============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 -9.983 21.491 10.379 -99.200 -91.000 HIS 48 0.900 17.671 -6.509 8.487 -99.200 -91.000 TYR 50 0.840 11.615 -3.140 14.986 -99.200 -91.000 PHE 82 1.000 11.148 27.775 0.207 -99.200 -91.000 TYR 106 0.840 3.786 29.887 11.614 -99.200 -91.000 PHE 110 1.000 11.656 18.285 15.137 -99.200 -91.000 PHE 129 1.000 2.409 18.688 15.212 -99.200 -91.000 TYR 132 0.840 5.985 27.837 21.281 -99.200 -91.000 TYR 157 0.840 -1.558 13.139 19.890 -99.200 -91.000 TYR 160 0.840 4.277 7.599 13.486 -99.200 -91.000 PHE 177 1.000 -7.337 16.782 10.400 -99.200 -91.000 PHE 186 1.000 -1.458 12.125 7.901 -99.200 -91.000 TYR 202 0.840 -4.566 4.106 38.477 -99.200 -91.000 TYR 208 0.840 9.759 5.589 37.590 -99.200 -91.000 PHE 212 1.000 4.672 7.290 41.811 -99.200 -91.000 TYR 219 0.840 -5.653 10.852 41.393 -99.200 -91.000 PHE 225 1.000 -7.621 -0.497 48.369 -99.200 -91.000 TYR 233 0.840 -11.119 7.029 38.246 -99.200 -91.000 TYR 237 0.840 3.150 4.449 32.196 -99.200 -91.000 HIS 246 0.900 -5.664 9.470 20.002 -99.200 -91.000 TYR 251 0.840 -10.945 4.529 25.061 -99.200 -91.000 PHE 255 1.000 0.965 10.206 30.657 -99.200 -91.000 TYR 257 0.840 7.573 9.860 33.911 -99.200 -91.000 TYR 272 0.840 12.153 18.047 23.237 -99.200 -91.000 TYR 279 0.840 -2.351 24.938 21.664 -99.200 -91.000 HIS 304 0.900 17.407 19.504 24.276 -99.200 -91.000 TYR 324 0.840 0.957 17.241 43.690 -99.200 -91.000 HIS 327 0.900 -0.605 15.250 51.242 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nuwA1 THR 1008 HA 0.01 -0.05 0.12 -0.75 4.39 3.72 1nuwA1 THR 1008 HB 0.01 -0.00 0.12 -0.04 4.32 4.41 1nuwA1 THR 1008 HG23 0.01 -0.00 0.03 -0.04 1.22 1.21 1nuwA1 ASN 1009 H 0.02 0.18 -0.06 -0.55 8.53 8.12 1nuwA1 ASN 1009 HA 0.02 0.17 0.72 -0.75 4.76 4.92 1nuwA1 ASN 1009 HB2 0.02 0.05 -0.08 -0.04 2.88 2.82 1nuwA1 ASN 1009 HB3 0.02 -0.03 0.14 -0.04 2.79 2.88 1nuwA1 ASN 1009 HD21 0.02 -0.02 -0.00 -0.04 7.03 6.99 1nuwA1 ASN 1009 HD22 0.02 -0.01 0.04 -0.04 7.74 7.75 1nuwA1 ILE 1010 H 0.03 0.13 -0.06 -0.55 8.25 7.79 1nuwA1 ILE 1010 HA 0.04 0.11 0.40 -0.75 4.18 3.97 1nuwA1 ILE 1010 HB 0.04 -0.04 -0.19 -0.04 1.89 1.66 1nuwA1 ILE 1010 HG12 0.02 0.01 -0.07 -0.04 1.49 1.41 1nuwA1 ILE 1010 HG13 0.02 0.04 -0.02 -0.04 1.21 1.21 1nuwA1 ILE 1010 HG23 0.02 0.01 -0.01 -0.04 0.93 0.91 1nuwA1 ILE 1010 HD13 0.03 -0.02 -0.03 -0.04 0.88 0.82 1nuwA1 VAL 1011 H 0.07 0.19 0.12 -0.55 8.24 8.07 1nuwA1 VAL 1011 HA 0.10 0.26 0.91 -0.75 4.13 4.65 1nuwA1 VAL 1011 HB 0.11 -0.03 0.25 -0.04 2.12 2.41 1nuwA1 VAL 1011 HG13 0.23 0.00 -0.11 -0.04 0.97 1.06 1nuwA1 VAL 1011 HG23 0.08 0.03 -0.03 -0.04 0.95 1.00 1nuwA1 THR 1012 H 0.10 0.22 0.13 -0.55 8.28 8.18 1nuwA1 THR 1012 HA 0.14 0.34 0.62 -0.75 4.39 4.75 1nuwA1 THR 1012 HB 0.06 -0.03 0.15 -0.04 4.32 4.47 1nuwA1 THR 1012 HG23 0.05 0.07 -0.09 -0.04 1.22 1.21 1nuwA1 LEU 1013 H 0.01 0.43 0.25 -0.55 8.37 8.51 1nuwA1 LEU 1013 HA -0.66 0.08 0.36 -0.75 4.35 3.38 1nuwA1 LEU 1013 HB2 -0.72 0.04 0.04 -0.04 1.64 0.96 1nuwA1 LEU 1013 HB3 -0.27 -0.04 0.10 -0.04 1.64 1.39 1nuwA1 LEU 1013 HG -1.01 0.01 -0.04 -0.04 1.64 0.55 1nuwA1 LEU 1013 HD13 -0.69 0.01 -0.10 -0.04 0.93 0.11 1nuwA1 LEU 1013 HD23 -0.27 0.00 -0.30 -0.04 0.89 0.29 1nuwA1 THR 1014 H -0.03 0.10 -0.14 -0.55 8.28 7.67 1nuwA1 THR 1014 HA -0.04 0.07 0.34 -0.75 4.39 4.01 1nuwA1 THR 1014 HB 0.01 -0.05 0.04 -0.04 4.32 4.29 1nuwA1 THR 1014 HG23 0.00 0.03 -0.15 -0.04 1.22 1.06 1nuwA1 ARG 1015 H 0.06 0.05 -0.26 -0.55 8.46 7.75 1nuwA1 ARG 1015 HA 0.03 0.07 0.40 -0.75 4.34 4.09 1nuwA1 ARG 1015 HB2 0.05 -0.02 0.11 -0.04 1.90 2.01 1nuwA1 ARG 1015 HB3 0.11 0.03 0.14 -0.04 1.80 2.03 1nuwA1 ARG 1015 HG2 0.06 0.02 -0.13 -0.04 1.67 1.58 1nuwA1 ARG 1015 HG3 0.04 0.01 0.02 -0.04 1.67 1.70 1nuwA1 ARG 1015 HD2 0.04 0.01 0.01 -0.04 3.22 3.25 1nuwA1 ARG 1015 HD3 0.07 -0.03 0.12 -0.04 3.22 3.33 1nuwA1 PHE 1016 H 0.24 0.53 -0.21 -0.55 8.34 8.35 1nuwA1 PHE 1016 HA 0.07 0.03 0.36 -0.75 4.62 4.33 1nuwA1 PHE 1016 HB2 0.27 0.03 0.00 -0.04 3.15 3.40 1nuwA1 PHE 1016 HB3 0.08 0.09 0.10 -0.04 3.06 3.29 1nuwA1 PHE 1016 HD2 0.14 0.00 -0.16 -0.04 7.28 7.22 1nuwA1 PHE 1016 HE2 0.08 0.01 -0.09 -0.04 7.38 7.34 1nuwA1 PHE 1016 HZ 0.06 0.04 -0.11 -0.04 7.32 7.27 1nuwA1 VAL 1017 H 0.13 0.62 -0.12 -0.55 8.24 8.32 1nuwA1 VAL 1017 HA 0.04 0.02 0.38 -0.75 4.13 3.82 1nuwA1 VAL 1017 HB -0.00 0.04 0.10 -0.04 2.12 2.22 1nuwA1 VAL 1017 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.74 1nuwA1 VAL 1017 HG23 0.06 0.04 -0.04 -0.04 0.95 0.97 1nuwA1 MET 1018 H 0.00 0.65 -0.11 -0.55 8.47 8.46 1nuwA1 MET 1018 HA -0.02 -0.06 0.46 -0.75 4.52 4.15 1nuwA1 MET 1018 HB2 -0.00 0.15 0.18 -0.04 2.15 2.44 1nuwA1 MET 1018 HB3 -0.01 -0.03 -0.05 -0.04 2.03 1.90 1nuwA1 MET 1018 HG2 -0.01 -0.11 0.04 -0.04 2.63 2.51 1nuwA1 MET 1018 HG3 -0.00 0.20 0.04 -0.04 2.56 2.75 1nuwA1 MET 1018 HE3 -0.00 0.00 -0.04 -0.04 2.10 2.02 1nuwA1 GLU 1019 H -0.07 0.58 -0.21 -0.55 8.60 8.35 1nuwA1 GLU 1019 HA -0.06 0.03 0.68 -0.75 4.29 4.19 1nuwA1 GLU 1019 HB2 -0.20 0.09 0.11 -0.04 2.09 2.05 1nuwA1 GLU 1019 HB3 -0.10 -0.03 0.05 -0.04 1.99 1.87 1nuwA1 GLU 1019 HG2 -0.03 -0.05 -0.02 -0.04 2.34 2.20 1nuwA1 GLU 1019 HG3 -0.03 0.39 0.12 -0.04 2.34 2.77 1nuwA1 GLU 1020 H -0.23 0.50 -0.11 -0.55 8.60 8.22 1nuwA1 GLU 1020 HA -0.14 0.02 0.42 -0.75 4.29 3.84 1nuwA1 GLU 1020 HB2 -0.14 -0.03 0.10 -0.04 2.09 1.97 1nuwA1 GLU 1020 HB3 -0.08 0.15 0.24 -0.04 1.99 2.26 1nuwA1 GLU 1020 HG2 -0.02 0.00 -0.35 -0.04 2.34 1.93 1nuwA1 GLU 1020 HG3 0.00 -0.06 -0.02 -0.04 2.34 2.23 1nuwA1 GLY 1021 H -0.04 0.54 -0.15 -0.55 8.43 8.22 1nuwA1 GLY 1021 HA2 -0.01 -0.07 0.34 -0.51 4.01 3.77 1nuwA1 GLY 1021 HA3 -0.01 0.01 0.19 -0.51 4.01 3.69 1nuwA1 ARG 1022 H -0.05 0.22 -0.39 -0.55 8.46 7.70 1nuwA1 ARG 1022 HA -0.02 -0.03 0.22 -0.75 4.34 3.75 1nuwA1 ARG 1022 HB2 -0.04 0.09 0.18 -0.04 1.90 2.09 1nuwA1 ARG 1022 HB3 -0.02 -0.05 0.03 -0.04 1.80 1.73 1nuwA1 ARG 1022 HG2 -0.02 0.14 0.01 -0.04 1.67 1.76 1nuwA1 ARG 1022 HG3 -0.02 -0.08 -0.00 -0.04 1.67 1.52 1nuwA1 ARG 1022 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.11 1nuwA1 ARG 1022 HD3 -0.01 0.03 0.02 -0.04 3.22 3.22 1nuwA1 LYS 1023 H -0.04 0.48 -0.19 -0.55 8.42 8.11 1nuwA1 LYS 1023 HA -0.02 -0.03 0.47 -0.75 4.32 3.98 1nuwA1 LYS 1023 HB2 -0.05 0.17 0.21 -0.04 1.87 2.16 1nuwA1 LYS 1023 HB3 -0.02 -0.07 0.00 -0.04 1.79 1.66 1nuwA1 LYS 1023 HG2 -0.05 -0.02 0.02 -0.04 1.46 1.37 1nuwA1 LYS 1023 HG3 -0.04 -0.07 0.02 -0.04 1.46 1.33 1nuwA1 LYS 1023 HD2 -0.01 -0.04 0.04 -0.04 1.69 1.64 1nuwA1 LYS 1023 HD3 -0.02 0.08 0.16 -0.04 1.68 1.86 1nuwA1 LYS 1023 HE2 -0.01 -0.00 0.02 -0.04 2.99 2.95 1nuwA1 LYS 1023 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.91 1nuwA1 ALA 1024 H -0.01 0.22 -0.33 -0.55 8.40 7.74 1nuwA1 ALA 1024 HA 0.00 0.16 0.93 -0.75 4.34 4.68 1nuwA1 ALA 1024 HB3 0.01 -0.04 0.16 -0.04 1.41 1.50 1nuwA1 ARG 1025 H 0.01 0.09 0.12 -0.55 8.46 8.13 1nuwA1 ARG 1025 HA 0.00 0.06 0.38 -0.75 4.34 4.04 1nuwA1 ARG 1025 HB2 0.00 0.22 0.24 -0.04 1.90 2.32 1nuwA1 ARG 1025 HB3 0.00 -0.07 -0.15 -0.04 1.80 1.54 1nuwA1 ARG 1025 HG2 0.00 -0.06 -0.26 -0.04 1.67 1.32 1nuwA1 ARG 1025 HG3 0.00 -0.09 -0.07 -0.04 1.67 1.47 1nuwA1 ARG 1025 HD2 -0.00 0.01 0.04 -0.04 3.22 3.22 1nuwA1 ARG 1025 HD3 0.00 0.04 0.00 -0.04 3.22 3.23 1nuwA1 GLY 1026 H 0.00 0.23 0.11 -0.55 8.43 8.23 1nuwA1 GLY 1026 HA2 0.00 0.05 0.33 -0.51 4.01 3.88 1nuwA1 GLY 1026 HA3 0.01 0.17 1.02 -0.51 4.01 4.69 1nuwA1 THR 1027 H 0.02 0.22 0.13 -0.55 8.28 8.11 1nuwA1 THR 1027 HA 0.02 0.19 1.02 -0.75 4.39 4.87 1nuwA1 THR 1027 HB 0.05 0.01 0.19 -0.04 4.32 4.53 1nuwA1 THR 1027 HG23 0.03 -0.27 0.03 -0.04 1.22 0.97 1nuwA1 GLY 1028 H 0.02 0.29 0.18 -0.55 8.43 8.37 1nuwA1 GLY 1028 HA2 0.02 0.09 0.52 -0.51 4.01 4.13 1nuwA1 GLY 1028 HA3 0.02 0.14 0.34 -0.51 4.01 4.00 1nuwA1 GLU 1029 H 0.08 0.12 -0.39 -0.55 8.60 7.87 1nuwA1 GLU 1029 HA 0.09 0.18 0.50 -0.75 4.29 4.31 1nuwA1 GLU 1029 HB2 0.17 -0.01 0.10 -0.04 2.09 2.31 1nuwA1 GLU 1029 HB3 0.30 0.03 -0.01 -0.04 1.99 2.26 1nuwA1 GLU 1029 HG2 0.10 0.19 0.08 -0.04 2.34 2.67 1nuwA1 GLU 1029 HG3 0.05 -0.03 0.06 -0.04 2.34 2.38 1nuwA1 MET 1030 H 0.15 0.23 -0.14 -0.55 8.47 8.15 1nuwA1 MET 1030 HA -0.18 0.08 0.42 -0.75 4.52 4.09 1nuwA1 MET 1030 HB2 -0.09 0.06 0.05 -0.04 2.15 2.13 1nuwA1 MET 1030 HB3 -0.00 0.04 0.03 -0.04 2.03 2.06 1nuwA1 MET 1030 HG2 -0.08 0.08 -0.06 -0.04 2.63 2.52 1nuwA1 MET 1030 HG3 -0.09 -0.05 -0.25 -0.04 2.56 2.13 1nuwA1 MET 1030 HE3 -0.45 0.03 -0.11 -0.04 2.10 1.52 1nuwA1 THR 1031 H 0.01 0.13 -0.38 -0.55 8.28 7.49 1nuwA1 THR 1031 HA -0.04 0.01 0.35 -0.75 4.39 3.96 1nuwA1 THR 1031 HB 0.00 0.16 0.06 -0.04 4.32 4.50 1nuwA1 THR 1031 HG23 -0.02 -0.00 -0.05 -0.04 1.22 1.11 1nuwA1 GLN 1032 H 0.02 0.47 -0.16 -0.55 8.47 8.25 1nuwA1 GLN 1032 HA 0.00 0.01 0.44 -0.75 4.36 4.06 1nuwA1 GLN 1032 HB2 0.06 0.09 0.16 -0.04 2.15 2.42 1nuwA1 GLN 1032 HB3 0.06 0.00 0.06 -0.04 2.02 2.10 1nuwA1 GLN 1032 HG2 0.04 0.00 0.04 -0.04 2.40 2.44 1nuwA1 GLN 1032 HG3 0.03 0.00 0.07 -0.04 2.39 2.45 1nuwA1 GLN 1032 HE21 0.08 -0.02 -0.03 -0.04 6.97 6.97 1nuwA1 GLN 1032 HE22 0.13 0.37 0.03 -0.04 7.69 8.18 1nuwA1 LEU 1033 H -0.01 0.59 -0.15 -0.55 8.37 8.25 1nuwA1 LEU 1033 HA -0.06 0.03 0.35 -0.75 4.35 3.92 1nuwA1 LEU 1033 HB2 -0.02 0.00 0.08 -0.04 1.64 1.66 1nuwA1 LEU 1033 HB3 -0.15 0.00 0.11 -0.04 1.64 1.56 1nuwA1 LEU 1033 HG -0.06 0.00 -0.08 -0.04 1.64 1.47 1nuwA1 LEU 1033 HD13 -0.15 -0.00 -0.12 -0.04 0.93 0.61 1nuwA1 LEU 1033 HD23 -0.18 -0.03 -0.23 -0.04 0.89 0.41 1nuwA1 LEU 1034 H -0.12 0.63 -0.13 -0.55 8.37 8.21 1nuwA1 LEU 1034 HA -0.26 -0.01 0.33 -0.75 4.35 3.66 1nuwA1 LEU 1034 HB2 -0.13 0.07 0.06 -0.04 1.64 1.59 1nuwA1 LEU 1034 HB3 -0.20 -0.08 -0.08 -0.04 1.64 1.24 1nuwA1 LEU 1034 HG -0.16 0.09 -0.02 -0.04 1.64 1.50 1nuwA1 LEU 1034 HD13 -0.07 -0.01 -0.11 -0.04 0.93 0.70 1nuwA1 LEU 1034 HD23 -0.24 -0.01 -0.15 -0.04 0.89 0.45 1nuwA1 ASN 1035 H -0.09 0.73 -0.10 -0.55 8.53 8.53 1nuwA1 ASN 1035 HA -0.08 -0.08 0.49 -0.75 4.76 4.34 1nuwA1 ASN 1035 HB2 -0.04 0.19 0.18 -0.04 2.88 3.17 1nuwA1 ASN 1035 HB3 -0.03 -0.02 -0.03 -0.04 2.79 2.68 1nuwA1 ASN 1035 HD21 -0.01 -0.08 -0.03 -0.04 7.03 6.86 1nuwA1 ASN 1035 HD22 -0.01 0.05 -0.04 -0.04 7.74 7.70 1nuwA1 SER 1036 H -0.07 0.64 -0.27 -0.55 8.46 8.21 1nuwA1 SER 1036 HA -0.06 0.00 0.40 -0.75 4.49 4.08 1nuwA1 SER 1036 HB2 -0.09 0.09 0.09 -0.04 3.95 4.00 1nuwA1 SER 1036 HB3 -0.08 -0.04 -0.10 -0.04 3.93 3.67 1nuwA1 LEU 1037 H -0.18 0.63 -0.10 -0.55 8.37 8.18 1nuwA1 LEU 1037 HA -0.21 -0.03 0.32 -0.75 4.35 3.68 1nuwA1 LEU 1037 HB2 -0.33 0.05 0.02 -0.04 1.64 1.34 1nuwA1 LEU 1037 HB3 -0.36 0.09 0.09 -0.04 1.64 1.42 1nuwA1 LEU 1037 HG -0.42 -0.06 -0.23 -0.04 1.64 0.89 1nuwA1 LEU 1037 HD13 -0.32 -0.02 -0.06 -0.04 0.93 0.49 1nuwA1 LEU 1037 HD23 -1.21 -0.00 -0.17 -0.04 0.89 -0.53 1nuwA1 CYS 1038 H -0.18 0.66 -0.29 -0.55 8.50 8.14 1nuwA1 CYS 1038 HA -0.23 -0.07 0.35 -0.75 4.58 3.86 1nuwA1 CYS 1038 HB2 -0.06 0.25 0.15 -0.04 2.97 3.27 1nuwA1 CYS 1038 HB3 0.13 -0.08 -0.04 -0.04 2.97 2.94 1nuwA1 THR 1039 H -0.04 0.49 -0.24 -0.55 8.28 7.95 1nuwA1 THR 1039 HA 0.04 0.01 0.46 -0.75 4.39 4.15 1nuwA1 THR 1039 HB -0.03 0.19 0.17 -0.04 4.32 4.61 1nuwA1 THR 1039 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.06 1nuwA1 ALA 1040 H -0.06 0.45 -0.10 -0.55 8.40 8.14 1nuwA1 ALA 1040 HA -0.03 0.02 0.44 -0.75 4.34 4.01 1nuwA1 ALA 1040 HB3 -0.09 0.03 -0.05 -0.04 1.41 1.26 1nuwA1 VAL 1041 H -0.01 0.66 -0.14 -0.55 8.24 8.21 1nuwA1 VAL 1041 HA 0.18 -0.02 0.40 -0.75 4.13 3.93 1nuwA1 VAL 1041 HB 0.07 0.11 0.08 -0.04 2.12 2.34 1nuwA1 VAL 1041 HG13 0.32 -0.03 -0.17 -0.04 0.97 1.04 1nuwA1 VAL 1041 HG23 -0.02 0.03 -0.05 -0.04 0.95 0.87 1nuwA1 LYS 1042 H 0.16 0.67 -0.18 -0.55 8.42 8.52 1nuwA1 LYS 1042 HA 0.12 -0.03 0.42 -0.75 4.32 4.07 1nuwA1 LYS 1042 HB2 0.06 0.16 0.12 -0.04 1.87 2.17 1nuwA1 LYS 1042 HB3 0.01 -0.03 -0.04 -0.04 1.79 1.69 1nuwA1 LYS 1042 HG2 -0.08 -0.11 -0.09 -0.04 1.46 1.14 1nuwA1 LYS 1042 HG3 0.33 0.15 -0.00 -0.04 1.46 1.90 1nuwA1 LYS 1042 HD2 -0.05 -0.03 -0.08 -0.04 1.69 1.49 1nuwA1 LYS 1042 HD3 -0.04 -0.10 -0.25 -0.04 1.68 1.25 1nuwA1 LYS 1042 HE2 0.11 -0.04 -0.20 -0.04 2.99 2.82 1nuwA1 LYS 1042 HE3 0.04 0.01 0.01 -0.04 2.99 3.01 1nuwA1 ALA 1043 H 0.02 0.53 -0.19 -0.55 8.40 8.22 1nuwA1 ALA 1043 HA -0.02 0.03 0.47 -0.75 4.34 4.06 1nuwA1 ALA 1043 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 1nuwA1 ILE 1044 H -0.01 0.65 -0.12 -0.55 8.25 8.21 1nuwA1 ILE 1044 HA -0.12 -0.01 0.42 -0.75 4.18 3.72 1nuwA1 ILE 1044 HB -0.06 0.08 0.15 -0.04 1.89 2.02 1nuwA1 ILE 1044 HG12 -0.04 -0.10 0.02 -0.04 1.49 1.32 1nuwA1 ILE 1044 HG13 -0.03 0.12 0.04 -0.04 1.21 1.30 1nuwA1 ILE 1044 HG23 -0.40 -0.01 -0.10 -0.04 0.93 0.38 1nuwA1 ILE 1044 HD13 0.05 0.02 -0.03 -0.04 0.88 0.87 1nuwA1 SER 1045 H -0.04 0.68 -0.12 -0.55 8.46 8.43 1nuwA1 SER 1045 HA -0.32 -0.04 0.31 -0.75 4.49 3.69 1nuwA1 SER 1045 HB2 0.29 0.01 0.07 -0.04 3.95 4.28 1nuwA1 SER 1045 HB3 0.06 0.12 0.12 -0.04 3.93 4.20 1nuwA1 THR 1046 H -0.04 0.60 -0.22 -0.55 8.28 8.07 1nuwA1 THR 1046 HA -0.03 0.01 0.40 -0.75 4.39 4.02 1nuwA1 THR 1046 HB -0.03 0.08 0.11 -0.04 4.32 4.43 1nuwA1 THR 1046 HG23 -0.03 -0.02 -0.10 -0.04 1.22 1.04 1nuwA1 ALA 1047 H -0.08 0.52 -0.19 -0.55 8.40 8.11 1nuwA1 ALA 1047 HA -0.07 0.01 0.40 -0.75 4.34 3.93 1nuwA1 ALA 1047 HB3 -0.08 0.01 0.07 -0.04 1.41 1.37 1nuwA1 VAL 1048 H -0.15 0.72 -0.10 -0.55 8.24 8.17 1nuwA1 VAL 1048 HA -0.06 -0.06 0.42 -0.75 4.13 3.67 1nuwA1 VAL 1048 HB -0.20 0.12 0.11 -0.04 2.12 2.11 1nuwA1 VAL 1048 HG13 0.02 -0.01 -0.14 -0.04 0.97 0.80 1nuwA1 VAL 1048 HG23 -0.23 -0.00 -0.02 -0.04 0.95 0.66 1nuwA1 ARG 1049 H -0.05 0.60 -0.23 -0.55 8.46 8.23 1nuwA1 ARG 1049 HA 0.02 0.04 0.38 -0.75 4.34 4.03 1nuwA1 ARG 1049 HB2 -0.01 0.00 0.13 -0.04 1.90 1.97 1nuwA1 ARG 1049 HB3 -0.00 0.00 0.03 -0.04 1.80 1.79 1nuwA1 ARG 1049 HG2 0.01 0.00 -0.00 -0.04 1.67 1.64 1nuwA1 ARG 1049 HG3 0.03 -0.00 0.03 -0.04 1.67 1.68 1nuwA1 ARG 1049 HD2 0.04 -0.05 -0.08 -0.04 3.22 3.09 1nuwA1 ARG 1049 HD3 0.02 0.22 -0.01 -0.04 3.22 3.40 1nuwA1 LYS 1050 H -0.05 0.36 -0.54 -0.55 8.42 7.63 1nuwA1 LYS 1050 HA -0.02 0.16 0.88 -0.75 4.32 4.59 1nuwA1 LYS 1050 HB2 -0.02 -0.10 0.15 -0.04 1.87 1.86 1nuwA1 LYS 1050 HB3 -0.02 0.04 -0.07 -0.04 1.79 1.70 1nuwA1 LYS 1050 HG2 -0.05 0.29 0.04 -0.04 1.46 1.70 1nuwA1 LYS 1050 HG3 -0.05 -0.09 -0.15 -0.04 1.46 1.12 1nuwA1 LYS 1050 HD2 -0.03 -0.05 -0.04 -0.04 1.69 1.53 1nuwA1 LYS 1050 HD3 -0.03 0.01 -0.05 -0.04 1.68 1.57 1nuwA1 LYS 1050 HE2 -0.04 0.01 -0.16 -0.04 2.99 2.76 1nuwA1 LYS 1050 HE3 -0.04 -0.02 -0.08 -0.04 2.99 2.81 1nuwA1 ALA 1051 H -0.09 0.47 -0.17 -0.55 8.40 8.07 1nuwA1 ALA 1051 HA -0.22 0.06 0.26 -0.75 4.34 3.69 1nuwA1 ALA 1051 HB3 -0.45 0.00 0.02 -0.04 1.41 0.94 1nuwA1 GLY 1052 H -0.18 0.22 -0.17 -0.55 8.43 7.76 1nuwA1 GLY 1052 HA2 -0.29 -0.00 0.51 -0.51 4.01 3.72 1nuwA1 GLY 1052 HA3 0.08 0.09 0.29 -0.51 4.01 3.97 1nuwA1 ILE 1053 H -0.04 0.28 -0.22 -0.55 8.25 7.72 1nuwA1 ILE 1053 HA 0.07 0.08 0.58 -0.75 4.18 4.15 1nuwA1 ILE 1053 HB -0.01 0.15 0.16 -0.04 1.89 2.15 1nuwA1 ILE 1053 HG12 0.02 0.00 0.04 -0.04 1.49 1.51 1nuwA1 ILE 1053 HG13 0.02 -0.09 -0.01 -0.04 1.21 1.09 1nuwA1 ILE 1053 HG23 0.01 -0.00 -0.07 -0.04 0.93 0.83 1nuwA1 ILE 1053 HD13 0.01 0.01 0.04 -0.04 0.88 0.90 1nuwA1 ALA 1054 H -0.04 0.31 -0.19 -0.55 8.40 7.93 1nuwA1 ALA 1054 HA -0.01 0.11 0.41 -0.75 4.34 4.09 1nuwA1 ALA 1054 HB3 -0.05 -0.01 0.01 -0.04 1.41 1.31 1nuwA1 HIS 1055 H 0.11 0.16 -0.70 -0.55 8.41 7.43 1nuwA1 HIS 1055 HA -0.06 0.01 0.32 -0.75 4.63 4.15 1nuwA1 HIS 1055 HB2 -0.03 0.16 -0.08 -0.04 3.26 3.27 1nuwA1 HIS 1055 HB3 -0.02 -0.06 0.22 -0.04 3.20 3.30 1nuwA1 HIS 1055 HD2 -0.00 -0.04 0.02 -0.04 6.97 6.90 1nuwA1 HIS 1055 HE1 -0.01 -0.02 0.04 -0.04 7.75 7.72 1nuwA1 LEU 1056 H -0.22 0.63 -0.00 -0.55 8.37 8.23 1nuwA1 LEU 1056 HA -0.04 0.19 0.60 -0.75 4.35 4.35 1nuwA1 LEU 1056 HB2 -0.23 0.01 0.03 -0.04 1.64 1.41 1nuwA1 LEU 1056 HB3 -0.11 -0.15 0.02 -0.04 1.64 1.36 1nuwA1 LEU 1056 HG -0.06 0.17 -0.27 -0.04 1.64 1.44 1nuwA1 LEU 1056 HD13 -0.08 -0.01 -0.08 -0.04 0.93 0.73 1nuwA1 LEU 1056 HD23 -0.03 0.00 -0.09 -0.04 0.89 0.73 1nuwA1 TYR 1057 H -0.11 0.11 -0.19 -0.55 8.29 7.56 1nuwA1 TYR 1057 HA 0.00 0.05 0.72 -0.75 4.56 4.57 1nuwA1 TYR 1057 HB2 -0.02 0.05 0.02 -0.04 3.06 3.07 1nuwA1 TYR 1057 HB3 -0.01 -0.06 0.07 -0.04 2.98 2.94 1nuwA1 TYR 1057 HD2 -0.01 -0.00 -0.07 -0.04 7.15 7.02 1nuwA1 TYR 1057 HE2 -0.01 0.04 -0.03 -0.04 6.85 6.81 1nuwA1 GLY 1058 H 0.13 0.02 0.14 -0.55 8.43 8.18 1nuwA1 GLY 1058 HA2 0.05 -0.01 0.33 -0.51 4.01 3.87 1nuwA1 GLY 1058 HA3 0.06 0.36 0.86 -0.51 4.01 4.77 1nuwA1 ILE 1059 H 0.03 0.20 0.17 -0.55 8.25 8.10 1nuwA1 ILE 1059 HA 0.03 0.02 0.77 -0.75 4.18 4.25 1nuwA1 ILE 1059 HB 0.02 0.02 0.08 -0.04 1.89 1.97 1nuwA1 ILE 1059 HG12 0.03 -0.13 -0.21 -0.04 1.49 1.14 1nuwA1 ILE 1059 HG13 0.02 0.02 -0.06 -0.04 1.21 1.15 1nuwA1 ILE 1059 HG23 0.02 0.07 -0.23 -0.04 0.93 0.75 1nuwA1 ILE 1059 HD13 0.02 0.01 -0.35 -0.04 0.88 0.52 1nuwA1 ALA 1060 H 0.02 0.71 0.21 -0.55 8.40 8.79 1nuwA1 ALA 1060 HA 0.01 0.15 0.55 -0.75 4.34 4.29 1nuwA1 ALA 1060 HB3 0.01 -0.04 -0.05 -0.04 1.41 1.29 1nuwA1 GLY 1061 H 0.01 -0.12 0.16 -0.55 8.43 7.93 1nuwA1 GLY 1061 HA2 0.01 0.12 0.34 -0.51 4.01 3.98 1nuwA1 GLY 1061 HA3 0.01 0.09 0.37 -0.51 4.01 3.96 1nuwA1 SER 1062 H 0.01 -0.03 0.25 -0.55 8.46 8.14 1nuwA1 SER 1062 HA 0.00 0.28 0.85 -0.75 4.49 4.86 1nuwA1 SER 1062 HB2 -0.00 0.05 0.15 -0.04 3.95 4.11 1nuwA1 SER 1062 HB3 0.00 0.08 -0.16 -0.04 3.93 3.81 1nuwA1 THR 1063 H -0.00 0.29 0.19 -0.55 8.28 8.21 1nuwA1 THR 1063 HA -0.00 0.18 0.99 -0.75 4.39 4.81 1nuwA1 THR 1063 HB -0.01 0.02 0.06 -0.04 4.32 4.35 1nuwA1 THR 1063 HG23 -0.00 0.00 -0.28 -0.04 1.22 0.90 1nuwA1 ASN 1064 H -0.01 0.57 0.19 -0.55 8.53 8.73 1nuwA1 ASN 1064 HA -0.04 0.20 0.52 -0.75 4.76 4.69 1nuwA1 ASN 1064 HB2 -0.07 0.03 0.21 -0.04 2.88 3.01 1nuwA1 ASN 1064 HB3 -0.03 0.01 0.08 -0.04 2.79 2.81 1nuwA1 ASN 1064 HD21 0.00 -0.03 -0.04 -0.04 7.03 6.92 1nuwA1 ASN 1064 HD22 -0.02 0.02 -0.07 -0.04 7.74 7.63 1nuwA1 VAL 1065 H -0.13 0.22 0.11 -0.55 8.24 7.89 1nuwA1 VAL 1065 HA -0.11 0.12 0.38 -0.75 4.13 3.76 1nuwA1 VAL 1065 HB -0.33 0.01 0.06 -0.04 2.12 1.82 1nuwA1 VAL 1065 HG13 -0.43 -0.02 0.00 -0.04 0.97 0.48 1nuwA1 VAL 1065 HG23 -0.66 0.00 -0.21 -0.04 0.95 0.04 1nuwA1 THR 1066 H -0.07 -0.05 -0.33 -0.55 8.28 7.29 1nuwA1 THR 1066 HA -0.03 0.37 1.05 -0.75 4.39 5.02 1nuwA1 THR 1066 HB -0.01 0.11 -0.11 -0.04 4.32 4.26 1nuwA1 THR 1066 HG23 0.02 -0.04 -0.02 -0.04 1.22 1.14 1nuwA1 GLY 1067 H -0.03 0.33 -0.32 -0.55 8.43 7.86 1nuwA1 GLY 1067 HA2 -0.01 0.09 0.21 -0.51 4.01 3.79 1nuwA1 GLY 1067 HA3 0.00 0.15 0.40 -0.51 4.01 4.05 1nuwA1 ASP 1068 H -0.00 -0.09 -0.18 -0.55 8.40 7.58 1nuwA1 ASP 1068 HA 0.02 0.18 0.56 -0.75 4.63 4.64 1nuwA1 ASP 1068 HB2 0.01 -0.11 -0.03 -0.04 2.71 2.54 1nuwA1 ASP 1068 HB3 0.02 0.08 -0.08 -0.04 2.70 2.68 1nuwA1 GLN 1069 H 0.02 0.16 0.20 -0.55 8.47 8.30 1nuwA1 GLN 1069 HA 0.01 0.16 0.49 -0.75 4.36 4.27 1nuwA1 GLN 1069 HB2 0.02 -0.06 0.21 -0.04 2.15 2.28 1nuwA1 GLN 1069 HB3 0.02 0.01 -0.02 -0.04 2.02 2.00 1nuwA1 GLN 1069 HG2 0.02 0.02 0.07 -0.04 2.40 2.47 1nuwA1 GLN 1069 HG3 0.02 0.02 0.01 -0.04 2.39 2.40 1nuwA1 GLN 1069 HE21 0.01 0.02 -0.08 -0.04 6.97 6.88 1nuwA1 GLN 1069 HE22 0.01 0.03 -0.02 -0.04 7.69 7.68 1nuwA1 VAL 1070 H 0.01 0.55 0.32 -0.55 8.24 8.57 1nuwA1 VAL 1070 HA 0.02 0.02 0.31 -0.75 4.13 3.72 1nuwA1 VAL 1070 HB 0.00 0.02 -0.00 -0.04 2.12 2.10 1nuwA1 VAL 1070 HG13 0.01 0.17 0.12 -0.04 0.97 1.23 1nuwA1 VAL 1070 HG23 0.01 0.00 -0.08 -0.04 0.95 0.84 1nuwA1 LYS 1071 H 0.03 0.07 0.25 -0.55 8.42 8.21 1nuwA1 LYS 1071 HA 0.03 0.27 0.84 -0.75 4.32 4.72 1nuwA1 LYS 1071 HB2 0.04 -0.25 0.12 -0.04 1.87 1.75 1nuwA1 LYS 1071 HB3 0.06 0.14 0.19 -0.04 1.79 2.13 1nuwA1 LYS 1071 HG2 0.04 -0.05 0.11 -0.04 1.46 1.52 1nuwA1 LYS 1071 HG3 0.05 0.02 0.08 -0.04 1.46 1.57 1nuwA1 LYS 1071 HD2 0.04 0.01 -0.10 -0.04 1.69 1.60 1nuwA1 LYS 1071 HD3 0.03 0.02 -0.34 -0.04 1.68 1.34 1nuwA1 LYS 1071 HE2 0.03 0.10 -0.03 -0.04 2.99 3.05 1nuwA1 LYS 1071 HE3 0.03 -0.10 -0.02 -0.04 2.99 2.86 1nuwA1 LYS 1072 H 0.04 0.77 0.10 -0.55 8.42 8.77 1nuwA1 LYS 1072 HA 0.02 0.00 0.36 -0.75 4.32 3.94 1nuwA1 LYS 1072 HB2 0.02 0.21 -0.08 -0.04 1.87 1.99 1nuwA1 LYS 1072 HB3 0.00 -0.01 -0.02 -0.04 1.79 1.73 1nuwA1 LYS 1072 HG2 0.02 -0.06 -0.14 -0.04 1.46 1.24 1nuwA1 LYS 1072 HG3 0.03 0.03 -0.50 -0.04 1.46 0.98 1nuwA1 LYS 1072 HD2 0.03 0.12 -0.13 -0.04 1.69 1.67 1nuwA1 LYS 1072 HD3 0.01 -0.00 -0.04 -0.04 1.68 1.61 1nuwA1 LYS 1072 HE2 0.03 0.03 0.02 -0.04 2.99 3.03 1nuwA1 LYS 1072 HE3 0.01 0.00 0.01 -0.04 2.99 2.98 1nuwA1 LEU 1073 H 0.03 0.16 -0.14 -0.55 8.37 7.88 1nuwA1 LEU 1073 HA -0.01 0.11 0.53 -0.75 4.35 4.24 1nuwA1 LEU 1073 HB2 0.05 -0.05 0.06 -0.04 1.64 1.65 1nuwA1 LEU 1073 HB3 0.01 -0.01 -0.03 -0.04 1.64 1.57 1nuwA1 LEU 1073 HG -0.01 0.22 -0.00 -0.04 1.64 1.80 1nuwA1 LEU 1073 HD13 0.04 -0.01 -0.06 -0.04 0.93 0.87 1nuwA1 LEU 1073 HD23 -0.06 0.01 -0.07 -0.04 0.89 0.73 1nuwA1 ASP 1074 H 0.03 0.14 -0.27 -0.55 8.40 7.75 1nuwA1 ASP 1074 HA 0.04 0.04 0.48 -0.75 4.63 4.44 1nuwA1 ASP 1074 HB2 0.02 0.19 0.18 -0.04 2.71 3.06 1nuwA1 ASP 1074 HB3 0.02 -0.01 0.01 -0.04 2.70 2.68 1nuwA1 VAL 1075 H 0.02 0.37 -0.18 -0.55 8.24 7.90 1nuwA1 VAL 1075 HA 0.02 0.02 0.38 -0.75 4.13 3.79 1nuwA1 VAL 1075 HB 0.01 0.16 0.14 -0.04 2.12 2.39 1nuwA1 VAL 1075 HG13 0.01 0.01 -0.08 -0.04 0.97 0.86 1nuwA1 VAL 1075 HG23 0.01 0.02 -0.00 -0.04 0.95 0.94 1nuwA1 LEU 1076 H 0.00 0.51 -0.04 -0.55 8.37 8.29 1nuwA1 LEU 1076 HA -0.01 0.04 0.39 -0.75 4.35 4.02 1nuwA1 LEU 1076 HB2 -0.02 0.07 0.10 -0.04 1.64 1.75 1nuwA1 LEU 1076 HB3 -0.02 -0.00 0.14 -0.04 1.64 1.73 1nuwA1 LEU 1076 HG -0.03 -0.02 -0.34 -0.04 1.64 1.21 1nuwA1 LEU 1076 HD13 -0.02 -0.00 -0.01 -0.04 0.93 0.85 1nuwA1 LEU 1076 HD23 -0.04 0.01 -0.06 -0.04 0.89 0.76 1nuwA1 SER 1077 H 0.01 0.60 -0.18 -0.55 8.46 8.34 1nuwA1 SER 1077 HA -0.01 0.04 0.43 -0.75 4.49 4.20 1nuwA1 SER 1077 HB2 0.04 0.00 0.01 -0.04 3.95 3.96 1nuwA1 SER 1077 HB3 0.00 0.00 0.08 -0.04 3.93 3.97 1nuwA1 ASN 1078 H 0.05 0.59 -0.23 -0.55 8.53 8.39 1nuwA1 ASN 1078 HA 0.18 -0.06 0.45 -0.75 4.76 4.58 1nuwA1 ASN 1078 HB2 0.07 0.07 0.16 -0.04 2.88 3.15 1nuwA1 ASN 1078 HB3 0.05 0.11 0.14 -0.04 2.79 3.04 1nuwA1 ASN 1078 HD21 0.04 -0.03 -0.13 -0.04 7.03 6.87 1nuwA1 ASN 1078 HD22 0.04 0.08 -0.10 -0.04 7.74 7.71 1nuwA1 ASP 1079 H 0.02 0.64 -0.12 -0.55 8.40 8.40 1nuwA1 ASP 1079 HA 0.02 -0.02 0.40 -0.75 4.63 4.28 1nuwA1 ASP 1079 HB2 -0.00 0.14 0.14 -0.04 2.71 2.95 1nuwA1 ASP 1079 HB3 -0.00 -0.03 -0.01 -0.04 2.70 2.62 1nuwA1 LEU 1080 H -0.01 0.56 -0.17 -0.55 8.37 8.20 1nuwA1 LEU 1080 HA -0.04 0.02 0.41 -0.75 4.35 3.98 1nuwA1 LEU 1080 HB2 -0.03 0.09 0.17 -0.04 1.64 1.83 1nuwA1 LEU 1080 HB3 -0.04 -0.07 0.01 -0.04 1.64 1.50 1nuwA1 LEU 1080 HG -0.02 0.07 0.04 -0.04 1.64 1.68 1nuwA1 LEU 1080 HD13 -0.03 -0.02 -0.15 -0.04 0.93 0.69 1nuwA1 LEU 1080 HD23 -0.03 -0.01 -0.01 -0.04 0.89 0.80 1nuwA1 VAL 1081 H -0.07 0.59 -0.15 -0.55 8.24 8.05 1nuwA1 VAL 1081 HA -0.21 0.01 0.30 -0.75 4.13 3.48 1nuwA1 VAL 1081 HB -0.36 0.04 0.14 -0.04 2.12 1.90 1nuwA1 VAL 1081 HG13 -1.09 -0.02 -0.16 -0.04 0.97 -0.34 1nuwA1 VAL 1081 HG23 -0.16 0.03 0.01 -0.04 0.95 0.79 1nuwA1 ILE 1082 H -0.03 0.68 -0.06 -0.55 8.25 8.28 1nuwA1 ILE 1082 HA -0.01 -0.03 0.30 -0.75 4.18 3.69 1nuwA1 ILE 1082 HB 0.03 0.11 0.12 -0.04 1.89 2.11 1nuwA1 ILE 1082 HG12 0.27 -0.07 -0.03 -0.04 1.49 1.62 1nuwA1 ILE 1082 HG13 0.26 0.09 0.07 -0.04 1.21 1.59 1nuwA1 ILE 1082 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.75 1nuwA1 ILE 1082 HD13 0.10 -0.03 -0.10 -0.04 0.88 0.81 1nuwA1 ASN 1083 H -0.04 0.62 -0.23 -0.55 8.53 8.33 1nuwA1 ASN 1083 HA -0.05 -0.01 0.37 -0.75 4.76 4.33 1nuwA1 ASN 1083 HB2 -0.04 0.13 0.13 -0.04 2.88 3.06 1nuwA1 ASN 1083 HB3 -0.04 -0.04 0.00 -0.04 2.79 2.67 1nuwA1 ASN 1083 HD21 -0.01 -0.06 -0.03 -0.04 7.03 6.89 1nuwA1 ASN 1083 HD22 -0.02 -0.01 -0.06 -0.04 7.74 7.62 1nuwA1 VAL 1084 H -0.09 0.59 -0.09 -0.55 8.24 8.10 1nuwA1 VAL 1084 HA -0.07 0.05 0.43 -0.75 4.13 3.78 1nuwA1 VAL 1084 HB -0.08 -0.04 0.02 -0.04 2.12 1.98 1nuwA1 VAL 1084 HG13 -0.06 0.04 0.02 -0.04 0.97 0.93 1nuwA1 VAL 1084 HG23 -0.14 0.02 -0.12 -0.04 0.95 0.67 1nuwA1 LEU 1085 H -0.12 0.58 -0.18 -0.55 8.37 8.10 1nuwA1 LEU 1085 HA -0.09 0.01 0.41 -0.75 4.35 3.93 1nuwA1 LEU 1085 HB2 -0.08 0.09 0.05 -0.04 1.64 1.66 1nuwA1 LEU 1085 HB3 -0.04 -0.08 -0.08 -0.04 1.64 1.39 1nuwA1 LEU 1085 HG -0.22 0.13 -0.01 -0.04 1.64 1.50 1nuwA1 LEU 1085 HD13 -0.23 -0.03 -0.13 -0.04 0.93 0.50 1nuwA1 LEU 1085 HD23 -0.15 -0.02 -0.10 -0.04 0.89 0.58 1nuwA1 LYS 1086 H -0.07 0.67 -0.07 -0.55 8.42 8.40 1nuwA1 LYS 1086 HA -0.08 -0.00 0.44 -0.75 4.32 3.92 1nuwA1 LYS 1086 HB2 -0.08 0.12 0.15 -0.04 1.87 2.02 1nuwA1 LYS 1086 HB3 -0.10 -0.05 -0.01 -0.04 1.79 1.59 1nuwA1 LYS 1086 HG2 -0.03 -0.08 -0.03 -0.04 1.46 1.28 1nuwA1 LYS 1086 HG3 -0.02 0.12 0.03 -0.04 1.46 1.54 1nuwA1 LYS 1086 HD2 -0.03 0.02 -0.09 -0.04 1.69 1.54 1nuwA1 LYS 1086 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.54 1nuwA1 LYS 1086 HE2 -0.00 -0.01 -0.09 -0.04 2.99 2.84 1nuwA1 LYS 1086 HE3 0.01 -0.03 -0.10 -0.04 2.99 2.82 1nuwA1 SER 1087 H -0.12 0.51 -0.22 -0.55 8.46 8.08 1nuwA1 SER 1087 HA -0.36 0.02 0.30 -0.75 4.49 3.69 1nuwA1 SER 1087 HB2 -0.10 -0.06 0.10 -0.04 3.95 3.85 1nuwA1 SER 1087 HB3 -0.11 -0.00 0.11 -0.04 3.93 3.89 1nuwA1 SER 1088 H -0.12 0.36 -0.59 -0.55 8.46 7.56 1nuwA1 SER 1088 HA 0.02 0.05 0.34 -0.75 4.49 4.15 1nuwA1 SER 1088 HB2 0.01 -0.10 -0.16 -0.04 3.95 3.66 1nuwA1 SER 1088 HB3 -0.04 0.10 0.07 -0.04 3.93 4.01 1nuwA1 PHE 1089 H -0.27 0.42 -0.25 -0.55 8.34 7.69 1nuwA1 PHE 1089 HA 0.01 0.37 0.28 -0.75 4.62 4.53 1nuwA1 PHE 1089 HB2 0.00 0.14 0.06 -0.04 3.15 3.31 1nuwA1 PHE 1089 HB3 0.01 -0.04 0.16 -0.04 3.06 3.14 1nuwA1 PHE 1089 HD2 -0.00 0.05 -0.08 -0.04 7.28 7.21 1nuwA1 PHE 1089 HE2 -0.00 0.03 0.03 -0.04 7.38 7.40 1nuwA1 PHE 1089 HZ -0.00 -0.08 -0.00 -0.04 7.32 7.19 1nuwA1 ALA 1090 H 0.06 0.09 -0.34 -0.55 8.40 7.67 1nuwA1 ALA 1090 HA 0.13 0.17 0.97 -0.75 4.34 4.86 1nuwA1 ALA 1090 HB3 0.15 -0.01 -0.03 -0.04 1.41 1.49 1nuwA1 THR 1091 H 0.05 0.34 0.04 -0.55 8.28 8.16 1nuwA1 THR 1091 HA 0.12 0.22 1.01 -0.75 4.39 4.99 1nuwA1 THR 1091 HB 0.08 0.02 -0.03 -0.04 4.32 4.35 1nuwA1 THR 1091 HG23 0.05 -0.02 -0.25 -0.04 1.22 0.96 1nuwA1 CYS 1092 H 0.07 0.48 0.28 -0.55 8.50 8.79 1nuwA1 CYS 1092 HA 0.03 0.20 1.00 -0.75 4.58 5.05 1nuwA1 CYS 1092 HB2 0.02 -0.07 0.04 -0.04 2.97 2.92 1nuwA1 CYS 1092 HB3 0.02 0.22 0.00 -0.04 2.97 3.17 1nuwA1 VAL 1093 H 0.06 0.23 0.28 -0.55 8.24 8.25 1nuwA1 VAL 1093 HA 0.03 0.35 0.94 -0.75 4.13 4.70 1nuwA1 VAL 1093 HB 0.04 -0.05 -0.00 -0.04 2.12 2.07 1nuwA1 VAL 1093 HG13 0.01 -0.00 -0.28 -0.04 0.97 0.66 1nuwA1 VAL 1093 HG23 0.01 0.01 -0.31 -0.04 0.95 0.63 1nuwA1 LEU 1094 H 0.05 0.72 0.31 -0.55 8.37 8.90 1nuwA1 LEU 1094 HA 0.14 0.32 1.04 -0.75 4.35 5.10 1nuwA1 LEU 1094 HB2 0.11 -0.08 0.06 -0.04 1.64 1.69 1nuwA1 LEU 1094 HB3 0.32 0.02 -0.02 -0.04 1.64 1.92 1nuwA1 LEU 1094 HG 0.07 -0.01 -0.31 -0.04 1.64 1.36 1nuwA1 LEU 1094 HD13 0.09 -0.00 -0.11 -0.04 0.93 0.86 1nuwA1 LEU 1094 HD23 0.11 0.04 -0.18 -0.04 0.89 0.83 1nuwA1 VAL 1095 H 0.03 0.78 0.40 -0.55 8.24 8.90 1nuwA1 VAL 1095 HA -0.11 0.13 0.90 -0.75 4.13 4.30 1nuwA1 VAL 1095 HB 0.00 0.00 0.13 -0.04 2.12 2.22 1nuwA1 VAL 1095 HG13 -0.09 0.01 -0.17 -0.04 0.97 0.68 1nuwA1 VAL 1095 HG23 -0.04 -0.00 -0.12 -0.04 0.95 0.75 1nuwA1 SER 1096 H -0.25 0.29 0.12 -0.55 8.46 8.07 1nuwA1 SER 1096 HA -1.12 0.39 1.06 -0.75 4.49 4.06 1nuwA1 SER 1096 HB2 -0.68 0.10 -0.01 -0.04 3.95 3.31 1nuwA1 SER 1096 HB3 -0.24 0.02 0.07 -0.04 3.93 3.74 1nuwA1 GLU 1097 H -0.81 0.47 0.35 -0.55 8.60 8.06 1nuwA1 GLU 1097 HA -0.48 0.11 0.51 -0.75 4.29 3.68 1nuwA1 GLU 1097 HB2 -0.56 0.03 0.20 -0.04 2.09 1.73 1nuwA1 GLU 1097 HB3 -0.21 -0.05 0.15 -0.04 1.99 1.84 1nuwA1 GLU 1097 HG2 -0.03 -0.04 -0.12 -0.04 2.34 2.11 1nuwA1 GLU 1097 HG3 0.15 0.04 0.07 -0.04 2.34 2.55 1nuwA1 GLU 1098 H -0.19 0.04 -0.32 -0.55 8.60 7.59 1nuwA1 GLU 1098 HA -0.07 0.05 0.54 -0.75 4.29 4.06 1nuwA1 GLU 1098 HB2 -0.03 0.04 -0.04 -0.04 2.09 2.03 1nuwA1 GLU 1098 HB3 -0.02 0.02 0.06 -0.04 1.99 2.01 1nuwA1 GLU 1098 HG2 -0.05 -0.09 0.04 -0.04 2.34 2.20 1nuwA1 GLU 1098 HG3 0.01 0.11 -0.01 -0.04 2.34 2.41 1nuwA1 ASP 1099 H -0.06 0.46 -0.32 -0.55 8.40 7.92 1nuwA1 ASP 1099 HA -0.01 0.17 0.99 -0.75 4.63 5.03 1nuwA1 ASP 1099 HB2 -0.03 -0.02 0.08 -0.04 2.71 2.70 1nuwA1 ASP 1099 HB3 0.01 0.06 0.03 -0.04 2.70 2.75 1nuwA1 LYS 1100 H 0.01 0.14 0.13 -0.55 8.42 8.14 1nuwA1 LYS 1100 HA 0.04 0.04 0.38 -0.75 4.32 4.03 1nuwA1 LYS 1100 HB2 -0.00 0.00 0.15 -0.04 1.87 1.97 1nuwA1 LYS 1100 HB3 0.02 -0.01 0.12 -0.04 1.79 1.87 1nuwA1 LYS 1100 HG2 0.02 0.02 0.00 -0.04 1.46 1.45 1nuwA1 LYS 1100 HG3 0.05 0.00 -0.07 -0.04 1.46 1.40 1nuwA1 LYS 1100 HD2 -0.05 -0.05 0.09 -0.04 1.69 1.63 1nuwA1 LYS 1100 HD3 -0.02 0.02 0.04 -0.04 1.68 1.68 1nuwA1 LYS 1100 HE2 0.02 -0.01 0.06 -0.04 2.99 3.02 1nuwA1 LYS 1100 HE3 -0.00 0.04 0.04 -0.04 2.99 3.02 1nuwA1 ASN 1101 H 0.04 0.05 -0.09 -0.55 8.53 7.99 1nuwA1 ASN 1101 HA 0.04 0.13 0.91 -0.75 4.76 5.09 1nuwA1 ASN 1101 HB2 0.02 -0.01 0.04 -0.04 2.88 2.88 1nuwA1 ASN 1101 HB3 0.01 0.07 0.07 -0.04 2.79 2.91 1nuwA1 ASN 1101 HD21 0.02 0.01 -0.03 -0.04 7.03 6.99 1nuwA1 ASN 1101 HD22 0.02 -0.04 0.07 -0.04 7.74 7.75 1nuwA1 ALA 1102 H -0.01 0.03 0.14 -0.55 8.40 8.02 1nuwA1 ALA 1102 HA -0.02 0.14 0.65 -0.75 4.34 4.36 1nuwA1 ALA 1102 HB3 -0.01 -0.02 0.01 -0.04 1.41 1.35 1nuwA1 ILE 1103 H 0.01 0.78 0.38 -0.55 8.25 8.87 1nuwA1 ILE 1103 HA 0.01 0.12 0.78 -0.75 4.18 4.34 1nuwA1 ILE 1103 HB 0.04 -0.07 0.15 -0.04 1.89 1.97 1nuwA1 ILE 1103 HG12 0.02 0.02 -0.04 -0.04 1.49 1.44 1nuwA1 ILE 1103 HG13 0.01 0.07 -0.11 -0.04 1.21 1.15 1nuwA1 ILE 1103 HG23 0.02 0.01 -0.21 -0.04 0.93 0.72 1nuwA1 ILE 1103 HD13 0.05 -0.02 -0.07 -0.04 0.88 0.80 1nuwA1 ILE 1104 H 0.01 0.18 0.08 -0.55 8.25 7.96 1nuwA1 ILE 1104 HA 0.01 0.22 0.85 -0.75 4.18 4.51 1nuwA1 ILE 1104 HB 0.01 -0.05 0.09 -0.04 1.89 1.89 1nuwA1 ILE 1104 HG12 0.01 -0.03 -0.09 -0.04 1.49 1.33 1nuwA1 ILE 1104 HG13 0.00 0.04 -0.03 -0.04 1.21 1.18 1nuwA1 ILE 1104 HG23 0.01 0.06 -0.09 -0.04 0.93 0.87 1nuwA1 ILE 1104 HD13 0.01 -0.02 -0.37 -0.04 0.88 0.45 1nuwA1 VAL 1105 H 0.02 0.67 0.10 -0.55 8.24 8.47 1nuwA1 VAL 1105 HA -0.00 -0.04 0.38 -0.75 4.13 3.71 1nuwA1 VAL 1105 HB 0.01 0.06 0.02 -0.04 2.12 2.17 1nuwA1 VAL 1105 HG13 -0.03 0.06 -0.17 -0.04 0.97 0.79 1nuwA1 VAL 1105 HG23 0.01 -0.03 -0.35 -0.04 0.95 0.55 1nuwA1 GLU 1106 H -0.01 0.04 0.12 -0.55 8.60 8.20 1nuwA1 GLU 1106 HA 0.00 0.15 0.38 -0.75 4.29 4.06 1nuwA1 GLU 1106 HB2 -0.01 -0.02 0.13 -0.04 2.09 2.15 1nuwA1 GLU 1106 HB3 0.00 -0.06 0.06 -0.04 1.99 1.95 1nuwA1 GLU 1106 HG2 0.00 0.02 0.06 -0.04 2.34 2.38 1nuwA1 GLU 1106 HG3 -0.00 0.05 0.03 -0.04 2.34 2.38 1nuwA1 PRO 1107 HA 0.02 0.13 0.39 -0.51 4.44 4.48 1nuwA1 PRO 1107 HB2 0.02 -0.02 0.10 -0.04 2.28 2.33 1nuwA1 PRO 1107 HB3 0.02 0.06 0.09 -0.04 2.02 2.14 1nuwA1 PRO 1107 HG2 0.01 0.02 0.10 -0.04 2.03 2.12 1nuwA1 PRO 1107 HG3 0.01 0.08 0.12 -0.04 2.03 2.20 1nuwA1 PRO 1107 HD2 0.01 0.05 0.21 -0.04 3.68 3.91 1nuwA1 PRO 1107 HD3 0.01 0.19 0.22 -0.04 3.65 4.03 1nuwA1 GLU 1108 H 0.03 0.06 -0.25 -0.55 8.60 7.90 1nuwA1 GLU 1108 HA 0.07 0.12 0.25 -0.75 4.29 3.98 1nuwA1 GLU 1108 HB2 0.10 0.04 0.12 -0.04 2.09 2.30 1nuwA1 GLU 1108 HB3 0.05 -0.04 0.07 -0.04 1.99 2.03 1nuwA1 GLU 1108 HG2 0.04 0.03 -0.12 -0.04 2.34 2.24 1nuwA1 GLU 1108 HG3 0.07 0.02 -0.07 -0.04 2.34 2.32 1nuwA1 LYS 1109 H 0.04 0.45 -0.48 -0.55 8.42 7.87 1nuwA1 LYS 1109 HA 0.17 0.21 0.89 -0.75 4.32 4.83 1nuwA1 LYS 1109 HB2 -0.09 -0.04 0.01 -0.04 1.87 1.70 1nuwA1 LYS 1109 HB3 -0.31 0.15 0.18 -0.04 1.79 1.77 1nuwA1 LYS 1109 HG2 -0.05 0.01 -0.39 -0.04 1.46 1.00 1nuwA1 LYS 1109 HG3 -0.09 -0.11 -0.10 -0.04 1.46 1.11 1nuwA1 LYS 1109 HD2 -0.31 -0.05 -0.18 -0.04 1.69 1.12 1nuwA1 LYS 1109 HD3 -0.93 0.08 -0.02 -0.04 1.68 0.77 1nuwA1 LYS 1109 HE2 -0.21 0.02 -0.04 -0.04 2.99 2.71 1nuwA1 LYS 1109 HE3 -0.06 0.01 -0.08 -0.04 2.99 2.82 1nuwA1 ARG 1110 H 0.06 0.27 -0.12 -0.55 8.46 8.12 1nuwA1 ARG 1110 HA 0.03 0.29 0.59 -0.75 4.34 4.49 1nuwA1 ARG 1110 HB2 0.03 0.00 0.03 -0.04 1.90 1.92 1nuwA1 ARG 1110 HB3 0.02 0.00 -0.05 -0.04 1.80 1.73 1nuwA1 ARG 1110 HG2 0.02 -0.04 -0.10 -0.04 1.67 1.51 1nuwA1 ARG 1110 HG3 0.02 0.03 -0.23 -0.04 1.67 1.45 1nuwA1 ARG 1110 HD2 0.02 -0.05 0.00 -0.04 3.22 3.15 1nuwA1 ARG 1110 HD3 0.01 -0.05 0.01 -0.04 3.22 3.15 1nuwA1 GLY 1111 H 0.04 0.37 -0.18 -0.55 8.43 8.12 1nuwA1 GLY 1111 HA2 0.03 0.17 0.53 -0.51 4.01 4.23 1nuwA1 GLY 1111 HA3 0.06 -0.02 0.06 -0.51 4.01 3.61 1nuwA1 LYS 1112 H -0.12 0.10 0.10 -0.55 8.42 7.95 1nuwA1 LYS 1112 HA -0.11 0.18 0.51 -0.75 4.32 4.15 1nuwA1 LYS 1112 HB2 -0.29 0.02 0.18 -0.04 1.87 1.74 1nuwA1 LYS 1112 HB3 -0.19 0.02 0.11 -0.04 1.79 1.69 1nuwA1 LYS 1112 HG2 -0.86 0.00 0.08 -0.04 1.46 0.64 1nuwA1 LYS 1112 HG3 -1.22 -0.01 -0.06 -0.04 1.46 0.12 1nuwA1 LYS 1112 HD2 -0.17 0.05 0.06 -0.04 1.69 1.59 1nuwA1 LYS 1112 HD3 -0.17 -0.09 0.06 -0.04 1.68 1.44 1nuwA1 LYS 1112 HE2 -0.12 0.05 0.04 -0.04 2.99 2.93 1nuwA1 LYS 1112 HE3 -0.05 -0.06 0.05 -0.04 2.99 2.89 1nuwA1 TYR 1113 H 0.05 0.54 0.01 -0.55 8.29 8.33 1nuwA1 TYR 1113 HA 0.05 0.22 0.87 -0.75 4.56 4.95 1nuwA1 TYR 1113 HB2 0.02 0.12 0.08 -0.04 3.06 3.24 1nuwA1 TYR 1113 HB3 0.04 0.02 -0.02 -0.04 2.98 2.98 1nuwA1 TYR 1113 HD2 0.02 0.20 -0.14 -0.04 7.15 7.19 1nuwA1 TYR 1113 HE2 0.01 -0.08 -0.13 -0.04 6.85 6.61 1nuwA1 VAL 1114 H 0.26 0.84 0.38 -0.55 8.24 9.17 1nuwA1 VAL 1114 HA 0.13 0.13 1.02 -0.75 4.13 4.65 1nuwA1 VAL 1114 HB 0.22 -0.01 0.05 -0.04 2.12 2.34 1nuwA1 VAL 1114 HG13 0.10 0.01 -0.26 -0.04 0.97 0.77 1nuwA1 VAL 1114 HG23 0.06 0.00 -0.17 -0.04 0.95 0.80 1nuwA1 VAL 1115 H 0.15 0.55 0.37 -0.55 8.24 8.75 1nuwA1 VAL 1115 HA 0.18 0.36 1.25 -0.75 4.13 5.16 1nuwA1 VAL 1115 HB 0.20 -0.06 0.10 -0.04 2.12 2.31 1nuwA1 VAL 1115 HG13 0.17 -0.00 -0.17 -0.04 0.97 0.94 1nuwA1 VAL 1115 HG23 0.07 0.01 -0.22 -0.04 0.95 0.76 1nuwA1 CYS 1116 H 0.23 0.68 0.40 -0.55 8.50 9.25 1nuwA1 CYS 1116 HA 0.08 0.20 1.08 -0.75 4.58 5.19 1nuwA1 CYS 1116 HB2 0.22 0.06 0.16 -0.04 2.97 3.37 1nuwA1 CYS 1116 HB3 0.23 -0.09 -0.13 -0.04 2.97 2.94 1nuwA1 PHE 1117 H -0.37 0.66 0.43 -0.55 8.34 8.50 1nuwA1 PHE 1117 HA 0.16 0.26 0.99 -0.75 4.62 5.27 1nuwA1 PHE 1117 HB2 0.11 0.08 0.04 -0.04 3.15 3.34 1nuwA1 PHE 1117 HB3 0.12 0.01 -0.22 -0.04 3.06 2.93 1nuwA1 PHE 1117 HD2 0.02 -0.03 -0.35 -0.04 7.28 6.89 1nuwA1 PHE 1117 HE2 -0.01 -0.02 -0.08 -0.04 7.38 7.23 1nuwA1 PHE 1117 HZ -0.02 0.01 -0.10 -0.04 7.32 7.17 1nuwA1 ASP 1118 H 0.27 0.71 0.35 -0.55 8.40 9.18 1nuwA1 ASP 1118 HA -0.07 0.00 0.87 -0.75 4.63 4.68 1nuwA1 ASP 1118 HB2 0.27 0.10 0.03 -0.04 2.71 3.07 1nuwA1 ASP 1118 HB3 0.17 -0.05 0.26 -0.04 2.70 3.03 1nuwA1 PRO 1119 HA 0.22 0.12 0.37 -0.51 4.44 4.64 1nuwA1 PRO 1119 HB2 0.13 0.01 -0.29 -0.04 2.28 2.09 1nuwA1 PRO 1119 HB3 0.32 0.07 -0.05 -0.04 2.02 2.32 1nuwA1 PRO 1119 HG2 0.09 0.03 0.10 -0.04 2.03 2.22 1nuwA1 PRO 1119 HG3 0.14 0.03 0.09 -0.04 2.03 2.24 1nuwA1 PRO 1119 HD2 -0.00 0.04 0.25 -0.04 3.68 3.93 1nuwA1 PRO 1119 HD3 0.03 0.16 0.14 -0.04 3.65 3.94 1nuwA1 LEU 1120 H 0.11 0.09 -0.17 -0.55 8.37 7.85 1nuwA1 LEU 1120 HA 0.16 0.42 0.71 -0.75 4.35 4.89 1nuwA1 LEU 1120 HB2 0.08 0.00 -0.21 -0.04 1.64 1.47 1nuwA1 LEU 1120 HB3 0.07 0.00 0.02 -0.04 1.64 1.69 1nuwA1 LEU 1120 HG 0.06 0.00 -0.18 -0.04 1.64 1.47 1nuwA1 LEU 1120 HD13 0.09 -0.01 -0.30 -0.04 0.93 0.68 1nuwA1 LEU 1120 HD23 0.09 0.00 0.00 -0.04 0.89 0.94 1nuwA1 ASP 1121 H 0.12 0.88 0.28 -0.55 8.40 9.13 1nuwA1 ASP 1121 HA 0.07 0.11 1.06 -0.75 4.63 5.12 1nuwA1 ASP 1121 HB2 0.09 0.07 -0.08 -0.04 2.71 2.75 1nuwA1 ASP 1121 HB3 0.04 -0.04 -0.02 -0.04 2.70 2.65 1nuwA1 GLY 1122 H 0.05 0.06 0.25 -0.55 8.43 8.25 1nuwA1 GLY 1122 HA2 0.03 0.05 0.42 -0.51 4.01 4.01 1nuwA1 GLY 1122 HA3 0.03 0.25 0.83 -0.51 4.01 4.62 1nuwA1 SER 1123 H 0.05 0.03 0.18 -0.55 8.46 8.18 1nuwA1 SER 1123 HA 0.05 0.09 0.27 -0.75 4.49 4.14 1nuwA1 SER 1123 HB2 0.04 0.10 0.04 -0.04 3.95 4.09 1nuwA1 SER 1123 HB3 0.05 0.03 0.13 -0.04 3.93 4.10 1nuwA1 SER 1124 H 0.05 0.06 -0.16 -0.55 8.46 7.86 1nuwA1 SER 1124 HA 0.03 0.09 0.43 -0.75 4.49 4.29 1nuwA1 SER 1124 HB2 0.04 0.06 0.11 -0.04 3.95 4.13 1nuwA1 SER 1124 HB3 0.06 -0.04 0.11 -0.04 3.93 4.02 1nuwA1 ASN 1125 H 0.02 0.38 -0.44 -0.55 8.53 7.95 1nuwA1 ASN 1125 HA -0.01 0.14 0.78 -0.75 4.76 4.93 1nuwA1 ASN 1125 HB2 0.01 0.04 -0.01 -0.04 2.88 2.88 1nuwA1 ASN 1125 HB3 0.01 0.09 -0.08 -0.04 2.79 2.76 1nuwA1 ASN 1125 HD21 -0.03 0.42 -0.17 -0.04 7.03 7.21 1nuwA1 ASN 1125 HD22 -0.02 -0.11 -0.43 -0.04 7.74 7.13 1nuwA1 ILE 1126 H 0.02 0.34 -0.16 -0.55 8.25 7.90 1nuwA1 ILE 1126 HA 0.04 0.16 0.40 -0.75 4.18 4.02 1nuwA1 ILE 1126 HB 0.04 0.01 0.17 -0.04 1.89 2.08 1nuwA1 ILE 1126 HG12 0.08 0.04 -0.06 -0.04 1.49 1.51 1nuwA1 ILE 1126 HG13 0.05 0.05 -0.03 -0.04 1.21 1.24 1nuwA1 ILE 1126 HG23 0.19 -0.00 -0.15 -0.04 0.93 0.92 1nuwA1 ILE 1126 HD13 0.07 -0.02 -0.00 -0.04 0.88 0.88 1nuwA1 ASP 1127 H -0.08 0.14 -0.07 -0.55 8.40 7.84 1nuwA1 ASP 1127 HA -0.74 0.09 0.40 -0.75 4.63 3.63 1nuwA1 ASP 1127 HB2 -0.11 0.04 0.06 -0.04 2.71 2.67 1nuwA1 ASP 1127 HB3 -0.20 0.07 0.07 -0.04 2.70 2.60 1nuwA1 CYS 1128 H -0.10 0.11 -0.44 -0.55 8.50 7.52 1nuwA1 CYS 1128 HA -0.11 0.22 0.83 -0.75 4.58 4.77 1nuwA1 CYS 1128 HB2 -0.04 0.02 0.16 -0.04 2.97 3.08 1nuwA1 CYS 1128 HB3 -0.05 -0.02 0.03 -0.04 2.97 2.89 1nuwA1 LEU 1129 H -0.12 0.40 -0.30 -0.55 8.37 7.80 1nuwA1 LEU 1129 HA 0.01 0.08 0.28 -0.75 4.35 3.96 1nuwA1 LEU 1129 HB2 -0.02 0.11 -0.42 -0.04 1.64 1.27 1nuwA1 LEU 1129 HB3 0.02 -0.04 0.17 -0.04 1.64 1.74 1nuwA1 LEU 1129 HG 0.08 0.02 0.02 -0.04 1.64 1.72 1nuwA1 LEU 1129 HD13 -0.06 0.01 -0.09 -0.04 0.93 0.75 1nuwA1 LEU 1129 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.85 1nuwA1 VAL 1130 H -0.01 0.10 -0.34 -0.55 8.24 7.43 1nuwA1 VAL 1130 HA 0.01 0.05 0.67 -0.75 4.13 4.10 1nuwA1 VAL 1130 HB -0.00 -0.02 0.09 -0.04 2.12 2.14 1nuwA1 VAL 1130 HG13 -0.01 0.02 0.03 -0.04 0.97 0.97 1nuwA1 VAL 1130 HG23 -0.00 0.04 -0.04 -0.04 0.95 0.91 1nuwA1 SER 1131 H 0.01 -0.00 0.14 -0.55 8.46 8.06 1nuwA1 SER 1131 HA 0.05 0.33 0.50 -0.75 4.49 4.62 1nuwA1 SER 1131 HB2 -0.01 -0.16 0.09 -0.04 3.95 3.82 1nuwA1 SER 1131 HB3 -0.01 -0.02 -0.08 -0.04 3.93 3.78 1nuwA1 ILE 1132 H 0.12 0.46 0.31 -0.55 8.25 8.59 1nuwA1 ILE 1132 HA 0.05 0.03 0.75 -0.75 4.18 4.25 1nuwA1 ILE 1132 HB 0.13 -0.07 0.11 -0.04 1.89 2.02 1nuwA1 ILE 1132 HG12 0.15 0.14 0.04 -0.04 1.49 1.79 1nuwA1 ILE 1132 HG13 0.29 -0.06 -0.12 -0.04 1.21 1.28 1nuwA1 ILE 1132 HG23 0.06 0.05 -0.27 -0.04 0.93 0.73 1nuwA1 ILE 1132 HD13 0.08 -0.01 -0.07 -0.04 0.88 0.84 1nuwA1 GLY 1133 H 0.14 0.39 0.37 -0.55 8.43 8.79 1nuwA1 GLY 1133 HA2 -0.19 0.09 0.81 -0.51 4.01 4.22 1nuwA1 GLY 1133 HA3 -0.04 0.01 0.35 -0.51 4.01 3.81 1nuwA1 THR 1134 H -0.01 0.61 0.44 -0.55 8.28 8.77 1nuwA1 THR 1134 HA 0.18 0.22 0.76 -0.75 4.39 4.79 1nuwA1 THR 1134 HB 0.15 -0.13 0.16 -0.04 4.32 4.45 1nuwA1 THR 1134 HG23 0.17 0.00 -0.08 -0.04 1.22 1.27 1nuwA1 ILE 1135 H 0.20 0.53 0.36 -0.55 8.25 8.78 1nuwA1 ILE 1135 HA 0.12 0.26 1.23 -0.75 4.18 5.04 1nuwA1 ILE 1135 HB 0.15 0.06 0.25 -0.04 1.89 2.30 1nuwA1 ILE 1135 HG12 0.01 0.05 -0.14 -0.04 1.49 1.37 1nuwA1 ILE 1135 HG13 0.08 -0.14 -0.25 -0.04 1.21 0.86 1nuwA1 ILE 1135 HG23 0.04 0.02 -0.01 -0.04 0.93 0.93 1nuwA1 ILE 1135 HD13 0.02 -0.03 -0.00 -0.04 0.88 0.83 1nuwA1 PHE 1136 H -0.30 0.68 0.42 -0.55 8.34 8.59 1nuwA1 PHE 1136 HA 0.16 0.30 1.09 -0.75 4.62 5.42 1nuwA1 PHE 1136 HB2 0.04 0.05 -0.01 -0.04 3.15 3.19 1nuwA1 PHE 1136 HB3 0.05 -0.03 -0.21 -0.04 3.06 2.84 1nuwA1 PHE 1136 HD2 -0.03 0.00 -0.37 -0.04 7.28 6.84 1nuwA1 PHE 1136 HE2 -0.10 -0.00 -0.31 -0.04 7.38 6.92 1nuwA1 PHE 1136 HZ -0.13 0.04 -0.22 -0.04 7.32 6.97 1nuwA1 GLY 1137 H 0.22 0.65 0.46 -0.55 8.43 9.20 1nuwA1 GLY 1137 HA2 -0.12 0.15 0.97 -0.51 4.01 4.50 1nuwA1 GLY 1137 HA3 -0.08 0.03 0.47 -0.51 4.01 3.92 1nuwA1 ILE 1138 H -0.26 0.78 0.46 -0.55 8.25 8.67 1nuwA1 ILE 1138 HA 0.02 0.32 1.19 -0.75 4.18 4.96 1nuwA1 ILE 1138 HB -0.13 -0.02 0.15 -0.04 1.89 1.85 1nuwA1 ILE 1138 HG12 -0.01 0.02 -0.15 -0.04 1.49 1.31 1nuwA1 ILE 1138 HG13 0.15 -0.12 -0.49 -0.04 1.21 0.71 1nuwA1 ILE 1138 HG23 -0.19 -0.01 -0.16 -0.04 0.93 0.54 1nuwA1 ILE 1138 HD13 -0.08 -0.01 -0.18 -0.04 0.88 0.56 1nuwA1 TYR 1139 H 0.21 0.73 0.45 -0.55 8.29 9.13 1nuwA1 TYR 1139 HA 0.04 0.16 0.95 -0.75 4.56 4.96 1nuwA1 TYR 1139 HB2 0.05 -0.05 0.01 -0.04 3.06 3.03 1nuwA1 TYR 1139 HB3 0.04 0.16 0.00 -0.04 2.98 3.14 1nuwA1 TYR 1139 HD2 0.02 0.07 -0.21 -0.04 7.15 7.00 1nuwA1 TYR 1139 HE2 -0.00 0.03 -0.17 -0.04 6.85 6.67 1nuwA1 ARG 1140 H 0.21 0.27 0.19 -0.55 8.46 8.59 1nuwA1 ARG 1140 HA 0.09 0.09 0.81 -0.75 4.34 4.58 1nuwA1 ARG 1140 HB2 0.10 0.02 0.12 -0.04 1.90 2.10 1nuwA1 ARG 1140 HB3 0.00 0.15 -0.06 -0.04 1.80 1.86 1nuwA1 ARG 1140 HG2 -0.20 -0.02 0.01 -0.04 1.67 1.41 1nuwA1 ARG 1140 HG3 0.31 -0.06 -0.04 -0.04 1.67 1.84 1nuwA1 ARG 1140 HD2 0.02 0.06 0.01 -0.04 3.22 3.26 1nuwA1 ARG 1140 HD3 -0.01 -0.04 0.02 -0.04 3.22 3.14 1nuwA1 LYS 1141 H -0.02 0.65 0.33 -0.55 8.42 8.82 1nuwA1 LYS 1141 HA 0.02 -0.04 0.73 -0.75 4.32 4.28 1nuwA1 LYS 1141 HB2 0.01 -0.05 0.06 -0.04 1.87 1.86 1nuwA1 LYS 1141 HB3 -0.02 0.09 0.21 -0.04 1.79 2.02 1nuwA1 LYS 1141 HG2 -0.01 -0.03 -0.13 -0.04 1.46 1.25 1nuwA1 LYS 1141 HG3 -0.00 -0.09 -0.02 -0.04 1.46 1.31 1nuwA1 LYS 1141 HD2 0.00 -0.11 -0.06 -0.04 1.69 1.48 1nuwA1 LYS 1141 HD3 -0.01 0.05 -0.03 -0.04 1.68 1.65 1nuwA1 LYS 1141 HE2 -0.01 -0.14 -0.26 -0.04 2.99 2.54 1nuwA1 LYS 1141 HE3 -0.00 0.00 -0.16 -0.04 2.99 2.79 1nuwA1 ASN 1142 H 0.00 0.15 0.18 -0.55 8.53 8.32 1nuwA1 ASN 1142 HA 0.01 0.12 0.56 -0.75 4.76 4.70 1nuwA1 ASN 1142 HB2 0.00 -0.03 0.20 -0.04 2.88 3.01 1nuwA1 ASN 1142 HB3 0.01 0.11 0.13 -0.04 2.79 3.00 1nuwA1 ASN 1142 HD21 -0.03 -0.01 -0.06 -0.04 7.03 6.89 1nuwA1 ASN 1142 HD22 -0.01 -0.01 0.07 -0.04 7.74 7.74 1nuwA1 SER 1143 H -0.01 0.43 -0.22 -0.55 8.46 8.12 1nuwA1 SER 1143 HA -0.01 0.05 0.34 -0.75 4.49 4.12 1nuwA1 SER 1143 HB2 -0.01 -0.23 0.15 -0.04 3.95 3.82 1nuwA1 SER 1143 HB3 -0.01 0.30 0.12 -0.04 3.93 4.30 1nuwA1 THR 1144 H -0.01 0.06 0.14 -0.55 8.28 7.93 1nuwA1 THR 1144 HA -0.01 0.19 0.68 -0.75 4.39 4.49 1nuwA1 THR 1144 HB -0.00 -0.05 0.08 -0.04 4.32 4.31 1nuwA1 THR 1144 HG23 -0.00 0.00 -0.18 -0.04 1.22 0.99 1nuwA1 ASP 1145 H -0.01 -0.08 0.01 -0.55 8.40 7.78 1nuwA1 ASP 1145 HA -0.00 0.06 0.38 -0.75 4.63 4.32 1nuwA1 ASP 1145 HB2 -0.00 0.06 0.02 -0.04 2.71 2.73 1nuwA1 ASP 1145 HB3 -0.00 -0.01 0.07 -0.04 2.70 2.71 1nuwA1 GLU 1146 H -0.00 0.03 0.10 -0.55 8.60 8.18 1nuwA1 GLU 1146 HA -0.00 0.13 0.35 -0.75 4.29 4.01 1nuwA1 GLU 1146 HB2 -0.00 -0.10 0.11 -0.04 2.09 2.06 1nuwA1 GLU 1146 HB3 0.00 0.12 -0.01 -0.04 1.99 2.06 1nuwA1 GLU 1146 HG2 0.00 -0.03 0.08 -0.04 2.34 2.34 1nuwA1 GLU 1146 HG3 0.00 -0.04 0.05 -0.04 2.34 2.31 1nuwA1 PRO 1147 HA -0.00 0.00 0.34 -0.51 4.44 4.27 1nuwA1 PRO 1147 HB2 0.01 0.03 -0.12 -0.04 2.28 2.16 1nuwA1 PRO 1147 HB3 0.01 0.01 0.01 -0.04 2.02 2.00 1nuwA1 PRO 1147 HG2 0.01 0.03 0.07 -0.04 2.03 2.09 1nuwA1 PRO 1147 HG3 0.01 0.09 0.05 -0.04 2.03 2.14 1nuwA1 PRO 1147 HD2 0.00 0.02 0.20 -0.04 3.68 3.87 1nuwA1 PRO 1147 HD3 0.00 0.22 0.13 -0.04 3.65 3.96 1nuwA1 SER 1148 H -0.00 0.19 0.17 -0.55 8.46 8.27 1nuwA1 SER 1148 HA -0.00 0.19 0.66 -0.75 4.49 4.59 1nuwA1 SER 1148 HB2 -0.01 -0.07 0.09 -0.04 3.95 3.93 1nuwA1 SER 1148 HB3 -0.00 0.29 -0.33 -0.04 3.93 3.84 1nuwA1 GLU 1149 H -0.01 0.23 0.11 -0.55 8.60 8.38 1nuwA1 GLU 1149 HA -0.02 0.06 0.34 -0.75 4.29 3.92 1nuwA1 GLU 1149 HB2 -0.01 0.02 0.16 -0.04 2.09 2.21 1nuwA1 GLU 1149 HB3 -0.01 0.04 0.10 -0.04 1.99 2.07 1nuwA1 GLU 1149 HG2 -0.03 0.06 -0.17 -0.04 2.34 2.15 1nuwA1 GLU 1149 HG3 -0.04 -0.01 0.06 -0.04 2.34 2.31 1nuwA1 LYS 1150 H -0.02 0.09 -0.31 -0.55 8.42 7.62 1nuwA1 LYS 1150 HA -0.04 0.08 0.37 -0.75 4.32 3.98 1nuwA1 LYS 1150 HB2 -0.03 0.09 0.05 -0.04 1.87 1.95 1nuwA1 LYS 1150 HB3 -0.02 -0.03 0.05 -0.04 1.79 1.75 1nuwA1 LYS 1150 HG2 -0.02 -0.08 -0.09 -0.04 1.46 1.23 1nuwA1 LYS 1150 HG3 -0.02 0.07 -0.26 -0.04 1.46 1.21 1nuwA1 LYS 1150 HD2 -0.02 0.05 -0.07 -0.04 1.69 1.61 1nuwA1 LYS 1150 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.59 1nuwA1 LYS 1150 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.86 1nuwA1 LYS 1150 HE3 -0.01 0.02 -0.09 -0.04 2.99 2.87 1nuwA1 ASP 1151 H -0.02 0.45 -0.37 -0.55 8.40 7.91 1nuwA1 ASP 1151 HA -0.05 0.12 0.46 -0.75 4.63 4.41 1nuwA1 ASP 1151 HB2 -0.01 0.11 0.04 -0.04 2.71 2.81 1nuwA1 ASP 1151 HB3 -0.01 -0.02 -0.02 -0.04 2.70 2.62 1nuwA1 ALA 1152 H -0.05 0.44 -0.33 -0.55 8.40 7.91 1nuwA1 ALA 1152 HA -0.14 0.13 0.66 -0.75 4.34 4.23 1nuwA1 ALA 1152 HB3 -0.04 -0.00 -0.02 -0.04 1.41 1.30 1nuwA1 LEU 1153 H -0.10 0.37 -0.43 -0.55 8.37 7.67 1nuwA1 LEU 1153 HA -0.11 0.06 0.56 -0.75 4.35 4.11 1nuwA1 LEU 1153 HB2 -0.06 0.11 0.17 -0.04 1.64 1.81 1nuwA1 LEU 1153 HB3 -0.06 0.17 0.07 -0.04 1.64 1.78 1nuwA1 LEU 1153 HG -0.06 0.00 -0.18 -0.04 1.64 1.36 1nuwA1 LEU 1153 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.69 1nuwA1 LEU 1153 HD23 -0.06 -0.04 -0.48 -0.04 0.89 0.27 1nuwA1 GLN 1154 H -0.34 0.39 -0.44 -0.55 8.47 7.53 1nuwA1 GLN 1154 HA -0.13 0.19 0.86 -0.75 4.36 4.52 1nuwA1 GLN 1154 HB2 -0.91 -0.05 -0.13 -0.04 2.15 1.03 1nuwA1 GLN 1154 HB3 -0.17 0.04 -0.01 -0.04 2.02 1.84 1nuwA1 GLN 1154 HG2 -0.14 0.02 -0.15 -0.04 2.40 2.08 1nuwA1 GLN 1154 HG3 -0.31 0.05 -0.31 -0.04 2.39 1.79 1nuwA1 GLN 1154 HE21 0.03 0.22 0.05 -0.04 6.97 7.23 1nuwA1 GLN 1154 HE22 -0.10 0.33 0.06 -0.04 7.69 7.94 1nuwA1 PRO 1155 HA 0.01 0.26 0.56 -0.51 4.44 4.76 1nuwA1 PRO 1155 HB2 0.04 0.07 0.04 -0.04 2.28 2.39 1nuwA1 PRO 1155 HB3 0.01 0.10 -0.20 -0.04 2.02 1.88 1nuwA1 PRO 1155 HG2 0.04 -0.07 0.05 -0.04 2.03 2.01 1nuwA1 PRO 1155 HG3 0.01 0.05 0.04 -0.04 2.03 2.09 1nuwA1 PRO 1155 HD2 -0.03 0.08 0.22 -0.04 3.68 3.91 1nuwA1 PRO 1155 HD3 -0.03 0.16 0.17 -0.04 3.65 3.91 1nuwA1 GLY 1156 H 0.08 0.20 0.19 -0.55 8.43 8.35 1nuwA1 GLY 1156 HA2 0.27 0.08 0.29 -0.51 4.01 4.14 1nuwA1 GLY 1156 HA3 0.11 -0.06 0.34 -0.51 4.01 3.90 1nuwA1 ARG 1157 H 0.09 0.52 -0.21 -0.55 8.46 8.31 1nuwA1 ARG 1157 HA 0.13 0.02 0.40 -0.75 4.34 4.13 1nuwA1 ARG 1157 HB2 0.07 -0.02 -0.05 -0.04 1.90 1.86 1nuwA1 ARG 1157 HB3 0.07 0.03 -0.07 -0.04 1.80 1.79 1nuwA1 ARG 1157 HG2 0.05 -0.02 -0.05 -0.04 1.67 1.62 1nuwA1 ARG 1157 HG3 0.08 0.06 0.02 -0.04 1.67 1.78 1nuwA1 ARG 1157 HD2 0.05 0.01 -0.01 -0.04 3.22 3.23 1nuwA1 ARG 1157 HD3 0.08 0.03 0.02 -0.04 3.22 3.30 1nuwA1 ASN 1158 H 0.19 0.53 -0.44 -0.55 8.53 8.26 1nuwA1 ASN 1158 HA 0.11 0.14 0.69 -0.75 4.76 4.95 1nuwA1 ASN 1158 HB2 0.27 0.13 -0.01 -0.04 2.88 3.23 1nuwA1 ASN 1158 HB3 0.20 -0.07 0.12 -0.04 2.79 3.00 1nuwA1 ASN 1158 HD21 0.02 -0.03 0.03 -0.04 7.03 7.01 1nuwA1 ASN 1158 HD22 0.02 -0.00 0.03 -0.04 7.74 7.75 1nuwA1 LEU 1159 H -0.02 0.47 -0.28 -0.55 8.37 7.98 1nuwA1 LEU 1159 HA -0.69 0.01 0.53 -0.75 4.35 3.44 1nuwA1 LEU 1159 HB2 -0.70 0.09 0.03 -0.04 1.64 1.02 1nuwA1 LEU 1159 HB3 -0.99 -0.10 -0.12 -0.04 1.64 0.38 1nuwA1 LEU 1159 HG -0.46 0.01 0.05 -0.04 1.64 1.21 1nuwA1 LEU 1159 HD13 -0.23 -0.03 -0.08 -0.04 0.93 0.55 1nuwA1 LEU 1159 HD23 -0.88 0.00 -0.05 -0.04 0.89 -0.08 1nuwA1 VAL 1160 H -0.27 0.64 0.51 -0.55 8.24 8.57 1nuwA1 VAL 1160 HA -0.02 0.23 0.97 -0.75 4.13 4.56 1nuwA1 VAL 1160 HB 0.04 -0.08 0.15 -0.04 2.12 2.18 1nuwA1 VAL 1160 HG13 0.08 0.02 0.00 -0.04 0.97 1.04 1nuwA1 VAL 1160 HG23 0.01 -0.00 -0.12 -0.04 0.95 0.81 1nuwA1 ALA 1161 H -0.33 0.35 0.30 -0.55 8.40 8.17 1nuwA1 ALA 1161 HA 0.01 0.33 0.67 -0.75 4.34 4.59 1nuwA1 ALA 1161 HB3 -0.02 -0.01 0.02 -0.04 1.41 1.35 1nuwA1 ALA 1162 H 0.03 0.68 0.40 -0.55 8.40 8.96 1nuwA1 ALA 1162 HA -0.26 0.11 0.62 -0.75 4.34 4.06 1nuwA1 ALA 1162 HB3 -0.17 0.00 0.15 -0.04 1.41 1.35 1nuwA1 GLY 1163 H -0.92 0.64 0.45 -0.55 8.43 8.05 1nuwA1 GLY 1163 HA2 -0.27 -0.01 0.31 -0.51 4.01 3.53 1nuwA1 GLY 1163 HA3 -0.50 0.31 0.87 -0.51 4.01 4.17 1nuwA1 TYR 1164 H -0.52 0.59 0.44 -0.55 8.29 8.24 1nuwA1 TYR 1164 HA -0.05 0.18 0.96 -0.75 4.56 4.90 1nuwA1 TYR 1164 HB2 -0.08 0.05 0.08 -0.04 3.06 3.07 1nuwA1 TYR 1164 HB3 -0.11 -0.00 0.01 -0.04 2.98 2.84 1nuwA1 TYR 1164 HD2 -0.12 0.01 -0.39 -0.04 7.15 6.60 1nuwA1 TYR 1164 HE2 -0.11 0.02 -0.14 -0.04 6.85 6.59 1nuwA1 ALA 1165 H 0.11 0.62 0.46 -0.55 8.40 9.05 1nuwA1 ALA 1165 HA -0.08 0.29 1.09 -0.75 4.34 4.88 1nuwA1 ALA 1165 HB3 -0.16 -0.01 0.05 -0.04 1.41 1.25 1nuwA1 LEU 1166 H -0.15 0.76 0.38 -0.55 8.37 8.81 1nuwA1 LEU 1166 HA -0.20 0.12 0.91 -0.75 4.35 4.42 1nuwA1 LEU 1166 HB2 -0.03 -0.00 -0.08 -0.04 1.64 1.48 1nuwA1 LEU 1166 HB3 -0.15 -0.02 0.20 -0.04 1.64 1.63 1nuwA1 LEU 1166 HG -0.09 0.00 -0.20 -0.04 1.64 1.31 1nuwA1 LEU 1166 HD13 -0.09 0.03 -0.23 -0.04 0.93 0.60 1nuwA1 LEU 1166 HD23 -0.22 0.00 -0.06 -0.04 0.89 0.57 1nuwA1 TYR 1167 H -0.20 0.67 0.27 -0.55 8.29 8.48 1nuwA1 TYR 1167 HA 0.03 0.09 0.78 -0.75 4.56 4.71 1nuwA1 TYR 1167 HB2 0.04 -0.06 0.15 -0.04 3.06 3.15 1nuwA1 TYR 1167 HB3 0.04 0.08 0.04 -0.04 2.98 3.10 1nuwA1 TYR 1167 HD2 0.05 -0.00 -0.23 -0.04 7.15 6.93 1nuwA1 TYR 1167 HE2 0.07 0.08 -0.17 -0.04 6.85 6.79 1nuwA1 GLY 1168 H 0.04 0.53 -0.01 -0.55 8.43 8.44 1nuwA1 GLY 1168 HA2 0.04 0.11 0.73 -0.51 4.01 4.38 1nuwA1 GLY 1168 HA3 0.01 -0.09 0.33 -0.51 4.01 3.74 1nuwA1 SER 1169 H 0.02 0.07 0.15 -0.55 8.46 8.15 1nuwA1 SER 1169 HA 0.03 0.14 0.51 -0.75 4.49 4.42 1nuwA1 SER 1169 HB2 0.02 0.04 0.11 -0.04 3.95 4.08 1nuwA1 SER 1169 HB3 0.02 -0.00 0.14 -0.04 3.93 4.05 1nuwA1 ALA 1170 H 0.02 0.05 -0.17 -0.55 8.40 7.75 1nuwA1 ALA 1170 HA 0.02 0.21 0.61 -0.75 4.34 4.43 1nuwA1 ALA 1170 HB3 0.01 0.01 -0.01 -0.04 1.41 1.38 1nuwA1 THR 1171 H 0.03 0.22 0.17 -0.55 8.28 8.15 1nuwA1 THR 1171 HA 0.04 0.40 1.15 -0.75 4.39 5.23 1nuwA1 THR 1171 HB 0.06 -0.03 0.17 -0.04 4.32 4.48 1nuwA1 THR 1171 HG23 0.24 -0.01 -0.17 -0.04 1.22 1.24 1nuwA1 MET 1172 H -0.04 0.50 0.38 -0.55 8.47 8.77 1nuwA1 MET 1172 HA 0.10 0.24 1.06 -0.75 4.52 5.17 1nuwA1 MET 1172 HB2 -0.07 0.00 -0.14 -0.04 2.15 1.90 1nuwA1 MET 1172 HB3 -0.18 0.00 0.05 -0.04 2.03 1.86 1nuwA1 MET 1172 HG2 -0.12 0.00 -0.16 -0.04 2.63 2.31 1nuwA1 MET 1172 HG3 -0.05 0.00 -0.29 -0.04 2.56 2.18 1nuwA1 MET 1172 HE3 0.04 0.01 -0.14 -0.04 2.10 1.97 1nuwA1 LEU 1173 H 0.17 0.87 0.39 -0.55 8.37 9.25 1nuwA1 LEU 1173 HA -0.10 0.23 1.02 -0.75 4.35 4.74 1nuwA1 LEU 1173 HB2 -0.47 0.00 0.01 -0.04 1.64 1.14 1nuwA1 LEU 1173 HB3 -0.15 0.00 0.14 -0.04 1.64 1.59 1nuwA1 LEU 1173 HG -0.61 0.00 -0.10 -0.04 1.64 0.88 1nuwA1 LEU 1173 HD13 -0.05 0.03 -0.32 -0.04 0.93 0.55 1nuwA1 LEU 1173 HD23 -0.16 -0.02 -0.17 -0.04 0.89 0.50 1nuwA1 VAL 1174 H -0.38 0.74 0.34 -0.55 8.24 8.39 1nuwA1 VAL 1174 HA -0.14 0.21 0.97 -0.75 4.13 4.42 1nuwA1 VAL 1174 HB -1.55 -0.07 0.17 -0.04 2.12 0.63 1nuwA1 VAL 1174 HG13 -0.20 0.01 -0.16 -0.04 0.97 0.58 1nuwA1 VAL 1174 HG23 -0.14 -0.01 -0.14 -0.04 0.95 0.62 1nuwA1 LEU 1175 H -0.00 0.71 0.36 -0.55 8.37 8.89 1nuwA1 LEU 1175 HA -0.01 0.19 1.04 -0.75 4.35 4.82 1nuwA1 LEU 1175 HB2 0.06 -0.06 -0.15 -0.04 1.64 1.46 1nuwA1 LEU 1175 HB3 0.21 0.00 0.11 -0.04 1.64 1.92 1nuwA1 LEU 1175 HG 0.12 0.05 -0.35 -0.04 1.64 1.43 1nuwA1 LEU 1175 HD13 0.15 0.02 -0.06 -0.04 0.93 0.99 1nuwA1 LEU 1175 HD23 0.04 -0.02 -0.11 -0.04 0.89 0.75 1nuwA1 ALA 1176 H 0.02 0.83 0.45 -0.55 8.40 9.15 1nuwA1 ALA 1176 HA 0.04 0.31 1.11 -0.75 4.34 5.05 1nuwA1 ALA 1176 HB3 0.05 -0.00 -0.02 -0.04 1.41 1.40 1nuwA1 MET 1177 H 0.10 0.63 0.31 -0.55 8.47 8.96 1nuwA1 MET 1177 HA 0.24 0.25 0.60 -0.75 4.52 4.85 1nuwA1 MET 1177 HB2 0.14 -0.04 0.06 -0.04 2.15 2.27 1nuwA1 MET 1177 HB3 0.10 -0.04 0.26 -0.04 2.03 2.31 1nuwA1 MET 1177 HG2 0.09 0.13 0.17 -0.04 2.63 2.98 1nuwA1 MET 1177 HG3 0.13 -0.10 -0.46 -0.04 2.56 2.10 1nuwA1 MET 1177 HE3 0.19 -0.01 -0.08 -0.04 2.10 2.16 1nuwA1 VAL 1178 H 0.11 0.19 0.18 -0.55 8.24 8.18 1nuwA1 VAL 1178 HA 0.09 0.12 0.30 -0.75 4.13 3.89 1nuwA1 VAL 1178 HB 0.09 0.05 0.17 -0.04 2.12 2.39 1nuwA1 VAL 1178 HG13 0.05 -0.00 0.04 -0.04 0.97 1.01 1nuwA1 VAL 1178 HG23 0.05 0.01 0.01 -0.04 0.95 0.98 1nuwA1 ASN 1179 H 0.06 -0.02 -0.29 -0.55 8.53 7.74 1nuwA1 ASN 1179 HA 0.02 0.25 0.70 -0.75 4.76 4.97 1nuwA1 ASN 1179 HB2 0.05 -0.05 0.02 -0.04 2.88 2.85 1nuwA1 ASN 1179 HB3 0.03 0.02 0.16 -0.04 2.79 2.96 1nuwA1 ASN 1179 HD21 0.01 0.03 -0.02 -0.04 7.03 7.01 1nuwA1 ASN 1179 HD22 0.01 -0.01 -0.01 -0.04 7.74 7.69 1nuwA1 GLY 1180 H 0.02 0.45 -0.14 -0.55 8.43 8.21 1nuwA1 GLY 1180 HA2 -0.02 0.24 0.27 -0.51 4.01 3.98 1nuwA1 GLY 1180 HA3 0.02 0.16 0.97 -0.51 4.01 4.66 1nuwA1 VAL 1181 H -0.02 0.30 0.20 -0.55 8.24 8.17 1nuwA1 VAL 1181 HA -0.01 0.25 1.01 -0.75 4.13 4.62 1nuwA1 VAL 1181 HB -0.04 0.12 0.08 -0.04 2.12 2.24 1nuwA1 VAL 1181 HG13 -0.05 -0.04 -0.21 -0.04 0.97 0.63 1nuwA1 VAL 1181 HG23 -0.05 0.03 -0.23 -0.04 0.95 0.66 1nuwA1 ASN 1182 H -0.06 0.65 0.40 -0.55 8.53 8.98 1nuwA1 ASN 1182 HA -0.24 0.21 0.98 -0.75 4.76 4.96 1nuwA1 ASN 1182 HB2 -0.36 -0.01 0.07 -0.04 2.88 2.54 1nuwA1 ASN 1182 HB3 -0.86 0.01 0.08 -0.04 2.79 1.98 1nuwA1 ASN 1182 HD21 0.23 0.05 -0.27 -0.04 7.03 7.00 1nuwA1 ASN 1182 HD22 0.06 0.07 -0.23 -0.04 7.74 7.60 1nuwA1 CYS 1183 H -0.37 0.69 0.40 -0.55 8.50 8.67 1nuwA1 CYS 1183 HA -0.13 0.23 1.13 -0.75 4.58 5.05 1nuwA1 CYS 1183 HB2 -0.13 -0.07 0.17 -0.04 2.97 2.90 1nuwA1 CYS 1183 HB3 -0.04 0.01 -0.07 -0.04 2.97 2.82 1nuwA1 PHE 1184 H 0.13 0.76 0.34 -0.55 8.34 9.01 1nuwA1 PHE 1184 HA -0.00 0.28 0.83 -0.75 4.62 4.97 1nuwA1 PHE 1184 HB2 0.02 -0.02 0.07 -0.04 3.15 3.18 1nuwA1 PHE 1184 HB3 0.12 -0.09 -0.39 -0.04 3.06 2.65 1nuwA1 PHE 1184 HD2 -0.08 0.11 -0.24 -0.04 7.28 7.03 1nuwA1 PHE 1184 HE2 -0.24 0.06 -0.16 -0.04 7.38 7.01 1nuwA1 PHE 1184 HZ -1.18 0.03 -0.11 -0.04 7.32 6.02 1nuwA1 MET 1185 H 0.11 0.65 0.31 -0.55 8.47 9.00 1nuwA1 MET 1185 HA 0.12 0.19 1.06 -0.75 4.52 5.13 1nuwA1 MET 1185 HB2 0.03 -0.03 0.02 -0.04 2.15 2.13 1nuwA1 MET 1185 HB3 0.03 0.01 0.11 -0.04 2.03 2.14 1nuwA1 MET 1185 HG2 -0.00 0.10 -0.23 -0.04 2.63 2.46 1nuwA1 MET 1185 HG3 0.02 0.09 0.08 -0.04 2.56 2.71 1nuwA1 MET 1185 HE3 0.02 -0.01 -0.09 -0.04 2.10 1.97 1nuwA1 LEU 1186 H 0.01 0.68 0.34 -0.55 8.37 8.85 1nuwA1 LEU 1186 HA -0.58 0.06 0.53 -0.75 4.35 3.61 1nuwA1 LEU 1186 HB2 -0.64 -0.04 -0.02 -0.04 1.64 0.90 1nuwA1 LEU 1186 HB3 -0.15 -0.01 0.17 -0.04 1.64 1.61 1nuwA1 LEU 1186 HG -0.22 -0.03 -0.55 -0.04 1.64 0.80 1nuwA1 LEU 1186 HD13 -0.70 0.01 -0.25 -0.04 0.93 -0.04 1nuwA1 LEU 1186 HD23 -0.10 0.01 -0.10 -0.04 0.89 0.66 1nuwA1 ASP 1187 H -0.18 0.70 0.37 -0.55 8.40 8.73 1nuwA1 ASP 1187 HA -0.06 0.19 0.74 -0.75 4.63 4.75 1nuwA1 ASP 1187 HB2 -0.04 0.10 0.16 -0.04 2.71 2.88 1nuwA1 ASP 1187 HB3 -0.07 -0.16 0.26 -0.04 2.70 2.69 1nuwA1 PRO 1188 HA -0.07 0.08 0.28 -0.51 4.44 4.21 1nuwA1 PRO 1188 HB2 -0.03 0.05 -0.02 -0.04 2.28 2.24 1nuwA1 PRO 1188 HB3 -0.03 0.06 0.07 -0.04 2.02 2.08 1nuwA1 PRO 1188 HG2 -0.02 0.07 0.11 -0.04 2.03 2.14 1nuwA1 PRO 1188 HG3 -0.04 0.06 0.07 -0.04 2.03 2.08 1nuwA1 PRO 1188 HD2 -0.03 0.06 0.25 -0.04 3.68 3.91 1nuwA1 PRO 1188 HD3 -0.05 0.53 0.46 -0.04 3.65 4.54 1nuwA1 ALA 1189 H -0.03 0.06 -0.27 -0.55 8.40 7.60 1nuwA1 ALA 1189 HA -0.02 0.15 0.43 -0.75 4.34 4.14 1nuwA1 ALA 1189 HB3 -0.02 0.00 0.03 -0.04 1.41 1.38 1nuwA1 ILE 1190 H -0.04 0.04 -0.17 -0.55 8.25 7.53 1nuwA1 ILE 1190 HA -0.02 0.29 0.93 -0.75 4.18 4.63 1nuwA1 ILE 1190 HB -0.02 0.02 0.06 -0.04 1.89 1.91 1nuwA1 ILE 1190 HG12 -0.03 -0.07 -0.01 -0.04 1.49 1.35 1nuwA1 ILE 1190 HG13 -0.04 -0.06 -0.19 -0.04 1.21 0.88 1nuwA1 ILE 1190 HG23 -0.01 -0.00 -0.14 -0.04 0.93 0.73 1nuwA1 ILE 1190 HD13 -0.01 0.00 -0.07 -0.04 0.88 0.76 1nuwA1 GLY 1191 H -0.07 0.36 -0.04 -0.55 8.43 8.13 1nuwA1 GLY 1191 HA2 -0.12 -0.01 0.26 -0.51 4.01 3.63 1nuwA1 GLY 1191 HA3 -0.05 0.08 0.25 -0.51 4.01 3.77 1nuwA1 GLU 1192 H -0.13 0.20 0.03 -0.55 8.60 8.16 1nuwA1 GLU 1192 HA -0.02 0.16 0.79 -0.75 4.29 4.48 1nuwA1 GLU 1192 HB2 -0.02 -0.05 -0.09 -0.04 2.09 1.88 1nuwA1 GLU 1192 HB3 0.02 -0.04 -0.12 -0.04 1.99 1.81 1nuwA1 GLU 1192 HG2 -0.02 0.23 -0.49 -0.04 2.34 2.03 1nuwA1 GLU 1192 HG3 0.00 -0.02 -0.13 -0.04 2.34 2.15 1nuwA1 PHE 1193 H 0.22 0.13 0.10 -0.55 8.34 8.24 1nuwA1 PHE 1193 HA 0.04 0.28 0.60 -0.75 4.62 4.79 1nuwA1 PHE 1193 HB2 -0.09 -0.13 0.14 -0.04 3.15 3.02 1nuwA1 PHE 1193 HB3 0.03 0.03 -0.17 -0.04 3.06 2.92 1nuwA1 PHE 1193 HD2 -0.01 0.03 -0.17 -0.04 7.28 7.09 1nuwA1 PHE 1193 HE2 -0.01 0.08 -0.17 -0.04 7.38 7.25 1nuwA1 PHE 1193 HZ 0.03 0.01 -0.20 -0.04 7.32 7.12 1nuwA1 ILE 1194 H 0.14 0.76 0.24 -0.55 8.25 8.84 1nuwA1 ILE 1194 HA 0.17 0.16 0.66 -0.75 4.18 4.42 1nuwA1 ILE 1194 HB 0.05 0.04 0.13 -0.04 1.89 2.07 1nuwA1 ILE 1194 HG12 0.02 0.08 -0.16 -0.04 1.49 1.39 1nuwA1 ILE 1194 HG13 0.02 0.01 -0.05 -0.04 1.21 1.14 1nuwA1 ILE 1194 HG23 0.04 0.03 -0.12 -0.04 0.93 0.85 1nuwA1 ILE 1194 HD13 0.05 -0.01 -0.32 -0.04 0.88 0.56 1nuwA1 LEU 1195 H 0.20 0.69 0.31 -0.55 8.37 9.02 1nuwA1 LEU 1195 HA -0.44 0.05 0.60 -0.75 4.35 3.81 1nuwA1 LEU 1195 HB2 -0.01 -0.02 0.05 -0.04 1.64 1.62 1nuwA1 LEU 1195 HB3 0.02 -0.00 0.20 -0.04 1.64 1.81 1nuwA1 LEU 1195 HG -0.19 0.01 -0.37 -0.04 1.64 1.05 1nuwA1 LEU 1195 HD13 -0.84 0.03 -0.07 -0.04 0.93 0.01 1nuwA1 LEU 1195 HD23 0.01 -0.00 -0.07 -0.04 0.89 0.78 1nuwA1 VAL 1196 H -0.24 0.54 0.52 -0.55 8.24 8.50 1nuwA1 VAL 1196 HA -0.06 0.21 0.99 -0.75 4.13 4.53 1nuwA1 VAL 1196 HB -0.03 0.00 0.06 -0.04 2.12 2.12 1nuwA1 VAL 1196 HG13 -0.00 0.03 -0.09 -0.04 0.97 0.87 1nuwA1 VAL 1196 HG23 -0.04 -0.01 -0.11 -0.04 0.95 0.75 1nuwA1 ASP 1197 H -0.24 0.34 0.29 -0.55 8.40 8.23 1nuwA1 ASP 1197 HA -0.08 0.22 0.84 -0.75 4.63 4.86 1nuwA1 ASP 1197 HB2 -0.10 -0.14 0.14 -0.04 2.71 2.57 1nuwA1 ASP 1197 HB3 -0.07 0.10 0.02 -0.04 2.70 2.70 1nuwA1 ARG 1198 H -0.08 0.25 0.10 -0.55 8.46 8.17 1nuwA1 ARG 1198 HA -0.16 0.04 0.79 -0.75 4.34 4.26 1nuwA1 ARG 1198 HB2 -0.05 0.00 -0.01 -0.04 1.90 1.80 1nuwA1 ARG 1198 HB3 -0.03 0.06 0.07 -0.04 1.80 1.86 1nuwA1 ARG 1198 HG2 0.03 0.07 -0.14 -0.04 1.67 1.59 1nuwA1 ARG 1198 HG3 0.03 -0.05 -0.01 -0.04 1.67 1.60 1nuwA1 ARG 1198 HD2 0.02 0.01 -0.04 -0.04 3.22 3.17 1nuwA1 ARG 1198 HD3 0.06 0.03 -0.05 -0.04 3.22 3.21 1nuwA1 ASP 1199 H -0.05 0.10 0.22 -0.55 8.40 8.12 1nuwA1 ASP 1199 HA -0.01 0.03 0.45 -0.75 4.63 4.35 1nuwA1 ASP 1199 HB2 0.02 -0.10 -0.08 -0.04 2.71 2.50 1nuwA1 ASP 1199 HB3 -0.00 0.09 0.13 -0.04 2.70 2.88 1nuwA1 VAL 1200 H -0.05 0.39 0.03 -0.55 8.24 8.06 1nuwA1 VAL 1200 HA -0.03 0.04 0.27 -0.75 4.13 3.65 1nuwA1 VAL 1200 HB -0.05 -0.08 -0.08 -0.04 2.12 1.86 1nuwA1 VAL 1200 HG13 -0.04 -0.00 -0.29 -0.04 0.97 0.60 1nuwA1 VAL 1200 HG23 -0.07 -0.01 -0.22 -0.04 0.95 0.60 1nuwA1 LYS 1201 H -0.02 0.17 0.23 -0.55 8.42 8.25 1nuwA1 LYS 1201 HA -0.02 0.25 0.97 -0.75 4.32 4.77 1nuwA1 LYS 1201 HB2 -0.01 -0.10 0.10 -0.04 1.87 1.82 1nuwA1 LYS 1201 HB3 -0.01 0.08 0.06 -0.04 1.79 1.88 1nuwA1 LYS 1201 HG2 -0.01 0.17 -0.24 -0.04 1.46 1.33 1nuwA1 LYS 1201 HG3 -0.01 -0.09 -0.01 -0.04 1.46 1.31 1nuwA1 LYS 1201 HD2 -0.01 -0.01 -0.08 -0.04 1.69 1.54 1nuwA1 LYS 1201 HD3 -0.02 0.18 0.04 -0.04 1.68 1.84 1nuwA1 LYS 1201 HE2 -0.01 -0.02 -0.06 -0.04 2.99 2.86 1nuwA1 LYS 1201 HE3 -0.01 -0.09 -0.02 -0.04 2.99 2.84 1nuwA1 ILE 1202 H -0.01 0.60 0.22 -0.55 8.25 8.51 1nuwA1 ILE 1202 HA -0.00 0.19 0.66 -0.75 4.18 4.27 1nuwA1 ILE 1202 HB -0.00 -0.05 0.02 -0.04 1.89 1.81 1nuwA1 ILE 1202 HG12 0.02 0.03 0.00 -0.04 1.49 1.51 1nuwA1 ILE 1202 HG13 0.01 0.18 0.14 -0.04 1.21 1.50 1nuwA1 ILE 1202 HG23 0.01 0.04 -0.30 -0.04 0.93 0.64 1nuwA1 ILE 1202 HD13 0.02 -0.05 -0.23 -0.04 0.88 0.58 1nuwA1 LYS 1203 H 0.01 0.14 0.09 -0.55 8.42 8.11 1nuwA1 LYS 1203 HA 0.01 0.06 0.46 -0.75 4.32 4.10 1nuwA1 LYS 1203 HB2 0.02 -0.10 -0.00 -0.04 1.87 1.74 1nuwA1 LYS 1203 HB3 0.01 -0.00 0.03 -0.04 1.79 1.78 1nuwA1 LYS 1203 HG2 0.00 -0.02 0.06 -0.04 1.46 1.46 1nuwA1 LYS 1203 HG3 0.01 0.06 0.02 -0.04 1.46 1.51 1nuwA1 LYS 1203 HD2 -0.01 -0.03 0.03 -0.04 1.69 1.64 1nuwA1 LYS 1203 HD3 0.02 0.17 -0.17 -0.04 1.68 1.66 1nuwA1 LYS 1203 HE2 0.00 0.00 0.04 -0.04 2.99 2.99 1nuwA1 LYS 1203 HE3 -0.02 -0.04 0.11 -0.04 2.99 2.99 1nuwA1 LYS 1204 H 0.01 0.15 0.21 -0.55 8.42 8.23 1nuwA1 LYS 1204 HA 0.02 0.14 0.54 -0.75 4.32 4.26 1nuwA1 LYS 1204 HB2 0.02 -0.00 0.15 -0.04 1.87 2.00 1nuwA1 LYS 1204 HB3 0.02 -0.06 0.08 -0.04 1.79 1.79 1nuwA1 LYS 1204 HG2 0.01 0.03 0.14 -0.04 1.46 1.60 1nuwA1 LYS 1204 HG3 0.01 -0.01 0.08 -0.04 1.46 1.50 1nuwA1 LYS 1204 HD2 0.01 -0.07 0.10 -0.04 1.69 1.70 1nuwA1 LYS 1204 HD3 0.01 0.13 0.06 -0.04 1.68 1.84 1nuwA1 LYS 1204 HE2 0.01 -0.03 0.06 -0.04 2.99 2.99 1nuwA1 LYS 1204 HE3 0.01 -0.04 0.05 -0.04 2.99 2.97 1nuwA1 LYS 1205 H 0.02 0.26 -0.11 -0.55 8.42 8.04 1nuwA1 LYS 1205 HA 0.08 -0.04 0.71 -0.75 4.32 4.31 1nuwA1 LYS 1205 HB2 0.06 -0.02 -0.16 -0.04 1.87 1.70 1nuwA1 LYS 1205 HB3 0.04 0.04 0.02 -0.04 1.79 1.85 1nuwA1 LYS 1205 HG2 0.11 0.27 -0.07 -0.04 1.46 1.72 1nuwA1 LYS 1205 HG3 0.15 -0.13 0.02 -0.04 1.46 1.45 1nuwA1 LYS 1205 HD2 0.08 -0.04 -0.06 -0.04 1.69 1.62 1nuwA1 LYS 1205 HD3 0.08 0.03 -0.05 -0.04 1.68 1.70 1nuwA1 LYS 1205 HE2 0.22 -0.04 -0.08 -0.04 2.99 3.04 1nuwA1 LYS 1205 HE3 0.11 -0.01 -0.07 -0.04 2.99 2.97 1nuwA1 GLY 1206 H 0.09 0.03 0.11 -0.55 8.43 8.11 1nuwA1 GLY 1206 HA2 -0.04 0.34 0.89 -0.51 4.01 4.69 1nuwA1 GLY 1206 HA3 0.00 -0.06 0.26 -0.51 4.01 3.69 1nuwA1 SER 1207 H -0.15 0.18 0.08 -0.55 8.46 8.02 1nuwA1 SER 1207 HA -1.50 0.20 0.81 -0.75 4.49 3.25 1nuwA1 SER 1207 HB2 -0.30 0.04 0.19 -0.04 3.95 3.84 1nuwA1 SER 1207 HB3 -0.30 0.07 -0.15 -0.04 3.93 3.51 1nuwA1 ILE 1208 H -0.04 0.06 0.17 -0.55 8.25 7.89 1nuwA1 ILE 1208 HA 0.11 0.43 0.94 -0.75 4.18 4.91 1nuwA1 ILE 1208 HB 0.09 0.04 0.10 -0.04 1.89 2.08 1nuwA1 ILE 1208 HG12 0.03 0.05 -0.11 -0.04 1.49 1.42 1nuwA1 ILE 1208 HG13 -0.01 -0.13 -0.40 -0.04 1.21 0.63 1nuwA1 ILE 1208 HG23 0.07 -0.02 -0.24 -0.04 0.93 0.70 1nuwA1 ILE 1208 HD13 0.14 0.02 -0.10 -0.04 0.88 0.90 1nuwA1 TYR 1209 H 0.17 0.67 0.32 -0.55 8.29 8.90 1nuwA1 TYR 1209 HA 0.20 0.20 0.98 -0.75 4.56 5.19 1nuwA1 TYR 1209 HB2 0.16 -0.06 0.01 -0.04 3.06 3.13 1nuwA1 TYR 1209 HB3 0.18 0.02 -0.06 -0.04 2.98 3.08 1nuwA1 TYR 1209 HD2 0.09 -0.01 -0.22 -0.04 7.15 6.98 1nuwA1 TYR 1209 HE2 0.01 0.07 -0.19 -0.04 6.85 6.70 1nuwA1 SER 1210 H 0.21 0.34 0.21 -0.55 8.46 8.68 1nuwA1 SER 1210 HA 0.07 0.26 1.03 -0.75 4.49 5.09 1nuwA1 SER 1210 HB2 0.21 0.03 -0.04 -0.04 3.95 4.11 1nuwA1 SER 1210 HB3 0.38 -0.10 0.35 -0.04 3.93 4.53 1nuwA1 ILE 1211 H -0.06 0.39 0.20 -0.55 8.25 8.23 1nuwA1 ILE 1211 HA -0.30 0.22 0.68 -0.75 4.18 4.02 1nuwA1 ILE 1211 HB -0.07 0.05 -0.19 -0.04 1.89 1.63 1nuwA1 ILE 1211 HG12 -0.07 -0.00 -0.16 -0.04 1.49 1.22 1nuwA1 ILE 1211 HG13 -0.29 0.23 0.12 -0.04 1.21 1.23 1nuwA1 ILE 1211 HG23 0.10 -0.01 -0.26 -0.04 0.93 0.71 1nuwA1 ILE 1211 HD13 -0.53 -0.01 -0.11 -0.04 0.88 0.18 1nuwA1 ASN 1212 H -0.59 0.22 0.13 -0.55 8.53 7.75 1nuwA1 ASN 1212 HA -0.60 0.14 0.77 -0.75 4.76 4.32 1nuwA1 ASN 1212 HB2 -0.47 0.02 0.12 -0.04 2.88 2.52 1nuwA1 ASN 1212 HB3 0.00 0.02 0.23 -0.04 2.79 3.01 1nuwA1 ASN 1212 HD21 -0.02 0.06 -0.01 -0.04 7.03 7.02 1nuwA1 ASN 1212 HD22 0.28 0.00 0.02 -0.04 7.74 8.00 1nuwA1 GLU 1213 H -0.10 0.31 0.14 -0.55 8.60 8.41 1nuwA1 GLU 1213 HA 0.23 0.11 0.39 -0.75 4.29 4.26 1nuwA1 GLU 1213 HB2 0.03 0.04 0.07 -0.04 2.09 2.19 1nuwA1 GLU 1213 HB3 0.08 0.03 0.10 -0.04 1.99 2.16 1nuwA1 GLU 1213 HG2 0.22 -0.02 -0.11 -0.04 2.34 2.38 1nuwA1 GLU 1213 HG3 0.11 0.07 -0.06 -0.04 2.34 2.43 1nuwA1 GLY 1214 H -0.16 0.05 -0.36 -0.55 8.43 7.42 1nuwA1 GLY 1214 HA2 -0.16 0.13 0.51 -0.51 4.01 3.98 1nuwA1 GLY 1214 HA3 -0.27 0.05 0.27 -0.51 4.01 3.54 1nuwA1 TYR 1215 H -0.23 0.35 -0.40 -0.55 8.29 7.46 1nuwA1 TYR 1215 HA -0.29 0.18 0.71 -0.75 4.56 4.41 1nuwA1 TYR 1215 HB2 -0.46 0.14 0.05 -0.04 3.06 2.75 1nuwA1 TYR 1215 HB3 -0.45 -0.07 0.10 -0.04 2.98 2.53 1nuwA1 TYR 1215 HD2 -0.12 0.07 0.02 -0.04 7.15 7.08 1nuwA1 TYR 1215 HE2 0.02 -0.01 -0.03 -0.04 6.85 6.80 1nuwA1 ALA 1216 H -0.31 0.50 -0.43 -0.55 8.40 7.61 1nuwA1 ALA 1216 HA -0.57 -0.01 0.21 -0.75 4.34 3.22 1nuwA1 ALA 1216 HB3 -0.05 0.04 0.06 -0.04 1.41 1.41 1nuwA1 LYS 1217 H -0.17 0.14 -0.28 -0.55 8.42 7.55 1nuwA1 LYS 1217 HA -0.07 0.11 0.40 -0.75 4.32 4.01 1nuwA1 LYS 1217 HB2 -0.07 -0.00 0.06 -0.04 1.87 1.82 1nuwA1 LYS 1217 HB3 -0.07 -0.01 -0.02 -0.04 1.79 1.65 1nuwA1 LYS 1217 HG2 -0.03 0.01 -0.01 -0.04 1.46 1.38 1nuwA1 LYS 1217 HG3 -0.03 0.01 0.07 -0.04 1.46 1.47 1nuwA1 LYS 1217 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.57 1nuwA1 LYS 1217 HD3 -0.02 0.00 -0.01 -0.04 1.68 1.61 1nuwA1 LYS 1217 HE2 -0.03 0.01 -0.00 -0.04 2.99 2.93 1nuwA1 LYS 1217 HE3 -0.04 -0.00 0.01 -0.04 2.99 2.92 1nuwA1 GLU 1218 H -0.25 0.52 -0.36 -0.55 8.60 7.97 1nuwA1 GLU 1218 HA -0.03 0.23 0.89 -0.75 4.29 4.64 1nuwA1 GLU 1218 HB2 -0.07 0.09 0.02 -0.04 2.09 2.09 1nuwA1 GLU 1218 HB3 -0.01 -0.28 0.14 -0.04 1.99 1.81 1nuwA1 GLU 1218 HG2 -0.03 -0.03 -0.12 -0.04 2.34 2.12 1nuwA1 GLU 1218 HG3 0.06 -0.02 -0.04 -0.04 2.34 2.30 1nuwA1 PHE 1219 H -0.20 0.32 -0.10 -0.55 8.34 7.80 1nuwA1 PHE 1219 HA -0.02 0.01 0.47 -0.75 4.62 4.32 1nuwA1 PHE 1219 HB2 -0.03 0.12 0.02 -0.04 3.15 3.22 1nuwA1 PHE 1219 HB3 -0.04 -0.07 -0.02 -0.04 3.06 2.89 1nuwA1 PHE 1219 HD2 -0.03 0.04 -0.08 -0.04 7.28 7.18 1nuwA1 PHE 1219 HE2 -0.06 -0.01 -0.11 -0.04 7.38 7.15 1nuwA1 PHE 1219 HZ -0.05 0.12 -0.15 -0.04 7.32 7.20 1nuwA1 ASP 1220 H 0.12 0.08 0.17 -0.55 8.40 8.22 1nuwA1 ASP 1220 HA 0.01 0.24 0.53 -0.75 4.63 4.65 1nuwA1 ASP 1220 HB2 -0.02 0.07 0.13 -0.04 2.71 2.86 1nuwA1 ASP 1220 HB3 0.05 0.09 0.06 -0.04 2.70 2.86 1nuwA1 PRO 1221 HA -0.12 0.13 0.40 -0.51 4.44 4.34 1nuwA1 PRO 1221 HB2 -0.52 0.04 -0.00 -0.04 2.28 1.75 1nuwA1 PRO 1221 HB3 -0.11 0.08 0.08 -0.04 2.02 2.04 1nuwA1 PRO 1221 HG2 -0.03 0.08 0.08 -0.04 2.03 2.11 1nuwA1 PRO 1221 HG3 -0.04 0.11 0.07 -0.04 2.03 2.13 1nuwA1 PRO 1221 HD2 -0.11 0.08 0.18 -0.04 3.68 3.80 1nuwA1 PRO 1221 HD3 -0.03 0.19 0.21 -0.04 3.65 3.97 1nuwA1 ALA 1222 H -0.46 0.10 -0.29 -0.55 8.40 7.20 1nuwA1 ALA 1222 HA -0.51 0.16 0.37 -0.75 4.34 3.60 1nuwA1 ALA 1222 HB3 -0.99 0.02 -0.07 -0.04 1.41 0.34 1nuwA1 ILE 1223 H -0.34 0.09 -0.15 -0.55 8.25 7.30 1nuwA1 ILE 1223 HA -0.21 0.04 0.37 -0.75 4.18 3.63 1nuwA1 ILE 1223 HB -0.24 0.07 0.07 -0.04 1.89 1.74 1nuwA1 ILE 1223 HG12 -0.13 -0.06 0.03 -0.04 1.49 1.28 1nuwA1 ILE 1223 HG13 -0.20 0.06 0.03 -0.04 1.21 1.06 1nuwA1 ILE 1223 HG23 -0.90 0.01 -0.16 -0.04 0.93 -0.16 1nuwA1 ILE 1223 HD13 -0.17 0.00 -0.05 -0.04 0.88 0.62 1nuwA1 THR 1224 H -0.11 0.46 -0.35 -0.55 8.28 7.74 1nuwA1 THR 1224 HA 0.02 0.00 0.30 -0.75 4.39 3.96 1nuwA1 THR 1224 HB -0.05 0.07 0.06 -0.04 4.32 4.36 1nuwA1 THR 1224 HG23 0.01 -0.00 -0.12 -0.04 1.22 1.07 1nuwA1 GLU 1225 H -0.11 0.52 -0.23 -0.55 8.60 8.23 1nuwA1 GLU 1225 HA -0.04 0.03 0.39 -0.75 4.29 3.92 1nuwA1 GLU 1225 HB2 0.01 0.02 0.11 -0.04 2.09 2.18 1nuwA1 GLU 1225 HB3 -0.04 0.05 0.17 -0.04 1.99 2.13 1nuwA1 GLU 1225 HG2 0.01 -0.01 -0.21 -0.04 2.34 2.09 1nuwA1 GLU 1225 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 1nuwA1 TYR 1226 H -0.00 0.53 -0.20 -0.55 8.29 8.07 1nuwA1 TYR 1226 HA -0.13 0.04 0.38 -0.75 4.56 4.09 1nuwA1 TYR 1226 HB2 -0.14 0.02 0.05 -0.04 3.06 2.95 1nuwA1 TYR 1226 HB3 -0.18 0.04 0.11 -0.04 2.98 2.90 1nuwA1 TYR 1226 HD2 -0.14 0.02 -0.17 -0.04 7.15 6.82 1nuwA1 TYR 1226 HE2 -0.08 -0.01 -0.12 -0.04 6.85 6.60 1nuwA1 ILE 1227 H -0.08 0.61 -0.10 -0.55 8.25 8.14 1nuwA1 ILE 1227 HA -0.51 -0.01 0.40 -0.75 4.18 3.30 1nuwA1 ILE 1227 HB -0.07 0.13 0.09 -0.04 1.89 2.00 1nuwA1 ILE 1227 HG12 -0.11 -0.06 -0.07 -0.04 1.49 1.21 1nuwA1 ILE 1227 HG13 -0.10 0.10 0.02 -0.04 1.21 1.18 1nuwA1 ILE 1227 HG23 -0.08 -0.01 -0.13 -0.04 0.93 0.66 1nuwA1 ILE 1227 HD13 -0.08 -0.03 -0.13 -0.04 0.88 0.59 1nuwA1 GLN 1228 H -0.09 0.54 -0.22 -0.55 8.47 8.16 1nuwA1 GLN 1228 HA 0.06 -0.02 0.41 -0.75 4.36 4.06 1nuwA1 GLN 1228 HB2 -0.03 0.00 0.09 -0.04 2.15 2.17 1nuwA1 GLN 1228 HB3 -0.05 0.00 0.12 -0.04 2.02 2.05 1nuwA1 GLN 1228 HG2 -0.09 -0.02 -0.03 -0.04 2.40 2.22 1nuwA1 GLN 1228 HG3 -0.00 0.00 -0.12 -0.04 2.39 2.23 1nuwA1 GLN 1228 HE21 -0.54 -0.02 -0.02 -0.04 6.97 6.34 1nuwA1 GLN 1228 HE22 -0.45 0.02 -0.02 -0.04 7.69 7.20 1nuwA1 ARG 1229 H -0.18 0.47 -0.28 -0.55 8.46 7.92 1nuwA1 ARG 1229 HA -0.08 0.14 0.33 -0.75 4.34 3.98 1nuwA1 ARG 1229 HB2 -0.13 0.08 0.09 -0.04 1.90 1.90 1nuwA1 ARG 1229 HB3 -0.35 0.08 0.05 -0.04 1.80 1.54 1nuwA1 ARG 1229 HG2 -0.16 -0.04 -0.05 -0.04 1.67 1.38 1nuwA1 ARG 1229 HG3 -0.08 0.01 0.05 -0.04 1.67 1.61 1nuwA1 ARG 1229 HD2 -0.10 -0.02 -0.06 -0.04 3.22 2.99 1nuwA1 ARG 1229 HD3 -0.05 -0.04 -0.03 -0.04 3.22 3.05 1nuwA1 LYS 1230 H -0.50 0.41 -0.20 -0.55 8.42 7.58 1nuwA1 LYS 1230 HA -0.52 0.02 0.50 -0.75 4.32 3.56 1nuwA1 LYS 1230 HB2 -0.85 0.11 0.08 -0.04 1.87 1.18 1nuwA1 LYS 1230 HB3 -0.54 -0.07 -0.01 -0.04 1.79 1.13 1nuwA1 LYS 1230 HG2 -1.19 0.25 -0.04 -0.04 1.46 0.44 1nuwA1 LYS 1230 HG3 -0.87 -0.13 -0.09 -0.04 1.46 0.34 1nuwA1 LYS 1230 HD2 -0.88 -0.09 -0.11 -0.04 1.69 0.57 1nuwA1 LYS 1230 HD3 -1.52 0.00 -0.04 -0.04 1.68 0.09 1nuwA1 LYS 1230 HE2 -0.72 0.00 -0.46 -0.04 2.99 1.77 1nuwA1 LYS 1230 HE3 -1.28 -0.02 -0.12 -0.04 2.99 1.52 1nuwA1 LYS 1231 H -0.17 0.32 -0.30 -0.55 8.42 7.71 1nuwA1 LYS 1231 HA -0.17 0.09 0.64 -0.75 4.32 4.12 1nuwA1 LYS 1231 HB2 0.11 0.08 0.10 -0.04 1.87 2.11 1nuwA1 LYS 1231 HB3 -0.39 -0.06 0.02 -0.04 1.79 1.33 1nuwA1 LYS 1231 HG2 -0.01 -0.02 -0.02 -0.04 1.46 1.37 1nuwA1 LYS 1231 HG3 -0.13 0.03 -0.04 -0.04 1.46 1.28 1nuwA1 LYS 1231 HD2 0.07 0.01 -0.12 -0.04 1.69 1.62 1nuwA1 LYS 1231 HD3 0.12 -0.02 -0.04 -0.04 1.68 1.70 1nuwA1 LYS 1231 HE2 0.12 -0.01 -0.04 -0.04 2.99 3.01 1nuwA1 LYS 1231 HE3 0.09 -0.03 -0.08 -0.04 2.99 2.94 1nuwA1 PHE 1232 H 0.05 0.45 -0.18 -0.55 8.34 8.11 1nuwA1 PHE 1232 HA -0.04 0.17 0.81 -0.75 4.62 4.81 1nuwA1 PHE 1232 HB2 -0.06 0.07 0.14 -0.04 3.15 3.26 1nuwA1 PHE 1232 HB3 -0.04 -0.05 0.07 -0.04 3.06 3.00 1nuwA1 PHE 1232 HD2 -0.04 0.05 -0.01 -0.04 7.28 7.24 1nuwA1 PHE 1232 HE2 -0.02 -0.05 -0.03 -0.04 7.38 7.24 1nuwA1 PHE 1232 HZ -0.01 -0.05 -0.03 -0.04 7.32 7.19 1nuwA1 PRO 1233 HA -0.04 0.17 0.42 -0.51 4.44 4.48 1nuwA1 PRO 1233 HB2 -0.00 -0.29 -0.01 -0.04 2.28 1.94 1nuwA1 PRO 1233 HB3 -0.03 0.01 0.02 -0.04 2.02 1.97 1nuwA1 PRO 1233 HG2 -0.01 0.37 -0.31 -0.04 2.03 2.05 1nuwA1 PRO 1233 HG3 -0.04 0.08 -0.18 -0.04 2.03 1.85 1nuwA1 PRO 1233 HD2 -0.04 0.07 0.04 -0.04 3.68 3.71 1nuwA1 PRO 1233 HD3 -0.10 0.17 -0.68 -0.04 3.65 3.00 1nuwA1 PRO 1234 HA 0.01 0.13 0.40 -0.51 4.44 4.47 1nuwA1 PRO 1234 HB2 -0.00 -0.00 0.06 -0.04 2.28 2.30 1nuwA1 PRO 1234 HB3 -0.01 0.04 0.13 -0.04 2.02 2.14 1nuwA1 PRO 1234 HG2 -0.01 -0.00 0.04 -0.04 2.03 2.02 1nuwA1 PRO 1234 HG3 -0.02 0.02 0.08 -0.04 2.03 2.07 1nuwA1 PRO 1234 HD2 -0.03 0.05 0.21 -0.04 3.68 3.87 1nuwA1 PRO 1234 HD3 -0.04 0.23 0.26 -0.04 3.65 4.06 1nuwA1 ASP 1235 H 0.00 0.05 -0.42 -0.55 8.40 7.49 1nuwA1 ASP 1235 HA 0.01 0.27 0.92 -0.75 4.63 5.07 1nuwA1 ASP 1235 HB2 0.01 0.02 0.12 -0.04 2.71 2.82 1nuwA1 ASP 1235 HB3 0.01 -0.01 -0.03 -0.04 2.70 2.63 1nuwA1 ASN 1236 H 0.01 0.43 -0.30 -0.55 8.53 8.13 1nuwA1 ASN 1236 HA 0.01 0.12 0.27 -0.75 4.76 4.41 1nuwA1 ASN 1236 HB2 0.01 0.18 0.02 -0.04 2.88 3.04 1nuwA1 ASN 1236 HB3 0.01 -0.06 0.15 -0.04 2.79 2.85 1nuwA1 ASN 1236 HD21 0.01 -0.01 -0.10 -0.04 7.03 6.89 1nuwA1 ASN 1236 HD22 0.01 -0.01 -0.12 -0.04 7.74 7.57 1nuwA1 SER 1237 H 0.01 -0.09 -0.38 -0.55 8.46 7.46 1nuwA1 SER 1237 HA 0.02 0.08 0.55 -0.75 4.49 4.39 1nuwA1 SER 1237 HB2 0.05 0.02 0.04 -0.04 3.95 4.02 1nuwA1 SER 1237 HB3 0.03 -0.02 0.00 -0.04 3.93 3.89 1nuwA1 ALA 1238 H 0.02 0.03 0.10 -0.55 8.40 8.00 1nuwA1 ALA 1238 HA 0.00 0.10 0.39 -0.75 4.34 4.08 1nuwA1 ALA 1238 HB3 0.01 -0.01 0.08 -0.04 1.41 1.45 1nuwA1 PRO 1239 HA 0.03 0.13 0.54 -0.51 4.44 4.62 1nuwA1 PRO 1239 HB2 -0.01 -0.08 0.05 -0.04 2.28 2.19 1nuwA1 PRO 1239 HB3 -0.09 0.11 0.30 -0.04 2.02 2.30 1nuwA1 PRO 1239 HG2 -0.12 -0.07 0.15 -0.04 2.03 1.95 1nuwA1 PRO 1239 HG3 -0.12 0.15 0.11 -0.04 2.03 2.12 1nuwA1 PRO 1239 HD2 -0.02 -0.01 0.21 -0.04 3.68 3.81 1nuwA1 PRO 1239 HD3 -0.03 0.13 0.23 -0.04 3.65 3.95 1nuwA1 TYR 1240 H 0.21 0.30 0.26 -0.55 8.29 8.51 1nuwA1 TYR 1240 HA 0.04 0.11 0.66 -0.75 4.56 4.62 1nuwA1 TYR 1240 HB2 0.12 -0.06 0.01 -0.04 3.06 3.09 1nuwA1 TYR 1240 HB3 0.24 0.01 -0.19 -0.04 2.98 2.99 1nuwA1 TYR 1240 HD2 0.09 0.02 -0.28 -0.04 7.15 6.94 1nuwA1 TYR 1240 HE2 0.06 -0.07 -0.11 -0.04 6.85 6.69 1nuwA1 GLY 1241 H 0.07 0.55 0.40 -0.55 8.43 8.90 1nuwA1 GLY 1241 HA2 0.07 0.16 0.80 -0.51 4.01 4.53 1nuwA1 GLY 1241 HA3 0.03 -0.00 0.39 -0.51 4.01 3.92 1nuwA1 ALA 1242 H -0.03 0.18 0.21 -0.55 8.40 8.21 1nuwA1 ALA 1242 HA -0.55 0.31 0.98 -0.75 4.34 4.33 1nuwA1 ALA 1242 HB3 -0.27 -0.01 0.05 -0.04 1.41 1.14 1nuwA1 ARG 1243 H -0.13 0.58 0.30 -0.55 8.46 8.66 1nuwA1 ARG 1243 HA 0.02 0.15 0.63 -0.75 4.34 4.38 1nuwA1 ARG 1243 HB2 0.05 0.00 -0.03 -0.04 1.90 1.88 1nuwA1 ARG 1243 HB3 0.05 0.00 -0.07 -0.04 1.80 1.73 1nuwA1 ARG 1243 HG2 0.03 0.00 -0.43 -0.04 1.67 1.23 1nuwA1 ARG 1243 HG3 0.07 0.00 -0.11 -0.04 1.67 1.59 1nuwA1 ARG 1243 HD2 0.04 -0.09 0.01 -0.04 3.22 3.14 1nuwA1 ARG 1243 HD3 0.02 0.16 0.18 -0.04 3.22 3.54 1nuwA1 TYR 1244 H 0.11 0.29 -0.07 -0.55 8.29 8.07 1nuwA1 TYR 1244 HA 0.09 0.06 0.60 -0.75 4.56 4.55 1nuwA1 TYR 1244 HB2 0.01 0.10 -0.14 -0.04 3.06 2.99 1nuwA1 TYR 1244 HB3 0.03 0.05 0.10 -0.04 2.98 3.12 1nuwA1 TYR 1244 HD2 0.09 0.08 -0.15 -0.04 7.15 7.14 1nuwA1 TYR 1244 HE2 0.11 0.09 -0.07 -0.04 6.85 6.93 1nuwA1 VAL 1245 H -0.07 0.15 0.00 -0.55 8.24 7.78 1nuwA1 VAL 1245 HA -0.03 0.20 0.51 -0.75 4.13 4.06 1nuwA1 VAL 1245 HB -0.11 -0.14 0.06 -0.04 2.12 1.89 1nuwA1 VAL 1245 HG13 -0.04 0.02 -0.05 -0.04 0.97 0.85 1nuwA1 VAL 1245 HG23 -0.02 0.03 -0.04 -0.04 0.95 0.88 1nuwA1 GLY 1246 H -0.54 0.01 -0.19 -0.55 8.43 7.17 1nuwA1 GLY 1246 HA2 -0.51 -0.00 0.17 -0.51 4.01 3.16 1nuwA1 GLY 1246 HA3 -0.10 0.28 0.56 -0.51 4.01 4.23 1nuwA1 SER 1247 H -0.14 0.12 -0.25 -0.55 8.46 7.64 1nuwA1 SER 1247 HA -0.03 0.14 0.85 -0.75 4.49 4.69 1nuwA1 SER 1247 HB2 -0.07 -0.06 0.04 -0.04 3.95 3.83 1nuwA1 SER 1247 HB3 -0.04 -0.09 -0.02 -0.04 3.93 3.73 1nuwA1 MET 1248 H -0.03 0.19 -0.02 -0.55 8.47 8.07 1nuwA1 MET 1248 HA -0.30 0.08 0.21 -0.75 4.52 3.76 1nuwA1 MET 1248 HB2 0.02 0.02 0.04 -0.04 2.15 2.19 1nuwA1 MET 1248 HB3 -0.08 -0.00 -0.01 -0.04 2.03 1.90 1nuwA1 MET 1248 HG2 -0.33 -0.00 -0.20 -0.04 2.63 2.07 1nuwA1 MET 1248 HG3 -0.17 0.03 -0.07 -0.04 2.56 2.30 1nuwA1 MET 1248 HE3 0.04 0.05 -0.20 -0.04 2.10 1.94 1nuwA1 VAL 1249 H -0.14 0.09 -0.32 -0.55 8.24 7.32 1nuwA1 VAL 1249 HA -0.46 0.12 0.30 -0.75 4.13 3.33 1nuwA1 VAL 1249 HB -0.13 0.00 -0.18 -0.04 2.12 1.77 1nuwA1 VAL 1249 HG13 -0.35 0.06 -0.20 -0.04 0.97 0.44 1nuwA1 VAL 1249 HG23 -0.11 -0.05 -0.13 -0.04 0.95 0.62 1nuwA1 ALA 1250 H -0.15 0.13 -0.40 -0.55 8.40 7.43 1nuwA1 ALA 1250 HA -0.09 0.11 0.37 -0.75 4.34 3.97 1nuwA1 ALA 1250 HB3 -0.07 0.02 -0.01 -0.04 1.41 1.31 1nuwA1 ASP 1251 H -0.22 0.47 -0.08 -0.55 8.40 8.02 1nuwA1 ASP 1251 HA -0.09 0.08 0.42 -0.75 4.63 4.28 1nuwA1 ASP 1251 HB2 -0.41 0.02 0.02 -0.04 2.71 2.30 1nuwA1 ASP 1251 HB3 -0.01 0.08 -0.06 -0.04 2.70 2.67 1nuwA1 VAL 1252 H -0.43 0.65 -0.19 -0.55 8.24 7.72 1nuwA1 VAL 1252 HA -0.24 0.05 0.38 -0.75 4.13 3.56 1nuwA1 VAL 1252 HB -0.42 0.07 0.02 -0.04 2.12 1.75 1nuwA1 VAL 1252 HG13 -0.13 -0.00 -0.23 -0.04 0.97 0.56 1nuwA1 VAL 1252 HG23 -0.49 -0.02 -0.08 -0.04 0.95 0.31 1nuwA1 HIS 1253 H -0.18 0.52 -0.25 -0.55 8.41 7.95 1nuwA1 HIS 1253 HA -0.00 0.03 0.31 -0.75 4.63 4.21 1nuwA1 HIS 1253 HB2 -0.13 0.05 0.07 -0.04 3.26 3.21 1nuwA1 HIS 1253 HB3 -0.12 0.03 0.09 -0.04 3.20 3.16 1nuwA1 HIS 1253 HD2 -0.07 0.00 -0.16 -0.04 6.97 6.71 1nuwA1 HIS 1253 HE1 0.01 -0.00 -0.10 -0.04 7.75 7.61 1nuwA1 ARG 1254 H -0.11 0.51 -0.23 -0.55 8.46 8.08 1nuwA1 ARG 1254 HA -0.45 0.02 0.39 -0.75 4.34 3.55 1nuwA1 ARG 1254 HB2 -0.17 -0.01 0.06 -0.04 1.90 1.74 1nuwA1 ARG 1254 HB3 -0.10 0.06 0.05 -0.04 1.80 1.77 1nuwA1 ARG 1254 HG2 -0.14 0.04 -0.23 -0.04 1.67 1.30 1nuwA1 ARG 1254 HG3 -0.54 -0.01 -0.02 -0.04 1.67 1.06 1nuwA1 ARG 1254 HD2 0.12 0.03 -0.09 -0.04 3.22 3.24 1nuwA1 ARG 1254 HD3 -0.01 -0.06 -0.07 -0.04 3.22 3.05 1nuwA1 THR 1255 H -0.10 0.42 -0.35 -0.55 8.28 7.71 1nuwA1 THR 1255 HA 0.02 0.13 0.19 -0.75 4.39 3.99 1nuwA1 THR 1255 HB -0.02 0.10 0.01 -0.04 4.32 4.38 1nuwA1 THR 1255 HG23 0.08 -0.03 -0.34 -0.04 1.22 0.89 1nuwA1 LEU 1256 H -0.11 0.52 -0.28 -0.55 8.37 7.95 1nuwA1 LEU 1256 HA -0.03 -0.01 0.33 -0.75 4.35 3.89 1nuwA1 LEU 1256 HB2 -0.02 -0.06 -0.04 -0.04 1.64 1.49 1nuwA1 LEU 1256 HB3 -0.17 0.12 0.09 -0.04 1.64 1.63 1nuwA1 LEU 1256 HG -0.09 0.03 -0.40 -0.04 1.64 1.15 1nuwA1 LEU 1256 HD13 -0.02 0.00 -0.17 -0.04 0.93 0.70 1nuwA1 LEU 1256 HD23 0.04 -0.03 -0.16 -0.04 0.89 0.70 1nuwA1 VAL 1257 H -0.27 0.44 -0.14 -0.55 8.24 7.72 1nuwA1 VAL 1257 HA -0.06 0.16 0.52 -0.75 4.13 4.00 1nuwA1 VAL 1257 HB -0.06 -0.01 0.07 -0.04 2.12 2.08 1nuwA1 VAL 1257 HG13 -0.34 -0.00 -0.09 -0.04 0.97 0.50 1nuwA1 VAL 1257 HG23 -0.44 0.04 -0.03 -0.04 0.95 0.47 1nuwA1 TYR 1258 H -0.00 0.59 -0.04 -0.55 8.29 8.29 1nuwA1 TYR 1258 HA -0.04 0.16 0.91 -0.75 4.56 4.85 1nuwA1 TYR 1258 HB2 -0.03 0.15 0.04 -0.04 3.06 3.19 1nuwA1 TYR 1258 HB3 -0.03 -0.08 0.07 -0.04 2.98 2.90 1nuwA1 TYR 1258 HD2 -0.03 0.08 -0.28 -0.04 7.15 6.88 1nuwA1 TYR 1258 HE2 -0.01 -0.02 -0.05 -0.04 6.85 6.73 1nuwA1 GLY 1259 H 0.05 0.34 -0.11 -0.55 8.43 8.16 1nuwA1 GLY 1259 HA2 0.05 0.09 0.42 -0.51 4.01 4.06 1nuwA1 GLY 1259 HA3 0.05 0.05 0.66 -0.51 4.01 4.25 1nuwA1 GLY 1260 H 0.08 0.09 0.21 -0.55 8.43 8.27 1nuwA1 GLY 1260 HA2 0.15 -0.09 0.38 -0.51 4.01 3.95 1nuwA1 GLY 1260 HA3 0.13 0.29 1.01 -0.51 4.01 4.93 1nuwA1 ILE 1261 H 0.23 0.59 0.35 -0.55 8.25 8.88 1nuwA1 ILE 1261 HA 0.16 0.30 1.08 -0.75 4.18 4.97 1nuwA1 ILE 1261 HB 0.19 -0.07 -0.31 -0.04 1.89 1.66 1nuwA1 ILE 1261 HG12 0.06 -0.03 -0.23 -0.04 1.49 1.25 1nuwA1 ILE 1261 HG13 0.07 0.11 -0.10 -0.04 1.21 1.25 1nuwA1 ILE 1261 HG23 0.35 0.00 -0.02 -0.04 0.93 1.22 1nuwA1 ILE 1261 HD13 -0.12 -0.03 -0.31 -0.04 0.88 0.38 1nuwA1 PHE 1262 H 0.22 0.71 0.38 -0.55 8.34 9.10 1nuwA1 PHE 1262 HA 0.12 0.23 0.97 -0.75 4.62 5.18 1nuwA1 PHE 1262 HB2 0.06 0.06 -0.13 -0.04 3.15 3.09 1nuwA1 PHE 1262 HB3 0.05 -0.01 0.04 -0.04 3.06 3.10 1nuwA1 PHE 1262 HD2 0.10 0.01 -0.16 -0.04 7.28 7.19 1nuwA1 PHE 1262 HE2 0.13 -0.07 -0.16 -0.04 7.38 7.24 1nuwA1 PHE 1262 HZ 0.20 -0.09 -0.14 -0.04 7.32 7.25 1nuwA1 MET 1263 H -0.55 0.73 0.40 -0.55 8.47 8.50 1nuwA1 MET 1263 HA -0.21 0.24 1.22 -0.75 4.52 5.02 1nuwA1 MET 1263 HB2 -0.20 -0.01 0.09 -0.04 2.15 1.98 1nuwA1 MET 1263 HB3 -0.20 -0.01 -0.02 -0.04 2.03 1.76 1nuwA1 MET 1263 HG2 -0.11 0.01 -0.14 -0.04 2.63 2.35 1nuwA1 MET 1263 HG3 -0.04 -0.09 -0.51 -0.04 2.56 1.88 1nuwA1 MET 1263 HE3 0.21 0.02 -0.19 -0.04 2.10 2.10 1nuwA1 TYR 1264 H -0.07 0.81 0.24 -0.55 8.29 8.72 1nuwA1 TYR 1264 HA -0.09 0.11 0.75 -0.75 4.56 4.57 1nuwA1 TYR 1264 HB2 -0.02 -0.03 0.01 -0.04 3.06 2.98 1nuwA1 TYR 1264 HB3 0.03 -0.06 0.29 -0.04 2.98 3.20 1nuwA1 TYR 1264 HD2 0.10 0.07 -0.08 -0.04 7.15 7.20 1nuwA1 TYR 1264 HE2 0.03 0.03 -0.02 -0.04 6.85 6.85 1nuwA1 PRO 1265 HA 0.03 0.03 0.47 -0.51 4.44 4.46 1nuwA1 PRO 1265 HB2 0.02 0.15 0.10 -0.04 2.28 2.52 1nuwA1 PRO 1265 HB3 -0.05 -0.03 0.04 -0.04 2.02 1.93 1nuwA1 PRO 1265 HG2 0.01 0.14 -0.09 -0.04 2.03 2.05 1nuwA1 PRO 1265 HG3 -0.35 -0.02 -0.01 -0.04 2.03 1.61 1nuwA1 PRO 1265 HD2 -0.23 0.08 0.05 -0.04 3.68 3.54 1nuwA1 PRO 1265 HD3 -0.22 0.07 -0.18 -0.04 3.65 3.29 1nuwA1 ALA 1266 H 0.03 0.10 0.18 -0.55 8.40 8.17 1nuwA1 ALA 1266 HA 0.05 0.03 0.49 -0.75 4.34 4.15 1nuwA1 ALA 1266 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 1nuwA1 ASN 1267 H 0.04 0.53 0.22 -0.55 8.53 8.77 1nuwA1 ASN 1267 HA 0.10 0.13 0.44 -0.75 4.76 4.67 1nuwA1 ASN 1267 HB2 0.07 0.14 -0.04 -0.04 2.88 3.01 1nuwA1 ASN 1267 HB3 0.12 0.12 -0.21 -0.04 2.79 2.78 1nuwA1 ASN 1267 HD21 -0.25 -0.01 -0.09 -0.04 7.03 6.64 1nuwA1 ASN 1267 HD22 -0.17 0.07 -0.13 -0.04 7.74 7.47 1nuwA1 LYS 1268 H 0.04 0.69 0.24 -0.55 8.42 8.83 1nuwA1 LYS 1268 HA 0.02 0.07 0.34 -0.75 4.32 4.00 1nuwA1 LYS 1268 HB2 0.01 -0.05 0.14 -0.04 1.87 1.93 1nuwA1 LYS 1268 HB3 0.01 0.01 0.06 -0.04 1.79 1.83 1nuwA1 LYS 1268 HG2 0.02 -0.05 0.03 -0.04 1.46 1.42 1nuwA1 LYS 1268 HG3 0.03 0.19 0.06 -0.04 1.46 1.70 1nuwA1 LYS 1268 HD2 0.00 0.07 0.11 -0.04 1.69 1.83 1nuwA1 LYS 1268 HD3 0.01 -0.05 0.03 -0.04 1.68 1.62 1nuwA1 LYS 1268 HE2 0.01 -0.10 -0.05 -0.04 2.99 2.81 1nuwA1 LYS 1268 HE3 0.02 0.18 -0.21 -0.04 2.99 2.93 1nuwA1 LYS 1269 H 0.01 -0.01 -0.33 -0.55 8.42 7.54 1nuwA1 LYS 1269 HA 0.01 0.23 0.82 -0.75 4.32 4.63 1nuwA1 LYS 1269 HB2 0.02 -0.02 -0.16 -0.04 1.87 1.67 1nuwA1 LYS 1269 HB3 0.02 0.03 0.06 -0.04 1.79 1.86 1nuwA1 LYS 1269 HG2 0.02 -0.04 -0.14 -0.04 1.46 1.26 1nuwA1 LYS 1269 HG3 0.03 -0.03 -0.04 -0.04 1.46 1.38 1nuwA1 LYS 1269 HD2 0.04 -0.01 -0.04 -0.04 1.69 1.64 1nuwA1 LYS 1269 HD3 0.03 0.03 -0.01 -0.04 1.68 1.68 1nuwA1 LYS 1269 HE2 0.01 0.04 -0.05 -0.04 2.99 2.95 1nuwA1 LYS 1269 HE3 0.01 -0.01 -0.08 -0.04 2.99 2.87 1nuwA1 SER 1270 H 0.01 0.20 -0.30 -0.55 8.46 7.83 1nuwA1 SER 1270 HA 0.01 0.27 0.86 -0.75 4.49 4.87 1nuwA1 SER 1270 HB2 0.01 -0.10 0.12 -0.04 3.95 3.94 1nuwA1 SER 1270 HB3 0.00 0.17 0.01 -0.04 3.93 4.07 1nuwA1 PRO 1271 HA 0.02 0.09 0.38 -0.51 4.44 4.42 1nuwA1 PRO 1271 HB2 0.00 0.03 -0.04 -0.04 2.28 2.23 1nuwA1 PRO 1271 HB3 0.01 0.03 0.09 -0.04 2.02 2.11 1nuwA1 PRO 1271 HG2 0.01 0.05 0.03 -0.04 2.03 2.07 1nuwA1 PRO 1271 HG3 0.01 0.09 -0.01 -0.04 2.03 2.08 1nuwA1 PRO 1271 HD2 0.00 0.11 0.13 -0.04 3.68 3.89 1nuwA1 PRO 1271 HD3 0.01 0.26 -0.28 -0.04 3.65 3.60 1nuwA1 LYS 1272 H 0.00 0.12 -0.43 -0.55 8.42 7.56 1nuwA1 LYS 1272 HA -0.01 0.17 0.78 -0.75 4.32 4.51 1nuwA1 LYS 1272 HB2 -0.01 -0.02 -0.04 -0.04 1.87 1.76 1nuwA1 LYS 1272 HB3 -0.02 0.06 -0.12 -0.04 1.79 1.67 1nuwA1 LYS 1272 HG2 -0.01 0.02 0.01 -0.04 1.46 1.44 1nuwA1 LYS 1272 HG3 -0.01 -0.04 -0.16 -0.04 1.46 1.21 1nuwA1 LYS 1272 HD2 -0.01 -0.07 0.02 -0.04 1.69 1.58 1nuwA1 LYS 1272 HD3 -0.02 0.31 0.11 -0.04 1.68 2.04 1nuwA1 LYS 1272 HE2 -0.01 -0.00 -0.01 -0.04 2.99 2.92 1nuwA1 LYS 1272 HE3 -0.01 -0.06 0.02 -0.04 2.99 2.90 1nuwA1 GLY 1273 H 0.02 0.42 -0.22 -0.55 8.43 8.09 1nuwA1 GLY 1273 HA2 0.07 0.14 0.20 -0.51 4.01 3.91 1nuwA1 GLY 1273 HA3 0.02 0.08 0.12 -0.51 4.01 3.72 1nuwA1 LYS 1274 H -0.26 0.03 0.13 -0.55 8.42 7.77 1nuwA1 LYS 1274 HA -0.12 0.26 0.94 -0.75 4.32 4.64 1nuwA1 LYS 1274 HB2 -0.26 0.03 -0.01 -0.04 1.87 1.58 1nuwA1 LYS 1274 HB3 -1.16 -0.09 0.09 -0.04 1.79 0.59 1nuwA1 LYS 1274 HG2 -0.20 -0.06 -0.38 -0.04 1.46 0.78 1nuwA1 LYS 1274 HG3 -0.10 0.08 -0.01 -0.04 1.46 1.39 1nuwA1 LYS 1274 HD2 0.04 0.04 -0.03 -0.04 1.69 1.69 1nuwA1 LYS 1274 HD3 -0.23 -0.06 -0.04 -0.04 1.68 1.30 1nuwA1 LYS 1274 HE2 -0.01 -0.06 -0.04 -0.04 2.99 2.83 1nuwA1 LYS 1274 HE3 0.03 0.08 -0.02 -0.04 2.99 3.03 1nuwA1 LEU 1275 H -0.35 0.01 0.16 -0.55 8.37 7.63 1nuwA1 LEU 1275 HA -0.12 0.00 0.51 -0.75 4.35 3.99 1nuwA1 LEU 1275 HB2 -0.04 0.16 0.07 -0.04 1.64 1.78 1nuwA1 LEU 1275 HB3 -0.03 -0.08 0.05 -0.04 1.64 1.54 1nuwA1 LEU 1275 HG -0.38 -0.01 0.13 -0.04 1.64 1.34 1nuwA1 LEU 1275 HD13 0.25 0.01 -0.04 -0.04 0.93 1.11 1nuwA1 LEU 1275 HD23 -0.11 -0.01 -0.03 -0.04 0.89 0.69 1nuwA1 ARG 1276 H -0.09 0.01 0.16 -0.55 8.46 7.99 1nuwA1 ARG 1276 HA -0.15 0.36 0.66 -0.75 4.34 4.45 1nuwA1 ARG 1276 HB2 -0.23 -0.13 0.12 -0.04 1.90 1.62 1nuwA1 ARG 1276 HB3 -0.80 -0.03 -0.01 -0.04 1.80 0.92 1nuwA1 ARG 1276 HG2 -0.00 0.16 -0.09 -0.04 1.67 1.70 1nuwA1 ARG 1276 HG3 -0.05 0.16 -0.16 -0.04 1.67 1.57 1nuwA1 ARG 1276 HD2 0.28 -0.04 0.01 -0.04 3.22 3.42 1nuwA1 ARG 1276 HD3 0.06 0.09 -0.00 -0.04 3.22 3.33 1nuwA1 LEU 1277 H -0.16 0.91 0.24 -0.55 8.37 8.81 1nuwA1 LEU 1277 HA -0.09 -0.05 0.25 -0.75 4.35 3.70 1nuwA1 LEU 1277 HB2 -0.07 0.09 -0.22 -0.04 1.64 1.40 1nuwA1 LEU 1277 HB3 -0.10 0.03 -0.01 -0.04 1.64 1.52 1nuwA1 LEU 1277 HG -0.04 0.03 -0.37 -0.04 1.64 1.22 1nuwA1 LEU 1277 HD13 -0.02 -0.02 -0.06 -0.04 0.93 0.79 1nuwA1 LEU 1277 HD23 -0.03 0.03 -0.15 -0.04 0.89 0.69 1nuwA1 LEU 1278 H -0.28 0.23 -0.09 -0.55 8.37 7.68 1nuwA1 LEU 1278 HA -0.01 0.16 0.41 -0.75 4.35 4.15 1nuwA1 LEU 1278 HB2 -0.15 0.09 0.10 -0.04 1.64 1.63 1nuwA1 LEU 1278 HB3 0.09 -0.01 -0.08 -0.04 1.64 1.59 1nuwA1 LEU 1278 HG -0.02 0.12 0.04 -0.04 1.64 1.74 1nuwA1 LEU 1278 HD13 -0.09 -0.02 -0.03 -0.04 0.93 0.76 1nuwA1 LEU 1278 HD23 -0.04 0.01 -0.01 -0.04 0.89 0.82 1nuwA1 TYR 1279 H -0.70 0.05 -0.31 -0.55 8.29 6.77 1nuwA1 TYR 1279 HA 0.05 0.30 0.61 -0.75 4.56 4.75 1nuwA1 TYR 1279 HB2 0.04 -0.12 -0.33 -0.04 3.06 2.62 1nuwA1 TYR 1279 HB3 0.00 0.05 -0.40 -0.04 2.98 2.59 1nuwA1 TYR 1279 HD2 -0.02 -0.00 -0.24 -0.04 7.15 6.85 1nuwA1 TYR 1279 HE2 -0.04 0.08 -0.06 -0.04 6.85 6.80 1nuwA1 GLU 1280 H -0.13 0.27 -0.17 -0.55 8.60 8.02 1nuwA1 GLU 1280 HA 0.06 0.17 0.87 -0.75 4.29 4.64 1nuwA1 GLU 1280 HB2 -0.05 0.04 0.17 -0.04 2.09 2.21 1nuwA1 GLU 1280 HB3 0.01 -0.04 -0.00 -0.04 1.99 1.92 1nuwA1 GLU 1280 HG2 0.10 0.00 0.00 -0.04 2.34 2.40 1nuwA1 GLU 1280 HG3 0.19 -0.01 -0.31 -0.04 2.34 2.17 1nuwA1 CYS 1281 H -0.07 0.59 0.11 -0.55 8.50 8.58 1nuwA1 CYS 1281 HA 0.02 0.01 0.09 -0.75 4.58 3.95 1nuwA1 CYS 1281 HB2 -0.03 0.06 0.02 -0.04 2.97 2.98 1nuwA1 CYS 1281 HB3 0.01 -0.01 -0.16 -0.04 2.97 2.77 1nuwA1 ASN 1282 H -0.01 0.68 0.03 -0.55 8.53 8.69 1nuwA1 ASN 1282 HA 0.04 -0.05 0.24 -0.75 4.76 4.24 1nuwA1 ASN 1282 HB2 0.05 0.22 0.12 -0.04 2.88 3.22 1nuwA1 ASN 1282 HB3 0.06 0.00 -0.06 -0.04 2.79 2.75 1nuwA1 ASN 1282 HD21 0.05 0.03 0.00 -0.04 7.03 7.07 1nuwA1 ASN 1282 HD22 0.09 0.09 -0.03 -0.04 7.74 7.86 1nuwA1 PRO 1283 HA -0.03 0.07 0.45 -0.51 4.44 4.42 1nuwA1 PRO 1283 HB2 -0.01 -0.00 -0.12 -0.04 2.28 2.11 1nuwA1 PRO 1283 HB3 -0.12 0.20 0.08 -0.04 2.02 2.13 1nuwA1 PRO 1283 HG2 0.06 0.02 -0.36 -0.04 2.03 1.71 1nuwA1 PRO 1283 HG3 -0.00 0.08 -0.20 -0.04 2.03 1.87 1nuwA1 PRO 1283 HD2 0.02 -0.01 -0.81 -0.04 3.68 2.83 1nuwA1 PRO 1283 HD3 0.03 0.30 -0.23 -0.04 3.65 3.71 1nuwA1 MET 1284 H 0.02 0.39 -0.36 -0.55 8.47 7.97 1nuwA1 MET 1284 HA 0.05 0.03 0.32 -0.75 4.52 4.17 1nuwA1 MET 1284 HB2 0.01 0.10 -0.00 -0.04 2.15 2.21 1nuwA1 MET 1284 HB3 -0.03 -0.06 -0.08 -0.04 2.03 1.83 1nuwA1 MET 1284 HG2 -0.03 0.24 -0.01 -0.04 2.63 2.79 1nuwA1 MET 1284 HG3 -0.11 -0.11 -0.12 -0.04 2.56 2.17 1nuwA1 MET 1284 HE3 -0.46 -0.02 -0.17 -0.04 2.10 1.41 1nuwA1 ALA 1285 H 0.05 0.68 -0.14 -0.55 8.40 8.44 1nuwA1 ALA 1285 HA 0.04 -0.02 0.41 -0.75 4.34 4.01 1nuwA1 ALA 1285 HB3 0.05 -0.00 0.01 -0.04 1.41 1.43 1nuwA1 TYR 1286 H 0.15 0.59 -0.27 -0.55 8.29 8.21 1nuwA1 TYR 1286 HA -0.01 0.04 0.40 -0.75 4.56 4.24 1nuwA1 TYR 1286 HB2 -0.03 0.04 0.02 -0.04 3.06 3.05 1nuwA1 TYR 1286 HB3 -0.05 0.07 0.07 -0.04 2.98 3.03 1nuwA1 TYR 1286 HD2 -0.04 -0.01 -0.18 -0.04 7.15 6.87 1nuwA1 TYR 1286 HE2 -0.02 0.11 -0.36 -0.04 6.85 6.53 1nuwA1 VAL 1287 H 0.11 0.58 -0.13 -0.55 8.24 8.25 1nuwA1 VAL 1287 HA -0.03 0.03 0.34 -0.75 4.13 3.71 1nuwA1 VAL 1287 HB 0.09 0.07 0.05 -0.04 2.12 2.29 1nuwA1 VAL 1287 HG13 0.08 -0.02 -0.25 -0.04 0.97 0.74 1nuwA1 VAL 1287 HG23 0.05 0.03 -0.11 -0.04 0.95 0.88 1nuwA1 MET 1288 H 0.02 0.52 -0.36 -0.55 8.47 8.10 1nuwA1 MET 1288 HA -0.00 0.02 0.23 -0.75 4.52 4.02 1nuwA1 MET 1288 HB2 0.02 0.08 0.02 -0.04 2.15 2.22 1nuwA1 MET 1288 HB3 0.01 -0.07 -0.24 -0.04 2.03 1.69 1nuwA1 MET 1288 HG2 0.02 0.05 -0.07 -0.04 2.63 2.59 1nuwA1 MET 1288 HG3 0.03 -0.10 -0.10 -0.04 2.56 2.36 1nuwA1 MET 1288 HE3 0.00 -0.01 -0.19 -0.04 2.10 1.86 1nuwA1 GLU 1289 H -0.04 0.62 -0.18 -0.55 8.60 8.45 1nuwA1 GLU 1289 HA -0.04 0.26 0.39 -0.75 4.29 4.15 1nuwA1 GLU 1289 HB2 -0.09 0.07 0.13 -0.04 2.09 2.15 1nuwA1 GLU 1289 HB3 -0.06 -0.01 0.03 -0.04 1.99 1.91 1nuwA1 GLU 1289 HG2 -0.01 0.12 0.05 -0.04 2.34 2.45 1nuwA1 GLU 1289 HG3 0.00 0.06 0.03 -0.04 2.34 2.38 1nuwA1 LYS 1290 H -0.21 0.58 -0.28 -0.55 8.42 7.95 1nuwA1 LYS 1290 HA -0.14 0.07 0.38 -0.75 4.32 3.88 1nuwA1 LYS 1290 HB2 -0.23 0.02 0.01 -0.04 1.87 1.63 1nuwA1 LYS 1290 HB3 -0.15 -0.11 -0.03 -0.04 1.79 1.46 1nuwA1 LYS 1290 HG2 -0.87 0.05 -0.05 -0.04 1.46 0.55 1nuwA1 LYS 1290 HG3 -0.66 -0.05 -0.16 -0.04 1.46 0.55 1nuwA1 LYS 1290 HD2 -0.15 0.09 -0.02 -0.04 1.69 1.57 1nuwA1 LYS 1290 HD3 -0.20 -0.03 -0.07 -0.04 1.68 1.34 1nuwA1 LYS 1290 HE2 -0.40 -0.06 -0.10 -0.04 2.99 2.40 1nuwA1 LYS 1290 HE3 -0.15 -0.07 -0.21 -0.04 2.99 2.52 1nuwA1 ALA 1291 H -0.07 0.35 -0.40 -0.55 8.40 7.74 1nuwA1 ALA 1291 HA -0.03 0.28 0.88 -0.75 4.34 4.72 1nuwA1 ALA 1291 HB3 -0.02 -0.07 0.05 -0.04 1.41 1.32 1nuwA1 GLY 1292 H -0.04 0.49 -0.28 -0.55 8.43 8.05 1nuwA1 GLY 1292 HA2 -0.02 0.01 0.35 -0.51 4.01 3.84 1nuwA1 GLY 1292 HA3 -0.01 0.06 0.62 -0.51 4.01 4.17 1nuwA1 GLY 1293 H -0.01 0.62 -0.06 -0.55 8.43 8.43 1nuwA1 GLY 1293 HA2 0.01 0.14 0.83 -0.51 4.01 4.47 1nuwA1 GLY 1293 HA3 0.01 -0.05 0.26 -0.51 4.01 3.72 1nuwA1 LEU 1294 H 0.02 0.48 0.24 -0.55 8.37 8.57 1nuwA1 LEU 1294 HA 0.01 0.21 0.87 -0.75 4.35 4.68 1nuwA1 LEU 1294 HB2 0.01 -0.03 -0.07 -0.04 1.64 1.51 1nuwA1 LEU 1294 HB3 0.01 -0.08 -0.06 -0.04 1.64 1.46 1nuwA1 LEU 1294 HG 0.01 0.03 -0.33 -0.04 1.64 1.32 1nuwA1 LEU 1294 HD13 0.01 -0.00 -0.06 -0.04 0.93 0.83 1nuwA1 LEU 1294 HD23 0.00 0.05 -0.07 -0.04 0.89 0.84 1nuwA1 ALA 1295 H 0.01 0.22 0.09 -0.55 8.40 8.17 1nuwA1 ALA 1295 HA 0.03 0.33 0.95 -0.75 4.34 4.89 1nuwA1 ALA 1295 HB3 0.03 0.01 0.03 -0.04 1.41 1.44 1nuwA1 THR 1296 H -0.00 0.78 0.37 -0.55 8.28 8.88 1nuwA1 THR 1296 HA -0.03 0.16 1.04 -0.75 4.39 4.81 1nuwA1 THR 1296 HB -0.03 0.06 -0.22 -0.04 4.32 4.09 1nuwA1 THR 1296 HG23 -0.06 0.06 -0.13 -0.04 1.22 1.05 1nuwA1 THR 1297 H -0.07 0.56 0.29 -0.55 8.28 8.51 1nuwA1 THR 1297 HA -0.06 0.26 0.60 -0.75 4.39 4.44 1nuwA1 THR 1297 HB -0.08 0.05 0.12 -0.04 4.32 4.37 1nuwA1 THR 1297 HG23 -0.04 0.11 -0.01 -0.04 1.22 1.24 1nuwA1 GLY 1298 H -0.18 0.05 -0.18 -0.55 8.43 7.57 1nuwA1 GLY 1298 HA2 -0.48 0.04 0.18 -0.51 4.01 3.24 1nuwA1 GLY 1298 HA3 -1.01 0.20 0.71 -0.51 4.01 3.41 1nuwA1 LYS 1299 H -0.19 -0.14 -0.08 -0.55 8.42 7.46 1nuwA1 LYS 1299 HA -0.12 0.28 0.93 -0.75 4.32 4.66 1nuwA1 LYS 1299 HB2 -0.07 0.04 0.03 -0.04 1.87 1.83 1nuwA1 LYS 1299 HB3 -0.15 -0.00 -0.22 -0.04 1.79 1.38 1nuwA1 LYS 1299 HG2 -0.07 0.06 -0.64 -0.04 1.46 0.77 1nuwA1 LYS 1299 HG3 -0.05 0.03 -0.15 -0.04 1.46 1.26 1nuwA1 LYS 1299 HD2 -0.07 0.05 -0.08 -0.04 1.69 1.56 1nuwA1 LYS 1299 HD3 -0.13 -0.09 -0.13 -0.04 1.68 1.29 1nuwA1 LYS 1299 HE2 -0.06 -0.07 -0.07 -0.04 2.99 2.75 1nuwA1 LYS 1299 HE3 -0.04 0.04 -0.07 -0.04 2.99 2.88 1nuwA1 GLU 1300 H -0.09 -0.11 0.20 -0.55 8.60 8.05 1nuwA1 GLU 1300 HA -0.03 0.21 0.57 -0.75 4.29 4.29 1nuwA1 GLU 1300 HB2 -0.02 0.05 0.08 -0.04 2.09 2.15 1nuwA1 GLU 1300 HB3 -0.03 0.12 -0.22 -0.04 1.99 1.82 1nuwA1 GLU 1300 HG2 -0.05 -0.19 -0.07 -0.04 2.34 1.99 1nuwA1 GLU 1300 HG3 -0.03 0.13 -0.41 -0.04 2.34 1.99 1nuwA1 ALA 1301 H -0.01 0.21 0.12 -0.55 8.40 8.17 1nuwA1 ALA 1301 HA -0.01 0.15 0.69 -0.75 4.34 4.41 1nuwA1 ALA 1301 HB3 0.00 0.03 0.12 -0.04 1.41 1.52 1nuwA1 VAL 1302 H 0.00 0.53 0.26 -0.55 8.24 8.49 1nuwA1 VAL 1302 HA -0.00 0.09 0.33 -0.75 4.13 3.79 1nuwA1 VAL 1302 HB 0.02 0.01 0.01 -0.04 2.12 2.13 1nuwA1 VAL 1302 HG13 0.02 0.01 -0.26 -0.04 0.97 0.69 1nuwA1 VAL 1302 HG23 0.00 -0.00 -0.21 -0.04 0.95 0.69 1nuwA1 LEU 1303 H 0.03 0.14 -0.20 -0.55 8.37 7.79 1nuwA1 LEU 1303 HA 0.06 0.03 0.24 -0.75 4.35 3.93 1nuwA1 LEU 1303 HB2 0.05 0.02 -0.04 -0.04 1.64 1.63 1nuwA1 LEU 1303 HB3 0.09 0.02 -0.12 -0.04 1.64 1.59 1nuwA1 LEU 1303 HG 0.06 -0.10 -0.11 -0.04 1.64 1.45 1nuwA1 LEU 1303 HD13 0.09 0.05 -0.19 -0.04 0.93 0.84 1nuwA1 LEU 1303 HD23 0.12 0.03 -0.20 -0.04 0.89 0.81 1nuwA1 ASP 1304 H 0.02 0.29 -0.59 -0.55 8.40 7.57 1nuwA1 ASP 1304 HA 0.03 0.16 0.74 -0.75 4.63 4.80 1nuwA1 ASP 1304 HB2 0.01 0.02 0.04 -0.04 2.71 2.74 1nuwA1 ASP 1304 HB3 0.01 0.02 0.08 -0.04 2.70 2.76 1nuwA1 ILE 1305 H 0.01 0.34 -0.20 -0.55 8.25 7.85 1nuwA1 ILE 1305 HA -0.01 0.02 0.49 -0.75 4.18 3.92 1nuwA1 ILE 1305 HB -0.01 0.06 0.08 -0.04 1.89 1.98 1nuwA1 ILE 1305 HG12 -0.02 0.00 -0.05 -0.04 1.49 1.39 1nuwA1 ILE 1305 HG13 -0.01 0.00 0.00 -0.04 1.21 1.16 1nuwA1 ILE 1305 HG23 -0.02 -0.01 -0.27 -0.04 0.93 0.59 1nuwA1 ILE 1305 HD13 -0.02 -0.02 -0.02 -0.04 0.88 0.78 1nuwA1 VAL 1306 H -0.01 0.12 0.12 -0.55 8.24 7.92 1nuwA1 VAL 1306 HA -0.02 0.19 0.71 -0.75 4.13 4.26 1nuwA1 VAL 1306 HB -0.01 -0.08 0.14 -0.04 2.12 2.13 1nuwA1 VAL 1306 HG13 -0.03 0.04 -0.09 -0.04 0.97 0.85 1nuwA1 VAL 1306 HG23 -0.01 0.02 0.00 -0.04 0.95 0.92 1nuwA1 PRO 1307 HA -0.03 -0.00 0.30 -0.51 4.44 4.19 1nuwA1 PRO 1307 HB2 -0.05 -0.06 -0.19 -0.04 2.28 1.93 1nuwA1 PRO 1307 HB3 -0.05 -0.02 -0.03 -0.04 2.02 1.88 1nuwA1 PRO 1307 HG2 -0.08 -0.05 -0.15 -0.04 2.03 1.71 1nuwA1 PRO 1307 HG3 -0.06 0.11 -0.08 -0.04 2.03 1.95 1nuwA1 PRO 1307 HD2 -0.06 0.11 -0.35 -0.04 3.68 3.35 1nuwA1 PRO 1307 HD3 -0.03 0.32 -0.11 -0.04 3.65 3.78 1nuwA1 THR 1308 H -0.03 0.06 0.18 -0.55 8.28 7.94 1nuwA1 THR 1308 HA -0.03 0.24 0.76 -0.75 4.39 4.61 1nuwA1 THR 1308 HB -0.01 -0.01 0.12 -0.04 4.32 4.38 1nuwA1 THR 1308 HG23 -0.02 0.04 -0.09 -0.04 1.22 1.12 1nuwA1 ASP 1309 H -0.03 0.15 0.04 -0.55 8.40 8.00 1nuwA1 ASP 1309 HA -0.01 0.21 0.84 -0.75 4.63 4.92 1nuwA1 ASP 1309 HB2 0.00 0.15 -0.18 -0.04 2.71 2.64 1nuwA1 ASP 1309 HB3 -0.00 -0.06 0.08 -0.04 2.70 2.67 1nuwA1 ILE 1310 H -0.07 0.23 0.09 -0.55 8.25 7.96 1nuwA1 ILE 1310 HA -0.10 0.13 0.35 -0.75 4.18 3.81 1nuwA1 ILE 1310 HB -0.22 0.00 0.02 -0.04 1.89 1.66 1nuwA1 ILE 1310 HG12 -0.13 -0.05 0.09 -0.04 1.49 1.36 1nuwA1 ILE 1310 HG13 -0.78 0.06 -0.20 -0.04 1.21 0.24 1nuwA1 ILE 1310 HG23 -0.08 0.01 -0.05 -0.04 0.93 0.76 1nuwA1 ILE 1310 HD13 -0.12 0.05 -0.05 -0.04 0.88 0.73 1nuwA1 HIS 1311 H 0.01 0.04 -0.40 -0.55 8.41 7.52 1nuwA1 HIS 1311 HA 0.05 0.15 0.80 -0.75 4.63 4.89 1nuwA1 HIS 1311 HB2 0.03 0.02 0.01 -0.04 3.26 3.28 1nuwA1 HIS 1311 HB3 0.06 -0.00 0.09 -0.04 3.20 3.31 1nuwA1 HIS 1311 HD2 0.03 0.03 0.03 -0.04 6.97 7.01 1nuwA1 HIS 1311 HE1 -0.07 0.21 -0.00 -0.04 7.75 7.84 1nuwA1 GLN 1312 H -0.02 0.42 -0.32 -0.55 8.47 8.00 1nuwA1 GLN 1312 HA -0.00 0.05 0.50 -0.75 4.36 4.15 1nuwA1 GLN 1312 HB2 -0.03 -0.05 0.21 -0.04 2.15 2.24 1nuwA1 GLN 1312 HB3 -0.06 -0.04 0.11 -0.04 2.02 1.99 1nuwA1 GLN 1312 HG2 -0.04 0.10 -0.18 -0.04 2.40 2.23 1nuwA1 GLN 1312 HG3 -0.02 0.03 0.09 -0.04 2.39 2.45 1nuwA1 GLN 1312 HE21 -0.02 0.06 -0.08 -0.04 6.97 6.88 1nuwA1 GLN 1312 HE22 -0.03 0.11 -0.05 -0.04 7.69 7.69 1nuwA1 ARG 1313 H -0.02 0.11 0.18 -0.55 8.46 8.18 1nuwA1 ARG 1313 HA -0.07 0.10 0.81 -0.75 4.34 4.43 1nuwA1 ARG 1313 HB2 -0.03 -0.12 -0.05 -0.04 1.90 1.66 1nuwA1 ARG 1313 HB3 -0.05 0.13 -0.35 -0.04 1.80 1.49 1nuwA1 ARG 1313 HG2 -0.04 0.08 -0.18 -0.04 1.67 1.49 1nuwA1 ARG 1313 HG3 -0.02 -0.07 -0.04 -0.04 1.67 1.51 1nuwA1 ARG 1313 HD2 -0.02 -0.08 -0.04 -0.04 3.22 3.05 1nuwA1 ARG 1313 HD3 -0.05 0.09 0.04 -0.04 3.22 3.27 1nuwA1 ALA 1314 H -0.06 0.60 0.15 -0.55 8.40 8.55 1nuwA1 ALA 1314 HA -0.03 0.14 0.57 -0.75 4.34 4.27 1nuwA1 ALA 1314 HB3 -0.03 -0.03 -0.08 -0.04 1.41 1.23 1nuwA1 PRO 1315 HA 0.04 0.17 0.61 -0.51 4.44 4.75 1nuwA1 PRO 1315 HB2 -0.04 0.04 0.12 -0.04 2.28 2.36 1nuwA1 PRO 1315 HB3 0.01 -0.21 0.13 -0.04 2.02 1.90 1nuwA1 PRO 1315 HG2 -0.03 0.08 0.11 -0.04 2.03 2.15 1nuwA1 PRO 1315 HG3 0.00 -0.03 -0.21 -0.04 2.03 1.75 1nuwA1 PRO 1315 HD2 -0.03 0.03 0.21 -0.04 3.68 3.85 1nuwA1 PRO 1315 HD3 -0.02 0.19 0.14 -0.04 3.65 3.92 1nuwA1 ILE 1316 H 0.07 0.53 0.21 -0.55 8.25 8.51 1nuwA1 ILE 1316 HA 0.02 0.26 0.56 -0.75 4.18 4.26 1nuwA1 ILE 1316 HB 0.05 0.12 -0.27 -0.04 1.89 1.74 1nuwA1 ILE 1316 HG12 0.14 -0.03 -0.34 -0.04 1.49 1.22 1nuwA1 ILE 1316 HG13 0.06 -0.00 -0.08 -0.04 1.21 1.14 1nuwA1 ILE 1316 HG23 0.17 -0.02 -0.08 -0.04 0.93 0.97 1nuwA1 ILE 1316 HD13 0.07 -0.02 -0.14 -0.04 0.88 0.75 1nuwA1 ILE 1317 H 0.01 0.58 0.24 -0.55 8.25 8.54 1nuwA1 ILE 1317 HA -0.00 0.25 0.94 -0.75 4.18 4.61 1nuwA1 ILE 1317 HB -0.04 -0.05 0.04 -0.04 1.89 1.80 1nuwA1 ILE 1317 HG12 -0.08 0.01 -0.08 -0.04 1.49 1.30 1nuwA1 ILE 1317 HG13 -0.04 -0.05 -0.54 -0.04 1.21 0.54 1nuwA1 ILE 1317 HG23 -0.07 0.00 -0.16 -0.04 0.93 0.67 1nuwA1 ILE 1317 HD13 -0.03 -0.01 -0.31 -0.04 0.88 0.49 1nuwA1 LEU 1318 H 0.13 0.66 0.36 -0.55 8.37 8.97 1nuwA1 LEU 1318 HA 0.05 0.33 1.02 -0.75 4.35 5.00 1nuwA1 LEU 1318 HB2 0.07 0.10 0.10 -0.04 1.64 1.87 1nuwA1 LEU 1318 HB3 0.09 -0.10 -0.14 -0.04 1.64 1.45 1nuwA1 LEU 1318 HG 0.30 0.00 -0.03 -0.04 1.64 1.87 1nuwA1 LEU 1318 HD13 0.08 -0.01 -0.28 -0.04 0.93 0.68 1nuwA1 LEU 1318 HD23 0.09 -0.01 -0.21 -0.04 0.89 0.71 1nuwA1 GLY 1319 H 0.05 0.51 0.33 -0.55 8.43 8.77 1nuwA1 GLY 1319 HA2 0.06 0.02 0.25 -0.51 4.01 3.83 1nuwA1 GLY 1319 HA3 0.09 0.27 1.11 -0.51 4.01 4.97 1nuwA1 SER 1320 H 0.08 0.65 0.33 -0.55 8.46 8.97 1nuwA1 SER 1320 HA 0.04 0.29 0.40 -0.75 4.49 4.47 1nuwA1 SER 1320 HB2 0.09 -0.19 0.17 -0.04 3.95 3.98 1nuwA1 SER 1320 HB3 0.06 0.21 -0.36 -0.04 3.93 3.81 1nuwA1 PRO 1321 HA 0.03 -0.04 0.29 -0.51 4.44 4.21 1nuwA1 PRO 1321 HB2 0.02 -0.03 0.03 -0.04 2.28 2.26 1nuwA1 PRO 1321 HB3 0.02 0.09 0.11 -0.04 2.02 2.19 1nuwA1 PRO 1321 HG2 0.02 -0.05 0.27 -0.04 2.03 2.22 1nuwA1 PRO 1321 HG3 0.02 0.25 0.21 -0.04 2.03 2.47 1nuwA1 PRO 1321 HD2 0.03 0.20 0.34 -0.04 3.68 4.21 1nuwA1 PRO 1321 HD3 0.02 0.24 0.28 -0.04 3.65 4.15 1nuwA1 GLU 1322 H 0.05 0.75 0.11 -0.55 8.60 8.96 1nuwA1 GLU 1322 HA 0.04 0.05 0.43 -0.75 4.29 4.06 1nuwA1 GLU 1322 HB2 0.07 0.05 0.08 -0.04 2.09 2.25 1nuwA1 GLU 1322 HB3 0.06 -0.02 0.04 -0.04 1.99 2.02 1nuwA1 GLU 1322 HG2 0.03 -0.02 0.01 -0.04 2.34 2.32 1nuwA1 GLU 1322 HG3 0.04 0.06 0.05 -0.04 2.34 2.44 1nuwA1 ASP 1323 H 0.09 0.25 -0.30 -0.55 8.40 7.88 1nuwA1 ASP 1323 HA 0.16 0.10 0.41 -0.75 4.63 4.55 1nuwA1 ASP 1323 HB2 0.14 0.13 -0.00 -0.04 2.71 2.94 1nuwA1 ASP 1323 HB3 0.24 -0.01 -0.13 -0.04 2.70 2.75 1nuwA1 VAL 1324 H 0.05 0.64 -0.13 -0.55 8.24 8.25 1nuwA1 VAL 1324 HA -0.06 -0.02 0.31 -0.75 4.13 3.61 1nuwA1 VAL 1324 HB 0.02 0.14 -0.06 -0.04 2.12 2.17 1nuwA1 VAL 1324 HG13 -0.01 -0.04 -0.28 -0.04 0.97 0.60 1nuwA1 VAL 1324 HG23 0.03 0.03 -0.34 -0.04 0.95 0.63 1nuwA1 THR 1325 H 0.02 0.70 -0.24 -0.55 8.28 8.22 1nuwA1 THR 1325 HA 0.01 -0.04 0.38 -0.75 4.39 3.99 1nuwA1 THR 1325 HB 0.03 0.10 0.09 -0.04 4.32 4.49 1nuwA1 THR 1325 HG23 0.02 -0.02 -0.10 -0.04 1.22 1.08 1nuwA1 GLU 1326 H 0.05 0.45 -0.32 -0.55 8.60 8.23 1nuwA1 GLU 1326 HA 0.05 0.01 0.44 -0.75 4.29 4.04 1nuwA1 GLU 1326 HB2 0.09 0.09 0.13 -0.04 2.09 2.35 1nuwA1 GLU 1326 HB3 0.16 0.12 0.15 -0.04 1.99 2.37 1nuwA1 GLU 1326 HG2 0.22 -0.04 -0.22 -0.04 2.34 2.25 1nuwA1 GLU 1326 HG3 0.08 -0.04 0.01 -0.04 2.34 2.36 1nuwA1 LEU 1327 H -0.11 0.46 -0.22 -0.55 8.37 7.95 1nuwA1 LEU 1327 HA -0.12 0.01 0.51 -0.75 4.35 4.00 1nuwA1 LEU 1327 HB2 -0.96 0.04 0.03 -0.04 1.64 0.70 1nuwA1 LEU 1327 HB3 -0.25 0.12 0.08 -0.04 1.64 1.55 1nuwA1 LEU 1327 HG 0.04 -0.03 -0.21 -0.04 1.64 1.40 1nuwA1 LEU 1327 HD13 -0.26 -0.04 -0.09 -0.04 0.93 0.50 1nuwA1 LEU 1327 HD23 -0.39 -0.01 -0.10 -0.04 0.89 0.34 1nuwA1 LEU 1328 H -0.01 0.63 -0.13 -0.55 8.37 8.32 1nuwA1 LEU 1328 HA 0.11 -0.01 0.39 -0.75 4.35 4.08 1nuwA1 LEU 1328 HB2 0.01 0.13 0.12 -0.04 1.64 1.86 1nuwA1 LEU 1328 HB3 0.02 -0.02 -0.08 -0.04 1.64 1.52 1nuwA1 LEU 1328 HG -0.02 0.04 -0.08 -0.04 1.64 1.54 1nuwA1 LEU 1328 HD13 -0.01 -0.01 -0.18 -0.04 0.93 0.69 1nuwA1 LEU 1328 HD23 -0.05 -0.03 -0.16 -0.04 0.89 0.60 1nuwA1 GLU 1329 H 0.04 0.63 -0.26 -0.55 8.60 8.47 1nuwA1 GLU 1329 HA 0.04 -0.01 0.41 -0.75 4.29 3.98 1nuwA1 GLU 1329 HB2 0.04 0.20 0.13 -0.04 2.09 2.42 1nuwA1 GLU 1329 HB3 0.03 -0.06 -0.00 -0.04 1.99 1.92 1nuwA1 GLU 1329 HG2 0.02 -0.06 0.01 -0.04 2.34 2.27 1nuwA1 GLU 1329 HG3 0.03 0.11 0.04 -0.04 2.34 2.48 1nuwA1 ILE 1330 H 0.05 0.44 -0.24 -0.55 8.25 7.95 1nuwA1 ILE 1330 HA 0.07 0.04 0.45 -0.75 4.18 3.98 1nuwA1 ILE 1330 HB -0.04 0.09 0.17 -0.04 1.89 2.07 1nuwA1 ILE 1330 HG12 0.06 -0.03 -0.01 -0.04 1.49 1.46 1nuwA1 ILE 1330 HG13 0.06 0.23 0.07 -0.04 1.21 1.53 1nuwA1 ILE 1330 HG23 0.01 -0.02 -0.06 -0.04 0.93 0.82 1nuwA1 ILE 1330 HD13 0.13 -0.02 -0.09 -0.04 0.88 0.85 1nuwA1 TYR 1331 H 0.12 0.62 -0.03 -0.55 8.29 8.46 1nuwA1 TYR 1331 HA 0.04 -0.09 0.48 -0.75 4.56 4.23 1nuwA1 TYR 1331 HB2 -0.02 0.15 0.22 -0.04 3.06 3.37 1nuwA1 TYR 1331 HB3 -0.00 0.03 0.02 -0.04 2.98 2.98 1nuwA1 TYR 1331 HD2 -0.05 0.08 -0.06 -0.04 7.15 7.07 1nuwA1 TYR 1331 HE2 -0.09 -0.01 -0.05 -0.04 6.85 6.66 1nuwA1 GLN 1332 H 0.12 0.60 -0.22 -0.55 8.47 8.43 1nuwA1 GLN 1332 HA 0.08 -0.04 0.35 -0.75 4.36 3.99 1nuwA1 GLN 1332 HB2 0.05 0.12 0.17 -0.04 2.15 2.44 1nuwA1 GLN 1332 HB3 0.03 -0.06 0.01 -0.04 2.02 1.96 1nuwA1 GLN 1332 HG2 0.04 -0.08 0.02 -0.04 2.40 2.34 1nuwA1 GLN 1332 HG3 0.07 0.26 0.08 -0.04 2.39 2.76 1nuwA1 GLN 1332 HE21 0.01 -0.02 -0.08 -0.04 6.97 6.84 1nuwA1 GLN 1332 HE22 0.01 -0.01 -0.05 -0.04 7.69 7.60 1nuwA1 LYS 1333 H 0.05 0.65 -0.10 -0.55 8.42 8.47 1nuwA1 LYS 1333 HA -0.02 -0.00 0.45 -0.75 4.32 3.99 1nuwA1 LYS 1333 HB2 -0.02 0.00 0.11 -0.04 1.87 1.93 1nuwA1 LYS 1333 HB3 0.00 0.10 0.20 -0.04 1.79 2.05 1nuwA1 LYS 1333 HG2 -0.29 -0.01 -0.25 -0.04 1.46 0.88 1nuwA1 LYS 1333 HG3 -0.11 -0.04 0.03 -0.04 1.46 1.30 1nuwA1 LYS 1333 HD2 -0.08 -0.02 -0.02 -0.04 1.69 1.52 1nuwA1 LYS 1333 HD3 -0.04 0.01 -0.02 -0.04 1.68 1.59 1nuwA1 LYS 1333 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 1nuwA1 LYS 1333 HE3 -0.22 -0.02 -0.06 -0.04 2.99 2.64 1nuwA1 HIS 1334 H 0.15 0.55 -0.23 -0.55 8.41 8.34 1nuwA1 HIS 1334 HA -0.01 0.10 0.54 -0.75 4.63 4.51 1nuwA1 HIS 1334 HB2 -0.04 0.10 0.10 -0.04 3.26 3.38 1nuwA1 HIS 1334 HB3 -0.02 -0.09 0.04 -0.04 3.20 3.08 1nuwA1 HIS 1334 HD2 -0.08 0.28 -0.02 -0.04 6.97 7.10 1nuwA1 HIS 1334 HE1 -0.04 0.02 -0.06 -0.04 7.75 7.62 1nuwA1 ALA 1335 H 0.09 0.46 -0.55 -0.55 8.40 7.85 1nuwA1 ALA 1335 HA 0.08 0.01 0.16 -0.75 4.34 3.83 1nuwA1 ALA 1335 HB3 0.06 0.03 0.08 -0.04 1.41 1.54