============================================================================= 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 52.811 80.421 61.724 -99.200 -91.000 PHE 16 1.000 44.078 87.462 58.447 -99.200 -91.000 TYR 28 0.840 20.667 75.372 25.561 -99.200 -91.000 TYR 30 0.840 30.356 69.869 32.319 -99.200 -91.000 TYR 31 0.840 31.015 78.775 25.654 -99.200 -91.000 TRP 32 1.040 25.958 77.933 25.805 -99.200 -91.000 TRP6 32 1.020 26.455 80.133 25.098 -99.200 -91.000 TRP 34 1.040 34.468 78.849 32.275 -99.200 -91.000 TRP6 34 1.020 34.893 80.574 30.710 -99.200 -91.000 PHE 43 1.000 36.103 95.131 40.574 -99.200 -91.000 TYR 72 0.840 32.172 74.591 35.292 -99.200 -91.000 TYR 73 0.840 27.929 72.351 43.223 -99.200 -91.000 HIS 78 0.900 31.431 91.937 52.118 -99.200 -91.000 PHE 105 1.000 18.596 74.451 40.194 -99.200 -91.000 PHE 119 1.000 9.952 86.595 48.541 -99.200 -91.000 PHE 123 1.000 9.516 90.931 45.056 -99.200 -91.000 PHE 124 1.000 14.538 91.522 35.088 -99.200 -91.000 TYR 128 0.840 3.395 89.256 33.064 -99.200 -91.000 TRP 140 1.040 10.426 82.195 43.757 -99.200 -91.000 TRP6 140 1.020 8.141 82.730 44.037 -99.200 -91.000 PHE 149 1.000 17.794 83.135 36.522 -99.200 -91.000 TYR 157 0.840 24.907 83.570 55.585 -99.200 -91.000 PHE 166 1.000 51.032 76.323 47.564 -99.200 -91.000 PHE 167 1.000 54.471 83.625 50.476 -99.200 -91.000 PHE 197 1.000 45.164 87.504 44.719 -99.200 -91.000 TYR 213 0.840 55.053 105.806 48.994 -99.200 -91.000 PHE 215 1.000 49.741 107.355 50.209 -99.200 -91.000 PHE 224 1.000 58.676 86.196 51.839 -99.200 -91.000 TYR 245 0.840 54.674 83.874 39.368 -99.200 -91.000 TYR 282 0.840 49.943 88.558 57.255 -99.200 -91.000 HIS 289 0.900 40.173 80.014 60.962 -99.200 -91.000 PHE 297 1.000 53.541 68.664 52.222 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1m5hB1 MET 1001 HA -0.02 -0.10 0.24 -0.75 4.52 3.90 1m5hB1 MET 1001 HB2 0.01 -0.05 0.06 -0.04 2.15 2.13 1m5hB1 MET 1001 HB3 -0.01 0.13 0.09 -0.04 2.03 2.20 1m5hB1 MET 1001 HG2 -0.07 -0.01 -0.33 -0.04 2.63 2.18 1m5hB1 MET 1001 HG3 0.00 -0.01 -0.02 -0.04 2.56 2.49 1m5hB1 MET 1001 HE3 0.09 0.02 0.05 -0.04 2.10 2.22 1m5hB1 LYS 1002 H -0.05 0.15 0.14 -0.55 8.42 8.11 1m5hB1 LYS 1002 HA -0.09 0.25 1.02 -0.75 4.32 4.74 1m5hB1 LYS 1002 HB2 -0.04 -0.08 -0.03 -0.04 1.87 1.68 1m5hB1 LYS 1002 HB3 -0.06 -0.05 -0.26 -0.04 1.79 1.38 1m5hB1 LYS 1002 HG2 -0.04 0.04 -0.27 -0.04 1.46 1.15 1m5hB1 LYS 1002 HG3 -0.03 -0.01 -0.40 -0.04 1.46 0.97 1m5hB1 LYS 1002 HD2 -0.02 -0.06 -0.11 -0.04 1.69 1.45 1m5hB1 LYS 1002 HD3 -0.03 0.09 -0.21 -0.04 1.68 1.49 1m5hB1 LYS 1002 HE2 -0.02 0.01 -0.09 -0.04 2.99 2.86 1m5hB1 LYS 1002 HE3 -0.02 -0.00 -0.09 -0.04 2.99 2.84 1m5hB1 VAL 1003 H -0.15 0.91 0.23 -0.55 8.24 8.68 1m5hB1 VAL 1003 HA -0.18 0.11 0.91 -0.75 4.13 4.21 1m5hB1 VAL 1003 HB -0.36 0.04 0.03 -0.04 2.12 1.78 1m5hB1 VAL 1003 HG13 -0.29 0.01 -0.18 -0.04 0.97 0.46 1m5hB1 VAL 1003 HG23 -1.01 -0.01 -0.22 -0.04 0.95 -0.33 1m5hB1 ASN 1004 H -0.07 0.16 0.10 -0.55 8.53 8.17 1m5hB1 ASN 1004 HA -0.04 0.01 0.31 -0.75 4.76 4.29 1m5hB1 ASN 1004 HB2 -0.06 0.17 -0.23 -0.04 2.88 2.71 1m5hB1 ASN 1004 HB3 -0.03 0.09 0.18 -0.04 2.79 2.99 1m5hB1 ASN 1004 HD21 -0.01 -0.05 -0.03 -0.04 7.03 6.91 1m5hB1 ASN 1004 HD22 -0.03 0.16 -0.10 -0.04 7.74 7.73 1m5hB1 GLY 1005 H -0.05 0.01 -0.54 -0.55 8.43 7.29 1m5hB1 GLY 1005 HA2 -0.03 -0.05 0.21 -0.51 4.01 3.63 1m5hB1 GLY 1005 HA3 -0.03 0.18 0.63 -0.51 4.01 4.29 1m5hB1 VAL 1006 H -0.06 0.57 -0.35 -0.55 8.24 7.85 1m5hB1 VAL 1006 HA -0.03 0.17 0.78 -0.75 4.13 4.29 1m5hB1 VAL 1006 HB -0.07 0.03 0.02 -0.04 2.12 2.06 1m5hB1 VAL 1006 HG13 -0.02 0.03 -0.26 -0.04 0.97 0.68 1m5hB1 VAL 1006 HG23 -0.02 0.03 -0.06 -0.04 0.95 0.87 1m5hB1 GLU 1007 H -0.03 0.25 0.17 -0.55 8.60 8.44 1m5hB1 GLU 1007 HA -0.05 0.16 0.73 -0.75 4.29 4.38 1m5hB1 GLU 1007 HB2 -0.02 -0.01 0.13 -0.04 2.09 2.15 1m5hB1 GLU 1007 HB3 -0.01 0.01 0.22 -0.04 1.99 2.16 1m5hB1 GLU 1007 HG2 -0.03 0.21 -0.01 -0.04 2.34 2.48 1m5hB1 GLU 1007 HG3 -0.02 -0.02 0.00 -0.04 2.34 2.26 1m5hB1 VAL 1008 H -0.07 0.79 0.37 -0.55 8.24 8.78 1m5hB1 VAL 1008 HA -0.04 0.14 1.01 -0.75 4.13 4.48 1m5hB1 VAL 1008 HB -0.12 0.00 -0.07 -0.04 2.12 1.89 1m5hB1 VAL 1008 HG13 -0.04 0.01 -0.16 -0.04 0.97 0.74 1m5hB1 VAL 1008 HG23 -0.28 0.00 -0.19 -0.04 0.95 0.44 1m5hB1 GLU 1009 H -0.00 0.68 0.37 -0.55 8.60 9.10 1m5hB1 GLU 1009 HA -0.01 0.09 0.56 -0.75 4.29 4.19 1m5hB1 GLU 1009 HB2 0.00 0.06 0.13 -0.04 2.09 2.24 1m5hB1 GLU 1009 HB3 -0.01 -0.11 0.25 -0.04 1.99 2.08 1m5hB1 GLU 1009 HG2 -0.02 -0.07 -0.34 -0.04 2.34 1.87 1m5hB1 GLU 1009 HG3 -0.01 0.03 0.01 -0.04 2.34 2.33 1m5hB1 GLU 1010 H 0.01 0.19 0.16 -0.55 8.60 8.40 1m5hB1 GLU 1010 HA 0.04 0.07 0.58 -0.75 4.29 4.22 1m5hB1 GLU 1010 HB2 0.02 -0.01 0.25 -0.04 2.09 2.31 1m5hB1 GLU 1010 HB3 0.04 -0.05 0.17 -0.04 1.99 2.11 1m5hB1 GLU 1010 HG2 0.03 0.01 -0.01 -0.04 2.34 2.33 1m5hB1 GLU 1010 HG3 0.01 0.11 0.13 -0.04 2.34 2.56 1m5hB1 THR 1011 H 0.01 0.50 0.04 -0.55 8.28 8.28 1m5hB1 THR 1011 HA 0.02 0.20 0.79 -0.75 4.39 4.64 1m5hB1 THR 1011 HB -0.10 0.04 -0.12 -0.04 4.32 4.11 1m5hB1 THR 1011 HG23 -0.12 0.04 -0.08 -0.04 1.22 1.02 1m5hB1 PHE 1012 H -0.57 0.21 0.12 -0.55 8.34 7.54 1m5hB1 PHE 1012 HA -0.03 0.24 0.97 -0.75 4.62 5.04 1m5hB1 PHE 1012 HB2 -0.03 0.01 -0.20 -0.04 3.15 2.89 1m5hB1 PHE 1012 HB3 -0.02 -0.02 -0.33 -0.04 3.06 2.65 1m5hB1 PHE 1012 HD2 -0.03 0.08 -0.41 -0.04 7.28 6.88 1m5hB1 PHE 1012 HE2 -0.01 -0.06 -0.10 -0.04 7.38 7.16 1m5hB1 PHE 1012 HZ -0.01 -0.01 -0.19 -0.04 7.32 7.07 1m5hB1 ALA 1013 H 0.15 0.49 0.33 -0.55 8.40 8.82 1m5hB1 ALA 1013 HA -0.07 0.26 0.73 -0.75 4.34 4.51 1m5hB1 ALA 1013 HB3 0.03 0.06 0.20 -0.04 1.41 1.65 1m5hB1 GLU 1014 H 0.05 0.56 0.34 -0.55 8.60 9.00 1m5hB1 GLU 1014 HA 0.05 0.24 0.97 -0.75 4.29 4.80 1m5hB1 GLU 1014 HB2 0.26 -0.10 0.05 -0.04 2.09 2.27 1m5hB1 GLU 1014 HB3 0.25 -0.01 0.28 -0.04 1.99 2.46 1m5hB1 GLU 1014 HG2 -0.21 0.04 -0.07 -0.04 2.34 2.06 1m5hB1 GLU 1014 HG3 -0.03 0.26 -0.04 -0.04 2.34 2.50 1m5hB1 ALA 1015 H -0.08 0.72 0.20 -0.55 8.40 8.70 1m5hB1 ALA 1015 HA -0.15 0.20 0.89 -0.75 4.34 4.53 1m5hB1 ALA 1015 HB3 -0.01 0.04 -0.16 -0.04 1.41 1.24 1m5hB1 PHE 1016 H 0.11 0.79 0.38 -0.55 8.34 9.07 1m5hB1 PHE 1016 HA 0.14 0.05 1.06 -0.75 4.62 5.11 1m5hB1 PHE 1016 HB2 0.02 -0.00 -0.00 -0.04 3.15 3.13 1m5hB1 PHE 1016 HB3 0.03 0.05 0.11 -0.04 3.06 3.21 1m5hB1 PHE 1016 HD2 0.02 0.03 -0.06 -0.04 7.28 7.22 1m5hB1 PHE 1016 HE2 -0.07 -0.02 -0.40 -0.04 7.38 6.85 1m5hB1 PHE 1016 HZ -0.35 -0.08 -0.11 -0.04 7.32 6.74 1m5hB1 ASP 1017 H 0.28 0.12 0.22 -0.55 8.40 8.47 1m5hB1 ASP 1017 HA 0.07 0.27 0.79 -0.75 4.63 5.00 1m5hB1 ASP 1017 HB2 0.14 -0.02 0.16 -0.04 2.71 2.95 1m5hB1 ASP 1017 HB3 0.12 0.05 0.07 -0.04 2.70 2.90 1m5hB1 ILE 1018 H 0.05 0.62 0.22 -0.55 8.25 8.59 1m5hB1 ILE 1018 HA 0.05 0.11 0.58 -0.75 4.18 4.16 1m5hB1 ILE 1018 HB 0.05 0.01 -0.44 -0.04 1.89 1.47 1m5hB1 ILE 1018 HG12 0.03 0.18 -0.12 -0.04 1.49 1.54 1m5hB1 ILE 1018 HG13 -0.00 -0.05 -0.32 -0.04 1.21 0.80 1m5hB1 ILE 1018 HG23 0.03 -0.00 -0.52 -0.04 0.93 0.40 1m5hB1 ILE 1018 HD13 -0.00 -0.01 -0.26 -0.04 0.88 0.57 1m5hB1 LYS 1019 H 0.06 0.57 0.25 -0.55 8.42 8.75 1m5hB1 LYS 1019 HA 0.11 0.16 0.83 -0.75 4.32 4.68 1m5hB1 LYS 1019 HB2 0.07 0.21 0.10 -0.04 1.87 2.20 1m5hB1 LYS 1019 HB3 0.07 -0.04 -0.05 -0.04 1.79 1.73 1m5hB1 LYS 1019 HG2 0.08 0.05 -0.10 -0.04 1.46 1.45 1m5hB1 LYS 1019 HG3 0.05 -0.15 -0.35 -0.04 1.46 0.97 1m5hB1 LYS 1019 HD2 0.31 -0.01 -0.12 -0.04 1.69 1.82 1m5hB1 LYS 1019 HD3 0.17 0.06 -0.08 -0.04 1.68 1.78 1m5hB1 LYS 1019 HE2 0.13 -0.11 -0.06 -0.04 2.99 2.91 1m5hB1 LYS 1019 HE3 0.21 -0.00 -0.07 -0.04 2.99 3.08 1m5hB1 ILE 1020 H 0.13 0.62 0.36 -0.55 8.25 8.82 1m5hB1 ILE 1020 HA 0.07 0.30 1.06 -0.75 4.18 4.86 1m5hB1 ILE 1020 HB 0.06 -0.05 -0.04 -0.04 1.89 1.82 1m5hB1 ILE 1020 HG12 0.05 0.07 -0.28 -0.04 1.49 1.28 1m5hB1 ILE 1020 HG13 0.05 -0.07 -0.74 -0.04 1.21 0.41 1m5hB1 ILE 1020 HG23 0.06 -0.00 -0.30 -0.04 0.93 0.64 1m5hB1 ILE 1020 HD13 0.03 0.02 -0.26 -0.04 0.88 0.62 1m5hB1 ALA 1021 H 0.07 0.71 0.35 -0.55 8.40 8.98 1m5hB1 ALA 1021 HA 0.15 0.20 1.01 -0.75 4.34 4.94 1m5hB1 ALA 1021 HB3 0.08 -0.01 0.01 -0.04 1.41 1.45 1m5hB1 ARG 1022 H 0.11 0.40 0.25 -0.55 8.46 8.66 1m5hB1 ARG 1022 HA 0.11 0.37 1.09 -0.75 4.34 5.16 1m5hB1 ARG 1022 HB2 0.07 -0.03 -0.13 -0.04 1.90 1.77 1m5hB1 ARG 1022 HB3 0.09 -0.10 -0.11 -0.04 1.80 1.64 1m5hB1 ARG 1022 HG2 0.18 -0.04 -0.14 -0.04 1.67 1.63 1m5hB1 ARG 1022 HG3 0.11 0.08 -0.04 -0.04 1.67 1.79 1m5hB1 ARG 1022 HD2 0.01 -0.08 -0.08 -0.04 3.22 3.03 1m5hB1 ARG 1022 HD3 -0.03 0.17 -0.05 -0.04 3.22 3.27 1m5hB1 VAL 1023 H 0.14 0.71 0.35 -0.55 8.24 8.89 1m5hB1 VAL 1023 HA 0.14 0.04 1.16 -0.75 4.13 4.72 1m5hB1 VAL 1023 HB 0.08 0.02 0.01 -0.04 2.12 2.19 1m5hB1 VAL 1023 HG13 0.07 0.03 -0.13 -0.04 0.97 0.90 1m5hB1 VAL 1023 HG23 0.08 -0.01 -0.24 -0.04 0.95 0.73 1m5hB1 LEU 1024 H 0.14 0.57 0.30 -0.55 8.37 8.83 1m5hB1 LEU 1024 HA -0.11 0.23 0.97 -0.75 4.35 4.68 1m5hB1 LEU 1024 HB2 -0.11 0.02 -0.08 -0.04 1.64 1.43 1m5hB1 LEU 1024 HB3 0.16 -0.07 -0.00 -0.04 1.64 1.68 1m5hB1 LEU 1024 HG 0.06 -0.01 -0.40 -0.04 1.64 1.25 1m5hB1 LEU 1024 HD13 -0.75 0.03 -0.21 -0.04 0.93 -0.04 1m5hB1 LEU 1024 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.73 1m5hB1 ILE 1025 H 0.01 0.62 0.33 -0.55 8.25 8.66 1m5hB1 ILE 1025 HA 0.06 0.28 1.11 -0.75 4.18 4.87 1m5hB1 ILE 1025 HB 0.10 -0.02 0.19 -0.04 1.89 2.12 1m5hB1 ILE 1025 HG12 0.05 0.03 -0.11 -0.04 1.49 1.42 1m5hB1 ILE 1025 HG13 0.05 -0.08 -0.37 -0.04 1.21 0.78 1m5hB1 ILE 1025 HG23 0.08 -0.01 -0.07 -0.04 0.93 0.89 1m5hB1 ILE 1025 HD13 0.01 -0.01 -0.17 -0.04 0.88 0.68 1m5hB1 THR 1026 H 0.09 0.54 0.35 -0.55 8.28 8.71 1m5hB1 THR 1026 HA 0.10 0.20 1.14 -0.75 4.39 5.08 1m5hB1 THR 1026 HB 0.11 0.19 -0.06 -0.04 4.32 4.51 1m5hB1 THR 1026 HG23 0.16 -0.05 -0.29 -0.04 1.22 1.00 1m5hB1 GLY 1027 H 0.12 0.54 0.12 -0.55 8.43 8.66 1m5hB1 GLY 1027 HA2 0.14 0.40 0.36 -0.51 4.01 4.39 1m5hB1 GLY 1027 HA3 0.20 -0.09 0.18 -0.51 4.01 3.78 1m5hB1 TYR 1028 H 0.26 0.12 0.09 -0.55 8.29 8.21 1m5hB1 TYR 1028 HA 0.07 0.13 0.47 -0.75 4.56 4.47 1m5hB1 TYR 1028 HB2 0.36 -0.13 0.16 -0.04 3.06 3.41 1m5hB1 TYR 1028 HB3 0.21 -0.00 -0.03 -0.04 2.98 3.12 1m5hB1 TYR 1028 HD2 0.06 -0.00 0.00 -0.04 7.15 7.17 1m5hB1 TYR 1028 HE2 -0.04 0.03 0.01 -0.04 6.85 6.81 1m5hB1 ASP 1029 H 0.42 0.02 -0.04 -0.55 8.40 8.25 1m5hB1 ASP 1029 HA -0.03 0.27 0.62 -0.75 4.63 4.74 1m5hB1 ASP 1029 HB2 0.10 -0.10 0.18 -0.04 2.71 2.85 1m5hB1 ASP 1029 HB3 0.15 0.20 -0.09 -0.04 2.70 2.92 1m5hB1 TYR 1030 H -0.01 0.22 0.12 -0.55 8.29 8.07 1m5hB1 TYR 1030 HA 0.18 0.13 0.32 -0.75 4.56 4.43 1m5hB1 TYR 1030 HB2 0.11 -0.01 0.11 -0.04 3.06 3.24 1m5hB1 TYR 1030 HB3 0.23 0.07 0.00 -0.04 2.98 3.24 1m5hB1 TYR 1030 HD2 -0.13 0.02 0.03 -0.04 7.15 7.03 1m5hB1 TYR 1030 HE2 -0.11 0.07 0.05 -0.04 6.85 6.82 1m5hB1 TYR 1031 H 0.27 0.08 -0.17 -0.55 8.29 7.93 1m5hB1 TYR 1031 HA 0.08 0.13 0.36 -0.75 4.56 4.38 1m5hB1 TYR 1031 HB2 -0.14 0.04 0.07 -0.04 3.06 2.99 1m5hB1 TYR 1031 HB3 -0.30 -0.07 0.07 -0.04 2.98 2.64 1m5hB1 TYR 1031 HD2 -1.15 -0.02 -0.07 -0.04 7.15 5.87 1m5hB1 TYR 1031 HE2 -1.10 0.03 -0.05 -0.04 6.85 5.69 1m5hB1 TRP 1032 H 0.15 0.04 -0.17 -0.55 7.97 7.44 1m5hB1 TRP 1032 HA -0.13 0.09 0.40 -0.75 4.62 4.23 1m5hB1 TRP 1032 HB2 0.10 -0.17 0.08 -0.04 3.23 3.20 1m5hB1 TRP 1032 HB3 -0.01 0.26 0.01 -0.04 3.23 3.45 1m5hB1 TRP 1032 HD1 0.23 -0.09 0.02 -0.04 7.22 7.34 1m5hB1 TRP 1032 HE1 0.19 0.03 -0.01 -0.04 10.20 10.37 1m5hB1 TRP 1032 HE3 -0.03 0.04 0.06 -0.04 7.59 7.62 1m5hB1 TRP 1032 HZ2 0.13 0.01 -0.01 -0.04 7.44 7.53 1m5hB1 TRP 1032 HZ3 0.08 0.04 0.01 -0.04 7.13 7.22 1m5hB1 TRP 1032 HH2 0.16 0.02 -0.01 -0.04 7.19 7.32 1m5hB1 ALA 1033 H 0.31 0.35 -0.32 -0.55 8.40 8.19 1m5hB1 ALA 1033 HA 0.20 0.11 0.24 -0.75 4.34 4.14 1m5hB1 ALA 1033 HB3 0.31 0.03 -0.08 -0.04 1.41 1.63 1m5hB1 TRP 1034 H 0.43 0.59 -0.21 -0.55 7.97 8.23 1m5hB1 TRP 1034 HA -0.21 -0.01 0.36 -0.75 4.62 4.01 1m5hB1 TRP 1034 HB2 0.00 0.01 0.08 -0.04 3.23 3.28 1m5hB1 TRP 1034 HB3 -0.13 0.13 0.19 -0.04 3.23 3.38 1m5hB1 TRP 1034 HD1 -0.56 0.01 -0.03 -0.04 7.22 6.59 1m5hB1 TRP 1034 HE1 -0.15 0.02 -0.04 -0.04 10.20 10.00 1m5hB1 TRP 1034 HE3 -0.37 0.08 -0.14 -0.04 7.59 7.12 1m5hB1 TRP 1034 HZ2 -0.06 0.01 -0.04 -0.04 7.44 7.31 1m5hB1 TRP 1034 HZ3 -0.10 -0.01 -0.05 -0.04 7.13 6.93 1m5hB1 TRP 1034 HH2 -0.04 -0.00 -0.04 -0.04 7.19 7.07 1m5hB1 VAL 1035 H -0.02 0.55 -0.13 -0.55 8.24 8.08 1m5hB1 VAL 1035 HA -0.42 -0.03 0.33 -0.75 4.13 3.26 1m5hB1 VAL 1035 HB 0.03 0.18 0.17 -0.04 2.12 2.46 1m5hB1 VAL 1035 HG13 0.04 -0.01 -0.11 -0.04 0.97 0.86 1m5hB1 VAL 1035 HG23 -0.68 0.05 0.00 -0.04 0.95 0.28 1m5hB1 ALA 1036 H -0.04 0.39 -0.26 -0.55 8.40 7.94 1m5hB1 ALA 1036 HA -0.11 0.13 0.52 -0.75 4.34 4.13 1m5hB1 ALA 1036 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 1m5hB1 ALA 1037 H -0.15 0.54 -0.06 -0.55 8.40 8.19 1m5hB1 ALA 1037 HA -0.11 -0.00 0.30 -0.75 4.34 3.77 1m5hB1 ALA 1037 HB3 -0.16 -0.00 0.01 -0.04 1.41 1.22 1m5hB1 ASN 1038 H -0.74 0.78 -0.18 -0.55 8.53 7.85 1m5hB1 ASN 1038 HA -0.46 -0.02 0.35 -0.75 4.76 3.88 1m5hB1 ASN 1038 HB2 -2.15 -0.03 0.04 -0.04 2.88 0.70 1m5hB1 ASN 1038 HB3 -1.22 0.13 0.09 -0.04 2.79 1.75 1m5hB1 ASN 1038 HD21 -0.16 -0.07 -0.09 -0.04 7.03 6.67 1m5hB1 ASN 1038 HD22 -0.51 0.07 -0.09 -0.04 7.74 7.16 1m5hB1 GLU 1039 H -0.34 0.49 -0.13 -0.55 8.60 8.07 1m5hB1 GLU 1039 HA -0.15 -0.03 0.42 -0.75 4.29 3.78 1m5hB1 GLU 1039 HB2 -0.15 -0.02 0.15 -0.04 2.09 2.02 1m5hB1 GLU 1039 HB3 -0.14 0.18 0.21 -0.04 1.99 2.20 1m5hB1 GLU 1039 HG2 -0.08 0.03 0.01 -0.04 2.34 2.26 1m5hB1 GLU 1039 HG3 -0.08 0.00 -0.22 -0.04 2.34 2.01 1m5hB1 ALA 1040 H -0.15 0.60 -0.18 -0.55 8.40 8.13 1m5hB1 ALA 1040 HA -0.07 0.03 0.35 -0.75 4.34 3.90 1m5hB1 ALA 1040 HB3 -0.07 -0.02 -0.09 -0.04 1.41 1.20 1m5hB1 THR 1041 H -0.12 0.40 -0.38 -0.55 8.28 7.63 1m5hB1 THR 1041 HA -0.05 0.14 0.70 -0.75 4.39 4.42 1m5hB1 THR 1041 HB -0.04 -0.07 -0.13 -0.04 4.32 4.03 1m5hB1 THR 1041 HG23 -0.04 -0.00 -0.14 -0.04 1.22 1.00 1m5hB1 GLY 1042 H -0.06 0.33 -0.45 -0.55 8.43 7.69 1m5hB1 GLY 1042 HA2 -0.02 -0.00 0.43 -0.51 4.01 3.91 1m5hB1 GLY 1042 HA3 -0.01 0.03 0.29 -0.51 4.01 3.81 1m5hB1 PHE 1043 H 0.10 0.07 0.13 -0.55 8.34 8.09 1m5hB1 PHE 1043 HA -0.06 -0.07 0.36 -0.75 4.62 4.09 1m5hB1 PHE 1043 HB2 -0.04 -0.04 0.02 -0.04 3.15 3.05 1m5hB1 PHE 1043 HB3 -0.05 0.20 -0.06 -0.04 3.06 3.11 1m5hB1 PHE 1043 HD2 -0.04 -0.02 0.05 -0.04 7.28 7.22 1m5hB1 PHE 1043 HE2 -0.03 0.00 0.05 -0.04 7.38 7.36 1m5hB1 PHE 1043 HZ -0.02 0.06 0.09 -0.04 7.32 7.40 1m5hB1 GLY 1044 H -0.00 0.05 -0.23 -0.55 8.43 7.69 1m5hB1 GLY 1044 HA2 -0.17 0.23 0.74 -0.51 4.01 4.30 1m5hB1 GLY 1044 HA3 -0.09 0.10 0.19 -0.51 4.01 3.69 1m5hB1 THR 1045 H -0.15 0.02 0.07 -0.55 8.28 7.68 1m5hB1 THR 1045 HA -0.30 0.42 0.66 -0.75 4.39 4.41 1m5hB1 THR 1045 HB -1.42 -0.06 -0.03 -0.04 4.32 2.77 1m5hB1 THR 1045 HG23 -0.21 0.03 0.04 -0.04 1.22 1.04 1m5hB1 SER 1046 H -0.18 0.16 0.09 -0.55 8.46 7.98 1m5hB1 SER 1046 HA -0.04 0.18 0.65 -0.75 4.49 4.53 1m5hB1 SER 1046 HB2 0.06 0.14 -0.13 -0.04 3.95 3.98 1m5hB1 SER 1046 HB3 -0.07 -0.01 -0.05 -0.04 3.93 3.77 1m5hB1 VAL 1047 H -0.04 0.19 0.03 -0.55 8.24 7.87 1m5hB1 VAL 1047 HA -0.11 0.29 0.34 -0.75 4.13 3.90 1m5hB1 VAL 1047 HB -0.16 0.04 0.07 -0.04 2.12 2.03 1m5hB1 VAL 1047 HG13 -0.13 0.00 -0.09 -0.04 0.97 0.71 1m5hB1 VAL 1047 HG23 -0.07 0.00 -0.08 -0.04 0.95 0.75 1m5hB1 ILE 1048 H -0.03 -0.05 -0.48 -0.55 8.25 7.14 1m5hB1 ILE 1048 HA -0.04 0.12 0.40 -0.75 4.18 3.91 1m5hB1 ILE 1048 HB 0.01 0.06 -0.05 -0.04 1.89 1.87 1m5hB1 ILE 1048 HG12 0.01 -0.15 -0.08 -0.04 1.49 1.23 1m5hB1 ILE 1048 HG13 0.01 0.07 -0.17 -0.04 1.21 1.08 1m5hB1 ILE 1048 HG23 -0.00 -0.01 -0.06 -0.04 0.93 0.82 1m5hB1 ILE 1048 HD13 0.05 0.01 -0.12 -0.04 0.88 0.78 1m5hB1 MET 1049 H -0.03 0.02 -0.18 -0.55 8.47 7.74 1m5hB1 MET 1049 HA 0.00 0.22 0.62 -0.75 4.52 4.61 1m5hB1 MET 1049 HB2 0.04 -0.10 -0.11 -0.04 2.15 1.94 1m5hB1 MET 1049 HB3 0.07 0.01 0.09 -0.04 2.03 2.16 1m5hB1 MET 1049 HG2 0.02 0.08 -0.39 -0.04 2.63 2.30 1m5hB1 MET 1049 HG3 0.04 -0.06 -0.07 -0.04 2.56 2.43 1m5hB1 MET 1049 HE3 0.04 -0.02 0.03 -0.04 2.10 2.11 1m5hB1 CYS 1050 H -0.09 0.24 0.16 -0.55 8.50 8.26 1m5hB1 CYS 1050 HA -0.43 0.22 0.90 -0.75 4.58 4.51 1m5hB1 CYS 1050 HB2 -0.18 0.14 0.07 -0.04 2.97 2.96 1m5hB1 CYS 1050 HB3 -0.39 0.31 0.11 -0.04 2.97 2.96 1m5hB1 PRO 1051 HA -0.12 0.02 0.40 -0.51 4.44 4.23 1m5hB1 PRO 1051 HB2 -0.23 0.09 0.03 -0.04 2.28 2.12 1m5hB1 PRO 1051 HB3 -0.13 -0.04 0.10 -0.04 2.02 1.90 1m5hB1 PRO 1051 HG2 -0.39 0.05 0.09 -0.04 2.03 1.75 1m5hB1 PRO 1051 HG3 -0.25 -0.01 0.06 -0.04 2.03 1.80 1m5hB1 PRO 1051 HD2 -1.20 0.42 0.32 -0.04 3.68 3.18 1m5hB1 PRO 1051 HD3 -1.55 0.09 0.28 -0.04 3.65 2.43 1m5hB1 ALA 1052 H -0.23 0.26 -0.37 -0.55 8.40 7.51 1m5hB1 ALA 1052 HA -0.05 0.01 0.36 -0.75 4.34 3.91 1m5hB1 ALA 1052 HB3 -0.01 0.07 -0.07 -0.04 1.41 1.36 1m5hB1 GLU 1053 H -0.03 0.46 0.17 -0.55 8.60 8.64 1m5hB1 GLU 1053 HA -0.07 0.26 0.53 -0.75 4.29 4.26 1m5hB1 GLU 1053 HB2 -0.01 -0.09 -0.01 -0.04 2.09 1.94 1m5hB1 GLU 1053 HB3 0.00 0.06 -0.11 -0.04 1.99 1.90 1m5hB1 GLU 1053 HG2 -0.04 0.33 -0.55 -0.04 2.34 2.03 1m5hB1 GLU 1053 HG3 -0.06 -0.13 -0.58 -0.04 2.34 1.53 1m5hB1 ALA 1054 H -0.04 0.70 0.29 -0.55 8.40 8.80 1m5hB1 ALA 1054 HA 0.00 0.11 0.82 -0.75 4.34 4.53 1m5hB1 ALA 1054 HB3 -0.03 0.01 0.03 -0.04 1.41 1.38 1m5hB1 GLY 1055 H 0.01 0.41 0.33 -0.55 8.43 8.63 1m5hB1 GLY 1055 HA2 -0.01 0.09 0.37 -0.51 4.01 3.95 1m5hB1 GLY 1055 HA3 0.02 0.08 0.40 -0.51 4.01 4.00 1m5hB1 ILE 1056 H 0.01 0.19 0.13 -0.55 8.25 8.03 1m5hB1 ILE 1056 HA 0.05 0.07 0.74 -0.75 4.18 4.29 1m5hB1 ILE 1056 HB 0.02 0.02 0.12 -0.04 1.89 2.01 1m5hB1 ILE 1056 HG12 -0.12 0.02 -0.17 -0.04 1.49 1.18 1m5hB1 ILE 1056 HG13 -0.09 -0.02 -0.06 -0.04 1.21 1.00 1m5hB1 ILE 1056 HG23 -0.00 0.01 -0.21 -0.04 0.93 0.68 1m5hB1 ILE 1056 HD13 -0.30 -0.01 -0.12 -0.04 0.88 0.42 1m5hB1 GLU 1057 H 0.14 0.40 0.35 -0.55 8.60 8.95 1m5hB1 GLU 1057 HA 0.09 0.27 0.64 -0.75 4.29 4.54 1m5hB1 GLU 1057 HB2 0.11 -0.10 -0.10 -0.04 2.09 1.97 1m5hB1 GLU 1057 HB3 0.19 -0.11 0.11 -0.04 1.99 2.14 1m5hB1 GLU 1057 HG2 0.07 0.10 -0.12 -0.04 2.34 2.36 1m5hB1 GLU 1057 HG3 0.06 0.24 -0.00 -0.04 2.34 2.60 1m5hB1 ILE 1058 H 0.27 0.17 0.26 -0.55 8.25 8.39 1m5hB1 ILE 1058 HA 0.20 0.23 0.63 -0.75 4.18 4.50 1m5hB1 ILE 1058 HB 0.12 -0.00 0.10 -0.04 1.89 2.07 1m5hB1 ILE 1058 HG12 0.06 -0.03 -0.13 -0.04 1.49 1.34 1m5hB1 ILE 1058 HG13 0.13 -0.18 -0.16 -0.04 1.21 0.96 1m5hB1 ILE 1058 HG23 0.08 0.12 -0.08 -0.04 0.93 1.02 1m5hB1 ILE 1058 HD13 0.20 -0.02 -0.11 -0.04 0.88 0.90 1m5hB1 LYS 1059 H 0.13 0.18 0.18 -0.55 8.42 8.35 1m5hB1 LYS 1059 HA -0.36 0.12 0.60 -0.75 4.32 3.92 1m5hB1 LYS 1059 HB2 -0.06 0.02 0.14 -0.04 1.87 1.94 1m5hB1 LYS 1059 HB3 -0.18 -0.04 -0.09 -0.04 1.79 1.44 1m5hB1 LYS 1059 HG2 -0.85 0.02 0.08 -0.04 1.46 0.67 1m5hB1 LYS 1059 HG3 -0.02 0.03 0.06 -0.04 1.46 1.49 1m5hB1 LYS 1059 HD2 -0.24 0.03 0.01 -0.04 1.69 1.45 1m5hB1 LYS 1059 HD3 -0.80 -0.04 -0.01 -0.04 1.68 0.79 1m5hB1 LYS 1059 HE2 -0.43 -0.02 0.00 -0.04 2.99 2.50 1m5hB1 LYS 1059 HE3 -0.69 -0.05 0.00 -0.04 2.99 2.21 1m5hB1 ALA 1060 H -0.10 0.71 0.26 -0.55 8.40 8.72 1m5hB1 ALA 1060 HA 0.17 0.15 0.81 -0.75 4.34 4.71 1m5hB1 ALA 1060 HB3 -0.14 -0.02 -0.20 -0.04 1.41 1.01 1m5hB1 LYS 1061 H 0.10 0.18 0.01 -0.55 8.42 8.15 1m5hB1 LYS 1061 HA 0.18 0.12 0.47 -0.75 4.32 4.33 1m5hB1 LYS 1061 HB2 0.07 -0.02 0.04 -0.04 1.87 1.92 1m5hB1 LYS 1061 HB3 0.07 -0.01 0.05 -0.04 1.79 1.85 1m5hB1 LYS 1061 HG2 0.11 0.02 0.01 -0.04 1.46 1.56 1m5hB1 LYS 1061 HG3 0.07 0.02 -0.01 -0.04 1.46 1.50 1m5hB1 LYS 1061 HD2 0.05 0.02 -0.01 -0.04 1.69 1.70 1m5hB1 LYS 1061 HD3 0.05 -0.01 -0.00 -0.04 1.68 1.68 1m5hB1 LYS 1061 HE2 0.04 -0.00 -0.00 -0.04 2.99 2.98 1m5hB1 LYS 1061 HE3 0.03 0.04 -0.01 -0.04 2.99 3.01 1m5hB1 PRO 1062 HA -0.02 0.14 -0.07 -0.51 4.44 3.98 1m5hB1 PRO 1062 HB2 -0.01 -0.02 -0.00 -0.04 2.28 2.21 1m5hB1 PRO 1062 HB3 -0.02 0.39 -0.11 -0.04 2.02 2.24 1m5hB1 PRO 1062 HG2 -0.04 0.05 0.08 -0.04 2.03 2.07 1m5hB1 PRO 1062 HG3 -0.10 0.04 -0.03 -0.04 2.03 1.89 1m5hB1 PRO 1062 HD2 0.04 0.08 0.17 -0.04 3.68 3.94 1m5hB1 PRO 1062 HD3 0.04 0.10 0.23 -0.04 3.65 3.98 1m5hB1 SER 1063 H 0.02 0.05 -0.35 -0.55 8.46 7.63 1m5hB1 SER 1063 HA -0.00 0.14 0.37 -0.75 4.49 4.24 1m5hB1 SER 1063 HB2 0.01 0.03 0.07 -0.04 3.95 4.02 1m5hB1 SER 1063 HB3 0.01 -0.02 0.04 -0.04 3.93 3.93 1m5hB1 GLU 1064 H 0.03 0.58 -0.52 -0.55 8.60 8.14 1m5hB1 GLU 1064 HA 0.03 0.20 0.84 -0.75 4.29 4.60 1m5hB1 GLU 1064 HB2 0.11 0.01 -0.11 -0.04 2.09 2.06 1m5hB1 GLU 1064 HB3 0.10 -0.02 0.07 -0.04 1.99 2.10 1m5hB1 GLU 1064 HG2 0.05 0.02 -0.11 -0.04 2.34 2.27 1m5hB1 GLU 1064 HG3 0.06 -0.09 -0.09 -0.04 2.34 2.18 1m5hB1 THR 1065 H -0.01 0.30 -0.18 -0.55 8.28 7.84 1m5hB1 THR 1065 HA -0.06 0.23 0.81 -0.75 4.39 4.61 1m5hB1 THR 1065 HB -0.09 -0.10 -0.03 -0.04 4.32 4.06 1m5hB1 THR 1065 HG23 -0.04 0.05 -0.27 -0.04 1.22 0.93 1m5hB1 PRO 1066 HA -0.22 0.13 0.37 -0.51 4.44 4.21 1m5hB1 PRO 1066 HB2 -1.52 -0.04 -0.06 -0.04 2.28 0.62 1m5hB1 PRO 1066 HB3 -0.49 0.17 0.07 -0.04 2.02 1.74 1m5hB1 PRO 1066 HG2 -0.67 -0.04 0.05 -0.04 2.03 1.32 1m5hB1 PRO 1066 HG3 -0.26 0.11 0.08 -0.04 2.03 1.92 1m5hB1 PRO 1066 HD2 -0.54 0.04 0.10 -0.04 3.68 3.23 1m5hB1 PRO 1066 HD3 -0.18 0.22 0.21 -0.04 3.65 3.86 1m5hB1 ASP 1067 H -0.28 0.06 -0.33 -0.55 8.40 7.31 1m5hB1 ASP 1067 HA -0.06 0.21 0.81 -0.75 4.63 4.84 1m5hB1 ASP 1067 HB2 0.08 0.04 0.05 -0.04 2.71 2.84 1m5hB1 ASP 1067 HB3 0.16 -0.02 -0.11 -0.04 2.70 2.68 1m5hB1 GLY 1068 H -0.07 0.31 -0.34 -0.55 8.43 7.78 1m5hB1 GLY 1068 HA2 -0.03 0.29 0.32 -0.51 4.01 4.08 1m5hB1 GLY 1068 HA3 -0.02 0.04 0.38 -0.51 4.01 3.89 1m5hB1 ARG 1069 H 0.00 -0.01 -0.29 -0.55 8.46 7.61 1m5hB1 ARG 1069 HA -0.02 0.21 0.96 -0.75 4.34 4.73 1m5hB1 ARG 1069 HB2 0.06 0.00 -0.05 -0.04 1.90 1.87 1m5hB1 ARG 1069 HB3 0.04 0.12 0.13 -0.04 1.80 2.05 1m5hB1 ARG 1069 HG2 0.04 0.02 -0.13 -0.04 1.67 1.56 1m5hB1 ARG 1069 HG3 0.04 -0.03 -0.41 -0.04 1.67 1.23 1m5hB1 ARG 1069 HD2 0.10 -0.03 -0.12 -0.04 3.22 3.14 1m5hB1 ARG 1069 HD3 0.12 -0.10 -0.15 -0.04 3.22 3.05 1m5hB1 PRO 1070 HA -0.13 0.18 0.43 -0.51 4.44 4.41 1m5hB1 PRO 1070 HB2 -1.00 -0.06 -0.10 -0.04 2.28 1.08 1m5hB1 PRO 1070 HB3 -0.83 -0.00 0.14 -0.04 2.02 1.28 1m5hB1 PRO 1070 HG2 -0.14 -0.01 -0.24 -0.04 2.03 1.60 1m5hB1 PRO 1070 HG3 -0.30 -0.04 0.14 -0.04 2.03 1.79 1m5hB1 PRO 1070 HD2 -0.04 0.27 0.25 -0.04 3.68 4.12 1m5hB1 PRO 1070 HD3 -0.12 0.10 0.21 -0.04 3.65 3.79 1m5hB1 GLY 1071 H 0.03 0.46 0.32 -0.55 8.43 8.69 1m5hB1 GLY 1071 HA2 0.10 0.01 0.54 -0.51 4.01 4.15 1m5hB1 GLY 1071 HA3 0.01 0.11 0.45 -0.51 4.01 4.08 1m5hB1 TYR 1072 H 0.11 0.64 0.37 -0.55 8.29 8.86 1m5hB1 TYR 1072 HA 0.09 0.15 0.89 -0.75 4.56 4.94 1m5hB1 TYR 1072 HB2 0.08 -0.02 -0.02 -0.04 3.06 3.06 1m5hB1 TYR 1072 HB3 0.10 0.10 -0.09 -0.04 2.98 3.05 1m5hB1 TYR 1072 HD2 0.17 0.01 -0.37 -0.04 7.15 6.92 1m5hB1 TYR 1072 HE2 0.21 0.05 -0.04 -0.04 6.85 7.02 1m5hB1 TYR 1073 H 0.33 0.57 0.30 -0.55 8.29 8.94 1m5hB1 TYR 1073 HA 0.13 0.23 0.98 -0.75 4.56 5.14 1m5hB1 TYR 1073 HB2 0.11 -0.07 0.18 -0.04 3.06 3.23 1m5hB1 TYR 1073 HB3 0.09 0.01 0.04 -0.04 2.98 3.08 1m5hB1 TYR 1073 HD2 0.08 0.05 -0.13 -0.04 7.15 7.11 1m5hB1 TYR 1073 HE2 0.06 0.00 -0.05 -0.04 6.85 6.82 1m5hB1 ILE 1074 H 0.19 0.67 0.46 -0.55 8.25 9.02 1m5hB1 ILE 1074 HA 0.11 0.06 1.10 -0.75 4.18 4.70 1m5hB1 ILE 1074 HB 0.03 0.12 0.06 -0.04 1.89 2.07 1m5hB1 ILE 1074 HG12 0.08 0.09 0.03 -0.04 1.49 1.66 1m5hB1 ILE 1074 HG13 0.07 -0.11 -0.24 -0.04 1.21 0.88 1m5hB1 ILE 1074 HG23 0.04 -0.01 -0.23 -0.04 0.93 0.70 1m5hB1 ILE 1074 HD13 0.01 0.00 -0.18 -0.04 0.88 0.68 1m5hB1 GLN 1075 H 0.06 0.60 0.33 -0.55 8.47 8.91 1m5hB1 GLN 1075 HA 0.07 0.34 1.13 -0.75 4.36 5.15 1m5hB1 GLN 1075 HB2 0.05 0.01 -0.06 -0.04 2.15 2.11 1m5hB1 GLN 1075 HB3 0.05 -0.03 -0.10 -0.04 2.02 1.90 1m5hB1 GLN 1075 HG2 0.07 0.02 -0.15 -0.04 2.40 2.30 1m5hB1 GLN 1075 HG3 0.08 -0.06 -0.37 -0.04 2.39 2.00 1m5hB1 GLN 1075 HE21 0.03 0.22 -0.57 -0.04 6.97 6.61 1m5hB1 GLN 1075 HE22 0.04 -0.06 -0.27 -0.04 7.69 7.36 1m5hB1 ILE 1076 H 0.05 0.51 0.29 -0.55 8.25 8.56 1m5hB1 ILE 1076 HA 0.01 0.23 0.86 -0.75 4.18 4.53 1m5hB1 ILE 1076 HB 0.02 -0.10 0.04 -0.04 1.89 1.81 1m5hB1 ILE 1076 HG12 -0.00 0.13 -0.10 -0.04 1.49 1.48 1m5hB1 ILE 1076 HG13 0.02 -0.08 -0.54 -0.04 1.21 0.56 1m5hB1 ILE 1076 HG23 -0.00 -0.00 -0.22 -0.04 0.93 0.66 1m5hB1 ILE 1076 HD13 -0.00 -0.00 -0.18 -0.04 0.88 0.65 1m5hB1 CYS 1077 H 0.02 0.73 0.31 -0.55 8.50 9.01 1m5hB1 CYS 1077 HA 0.05 0.28 1.21 -0.75 4.58 5.36 1m5hB1 CYS 1077 HB2 0.02 -0.11 -0.04 -0.04 2.97 2.80 1m5hB1 CYS 1077 HB3 0.04 0.05 -0.02 -0.04 2.97 3.00 1m5hB1 HIS 1078 H 0.08 0.64 0.33 -0.55 8.41 8.92 1m5hB1 HIS 1078 HA -0.03 0.10 0.63 -0.75 4.63 4.58 1m5hB1 HIS 1078 HB2 -0.05 0.17 -0.34 -0.04 3.26 3.00 1m5hB1 HIS 1078 HB3 -0.05 -0.00 -0.10 -0.04 3.20 3.00 1m5hB1 HIS 1078 HD2 -0.07 0.34 0.11 -0.04 6.97 7.31 1m5hB1 HIS 1078 HE1 -0.04 0.01 0.05 -0.04 7.75 7.73 1m5hB1 MET 1079 H -0.49 0.21 0.16 -0.55 8.47 7.80 1m5hB1 MET 1079 HA -0.00 0.08 0.55 -0.75 4.52 4.39 1m5hB1 MET 1079 HB2 -0.12 -0.02 0.12 -0.04 2.15 2.09 1m5hB1 MET 1079 HB3 -0.04 0.04 0.07 -0.04 2.03 2.07 1m5hB1 MET 1079 HG2 -0.22 -0.03 0.09 -0.04 2.63 2.43 1m5hB1 MET 1079 HG3 -0.13 0.06 0.04 -0.04 2.56 2.49 1m5hB1 MET 1079 HE3 -0.04 -0.00 0.05 -0.04 2.10 2.07 1m5hB1 SER 1080 H 0.61 0.05 -0.07 -0.55 8.46 8.51 1m5hB1 SER 1080 HA 0.07 0.33 1.00 -0.75 4.49 5.14 1m5hB1 SER 1080 HB2 0.04 -0.01 0.13 -0.04 3.95 4.07 1m5hB1 SER 1080 HB3 0.09 0.12 -0.01 -0.04 3.93 4.10 1m5hB1 LYS 1081 H -0.00 0.22 0.16 -0.55 8.42 8.24 1m5hB1 LYS 1081 HA -0.19 0.15 0.42 -0.75 4.32 3.94 1m5hB1 LYS 1081 HB2 -0.03 -0.03 0.14 -0.04 1.87 1.91 1m5hB1 LYS 1081 HB3 -0.10 0.06 -0.00 -0.04 1.79 1.71 1m5hB1 LYS 1081 HG2 0.05 0.04 0.00 -0.04 1.46 1.52 1m5hB1 LYS 1081 HG3 0.04 -0.01 0.08 -0.04 1.46 1.54 1m5hB1 LYS 1081 HD2 0.05 0.00 0.03 -0.04 1.69 1.74 1m5hB1 LYS 1081 HD3 0.12 0.03 0.01 -0.04 1.68 1.79 1m5hB1 LYS 1081 HE2 0.19 0.01 -0.01 -0.04 2.99 3.14 1m5hB1 LYS 1081 HE3 0.09 0.01 0.02 -0.04 2.99 3.06 1m5hB1 LYS 1082 H -0.06 0.12 0.00 -0.55 8.42 7.92 1m5hB1 LYS 1082 HA -0.10 0.11 0.42 -0.75 4.32 4.01 1m5hB1 LYS 1082 HB2 -0.06 -0.05 0.07 -0.04 1.87 1.79 1m5hB1 LYS 1082 HB3 -0.07 0.09 -0.05 -0.04 1.79 1.71 1m5hB1 LYS 1082 HG2 -0.04 0.05 0.04 -0.04 1.46 1.46 1m5hB1 LYS 1082 HG3 -0.03 -0.05 0.07 -0.04 1.46 1.40 1m5hB1 LYS 1082 HD2 -0.02 -0.00 0.01 -0.04 1.69 1.64 1m5hB1 LYS 1082 HD3 -0.03 0.05 -0.00 -0.04 1.68 1.65 1m5hB1 LYS 1082 HE2 -0.02 0.02 0.01 -0.04 2.99 2.96 1m5hB1 LYS 1082 HE3 -0.01 -0.02 0.02 -0.04 2.99 2.94 1m5hB1 GLY 1083 H -0.19 0.01 -0.33 -0.55 8.43 7.37 1m5hB1 GLY 1083 HA2 -0.41 0.13 0.40 -0.51 4.01 3.63 1m5hB1 GLY 1083 HA3 -1.25 0.04 0.24 -0.51 4.01 2.52 1m5hB1 LEU 1084 H -0.28 0.33 -0.36 -0.55 8.37 7.50 1m5hB1 LEU 1084 HA -0.15 0.12 0.38 -0.75 4.35 3.94 1m5hB1 LEU 1084 HB2 -0.06 0.03 -0.01 -0.04 1.64 1.56 1m5hB1 LEU 1084 HB3 -0.23 0.07 0.09 -0.04 1.64 1.53 1m5hB1 LEU 1084 HG -0.15 -0.04 -0.37 -0.04 1.64 1.04 1m5hB1 LEU 1084 HD13 -0.01 -0.01 -0.13 -0.04 0.93 0.75 1m5hB1 LEU 1084 HD23 -0.17 -0.01 -0.23 -0.04 0.89 0.44 1m5hB1 GLU 1085 H -0.19 0.54 -0.08 -0.55 8.60 8.32 1m5hB1 GLU 1085 HA -0.10 -0.01 0.36 -0.75 4.29 3.79 1m5hB1 GLU 1085 HB2 -0.13 0.03 0.11 -0.04 2.09 2.06 1m5hB1 GLU 1085 HB3 -0.10 0.10 0.11 -0.04 1.99 2.06 1m5hB1 GLU 1085 HG2 -0.04 0.02 -0.18 -0.04 2.34 2.10 1m5hB1 GLU 1085 HG3 -0.03 -0.10 0.03 -0.04 2.34 2.20 1m5hB1 GLU 1086 H -0.15 0.42 -0.35 -0.55 8.60 7.98 1m5hB1 GLU 1086 HA -0.07 0.01 0.38 -0.75 4.29 3.86 1m5hB1 GLU 1086 HB2 -0.14 0.21 0.16 -0.04 2.09 2.29 1m5hB1 GLU 1086 HB3 -0.14 0.14 0.05 -0.04 1.99 1.99 1m5hB1 GLU 1086 HG2 -0.07 0.00 -0.03 -0.04 2.34 2.21 1m5hB1 GLU 1086 HG3 -0.06 -0.04 0.02 -0.04 2.34 2.22 1m5hB1 GLN 1087 H -0.14 0.44 -0.20 -0.55 8.47 8.02 1m5hB1 GLN 1087 HA -0.07 0.04 0.45 -0.75 4.36 4.03 1m5hB1 GLN 1087 HB2 -0.07 0.02 0.09 -0.04 2.15 2.15 1m5hB1 GLN 1087 HB3 -0.04 -0.02 -0.05 -0.04 2.02 1.87 1m5hB1 GLN 1087 HG2 -0.12 0.13 0.09 -0.04 2.40 2.46 1m5hB1 GLN 1087 HG3 0.02 0.05 -0.03 -0.04 2.39 2.39 1m5hB1 GLN 1087 HE21 -0.07 -0.03 -0.03 -0.04 6.97 6.80 1m5hB1 GLN 1087 HE22 -0.07 -0.04 -0.04 -0.04 7.69 7.50 1m5hB1 LEU 1088 H -0.06 0.49 -0.29 -0.55 8.37 7.97 1m5hB1 LEU 1088 HA -0.01 0.05 0.40 -0.75 4.35 4.03 1m5hB1 LEU 1088 HB2 -0.02 0.12 0.13 -0.04 1.64 1.83 1m5hB1 LEU 1088 HB3 0.01 -0.08 -0.06 -0.04 1.64 1.47 1m5hB1 LEU 1088 HG -0.02 0.12 -0.04 -0.04 1.64 1.66 1m5hB1 LEU 1088 HD13 0.00 -0.04 -0.11 -0.04 0.93 0.74 1m5hB1 LEU 1088 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.77 1m5hB1 LEU 1089 H -0.03 0.48 -0.11 -0.55 8.37 8.16 1m5hB1 LEU 1089 HA -0.00 0.00 0.41 -0.75 4.35 4.00 1m5hB1 LEU 1089 HB2 -0.03 0.14 0.16 -0.04 1.64 1.87 1m5hB1 LEU 1089 HB3 -0.02 0.03 -0.07 -0.04 1.64 1.53 1m5hB1 LEU 1089 HG 0.00 0.01 -0.01 -0.04 1.64 1.60 1m5hB1 LEU 1089 HD13 0.03 -0.02 0.02 -0.04 0.93 0.92 1m5hB1 LEU 1089 HD23 -0.01 0.03 -0.05 -0.04 0.89 0.82 1m5hB1 ALA 1090 H -0.04 0.45 -0.23 -0.55 8.40 8.03 1m5hB1 ALA 1090 HA -0.04 0.07 0.51 -0.75 4.34 4.12 1m5hB1 ALA 1090 HB3 -0.04 0.01 0.07 -0.04 1.41 1.41 1m5hB1 ARG 1091 H -0.04 0.66 -0.01 -0.55 8.46 8.52 1m5hB1 ARG 1091 HA -0.04 0.09 0.45 -0.75 4.34 4.07 1m5hB1 ARG 1091 HB2 -0.03 0.06 0.14 -0.04 1.90 2.02 1m5hB1 ARG 1091 HB3 -0.04 0.01 -0.00 -0.04 1.80 1.73 1m5hB1 ARG 1091 HG2 -0.04 0.12 0.05 -0.04 1.67 1.76 1m5hB1 ARG 1091 HG3 -0.05 -0.13 0.04 -0.04 1.67 1.49 1m5hB1 ARG 1091 HD2 -0.04 -0.09 -0.08 -0.04 3.22 2.97 1m5hB1 ARG 1091 HD3 -0.04 0.12 -0.03 -0.04 3.22 3.24 1m5hB1 LEU 1092 H -0.02 0.54 -0.10 -0.55 8.37 8.24 1m5hB1 LEU 1092 HA -0.03 0.05 0.48 -0.75 4.35 4.10 1m5hB1 LEU 1092 HB2 0.01 0.14 0.08 -0.04 1.64 1.83 1m5hB1 LEU 1092 HB3 0.05 -0.06 -0.04 -0.04 1.64 1.54 1m5hB1 LEU 1092 HG 0.01 0.08 0.06 -0.04 1.64 1.74 1m5hB1 LEU 1092 HD13 0.04 -0.03 -0.10 -0.04 0.93 0.80 1m5hB1 LEU 1092 HD23 0.02 -0.00 -0.15 -0.04 0.89 0.71 1m5hB1 GLY 1093 H -0.04 0.38 -0.25 -0.55 8.43 7.97 1m5hB1 GLY 1093 HA2 -0.13 -0.02 0.39 -0.51 4.01 3.74 1m5hB1 GLY 1093 HA3 -0.09 0.19 0.34 -0.51 4.01 3.94 1m5hB1 GLN 1094 H -0.08 0.46 -0.28 -0.55 8.47 8.02 1m5hB1 GLN 1094 HA -0.13 0.13 0.75 -0.75 4.36 4.36 1m5hB1 GLN 1094 HB2 -0.06 0.25 0.13 -0.04 2.15 2.43 1m5hB1 GLN 1094 HB3 -0.06 -0.06 -0.01 -0.04 2.02 1.85 1m5hB1 GLN 1094 HG2 -0.06 -0.03 -0.01 -0.04 2.40 2.26 1m5hB1 GLN 1094 HG3 -0.04 -0.05 0.01 -0.04 2.39 2.26 1m5hB1 GLN 1094 HE21 -0.04 -0.03 -0.01 -0.04 6.97 6.86 1m5hB1 GLN 1094 HE22 -0.03 -0.01 -0.01 -0.04 7.69 7.60 1m5hB1 CYS 1095 H -0.09 0.43 -0.13 -0.55 8.50 8.16 1m5hB1 CYS 1095 HA -0.09 0.20 0.97 -0.75 4.58 4.91 1m5hB1 CYS 1095 HB2 -0.07 0.13 0.03 -0.04 2.97 3.01 1m5hB1 CYS 1095 HB3 -0.08 -0.10 -0.06 -0.04 2.97 2.69 1m5hB1 VAL 1096 H -0.13 0.35 0.04 -0.55 8.24 7.95 1m5hB1 VAL 1096 HA -0.09 0.20 1.03 -0.75 4.13 4.51 1m5hB1 VAL 1096 HB -0.02 0.04 0.10 -0.04 2.12 2.20 1m5hB1 VAL 1096 HG13 0.06 -0.01 -0.14 -0.04 0.97 0.84 1m5hB1 VAL 1096 HG23 -0.03 0.02 -0.22 -0.04 0.95 0.67 1m5hB1 LEU 1097 H -0.28 0.61 0.16 -0.55 8.37 8.32 1m5hB1 LEU 1097 HA -1.82 0.05 0.36 -0.75 4.35 2.18 1m5hB1 LEU 1097 HB2 -0.49 -0.08 0.03 -0.04 1.64 1.06 1m5hB1 LEU 1097 HB3 -0.42 0.21 0.12 -0.04 1.64 1.51 1m5hB1 LEU 1097 HG -0.78 -0.03 0.03 -0.04 1.64 0.82 1m5hB1 LEU 1097 HD13 -0.16 -0.02 -0.04 -0.04 0.93 0.67 1m5hB1 LEU 1097 HD23 -0.61 0.03 -0.27 -0.04 0.89 0.00 1m5hB1 THR 1098 H -0.28 -0.03 -0.73 -0.55 8.28 6.69 1m5hB1 THR 1098 HA -0.23 0.16 0.71 -0.75 4.39 4.27 1m5hB1 THR 1098 HB -0.12 -0.07 0.01 -0.04 4.32 4.09 1m5hB1 THR 1098 HG23 -0.20 0.01 -0.07 -0.04 1.22 0.91 1m5hB1 ALA 1099 H -0.18 0.18 -0.46 -0.55 8.40 7.39 1m5hB1 ALA 1099 HA -0.07 0.09 0.54 -0.75 4.34 4.15 1m5hB1 ALA 1099 HB3 -0.04 0.04 0.05 -0.04 1.41 1.42 1m5hB1 PRO 1100 HA -0.24 0.02 0.39 -0.51 4.44 4.10 1m5hB1 PRO 1100 HB2 -0.86 -0.06 0.08 -0.04 2.28 1.40 1m5hB1 PRO 1100 HB3 -0.65 0.01 0.07 -0.04 2.02 1.41 1m5hB1 PRO 1100 HG2 -0.19 0.00 0.08 -0.04 2.03 1.88 1m5hB1 PRO 1100 HG3 -0.19 0.08 0.08 -0.04 2.03 1.96 1m5hB1 PRO 1100 HD2 0.09 0.06 0.17 -0.04 3.68 3.96 1m5hB1 PRO 1100 HD3 -0.02 0.19 0.24 -0.04 3.65 4.02 1m5hB1 THR 1101 H -0.26 0.14 0.12 -0.55 8.28 7.73 1m5hB1 THR 1101 HA -0.15 0.06 0.32 -0.75 4.39 3.86 1m5hB1 THR 1101 HB -0.36 0.01 0.14 -0.04 4.32 4.06 1m5hB1 THR 1101 HG23 -1.31 -0.02 -0.20 -0.04 1.22 -0.36 1m5hB1 THR 1102 H -0.02 0.25 -0.51 -0.55 8.28 7.44 1m5hB1 THR 1102 HA 0.09 0.37 0.65 -0.75 4.39 4.75 1m5hB1 THR 1102 HB 0.12 -0.09 0.11 -0.04 4.32 4.42 1m5hB1 THR 1102 HG23 0.06 0.00 -0.09 -0.04 1.22 1.15 1m5hB1 ALA 1103 H 0.08 0.40 0.40 -0.55 8.40 8.74 1m5hB1 ALA 1103 HA -0.21 0.21 0.72 -0.75 4.34 4.32 1m5hB1 ALA 1103 HB3 -0.12 -0.02 -0.01 -0.04 1.41 1.22 1m5hB1 VAL 1104 H -0.58 0.58 0.41 -0.55 8.24 8.09 1m5hB1 VAL 1104 HA -0.17 0.36 1.32 -0.75 4.13 4.89 1m5hB1 VAL 1104 HB 0.00 0.07 0.10 -0.04 2.12 2.25 1m5hB1 VAL 1104 HG13 0.16 0.03 -0.23 -0.04 0.97 0.89 1m5hB1 VAL 1104 HG23 -0.07 -0.04 -0.13 -0.04 0.95 0.67 1m5hB1 PHE 1105 H 0.05 0.63 0.35 -0.55 8.34 8.82 1m5hB1 PHE 1105 HA 0.02 0.08 1.00 -0.75 4.62 4.96 1m5hB1 PHE 1105 HB2 0.01 0.02 -0.02 -0.04 3.15 3.12 1m5hB1 PHE 1105 HB3 0.03 0.02 0.12 -0.04 3.06 3.18 1m5hB1 PHE 1105 HD2 -0.01 -0.00 -0.11 -0.04 7.28 7.11 1m5hB1 PHE 1105 HE2 -0.02 0.02 -0.18 -0.04 7.38 7.15 1m5hB1 PHE 1105 HZ -0.02 0.04 -0.19 -0.04 7.32 7.10 1m5hB1 ASN 1106 H 0.23 0.14 0.23 -0.55 8.53 8.58 1m5hB1 ASN 1106 HA 0.13 0.03 0.70 -0.75 4.76 4.87 1m5hB1 ASN 1106 HB2 0.12 0.22 0.30 -0.04 2.88 3.48 1m5hB1 ASN 1106 HB3 0.12 0.02 0.23 -0.04 2.79 3.11 1m5hB1 ASN 1106 HD21 0.07 0.06 -0.09 -0.04 7.03 7.03 1m5hB1 ASN 1106 HD22 0.08 0.10 -0.11 -0.04 7.74 7.78 1m5hB1 GLY 1107 H 0.16 0.44 0.51 -0.55 8.43 8.98 1m5hB1 GLY 1107 HA2 0.34 0.11 0.47 -0.51 4.01 4.43 1m5hB1 GLY 1107 HA3 0.27 -0.02 -0.01 -0.51 4.01 3.75 1m5hB1 LEU 1108 H 0.10 -0.01 -0.19 -0.55 8.37 7.73 1m5hB1 LEU 1108 HA 0.03 0.21 0.78 -0.75 4.35 4.62 1m5hB1 LEU 1108 HB2 0.06 0.02 0.15 -0.04 1.64 1.83 1m5hB1 LEU 1108 HB3 0.02 -0.08 0.14 -0.04 1.64 1.68 1m5hB1 LEU 1108 HG 0.05 0.00 -0.17 -0.04 1.64 1.48 1m5hB1 LEU 1108 HD13 0.04 0.02 -0.15 -0.04 0.93 0.81 1m5hB1 LEU 1108 HD23 0.00 0.03 0.02 -0.04 0.89 0.90 1m5hB1 PRO 1109 HA 0.05 0.05 0.43 -0.51 4.44 4.45 1m5hB1 PRO 1109 HB2 0.02 0.05 -0.01 -0.04 2.28 2.31 1m5hB1 PRO 1109 HB3 0.05 0.06 0.11 -0.04 2.02 2.19 1m5hB1 PRO 1109 HG2 0.02 -0.03 0.02 -0.04 2.03 2.00 1m5hB1 PRO 1109 HG3 0.04 0.11 0.02 -0.04 2.03 2.15 1m5hB1 PRO 1109 HD2 0.04 0.18 -0.09 -0.04 3.68 3.77 1m5hB1 PRO 1109 HD3 0.09 0.28 -0.17 -0.04 3.65 3.80 1m5hB1 ASP 1110 H 0.01 0.06 -0.29 -0.55 8.40 7.63 1m5hB1 ASP 1110 HA 0.00 0.25 0.77 -0.75 4.63 4.89 1m5hB1 ASP 1110 HB2 -0.01 -0.03 -0.01 -0.04 2.71 2.63 1m5hB1 ASP 1110 HB3 -0.01 0.00 0.12 -0.04 2.70 2.77 1m5hB1 ALA 1111 H -0.00 0.34 -0.31 -0.55 8.40 7.89 1m5hB1 ALA 1111 HA -0.04 -0.02 0.50 -0.75 4.34 4.02 1m5hB1 ALA 1111 HB3 -0.05 0.01 0.10 -0.04 1.41 1.43 1m5hB1 GLU 1112 H -0.07 0.04 0.23 -0.55 8.60 8.26 1m5hB1 GLU 1112 HA -0.03 0.15 0.53 -0.75 4.29 4.18 1m5hB1 GLU 1112 HB2 -0.04 0.04 0.15 -0.04 2.09 2.20 1m5hB1 GLU 1112 HB3 -0.07 -0.08 0.18 -0.04 1.99 1.99 1m5hB1 GLU 1112 HG2 -0.03 0.03 0.07 -0.04 2.34 2.37 1m5hB1 GLU 1112 HG3 -0.03 -0.01 0.03 -0.04 2.34 2.29 1m5hB1 GLU 1113 H -0.19 0.03 0.12 -0.55 8.60 8.01 1m5hB1 GLU 1113 HA -0.12 0.10 0.65 -0.75 4.29 4.17 1m5hB1 GLU 1113 HB2 -1.02 0.16 0.15 -0.04 2.09 1.34 1m5hB1 GLU 1113 HB3 -0.61 -0.01 0.08 -0.04 1.99 1.41 1m5hB1 GLU 1113 HG2 -0.13 0.02 0.02 -0.04 2.34 2.21 1m5hB1 GLU 1113 HG3 -0.23 -0.05 0.14 -0.04 2.34 2.16 1m5hB1 LYS 1114 H 0.05 0.25 0.24 -0.55 8.42 8.41 1m5hB1 LYS 1114 HA 0.15 0.16 0.80 -0.75 4.32 4.67 1m5hB1 LYS 1114 HB2 0.06 -0.02 -0.12 -0.04 1.87 1.75 1m5hB1 LYS 1114 HB3 0.09 -0.08 -0.13 -0.04 1.79 1.63 1m5hB1 LYS 1114 HG2 0.04 -0.05 -0.26 -0.04 1.46 1.15 1m5hB1 LYS 1114 HG3 0.00 0.12 -0.74 -0.04 1.46 0.80 1m5hB1 LYS 1114 HD2 0.03 -0.01 -0.13 -0.04 1.69 1.54 1m5hB1 LYS 1114 HD3 0.05 -0.12 -0.16 -0.04 1.68 1.41 1m5hB1 LYS 1114 HE2 0.01 0.26 -0.08 -0.04 2.99 3.14 1m5hB1 LYS 1114 HE3 0.02 -0.05 -0.04 -0.04 2.99 2.88 1m5hB1 ASP 1115 H 0.16 0.59 0.36 -0.55 8.40 8.96 1m5hB1 ASP 1115 HA 0.10 0.17 0.85 -0.75 4.63 5.00 1m5hB1 ASP 1115 HB2 0.08 0.05 0.16 -0.04 2.71 2.96 1m5hB1 ASP 1115 HB3 0.04 -0.02 0.06 -0.04 2.70 2.73 1m5hB1 ASP 1116 H 0.07 0.22 0.09 -0.55 8.40 8.23 1m5hB1 ASP 1116 HA 0.12 0.20 0.85 -0.75 4.63 5.05 1m5hB1 ASP 1116 HB2 0.14 0.02 0.22 -0.04 2.71 3.05 1m5hB1 ASP 1116 HB3 0.04 0.04 0.08 -0.04 2.70 2.81 1m5hB1 THR 1117 H 0.09 0.22 -0.47 -0.55 8.28 7.58 1m5hB1 THR 1117 HA 0.07 0.03 0.29 -0.75 4.39 4.03 1m5hB1 THR 1117 HB 0.05 0.05 -0.10 -0.04 4.32 4.28 1m5hB1 THR 1117 HG23 0.04 0.00 -0.05 -0.04 1.22 1.18 1m5hB1 GLY 1118 H 0.13 0.14 -0.34 -0.55 8.43 7.81 1m5hB1 GLY 1118 HA2 0.09 -0.00 0.28 -0.51 4.01 3.86 1m5hB1 GLY 1118 HA3 0.17 0.39 0.23 -0.51 4.01 4.29 1m5hB1 PHE 1119 H 0.28 0.38 -0.07 -0.55 8.34 8.38 1m5hB1 PHE 1119 HA -0.37 0.01 0.32 -0.75 4.62 3.83 1m5hB1 PHE 1119 HB2 0.12 -0.03 0.14 -0.04 3.15 3.34 1m5hB1 PHE 1119 HB3 0.07 0.09 0.13 -0.04 3.06 3.31 1m5hB1 PHE 1119 HD2 0.17 -0.00 -0.09 -0.04 7.28 7.31 1m5hB1 PHE 1119 HE2 0.17 -0.00 -0.03 -0.04 7.38 7.47 1m5hB1 PHE 1119 HZ 0.08 -0.00 -0.02 -0.04 7.32 7.34 1m5hB1 LYS 1120 H 0.18 0.37 -0.23 -0.55 8.42 8.18 1m5hB1 LYS 1120 HA 0.24 0.05 0.49 -0.75 4.32 4.35 1m5hB1 LYS 1120 HB2 0.08 0.04 0.13 -0.04 1.87 2.08 1m5hB1 LYS 1120 HB3 0.05 -0.01 -0.01 -0.04 1.79 1.77 1m5hB1 LYS 1120 HG2 0.16 -0.01 -0.02 -0.04 1.46 1.55 1m5hB1 LYS 1120 HG3 0.17 0.09 -0.02 -0.04 1.46 1.66 1m5hB1 LYS 1120 HD2 0.04 -0.01 -0.05 -0.04 1.69 1.62 1m5hB1 LYS 1120 HD3 0.01 0.02 -0.03 -0.04 1.68 1.63 1m5hB1 LYS 1120 HE2 0.06 -0.09 -0.07 -0.04 2.99 2.85 1m5hB1 LYS 1120 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 1m5hB1 LEU 1121 H 0.05 0.62 0.05 -0.55 8.37 8.55 1m5hB1 LEU 1121 HA 0.06 0.02 0.40 -0.75 4.35 4.06 1m5hB1 LEU 1121 HB2 0.07 0.09 0.08 -0.04 1.64 1.84 1m5hB1 LEU 1121 HB3 0.07 -0.01 0.01 -0.04 1.64 1.67 1m5hB1 LEU 1121 HG 0.04 0.09 0.07 -0.04 1.64 1.80 1m5hB1 LEU 1121 HD13 0.06 -0.02 -0.13 -0.04 0.93 0.80 1m5hB1 LEU 1121 HD23 -0.01 0.01 0.05 -0.04 0.89 0.90 1m5hB1 LYS 1122 H -0.16 0.52 -0.37 -0.55 8.42 7.86 1m5hB1 LYS 1122 HA -0.03 0.05 0.30 -0.75 4.32 3.88 1m5hB1 LYS 1122 HB2 -0.44 -0.10 0.03 -0.04 1.87 1.32 1m5hB1 LYS 1122 HB3 -0.38 0.08 0.01 -0.04 1.79 1.46 1m5hB1 LYS 1122 HG2 -2.07 -0.12 -0.05 -0.04 1.46 -0.81 1m5hB1 LYS 1122 HG3 -0.89 0.42 0.03 -0.04 1.46 0.98 1m5hB1 LYS 1122 HD2 -1.09 0.01 -0.77 -0.04 1.69 -0.20 1m5hB1 LYS 1122 HD3 -1.23 -0.11 -0.16 -0.04 1.68 0.14 1m5hB1 LYS 1122 HE2 -2.14 0.25 0.03 -0.04 2.99 1.09 1m5hB1 LYS 1122 HE3 -1.82 -0.08 -0.07 -0.04 2.99 0.97 1m5hB1 PHE 1123 H 0.05 0.52 -0.45 -0.55 8.34 7.90 1m5hB1 PHE 1123 HA -0.20 -0.03 0.47 -0.75 4.62 4.11 1m5hB1 PHE 1123 HB2 -0.10 0.22 0.13 -0.04 3.15 3.35 1m5hB1 PHE 1123 HB3 -0.09 -0.06 0.04 -0.04 3.06 2.91 1m5hB1 PHE 1123 HD2 -0.22 0.12 0.16 -0.04 7.28 7.29 1m5hB1 PHE 1123 HE2 -0.38 -0.03 -0.03 -0.04 7.38 6.90 1m5hB1 PHE 1123 HZ -0.19 -0.05 -0.01 -0.04 7.32 7.02 1m5hB1 PHE 1124 H 0.22 0.56 -0.24 -0.55 8.34 8.33 1m5hB1 PHE 1124 HA 0.02 0.00 0.37 -0.75 4.62 4.27 1m5hB1 PHE 1124 HB2 0.01 0.01 0.15 -0.04 3.15 3.28 1m5hB1 PHE 1124 HB3 0.02 0.07 0.05 -0.04 3.06 3.15 1m5hB1 PHE 1124 HD2 0.00 -0.01 -0.08 -0.04 7.28 7.16 1m5hB1 PHE 1124 HE2 -0.03 -0.03 -0.02 -0.04 7.38 7.27 1m5hB1 PHE 1124 HZ -0.03 -0.04 0.00 -0.04 7.32 7.20 1m5hB1 ALA 1125 H 0.05 0.42 -0.62 -0.55 8.40 7.70 1m5hB1 ALA 1125 HA 0.00 0.18 0.39 -0.75 4.34 4.15 1m5hB1 ALA 1125 HB3 0.04 -0.02 0.06 -0.04 1.41 1.45 1m5hB1 ASP 1126 H -0.03 0.70 -0.28 -0.55 8.40 8.25 1m5hB1 ASP 1126 HA -0.01 0.02 0.35 -0.75 4.63 4.23 1m5hB1 ASP 1126 HB2 -0.08 0.09 -0.11 -0.04 2.71 2.57 1m5hB1 ASP 1126 HB3 0.04 0.12 -0.05 -0.04 2.70 2.76 1m5hB1 GLY 1127 H -0.09 0.05 -0.14 -0.55 8.43 7.70 1m5hB1 GLY 1127 HA2 -0.14 -0.04 0.34 -0.51 4.01 3.66 1m5hB1 GLY 1127 HA3 -0.23 0.21 0.80 -0.51 4.01 4.28 1m5hB1 TYR 1128 H 0.10 0.43 -0.32 -0.55 8.29 7.95 1m5hB1 TYR 1128 HA -0.00 0.19 0.87 -0.75 4.56 4.87 1m5hB1 TYR 1128 HB2 -0.02 0.13 0.11 -0.04 3.06 3.24 1m5hB1 TYR 1128 HB3 0.00 -0.06 0.19 -0.04 2.98 3.07 1m5hB1 TYR 1128 HD2 -0.03 0.16 0.02 -0.04 7.15 7.26 1m5hB1 TYR 1128 HE2 -0.03 -0.03 0.00 -0.04 6.85 6.76 1m5hB1 GLN 1129 H 0.00 -0.10 -0.24 -0.55 8.47 7.59 1m5hB1 GLN 1129 HA 0.12 0.27 0.54 -0.75 4.36 4.54 1m5hB1 GLN 1129 HB2 0.07 -0.05 -0.13 -0.04 2.15 1.99 1m5hB1 GLN 1129 HB3 0.14 -0.01 0.05 -0.04 2.02 2.16 1m5hB1 GLN 1129 HG2 -0.45 0.03 -0.07 -0.04 2.40 1.87 1m5hB1 GLN 1129 HG3 -0.10 0.04 0.09 -0.04 2.39 2.38 1m5hB1 GLN 1129 HE21 -0.25 -0.01 -0.03 -0.04 6.97 6.63 1m5hB1 GLN 1129 HE22 -0.49 0.03 -0.08 -0.04 7.69 7.11 1m5hB1 LYS 1130 H 0.25 0.29 0.33 -0.55 8.42 8.74 1m5hB1 LYS 1130 HA 0.12 0.08 0.72 -0.75 4.32 4.49 1m5hB1 LYS 1130 HB2 0.07 -0.05 0.06 -0.04 1.87 1.90 1m5hB1 LYS 1130 HB3 0.04 0.01 0.05 -0.04 1.79 1.84 1m5hB1 LYS 1130 HG2 0.07 -0.02 -0.03 -0.04 1.46 1.44 1m5hB1 LYS 1130 HG3 0.10 0.21 -0.83 -0.04 1.46 0.91 1m5hB1 LYS 1130 HD2 0.07 -0.06 -0.05 -0.04 1.69 1.61 1m5hB1 LYS 1130 HD3 0.05 -0.07 -0.03 -0.04 1.68 1.59 1m5hB1 LYS 1130 HE2 0.09 -0.03 -0.02 -0.04 2.99 2.99 1m5hB1 LYS 1130 HE3 0.12 0.27 0.02 -0.04 2.99 3.36 1m5hB1 GLU 1131 H -0.06 0.13 0.16 -0.55 8.60 8.28 1m5hB1 GLU 1131 HA -0.59 0.26 0.86 -0.75 4.29 4.07 1m5hB1 GLU 1131 HB2 -0.23 -0.03 0.15 -0.04 2.09 1.93 1m5hB1 GLU 1131 HB3 -0.38 -0.01 -0.01 -0.04 1.99 1.55 1m5hB1 GLU 1131 HG2 -1.82 0.09 0.03 -0.04 2.34 0.61 1m5hB1 GLU 1131 HG3 -0.71 -0.03 -0.01 -0.04 2.34 1.55 1m5hB1 VAL 1132 H -0.29 0.58 0.22 -0.55 8.24 8.20 1m5hB1 VAL 1132 HA -0.09 0.10 0.64 -0.75 4.13 4.03 1m5hB1 VAL 1132 HB -0.05 -0.05 -0.21 -0.04 2.12 1.77 1m5hB1 VAL 1132 HG13 -0.02 -0.00 -0.21 -0.04 0.97 0.70 1m5hB1 VAL 1132 HG23 -0.03 0.00 -0.35 -0.04 0.95 0.53 1m5hB1 GLU 1133 H -0.06 0.18 0.12 -0.55 8.60 8.30 1m5hB1 GLU 1133 HA -0.05 0.34 0.93 -0.75 4.29 4.75 1m5hB1 GLU 1133 HB2 -0.06 -0.01 -0.02 -0.04 2.09 1.96 1m5hB1 GLU 1133 HB3 -0.04 -0.01 0.09 -0.04 1.99 1.99 1m5hB1 GLU 1133 HG2 -0.03 -0.20 -0.28 -0.04 2.34 1.79 1m5hB1 GLU 1133 HG3 -0.04 0.10 -0.37 -0.04 2.34 2.00 1m5hB1 VAL 1134 H 0.01 0.63 0.17 -0.55 8.24 8.50 1m5hB1 VAL 1134 HA -0.00 0.18 0.92 -0.75 4.13 4.48 1m5hB1 VAL 1134 HB 0.19 -0.04 -0.01 -0.04 2.12 2.22 1m5hB1 VAL 1134 HG13 0.02 0.01 -0.33 -0.04 0.97 0.62 1m5hB1 VAL 1134 HG23 0.08 0.01 -0.32 -0.04 0.95 0.67 1m5hB1 GLY 1135 H -0.04 0.20 0.10 -0.55 8.43 8.14 1m5hB1 GLY 1135 HA2 -0.05 0.04 0.36 -0.51 4.01 3.85 1m5hB1 GLY 1135 HA3 -0.11 0.22 0.52 -0.51 4.01 4.12 1m5hB1 GLY 1136 H -0.03 0.04 -0.32 -0.55 8.43 7.57 1m5hB1 GLY 1136 HA2 -0.02 -0.02 0.22 -0.51 4.01 3.68 1m5hB1 GLY 1136 HA3 -0.03 0.16 0.46 -0.51 4.01 4.09 1m5hB1 ARG 1137 H -0.03 0.46 -0.61 -0.55 8.46 7.73 1m5hB1 ARG 1137 HA 0.02 0.12 0.73 -0.75 4.34 4.46 1m5hB1 ARG 1137 HB2 0.10 0.02 0.09 -0.04 1.90 2.07 1m5hB1 ARG 1137 HB3 0.13 -0.08 0.05 -0.04 1.80 1.86 1m5hB1 ARG 1137 HG2 -0.08 0.21 -0.04 -0.04 1.67 1.73 1m5hB1 ARG 1137 HG3 -0.11 -0.07 0.05 -0.04 1.67 1.50 1m5hB1 ARG 1137 HD2 0.07 -0.11 0.08 -0.04 3.22 3.22 1m5hB1 ARG 1137 HD3 0.01 0.03 -0.08 -0.04 3.22 3.14 1m5hB1 LYS 1138 H 0.01 0.16 0.21 -0.55 8.42 8.25 1m5hB1 LYS 1138 HA -0.09 0.10 0.62 -0.75 4.32 4.20 1m5hB1 LYS 1138 HB2 -0.04 0.05 0.12 -0.04 1.87 1.96 1m5hB1 LYS 1138 HB3 -0.01 -0.08 0.25 -0.04 1.79 1.91 1m5hB1 LYS 1138 HG2 -0.22 0.06 -0.22 -0.04 1.46 1.04 1m5hB1 LYS 1138 HG3 -0.17 0.02 0.01 -0.04 1.46 1.28 1m5hB1 LYS 1138 HD2 -0.02 0.02 0.01 -0.04 1.69 1.66 1m5hB1 LYS 1138 HD3 0.03 -0.07 0.02 -0.04 1.68 1.61 1m5hB1 LYS 1138 HE2 -0.11 0.02 -0.03 -0.04 2.99 2.84 1m5hB1 LYS 1138 HE3 0.07 -0.01 -0.02 -0.04 2.99 2.99 1m5hB1 CYS 1139 H -0.18 0.54 0.36 -0.55 8.50 8.67 1m5hB1 CYS 1139 HA -0.07 0.09 1.12 -0.75 4.58 4.97 1m5hB1 CYS 1139 HB2 -0.04 0.10 -0.09 -0.04 2.97 2.89 1m5hB1 CYS 1139 HB3 -0.04 -0.03 -0.13 -0.04 2.97 2.73 1m5hB1 TRP 1140 H 0.08 0.48 0.29 -0.55 7.97 8.28 1m5hB1 TRP 1140 HA -0.03 0.25 1.02 -0.75 4.62 5.10 1m5hB1 TRP 1140 HB2 -0.07 0.03 0.04 -0.04 3.23 3.19 1m5hB1 TRP 1140 HB3 -0.06 0.02 -0.03 -0.04 3.23 3.12 1m5hB1 TRP 1140 HD1 0.01 0.06 -0.28 -0.04 7.22 6.96 1m5hB1 TRP 1140 HE1 0.17 -0.09 -0.12 -0.04 10.20 10.12 1m5hB1 TRP 1140 HE3 -0.07 0.01 -0.21 -0.04 7.59 7.28 1m5hB1 TRP 1140 HZ2 0.23 -0.04 -0.06 -0.04 7.44 7.54 1m5hB1 TRP 1140 HZ3 -0.07 0.01 -0.18 -0.04 7.13 6.85 1m5hB1 TRP 1140 HH2 0.02 -0.01 -0.06 -0.04 7.19 7.10 1m5hB1 ALA 1141 H 0.18 0.57 0.33 -0.55 8.40 8.92 1m5hB1 ALA 1141 HA 0.03 0.25 0.75 -0.75 4.34 4.62 1m5hB1 ALA 1141 HB3 0.05 -0.02 -0.03 -0.04 1.41 1.37 1m5hB1 VAL 1142 H 0.12 0.66 0.21 -0.55 8.24 8.67 1m5hB1 VAL 1142 HA 0.13 0.20 0.95 -0.75 4.13 4.66 1m5hB1 VAL 1142 HB 0.32 -0.05 0.17 -0.04 2.12 2.52 1m5hB1 VAL 1142 HG13 0.27 0.02 -0.16 -0.04 0.97 1.06 1m5hB1 VAL 1142 HG23 0.16 0.03 -0.15 -0.04 0.95 0.95 1m5hB1 PRO 1143 HA 0.05 0.13 0.50 -0.51 4.44 4.61 1m5hB1 PRO 1143 HB2 -0.06 0.03 -0.03 -0.04 2.28 2.18 1m5hB1 PRO 1143 HB3 0.01 -0.03 0.02 -0.04 2.02 1.98 1m5hB1 PRO 1143 HG2 0.00 0.03 0.12 -0.04 2.03 2.13 1m5hB1 PRO 1143 HG3 0.05 0.09 0.07 -0.04 2.03 2.19 1m5hB1 PRO 1143 HD2 0.11 0.03 0.14 -0.04 3.68 3.92 1m5hB1 PRO 1143 HD3 0.09 0.17 0.00 -0.04 3.65 3.88 1m5hB1 MET 1144 H 0.03 0.69 0.39 -0.55 8.47 9.03 1m5hB1 MET 1144 HA 0.02 0.14 0.62 -0.75 4.52 4.55 1m5hB1 MET 1144 HB2 0.08 -0.19 0.18 -0.04 2.15 2.18 1m5hB1 MET 1144 HB3 0.18 0.14 -0.08 -0.04 2.03 2.23 1m5hB1 MET 1144 HG2 0.09 0.19 0.04 -0.04 2.63 2.91 1m5hB1 MET 1144 HG3 0.03 -0.27 -0.12 -0.04 2.56 2.16 1m5hB1 MET 1144 HE3 -0.09 -0.02 -0.10 -0.04 2.10 1.85 1m5hB1 MET 1145 H 0.02 0.16 0.14 -0.55 8.47 8.24 1m5hB1 MET 1145 HA -0.02 0.09 0.36 -0.75 4.52 4.20 1m5hB1 MET 1145 HB2 -0.02 -0.01 0.14 -0.04 2.15 2.22 1m5hB1 MET 1145 HB3 -0.02 0.02 -0.00 -0.04 2.03 1.98 1m5hB1 MET 1145 HG2 -0.02 0.01 0.05 -0.04 2.63 2.64 1m5hB1 MET 1145 HG3 0.00 0.01 0.10 -0.04 2.56 2.63 1m5hB1 MET 1145 HE3 -0.01 0.01 0.02 -0.04 2.10 2.08 1m5hB1 GLU 1146 H -0.03 0.09 -0.11 -0.55 8.60 8.01 1m5hB1 GLU 1146 HA -0.04 0.09 0.49 -0.75 4.29 4.08 1m5hB1 GLU 1146 HB2 -0.09 -0.04 0.06 -0.04 2.09 1.98 1m5hB1 GLU 1146 HB3 -0.08 -0.00 0.04 -0.04 1.99 1.90 1m5hB1 GLU 1146 HG2 -0.03 0.03 -0.17 -0.04 2.34 2.13 1m5hB1 GLU 1146 HG3 -0.02 0.04 -0.59 -0.04 2.34 1.73 1m5hB1 GLY 1147 H 0.01 0.23 -0.31 -0.55 8.43 7.80 1m5hB1 GLY 1147 HA2 0.01 0.07 0.24 -0.51 4.01 3.81 1m5hB1 GLY 1147 HA3 0.02 0.09 0.63 -0.51 4.01 4.24 1m5hB1 ASP 1148 H 0.04 0.17 0.05 -0.55 8.40 8.12 1m5hB1 ASP 1148 HA 0.09 0.28 0.75 -0.75 4.63 4.99 1m5hB1 ASP 1148 HB2 0.05 -0.01 0.01 -0.04 2.71 2.71 1m5hB1 ASP 1148 HB3 0.06 -0.03 -0.24 -0.04 2.70 2.45 1m5hB1 PHE 1149 H 0.22 0.64 0.19 -0.55 8.34 8.84 1m5hB1 PHE 1149 HA -0.02 0.20 0.63 -0.75 4.62 4.68 1m5hB1 PHE 1149 HB2 -0.02 0.07 0.05 -0.04 3.15 3.21 1m5hB1 PHE 1149 HB3 0.02 -0.01 0.20 -0.04 3.06 3.22 1m5hB1 PHE 1149 HD2 -0.03 0.12 -0.08 -0.04 7.28 7.25 1m5hB1 PHE 1149 HE2 -0.07 -0.06 -0.29 -0.04 7.38 6.93 1m5hB1 PHE 1149 HZ -0.07 -0.09 -0.22 -0.04 7.32 6.90 1m5hB1 ILE 1150 H -0.20 0.29 0.25 -0.55 8.25 8.04 1m5hB1 ILE 1150 HA -0.21 0.38 0.95 -0.75 4.18 4.55 1m5hB1 ILE 1150 HB -0.19 -0.05 0.11 -0.04 1.89 1.72 1m5hB1 ILE 1150 HG12 -0.02 -0.01 -0.22 -0.04 1.49 1.19 1m5hB1 ILE 1150 HG13 -0.02 0.12 -0.12 -0.04 1.21 1.15 1m5hB1 ILE 1150 HG23 -0.07 -0.02 -0.20 -0.04 0.93 0.60 1m5hB1 ILE 1150 HD13 0.04 -0.01 -0.10 -0.04 0.88 0.77 1m5hB1 ILE 1151 H -0.23 0.55 0.33 -0.55 8.25 8.35 1m5hB1 ILE 1151 HA -0.50 0.21 0.95 -0.75 4.18 4.09 1m5hB1 ILE 1151 HB -0.86 0.03 -0.17 -0.04 1.89 0.85 1m5hB1 ILE 1151 HG12 0.00 0.14 -0.21 -0.04 1.49 1.38 1m5hB1 ILE 1151 HG13 -0.11 -0.01 0.03 -0.04 1.21 1.07 1m5hB1 ILE 1151 HG23 -0.08 0.02 -0.05 -0.04 0.93 0.77 1m5hB1 ILE 1151 HD13 0.12 -0.02 -0.16 -0.04 0.88 0.77 1m5hB1 GLU 1152 H -0.18 0.60 0.32 -0.55 8.60 8.79 1m5hB1 GLU 1152 HA 0.07 0.12 0.55 -0.75 4.29 4.27 1m5hB1 GLU 1152 HB2 0.18 0.01 0.27 -0.04 2.09 2.51 1m5hB1 GLU 1152 HB3 0.09 -0.01 0.14 -0.04 1.99 2.18 1m5hB1 GLU 1152 HG2 0.12 -0.13 0.14 -0.04 2.34 2.43 1m5hB1 GLU 1152 HG3 0.11 0.19 0.20 -0.04 2.34 2.80 1m5hB1 ASN 1153 H 0.13 0.61 0.39 -0.55 8.53 9.12 1m5hB1 ASN 1153 HA 0.43 0.03 0.30 -0.75 4.76 4.77 1m5hB1 ASN 1153 HB2 0.23 0.12 0.10 -0.04 2.88 3.28 1m5hB1 ASN 1153 HB3 0.18 -0.02 0.09 -0.04 2.79 3.01 1m5hB1 ASN 1153 HD21 0.26 0.01 0.01 -0.04 7.03 7.26 1m5hB1 ASN 1153 HD22 0.21 -0.02 -0.26 -0.04 7.74 7.63 1m5hB1 ASP 1154 H 0.13 0.18 -0.05 -0.55 8.40 8.11 1m5hB1 ASP 1154 HA 0.12 -0.04 0.82 -0.75 4.63 4.79 1m5hB1 ASP 1154 HB2 0.10 0.02 0.02 -0.04 2.71 2.81 1m5hB1 ASP 1154 HB3 0.11 -0.04 -0.08 -0.04 2.70 2.64 1m5hB1 ILE 1155 H 0.11 0.58 0.39 -0.55 8.25 8.78 1m5hB1 ILE 1155 HA 0.11 0.10 0.99 -0.75 4.18 4.62 1m5hB1 ILE 1155 HB 0.10 -0.08 0.11 -0.04 1.89 1.98 1m5hB1 ILE 1155 HG12 0.09 0.06 -0.11 -0.04 1.49 1.50 1m5hB1 ILE 1155 HG13 0.09 -0.11 -0.55 -0.04 1.21 0.61 1m5hB1 ILE 1155 HG23 0.11 0.04 -0.12 -0.04 0.93 0.92 1m5hB1 ILE 1155 HD13 0.07 0.01 -0.13 -0.04 0.88 0.78 1m5hB1 GLY 1156 H 0.10 0.05 0.21 -0.55 8.43 8.23 1m5hB1 GLY 1156 HA2 0.08 0.20 0.82 -0.51 4.01 4.60 1m5hB1 GLY 1156 HA3 0.05 0.18 0.44 -0.51 4.01 4.16 1m5hB1 TYR 1157 H -0.13 0.51 0.25 -0.55 8.29 8.37 1m5hB1 TYR 1157 HA 0.03 0.23 0.98 -0.75 4.56 5.05 1m5hB1 TYR 1157 HB2 0.03 0.01 -0.18 -0.04 3.06 2.88 1m5hB1 TYR 1157 HB3 0.03 -0.03 -0.24 -0.04 2.98 2.70 1m5hB1 TYR 1157 HD2 0.03 0.04 -0.25 -0.04 7.15 6.92 1m5hB1 TYR 1157 HE2 0.02 0.06 -0.16 -0.04 6.85 6.73 1m5hB1 THR 1158 H 0.14 0.68 0.39 -0.55 8.28 8.94 1m5hB1 THR 1158 HA -0.08 0.13 0.92 -0.75 4.39 4.61 1m5hB1 THR 1158 HB -0.02 -0.00 -0.09 -0.04 4.32 4.16 1m5hB1 THR 1158 HG23 0.03 0.03 -0.10 -0.04 1.22 1.14 1m5hB1 ASN 1159 H 0.02 0.17 0.21 -0.55 8.53 8.38 1m5hB1 ASN 1159 HA 0.08 0.11 0.87 -0.75 4.76 5.07 1m5hB1 ASN 1159 HB2 0.04 -0.02 0.28 -0.04 2.88 3.13 1m5hB1 ASN 1159 HB3 0.06 0.05 0.11 -0.04 2.79 2.98 1m5hB1 ASN 1159 HD21 0.05 -0.00 0.02 -0.04 7.03 7.06 1m5hB1 ASN 1159 HD22 0.03 0.00 0.10 -0.04 7.74 7.82 1m5hB1 GLY 1160 H 0.05 0.53 0.34 -0.55 8.43 8.80 1m5hB1 GLY 1160 HA2 -0.01 0.27 0.85 -0.51 4.01 4.60 1m5hB1 GLY 1160 HA3 0.01 -0.01 0.30 -0.51 4.01 3.80 1m5hB1 ILE 1161 H -0.04 0.65 0.29 -0.55 8.25 8.60 1m5hB1 ILE 1161 HA -0.11 0.28 1.11 -0.75 4.18 4.71 1m5hB1 ILE 1161 HB -0.11 -0.04 -0.04 -0.04 1.89 1.66 1m5hB1 ILE 1161 HG12 -0.84 0.08 -0.22 -0.04 1.49 0.46 1m5hB1 ILE 1161 HG13 -0.23 -0.04 -0.48 -0.04 1.21 0.41 1m5hB1 ILE 1161 HG23 -0.15 0.00 -0.16 -0.04 0.93 0.58 1m5hB1 ILE 1161 HD13 -0.26 -0.03 -0.21 -0.04 0.88 0.35 1m5hB1 ALA 1162 H 0.03 0.76 0.35 -0.55 8.40 8.99 1m5hB1 ALA 1162 HA 0.06 0.15 0.92 -0.75 4.34 4.71 1m5hB1 ALA 1162 HB3 0.09 0.01 -0.08 -0.04 1.41 1.38 1m5hB1 GLY 1163 H 0.10 0.19 0.05 -0.55 8.43 8.22 1m5hB1 GLY 1163 HA2 0.13 0.01 0.34 -0.51 4.01 3.98 1m5hB1 GLY 1163 HA3 0.17 0.09 0.71 -0.51 4.01 4.46 1m5hB1 GLY 1164 H 0.05 0.34 -0.07 -0.55 8.43 8.21 1m5hB1 GLY 1164 HA2 0.05 0.00 0.42 -0.51 4.01 3.97 1m5hB1 GLY 1164 HA3 0.05 0.07 0.29 -0.51 4.01 3.91 1m5hB1 ASN 1165 H 0.08 0.16 0.25 -0.55 8.53 8.46 1m5hB1 ASN 1165 HA 0.02 0.27 0.53 -0.75 4.76 4.82 1m5hB1 ASN 1165 HB2 0.02 -0.04 0.16 -0.04 2.88 2.98 1m5hB1 ASN 1165 HB3 0.04 0.14 -0.33 -0.04 2.79 2.60 1m5hB1 ASN 1165 HD21 0.02 0.09 0.14 -0.04 7.03 7.23 1m5hB1 ASN 1165 HD22 0.08 0.41 -0.06 -0.04 7.74 8.13 1m5hB1 PHE 1166 H -0.15 0.39 0.35 -0.55 8.34 8.38 1m5hB1 PHE 1166 HA -0.11 0.04 0.67 -0.75 4.62 4.47 1m5hB1 PHE 1166 HB2 0.03 0.13 0.24 -0.04 3.15 3.51 1m5hB1 PHE 1166 HB3 0.03 0.07 0.09 -0.04 3.06 3.21 1m5hB1 PHE 1166 HD2 0.07 0.02 -0.26 -0.04 7.28 7.07 1m5hB1 PHE 1166 HE2 0.06 0.03 -0.13 -0.04 7.38 7.31 1m5hB1 PHE 1166 HZ 0.05 0.01 -0.17 -0.04 7.32 7.18 1m5hB1 PHE 1167 H 0.18 0.70 0.25 -0.55 8.34 8.92 1m5hB1 PHE 1167 HA -0.04 0.22 1.06 -0.75 4.62 5.11 1m5hB1 PHE 1167 HB2 0.04 -0.10 -0.11 -0.04 3.15 2.94 1m5hB1 PHE 1167 HB3 0.01 0.07 -0.11 -0.04 3.06 2.99 1m5hB1 PHE 1167 HD2 -0.22 0.08 -0.50 -0.04 7.28 6.59 1m5hB1 PHE 1167 HE2 -0.90 0.01 -0.13 -0.04 7.38 6.32 1m5hB1 PHE 1167 HZ -0.40 -0.01 -0.07 -0.04 7.32 6.80 1m5hB1 ILE 1168 H 0.16 0.61 0.36 -0.55 8.25 8.83 1m5hB1 ILE 1168 HA 0.20 0.22 1.06 -0.75 4.18 4.91 1m5hB1 ILE 1168 HB 0.18 -0.02 0.23 -0.04 1.89 2.23 1m5hB1 ILE 1168 HG12 0.33 0.05 -0.12 -0.04 1.49 1.71 1m5hB1 ILE 1168 HG13 0.32 -0.06 -0.29 -0.04 1.21 1.14 1m5hB1 ILE 1168 HG23 0.14 -0.01 -0.13 -0.04 0.93 0.89 1m5hB1 ILE 1168 HD13 0.23 -0.01 -0.19 -0.04 0.88 0.87 1m5hB1 MET 1169 H 0.12 0.75 0.41 -0.55 8.47 9.20 1m5hB1 MET 1169 HA 0.07 0.26 1.14 -0.75 4.52 5.24 1m5hB1 MET 1169 HB2 0.08 0.03 0.20 -0.04 2.15 2.42 1m5hB1 MET 1169 HB3 0.06 -0.01 0.02 -0.04 2.03 2.05 1m5hB1 MET 1169 HG2 0.11 0.03 -0.09 -0.04 2.63 2.65 1m5hB1 MET 1169 HG3 0.18 -0.07 -0.27 -0.04 2.56 2.36 1m5hB1 MET 1169 HE3 0.32 0.02 -0.12 -0.04 2.10 2.28 1m5hB1 ALA 1170 H 0.05 0.60 0.38 -0.55 8.40 8.88 1m5hB1 ALA 1170 HA 0.04 0.14 1.03 -0.75 4.34 4.79 1m5hB1 ALA 1170 HB3 0.06 -0.00 -0.16 -0.04 1.41 1.27 1m5hB1 GLU 1171 H 0.03 0.52 0.29 -0.55 8.60 8.89 1m5hB1 GLU 1171 HA 0.01 0.25 0.65 -0.75 4.29 4.45 1m5hB1 GLU 1171 HB2 0.02 -0.06 0.18 -0.04 2.09 2.18 1m5hB1 GLU 1171 HB3 0.01 0.01 0.14 -0.04 1.99 2.11 1m5hB1 GLU 1171 HG2 0.01 0.07 0.05 -0.04 2.34 2.43 1m5hB1 GLU 1171 HG3 0.01 0.14 0.13 -0.04 2.34 2.58 1m5hB1 THR 1172 H 0.03 0.12 -0.02 -0.55 8.28 7.86 1m5hB1 THR 1172 HA 0.02 0.27 0.82 -0.75 4.39 4.75 1m5hB1 THR 1172 HB 0.03 -0.00 0.13 -0.04 4.32 4.43 1m5hB1 THR 1172 HG23 0.02 0.03 -0.16 -0.04 1.22 1.07 1m5hB1 GLN 1173 H 0.04 0.22 0.11 -0.55 8.47 8.29 1m5hB1 GLN 1173 HA 0.10 0.07 0.35 -0.75 4.36 4.13 1m5hB1 GLN 1173 HB2 0.04 0.06 0.12 -0.04 2.15 2.33 1m5hB1 GLN 1173 HB3 0.06 0.04 0.11 -0.04 2.02 2.19 1m5hB1 GLN 1173 HG2 0.20 -0.03 -0.13 -0.04 2.40 2.39 1m5hB1 GLN 1173 HG3 0.11 0.02 0.05 -0.04 2.39 2.52 1m5hB1 GLN 1173 HE21 0.05 0.01 0.01 -0.04 6.97 7.00 1m5hB1 GLN 1173 HE22 0.06 -0.02 -0.02 -0.04 7.69 7.67 1m5hB1 PRO 1174 HA 0.04 0.09 0.43 -0.51 4.44 4.49 1m5hB1 PRO 1174 HB2 0.03 0.04 -0.02 -0.04 2.28 2.29 1m5hB1 PRO 1174 HB3 0.02 0.08 0.05 -0.04 2.02 2.13 1m5hB1 PRO 1174 HG2 0.03 0.09 0.04 -0.04 2.03 2.14 1m5hB1 PRO 1174 HG3 0.03 0.07 0.03 -0.04 2.03 2.13 1m5hB1 PRO 1174 HD2 0.04 0.04 0.02 -0.04 3.68 3.74 1m5hB1 PRO 1174 HD3 0.05 0.09 0.15 -0.04 3.65 3.90 1m5hB1 SER 1175 H 0.05 0.09 -0.40 -0.55 8.46 7.65 1m5hB1 SER 1175 HA 0.03 0.14 0.42 -0.75 4.49 4.33 1m5hB1 SER 1175 HB2 0.04 -0.11 0.12 -0.04 3.95 3.96 1m5hB1 SER 1175 HB3 0.04 0.02 -0.12 -0.04 3.93 3.83 1m5hB1 ALA 1176 H 0.11 0.43 -0.14 -0.55 8.40 8.25 1m5hB1 ALA 1176 HA 0.12 0.06 0.27 -0.75 4.34 4.04 1m5hB1 ALA 1176 HB3 0.26 0.02 -0.08 -0.04 1.41 1.56 1m5hB1 LEU 1177 H 0.10 0.48 -0.27 -0.55 8.37 8.14 1m5hB1 LEU 1177 HA -0.54 0.04 0.42 -0.75 4.35 3.51 1m5hB1 LEU 1177 HB2 -0.17 0.02 0.04 -0.04 1.64 1.49 1m5hB1 LEU 1177 HB3 -0.05 0.05 0.11 -0.04 1.64 1.71 1m5hB1 LEU 1177 HG -0.13 0.01 -0.23 -0.04 1.64 1.25 1m5hB1 LEU 1177 HD13 -0.48 -0.01 0.01 -0.04 0.93 0.40 1m5hB1 LEU 1177 HD23 -0.05 -0.01 -0.05 -0.04 0.89 0.74 1m5hB1 ALA 1178 H -0.01 0.62 -0.09 -0.55 8.40 8.38 1m5hB1 ALA 1178 HA -0.03 0.01 0.44 -0.75 4.34 4.00 1m5hB1 ALA 1178 HB3 0.00 0.03 0.10 -0.04 1.41 1.50 1m5hB1 ALA 1179 H 0.02 0.42 -0.34 -0.55 8.40 7.94 1m5hB1 ALA 1179 HA 0.04 0.09 0.47 -0.75 4.34 4.19 1m5hB1 ALA 1179 HB3 0.07 0.03 0.08 -0.04 1.41 1.55 1m5hB1 ALA 1180 H -0.02 0.44 -0.18 -0.55 8.40 8.09 1m5hB1 ALA 1180 HA 0.06 0.02 0.40 -0.75 4.34 4.07 1m5hB1 ALA 1180 HB3 -0.12 0.03 0.03 -0.04 1.41 1.31 1m5hB1 LYS 1181 H -0.06 0.61 -0.15 -0.55 8.42 8.27 1m5hB1 LYS 1181 HA -0.02 0.05 0.40 -0.75 4.32 4.00 1m5hB1 LYS 1181 HB2 -0.05 -0.01 0.09 -0.04 1.87 1.86 1m5hB1 LYS 1181 HB3 -0.03 0.11 0.13 -0.04 1.79 1.95 1m5hB1 LYS 1181 HG2 -0.02 -0.04 -0.02 -0.04 1.46 1.34 1m5hB1 LYS 1181 HG3 -0.01 -0.00 -0.19 -0.04 1.46 1.22 1m5hB1 LYS 1181 HD2 -0.00 0.01 0.11 -0.04 1.69 1.77 1m5hB1 LYS 1181 HD3 -0.02 -0.01 0.03 -0.04 1.68 1.65 1m5hB1 LYS 1181 HE2 0.00 -0.02 0.00 -0.04 2.99 2.93 1m5hB1 LYS 1181 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 1m5hB1 ALA 1182 H 0.01 0.45 -0.36 -0.55 8.40 7.96 1m5hB1 ALA 1182 HA 0.02 -0.01 0.43 -0.75 4.34 4.03 1m5hB1 ALA 1182 HB3 0.03 0.05 0.02 -0.04 1.41 1.47 1m5hB1 ALA 1183 H 0.08 0.46 -0.23 -0.55 8.40 8.16 1m5hB1 ALA 1183 HA 0.11 0.01 0.50 -0.75 4.34 4.21 1m5hB1 ALA 1183 HB3 0.27 0.02 0.10 -0.04 1.41 1.76 1m5hB1 VAL 1184 H 0.05 0.55 -0.13 -0.55 8.24 8.16 1m5hB1 VAL 1184 HA 0.06 0.01 0.38 -0.75 4.13 3.83 1m5hB1 VAL 1184 HB 0.02 0.04 0.15 -0.04 2.12 2.30 1m5hB1 VAL 1184 HG13 0.04 0.02 -0.10 -0.04 0.97 0.89 1m5hB1 VAL 1184 HG23 0.01 0.11 -0.01 -0.04 0.95 1.01 1m5hB1 ASP 1185 H 0.04 0.50 -0.20 -0.55 8.40 8.19 1m5hB1 ASP 1185 HA 0.03 0.01 0.39 -0.75 4.63 4.31 1m5hB1 ASP 1185 HB2 0.03 0.18 0.18 -0.04 2.71 3.05 1m5hB1 ASP 1185 HB3 0.02 -0.05 -0.04 -0.04 2.70 2.59 1m5hB1 ALA 1186 H 0.05 0.50 -0.16 -0.55 8.40 8.25 1m5hB1 ALA 1186 HA 0.04 -0.01 0.42 -0.75 4.34 4.03 1m5hB1 ALA 1186 HB3 0.05 0.01 0.05 -0.04 1.41 1.49 1m5hB1 ILE 1187 H 0.07 0.74 -0.12 -0.55 8.25 8.39 1m5hB1 ILE 1187 HA 0.06 -0.07 0.33 -0.75 4.18 3.75 1m5hB1 ILE 1187 HB 0.08 0.13 0.08 -0.04 1.89 2.14 1m5hB1 ILE 1187 HG12 0.11 -0.04 0.05 -0.04 1.49 1.57 1m5hB1 ILE 1187 HG13 0.12 0.13 0.07 -0.04 1.21 1.49 1m5hB1 ILE 1187 HG23 0.08 -0.03 -0.08 -0.04 0.93 0.86 1m5hB1 ILE 1187 HD13 0.21 -0.04 -0.14 -0.04 0.88 0.87 1m5hB1 SER 1188 H 0.05 0.34 -0.66 -0.55 8.46 7.64 1m5hB1 SER 1188 HA 0.07 0.12 0.47 -0.75 4.49 4.40 1m5hB1 SER 1188 HB2 0.07 -0.09 0.14 -0.04 3.95 4.03 1m5hB1 SER 1188 HB3 0.06 0.06 0.12 -0.04 3.93 4.13 1m5hB1 ASP 1189 H 0.05 0.45 -0.31 -0.55 8.40 8.04 1m5hB1 ASP 1189 HA 0.05 0.07 0.71 -0.75 4.63 4.70 1m5hB1 ASP 1189 HB2 0.03 0.12 0.06 -0.04 2.71 2.88 1m5hB1 ASP 1189 HB3 0.03 -0.11 0.11 -0.04 2.70 2.69 1m5hB1 VAL 1190 H 0.05 0.37 -0.29 -0.55 8.24 7.81 1m5hB1 VAL 1190 HA 0.02 0.00 0.60 -0.75 4.13 4.00 1m5hB1 VAL 1190 HB 0.04 0.15 0.09 -0.04 2.12 2.36 1m5hB1 VAL 1190 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.77 1m5hB1 VAL 1190 HG23 0.04 -0.00 -0.05 -0.04 0.95 0.89 1m5hB1 GLU 1191 H 0.01 0.09 0.16 -0.55 8.60 8.31 1m5hB1 GLU 1191 HA 0.01 0.14 0.48 -0.75 4.29 4.16 1m5hB1 GLU 1191 HB2 -0.00 0.08 0.08 -0.04 2.09 2.21 1m5hB1 GLU 1191 HB3 -0.01 -0.04 0.12 -0.04 1.99 2.01 1m5hB1 GLU 1191 HG2 -0.04 -0.05 -0.22 -0.04 2.34 1.99 1m5hB1 GLU 1191 HG3 -0.06 -0.03 0.03 -0.04 2.34 2.24 1m5hB1 GLY 1192 H -0.00 0.19 0.14 -0.55 8.43 8.21 1m5hB1 GLY 1192 HA2 -0.01 -0.01 0.32 -0.51 4.01 3.80 1m5hB1 GLY 1192 HA3 -0.00 0.03 0.58 -0.51 4.01 4.11 1m5hB1 VAL 1193 H 0.03 0.34 -0.17 -0.55 8.24 7.90 1m5hB1 VAL 1193 HA 0.04 0.22 1.12 -0.75 4.13 4.75 1m5hB1 VAL 1193 HB 0.04 0.14 -0.13 -0.04 2.12 2.14 1m5hB1 VAL 1193 HG13 0.05 0.01 -0.14 -0.04 0.97 0.85 1m5hB1 VAL 1193 HG23 0.03 -0.02 -0.41 -0.04 0.95 0.50 1m5hB1 ILE 1194 H 0.05 0.56 0.32 -0.55 8.25 8.62 1m5hB1 ILE 1194 HA 0.06 0.30 0.58 -0.75 4.18 4.36 1m5hB1 ILE 1194 HB 0.05 0.02 -0.25 -0.04 1.89 1.67 1m5hB1 ILE 1194 HG12 0.05 -0.01 -0.20 -0.04 1.49 1.28 1m5hB1 ILE 1194 HG13 0.06 -0.10 -0.19 -0.04 1.21 0.94 1m5hB1 ILE 1194 HG23 0.06 0.01 -0.48 -0.04 0.93 0.48 1m5hB1 ILE 1194 HD13 0.04 0.01 -0.36 -0.04 0.88 0.52 1m5hB1 THR 1195 H 0.06 0.29 0.04 -0.55 8.28 8.12 1m5hB1 THR 1195 HA 0.08 0.35 0.97 -0.75 4.39 5.04 1m5hB1 THR 1195 HB 0.07 0.03 0.22 -0.04 4.32 4.60 1m5hB1 THR 1195 HG23 0.05 0.02 -0.07 -0.04 1.22 1.17 1m5hB1 PRO 1196 HA 0.04 0.28 0.56 -0.51 4.44 4.80 1m5hB1 PRO 1196 HB2 0.13 0.02 0.08 -0.04 2.28 2.47 1m5hB1 PRO 1196 HB3 0.01 0.10 0.16 -0.04 2.02 2.25 1m5hB1 PRO 1196 HG2 0.11 -0.10 -0.05 -0.04 2.03 1.95 1m5hB1 PRO 1196 HG3 0.06 0.02 -0.16 -0.04 2.03 1.92 1m5hB1 PRO 1196 HD2 0.18 0.08 0.10 -0.04 3.68 3.99 1m5hB1 PRO 1196 HD3 0.09 0.33 0.03 -0.04 3.65 4.06 1m5hB1 PHE 1197 H 0.41 0.05 -0.19 -0.55 8.34 8.05 1m5hB1 PHE 1197 HA 0.02 0.06 0.50 -0.75 4.62 4.45 1m5hB1 PHE 1197 HB2 0.01 -0.03 -0.34 -0.04 3.15 2.74 1m5hB1 PHE 1197 HB3 0.02 0.28 -0.11 -0.04 3.06 3.21 1m5hB1 PHE 1197 HD2 0.02 0.02 0.02 -0.04 7.28 7.30 1m5hB1 PHE 1197 HE2 0.02 -0.02 -0.02 -0.04 7.38 7.31 1m5hB1 PHE 1197 HZ 0.02 -0.05 -0.10 -0.04 7.32 7.15 1m5hB1 PRO 1198 HA 0.05 0.06 0.58 -0.51 4.44 4.62 1m5hB1 PRO 1198 HB2 0.06 0.04 0.08 -0.04 2.28 2.42 1m5hB1 PRO 1198 HB3 0.04 0.02 0.16 -0.04 2.02 2.19 1m5hB1 PRO 1198 HG2 0.15 0.14 0.23 -0.04 2.03 2.51 1m5hB1 PRO 1198 HG3 0.09 -0.00 0.15 -0.04 2.03 2.22 1m5hB1 PRO 1198 HD2 0.26 0.04 0.25 -0.04 3.68 4.19 1m5hB1 PRO 1198 HD3 -0.05 0.09 0.20 -0.04 3.65 3.85 1m5hB1 GLY 1199 H 0.06 0.21 0.25 -0.55 8.43 8.40 1m5hB1 GLY 1199 HA2 0.05 0.03 0.36 -0.51 4.01 3.94 1m5hB1 GLY 1199 HA3 0.03 0.06 0.49 -0.51 4.01 4.08 1m5hB1 GLY 1200 H 0.09 0.55 -0.58 -0.55 8.43 7.94 1m5hB1 GLY 1200 HA2 0.10 0.14 0.11 -0.51 4.01 3.85 1m5hB1 GLY 1200 HA3 0.06 0.07 0.45 -0.51 4.01 4.07 1m5hB1 ILE 1201 H 0.08 0.44 -0.61 -0.55 8.25 7.62 1m5hB1 ILE 1201 HA -0.02 0.22 1.05 -0.75 4.18 4.67 1m5hB1 ILE 1201 HB -0.02 0.03 -0.04 -0.04 1.89 1.82 1m5hB1 ILE 1201 HG12 -0.06 0.04 -0.30 -0.04 1.49 1.13 1m5hB1 ILE 1201 HG13 -0.02 0.16 -0.48 -0.04 1.21 0.83 1m5hB1 ILE 1201 HG23 -0.10 -0.03 -0.27 -0.04 0.93 0.49 1m5hB1 ILE 1201 HD13 -0.14 -0.03 -0.16 -0.04 0.88 0.52 1m5hB1 VAL 1202 H -0.12 0.91 0.38 -0.55 8.24 8.86 1m5hB1 VAL 1202 HA -0.11 0.05 0.83 -0.75 4.13 4.14 1m5hB1 VAL 1202 HB -0.32 0.03 0.19 -0.04 2.12 1.98 1m5hB1 VAL 1202 HG13 -0.36 -0.01 -0.08 -0.04 0.97 0.47 1m5hB1 VAL 1202 HG23 -1.31 0.00 -0.07 -0.04 0.95 -0.46 1m5hB1 ALA 1203 H 0.10 0.16 0.20 -0.55 8.40 8.32 1m5hB1 ALA 1203 HA 0.13 0.23 0.83 -0.75 4.34 4.78 1m5hB1 ALA 1203 HB3 0.19 0.01 0.08 -0.04 1.41 1.65 1m5hB1 SER 1204 H -0.01 -0.10 0.00 -0.55 8.46 7.80 1m5hB1 SER 1204 HA -0.05 0.25 0.89 -0.75 4.49 4.83 1m5hB1 SER 1204 HB2 0.02 0.11 -0.05 -0.04 3.95 3.99 1m5hB1 SER 1204 HB3 0.04 0.02 0.02 -0.04 3.93 3.96 1m5hB1 GLY 1205 H -0.09 -0.04 -0.01 -0.55 8.43 7.75 1m5hB1 GLY 1205 HA2 -0.17 -0.03 0.33 -0.51 4.01 3.63 1m5hB1 GLY 1205 HA3 -0.22 0.20 0.48 -0.51 4.01 3.96 1m5hB1 SER 1206 H -0.01 0.20 0.13 -0.55 8.46 8.23 1m5hB1 SER 1206 HA 0.03 0.16 0.78 -0.75 4.49 4.71 1m5hB1 SER 1206 HB2 0.05 -0.03 -0.35 -0.04 3.95 3.57 1m5hB1 SER 1206 HB3 0.07 -0.06 -0.12 -0.04 3.93 3.78 1m5hB1 LYS 1207 H 0.07 0.60 0.21 -0.55 8.42 8.75 1m5hB1 LYS 1207 HA 0.21 0.15 0.84 -0.75 4.32 4.76 1m5hB1 LYS 1207 HB2 0.12 -0.05 0.01 -0.04 1.87 1.91 1m5hB1 LYS 1207 HB3 0.09 -0.05 -0.15 -0.04 1.79 1.64 1m5hB1 LYS 1207 HG2 0.05 0.17 -0.27 -0.04 1.46 1.38 1m5hB1 LYS 1207 HG3 0.06 0.04 -0.46 -0.04 1.46 1.05 1m5hB1 LYS 1207 HD2 0.06 -0.01 -0.14 -0.04 1.69 1.56 1m5hB1 LYS 1207 HD3 0.05 -0.08 -0.05 -0.04 1.68 1.56 1m5hB1 LYS 1207 HE2 0.01 -0.05 -0.26 -0.04 2.99 2.66 1m5hB1 LYS 1207 HE3 0.01 -0.04 -0.07 -0.04 2.99 2.85 1m5hB1 VAL 1208 H 0.19 0.08 0.07 -0.55 8.24 8.04 1m5hB1 VAL 1208 HA 0.01 0.07 0.32 -0.75 4.13 3.78 1m5hB1 VAL 1208 HB 0.02 0.09 0.04 -0.04 2.12 2.22 1m5hB1 VAL 1208 HG13 0.06 0.01 0.07 -0.04 0.97 1.06 1m5hB1 VAL 1208 HG23 0.08 -0.17 0.02 -0.04 0.95 0.83 1m5hB1 GLY 1209 H 0.03 -0.04 -0.12 -0.55 8.43 7.76 1m5hB1 GLY 1209 HA2 0.00 0.33 0.54 -0.51 4.01 4.38 1m5hB1 GLY 1209 HA3 0.00 -0.03 0.29 -0.51 4.01 3.76 1m5hB1 ALA 1210 H -0.02 0.29 0.01 -0.55 8.40 8.13 1m5hB1 ALA 1210 HA -0.02 0.04 0.39 -0.75 4.34 4.00 1m5hB1 ALA 1210 HB3 -0.06 0.08 -0.17 -0.04 1.41 1.22 1m5hB1 ASN 1211 H -0.07 0.15 0.08 -0.55 8.53 8.15 1m5hB1 ASN 1211 HA -0.05 0.15 0.46 -0.75 4.76 4.56 1m5hB1 ASN 1211 HB2 -0.09 -0.03 0.08 -0.04 2.88 2.80 1m5hB1 ASN 1211 HB3 -0.06 0.07 0.02 -0.04 2.79 2.78 1m5hB1 ASN 1211 HD21 -0.01 -0.00 -0.01 -0.04 7.03 6.97 1m5hB1 ASN 1211 HD22 -0.04 0.01 0.03 -0.04 7.74 7.70 1m5hB1 LYS 1212 H -0.25 -0.02 -0.04 -0.55 8.42 7.56 1m5hB1 LYS 1212 HA -0.21 0.29 0.90 -0.75 4.32 4.54 1m5hB1 LYS 1212 HB2 -0.29 0.01 -0.02 -0.04 1.87 1.53 1m5hB1 LYS 1212 HB3 -0.73 -0.03 0.02 -0.04 1.79 1.01 1m5hB1 LYS 1212 HG2 -0.69 0.00 0.01 -0.04 1.46 0.74 1m5hB1 LYS 1212 HG3 -0.24 0.04 0.09 -0.04 1.46 1.31 1m5hB1 LYS 1212 HD2 -0.20 0.01 -0.00 -0.04 1.69 1.46 1m5hB1 LYS 1212 HD3 -0.48 -0.02 -0.02 -0.04 1.68 1.12 1m5hB1 LYS 1212 HE2 0.03 -0.01 -0.00 -0.04 2.99 2.97 1m5hB1 LYS 1212 HE3 -0.05 0.01 0.01 -0.04 2.99 2.93 1m5hB1 TYR 1213 H -0.24 0.00 -0.27 -0.55 8.29 7.23 1m5hB1 TYR 1213 HA -0.38 0.24 0.88 -0.75 4.56 4.55 1m5hB1 TYR 1213 HB2 -0.41 -0.01 0.15 -0.04 3.06 2.74 1m5hB1 TYR 1213 HB3 -1.39 0.00 0.08 -0.04 2.98 1.62 1m5hB1 TYR 1213 HD2 -0.09 0.04 0.01 -0.04 7.15 7.07 1m5hB1 TYR 1213 HE2 0.03 0.02 -0.02 -0.04 6.85 6.83 1m5hB1 LYS 1214 H -0.10 0.25 -0.10 -0.55 8.42 7.91 1m5hB1 LYS 1214 HA -0.07 0.12 0.37 -0.75 4.32 3.98 1m5hB1 LYS 1214 HB2 -0.00 -0.01 0.05 -0.04 1.87 1.87 1m5hB1 LYS 1214 HB3 0.02 0.04 0.04 -0.04 1.79 1.85 1m5hB1 LYS 1214 HG2 -0.00 0.00 0.01 -0.04 1.46 1.43 1m5hB1 LYS 1214 HG3 -0.01 -0.00 0.06 -0.04 1.46 1.47 1m5hB1 LYS 1214 HD2 -0.06 0.08 -0.16 -0.04 1.69 1.51 1m5hB1 LYS 1214 HD3 -0.05 -0.03 -0.14 -0.04 1.68 1.42 1m5hB1 LYS 1214 HE2 -0.04 0.08 0.07 -0.04 2.99 3.06 1m5hB1 LYS 1214 HE3 -0.02 -0.04 0.01 -0.04 2.99 2.90 1m5hB1 PHE 1215 H -0.57 -0.02 -0.57 -0.55 8.34 6.63 1m5hB1 PHE 1215 HA 0.03 0.18 0.65 -0.75 4.62 4.72 1m5hB1 PHE 1215 HB2 0.01 0.03 0.07 -0.04 3.15 3.21 1m5hB1 PHE 1215 HB3 0.03 -0.01 0.01 -0.04 3.06 3.04 1m5hB1 PHE 1215 HD2 0.02 0.02 -0.23 -0.04 7.28 7.05 1m5hB1 PHE 1215 HE2 -0.04 0.02 -0.03 -0.04 7.38 7.28 1m5hB1 PHE 1215 HZ -0.39 0.01 -0.02 -0.04 7.32 6.88 1m5hB1 LEU 1216 H -0.23 0.29 -0.19 -0.55 8.37 7.70 1m5hB1 LEU 1216 HA 0.15 0.07 0.56 -0.75 4.35 4.38 1m5hB1 LEU 1216 HB2 -0.06 0.07 -0.05 -0.04 1.64 1.57 1m5hB1 LEU 1216 HB3 0.03 0.06 0.02 -0.04 1.64 1.71 1m5hB1 LEU 1216 HG -0.33 -0.10 0.01 -0.04 1.64 1.18 1m5hB1 LEU 1216 HD13 0.05 0.00 0.03 -0.04 0.93 0.97 1m5hB1 LEU 1216 HD23 0.18 0.02 0.02 -0.04 0.89 1.06 1m5hB1 LYS 1217 H 0.05 0.12 0.19 -0.55 8.42 8.23 1m5hB1 LYS 1217 HA 0.02 0.14 0.65 -0.75 4.32 4.37 1m5hB1 LYS 1217 HB2 0.02 -0.02 0.03 -0.04 1.87 1.85 1m5hB1 LYS 1217 HB3 0.00 -0.02 0.13 -0.04 1.79 1.86 1m5hB1 LYS 1217 HG2 0.05 -0.04 0.09 -0.04 1.46 1.52 1m5hB1 LYS 1217 HG3 0.02 0.04 0.05 -0.04 1.46 1.53 1m5hB1 LYS 1217 HD2 0.04 0.07 -0.31 -0.04 1.69 1.45 1m5hB1 LYS 1217 HD3 0.04 0.02 -0.03 -0.04 1.68 1.67 1m5hB1 LYS 1217 HE2 0.00 -0.01 0.01 -0.04 2.99 2.96 1m5hB1 LYS 1217 HE3 -0.00 -0.01 0.03 -0.04 2.99 2.96 1m5hB1 ALA 1218 H 0.03 0.04 -0.02 -0.55 8.40 7.90 1m5hB1 ALA 1218 HA 0.03 0.60 0.52 -0.75 4.34 4.74 1m5hB1 ALA 1218 HB3 0.04 -0.03 -0.04 -0.04 1.41 1.34 1m5hB1 SER 1219 H 0.04 0.41 0.24 -0.55 8.46 8.60 1m5hB1 SER 1219 HA 0.05 0.12 0.77 -0.75 4.49 4.67 1m5hB1 SER 1219 HB2 0.04 -0.13 0.18 -0.04 3.95 4.00 1m5hB1 SER 1219 HB3 0.04 0.03 -0.05 -0.04 3.93 3.90 1m5hB1 THR 1220 H 0.04 0.10 0.14 -0.55 8.28 8.01 1m5hB1 THR 1220 HA 0.02 0.26 0.40 -0.75 4.39 4.32 1m5hB1 THR 1220 HB 0.03 0.03 0.10 -0.04 4.32 4.43 1m5hB1 THR 1220 HG23 0.03 -0.04 -0.03 -0.04 1.22 1.14 1m5hB1 ASN 1221 H 0.02 0.41 -0.07 -0.55 8.53 8.34 1m5hB1 ASN 1221 HA 0.07 0.07 0.51 -0.75 4.76 4.66 1m5hB1 ASN 1221 HB2 0.02 0.02 -0.30 -0.04 2.88 2.58 1m5hB1 ASN 1221 HB3 0.04 0.06 0.00 -0.04 2.79 2.85 1m5hB1 ASN 1221 HD21 0.07 0.01 -0.08 -0.04 7.03 6.99 1m5hB1 ASN 1221 HD22 -0.07 0.04 -0.10 -0.04 7.74 7.57 1m5hB1 GLU 1222 H 0.04 0.35 -0.04 -0.55 8.60 8.40 1m5hB1 GLU 1222 HA 0.02 0.09 0.22 -0.75 4.29 3.87 1m5hB1 GLU 1222 HB2 -0.00 0.06 -0.01 -0.04 2.09 2.10 1m5hB1 GLU 1222 HB3 0.01 0.04 0.04 -0.04 1.99 2.03 1m5hB1 GLU 1222 HG2 0.01 -0.06 -0.12 -0.04 2.34 2.14 1m5hB1 GLU 1222 HG3 -0.01 0.03 -0.09 -0.04 2.34 2.23 1m5hB1 LYS 1223 H 0.08 0.08 -0.39 -0.55 8.42 7.63 1m5hB1 LYS 1223 HA -0.08 0.09 0.33 -0.75 4.32 3.90 1m5hB1 LYS 1223 HB2 0.10 -0.00 -0.09 -0.04 1.87 1.84 1m5hB1 LYS 1223 HB3 -0.20 0.09 -0.01 -0.04 1.79 1.63 1m5hB1 LYS 1223 HG2 -0.05 -0.03 -0.36 -0.04 1.46 0.98 1m5hB1 LYS 1223 HG3 0.01 -0.10 -0.12 -0.04 1.46 1.21 1m5hB1 LYS 1223 HD2 0.05 -0.03 -0.07 -0.04 1.69 1.59 1m5hB1 LYS 1223 HD3 -0.02 0.17 -0.09 -0.04 1.68 1.70 1m5hB1 LYS 1223 HE2 -0.01 -0.04 -0.06 -0.04 2.99 2.83 1m5hB1 LYS 1223 HE3 0.01 -0.06 -0.07 -0.04 2.99 2.83 1m5hB1 PHE 1224 H 0.16 0.47 -0.62 -0.55 8.34 7.80 1m5hB1 PHE 1224 HA -0.02 0.17 0.69 -0.75 4.62 4.71 1m5hB1 PHE 1224 HB2 -0.07 0.04 -0.06 -0.04 3.15 3.02 1m5hB1 PHE 1224 HB3 -0.11 -0.00 0.07 -0.04 3.06 2.97 1m5hB1 PHE 1224 HD2 0.08 -0.06 -0.22 -0.04 7.28 7.04 1m5hB1 PHE 1224 HE2 0.11 -0.01 -0.10 -0.04 7.38 7.34 1m5hB1 PHE 1224 HZ 0.02 0.01 -0.04 -0.04 7.32 7.27 1m5hB1 ALA 1225 H 0.00 0.40 -0.22 -0.55 8.40 8.04 1m5hB1 ALA 1225 HA -0.02 0.23 0.81 -0.75 4.34 4.61 1m5hB1 ALA 1225 HB3 -0.01 0.00 0.02 -0.04 1.41 1.39 1m5hB1 PRO 1226 HA -0.03 0.10 0.35 -0.51 4.44 4.34 1m5hB1 PRO 1226 HB2 -0.03 0.10 0.01 -0.04 2.28 2.32 1m5hB1 PRO 1226 HB3 -0.03 0.21 -0.10 -0.04 2.02 2.06 1m5hB1 PRO 1226 HG2 -0.05 -0.11 -0.31 -0.04 2.03 1.52 1m5hB1 PRO 1226 HG3 -0.02 0.06 -0.26 -0.04 2.03 1.76 1m5hB1 PRO 1226 HD2 -0.06 0.06 0.20 -0.04 3.68 3.84 1m5hB1 PRO 1226 HD3 -0.03 0.51 0.08 -0.04 3.65 4.18 1m5hB1 SER 1227 H -0.03 0.13 -0.08 -0.55 8.46 7.94 1m5hB1 SER 1227 HA -0.02 0.10 0.34 -0.75 4.49 4.16 1m5hB1 SER 1227 HB2 -0.01 0.01 0.11 -0.04 3.95 4.01 1m5hB1 SER 1227 HB3 -0.02 0.03 0.13 -0.04 3.93 4.03 1m5hB1 ILE 1228 H -0.02 0.27 -0.57 -0.55 8.25 7.39 1m5hB1 ILE 1228 HA -0.01 0.21 0.97 -0.75 4.18 4.60 1m5hB1 ILE 1228 HB -0.01 -0.07 0.14 -0.04 1.89 1.91 1m5hB1 ILE 1228 HG12 -0.01 -0.04 -0.06 -0.04 1.49 1.33 1m5hB1 ILE 1228 HG13 -0.02 0.14 -0.13 -0.04 1.21 1.16 1m5hB1 ILE 1228 HG23 -0.01 -0.01 -0.15 -0.04 0.93 0.73 1m5hB1 ILE 1228 HD13 -0.01 -0.03 -0.02 -0.04 0.88 0.78 1m5hB1 ARG 1229 H -0.03 0.60 -0.02 -0.55 8.46 8.47 1m5hB1 ARG 1229 HA -0.04 0.02 0.42 -0.75 4.34 3.99 1m5hB1 ARG 1229 HB2 -0.04 0.01 0.06 -0.04 1.90 1.89 1m5hB1 ARG 1229 HB3 -0.04 0.04 0.12 -0.04 1.80 1.88 1m5hB1 ARG 1229 HG2 -0.02 0.04 0.10 -0.04 1.67 1.74 1m5hB1 ARG 1229 HG3 -0.03 -0.05 -0.13 -0.04 1.67 1.42 1m5hB1 ARG 1229 HD2 -0.03 0.08 0.01 -0.04 3.22 3.24 1m5hB1 ARG 1229 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 1m5hB1 ASP 1230 H -0.02 0.12 -0.27 -0.55 8.40 7.69 1m5hB1 ASP 1230 HA -0.02 0.15 0.42 -0.75 4.63 4.43 1m5hB1 ASP 1230 HB2 -0.01 -0.00 -0.00 -0.04 2.71 2.65 1m5hB1 ASP 1230 HB3 -0.01 -0.00 0.09 -0.04 2.70 2.73 1m5hB1 GLN 1231 H -0.02 0.41 -0.47 -0.55 8.47 7.85 1m5hB1 GLN 1231 HA -0.02 0.20 0.90 -0.75 4.36 4.68 1m5hB1 GLN 1231 HB2 -0.01 0.06 0.02 -0.04 2.15 2.18 1m5hB1 GLN 1231 HB3 -0.01 -0.05 0.11 -0.04 2.02 2.02 1m5hB1 GLN 1231 HG2 -0.01 0.05 -0.15 -0.04 2.40 2.25 1m5hB1 GLN 1231 HG3 -0.01 -0.06 -0.14 -0.04 2.39 2.14 1m5hB1 GLN 1231 HE21 -0.00 -0.02 -0.01 -0.04 6.97 6.90 1m5hB1 GLN 1231 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 1m5hB1 VAL 1232 H -0.03 0.37 -0.12 -0.55 8.24 7.92 1m5hB1 VAL 1232 HA -0.02 0.08 0.90 -0.75 4.13 4.33 1m5hB1 VAL 1232 HB -0.04 0.08 0.11 -0.04 2.12 2.23 1m5hB1 VAL 1232 HG13 -0.03 -0.08 -0.23 -0.04 0.97 0.59 1m5hB1 VAL 1232 HG23 -0.02 0.07 -0.12 -0.04 0.95 0.85 1m5hB1 GLU 1233 H -0.02 0.13 0.09 -0.55 8.60 8.25 1m5hB1 GLU 1233 HA -0.03 0.21 0.42 -0.75 4.29 4.14 1m5hB1 GLU 1233 HB2 -0.02 -0.06 0.12 -0.04 2.09 2.09 1m5hB1 GLU 1233 HB3 -0.02 0.03 -0.03 -0.04 1.99 1.92 1m5hB1 GLU 1233 HG2 -0.02 0.03 -0.05 -0.04 2.34 2.26 1m5hB1 GLU 1233 HG3 -0.02 -0.01 0.00 -0.04 2.34 2.27 1m5hB1 GLY 1234 H -0.03 -0.00 -0.12 -0.55 8.43 7.74 1m5hB1 GLY 1234 HA2 -0.04 0.23 0.66 -0.51 4.01 4.36 1m5hB1 GLY 1234 HA3 -0.04 -0.07 0.28 -0.51 4.01 3.68 1m5hB1 THR 1235 H -0.06 0.24 -0.59 -0.55 8.28 7.32 1m5hB1 THR 1235 HA -0.14 -0.13 0.33 -0.75 4.39 3.69 1m5hB1 THR 1235 HB -0.07 0.08 0.14 -0.04 4.32 4.42 1m5hB1 THR 1235 HG23 -0.07 0.03 -0.03 -0.04 1.22 1.11 1m5hB1 GLN 1236 H -0.40 0.79 0.32 -0.55 8.47 8.63 1m5hB1 GLN 1236 HA -0.21 0.18 0.78 -0.75 4.36 4.36 1m5hB1 GLN 1236 HB2 -1.47 0.09 0.06 -0.04 2.15 0.79 1m5hB1 GLN 1236 HB3 -0.50 -0.08 0.15 -0.04 2.02 1.56 1m5hB1 GLN 1236 HG2 -0.30 0.03 -0.05 -0.04 2.40 2.04 1m5hB1 GLN 1236 HG3 -0.23 -0.10 -0.01 -0.04 2.39 2.00 1m5hB1 GLN 1236 HE21 -0.05 -0.01 -0.00 -0.04 6.97 6.87 1m5hB1 GLN 1236 HE22 -0.02 -0.06 0.01 -0.04 7.69 7.57 1m5hB1 ILE 1237 H -0.18 0.05 -0.27 -0.55 8.25 7.31 1m5hB1 ILE 1237 HA -0.08 0.13 0.66 -0.75 4.18 4.13 1m5hB1 ILE 1237 HB -0.08 -0.03 -0.00 -0.04 1.89 1.74 1m5hB1 ILE 1237 HG12 -0.16 -0.02 -0.25 -0.04 1.49 1.02 1m5hB1 ILE 1237 HG13 -0.06 -0.05 -0.54 -0.04 1.21 0.52 1m5hB1 ILE 1237 HG23 -0.03 0.05 -0.17 -0.04 0.93 0.74 1m5hB1 ILE 1237 HD13 -0.02 0.02 -0.27 -0.04 0.88 0.57 1m5hB1 PRO 1238 HA -0.03 0.08 0.38 -0.51 4.44 4.36 1m5hB1 PRO 1238 HB2 -0.01 -0.08 -0.06 -0.04 2.28 2.08 1m5hB1 PRO 1238 HB3 -0.01 0.02 0.06 -0.04 2.02 2.04 1m5hB1 PRO 1238 HG2 0.00 0.02 -0.01 -0.04 2.03 2.00 1m5hB1 PRO 1238 HG3 -0.02 0.09 -0.02 -0.04 2.03 2.04 1m5hB1 PRO 1238 HD2 -0.00 0.01 0.13 -0.04 3.68 3.78 1m5hB1 PRO 1238 HD3 -0.03 0.41 0.29 -0.04 3.65 4.29 1m5hB1 ALA 1239 H -0.02 0.10 0.12 -0.55 8.40 8.06 1m5hB1 ALA 1239 HA -0.02 0.15 0.32 -0.75 4.34 4.03 1m5hB1 ALA 1239 HB3 -0.01 -0.00 0.08 -0.04 1.41 1.43 1m5hB1 GLY 1240 H -0.01 0.04 -0.14 -0.55 8.43 7.77 1m5hB1 GLY 1240 HA2 -0.00 0.12 0.43 -0.51 4.01 4.04 1m5hB1 GLY 1240 HA3 -0.00 -0.03 0.28 -0.51 4.01 3.75 1m5hB1 VAL 1241 H -0.01 0.35 -0.59 -0.55 8.24 7.45 1m5hB1 VAL 1241 HA 0.01 0.10 0.54 -0.75 4.13 4.03 1m5hB1 VAL 1241 HB -0.00 0.15 0.00 -0.04 2.12 2.22 1m5hB1 VAL 1241 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.76 1m5hB1 VAL 1241 HG23 0.01 -0.05 -0.18 -0.04 0.95 0.69 1m5hB1 LYS 1242 H 0.01 0.38 0.32 -0.55 8.42 8.57 1m5hB1 LYS 1242 HA -0.01 0.21 0.93 -0.75 4.32 4.70 1m5hB1 LYS 1242 HB2 0.00 0.13 0.00 -0.04 1.87 1.97 1m5hB1 LYS 1242 HB3 -0.00 -0.14 0.09 -0.04 1.79 1.70 1m5hB1 LYS 1242 HG2 -0.01 0.00 -0.08 -0.04 1.46 1.34 1m5hB1 LYS 1242 HG3 -0.00 0.12 -0.11 -0.04 1.46 1.43 1m5hB1 LYS 1242 HD2 0.00 0.11 0.14 -0.04 1.69 1.90 1m5hB1 LYS 1242 HD3 0.00 -0.12 0.06 -0.04 1.68 1.59 1m5hB1 LYS 1242 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.93 1m5hB1 LYS 1242 HE3 -0.00 0.05 0.01 -0.04 2.99 3.02 1m5hB1 ALA 1243 H -0.00 0.36 0.12 -0.55 8.40 8.33 1m5hB1 ALA 1243 HA -0.08 0.13 0.76 -0.75 4.34 4.39 1m5hB1 ALA 1243 HB3 -0.03 0.02 -0.20 -0.04 1.41 1.15 1m5hB1 VAL 1244 H -0.22 0.26 0.23 -0.55 8.24 7.96 1m5hB1 VAL 1244 HA -0.02 0.39 1.15 -0.75 4.13 4.89 1m5hB1 VAL 1244 HB -0.12 0.08 0.07 -0.04 2.12 2.11 1m5hB1 VAL 1244 HG13 -0.07 -0.01 -0.16 -0.04 0.97 0.69 1m5hB1 VAL 1244 HG23 0.04 -0.03 -0.21 -0.04 0.95 0.71 1m5hB1 TYR 1245 H 0.05 0.51 0.37 -0.55 8.29 8.66 1m5hB1 TYR 1245 HA -0.12 0.23 0.86 -0.75 4.56 4.78 1m5hB1 TYR 1245 HB2 -0.02 0.00 0.01 -0.04 3.06 3.02 1m5hB1 TYR 1245 HB3 -0.06 0.03 -0.05 -0.04 2.98 2.85 1m5hB1 TYR 1245 HD2 -0.03 0.00 -0.28 -0.04 7.15 6.80 1m5hB1 TYR 1245 HE2 -0.00 -0.01 -0.03 -0.04 6.85 6.76 1m5hB1 GLU 1246 H -0.09 0.67 0.32 -0.55 8.60 8.96 1m5hB1 GLU 1246 HA -0.12 0.28 1.12 -0.75 4.29 4.81 1m5hB1 GLU 1246 HB2 -0.57 -0.01 -0.06 -0.04 2.09 1.41 1m5hB1 GLU 1246 HB3 -0.31 -0.11 0.06 -0.04 1.99 1.59 1m5hB1 GLU 1246 HG2 -0.13 0.04 -0.21 -0.04 2.34 1.99 1m5hB1 GLU 1246 HG3 0.20 0.05 -0.05 -0.04 2.34 2.50 1m5hB1 ILE 1247 H -0.38 0.47 0.31 -0.55 8.25 8.11 1m5hB1 ILE 1247 HA -0.19 0.18 1.02 -0.75 4.18 4.44 1m5hB1 ILE 1247 HB -1.03 -0.06 0.16 -0.04 1.89 0.92 1m5hB1 ILE 1247 HG12 -0.40 -0.05 -0.17 -0.04 1.49 0.83 1m5hB1 ILE 1247 HG13 -0.22 0.02 -0.05 -0.04 1.21 0.92 1m5hB1 ILE 1247 HG23 -0.08 0.05 -0.15 -0.04 0.93 0.71 1m5hB1 ILE 1247 HD13 -0.08 0.03 -0.05 -0.04 0.88 0.73 1m5hB1 VAL 1248 H -0.14 0.15 0.12 -0.55 8.24 7.82 1m5hB1 VAL 1248 HA -0.04 0.29 0.92 -0.75 4.13 4.55 1m5hB1 VAL 1248 HB -0.00 -0.05 0.10 -0.04 2.12 2.13 1m5hB1 VAL 1248 HG13 0.13 -0.00 -0.13 -0.04 0.97 0.92 1m5hB1 VAL 1248 HG23 -0.17 -0.01 -0.07 -0.04 0.95 0.66 1m5hB1 ILE 1249 H 0.04 0.69 0.22 -0.55 8.25 8.65 1m5hB1 ILE 1249 HA 0.06 0.39 1.16 -0.75 4.18 5.04 1m5hB1 ILE 1249 HB 0.06 -0.15 -0.04 -0.04 1.89 1.72 1m5hB1 ILE 1249 HG12 0.07 0.11 -0.29 -0.04 1.49 1.35 1m5hB1 ILE 1249 HG13 0.03 -0.07 -0.72 -0.04 1.21 0.40 1m5hB1 ILE 1249 HG23 0.06 0.00 -0.24 -0.04 0.93 0.71 1m5hB1 ILE 1249 HD13 0.18 -0.02 -0.30 -0.04 0.88 0.69 1m5hB1 ASN 1250 H 0.06 0.63 0.34 -0.55 8.53 9.02 1m5hB1 ASN 1250 HA 0.04 0.17 0.99 -0.75 4.76 5.21 1m5hB1 ASN 1250 HB2 0.05 0.06 0.04 -0.04 2.88 2.99 1m5hB1 ASN 1250 HB3 0.04 0.02 -0.02 -0.04 2.79 2.78 1m5hB1 ASN 1250 HD21 0.05 -0.07 -0.09 -0.04 7.03 6.89 1m5hB1 ASN 1250 HD22 0.04 0.06 -0.14 -0.04 7.74 7.66 1m5hB1 GLY 1251 H 0.01 0.58 0.35 -0.55 8.43 8.83 1m5hB1 GLY 1251 HA2 0.02 0.21 0.60 -0.51 4.01 4.34 1m5hB1 GLY 1251 HA3 0.01 0.02 0.35 -0.51 4.01 3.89 1m5hB1 LEU 1252 H 0.01 0.55 0.27 -0.55 8.37 8.66 1m5hB1 LEU 1252 HA 0.01 0.03 0.34 -0.75 4.35 3.98 1m5hB1 LEU 1252 HB2 -0.00 -0.02 0.10 -0.04 1.64 1.68 1m5hB1 LEU 1252 HB3 0.00 -0.01 0.06 -0.04 1.64 1.65 1m5hB1 LEU 1252 HG 0.01 0.13 0.13 -0.04 1.64 1.87 1m5hB1 LEU 1252 HD13 -0.01 0.00 -0.00 -0.04 0.93 0.88 1m5hB1 LEU 1252 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.76 1m5hB1 ASN 1253 H -0.01 0.19 -0.15 -0.55 8.53 8.02 1m5hB1 ASN 1253 HA -0.02 0.21 0.53 -0.75 4.76 4.72 1m5hB1 ASN 1253 HB2 0.00 -0.09 0.13 -0.04 2.88 2.88 1m5hB1 ASN 1253 HB3 -0.00 0.26 -0.08 -0.04 2.79 2.93 1m5hB1 ASN 1253 HD21 -0.01 0.07 -0.09 -0.04 7.03 6.96 1m5hB1 ASN 1253 HD22 -0.00 0.11 -0.20 -0.04 7.74 7.60 1m5hB1 ALA 1254 H 0.00 0.24 0.12 -0.55 8.40 8.22 1m5hB1 ALA 1254 HA -0.01 0.08 0.33 -0.75 4.34 3.98 1m5hB1 ALA 1254 HB3 0.04 0.04 0.07 -0.04 1.41 1.51 1m5hB1 ASP 1255 H -0.00 0.12 -0.10 -0.55 8.40 7.87 1m5hB1 ASP 1255 HA -0.01 0.11 0.36 -0.75 4.63 4.33 1m5hB1 ASP 1255 HB2 -0.01 -0.03 0.03 -0.04 2.71 2.66 1m5hB1 ASP 1255 HB3 -0.01 0.08 -0.02 -0.04 2.70 2.71 1m5hB1 ALA 1256 H -0.00 0.08 -0.41 -0.55 8.40 7.52 1m5hB1 ALA 1256 HA 0.00 0.11 0.38 -0.75 4.34 4.07 1m5hB1 ALA 1256 HB3 0.00 0.04 -0.01 -0.04 1.41 1.40 1m5hB1 ILE 1257 H 0.00 0.38 -0.11 -0.55 8.25 7.97 1m5hB1 ILE 1257 HA 0.03 0.07 0.24 -0.75 4.18 3.76 1m5hB1 ILE 1257 HB 0.00 0.06 0.04 -0.04 1.89 1.96 1m5hB1 ILE 1257 HG12 -0.01 0.15 -0.10 -0.04 1.49 1.48 1m5hB1 ILE 1257 HG13 -0.03 -0.06 -0.16 -0.04 1.21 0.91 1m5hB1 ILE 1257 HG23 0.03 -0.00 -0.14 -0.04 0.93 0.77 1m5hB1 ILE 1257 HD13 0.01 0.03 -0.28 -0.04 0.88 0.61 1m5hB1 LYS 1258 H -0.00 0.66 -0.24 -0.55 8.42 8.28 1m5hB1 LYS 1258 HA -0.01 -0.01 0.35 -0.75 4.32 3.89 1m5hB1 LYS 1258 HB2 -0.02 0.09 0.11 -0.04 1.87 2.01 1m5hB1 LYS 1258 HB3 -0.05 0.01 -0.04 -0.04 1.79 1.66 1m5hB1 LYS 1258 HG2 -0.01 -0.07 -0.04 -0.04 1.46 1.30 1m5hB1 LYS 1258 HG3 -0.00 0.21 -0.02 -0.04 1.46 1.60 1m5hB1 LYS 1258 HD2 -0.02 -0.05 -0.12 -0.04 1.69 1.46 1m5hB1 LYS 1258 HD3 -0.03 0.04 -0.06 -0.04 1.68 1.59 1m5hB1 LYS 1258 HE2 -0.01 -0.00 0.00 -0.04 2.99 2.94 1m5hB1 LYS 1258 HE3 0.01 -0.09 -0.09 -0.04 2.99 2.78 1m5hB1 GLU 1259 H -0.01 0.56 -0.09 -0.55 8.60 8.51 1m5hB1 GLU 1259 HA -0.04 0.03 0.42 -0.75 4.29 3.94 1m5hB1 GLU 1259 HB2 -0.02 0.01 0.12 -0.04 2.09 2.17 1m5hB1 GLU 1259 HB3 -0.00 0.08 0.15 -0.04 1.99 2.18 1m5hB1 GLU 1259 HG2 -0.00 -0.02 -0.02 -0.04 2.34 2.26 1m5hB1 GLU 1259 HG3 0.00 0.00 -0.21 -0.04 2.34 2.09 1m5hB1 ALA 1260 H 0.02 0.60 -0.19 -0.55 8.40 8.28 1m5hB1 ALA 1260 HA 0.05 0.01 0.33 -0.75 4.34 3.98 1m5hB1 ALA 1260 HB3 0.07 0.03 -0.00 -0.04 1.41 1.46 1m5hB1 THR 1261 H 0.05 0.53 -0.24 -0.55 8.28 8.07 1m5hB1 THR 1261 HA 0.24 0.01 0.32 -0.75 4.39 4.21 1m5hB1 THR 1261 HB -0.00 0.11 0.10 -0.04 4.32 4.49 1m5hB1 THR 1261 HG23 0.08 -0.02 -0.15 -0.04 1.22 1.09 1m5hB1 ARG 1262 H -0.07 0.53 -0.18 -0.55 8.46 8.18 1m5hB1 ARG 1262 HA -0.19 -0.00 0.37 -0.75 4.34 3.75 1m5hB1 ARG 1262 HB2 -0.27 0.02 0.14 -0.04 1.90 1.74 1m5hB1 ARG 1262 HB3 -0.11 0.10 0.20 -0.04 1.80 1.94 1m5hB1 ARG 1262 HG2 -0.09 -0.07 -0.19 -0.04 1.67 1.28 1m5hB1 ARG 1262 HG3 -0.58 0.02 0.02 -0.04 1.67 1.08 1m5hB1 ARG 1262 HD2 -0.16 0.03 0.07 -0.04 3.22 3.12 1m5hB1 ARG 1262 HD3 -0.24 -0.01 0.08 -0.04 3.22 3.01 1m5hB1 VAL 1263 H -0.01 0.70 -0.01 -0.55 8.24 8.37 1m5hB1 VAL 1263 HA 0.03 0.00 0.41 -0.75 4.13 3.82 1m5hB1 VAL 1263 HB 0.03 0.08 0.05 -0.04 2.12 2.24 1m5hB1 VAL 1263 HG13 0.04 0.01 -0.25 -0.04 0.97 0.72 1m5hB1 VAL 1263 HG23 0.01 -0.00 -0.01 -0.04 0.95 0.91 1m5hB1 GLY 1264 H 0.05 0.60 -0.26 -0.55 8.43 8.28 1m5hB1 GLY 1264 HA2 0.13 0.02 0.46 -0.51 4.01 4.11 1m5hB1 GLY 1264 HA3 0.24 0.09 0.29 -0.51 4.01 4.13 1m5hB1 ILE 1265 H -0.27 0.56 -0.15 -0.55 8.25 7.85 1m5hB1 ILE 1265 HA -0.33 -0.01 0.39 -0.75 4.18 3.48 1m5hB1 ILE 1265 HB 0.10 0.14 0.10 -0.04 1.89 2.19 1m5hB1 ILE 1265 HG12 -0.82 -0.07 -0.00 -0.04 1.49 0.56 1m5hB1 ILE 1265 HG13 -1.29 0.11 0.07 -0.04 1.21 0.06 1m5hB1 ILE 1265 HG23 -0.20 -0.02 -0.18 -0.04 0.93 0.49 1m5hB1 ILE 1265 HD13 -0.04 -0.02 -0.07 -0.04 0.88 0.70 1m5hB1 LEU 1266 H 0.04 0.49 -0.22 -0.55 8.37 8.14 1m5hB1 LEU 1266 HA -0.00 -0.01 0.33 -0.75 4.35 3.91 1m5hB1 LEU 1266 HB2 0.05 0.11 0.11 -0.04 1.64 1.87 1m5hB1 LEU 1266 HB3 0.04 -0.06 -0.03 -0.04 1.64 1.55 1m5hB1 LEU 1266 HG 0.24 0.28 0.06 -0.04 1.64 2.18 1m5hB1 LEU 1266 HD13 0.07 -0.03 -0.06 -0.04 0.93 0.87 1m5hB1 LEU 1266 HD23 0.13 -0.03 -0.03 -0.04 0.89 0.91 1m5hB1 ALA 1267 H 0.03 0.47 -0.25 -0.55 8.40 8.10 1m5hB1 ALA 1267 HA 0.02 0.02 0.40 -0.75 4.34 4.03 1m5hB1 ALA 1267 HB3 0.05 0.01 -0.01 -0.04 1.41 1.41 1m5hB1 ALA 1268 H 0.04 0.58 -0.08 -0.55 8.40 8.39 1m5hB1 ALA 1268 HA 0.06 0.04 0.45 -0.75 4.34 4.14 1m5hB1 ALA 1268 HB3 0.12 -0.01 0.05 -0.04 1.41 1.53 1m5hB1 THR 1269 H -0.01 0.58 -0.23 -0.55 8.28 8.07 1m5hB1 THR 1269 HA -0.00 -0.00 0.34 -0.75 4.39 3.97 1m5hB1 THR 1269 HB -0.05 0.00 0.10 -0.04 4.32 4.33 1m5hB1 THR 1269 HG23 -0.09 0.00 -0.03 -0.04 1.22 1.07 1m5hB1 LYS 1270 H 0.01 0.42 -0.81 -0.55 8.42 7.48 1m5hB1 LYS 1270 HA -0.00 0.08 0.66 -0.75 4.32 4.31 1m5hB1 LYS 1270 HB2 0.01 0.21 0.10 -0.04 1.87 2.16 1m5hB1 LYS 1270 HB3 0.01 -0.13 0.11 -0.04 1.79 1.73 1m5hB1 LYS 1270 HG2 0.00 0.28 0.03 -0.04 1.46 1.74 1m5hB1 LYS 1270 HG3 0.01 -0.10 0.04 -0.04 1.46 1.36 1m5hB1 LYS 1270 HD2 0.00 -0.09 0.03 -0.04 1.69 1.59 1m5hB1 LYS 1270 HD3 -0.00 0.05 0.00 -0.04 1.68 1.69 1m5hB1 LYS 1270 HE2 0.00 -0.09 -0.01 -0.04 2.99 2.85 1m5hB1 LYS 1270 HE3 -0.00 0.03 -0.05 -0.04 2.99 2.93 1m5hB1 ILE 1271 H 0.02 0.48 -0.10 -0.55 8.25 8.09 1m5hB1 ILE 1271 HA 0.01 0.12 0.68 -0.75 4.18 4.24 1m5hB1 ILE 1271 HB 0.03 0.02 0.12 -0.04 1.89 2.02 1m5hB1 ILE 1271 HG12 0.02 0.16 0.09 -0.04 1.49 1.72 1m5hB1 ILE 1271 HG13 0.02 -0.08 -0.28 -0.04 1.21 0.83 1m5hB1 ILE 1271 HG23 0.02 -0.01 -0.10 -0.04 0.93 0.79 1m5hB1 ILE 1271 HD13 0.01 -0.01 -0.16 -0.04 0.88 0.68 1m5hB1 PRO 1272 HA 0.01 0.05 0.49 -0.51 4.44 4.48 1m5hB1 PRO 1272 HB2 0.01 -0.02 0.02 -0.04 2.28 2.24 1m5hB1 PRO 1272 HB3 0.01 0.06 0.12 -0.04 2.02 2.16 1m5hB1 PRO 1272 HG2 0.01 -0.04 0.13 -0.04 2.03 2.09 1m5hB1 PRO 1272 HG3 0.01 0.03 0.10 -0.04 2.03 2.13 1m5hB1 PRO 1272 HD2 0.01 0.05 0.25 -0.04 3.68 3.95 1m5hB1 PRO 1272 HD3 0.01 0.26 0.25 -0.04 3.65 4.13 1m5hB1 GLY 1273 H 0.01 0.23 0.17 -0.55 8.43 8.30 1m5hB1 GLY 1273 HA2 0.02 -0.01 0.35 -0.51 4.01 3.86 1m5hB1 GLY 1273 HA3 0.02 0.10 0.86 -0.51 4.01 4.47 1m5hB1 VAL 1274 H 0.02 0.43 -0.05 -0.55 8.24 8.09 1m5hB1 VAL 1274 HA 0.04 0.00 0.54 -0.75 4.13 3.96 1m5hB1 VAL 1274 HB 0.02 0.08 0.11 -0.04 2.12 2.29 1m5hB1 VAL 1274 HG13 0.04 -0.01 -0.18 -0.04 0.97 0.77 1m5hB1 VAL 1274 HG23 0.05 0.06 -0.07 -0.04 0.95 0.94 1m5hB1 VAL 1275 H 0.04 0.56 0.53 -0.55 8.24 8.82 1m5hB1 VAL 1275 HA 0.01 0.18 0.89 -0.75 4.13 4.45 1m5hB1 VAL 1275 HB 0.02 -0.02 -0.06 -0.04 2.12 2.03 1m5hB1 VAL 1275 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.81 1m5hB1 VAL 1275 HG23 0.01 0.03 -0.09 -0.04 0.95 0.86 1m5hB1 LYS 1276 H 0.04 0.37 0.32 -0.55 8.42 8.59 1m5hB1 LYS 1276 HA 0.01 0.31 0.74 -0.75 4.32 4.63 1m5hB1 LYS 1276 HB2 0.02 0.06 -0.30 -0.04 1.87 1.61 1m5hB1 LYS 1276 HB3 0.05 -0.10 -0.05 -0.04 1.79 1.65 1m5hB1 LYS 1276 HG2 0.05 0.00 -0.17 -0.04 1.46 1.30 1m5hB1 LYS 1276 HG3 0.01 0.07 0.04 -0.04 1.46 1.55 1m5hB1 LYS 1276 HD2 0.02 -0.03 -0.06 -0.04 1.69 1.58 1m5hB1 LYS 1276 HD3 0.05 -0.02 -0.10 -0.04 1.68 1.58 1m5hB1 LYS 1276 HE2 0.00 0.02 -0.05 -0.04 2.99 2.92 1m5hB1 LYS 1276 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.92 1m5hB1 ILE 1277 H 0.02 0.58 0.40 -0.55 8.25 8.70 1m5hB1 ILE 1277 HA 0.12 0.32 1.11 -0.75 4.18 4.98 1m5hB1 ILE 1277 HB -0.04 -0.03 0.17 -0.04 1.89 1.96 1m5hB1 ILE 1277 HG12 -0.00 -0.05 -0.27 -0.04 1.49 1.13 1m5hB1 ILE 1277 HG13 -0.06 0.02 -0.08 -0.04 1.21 1.06 1m5hB1 ILE 1277 HG23 0.03 0.01 -0.00 -0.04 0.93 0.92 1m5hB1 ILE 1277 HD13 0.10 0.02 0.02 -0.04 0.88 0.98 1m5hB1 THR 1278 H 0.13 0.42 0.33 -0.55 8.28 8.61 1m5hB1 THR 1278 HA -0.02 0.15 0.66 -0.75 4.39 4.44 1m5hB1 THR 1278 HB -0.06 -0.07 0.22 -0.04 4.32 4.37 1m5hB1 THR 1278 HG23 0.06 0.00 -0.22 -0.04 1.22 1.02 1m5hB1 ALA 1279 H -0.29 0.28 0.18 -0.55 8.40 8.02 1m5hB1 ALA 1279 HA -0.66 0.02 0.65 -0.75 4.34 3.59 1m5hB1 ALA 1279 HB3 -0.15 0.03 -0.21 -0.04 1.41 1.03 1m5hB1 GLY 1280 H -0.57 0.16 0.07 -0.55 8.43 7.54 1m5hB1 GLY 1280 HA2 -0.56 0.16 0.92 -0.51 4.01 4.02 1m5hB1 GLY 1280 HA3 -0.32 0.03 0.32 -0.51 4.01 3.53 1m5hB1 ASN 1281 H -0.42 0.26 0.27 -0.55 8.53 8.10 1m5hB1 ASN 1281 HA -0.17 0.14 0.82 -0.75 4.76 4.80 1m5hB1 ASN 1281 HB2 0.04 -0.23 0.11 -0.04 2.88 2.75 1m5hB1 ASN 1281 HB3 -0.35 0.33 -0.17 -0.04 2.79 2.57 1m5hB1 ASN 1281 HD21 -0.53 0.02 0.01 -0.04 7.03 6.49 1m5hB1 ASN 1281 HD22 -0.74 0.32 -0.03 -0.04 7.74 7.25 1m5hB1 TYR 1282 H 0.20 0.04 0.13 -0.55 8.29 8.12 1m5hB1 TYR 1282 HA 0.06 0.29 0.87 -0.75 4.56 5.03 1m5hB1 TYR 1282 HB2 0.15 -0.13 0.15 -0.04 3.06 3.19 1m5hB1 TYR 1282 HB3 0.11 0.07 0.19 -0.04 2.98 3.30 1m5hB1 TYR 1282 HD2 0.10 -0.06 0.00 -0.04 7.15 7.15 1m5hB1 TYR 1282 HE2 0.12 0.09 -0.01 -0.04 6.85 7.02 1m5hB1 GLY 1283 H 0.06 0.19 -0.06 -0.55 8.43 8.07 1m5hB1 GLY 1283 HA2 0.13 0.10 0.31 -0.51 4.01 4.04 1m5hB1 GLY 1283 HA3 0.12 0.18 0.51 -0.51 4.01 4.30 1m5hB1 GLY 1284 H 0.26 -0.17 -0.37 -0.55 8.43 7.60 1m5hB1 GLY 1284 HA2 0.13 0.01 0.24 -0.51 4.01 3.89 1m5hB1 GLY 1284 HA3 0.08 0.18 0.43 -0.51 4.01 4.19 1m5hB1 LYS 1285 H 0.15 0.18 -0.42 -0.55 8.42 7.77 1m5hB1 LYS 1285 HA 0.06 0.21 0.60 -0.75 4.32 4.44 1m5hB1 LYS 1285 HB2 0.11 0.04 0.04 -0.04 1.87 2.01 1m5hB1 LYS 1285 HB3 0.07 -0.00 0.09 -0.04 1.79 1.90 1m5hB1 LYS 1285 HG2 0.06 0.04 -0.07 -0.04 1.46 1.44 1m5hB1 LYS 1285 HG3 0.09 0.03 -0.11 -0.04 1.46 1.42 1m5hB1 LYS 1285 HD2 0.05 -0.00 -0.00 -0.04 1.69 1.70 1m5hB1 LYS 1285 HD3 0.07 -0.01 0.01 -0.04 1.68 1.70 1m5hB1 LYS 1285 HE2 0.04 -0.02 0.00 -0.04 2.99 2.97 1m5hB1 LYS 1285 HE3 0.05 -0.00 0.01 -0.04 2.99 3.01 1m5hB1 LEU 1286 H 0.16 -0.16 -0.22 -0.55 8.37 7.61 1m5hB1 LEU 1286 HA 0.15 0.29 1.01 -0.75 4.35 5.06 1m5hB1 LEU 1286 HB2 0.28 -0.14 0.07 -0.04 1.64 1.82 1m5hB1 LEU 1286 HB3 0.43 0.03 -0.08 -0.04 1.64 1.99 1m5hB1 LEU 1286 HG 0.06 0.08 -0.07 -0.04 1.64 1.68 1m5hB1 LEU 1286 HD13 0.14 -0.03 -0.27 -0.04 0.93 0.73 1m5hB1 LEU 1286 HD23 -0.11 -0.01 -0.02 -0.04 0.89 0.71 1m5hB1 GLY 1287 H 0.03 -0.10 -0.01 -0.55 8.43 7.80 1m5hB1 GLY 1287 HA2 -0.16 0.06 0.64 -0.51 4.01 4.04 1m5hB1 GLY 1287 HA3 -0.62 0.13 0.19 -0.51 4.01 3.20 1m5hB1 LYS 1288 H -0.01 0.08 0.24 -0.55 8.42 8.17 1m5hB1 LYS 1288 HA -0.11 0.17 0.52 -0.75 4.32 4.15 1m5hB1 LYS 1288 HB2 -0.31 -0.07 0.11 -0.04 1.87 1.57 1m5hB1 LYS 1288 HB3 -0.31 0.00 0.03 -0.04 1.79 1.47 1m5hB1 LYS 1288 HG2 -0.05 0.05 0.01 -0.04 1.46 1.42 1m5hB1 LYS 1288 HG3 0.01 0.04 0.05 -0.04 1.46 1.52 1m5hB1 LYS 1288 HD2 0.03 -0.06 0.06 -0.04 1.69 1.69 1m5hB1 LYS 1288 HD3 -0.07 -0.00 0.02 -0.04 1.68 1.59 1m5hB1 LYS 1288 HE2 0.04 0.03 0.03 -0.04 2.99 3.06 1m5hB1 LYS 1288 HE3 0.03 -0.02 0.03 -0.04 2.99 2.99 1m5hB1 HIS 1289 H 0.02 0.17 -0.04 -0.55 8.41 8.02 1m5hB1 HIS 1289 HA -0.05 0.16 0.79 -0.75 4.63 4.77 1m5hB1 HIS 1289 HB2 -0.06 -0.06 -0.01 -0.04 3.26 3.10 1m5hB1 HIS 1289 HB3 -0.03 0.02 -0.09 -0.04 3.20 3.06 1m5hB1 HIS 1289 HD2 -0.02 -0.03 -0.15 -0.04 6.97 6.72 1m5hB1 HIS 1289 HE1 0.01 0.03 -0.06 -0.04 7.75 7.69 1m5hB1 ILE 1290 H -0.06 0.24 0.18 -0.55 8.25 8.07 1m5hB1 ILE 1290 HA 0.00 0.31 0.96 -0.75 4.18 4.71 1m5hB1 ILE 1290 HB -0.19 0.01 0.08 -0.04 1.89 1.74 1m5hB1 ILE 1290 HG12 -0.14 -0.04 -0.15 -0.04 1.49 1.12 1m5hB1 ILE 1290 HG13 -0.15 0.10 -0.28 -0.04 1.21 0.83 1m5hB1 ILE 1290 HG23 -0.42 -0.02 -0.22 -0.04 0.93 0.23 1m5hB1 ILE 1290 HD13 -0.49 0.00 -0.05 -0.04 0.88 0.30 1m5hB1 ILE 1291 H 0.09 0.59 0.25 -0.55 8.25 8.64 1m5hB1 ILE 1291 HA 0.02 0.18 0.88 -0.75 4.18 4.50 1m5hB1 ILE 1291 HB 0.06 -0.10 0.24 -0.04 1.89 2.06 1m5hB1 ILE 1291 HG12 0.03 0.03 -0.20 -0.04 1.49 1.31 1m5hB1 ILE 1291 HG13 0.04 -0.02 -0.38 -0.04 1.21 0.81 1m5hB1 ILE 1291 HG23 0.02 0.02 -0.17 -0.04 0.93 0.76 1m5hB1 ILE 1291 HD13 0.04 -0.00 -0.07 -0.04 0.88 0.81 1m5hB1 ASN 1292 H 0.01 0.21 0.03 -0.55 8.53 8.24 1m5hB1 ASN 1292 HA 0.13 0.17 0.70 -0.75 4.76 5.01 1m5hB1 ASN 1292 HB2 0.01 0.01 0.13 -0.04 2.88 2.99 1m5hB1 ASN 1292 HB3 0.05 -0.03 0.00 -0.04 2.79 2.77 1m5hB1 ASN 1292 HD21 -0.10 0.03 -0.07 -0.04 7.03 6.85 1m5hB1 ASN 1292 HD22 -0.04 0.02 -0.01 -0.04 7.74 7.67 1m5hB1 LEU 1293 H 0.09 0.56 0.37 -0.55 8.37 8.84 1m5hB1 LEU 1293 HA 0.06 0.06 0.34 -0.75 4.35 4.05 1m5hB1 LEU 1293 HB2 0.08 0.08 0.20 -0.04 1.64 1.96 1m5hB1 LEU 1293 HB3 0.17 0.04 -0.07 -0.04 1.64 1.74 1m5hB1 LEU 1293 HG 0.13 0.01 -0.03 -0.04 1.64 1.71 1m5hB1 LEU 1293 HD13 0.05 0.00 -0.04 -0.04 0.93 0.91 1m5hB1 LEU 1293 HD23 0.03 0.01 -0.11 -0.04 0.89 0.77 1m5hB1 ASN 1294 H 0.07 0.07 -0.30 -0.55 8.53 7.83 1m5hB1 ASN 1294 HA 0.10 0.11 0.31 -0.75 4.76 4.52 1m5hB1 ASN 1294 HB2 0.04 -0.08 -0.02 -0.04 2.88 2.78 1m5hB1 ASN 1294 HB3 0.04 0.05 -0.09 -0.04 2.79 2.75 1m5hB1 ASN 1294 HD21 0.04 0.03 0.03 -0.04 7.03 7.09 1m5hB1 ASN 1294 HD22 0.03 -0.00 -0.01 -0.04 7.74 7.72 1m5hB1 GLU 1295 H 0.01 0.28 -0.37 -0.55 8.60 7.96 1m5hB1 GLU 1295 HA -0.01 0.20 0.63 -0.75 4.29 4.36 1m5hB1 GLU 1295 HB2 -0.03 0.06 0.04 -0.04 2.09 2.11 1m5hB1 GLU 1295 HB3 -0.03 -0.01 0.11 -0.04 1.99 2.02 1m5hB1 GLU 1295 HG2 -0.01 0.05 -0.06 -0.04 2.34 2.28 1m5hB1 GLU 1295 HG3 0.00 -0.12 -0.08 -0.04 2.34 2.10 1m5hB1 LEU 1296 H -0.13 0.40 -0.35 -0.55 8.37 7.74 1m5hB1 LEU 1296 HA -0.28 0.10 0.65 -0.75 4.35 4.08 1m5hB1 LEU 1296 HB2 -1.07 0.11 -0.02 -0.04 1.64 0.62 1m5hB1 LEU 1296 HB3 -0.72 -0.05 0.06 -0.04 1.64 0.89 1m5hB1 LEU 1296 HG -0.14 0.11 -0.05 -0.04 1.64 1.52 1m5hB1 LEU 1296 HD13 -0.14 -0.02 -0.12 -0.04 0.93 0.61 1m5hB1 LEU 1296 HD23 -0.13 -0.01 -0.17 -0.04 0.89 0.53 1m5hB1 PHE 1297 H -0.02 0.27 -0.28 -0.55 8.34 7.77 1m5hB1 PHE 1297 HA -0.02 0.23 0.68 -0.75 4.62 4.76 1m5hB1 PHE 1297 HB2 -0.02 0.04 -0.02 -0.04 3.15 3.11 1m5hB1 PHE 1297 HB3 -0.02 -0.00 0.01 -0.04 3.06 3.01 1m5hB1 PHE 1297 HD2 -0.03 0.07 -0.08 -0.04 7.28 7.19 1m5hB1 PHE 1297 HE2 -0.07 0.01 -0.07 -0.04 7.38 7.21 1m5hB1 PHE 1297 HZ -0.15 -0.00 -0.07 -0.04 7.32 7.06