.75 7.68 1m5hG1 ILE 6290 H -0.01 0.23 0.18 -0.55 8.25 8.10 1m5hG1 ILE 6290 HA 0.08 0.28 1.00 -0.75 4.18 4.79 1m5hG1 ILE 6290 HB -0.13 -0.01 0.06 -0.04 1.89 1.77 1m5hG1 ILE 6290 HG12 -0.06 0.01 -0.19 -0.04 1.49 1.21 1m5hG1 ILE 6290 HG13 -0.11 0.04 -0.29 -0.04 1.21 0.80 1m5hG1 ILE 6290 HG23 -0.24 -0.00 -0.20 -0.04 0.93 0.45 1m5hG1 ILE 6290 HD13 -0.39 0.01 -0.09 -0.04 0.88 0.38 1m5hG1 ILE 6291 H 0.15 0.61 0.21 -0.55 8.25 8.67 1m5hG1 ILE 6291 HA 0.03 0.18 0.90 -0.75 4.18 4.54 1m5hG1 ILE 6291 HB 0.08 -0.09 0.20 -0.04 1.89 2.04 1m5hG1 ILE 6291 HG12 0.05 0.00 -0.14 -0.04 1.49 1.36 1m5hG1 ILE 6291 HG13 0.05 0.08 -0.32 -0.04 1.21 0.98 1m5hG1 ILE 6291 HG23 0.03 0.02 -0.16 -0.04 0.93 0.77 1m5hG1 ILE 6291 HD13 0.07 -0.04 -0.26 -0.04 0.88 0.62 1m5hG1 ASN 6292 H 0.02 0.21 0.02 -0.55 8.53 8.24 1m5hG1 ASN 6292 HA 0.14 0.19 0.73 -0.75 4.76 5.06 1m5hG1 ASN 6292 HB2 0.01 -0.00 0.15 -0.04 2.88 2.99 1m5hG1 ASN 6292 HB3 0.04 -0.01 0.01 -0.04 2.79 2.79 1m5hG1 ASN 6292 HD21 -0.12 0.04 -0.07 -0.04 7.03 6.84 1m5hG1 ASN 6292 HD22 -0.04 0.01 -0.01 -0.04 7.74 7.66 1m5hG1 LEU 6293 H 0.09 0.56 0.36 -0.55 8.37 8.84 1m5hG1 LEU 6293 HA 0.06 0.04 0.30 -0.75 4.35 3.99 1m5hG1 LEU 6293 HB2 0.08 0.06 0.15 -0.04 1.64 1.89 1m5hG1 LEU 6293 HB3 0.18 0.03 -0.03 -0.04 1.64 1.77 1m5hG1 LEU 6293 HG 0.09 0.00 -0.02 -0.04 1.64 1.68 1m5hG1 LEU 6293 HD13 0.05 0.02 -0.05 -0.04 0.93 0.90 1m5hG1 LEU 6293 HD23 0.04 0.04 -0.14 -0.04 0.89 0.78 1m5hG1 ASN 6294 H 0.07 0.05 -0.48 -0.55 8.53 7.62 1m5hG1 ASN 6294 HA 0.08 0.09 0.29 -0.75 4.76 4.46 1m5hG1 ASN 6294 HB2 0.05 -0.05 -0.02 -0.04 2.88 2.83 1m5hG1 ASN 6294 HB3 0.03 0.01 -0.08 -0.04 2.79 2.71 1m5hG1 ASN 6294 HD21 0.02 0.01 -0.02 -0.04 7.03 7.00 1m5hG1 ASN 6294 HD22 0.02 -0.02 -0.09 -0.04 7.74 7.61 1m5hG1 GLU 6295 H 0.00 0.32 -0.23 -0.55 8.60 8.14 1m5hG1 GLU 6295 HA -0.01 0.20 0.68 -0.75 4.29 4.40 1m5hG1 GLU 6295 HB2 -0.03 0.02 0.05 -0.04 2.09 2.08 1m5hG1 GLU 6295 HB3 -0.03 -0.01 0.15 -0.04 1.99 2.06 1m5hG1 GLU 6295 HG2 -0.01 0.04 -0.05 -0.04 2.34 2.28 1m5hG1 GLU 6295 HG3 -0.00 -0.12 -0.07 -0.04 2.34 2.11 1m5hG1 LEU 6296 H -0.10 0.49 -0.38 -0.55 8.37 7.83 1m5hG1 LEU 6296 HA -0.28 0.14 0.77 -0.75 4.35 4.22 1m5hG1 LEU 6296 HB2 -0.94 0.11 -0.01 -0.04 1.64 0.75 1m5hG1 LEU 6296 HB3 -0.72 -0.06 0.08 -0.04 1.64 0.90 1m5hG1 LEU 6296 HG -0.12 0.11 -0.10 -0.04 1.64 1.48 1m5hG1 LEU 6296 HD13 -0.11 -0.03 -0.12 -0.04 0.93 0.63 1m5hG1 LEU 6296 HD23 -0.13 0.01 -0.15 -0.04 0.89 0.58 1m5hG1 PHE 6297 H -0.00 0.29 -0.20 -0.55 8.34 7.88 1m5hG1 PHE 6297 HA -0.02 0.22 0.64 -0.75 4.62 4.71 1m5hG1 PHE 6297 HB2 -0.02 0.04 -0.03 -0.04 3.15 3.10 1m5hG1 PHE 6297 HB3 -0.02 -0.01 0.01 -0.04 3.06 3.00 1m5hG1 PHE 6297 HD2 -0.03 0.05 -0.09 -0.04 7.28 7.17 1m5hG1 PHE 6297 HE2 -0.07 0.01 -0.06 -0.04 7.38 7.21 1m5hG1 PHE 6297 HZ -0.16 0.00 -0.05 -0.04 7.32 7.07