============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 76 rings ring int. center anis. iso. HIS 2 0.900 20.526 9.039 25.100 -99.200 -91.000 TRP 8 1.040 26.345 22.311 32.487 -99.200 -91.000 TRP6 8 1.020 28.107 20.820 32.006 -99.200 -91.000 PHE 14 1.000 16.966 14.881 34.410 -99.200 -91.000 HIS 19 0.900 14.637 14.017 21.040 -99.200 -91.000 HIS 20 0.900 14.045 10.626 18.947 -99.200 -91.000 PHE 64 1.000 -6.971 12.193 23.944 -99.200 -91.000 TYR 68 0.840 -8.491 8.183 28.540 -99.200 -91.000 TYR 69 0.840 -9.013 3.720 26.521 -99.200 -91.000 PHE 72 1.000 -7.082 4.225 31.357 -99.200 -91.000 HIS 80 0.900 -5.930 1.337 23.573 -99.200 -91.000 TYR 97 0.840 -11.877 12.869 18.540 -99.200 -91.000 PHE 106 1.000 -4.217 11.565 29.060 -99.200 -91.000 TRP 112 1.040 0.099 22.824 34.059 -99.200 -91.000 TRP6 112 1.020 -0.889 22.643 36.205 -99.200 -91.000 TRP 124 1.040 1.944 16.532 36.117 -99.200 -91.000 TRP6 124 1.020 0.528 14.882 35.189 -99.200 -91.000 PHE 130 1.000 -15.072 24.875 37.328 -99.200 -91.000 PHE 142 1.000 -20.316 37.891 33.514 -99.200 -91.000 HIS 144 0.900 -20.460 27.475 31.460 -99.200 -91.000 HIS 148 0.900 -11.414 29.146 35.609 -99.200 -91.000 TYR 151 0.840 -12.404 25.094 42.001 -99.200 -91.000 PHE 165 1.000 -16.044 29.132 27.809 -99.200 -91.000 HIS 173 0.900 -20.656 28.442 13.061 -99.200 -91.000 PHE 175 1.000 -19.356 28.715 21.692 -99.200 -91.000 TRP 178 1.040 -12.529 38.413 20.979 -99.200 -91.000 TRP6 178 1.020 -12.881 40.226 19.501 -99.200 -91.000 TYR 185 0.840 -5.084 45.749 38.168 -99.200 -91.000 TYR 188 0.840 -7.974 53.901 31.525 -99.200 -91.000 PHE 204 1.000 -9.002 43.325 25.563 -99.200 -91.000 TRP 213 1.040 -15.411 49.196 30.731 -99.200 -91.000 TRP6 213 1.020 -13.207 50.001 31.060 -99.200 -91.000 TYR 217 0.840 -10.778 58.228 31.426 -99.200 -91.000 PHE 220 1.000 -2.621 49.579 40.404 -99.200 -91.000 PHE 237 1.000 -21.291 39.069 28.857 -99.200 -91.000 HIS 251 0.900 10.266 46.299 52.096 -99.200 -91.000 TYR 254 0.840 12.788 49.854 52.455 -99.200 -91.000 TRP 256 1.040 9.864 54.277 52.115 -99.200 -91.000 TRP6 256 1.020 9.999 53.371 49.940 -99.200 -91.000 PHE 257 1.000 6.753 48.907 48.161 -99.200 -91.000 TRP 264 1.040 -0.774 42.011 39.464 -99.200 -91.000 TRP6 264 1.020 -0.461 43.789 37.929 -99.200 -91.000 TYR 265 0.840 -4.235 40.576 37.856 -99.200 -91.000 PHE 282 1.000 -11.671 20.936 23.055 -99.200 -91.000 PHE 287 1.000 -3.989 28.164 30.399 -99.200 -91.000 TRP 290 1.040 0.342 28.580 43.158 -99.200 -91.000 TRP6 290 1.020 -0.833 26.565 43.509 -99.200 -91.000 TYR 291 0.840 0.102 36.805 39.507 -99.200 -91.000 PHE 301 1.000 3.681 46.066 41.437 -99.200 -91.000 TYR 307 0.840 0.863 49.011 36.614 -99.200 -91.000 HIS 322 0.900 24.050 59.847 40.927 -99.200 -91.000 TRP 328 1.040 20.121 52.992 40.354 -99.200 -91.000 TRP6 328 1.020 17.806 53.050 39.831 -99.200 -91.000 HIS 342 0.900 4.897 42.344 54.339 -99.200 -91.000 PHE 344 1.000 -0.246 38.197 45.764 -99.200 -91.000 HIS 354 0.900 12.974 34.768 42.919 -99.200 -91.000 HIS 355 0.900 15.568 32.410 45.443 -99.200 -91.000 PHE 361 1.000 10.941 22.908 35.214 -99.200 -91.000 TYR 364 0.840 7.047 18.762 35.487 -99.200 -91.000 TYR 369 0.840 14.255 14.457 30.943 -99.200 -91.000 TRP 379 1.040 18.348 27.659 30.627 -99.200 -91.000 TRP6 379 1.020 18.955 29.941 30.710 -99.200 -91.000 TRP 381 1.040 8.969 32.446 27.686 -99.200 -91.000 TRP6 381 1.020 6.800 33.204 28.276 -99.200 -91.000 PHE 394 1.000 22.610 30.792 34.661 -99.200 -91.000 HIS 395 0.900 23.766 27.112 37.729 -99.200 -91.000 TYR 401 0.840 10.526 17.476 23.839 -99.200 -91.000 PHE 406 1.000 2.551 23.254 22.927 -99.200 -91.000 TYR 407 0.840 -3.246 24.117 28.017 -99.200 -91.000 TYR 408 0.840 -0.241 24.255 19.274 -99.200 -91.000 TYR 409 0.840 2.181 32.058 22.747 -99.200 -91.000 TRP 414 1.040 -7.151 42.928 18.686 -99.200 -91.000 TRP6 414 1.020 -6.905 41.926 20.809 -99.200 -91.000 HIS 417 0.900 -15.599 39.000 15.129 -99.200 -91.000 TRP 419 1.040 -15.711 43.335 14.099 -99.200 -91.000 TRP6 419 1.020 -16.563 43.565 16.289 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 4nosC1 ARG 83 HA -0.04 -0.10 0.20 -0.75 4.34 3.65 4nosC1 ARG 83 HB2 -0.07 -0.03 0.04 -0.04 1.90 1.80 4nosC1 ARG 83 HB3 0.04 0.01 -0.05 -0.04 1.80 1.75 4nosC1 ARG 83 HG2 0.02 0.02 -0.01 -0.04 1.67 1.66 4nosC1 ARG 83 HG3 -0.03 -0.03 0.02 -0.04 1.67 1.59 4nosC1 ARG 83 HD2 0.04 -0.02 -0.03 -0.04 3.22 3.16 4nosC1 ARG 83 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.14 4nosC1 HIS 84 H -0.21 0.17 0.13 -0.55 8.41 7.95 4nosC1 HIS 84 HA 0.26 0.33 0.81 -0.75 4.63 5.28 4nosC1 HIS 84 HB2 0.11 -0.06 -0.38 -0.04 3.26 2.89 4nosC1 HIS 84 HB3 0.11 0.09 -0.49 -0.04 3.20 2.87 4nosC1 HIS 84 HD2 0.05 0.05 -0.16 -0.04 6.97 6.87 4nosC1 HIS 84 HE1 0.01 -0.04 -0.13 -0.04 7.75 7.55 4nosC1 VAL 85 H 0.20 0.45 0.24 -0.55 8.24 8.58 4nosC1 VAL 85 HA 0.08 0.12 0.82 -0.75 4.13 4.39 4nosC1 VAL 85 HB -0.13 -0.06 0.14 -0.04 2.12 2.03 4nosC1 VAL 85 HG13 -0.02 0.01 -0.13 -0.04 0.97 0.79 4nosC1 VAL 85 HG23 -0.18 0.01 -0.08 -0.04 0.95 0.66 4nosC1 ARG 86 H 0.13 0.14 0.15 -0.55 8.46 8.33 4nosC1 ARG 86 HA 0.01 0.30 1.02 -0.75 4.34 4.92 4nosC1 ARG 86 HB2 0.17 -0.02 0.06 -0.04 1.90 2.07 4nosC1 ARG 86 HB3 0.06 -0.05 0.11 -0.04 1.80 1.88 4nosC1 ARG 86 HG2 -0.05 -0.06 -0.13 -0.04 1.67 1.39 4nosC1 ARG 86 HG3 -0.07 0.21 0.06 -0.04 1.67 1.83 4nosC1 ARG 86 HD2 -0.03 0.01 -0.10 -0.04 3.22 3.06 4nosC1 ARG 86 HD3 0.06 -0.04 -0.04 -0.04 3.22 3.17 4nosC1 ILE 87 H -0.07 0.74 0.39 -0.55 8.25 8.77 4nosC1 ILE 87 HA -0.02 0.15 0.79 -0.75 4.18 4.35 4nosC1 ILE 87 HB 0.03 0.10 -0.06 -0.04 1.89 1.93 4nosC1 ILE 87 HG12 -0.04 0.00 -0.14 -0.04 1.49 1.27 4nosC1 ILE 87 HG13 -0.01 -0.17 -0.03 -0.04 1.21 0.95 4nosC1 ILE 87 HG23 0.06 -0.02 -0.33 -0.04 0.93 0.60 4nosC1 ILE 87 HD13 0.05 0.04 -0.09 -0.04 0.88 0.84 4nosC1 LYS 88 H -0.15 0.19 0.22 -0.55 8.42 8.12 4nosC1 LYS 88 HA -0.39 0.31 1.14 -0.75 4.32 4.61 4nosC1 LYS 88 HB2 -0.42 0.00 -0.27 -0.04 1.87 1.14 4nosC1 LYS 88 HB3 -0.86 -0.05 -0.05 -0.04 1.79 0.79 4nosC1 LYS 88 HG2 -1.14 -0.05 -0.41 -0.04 1.46 -0.18 4nosC1 LYS 88 HG3 -0.54 0.15 -0.24 -0.04 1.46 0.78 4nosC1 LYS 88 HD2 -0.47 -0.01 -0.12 -0.04 1.69 1.05 4nosC1 LYS 88 HD3 -1.71 -0.05 -0.13 -0.04 1.68 -0.25 4nosC1 LYS 88 HE2 -0.32 0.15 -0.05 -0.04 2.99 2.72 4nosC1 LYS 88 HE3 -0.23 -0.04 -0.05 -0.04 2.99 2.62 4nosC1 ASN 89 H -0.42 0.91 0.24 -0.55 8.53 8.71 4nosC1 ASN 89 HA -0.10 0.32 1.03 -0.75 4.76 5.26 4nosC1 ASN 89 HB2 -0.14 0.09 0.04 -0.04 2.88 2.82 4nosC1 ASN 89 HB3 -0.16 -0.21 0.20 -0.04 2.79 2.58 4nosC1 ASN 89 HD21 0.17 0.13 -0.11 -0.04 7.03 7.17 4nosC1 ASN 89 HD22 0.10 0.03 -0.07 -0.04 7.74 7.75 4nosC1 TRP 90 H 0.09 0.74 0.29 -0.55 7.97 8.54 4nosC1 TRP 90 HA 0.03 0.09 0.47 -0.75 4.62 4.46 4nosC1 TRP 90 HB2 0.20 0.04 0.12 -0.04 3.23 3.55 4nosC1 TRP 90 HB3 0.09 -0.01 0.12 -0.04 3.23 3.40 4nosC1 TRP 90 HD1 0.08 0.11 0.01 -0.04 7.22 7.38 4nosC1 TRP 90 HE1 -0.00 -0.01 -0.01 -0.04 10.20 10.13 4nosC1 TRP 90 HE3 0.02 -0.00 0.02 -0.04 7.59 7.59 4nosC1 TRP 90 HZ2 -0.01 0.00 -0.04 -0.04 7.44 7.36 4nosC1 TRP 90 HZ3 0.00 -0.00 -0.03 -0.04 7.13 7.06 4nosC1 TRP 90 HH2 -0.00 0.00 -0.04 -0.04 7.19 7.10 4nosC1 GLY 91 H 0.14 0.08 -0.26 -0.55 8.43 7.84 4nosC1 GLY 91 HA2 -0.03 0.21 0.78 -0.51 4.01 4.47 4nosC1 GLY 91 HA3 -0.07 0.04 0.28 -0.51 4.01 3.74 4nosC1 SER 92 H -0.02 0.04 -0.12 -0.55 8.46 7.81 4nosC1 SER 92 HA -0.02 0.25 0.87 -0.75 4.49 4.84 4nosC1 SER 92 HB2 -0.04 0.05 0.12 -0.04 3.95 4.04 4nosC1 SER 92 HB3 -0.01 0.01 -0.11 -0.04 3.93 3.78 4nosC1 GLY 93 H -0.08 0.23 0.11 -0.55 8.43 8.14 4nosC1 GLY 93 HA2 -0.20 0.02 0.35 -0.51 4.01 3.67 4nosC1 GLY 93 HA3 -0.10 0.04 0.33 -0.51 4.01 3.77 4nosC1 MET 94 H -0.18 -0.07 -0.56 -0.55 8.47 7.10 4nosC1 MET 94 HA -0.24 0.11 0.53 -0.75 4.52 4.17 4nosC1 MET 94 HB2 -0.19 0.04 0.04 -0.04 2.15 2.00 4nosC1 MET 94 HB3 -0.34 -0.09 0.01 -0.04 2.03 1.57 4nosC1 MET 94 HG2 -0.66 0.07 -0.12 -0.04 2.63 1.88 4nosC1 MET 94 HG3 -0.26 0.02 0.06 -0.04 2.56 2.34 4nosC1 MET 94 HE3 -0.05 -0.00 -0.01 -0.04 2.10 2.00 4nosC1 THR 95 H -0.35 0.21 0.24 -0.55 8.28 7.84 4nosC1 THR 95 HA -0.45 0.19 1.19 -0.75 4.39 4.57 4nosC1 THR 95 HB -0.21 0.10 0.07 -0.04 4.32 4.25 4nosC1 THR 95 HG23 -0.27 0.00 -0.18 -0.04 1.22 0.73 4nosC1 PHE 96 H -0.25 0.57 0.33 -0.55 8.34 8.44 4nosC1 PHE 96 HA -0.28 0.21 0.88 -0.75 4.62 4.67 4nosC1 PHE 96 HB2 -0.72 -0.04 -0.04 -0.04 3.15 2.31 4nosC1 PHE 96 HB3 -1.29 0.01 -0.05 -0.04 3.06 1.69 4nosC1 PHE 96 HD2 -0.31 0.04 -0.10 -0.04 7.28 6.88 4nosC1 PHE 96 HE2 -0.05 0.01 -0.11 -0.04 7.38 7.18 4nosC1 PHE 96 HZ -0.04 -0.00 -0.14 -0.04 7.32 7.10 4nosC1 GLN 97 H -0.04 0.26 0.07 -0.55 8.47 8.21 4nosC1 GLN 97 HA -0.13 0.23 0.89 -0.75 4.36 4.60 4nosC1 GLN 97 HB2 -0.27 0.02 0.11 -0.04 2.15 1.97 4nosC1 GLN 97 HB3 -1.11 0.02 -0.09 -0.04 2.02 0.80 4nosC1 GLN 97 HG2 -0.45 -0.00 -0.13 -0.04 2.40 1.78 4nosC1 GLN 97 HG3 -0.20 -0.07 -0.52 -0.04 2.39 1.55 4nosC1 GLN 97 HE21 -0.04 -0.01 -0.06 -0.04 6.97 6.82 4nosC1 GLN 97 HE22 -0.45 0.00 -0.09 -0.04 7.69 7.11 4nosC1 ASP 98 H 0.09 0.73 0.21 -0.55 8.40 8.88 4nosC1 ASP 98 HA 0.33 0.23 0.80 -0.75 4.63 5.23 4nosC1 ASP 98 HB2 0.25 0.02 0.05 -0.04 2.71 2.99 4nosC1 ASP 98 HB3 0.04 -0.05 0.16 -0.04 2.70 2.82 4nosC1 THR 99 H 0.15 0.63 0.49 -0.55 8.28 9.00 4nosC1 THR 99 HA 0.24 0.29 0.95 -0.75 4.39 5.13 4nosC1 THR 99 HB 0.11 0.00 0.08 -0.04 4.32 4.47 4nosC1 THR 99 HG23 0.17 0.04 -0.15 -0.04 1.22 1.24 4nosC1 LEU 100 H 0.06 0.47 0.28 -0.55 8.37 8.63 4nosC1 LEU 100 HA -0.01 0.11 0.28 -0.75 4.35 3.98 4nosC1 LEU 100 HB2 -0.02 0.32 -0.18 -0.04 1.64 1.72 4nosC1 LEU 100 HB3 0.07 -0.18 -0.04 -0.04 1.64 1.45 4nosC1 LEU 100 HG 0.15 -0.08 -0.25 -0.04 1.64 1.42 4nosC1 LEU 100 HD13 -0.01 0.04 -0.02 -0.04 0.93 0.90 4nosC1 LEU 100 HD23 0.01 -0.01 -0.27 -0.04 0.89 0.58 4nosC1 HIS 101 H -0.10 0.08 -0.36 -0.55 8.41 7.49 4nosC1 HIS 101 HA -1.40 0.04 0.26 -0.75 4.63 2.77 4nosC1 HIS 101 HB2 -0.93 -0.01 -0.02 -0.04 3.26 2.27 4nosC1 HIS 101 HB3 -0.91 -0.06 -0.05 -0.04 3.20 2.14 4nosC1 HIS 101 HD2 -0.34 -0.03 -0.18 -0.04 6.97 6.38 4nosC1 HIS 101 HE1 -0.21 0.08 -0.03 -0.04 7.75 7.55 4nosC1 HIS 102 H -0.54 0.46 -0.51 -0.55 8.41 7.28 4nosC1 HIS 102 HA -0.37 0.03 0.42 -0.75 4.63 3.95 4nosC1 HIS 102 HB2 -0.22 0.16 0.07 -0.04 3.26 3.23 4nosC1 HIS 102 HB3 -0.18 -0.05 0.08 -0.04 3.20 3.01 4nosC1 HIS 102 HD2 -0.23 -0.04 -0.00 -0.04 6.97 6.66 4nosC1 HIS 102 HE1 0.02 0.04 -0.24 -0.04 7.75 7.53 4nosC1 LYS 103 H -0.11 0.54 -0.33 -0.55 8.42 7.96 4nosC1 LYS 103 HA -0.01 0.11 0.72 -0.75 4.32 4.38 4nosC1 LYS 103 HB2 0.01 0.12 0.04 -0.04 1.87 2.00 4nosC1 LYS 103 HB3 0.01 -0.07 0.10 -0.04 1.79 1.80 4nosC1 LYS 103 HG2 -0.00 -0.03 -0.02 -0.04 1.46 1.37 4nosC1 LYS 103 HG3 -0.01 -0.04 -0.11 -0.04 1.46 1.27 4nosC1 LYS 103 HD2 0.00 0.03 0.02 -0.04 1.69 1.69 4nosC1 LYS 103 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 4nosC1 LYS 103 HE2 -0.00 -0.04 -0.03 -0.04 2.99 2.88 4nosC1 LYS 103 HE3 -0.00 0.01 -0.05 -0.04 2.99 2.90 4nosC1 ALA 104 H -0.09 0.30 -0.32 -0.55 8.40 7.74 4nosC1 ALA 104 HA 0.06 0.13 0.39 -0.75 4.34 4.16 4nosC1 ALA 104 HB3 0.06 -0.05 0.02 -0.04 1.41 1.40 4nosC1 LYS 105 H -0.01 0.58 0.32 -0.55 8.42 8.76 4nosC1 LYS 105 HA 0.00 0.10 0.63 -0.75 4.32 4.30 4nosC1 LYS 105 HB2 -0.04 -0.01 0.16 -0.04 1.87 1.95 4nosC1 LYS 105 HB3 -0.00 -0.02 -0.04 -0.04 1.79 1.68 4nosC1 LYS 105 HG2 0.02 -0.02 -0.05 -0.04 1.46 1.36 4nosC1 LYS 105 HG3 0.00 0.08 -0.07 -0.04 1.46 1.44 4nosC1 LYS 105 HD2 0.03 0.11 -0.21 -0.04 1.69 1.58 4nosC1 LYS 105 HD3 0.04 -0.02 -0.08 -0.04 1.68 1.58 4nosC1 LYS 105 HE2 0.07 -0.02 -0.09 -0.04 2.99 2.91 4nosC1 LYS 105 HE3 0.03 -0.01 -0.07 -0.04 2.99 2.89 4nosC1 GLY 106 H -0.00 0.20 0.11 -0.55 8.43 8.19 4nosC1 GLY 106 HA2 0.01 0.02 0.36 -0.51 4.01 3.89 4nosC1 GLY 106 HA3 0.00 0.03 0.39 -0.51 4.01 3.92 4nosC1 ILE 107 H -0.00 0.48 0.37 -0.55 8.25 8.55 4nosC1 ILE 107 HA 0.00 0.25 0.96 -0.75 4.18 4.64 4nosC1 ILE 107 HB 0.01 0.01 0.09 -0.04 1.89 1.95 4nosC1 ILE 107 HG12 -0.04 0.12 0.06 -0.04 1.49 1.59 4nosC1 ILE 107 HG13 -0.02 -0.12 -0.28 -0.04 1.21 0.75 4nosC1 ILE 107 HG23 -0.00 -0.01 -0.37 -0.04 0.93 0.51 4nosC1 ILE 107 HD13 -0.01 0.07 0.01 -0.04 0.88 0.90 4nosC1 LEU 108 H 0.01 0.06 0.13 -0.55 8.37 8.02 4nosC1 LEU 108 HA 0.02 0.07 0.57 -0.75 4.35 4.25 4nosC1 LEU 108 HB2 0.03 0.06 0.12 -0.04 1.64 1.80 4nosC1 LEU 108 HB3 0.03 -0.09 0.09 -0.04 1.64 1.62 4nosC1 LEU 108 HG 0.02 0.01 0.10 -0.04 1.64 1.73 4nosC1 LEU 108 HD13 0.06 -0.01 -0.02 -0.04 0.93 0.92 4nosC1 LEU 108 HD23 -0.00 0.01 -0.11 -0.04 0.89 0.75 4nosC1 THR 109 H 0.03 0.09 0.12 -0.55 8.28 7.97 4nosC1 THR 109 HA 0.02 0.24 0.62 -0.75 4.39 4.51 4nosC1 THR 109 HB 0.02 -0.00 0.19 -0.04 4.32 4.49 4nosC1 THR 109 HG23 0.02 0.02 0.01 -0.04 1.22 1.24 4nosC1 CYS 110 H 0.02 0.13 -0.49 -0.55 8.50 7.61 4nosC1 CYS 110 HA 0.02 0.11 0.88 -0.75 4.58 4.84 4nosC1 CYS 110 HB2 0.03 0.01 0.08 -0.04 2.97 3.05 4nosC1 CYS 110 HB3 0.02 0.10 -0.03 -0.04 2.97 3.02 4nosC1 ARG 111 H 0.01 0.62 0.33 -0.55 8.46 8.88 4nosC1 ARG 111 HA 0.01 0.25 0.86 -0.75 4.34 4.70 4nosC1 ARG 111 HB2 0.01 -0.12 0.15 -0.04 1.90 1.90 4nosC1 ARG 111 HB3 0.01 0.13 -0.09 -0.04 1.80 1.80 4nosC1 ARG 111 HG2 0.01 0.13 -0.02 -0.04 1.67 1.75 4nosC1 ARG 111 HG3 0.01 -0.21 -0.06 -0.04 1.67 1.37 4nosC1 ARG 111 HD2 0.01 -0.06 -0.02 -0.04 3.22 3.10 4nosC1 ARG 111 HD3 0.01 0.07 -0.05 -0.04 3.22 3.21 4nosC1 SER 112 H 0.01 0.19 0.14 -0.55 8.46 8.25 4nosC1 SER 112 HA 0.01 0.10 0.37 -0.75 4.49 4.22 4nosC1 SER 112 HB2 0.01 0.04 0.08 -0.04 3.95 4.03 4nosC1 SER 112 HB3 0.01 0.03 0.13 -0.04 3.93 4.06 4nosC1 LYS 113 H 0.01 0.01 -0.30 -0.55 8.42 7.59 4nosC1 LYS 113 HA 0.00 0.22 0.77 -0.75 4.32 4.56 4nosC1 LYS 113 HB2 0.01 -0.01 0.01 -0.04 1.87 1.84 4nosC1 LYS 113 HB3 0.01 0.02 0.12 -0.04 1.79 1.89 4nosC1 LYS 113 HG2 0.00 0.06 -0.08 -0.04 1.46 1.40 4nosC1 LYS 113 HG3 0.01 -0.10 -0.08 -0.04 1.46 1.24 4nosC1 LYS 113 HD2 0.00 0.01 -0.02 -0.04 1.69 1.64 4nosC1 LYS 113 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 4nosC1 LYS 113 HE2 0.01 0.01 -0.00 -0.04 2.99 2.96 4nosC1 LYS 113 HE3 0.00 0.01 0.01 -0.04 2.99 2.98 4nosC1 SER 114 H 0.01 0.47 -0.37 -0.55 8.46 8.01 4nosC1 SER 114 HA 0.01 0.05 0.47 -0.75 4.49 4.27 4nosC1 SER 114 HB2 0.01 0.03 -0.04 -0.04 3.95 3.91 4nosC1 SER 114 HB3 0.01 0.18 -0.12 -0.04 3.93 3.97 4nosC1 CYS 115 H 0.01 0.22 0.16 -0.55 8.50 8.35 4nosC1 CYS 115 HA 0.02 0.13 0.94 -0.75 4.58 4.91 4nosC1 CYS 115 HB2 0.01 0.10 0.06 -0.04 2.97 3.10 4nosC1 CYS 115 HB3 0.00 0.01 0.17 -0.04 2.97 3.11 4nosC1 LEU 116 H 0.03 0.20 0.04 -0.55 8.37 8.09 4nosC1 LEU 116 HA 0.04 0.19 0.74 -0.75 4.35 4.56 4nosC1 LEU 116 HB2 0.04 -0.04 0.23 -0.04 1.64 1.82 4nosC1 LEU 116 HB3 0.03 0.06 0.09 -0.04 1.64 1.78 4nosC1 LEU 116 HG 0.03 0.03 -0.12 -0.04 1.64 1.54 4nosC1 LEU 116 HD13 0.03 -0.00 0.02 -0.04 0.93 0.93 4nosC1 LEU 116 HD23 0.02 -0.01 -0.28 -0.04 0.89 0.58 4nosC1 GLY 117 H 0.04 0.16 -0.13 -0.55 8.43 7.96 4nosC1 GLY 117 HA2 0.07 0.13 0.36 -0.51 4.01 4.07 4nosC1 GLY 117 HA3 0.07 0.04 0.29 -0.51 4.01 3.90 4nosC1 SER 118 H 0.07 0.02 -0.42 -0.55 8.46 7.58 4nosC1 SER 118 HA 0.16 0.23 0.74 -0.75 4.49 4.87 4nosC1 SER 118 HB2 0.10 0.03 0.07 -0.04 3.95 4.11 4nosC1 SER 118 HB3 0.09 -0.02 -0.03 -0.04 3.93 3.93 4nosC1 ILE 119 H 0.09 0.26 -0.32 -0.55 8.25 7.73 4nosC1 ILE 119 HA 0.08 -0.00 0.45 -0.75 4.18 3.96 4nosC1 ILE 119 HB 0.07 0.06 0.07 -0.04 1.89 2.05 4nosC1 ILE 119 HG12 0.06 0.06 0.10 -0.04 1.49 1.67 4nosC1 ILE 119 HG13 0.05 -0.02 0.05 -0.04 1.21 1.25 4nosC1 ILE 119 HG23 0.06 -0.03 -0.19 -0.04 0.93 0.72 4nosC1 ILE 119 HD13 0.05 -0.00 -0.03 -0.04 0.88 0.86 4nosC1 MET 120 H 0.11 0.08 0.13 -0.55 8.47 8.25 4nosC1 MET 120 HA 0.28 0.14 0.40 -0.75 4.52 4.59 4nosC1 MET 120 HB2 0.17 0.02 0.14 -0.04 2.15 2.43 4nosC1 MET 120 HB3 0.12 -0.05 0.10 -0.04 2.03 2.15 4nosC1 MET 120 HG2 0.33 0.02 -0.09 -0.04 2.63 2.85 4nosC1 MET 120 HG3 0.57 0.03 0.03 -0.04 2.56 3.15 4nosC1 MET 120 HE3 0.09 -0.01 -0.01 -0.04 2.10 2.13 4nosC1 THR 121 H 0.04 0.03 -0.16 -0.55 8.28 7.64 4nosC1 THR 121 HA -0.01 0.33 0.99 -0.75 4.39 4.94 4nosC1 THR 121 HB -0.08 -0.05 0.15 -0.04 4.32 4.30 4nosC1 THR 121 HG23 -0.57 0.03 -0.06 -0.04 1.22 0.58 4nosC1 PRO 122 HA 0.06 0.06 0.36 -0.51 4.44 4.41 4nosC1 PRO 122 HB2 0.07 -0.19 0.05 -0.04 2.28 2.17 4nosC1 PRO 122 HB3 0.07 0.09 0.04 -0.04 2.02 2.18 4nosC1 PRO 122 HG2 0.12 -0.14 -0.06 -0.04 2.03 1.90 4nosC1 PRO 122 HG3 0.08 0.10 -0.03 -0.04 2.03 2.14 4nosC1 PRO 122 HD2 0.22 0.18 0.05 -0.04 3.68 4.09 4nosC1 PRO 122 HD3 0.11 0.41 -0.38 -0.04 3.65 3.74 4nosC1 LYS 123 H 0.05 0.14 0.17 -0.55 8.42 8.22 4nosC1 LYS 123 HA 0.06 0.18 0.51 -0.75 4.32 4.32 4nosC1 LYS 123 HB2 0.03 -0.04 0.12 -0.04 1.87 1.93 4nosC1 LYS 123 HB3 0.02 0.08 0.06 -0.04 1.79 1.92 4nosC1 LYS 123 HG2 0.02 0.04 -0.00 -0.04 1.46 1.48 4nosC1 LYS 123 HG3 0.02 -0.02 0.00 -0.04 1.46 1.42 4nosC1 LYS 123 HD2 0.00 0.00 -0.01 -0.04 1.69 1.65 4nosC1 LYS 123 HD3 0.01 -0.03 0.01 -0.04 1.68 1.64 4nosC1 LYS 123 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 4nosC1 LYS 123 HE3 0.00 0.02 -0.00 -0.04 2.99 2.97 4nosC1 SER 124 H 0.06 -0.04 -0.19 -0.55 8.46 7.75 4nosC1 SER 124 HA 0.04 0.19 0.45 -0.75 4.49 4.42 4nosC1 SER 124 HB2 0.03 0.04 -0.09 -0.04 3.95 3.88 4nosC1 SER 124 HB3 0.03 0.08 0.15 -0.04 3.93 4.16 4nosC1 LEU 125 H 0.13 0.12 -0.60 -0.55 8.37 7.48 4nosC1 LEU 125 HA 0.18 0.21 0.68 -0.75 4.35 4.67 4nosC1 LEU 125 HB2 0.22 0.09 -0.03 -0.04 1.64 1.89 4nosC1 LEU 125 HB3 -0.01 0.00 0.14 -0.04 1.64 1.73 4nosC1 LEU 125 HG 0.06 -0.15 -0.17 -0.04 1.64 1.34 4nosC1 LEU 125 HD13 0.00 0.02 -0.02 -0.04 0.93 0.89 4nosC1 LEU 125 HD23 -0.03 0.04 -0.18 -0.04 0.89 0.68 4nosC1 THR 126 H 0.16 0.35 -0.53 -0.55 8.28 7.70 4nosC1 THR 126 HA 0.25 0.11 0.70 -0.75 4.39 4.70 4nosC1 THR 126 HB 0.08 0.02 0.04 -0.04 4.32 4.42 4nosC1 THR 126 HG23 0.04 -0.03 -0.46 -0.04 1.22 0.73 4nosC1 ARG 127 H 0.11 0.77 0.11 -0.55 8.46 8.89 4nosC1 ARG 127 HA -0.17 0.11 0.81 -0.75 4.34 4.34 4nosC1 ARG 127 HB2 -0.66 -0.03 -0.06 -0.04 1.90 1.10 4nosC1 ARG 127 HB3 -0.08 0.02 0.13 -0.04 1.80 1.84 4nosC1 ARG 127 HG2 -0.23 -0.05 -0.08 -0.04 1.67 1.27 4nosC1 ARG 127 HG3 -0.15 0.10 -0.08 -0.04 1.67 1.49 4nosC1 ARG 127 HD2 -0.26 0.01 0.02 -0.04 3.22 2.96 4nosC1 ARG 127 HD3 -0.76 -0.00 -0.07 -0.04 3.22 2.35 4nosC1 GLY 128 H -0.05 0.13 -0.03 -0.55 8.43 7.93 4nosC1 GLY 128 HA2 -0.04 0.01 0.68 -0.51 4.01 4.16 4nosC1 GLY 128 HA3 -0.04 0.01 0.31 -0.51 4.01 3.78 4nosC1 PRO 129 HA -0.03 0.04 0.36 -0.51 4.44 4.29 4nosC1 PRO 129 HB2 -0.04 -0.01 -0.05 -0.04 2.28 2.13 4nosC1 PRO 129 HB3 -0.04 0.12 0.08 -0.04 2.02 2.13 4nosC1 PRO 129 HG2 -0.06 0.03 0.04 -0.04 2.03 2.00 4nosC1 PRO 129 HG3 -0.07 0.07 0.06 -0.04 2.03 2.06 4nosC1 PRO 129 HD2 -0.05 0.10 0.14 -0.04 3.68 3.83 4nosC1 PRO 129 HD3 -0.06 0.01 0.23 -0.04 3.65 3.79 4nosC1 ARG 130 H -0.03 0.22 0.22 -0.55 8.46 8.32 4nosC1 ARG 130 HA -0.03 0.14 0.82 -0.75 4.34 4.51 4nosC1 ARG 130 HB2 -0.03 -0.12 -0.03 -0.04 1.90 1.67 4nosC1 ARG 130 HB3 -0.03 0.21 0.04 -0.04 1.80 1.97 4nosC1 ARG 130 HG2 -0.04 0.09 -0.08 -0.04 1.67 1.61 4nosC1 ARG 130 HG3 -0.04 0.02 -0.16 -0.04 1.67 1.44 4nosC1 ARG 130 HD2 -0.03 0.26 0.00 -0.04 3.22 3.41 4nosC1 ARG 130 HD3 -0.03 -0.04 -0.05 -0.04 3.22 3.06 4nosC1 ASP 131 H -0.03 0.11 0.16 -0.55 8.40 8.10 4nosC1 ASP 131 HA -0.05 0.22 0.91 -0.75 4.63 4.96 4nosC1 ASP 131 HB2 -0.03 -0.01 0.15 -0.04 2.71 2.77 4nosC1 ASP 131 HB3 -0.03 -0.00 -0.04 -0.04 2.70 2.59 4nosC1 LYS 132 H -0.03 0.16 0.13 -0.55 8.42 8.12 4nosC1 LYS 132 HA -0.02 0.12 0.75 -0.75 4.32 4.42 4nosC1 LYS 132 HB2 -0.01 -0.00 -0.08 -0.04 1.87 1.73 4nosC1 LYS 132 HB3 -0.01 0.04 0.10 -0.04 1.79 1.88 4nosC1 LYS 132 HG2 -0.02 0.16 -0.18 -0.04 1.46 1.39 4nosC1 LYS 132 HG3 -0.02 -0.17 -0.34 -0.04 1.46 0.89 4nosC1 LYS 132 HD2 -0.01 0.03 -0.03 -0.04 1.69 1.65 4nosC1 LYS 132 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.61 4nosC1 LYS 132 HE2 -0.01 -0.02 -0.04 -0.04 2.99 2.88 4nosC1 LYS 132 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.90 4nosC1 PRO 133 HA -0.02 0.11 0.69 -0.51 4.44 4.72 4nosC1 PRO 133 HB2 0.00 0.16 -0.03 -0.04 2.28 2.37 4nosC1 PRO 133 HB3 0.00 0.17 0.06 -0.04 2.02 2.21 4nosC1 PRO 133 HG2 0.00 0.00 0.03 -0.04 2.03 2.03 4nosC1 PRO 133 HG3 0.01 0.01 0.03 -0.04 2.03 2.03 4nosC1 PRO 133 HD2 -0.00 0.07 0.25 -0.04 3.68 3.95 4nosC1 PRO 133 HD3 -0.00 0.02 0.14 -0.04 3.65 3.77 4nosC1 THR 134 H -0.02 0.15 0.13 -0.55 8.28 8.00 4nosC1 THR 134 HA -0.01 0.04 0.41 -0.75 4.39 4.08 4nosC1 THR 134 HB -0.00 -0.00 0.12 -0.04 4.32 4.40 4nosC1 THR 134 HG23 0.00 0.03 -0.12 -0.04 1.22 1.10 4nosC1 PRO 135 HA 0.00 0.16 0.58 -0.51 4.44 4.67 4nosC1 PRO 135 HB2 -0.00 -0.18 0.11 -0.04 2.28 2.17 4nosC1 PRO 135 HB3 -0.00 0.01 0.14 -0.04 2.02 2.13 4nosC1 PRO 135 HG2 -0.01 -0.01 0.10 -0.04 2.03 2.08 4nosC1 PRO 135 HG3 -0.00 0.11 0.13 -0.04 2.03 2.23 4nosC1 PRO 135 HD2 -0.01 0.01 0.21 -0.04 3.68 3.86 4nosC1 PRO 135 HD3 -0.01 0.26 0.24 -0.04 3.65 4.11 4nosC1 PRO 136 HA 0.02 0.17 0.40 -0.51 4.44 4.51 4nosC1 PRO 136 HB2 0.00 -0.07 0.05 -0.04 2.28 2.23 4nosC1 PRO 136 HB3 0.01 0.09 0.02 -0.04 2.02 2.10 4nosC1 PRO 136 HG2 0.01 0.04 0.14 -0.04 2.03 2.17 4nosC1 PRO 136 HG3 0.01 0.28 0.24 -0.04 2.03 2.52 4nosC1 PRO 136 HD2 0.00 0.00 0.25 -0.04 3.68 3.90 4nosC1 PRO 136 HD3 0.01 0.24 0.30 -0.04 3.65 4.16 4nosC1 ASP 137 H 0.00 0.15 -0.13 -0.55 8.40 7.87 4nosC1 ASP 137 HA -0.01 0.08 0.47 -0.75 4.63 4.42 4nosC1 ASP 137 HB2 -0.00 -0.02 0.07 -0.04 2.71 2.72 4nosC1 ASP 137 HB3 -0.00 0.04 -0.04 -0.04 2.70 2.66 4nosC1 GLU 138 H 0.00 0.13 -0.38 -0.55 8.60 7.81 4nosC1 GLU 138 HA -0.00 0.06 0.47 -0.75 4.29 4.06 4nosC1 GLU 138 HB2 -0.00 -0.07 0.06 -0.04 2.09 2.03 4nosC1 GLU 138 HB3 0.00 0.24 0.06 -0.04 1.99 2.25 4nosC1 GLU 138 HG2 0.00 0.03 -0.24 -0.04 2.34 2.10 4nosC1 GLU 138 HG3 -0.00 -0.04 0.04 -0.04 2.34 2.30 4nosC1 LEU 139 H 0.01 0.31 -0.27 -0.55 8.37 7.87 4nosC1 LEU 139 HA 0.03 0.04 0.58 -0.75 4.35 4.25 4nosC1 LEU 139 HB2 0.03 0.05 -0.03 -0.04 1.64 1.65 4nosC1 LEU 139 HB3 0.03 0.08 0.08 -0.04 1.64 1.78 4nosC1 LEU 139 HG 0.08 -0.09 -0.19 -0.04 1.64 1.39 4nosC1 LEU 139 HD13 0.14 -0.01 -0.00 -0.04 0.93 1.02 4nosC1 LEU 139 HD23 0.15 0.00 -0.05 -0.04 0.89 0.96 4nosC1 LEU 140 H -0.01 0.51 -0.09 -0.55 8.37 8.23 4nosC1 LEU 140 HA -0.08 -0.02 0.25 -0.75 4.35 3.75 4nosC1 LEU 140 HB2 -0.03 0.05 0.09 -0.04 1.64 1.71 4nosC1 LEU 140 HB3 -0.02 0.11 0.13 -0.04 1.64 1.82 4nosC1 LEU 140 HG -0.03 -0.02 -0.34 -0.04 1.64 1.21 4nosC1 LEU 140 HD13 -0.06 -0.03 0.00 -0.04 0.93 0.80 4nosC1 LEU 140 HD23 -0.02 -0.00 -0.03 -0.04 0.89 0.79 4nosC1 PRO 141 HA -0.01 0.02 0.55 -0.51 4.44 4.50 4nosC1 PRO 141 HB2 0.01 0.03 -0.05 -0.04 2.28 2.23 4nosC1 PRO 141 HB3 -0.00 -0.00 0.07 -0.04 2.02 2.05 4nosC1 PRO 141 HG2 0.01 0.15 -0.05 -0.04 2.03 2.09 4nosC1 PRO 141 HG3 -0.00 0.04 0.04 -0.04 2.03 2.07 4nosC1 PRO 141 HD2 -0.01 0.10 -0.35 -0.04 3.68 3.38 4nosC1 PRO 141 HD3 -0.01 0.08 0.08 -0.04 3.65 3.76 4nosC1 GLN 142 H 0.02 0.37 -0.31 -0.55 8.47 8.00 4nosC1 GLN 142 HA 0.07 0.04 0.38 -0.75 4.36 4.09 4nosC1 GLN 142 HB2 0.07 0.25 -0.25 -0.04 2.15 2.17 4nosC1 GLN 142 HB3 0.09 -0.20 -0.16 -0.04 2.02 1.71 4nosC1 GLN 142 HG2 0.04 -0.04 -0.03 -0.04 2.40 2.33 4nosC1 GLN 142 HG3 0.03 0.15 0.05 -0.04 2.39 2.59 4nosC1 GLN 142 HE21 0.01 -0.04 -0.04 -0.04 6.97 6.86 4nosC1 GLN 142 HE22 0.02 0.48 0.06 -0.04 7.69 8.21 4nosC1 ALA 143 H -0.01 0.60 -0.14 -0.55 8.40 8.31 4nosC1 ALA 143 HA 0.07 0.02 0.52 -0.75 4.34 4.19 4nosC1 ALA 143 HB3 -0.45 0.05 0.05 -0.04 1.41 1.02 4nosC1 ILE 144 H -0.02 0.59 -0.12 -0.55 8.25 8.15 4nosC1 ILE 144 HA 0.02 -0.03 0.37 -0.75 4.18 3.79 4nosC1 ILE 144 HB -0.00 0.15 0.12 -0.04 1.89 2.12 4nosC1 ILE 144 HG12 -0.03 -0.08 0.03 -0.04 1.49 1.36 4nosC1 ILE 144 HG13 -0.05 0.21 0.08 -0.04 1.21 1.41 4nosC1 ILE 144 HG23 -0.00 -0.02 -0.08 -0.04 0.93 0.79 4nosC1 ILE 144 HD13 -0.03 -0.02 -0.05 -0.04 0.88 0.74 4nosC1 GLU 145 H 0.06 0.43 -0.31 -0.55 8.60 8.23 4nosC1 GLU 145 HA 0.05 0.02 0.43 -0.75 4.29 4.03 4nosC1 GLU 145 HB2 0.06 0.13 0.16 -0.04 2.09 2.40 4nosC1 GLU 145 HB3 0.11 0.03 0.12 -0.04 1.99 2.20 4nosC1 GLU 145 HG2 0.04 -0.02 0.04 -0.04 2.34 2.35 4nosC1 GLU 145 HG3 0.05 0.03 0.01 -0.04 2.34 2.39 4nosC1 PHE 146 H 0.24 0.64 -0.07 -0.55 8.34 8.60 4nosC1 PHE 146 HA 0.12 0.04 0.32 -0.75 4.62 4.35 4nosC1 PHE 146 HB2 0.14 -0.13 0.18 -0.04 3.15 3.30 4nosC1 PHE 146 HB3 0.14 0.18 0.24 -0.04 3.06 3.58 4nosC1 PHE 146 HD2 0.18 0.04 -0.05 -0.04 7.28 7.41 4nosC1 PHE 146 HE2 0.17 -0.03 -0.05 -0.04 7.38 7.43 4nosC1 PHE 146 HZ 0.16 0.03 0.02 -0.04 7.32 7.50 4nosC1 VAL 147 H 0.17 0.64 -0.09 -0.55 8.24 8.41 4nosC1 VAL 147 HA -0.08 -0.06 0.33 -0.75 4.13 3.57 4nosC1 VAL 147 HB 0.10 0.11 0.09 -0.04 2.12 2.38 4nosC1 VAL 147 HG13 0.24 -0.03 -0.17 -0.04 0.97 0.96 4nosC1 VAL 147 HG23 0.18 0.04 -0.01 -0.04 0.95 1.12 4nosC1 ASN 148 H 0.04 0.61 -0.24 -0.55 8.53 8.40 4nosC1 ASN 148 HA 0.13 -0.07 0.45 -0.75 4.76 4.51 4nosC1 ASN 148 HB2 0.03 0.22 0.25 -0.04 2.88 3.34 4nosC1 ASN 148 HB3 0.05 -0.06 0.06 -0.04 2.79 2.80 4nosC1 ASN 148 HD21 0.01 -0.09 -0.03 -0.04 7.03 6.87 4nosC1 ASN 148 HD22 0.03 0.00 -0.02 -0.04 7.74 7.71 4nosC1 GLN 149 H -0.10 0.69 -0.06 -0.55 8.47 8.45 4nosC1 GLN 149 HA -0.08 0.01 0.30 -0.75 4.36 3.83 4nosC1 GLN 149 HB2 0.01 0.03 0.09 -0.04 2.15 2.24 4nosC1 GLN 149 HB3 -0.12 0.09 0.21 -0.04 2.02 2.16 4nosC1 GLN 149 HG2 0.28 -0.05 -0.10 -0.04 2.40 2.49 4nosC1 GLN 149 HG3 0.07 -0.02 0.05 -0.04 2.39 2.44 4nosC1 GLN 149 HE21 0.16 0.38 0.10 -0.04 6.97 7.57 4nosC1 GLN 149 HE22 0.12 -0.06 -0.04 -0.04 7.69 7.67 4nosC1 TYR 150 H -0.51 0.60 -0.10 -0.55 8.29 7.73 4nosC1 TYR 150 HA -1.66 0.05 0.41 -0.75 4.56 2.60 4nosC1 TYR 150 HB2 -1.34 -0.02 0.05 -0.04 3.06 1.71 4nosC1 TYR 150 HB3 -0.82 0.08 0.14 -0.04 2.98 2.34 4nosC1 TYR 150 HD2 -0.98 0.06 -0.06 -0.04 7.15 6.13 4nosC1 TYR 150 HE2 -0.43 0.02 -0.15 -0.04 6.85 6.25 4nosC1 TYR 151 H -0.37 0.75 0.02 -0.55 8.29 8.14 4nosC1 TYR 151 HA -1.61 0.01 0.55 -0.75 4.56 2.76 4nosC1 TYR 151 HB2 -1.24 0.16 0.14 -0.04 3.06 2.08 4nosC1 TYR 151 HB3 -0.85 -0.12 0.03 -0.04 2.98 2.01 4nosC1 TYR 151 HD2 -0.10 0.11 0.06 -0.04 7.15 7.18 4nosC1 TYR 151 HE2 0.19 -0.06 -0.04 -0.04 6.85 6.90 4nosC1 GLY 152 H -0.41 0.54 -0.33 -0.55 8.43 7.69 4nosC1 GLY 152 HA2 -0.18 -0.03 0.45 -0.51 4.01 3.74 4nosC1 GLY 152 HA3 -0.17 0.08 0.28 -0.51 4.01 3.69 4nosC1 SER 153 H -0.58 0.27 -0.44 -0.55 8.46 7.16 4nosC1 SER 153 HA -0.07 0.10 0.42 -0.75 4.49 4.19 4nosC1 SER 153 HB2 0.14 -0.08 0.10 -0.04 3.95 4.06 4nosC1 SER 153 HB3 -0.07 0.10 0.12 -0.04 3.93 4.05 4nosC1 PHE 154 H -0.49 0.24 -0.48 -0.55 8.34 7.06 4nosC1 PHE 154 HA -0.14 -0.00 0.40 -0.75 4.62 4.13 4nosC1 PHE 154 HB2 -0.11 0.01 -0.18 -0.04 3.15 2.83 4nosC1 PHE 154 HB3 -0.10 -0.05 -0.09 -0.04 3.06 2.78 4nosC1 PHE 154 HD2 -0.19 -0.06 -0.01 -0.04 7.28 6.98 4nosC1 PHE 154 HE2 -0.51 -0.06 -0.00 -0.04 7.38 6.76 4nosC1 PHE 154 HZ -0.80 -0.09 -0.05 -0.04 7.32 6.34 4nosC1 LYS 155 H 0.07 0.12 0.19 -0.55 8.42 8.24 4nosC1 LYS 155 HA 0.04 0.17 0.45 -0.75 4.32 4.22 4nosC1 LYS 155 HB2 0.01 -0.06 0.08 -0.04 1.87 1.87 4nosC1 LYS 155 HB3 0.02 0.00 0.14 -0.04 1.79 1.90 4nosC1 LYS 155 HG2 0.03 -0.02 0.15 -0.04 1.46 1.58 4nosC1 LYS 155 HG3 0.01 -0.03 0.07 -0.04 1.46 1.47 4nosC1 LYS 155 HD2 0.03 0.07 -0.03 -0.04 1.69 1.73 4nosC1 LYS 155 HD3 0.05 0.08 0.03 -0.04 1.68 1.80 4nosC1 LYS 155 HE2 0.03 0.05 0.02 -0.04 2.99 3.04 4nosC1 LYS 155 HE3 0.02 -0.04 0.03 -0.04 2.99 2.96 4nosC1 GLU 156 H 0.06 0.01 -0.31 -0.55 8.60 7.81 4nosC1 GLU 156 HA 0.02 0.13 0.61 -0.75 4.29 4.30 4nosC1 GLU 156 HB2 -0.03 0.02 0.04 -0.04 2.09 2.08 4nosC1 GLU 156 HB3 -0.02 0.02 -0.00 -0.04 1.99 1.94 4nosC1 GLU 156 HG2 -0.17 0.00 0.13 -0.04 2.34 2.26 4nosC1 GLU 156 HG3 -0.14 0.02 0.05 -0.04 2.34 2.23 4nosC1 ALA 157 H 0.06 0.21 0.01 -0.55 8.40 8.14 4nosC1 ALA 157 HA 0.18 0.15 0.44 -0.75 4.34 4.36 4nosC1 ALA 157 HB3 0.06 0.01 0.07 -0.04 1.41 1.51 4nosC1 LYS 158 H 0.29 0.26 0.08 -0.55 8.42 8.50 4nosC1 LYS 158 HA 0.11 0.16 0.86 -0.75 4.32 4.70 4nosC1 LYS 158 HB2 0.43 -0.00 0.22 -0.04 1.87 2.48 4nosC1 LYS 158 HB3 0.16 -0.10 0.15 -0.04 1.79 1.96 4nosC1 LYS 158 HG2 0.05 0.05 -0.21 -0.04 1.46 1.30 4nosC1 LYS 158 HG3 0.21 0.26 -0.12 -0.04 1.46 1.77 4nosC1 LYS 158 HD2 -0.12 -0.04 0.04 -0.04 1.69 1.52 4nosC1 LYS 158 HD3 -0.06 -0.06 0.01 -0.04 1.68 1.53 4nosC1 LYS 158 HE2 -0.83 0.08 0.05 -0.04 2.99 2.25 4nosC1 LYS 158 HE3 -0.49 -0.05 0.02 -0.04 2.99 2.42 4nosC1 ILE 159 H 0.08 0.29 -0.09 -0.55 8.25 7.98 4nosC1 ILE 159 HA 0.11 0.10 0.37 -0.75 4.18 4.00 4nosC1 ILE 159 HB 0.00 0.03 0.02 -0.04 1.89 1.89 4nosC1 ILE 159 HG12 0.02 -0.09 0.03 -0.04 1.49 1.40 4nosC1 ILE 159 HG13 0.01 0.07 0.01 -0.04 1.21 1.26 4nosC1 ILE 159 HG23 0.05 0.03 0.01 -0.04 0.93 0.99 4nosC1 ILE 159 HD13 0.04 -0.00 0.04 -0.04 0.88 0.92 4nosC1 GLU 160 H 0.04 0.13 -0.15 -0.55 8.60 8.07 4nosC1 GLU 160 HA -0.01 0.10 0.44 -0.75 4.29 4.06 4nosC1 GLU 160 HB2 0.03 -0.02 0.11 -0.04 2.09 2.16 4nosC1 GLU 160 HB3 0.01 0.05 0.04 -0.04 1.99 2.05 4nosC1 GLU 160 HG2 0.01 0.06 0.03 -0.04 2.34 2.40 4nosC1 GLU 160 HG3 0.00 0.01 0.03 -0.04 2.34 2.35 4nosC1 GLU 161 H 0.07 0.13 -0.10 -0.55 8.60 8.15 4nosC1 GLU 161 HA 0.04 0.03 0.35 -0.75 4.29 3.95 4nosC1 GLU 161 HB2 0.30 0.16 0.10 -0.04 2.09 2.61 4nosC1 GLU 161 HB3 0.28 -0.00 0.07 -0.04 1.99 2.30 4nosC1 GLU 161 HG2 0.10 -0.01 0.05 -0.04 2.34 2.43 4nosC1 GLU 161 HG3 0.11 -0.06 0.08 -0.04 2.34 2.42 4nosC1 HIS 162 H -0.07 0.30 -0.46 -0.55 8.41 7.64 4nosC1 HIS 162 HA -1.53 0.04 0.45 -0.75 4.63 2.84 4nosC1 HIS 162 HB2 -0.29 0.04 0.01 -0.04 3.26 2.98 4nosC1 HIS 162 HB3 -0.20 0.11 0.19 -0.04 3.20 3.26 4nosC1 HIS 162 HD2 -0.35 -0.09 -0.11 -0.04 6.97 6.38 4nosC1 HIS 162 HE1 -0.05 0.06 -0.02 -0.04 7.75 7.69 4nosC1 LEU 163 H -0.12 0.61 0.13 -0.55 8.37 8.44 4nosC1 LEU 163 HA -0.21 0.04 0.47 -0.75 4.35 3.89 4nosC1 LEU 163 HB2 -0.08 0.08 0.23 -0.04 1.64 1.83 4nosC1 LEU 163 HB3 -0.08 -0.03 -0.00 -0.04 1.64 1.48 4nosC1 LEU 163 HG -0.14 0.07 0.11 -0.04 1.64 1.64 4nosC1 LEU 163 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.83 4nosC1 LEU 163 HD23 -0.16 -0.00 0.05 -0.04 0.89 0.74 4nosC1 ALA 164 H -0.07 0.50 -0.19 -0.55 8.40 8.10 4nosC1 ALA 164 HA -0.02 -0.01 0.38 -0.75 4.34 3.93 4nosC1 ALA 164 HB3 -0.00 0.03 0.09 -0.04 1.41 1.49 4nosC1 ARG 165 H -0.08 0.60 -0.10 -0.55 8.46 8.33 4nosC1 ARG 165 HA 0.05 -0.02 0.49 -0.75 4.34 4.10 4nosC1 ARG 165 HB2 0.16 0.00 0.16 -0.04 1.90 2.19 4nosC1 ARG 165 HB3 -0.01 0.15 0.17 -0.04 1.80 2.07 4nosC1 ARG 165 HG2 0.34 -0.01 0.03 -0.04 1.67 1.99 4nosC1 ARG 165 HG3 0.15 -0.00 -0.06 -0.04 1.67 1.72 4nosC1 ARG 165 HD2 0.11 -0.06 0.13 -0.04 3.22 3.37 4nosC1 ARG 165 HD3 0.16 -0.01 0.06 -0.04 3.22 3.39 4nosC1 VAL 166 H -0.04 0.48 -0.29 -0.55 8.24 7.83 4nosC1 VAL 166 HA -0.00 0.03 0.47 -0.75 4.13 3.87 4nosC1 VAL 166 HB -0.08 0.15 0.23 -0.04 2.12 2.38 4nosC1 VAL 166 HG13 -0.05 -0.02 -0.05 -0.04 0.97 0.81 4nosC1 VAL 166 HG23 -0.03 0.05 0.02 -0.04 0.95 0.95 4nosC1 GLU 167 H -0.04 0.64 0.07 -0.55 8.60 8.73 4nosC1 GLU 167 HA -0.03 0.01 0.39 -0.75 4.29 3.91 4nosC1 GLU 167 HB2 -0.03 0.10 0.19 -0.04 2.09 2.31 4nosC1 GLU 167 HB3 -0.01 -0.02 0.03 -0.04 1.99 1.95 4nosC1 GLU 167 HG2 -0.02 -0.02 0.01 -0.04 2.34 2.27 4nosC1 GLU 167 HG3 -0.02 -0.02 0.06 -0.04 2.34 2.31 4nosC1 ALA 168 H 0.00 0.66 -0.13 -0.55 8.40 8.39 4nosC1 ALA 168 HA 0.01 -0.00 0.37 -0.75 4.34 3.96 4nosC1 ALA 168 HB3 0.04 0.00 0.11 -0.04 1.41 1.52 4nosC1 VAL 169 H 0.01 0.71 -0.04 -0.55 8.24 8.38 4nosC1 VAL 169 HA 0.02 -0.03 0.39 -0.75 4.13 3.77 4nosC1 VAL 169 HB -0.05 0.14 0.19 -0.04 2.12 2.36 4nosC1 VAL 169 HG13 -0.41 -0.02 -0.17 -0.04 0.97 0.33 4nosC1 VAL 169 HG23 0.09 -0.01 0.07 -0.04 0.95 1.05 4nosC1 THR 170 H -0.03 0.52 -0.38 -0.55 8.28 7.84 4nosC1 THR 170 HA -0.05 0.01 0.46 -0.75 4.39 4.06 4nosC1 THR 170 HB -0.02 0.15 0.23 -0.04 4.32 4.64 4nosC1 THR 170 HG23 -0.02 -0.03 -0.09 -0.04 1.22 1.04 4nosC1 LYS 171 H -0.01 0.65 0.09 -0.55 8.42 8.60 4nosC1 LYS 171 HA -0.00 -0.01 0.35 -0.75 4.32 3.91 4nosC1 LYS 171 HB2 0.00 0.01 0.16 -0.04 1.87 2.01 4nosC1 LYS 171 HB3 0.01 0.09 0.18 -0.04 1.79 2.02 4nosC1 LYS 171 HG2 0.01 -0.03 0.02 -0.04 1.46 1.42 4nosC1 LYS 171 HG3 0.01 -0.00 -0.07 -0.04 1.46 1.36 4nosC1 LYS 171 HD2 0.00 -0.03 0.15 -0.04 1.69 1.77 4nosC1 LYS 171 HD3 0.00 -0.01 0.05 -0.04 1.68 1.68 4nosC1 LYS 171 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 4nosC1 LYS 171 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 4nosC1 GLU 172 H 0.02 0.52 -0.35 -0.55 8.60 8.23 4nosC1 GLU 172 HA 0.03 -0.01 0.41 -0.75 4.29 3.96 4nosC1 GLU 172 HB2 0.05 -0.02 0.09 -0.04 2.09 2.17 4nosC1 GLU 172 HB3 0.07 0.08 0.16 -0.04 1.99 2.26 4nosC1 GLU 172 HG2 0.12 0.28 -0.02 -0.04 2.34 2.67 4nosC1 GLU 172 HG3 0.06 -0.06 0.08 -0.04 2.34 2.39 4nosC1 ILE 173 H 0.00 0.53 -0.03 -0.55 8.25 8.20 4nosC1 ILE 173 HA 0.05 0.21 0.63 -0.75 4.18 4.33 4nosC1 ILE 173 HB -0.02 0.05 0.12 -0.04 1.89 1.99 4nosC1 ILE 173 HG12 0.07 -0.09 -0.32 -0.04 1.49 1.10 4nosC1 ILE 173 HG13 -0.06 0.28 0.06 -0.04 1.21 1.45 4nosC1 ILE 173 HG23 0.01 0.00 -0.21 -0.04 0.93 0.69 4nosC1 ILE 173 HD13 -0.24 -0.04 -0.13 -0.04 0.88 0.42 4nosC1 GLU 174 H 0.00 0.62 -0.04 -0.55 8.60 8.63 4nosC1 GLU 174 HA 0.00 -0.02 0.39 -0.75 4.29 3.90 4nosC1 GLU 174 HB2 -0.01 0.05 0.08 -0.04 2.09 2.17 4nosC1 GLU 174 HB3 0.00 0.15 0.20 -0.04 1.99 2.30 4nosC1 GLU 174 HG2 0.00 0.02 -0.12 -0.04 2.34 2.19 4nosC1 GLU 174 HG3 -0.00 -0.06 0.02 -0.04 2.34 2.26 4nosC1 THR 175 H 0.01 0.51 -0.12 -0.55 8.28 8.13 4nosC1 THR 175 HA 0.01 0.03 0.51 -0.75 4.39 4.18 4nosC1 THR 175 HB 0.02 0.03 0.19 -0.04 4.32 4.51 4nosC1 THR 175 HG23 0.01 -0.03 -0.12 -0.04 1.22 1.05 4nosC1 THR 176 H 0.03 0.61 0.01 -0.55 8.28 8.38 4nosC1 THR 176 HA 0.02 0.20 1.03 -0.75 4.39 4.88 4nosC1 THR 176 HB 0.02 -0.06 0.12 -0.04 4.32 4.37 4nosC1 THR 176 HG23 0.02 -0.02 -0.05 -0.04 1.22 1.13 4nosC1 GLY 177 H 0.02 0.55 -0.02 -0.55 8.43 8.44 4nosC1 GLY 177 HA2 0.02 0.04 0.43 -0.51 4.01 3.98 4nosC1 GLY 177 HA3 0.02 0.03 0.55 -0.51 4.01 4.11 4nosC1 THR 178 H 0.06 0.24 -0.21 -0.55 8.28 7.81 4nosC1 THR 178 HA 0.12 0.11 0.54 -0.75 4.39 4.40 4nosC1 THR 178 HB 0.02 0.14 -0.09 -0.04 4.32 4.34 4nosC1 THR 178 HG23 0.01 0.02 -0.21 -0.04 1.22 0.99 4nosC1 TYR 179 H 0.07 0.33 0.19 -0.55 8.29 8.33 4nosC1 TYR 179 HA 0.00 0.12 0.42 -0.75 4.56 4.34 4nosC1 TYR 179 HB2 0.02 -0.06 0.14 -0.04 3.06 3.11 4nosC1 TYR 179 HB3 0.01 0.13 -0.19 -0.04 2.98 2.89 4nosC1 TYR 179 HD2 0.01 -0.01 -0.12 -0.04 7.15 6.99 4nosC1 TYR 179 HE2 0.02 0.06 -0.04 -0.04 6.85 6.85 4nosC1 GLN 180 H 0.10 0.20 0.13 -0.55 8.47 8.35 4nosC1 GLN 180 HA -0.17 0.16 0.85 -0.75 4.36 4.45 4nosC1 GLN 180 HB2 -0.00 -0.01 -0.06 -0.04 2.15 2.04 4nosC1 GLN 180 HB3 0.01 -0.02 -0.04 -0.04 2.02 1.93 4nosC1 GLN 180 HG2 -0.01 -0.02 -0.04 -0.04 2.40 2.29 4nosC1 GLN 180 HG3 -0.02 0.02 0.04 -0.04 2.39 2.38 4nosC1 GLN 180 HE21 -0.05 0.05 0.04 -0.04 6.97 6.97 4nosC1 GLN 180 HE22 -0.01 -0.05 0.04 -0.04 7.69 7.63 4nosC1 LEU 181 H -0.09 0.15 0.09 -0.55 8.37 7.98 4nosC1 LEU 181 HA 0.01 0.09 0.56 -0.75 4.35 4.25 4nosC1 LEU 181 HB2 -0.04 -0.00 0.07 -0.04 1.64 1.63 4nosC1 LEU 181 HB3 -0.04 0.11 -0.11 -0.04 1.64 1.56 4nosC1 LEU 181 HG -0.17 -0.02 -0.22 -0.04 1.64 1.19 4nosC1 LEU 181 HD13 -0.28 0.00 -0.15 -0.04 0.93 0.46 4nosC1 LEU 181 HD23 -0.10 0.01 -0.11 -0.04 0.89 0.65 4nosC1 THR 182 H 0.01 0.10 0.17 -0.55 8.28 8.01 4nosC1 THR 182 HA 0.02 0.19 0.60 -0.75 4.39 4.44 4nosC1 THR 182 HB 0.02 -0.01 0.19 -0.04 4.32 4.48 4nosC1 THR 182 HG23 0.05 0.05 0.08 -0.04 1.22 1.35 4nosC1 GLY 183 H 0.01 0.20 0.16 -0.55 8.43 8.26 4nosC1 GLY 183 HA2 -0.02 0.14 0.42 -0.51 4.01 4.05 4nosC1 GLY 183 HA3 -0.00 0.12 0.34 -0.51 4.01 3.95 4nosC1 ASP 184 H 0.03 0.10 -0.08 -0.55 8.40 7.91 4nosC1 ASP 184 HA 0.09 0.16 0.52 -0.75 4.63 4.65 4nosC1 ASP 184 HB2 0.08 0.01 0.10 -0.04 2.71 2.86 4nosC1 ASP 184 HB3 0.15 0.00 -0.01 -0.04 2.70 2.80 4nosC1 GLU 185 H -0.02 0.04 -0.49 -0.55 8.60 7.59 4nosC1 GLU 185 HA 0.01 0.12 0.46 -0.75 4.29 4.12 4nosC1 GLU 185 HB2 -0.04 0.09 0.12 -0.04 2.09 2.22 4nosC1 GLU 185 HB3 0.13 0.06 -0.03 -0.04 1.99 2.12 4nosC1 GLU 185 HG2 -1.19 0.09 0.00 -0.04 2.34 1.21 4nosC1 GLU 185 HG3 -0.60 -0.08 -0.01 -0.04 2.34 1.61 4nosC1 LEU 186 H 0.01 0.31 -0.26 -0.55 8.37 7.89 4nosC1 LEU 186 HA -0.08 0.07 0.40 -0.75 4.35 3.99 4nosC1 LEU 186 HB2 -0.09 0.01 0.02 -0.04 1.64 1.54 4nosC1 LEU 186 HB3 -0.06 0.11 0.10 -0.04 1.64 1.75 4nosC1 LEU 186 HG -0.16 0.02 -0.23 -0.04 1.64 1.23 4nosC1 LEU 186 HD13 -0.43 0.00 -0.03 -0.04 0.93 0.43 4nosC1 LEU 186 HD23 -0.15 -0.00 -0.06 -0.04 0.89 0.64 4nosC1 ILE 187 H 0.06 0.34 -0.27 -0.55 8.25 7.83 4nosC1 ILE 187 HA 0.01 0.05 0.36 -0.75 4.18 3.85 4nosC1 ILE 187 HB 0.12 0.05 0.19 -0.04 1.89 2.21 4nosC1 ILE 187 HG12 -0.04 -0.00 0.05 -0.04 1.49 1.47 4nosC1 ILE 187 HG13 -0.01 0.06 0.09 -0.04 1.21 1.31 4nosC1 ILE 187 HG23 0.07 0.01 -0.12 -0.04 0.93 0.85 4nosC1 ILE 187 HD13 0.00 -0.03 0.01 -0.04 0.88 0.82 4nosC1 PHE 188 H 0.35 0.53 -0.08 -0.55 8.34 8.59 4nosC1 PHE 188 HA 0.19 0.04 0.38 -0.75 4.62 4.48 4nosC1 PHE 188 HB2 0.31 0.02 0.13 -0.04 3.15 3.57 4nosC1 PHE 188 HB3 0.36 -0.01 0.18 -0.04 3.06 3.56 4nosC1 PHE 188 HD2 0.28 -0.00 -0.05 -0.04 7.28 7.46 4nosC1 PHE 188 HE2 -0.02 0.02 -0.06 -0.04 7.38 7.28 4nosC1 PHE 188 HZ -0.07 0.08 -0.16 -0.04 7.32 7.13 4nosC1 ALA 189 H 0.36 0.55 -0.29 -0.55 8.40 8.48 4nosC1 ALA 189 HA 0.06 0.01 0.33 -0.75 4.34 3.99 4nosC1 ALA 189 HB3 0.06 0.00 0.06 -0.04 1.41 1.49 4nosC1 THR 190 H -0.01 0.55 -0.22 -0.55 8.28 8.06 4nosC1 THR 190 HA -0.08 0.04 0.38 -0.75 4.39 3.98 4nosC1 THR 190 HB 0.01 -0.02 -0.13 -0.04 4.32 4.14 4nosC1 THR 190 HG23 -0.11 0.01 -0.06 -0.04 1.22 1.02 4nosC1 LYS 191 H 0.06 0.50 -0.11 -0.55 8.42 8.31 4nosC1 LYS 191 HA 0.40 0.09 0.54 -0.75 4.32 4.59 4nosC1 LYS 191 HB2 0.17 0.06 0.15 -0.04 1.87 2.21 4nosC1 LYS 191 HB3 0.52 0.01 -0.02 -0.04 1.79 2.26 4nosC1 LYS 191 HG2 0.25 0.08 0.00 -0.04 1.46 1.75 4nosC1 LYS 191 HG3 0.12 -0.00 0.00 -0.04 1.46 1.54 4nosC1 LYS 191 HD2 0.09 -0.08 -0.08 -0.04 1.69 1.59 4nosC1 LYS 191 HD3 0.04 -0.02 0.03 -0.04 1.68 1.68 4nosC1 LYS 191 HE2 0.02 -0.06 -0.24 -0.04 2.99 2.66 4nosC1 LYS 191 HE3 0.02 0.03 -0.00 -0.04 2.99 3.00 4nosC1 GLN 192 H -0.16 0.67 -0.02 -0.55 8.47 8.41 4nosC1 GLN 192 HA -0.39 0.00 0.43 -0.75 4.36 3.65 4nosC1 GLN 192 HB2 -0.92 0.15 0.11 -0.04 2.15 1.45 4nosC1 GLN 192 HB3 -0.35 0.04 0.06 -0.04 2.02 1.73 4nosC1 GLN 192 HG2 -0.35 -0.01 -0.02 -0.04 2.40 1.98 4nosC1 GLN 192 HG3 -0.25 -0.00 -0.06 -0.04 2.39 2.03 4nosC1 GLN 192 HE21 -0.20 0.00 -0.03 -0.04 6.97 6.70 4nosC1 GLN 192 HE22 -0.14 0.02 -0.03 -0.04 7.69 7.49 4nosC1 ALA 193 H -0.15 0.51 -0.33 -0.55 8.40 7.88 4nosC1 ALA 193 HA -0.23 0.25 0.09 -0.75 4.34 3.70 4nosC1 ALA 193 HB3 -0.66 -0.01 -0.15 -0.04 1.41 0.54 4nosC1 TRP 194 H 0.16 0.19 -0.87 -0.55 7.97 6.90 4nosC1 TRP 194 HA -0.04 -0.01 0.47 -0.75 4.62 4.29 4nosC1 TRP 194 HB2 -0.02 0.10 0.12 -0.04 3.23 3.40 4nosC1 TRP 194 HB3 0.02 0.28 0.20 -0.04 3.23 3.69 4nosC1 TRP 194 HD1 -0.17 0.00 0.06 -0.04 7.22 7.07 4nosC1 TRP 194 HE1 -0.17 -0.16 -0.19 -0.04 10.20 9.63 4nosC1 TRP 194 HE3 0.01 0.14 -0.08 -0.04 7.59 7.62 4nosC1 TRP 194 HZ2 -0.25 -0.09 -0.20 -0.04 7.44 6.85 4nosC1 TRP 194 HZ3 -0.10 0.23 -0.39 -0.04 7.13 6.84 4nosC1 TRP 194 HH2 -0.26 -0.00 -0.14 -0.04 7.19 6.75 4nosC1 ARG 195 H -0.20 0.49 0.02 -0.55 8.46 8.23 4nosC1 ARG 195 HA -0.49 -0.03 0.37 -0.75 4.34 3.43 4nosC1 ARG 195 HB2 -0.51 0.14 0.11 -0.04 1.90 1.60 4nosC1 ARG 195 HB3 -0.57 -0.05 -0.04 -0.04 1.80 1.10 4nosC1 ARG 195 HG2 -2.31 -0.05 0.02 -0.04 1.67 -0.71 4nosC1 ARG 195 HG3 -1.26 0.13 0.04 -0.04 1.67 0.54 4nosC1 ARG 195 HD2 -2.51 -0.03 -0.07 -0.04 3.22 0.57 4nosC1 ARG 195 HD3 -0.87 0.03 0.01 -0.04 3.22 2.34 4nosC1 ASN 196 H -0.18 0.48 -0.35 -0.55 8.53 7.94 4nosC1 ASN 196 HA -0.12 0.02 0.45 -0.75 4.76 4.35 4nosC1 ASN 196 HB2 -0.08 0.19 0.08 -0.04 2.88 3.02 4nosC1 ASN 196 HB3 0.07 -0.20 0.16 -0.04 2.79 2.77 4nosC1 ASN 196 HD21 -0.05 -0.06 -0.24 -0.04 7.03 6.64 4nosC1 ASN 196 HD22 -0.00 0.30 -0.22 -0.04 7.74 7.77 4nosC1 ALA 197 H -0.06 0.51 -0.82 -0.55 8.40 7.49 4nosC1 ALA 197 HA -0.30 0.11 0.80 -0.75 4.34 4.19 4nosC1 ALA 197 HB3 -0.02 0.02 0.14 -0.04 1.41 1.51 4nosC1 PRO 198 HA 0.00 0.38 -0.02 -0.51 4.44 4.29 4nosC1 PRO 198 HB2 -0.03 -0.05 -0.11 -0.04 2.28 2.05 4nosC1 PRO 198 HB3 -0.04 -0.13 -0.28 -0.04 2.02 1.53 4nosC1 PRO 198 HG2 0.10 -0.03 0.03 -0.04 2.03 2.09 4nosC1 PRO 198 HG3 -0.01 0.18 0.04 -0.04 2.03 2.20 4nosC1 PRO 198 HD2 -0.08 -0.02 0.18 -0.04 3.68 3.72 4nosC1 PRO 198 HD3 -0.05 0.49 0.53 -0.04 3.65 4.57 4nosC1 ARG 199 H -0.12 0.18 -0.26 -0.55 8.46 7.70 4nosC1 ARG 199 HA 0.07 0.10 0.81 -0.75 4.34 4.57 4nosC1 ARG 199 HB2 -0.30 0.06 -0.01 -0.04 1.90 1.60 4nosC1 ARG 199 HB3 -0.05 -0.02 0.14 -0.04 1.80 1.83 4nosC1 ARG 199 HG2 -0.29 -0.07 -0.05 -0.04 1.67 1.22 4nosC1 ARG 199 HG3 -0.30 0.00 -0.03 -0.04 1.67 1.30 4nosC1 ARG 199 HD2 -0.87 0.06 0.00 -0.04 3.22 2.37 4nosC1 ARG 199 HD3 -2.72 -0.02 0.01 -0.04 3.22 0.45 4nosC1 CYS 200 H 0.04 0.59 -0.28 -0.55 8.50 8.29 4nosC1 CYS 200 HA 0.11 0.08 0.89 -0.75 4.58 4.91 4nosC1 CYS 200 HB2 0.08 0.01 -0.03 -0.04 2.97 2.99 4nosC1 CYS 200 HB3 0.14 0.28 0.13 -0.04 2.97 3.48 4nosC1 ILE 201 H 0.06 0.18 0.13 -0.55 8.25 8.07 4nosC1 ILE 201 HA -0.02 0.19 0.49 -0.75 4.18 4.08 4nosC1 ILE 201 HB -0.08 0.13 0.07 -0.04 1.89 1.97 4nosC1 ILE 201 HG12 0.10 -0.04 -0.06 -0.04 1.49 1.44 4nosC1 ILE 201 HG13 -0.23 0.03 0.07 -0.04 1.21 1.04 4nosC1 ILE 201 HG23 0.05 -0.02 -0.04 -0.04 0.93 0.87 4nosC1 ILE 201 HD13 -0.05 0.07 0.04 -0.04 0.88 0.90 4nosC1 GLY 202 H 0.11 0.10 -0.19 -0.55 8.43 7.90 4nosC1 GLY 202 HA2 0.07 0.11 0.42 -0.51 4.01 4.10 4nosC1 GLY 202 HA3 0.07 0.05 0.30 -0.51 4.01 3.93 4nosC1 ARG 203 H -0.07 0.32 -0.56 -0.55 8.46 7.60 4nosC1 ARG 203 HA -0.96 0.04 0.11 -0.75 4.34 2.78 4nosC1 ARG 203 HB2 -0.68 0.06 0.02 -0.04 1.90 1.27 4nosC1 ARG 203 HB3 -1.59 -0.00 0.04 -0.04 1.80 0.20 4nosC1 ARG 203 HG2 -0.66 -0.01 -0.11 -0.04 1.67 0.85 4nosC1 ARG 203 HG3 -0.08 -0.10 -0.01 -0.04 1.67 1.44 4nosC1 ARG 203 HD2 -0.11 -0.05 0.13 -0.04 3.22 3.15 4nosC1 ARG 203 HD3 -0.06 0.13 0.12 -0.04 3.22 3.36 4nosC1 ILE 204 H -0.25 0.14 -0.50 -0.55 8.25 7.10 4nosC1 ILE 204 HA -0.10 0.09 0.44 -0.75 4.18 3.85 4nosC1 ILE 204 HB 0.01 0.01 -0.01 -0.04 1.89 1.86 4nosC1 ILE 204 HG12 0.01 0.01 0.05 -0.04 1.49 1.52 4nosC1 ILE 204 HG13 0.11 -0.00 0.07 -0.04 1.21 1.34 4nosC1 ILE 204 HG23 0.03 -0.00 -0.11 -0.04 0.93 0.81 4nosC1 ILE 204 HD13 0.06 0.03 0.04 -0.04 0.88 0.96 4nosC1 GLN 205 H -0.32 0.55 -0.14 -0.55 8.47 8.02 4nosC1 GLN 205 HA -0.15 0.05 0.37 -0.75 4.36 3.88 4nosC1 GLN 205 HB2 -0.06 0.19 0.10 -0.04 2.15 2.34 4nosC1 GLN 205 HB3 0.17 0.05 0.08 -0.04 2.02 2.28 4nosC1 GLN 205 HG2 0.11 -0.06 0.04 -0.04 2.40 2.44 4nosC1 GLN 205 HG3 -0.17 -0.03 0.04 -0.04 2.39 2.19 4nosC1 GLN 205 HE21 0.22 0.01 -0.02 -0.04 6.97 7.13 4nosC1 GLN 205 HE22 0.29 -0.05 -0.05 -0.04 7.69 7.83 4nosC1 TRP 206 H -0.77 0.43 -0.55 -0.55 7.97 6.54 4nosC1 TRP 206 HA -2.08 0.02 0.10 -0.75 4.62 1.90 4nosC1 TRP 206 HB2 -0.70 0.01 0.05 -0.04 3.23 2.55 4nosC1 TRP 206 HB3 -1.24 0.12 0.08 -0.04 3.23 2.15 4nosC1 TRP 206 HD1 -0.39 0.28 0.07 -0.04 7.22 7.14 4nosC1 TRP 206 HE1 -0.02 -0.04 -0.03 -0.04 10.20 10.08 4nosC1 TRP 206 HE3 -0.13 -0.00 -0.28 -0.04 7.59 7.13 4nosC1 TRP 206 HZ2 -0.05 -0.01 -0.04 -0.04 7.44 7.30 4nosC1 TRP 206 HZ3 -0.10 -0.04 -0.14 -0.04 7.13 6.80 4nosC1 TRP 206 HH2 -0.03 -0.00 -0.05 -0.04 7.19 7.06 4nosC1 SER 207 H -0.89 0.14 -0.43 -0.55 8.46 6.74 4nosC1 SER 207 HA -0.59 0.14 0.65 -0.75 4.49 3.93 4nosC1 SER 207 HB2 -0.60 -0.04 0.13 -0.04 3.95 3.40 4nosC1 SER 207 HB3 -1.57 -0.01 0.01 -0.04 3.93 2.33 4nosC1 ASN 208 H -0.10 0.89 -0.09 -0.55 8.53 8.68 4nosC1 ASN 208 HA -0.01 0.09 0.86 -0.75 4.76 4.95 4nosC1 ASN 208 HB2 0.11 0.03 0.26 -0.04 2.88 3.23 4nosC1 ASN 208 HB3 0.09 -0.04 0.09 -0.04 2.79 2.89 4nosC1 ASN 208 HD21 -0.02 -0.03 -0.02 -0.04 7.03 6.92 4nosC1 ASN 208 HD22 0.09 -0.02 0.04 -0.04 7.74 7.80 4nosC1 LEU 209 H 0.03 0.29 -0.06 -0.55 8.37 8.09 4nosC1 LEU 209 HA 0.04 0.21 0.64 -0.75 4.35 4.48 4nosC1 LEU 209 HB2 0.32 0.09 -0.36 -0.04 1.64 1.66 4nosC1 LEU 209 HB3 0.11 -0.03 -0.11 -0.04 1.64 1.57 4nosC1 LEU 209 HG -0.09 -0.01 -0.41 -0.04 1.64 1.08 4nosC1 LEU 209 HD13 -0.30 0.00 -0.31 -0.04 0.93 0.28 4nosC1 LEU 209 HD23 0.06 -0.01 -0.26 -0.04 0.89 0.64 4nosC1 GLN 210 H -0.09 0.79 0.35 -0.55 8.47 8.97 4nosC1 GLN 210 HA -0.27 0.06 0.77 -0.75 4.36 4.17 4nosC1 GLN 210 HB2 -0.22 0.02 0.05 -0.04 2.15 1.96 4nosC1 GLN 210 HB3 -0.37 0.07 0.17 -0.04 2.02 1.85 4nosC1 GLN 210 HG2 -2.06 0.01 -0.11 -0.04 2.40 0.20 4nosC1 GLN 210 HG3 -1.66 -0.06 -0.35 -0.04 2.39 0.27 4nosC1 GLN 210 HE21 -0.50 -0.01 -0.03 -0.04 6.97 6.38 4nosC1 GLN 210 HE22 -1.46 -0.03 -0.42 -0.04 7.69 5.74 4nosC1 VAL 211 H -0.33 0.17 0.14 -0.55 8.24 7.66 4nosC1 VAL 211 HA -0.29 0.28 1.03 -0.75 4.13 4.39 4nosC1 VAL 211 HB -0.15 -0.06 0.11 -0.04 2.12 1.98 4nosC1 VAL 211 HG13 -0.13 -0.02 -0.25 -0.04 0.97 0.53 4nosC1 VAL 211 HG23 -0.09 0.04 -0.18 -0.04 0.95 0.67 4nosC1 PHE 212 H -0.19 0.87 0.31 -0.55 8.34 8.77 4nosC1 PHE 212 HA -0.15 0.10 0.86 -0.75 4.62 4.67 4nosC1 PHE 212 HB2 -0.21 0.04 0.21 -0.04 3.15 3.14 4nosC1 PHE 212 HB3 -0.13 -0.01 -0.03 -0.04 3.06 2.85 4nosC1 PHE 212 HD2 -0.28 0.01 -0.11 -0.04 7.28 6.86 4nosC1 PHE 212 HE2 -0.33 0.00 -0.09 -0.04 7.38 6.92 4nosC1 PHE 212 HZ -0.55 0.02 -0.10 -0.04 7.32 6.65 4nosC1 ASP 213 H -0.00 0.20 0.08 -0.55 8.40 8.13 4nosC1 ASP 213 HA -0.11 0.09 0.63 -0.75 4.63 4.48 4nosC1 ASP 213 HB2 -0.05 0.04 0.11 -0.04 2.71 2.77 4nosC1 ASP 213 HB3 -0.01 0.00 0.20 -0.04 2.70 2.85 4nosC1 ALA 214 H -0.22 0.67 0.27 -0.55 8.40 8.58 4nosC1 ALA 214 HA -0.20 0.11 0.79 -0.75 4.34 4.29 4nosC1 ALA 214 HB3 -0.78 0.02 -0.06 -0.04 1.41 0.56 4nosC1 ARG 215 H -0.08 0.08 -0.08 -0.55 8.46 7.82 4nosC1 ARG 215 HA -0.07 0.13 0.09 -0.75 4.34 3.74 4nosC1 ARG 215 HB2 -0.02 -0.05 0.01 -0.04 1.90 1.79 4nosC1 ARG 215 HB3 0.00 0.01 0.08 -0.04 1.80 1.85 4nosC1 ARG 215 HG2 0.21 0.01 -0.00 -0.04 1.67 1.85 4nosC1 ARG 215 HG3 -0.02 0.19 -0.17 -0.04 1.67 1.63 4nosC1 ARG 215 HD2 -0.11 0.02 -0.01 -0.04 3.22 3.08 4nosC1 ARG 215 HD3 -0.04 -0.08 0.01 -0.04 3.22 3.07 4nosC1 SER 216 H -0.04 0.01 -0.52 -0.55 8.46 7.37 4nosC1 SER 216 HA -0.03 0.21 0.73 -0.75 4.49 4.64 4nosC1 SER 216 HB2 0.03 -0.02 -0.07 -0.04 3.95 3.85 4nosC1 SER 216 HB3 0.02 0.00 0.07 -0.04 3.93 3.98 4nosC1 CYS 217 H -0.06 0.38 -0.25 -0.55 8.50 8.02 4nosC1 CYS 217 HA 0.15 -0.07 0.35 -0.75 4.58 4.25 4nosC1 CYS 217 HB2 0.06 0.12 0.18 -0.04 2.97 3.29 4nosC1 CYS 217 HB3 -0.02 0.06 0.08 -0.04 2.97 3.04 4nosC1 SER 218 H 0.17 -0.13 0.21 -0.55 8.46 8.17 4nosC1 SER 218 HA 0.45 0.23 0.73 -0.75 4.49 5.15 4nosC1 SER 218 HB2 0.13 -0.01 0.12 -0.04 3.95 4.15 4nosC1 SER 218 HB3 0.11 0.18 -0.11 -0.04 3.93 4.06 4nosC1 THR 219 H 0.16 -0.01 0.18 -0.55 8.28 8.06 4nosC1 THR 219 HA 0.04 0.38 0.97 -0.75 4.39 5.03 4nosC1 THR 219 HB 0.05 -0.01 0.12 -0.04 4.32 4.44 4nosC1 THR 219 HG23 0.06 0.05 -0.16 -0.04 1.22 1.13 4nosC1 ALA 220 H 0.03 0.28 0.13 -0.55 8.40 8.29 4nosC1 ALA 220 HA -0.05 0.12 0.29 -0.75 4.34 3.94 4nosC1 ALA 220 HB3 0.20 0.06 0.08 -0.04 1.41 1.70 4nosC1 ARG 221 H 0.13 0.15 -0.03 -0.55 8.46 8.16 4nosC1 ARG 221 HA -0.48 0.11 0.34 -0.75 4.34 3.56 4nosC1 ARG 221 HB2 0.26 0.08 0.07 -0.04 1.90 2.26 4nosC1 ARG 221 HB3 0.09 -0.03 0.03 -0.04 1.80 1.85 4nosC1 ARG 221 HG2 0.10 0.04 -0.06 -0.04 1.67 1.71 4nosC1 ARG 221 HG3 0.07 -0.01 -0.29 -0.04 1.67 1.39 4nosC1 ARG 221 HD2 0.21 -0.03 0.04 -0.04 3.22 3.40 4nosC1 ARG 221 HD3 0.23 0.05 -0.00 -0.04 3.22 3.46 4nosC1 GLU 222 H 0.03 0.04 -0.47 -0.55 8.60 7.65 4nosC1 GLU 222 HA 0.00 0.12 0.49 -0.75 4.29 4.14 4nosC1 GLU 222 HB2 0.06 0.01 0.07 -0.04 2.09 2.18 4nosC1 GLU 222 HB3 0.12 -0.03 0.10 -0.04 1.99 2.15 4nosC1 GLU 222 HG2 0.23 0.04 -0.08 -0.04 2.34 2.49 4nosC1 GLU 222 HG3 0.01 0.05 0.04 -0.04 2.34 2.39 4nosC1 MET 223 H 0.00 0.40 -0.24 -0.55 8.47 8.09 4nosC1 MET 223 HA 0.29 0.05 0.43 -0.75 4.52 4.54 4nosC1 MET 223 HB2 -0.16 0.21 0.21 -0.04 2.15 2.37 4nosC1 MET 223 HB3 -0.33 -0.02 -0.05 -0.04 2.03 1.59 4nosC1 MET 223 HG2 -0.72 0.01 -0.03 -0.04 2.63 1.84 4nosC1 MET 223 HG3 -0.02 0.11 -0.01 -0.04 2.56 2.59 4nosC1 MET 223 HE3 -0.64 -0.01 -0.17 -0.04 2.10 1.23 4nosC1 PHE 224 H -0.16 0.55 -0.05 -0.55 8.34 8.12 4nosC1 PHE 224 HA -0.19 0.00 0.30 -0.75 4.62 3.98 4nosC1 PHE 224 HB2 -1.16 0.03 0.03 -0.04 3.15 2.00 4nosC1 PHE 224 HB3 -0.70 0.13 0.10 -0.04 3.06 2.55 4nosC1 PHE 224 HD2 -0.15 0.01 -0.06 -0.04 7.28 7.04 4nosC1 PHE 224 HE2 0.04 -0.01 -0.21 -0.04 7.38 7.16 4nosC1 PHE 224 HZ 0.06 0.18 -0.01 -0.04 7.32 7.51 4nosC1 GLU 225 H -0.07 0.34 -0.48 -0.55 8.60 7.84 4nosC1 GLU 225 HA -0.38 0.03 0.53 -0.75 4.29 3.72 4nosC1 GLU 225 HB2 -0.15 0.13 0.13 -0.04 2.09 2.16 4nosC1 GLU 225 HB3 -0.19 -0.03 0.02 -0.04 1.99 1.75 4nosC1 GLU 225 HG2 -0.10 -0.04 0.01 -0.04 2.34 2.17 4nosC1 GLU 225 HG3 -0.01 0.17 0.07 -0.04 2.34 2.53 4nosC1 HIS 226 H 0.08 0.46 -0.18 -0.55 8.41 8.23 4nosC1 HIS 226 HA -0.14 0.02 0.47 -0.75 4.63 4.23 4nosC1 HIS 226 HB2 0.22 0.24 0.25 -0.04 3.26 3.94 4nosC1 HIS 226 HB3 -0.00 -0.04 -0.07 -0.04 3.20 3.04 4nosC1 HIS 226 HD2 -0.11 -0.02 -0.04 -0.04 6.97 6.76 4nosC1 HIS 226 HE1 0.06 -0.09 -0.04 -0.04 7.75 7.64 4nosC1 ILE 227 H 0.06 0.47 -0.17 -0.55 8.25 8.05 4nosC1 ILE 227 HA 0.02 0.07 0.49 -0.75 4.18 4.00 4nosC1 ILE 227 HB 0.00 0.04 0.09 -0.04 1.89 1.98 4nosC1 ILE 227 HG12 0.15 0.01 -0.05 -0.04 1.49 1.55 4nosC1 ILE 227 HG13 0.35 0.06 -0.11 -0.04 1.21 1.48 4nosC1 ILE 227 HG23 -0.05 -0.01 -0.13 -0.04 0.93 0.70 4nosC1 ILE 227 HD13 0.12 -0.02 -0.17 -0.04 0.88 0.77 4nosC1 CYS 228 H -0.30 0.69 -0.04 -0.55 8.50 8.30 4nosC1 CYS 228 HA -0.17 -0.01 0.32 -0.75 4.58 3.96 4nosC1 CYS 228 HB2 -0.40 0.09 0.18 -0.04 2.97 2.80 4nosC1 CYS 228 HB3 -0.25 -0.03 -0.00 -0.04 2.97 2.65 4nosC1 ARG 229 H -0.18 0.45 -0.39 -0.55 8.46 7.78 4nosC1 ARG 229 HA -0.12 0.00 0.37 -0.75 4.34 3.84 4nosC1 ARG 229 HB2 -0.20 0.01 0.09 -0.04 1.90 1.76 4nosC1 ARG 229 HB3 -0.30 0.12 0.11 -0.04 1.80 1.68 4nosC1 ARG 229 HG2 -0.81 0.02 -0.25 -0.04 1.67 0.59 4nosC1 ARG 229 HG3 -0.19 -0.05 -0.02 -0.04 1.67 1.37 4nosC1 ARG 229 HD2 -0.17 -0.02 -0.04 -0.04 3.22 2.95 4nosC1 ARG 229 HD3 -0.12 -0.03 -0.02 -0.04 3.22 3.01 4nosC1 HIS 230 H -0.13 0.44 -0.33 -0.55 8.41 7.85 4nosC1 HIS 230 HA -0.10 -0.01 0.38 -0.75 4.63 4.14 4nosC1 HIS 230 HB2 -0.18 0.05 0.07 -0.04 3.26 3.16 4nosC1 HIS 230 HB3 -0.07 0.12 0.21 -0.04 3.20 3.42 4nosC1 HIS 230 HD2 0.13 -0.08 -0.57 -0.04 6.97 6.41 4nosC1 HIS 230 HE1 0.00 0.21 -0.39 -0.04 7.75 7.53 4nosC1 VAL 231 H 0.01 0.77 0.02 -0.55 8.24 8.49 4nosC1 VAL 231 HA 0.08 -0.03 0.27 -0.75 4.13 3.71 4nosC1 VAL 231 HB -0.04 0.06 0.05 -0.04 2.12 2.15 4nosC1 VAL 231 HG13 -0.01 -0.02 -0.15 -0.04 0.97 0.75 4nosC1 VAL 231 HG23 -0.10 0.00 -0.07 -0.04 0.95 0.74 4nosC1 ARG 232 H 0.02 0.55 -0.35 -0.55 8.46 8.13 4nosC1 ARG 232 HA 0.03 0.01 0.49 -0.75 4.34 4.12 4nosC1 ARG 232 HB2 -0.01 0.01 0.10 -0.04 1.90 1.96 4nosC1 ARG 232 HB3 0.02 0.12 0.15 -0.04 1.80 2.04 4nosC1 ARG 232 HG2 0.03 0.00 -0.18 -0.04 1.67 1.48 4nosC1 ARG 232 HG3 0.01 -0.04 0.02 -0.04 1.67 1.62 4nosC1 ARG 232 HD2 -0.02 -0.03 -0.04 -0.04 3.22 3.09 4nosC1 ARG 232 HD3 -0.01 0.01 -0.03 -0.04 3.22 3.14 4nosC1 TYR 233 H 0.21 0.61 -0.04 -0.55 8.29 8.51 4nosC1 TYR 233 HA 0.08 -0.01 0.39 -0.75 4.56 4.26 4nosC1 TYR 233 HB2 0.20 -0.04 0.09 -0.04 3.06 3.27 4nosC1 TYR 233 HB3 0.23 0.10 0.18 -0.04 2.98 3.44 4nosC1 TYR 233 HD2 0.14 0.00 -0.18 -0.04 7.15 7.07 4nosC1 TYR 233 HE2 -0.00 -0.00 -0.18 -0.04 6.85 6.63 4nosC1 SER 234 H 0.34 0.63 -0.13 -0.55 8.46 8.76 4nosC1 SER 234 HA 0.09 0.02 0.38 -0.75 4.49 4.23 4nosC1 SER 234 HB2 0.27 -0.00 0.03 -0.04 3.95 4.21 4nosC1 SER 234 HB3 0.21 0.03 -0.04 -0.04 3.93 4.09 4nosC1 THR 235 H 0.09 0.66 -0.07 -0.55 8.28 8.40 4nosC1 THR 235 HA 0.08 -0.02 0.34 -0.75 4.39 4.03 4nosC1 THR 235 HB 0.03 0.09 0.14 -0.04 4.32 4.54 4nosC1 THR 235 HG23 0.03 -0.08 0.00 -0.04 1.22 1.14 4nosC1 ASN 236 H -0.03 0.39 -0.61 -0.55 8.53 7.74 4nosC1 ASN 236 HA -0.06 0.03 0.25 -0.75 4.76 4.23 4nosC1 ASN 236 HB2 -0.18 0.30 -0.06 -0.04 2.88 2.90 4nosC1 ASN 236 HB3 -0.06 0.11 -0.43 -0.04 2.79 2.37 4nosC1 ASN 236 HD21 -0.07 -0.14 0.05 -0.04 7.03 6.83 4nosC1 ASN 236 HD22 -0.08 0.32 0.05 -0.04 7.74 7.98 4nosC1 ASN 237 H -0.01 0.04 -0.47 -0.55 8.53 7.55 4nosC1 ASN 237 HA -0.01 -0.03 0.27 -0.75 4.76 4.24 4nosC1 ASN 237 HB2 -0.02 0.29 0.02 -0.04 2.88 3.13 4nosC1 ASN 237 HB3 -0.02 -0.01 0.26 -0.04 2.79 2.98 4nosC1 ASN 237 HD21 -0.01 -0.04 -0.09 -0.04 7.03 6.85 4nosC1 ASN 237 HD22 -0.02 0.09 -0.24 -0.04 7.74 7.52 4nosC1 GLY 238 H 0.01 0.78 -0.01 -0.55 8.43 8.66 4nosC1 GLY 238 HA2 0.01 -0.13 0.41 -0.51 4.01 3.79 4nosC1 GLY 238 HA3 -0.02 0.33 0.87 -0.51 4.01 4.68 4nosC1 ASN 239 H -0.02 0.41 -0.47 -0.55 8.53 7.91 4nosC1 ASN 239 HA -0.05 0.02 0.65 -0.75 4.76 4.63 4nosC1 ASN 239 HB2 -0.04 -0.00 0.05 -0.04 2.88 2.84 4nosC1 ASN 239 HB3 -0.04 0.17 0.19 -0.04 2.79 3.06 4nosC1 ASN 239 HD21 -0.05 -0.08 0.02 -0.04 7.03 6.89 4nosC1 ASN 239 HD22 -0.04 0.01 0.05 -0.04 7.74 7.71 4nosC1 ILE 240 H 0.04 0.19 -0.37 -0.55 8.25 7.56 4nosC1 ILE 240 HA 0.11 0.34 0.22 -0.75 4.18 4.10 4nosC1 ILE 240 HB 0.30 -0.15 0.00 -0.04 1.89 2.00 4nosC1 ILE 240 HG12 0.13 -0.00 0.13 -0.04 1.49 1.70 4nosC1 ILE 240 HG13 0.28 0.03 0.08 -0.04 1.21 1.56 4nosC1 ILE 240 HG23 0.33 -0.01 -0.19 -0.04 0.93 1.02 4nosC1 ILE 240 HD13 0.14 0.00 -0.06 -0.04 0.88 0.92 4nosC1 ARG 241 H 0.14 0.50 0.27 -0.55 8.46 8.82 4nosC1 ARG 241 HA 0.32 0.10 0.81 -0.75 4.34 4.81 4nosC1 ARG 241 HB2 -0.12 0.04 0.03 -0.04 1.90 1.81 4nosC1 ARG 241 HB3 0.14 -0.06 0.01 -0.04 1.80 1.85 4nosC1 ARG 241 HG2 0.05 -0.05 0.03 -0.04 1.67 1.65 4nosC1 ARG 241 HG3 -0.05 0.28 -0.19 -0.04 1.67 1.67 4nosC1 ARG 241 HD2 -0.18 -0.10 -0.03 -0.04 3.22 2.87 4nosC1 ARG 241 HD3 -0.12 -0.06 -0.01 -0.04 3.22 2.99 4nosC1 SER 242 H 0.19 0.16 0.12 -0.55 8.46 8.38 4nosC1 SER 242 HA 0.00 0.20 0.73 -0.75 4.49 4.66 4nosC1 SER 242 HB2 -0.01 0.15 0.23 -0.04 3.95 4.28 4nosC1 SER 242 HB3 -0.33 0.12 0.19 -0.04 3.93 3.86 4nosC1 ALA 243 H -0.02 0.30 0.32 -0.55 8.40 8.46 4nosC1 ALA 243 HA -0.20 0.14 0.93 -0.75 4.34 4.46 4nosC1 ALA 243 HB3 -0.28 -0.01 -0.14 -0.04 1.41 0.94 4nosC1 ILE 244 H -0.25 0.71 0.40 -0.55 8.25 8.56 4nosC1 ILE 244 HA 0.11 0.35 0.97 -0.75 4.18 4.86 4nosC1 ILE 244 HB -0.07 -0.01 -0.08 -0.04 1.89 1.69 4nosC1 ILE 244 HG12 -0.00 -0.08 -0.35 -0.04 1.49 1.01 4nosC1 ILE 244 HG13 0.14 0.29 -0.16 -0.04 1.21 1.44 4nosC1 ILE 244 HG23 -0.11 -0.03 -0.07 -0.04 0.93 0.68 4nosC1 ILE 244 HD13 0.08 -0.03 -0.11 -0.04 0.88 0.78 4nosC1 THR 245 H 0.10 0.71 0.11 -0.55 8.28 8.64 4nosC1 THR 245 HA -0.07 0.19 1.01 -0.75 4.39 4.77 4nosC1 THR 245 HB -0.10 -0.01 0.07 -0.04 4.32 4.25 4nosC1 THR 245 HG23 -0.64 -0.02 -0.27 -0.04 1.22 0.25 4nosC1 VAL 246 H -0.24 0.46 0.18 -0.55 8.24 8.09 4nosC1 VAL 246 HA -0.18 0.25 0.86 -0.75 4.13 4.31 4nosC1 VAL 246 HB -0.23 -0.21 0.18 -0.04 2.12 1.82 4nosC1 VAL 246 HG13 -0.47 0.07 -0.06 -0.04 0.97 0.47 4nosC1 VAL 246 HG23 -0.23 0.01 -0.12 -0.04 0.95 0.57 4nosC1 PHE 247 H 0.00 0.68 0.22 -0.55 8.34 8.68 4nosC1 PHE 247 HA -0.15 0.12 0.45 -0.75 4.62 4.29 4nosC1 PHE 247 HB2 0.08 0.11 0.11 -0.04 3.15 3.42 4nosC1 PHE 247 HB3 -0.06 0.00 0.16 -0.04 3.06 3.12 4nosC1 PHE 247 HD2 -0.04 0.05 -0.08 -0.04 7.28 7.17 4nosC1 PHE 247 HE2 -0.04 -0.03 -0.06 -0.04 7.38 7.20 4nosC1 PHE 247 HZ 0.02 -0.01 -0.11 -0.04 7.32 7.17 4nosC1 PRO 248 HA -0.02 -0.03 0.59 -0.51 4.44 4.47 4nosC1 PRO 248 HB2 -0.40 -0.01 0.05 -0.04 2.28 1.87 4nosC1 PRO 248 HB3 -0.22 0.08 0.17 -0.04 2.02 2.01 4nosC1 PRO 248 HG2 -1.30 0.13 0.04 -0.04 2.03 0.86 4nosC1 PRO 248 HG3 -0.37 0.07 -0.07 -0.04 2.03 1.62 4nosC1 PRO 248 HD2 -1.26 -0.00 0.18 -0.04 3.68 2.56 4nosC1 PRO 248 HD3 -0.30 0.09 0.21 -0.04 3.65 3.61 4nosC1 GLN 249 H -0.08 0.03 0.22 -0.55 8.47 8.09 4nosC1 GLN 249 HA -0.46 0.06 0.54 -0.75 4.36 3.75 4nosC1 GLN 249 HB2 -0.93 0.01 0.12 -0.04 2.15 1.31 4nosC1 GLN 249 HB3 -1.00 -0.08 0.14 -0.04 2.02 1.03 4nosC1 GLN 249 HG2 -0.18 -0.10 0.07 -0.04 2.40 2.14 4nosC1 GLN 249 HG3 -0.25 0.24 -0.15 -0.04 2.39 2.19 4nosC1 GLN 249 HE21 -0.23 0.49 0.21 -0.04 6.97 7.40 4nosC1 GLN 249 HE22 -0.17 0.03 0.06 -0.04 7.69 7.57 4nosC1 ARG 250 H -0.20 0.83 0.47 -0.55 8.46 9.01 4nosC1 ARG 250 HA 0.04 -0.06 0.44 -0.75 4.34 4.00 4nosC1 ARG 250 HB2 -0.01 0.02 0.10 -0.04 1.90 1.97 4nosC1 ARG 250 HB3 -0.08 0.04 0.20 -0.04 1.80 1.92 4nosC1 ARG 250 HG2 -0.03 0.09 -0.41 -0.04 1.67 1.28 4nosC1 ARG 250 HG3 0.00 -0.25 -0.07 -0.04 1.67 1.31 4nosC1 ARG 250 HD2 -0.03 0.06 -0.07 -0.04 3.22 3.13 4nosC1 ARG 250 HD3 -0.03 -0.00 -0.13 -0.04 3.22 3.03 4nosC1 SER 251 H 0.06 -0.06 0.07 -0.55 8.46 7.99 4nosC1 SER 251 HA -0.01 0.28 0.90 -0.75 4.49 4.91 4nosC1 SER 251 HB2 0.08 0.05 0.08 -0.04 3.95 4.12 4nosC1 SER 251 HB3 0.06 0.13 0.06 -0.04 3.93 4.14 4nosC1 ASP 252 H 0.07 0.04 0.09 -0.55 8.40 8.05 4nosC1 ASP 252 HA -0.00 0.27 0.58 -0.75 4.63 4.72 4nosC1 ASP 252 HB2 -0.02 0.11 0.01 -0.04 2.71 2.77 4nosC1 ASP 252 HB3 0.03 0.07 -0.02 -0.04 2.70 2.74 4nosC1 GLY 253 H -0.01 -0.09 -0.21 -0.55 8.43 7.57 4nosC1 GLY 253 HA2 -0.02 -0.02 0.22 -0.51 4.01 3.69 4nosC1 GLY 253 HA3 -0.04 0.34 0.39 -0.51 4.01 4.19 4nosC1 LYS 254 H -0.19 -0.04 -0.44 -0.55 8.42 7.19 4nosC1 LYS 254 HA -0.15 0.27 0.76 -0.75 4.32 4.45 4nosC1 LYS 254 HB2 -0.50 -0.08 -0.04 -0.04 1.87 1.21 4nosC1 LYS 254 HB3 -0.33 0.05 0.12 -0.04 1.79 1.58 4nosC1 LYS 254 HG2 -0.12 0.04 -0.00 -0.04 1.46 1.34 4nosC1 LYS 254 HG3 -0.12 0.07 -0.20 -0.04 1.46 1.17 4nosC1 LYS 254 HD2 -0.11 -0.03 -0.02 -0.04 1.69 1.48 4nosC1 LYS 254 HD3 -0.10 -0.03 0.01 -0.04 1.68 1.52 4nosC1 LYS 254 HE2 -0.06 -0.04 0.04 -0.04 2.99 2.89 4nosC1 LYS 254 HE3 -0.06 0.22 0.09 -0.04 2.99 3.21 4nosC1 HIS 255 H -0.07 -0.13 -0.28 -0.55 8.41 7.38 4nosC1 HIS 255 HA -0.03 0.38 0.25 -0.75 4.63 4.48 4nosC1 HIS 255 HB2 0.06 -0.15 0.06 -0.04 3.26 3.19 4nosC1 HIS 255 HB3 0.06 0.02 0.03 -0.04 3.20 3.27 4nosC1 HIS 255 HD2 -0.02 0.31 -0.01 -0.04 6.97 7.21 4nosC1 HIS 255 HE1 0.01 0.01 -0.05 -0.04 7.75 7.67 4nosC1 ASP 256 H 0.03 0.27 -0.26 -0.55 8.40 7.89 4nosC1 ASP 256 HA 0.18 0.10 0.44 -0.75 4.63 4.60 4nosC1 ASP 256 HB2 0.06 0.04 -0.09 -0.04 2.71 2.68 4nosC1 ASP 256 HB3 0.10 0.13 -0.26 -0.04 2.70 2.63 4nosC1 PHE 257 H 0.42 0.28 0.08 -0.55 8.34 8.56 4nosC1 PHE 257 HA -0.03 0.24 0.75 -0.75 4.62 4.83 4nosC1 PHE 257 HB2 0.09 0.10 0.18 -0.04 3.15 3.48 4nosC1 PHE 257 HB3 -0.16 -0.03 0.05 -0.04 3.06 2.89 4nosC1 PHE 257 HD2 -0.06 0.04 -0.03 -0.04 7.28 7.19 4nosC1 PHE 257 HE2 0.01 -0.05 -0.22 -0.04 7.38 7.08 4nosC1 PHE 257 HZ 0.01 0.08 0.03 -0.04 7.32 7.40 4nosC1 ARG 258 H 0.03 0.54 0.22 -0.55 8.46 8.70 4nosC1 ARG 258 HA 0.17 0.22 0.65 -0.75 4.34 4.63 4nosC1 ARG 258 HB2 0.28 -0.08 -0.15 -0.04 1.90 1.91 4nosC1 ARG 258 HB3 0.22 0.09 -0.13 -0.04 1.80 1.94 4nosC1 ARG 258 HG2 0.13 0.41 -0.10 -0.04 1.67 2.06 4nosC1 ARG 258 HG3 0.14 -0.19 -0.84 -0.04 1.67 0.73 4nosC1 ARG 258 HD2 0.05 -0.05 -0.15 -0.04 3.22 3.04 4nosC1 ARG 258 HD3 0.08 -0.05 -0.18 -0.04 3.22 3.03 4nosC1 VAL 259 H 0.17 0.39 0.19 -0.55 8.24 8.43 4nosC1 VAL 259 HA 0.13 0.06 0.84 -0.75 4.13 4.40 4nosC1 VAL 259 HB 0.10 0.26 0.12 -0.04 2.12 2.56 4nosC1 VAL 259 HG13 0.07 -0.06 -0.10 -0.04 0.97 0.85 4nosC1 VAL 259 HG23 0.12 -0.02 -0.02 -0.04 0.95 0.98 4nosC1 TRP 260 H 0.43 0.62 0.23 -0.55 7.97 8.70 4nosC1 TRP 260 HA 0.17 0.10 0.58 -0.75 4.62 4.71 4nosC1 TRP 260 HB2 0.30 0.06 0.13 -0.04 3.23 3.67 4nosC1 TRP 260 HB3 0.65 -0.08 -0.02 -0.04 3.23 3.73 4nosC1 TRP 260 HD1 0.04 -0.04 -0.46 -0.04 7.22 6.72 4nosC1 TRP 260 HE1 -0.12 0.07 -0.16 -0.04 10.20 9.94 4nosC1 TRP 260 HE3 0.33 -0.03 -0.08 -0.04 7.59 7.77 4nosC1 TRP 260 HZ2 -0.81 0.09 -0.17 -0.04 7.44 6.52 4nosC1 TRP 260 HZ3 0.41 0.02 -0.06 -0.04 7.13 7.46 4nosC1 TRP 260 HH2 -0.25 0.06 -0.10 -0.04 7.19 6.86 4nosC1 ASN 261 H 0.23 -0.01 -0.11 -0.55 8.53 8.10 4nosC1 ASN 261 HA -0.71 0.02 0.45 -0.75 4.76 3.76 4nosC1 ASN 261 HB2 -0.08 -0.02 -0.23 -0.04 2.88 2.52 4nosC1 ASN 261 HB3 -0.27 0.07 -0.00 -0.04 2.79 2.55 4nosC1 ASN 261 HD21 0.12 0.53 0.05 -0.04 7.03 7.70 4nosC1 ASN 261 HD22 -0.10 -0.01 -0.08 -0.04 7.74 7.51 4nosC1 ALA 262 H -0.28 0.11 0.16 -0.55 8.40 7.84 4nosC1 ALA 262 HA -0.04 0.11 0.44 -0.75 4.34 4.10 4nosC1 ALA 262 HB3 -0.02 0.01 0.12 -0.04 1.41 1.47 4nosC1 GLN 263 H -0.16 0.08 -0.10 -0.55 8.47 7.74 4nosC1 GLN 263 HA -0.14 0.23 1.07 -0.75 4.36 4.77 4nosC1 GLN 263 HB2 -0.11 -0.07 -0.06 -0.04 2.15 1.87 4nosC1 GLN 263 HB3 -0.14 0.03 0.07 -0.04 2.02 1.93 4nosC1 GLN 263 HG2 -0.04 0.13 -0.03 -0.04 2.40 2.41 4nosC1 GLN 263 HG3 -0.03 -0.11 -0.41 -0.04 2.39 1.80 4nosC1 GLN 263 HE21 0.42 -0.06 0.02 -0.04 6.97 7.31 4nosC1 GLN 263 HE22 0.16 -0.06 0.04 -0.04 7.69 7.80 4nosC1 LEU 264 H -0.17 0.35 0.10 -0.55 8.37 8.09 4nosC1 LEU 264 HA -0.11 0.01 0.30 -0.75 4.35 3.80 4nosC1 LEU 264 HB2 -0.19 -0.00 0.11 -0.04 1.64 1.52 4nosC1 LEU 264 HB3 -0.17 0.03 -0.04 -0.04 1.64 1.42 4nosC1 LEU 264 HG -0.15 -0.03 -0.05 -0.04 1.64 1.37 4nosC1 LEU 264 HD13 -0.10 -0.00 -0.09 -0.04 0.93 0.70 4nosC1 LEU 264 HD23 -0.39 0.01 -0.14 -0.04 0.89 0.34 4nosC1 ILE 265 H -0.28 0.13 -0.03 -0.55 8.25 7.51 4nosC1 ILE 265 HA -0.33 0.21 0.80 -0.75 4.18 4.10 4nosC1 ILE 265 HB -0.71 0.08 0.08 -0.04 1.89 1.29 4nosC1 ILE 265 HG12 -0.19 0.07 -0.20 -0.04 1.49 1.13 4nosC1 ILE 265 HG13 -0.20 -0.11 -0.15 -0.04 1.21 0.70 4nosC1 ILE 265 HG23 -0.69 -0.01 -0.11 -0.04 0.93 0.08 4nosC1 ILE 265 HD13 -0.10 0.01 -0.02 -0.04 0.88 0.74 4nosC1 ARG 266 H -0.44 0.37 0.18 -0.55 8.46 8.01 4nosC1 ARG 266 HA -0.56 0.03 0.48 -0.75 4.34 3.53 4nosC1 ARG 266 HB2 -0.21 0.11 -0.33 -0.04 1.90 1.43 4nosC1 ARG 266 HB3 -0.19 0.02 -0.11 -0.04 1.80 1.48 4nosC1 ARG 266 HG2 -0.03 -0.06 -0.00 -0.04 1.67 1.54 4nosC1 ARG 266 HG3 0.02 0.12 0.07 -0.04 1.67 1.85 4nosC1 ARG 266 HD2 0.21 -0.03 0.14 -0.04 3.22 3.50 4nosC1 ARG 266 HD3 0.12 0.02 0.06 -0.04 3.22 3.38 4nosC1 TYR 267 H -0.08 0.11 0.13 -0.55 8.29 7.89 4nosC1 TYR 267 HA 0.01 0.28 0.79 -0.75 4.56 4.89 4nosC1 TYR 267 HB2 0.20 -0.02 0.07 -0.04 3.06 3.27 4nosC1 TYR 267 HB3 0.17 0.03 0.04 -0.04 2.98 3.18 4nosC1 TYR 267 HD2 -0.14 0.02 -0.37 -0.04 7.15 6.62 4nosC1 TYR 267 HE2 -0.41 0.04 -0.08 -0.04 6.85 6.36 4nosC1 ALA 268 H 0.21 0.25 0.22 -0.55 8.40 8.53 4nosC1 ALA 268 HA -0.05 0.10 0.56 -0.75 4.34 4.20 4nosC1 ALA 268 HB3 -0.12 0.00 0.02 -0.04 1.41 1.27 4nosC1 GLY 269 H -0.20 0.22 0.04 -0.55 8.43 7.94 4nosC1 GLY 269 HA2 -0.11 0.22 0.74 -0.51 4.01 4.36 4nosC1 GLY 269 HA3 -0.07 0.06 0.00 -0.51 4.01 3.49 4nosC1 TYR 270 H 0.08 0.85 0.20 -0.55 8.29 8.87 4nosC1 TYR 270 HA 0.09 0.16 0.98 -0.75 4.56 5.04 4nosC1 TYR 270 HB2 0.13 -0.04 0.11 -0.04 3.06 3.21 4nosC1 TYR 270 HB3 0.20 0.05 -0.08 -0.04 2.98 3.10 4nosC1 TYR 270 HD2 0.09 0.14 -0.15 -0.04 7.15 7.19 4nosC1 TYR 270 HE2 0.03 0.09 -0.04 -0.04 6.85 6.89 4nosC1 GLN 271 H 0.14 0.19 0.11 -0.55 8.47 8.36 4nosC1 GLN 271 HA 0.07 0.15 0.76 -0.75 4.36 4.59 4nosC1 GLN 271 HB2 0.05 -0.05 0.06 -0.04 2.15 2.17 4nosC1 GLN 271 HB3 0.07 -0.00 0.16 -0.04 2.02 2.20 4nosC1 GLN 271 HG2 0.04 -0.03 -0.04 -0.04 2.40 2.32 4nosC1 GLN 271 HG3 0.04 0.05 -0.27 -0.04 2.39 2.17 4nosC1 GLN 271 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.92 4nosC1 GLN 271 HE22 0.03 -0.04 -0.03 -0.04 7.69 7.62 4nosC1 MET 272 H 0.06 0.73 0.29 -0.55 8.47 9.00 4nosC1 MET 272 HA 0.04 0.14 0.56 -0.75 4.52 4.51 4nosC1 MET 272 HB2 0.02 -0.04 -0.18 -0.04 2.15 1.91 4nosC1 MET 272 HB3 -0.00 -0.08 -0.10 -0.04 2.03 1.80 4nosC1 MET 272 HG2 0.06 0.11 -0.31 -0.04 2.63 2.45 4nosC1 MET 272 HG3 0.02 0.01 -0.25 -0.04 2.56 2.30 4nosC1 MET 272 HE3 -0.01 0.01 -0.12 -0.04 2.10 1.94 4nosC1 PRO 273 HA 0.01 0.10 0.56 -0.51 4.44 4.60 4nosC1 PRO 273 HB2 -0.01 0.01 0.03 -0.04 2.28 2.27 4nosC1 PRO 273 HB3 -0.00 0.04 0.10 -0.04 2.02 2.11 4nosC1 PRO 273 HG2 -0.01 0.04 0.08 -0.04 2.03 2.10 4nosC1 PRO 273 HG3 0.01 0.08 0.08 -0.04 2.03 2.16 4nosC1 PRO 273 HD2 -0.02 0.05 0.20 -0.04 3.68 3.87 4nosC1 PRO 273 HD3 0.02 0.30 0.28 -0.04 3.65 4.21 4nosC1 ASP 274 H -0.01 0.11 -0.27 -0.55 8.40 7.68 4nosC1 ASP 274 HA -0.01 0.11 0.40 -0.75 4.63 4.39 4nosC1 ASP 274 HB2 -0.01 0.05 0.13 -0.04 2.71 2.84 4nosC1 ASP 274 HB3 -0.02 -0.00 0.04 -0.04 2.70 2.68 4nosC1 GLY 275 H 0.01 0.43 -0.97 -0.55 8.43 7.35 4nosC1 GLY 275 HA2 0.01 0.02 0.29 -0.51 4.01 3.83 4nosC1 GLY 275 HA3 0.01 -0.02 0.31 -0.51 4.01 3.80 4nosC1 SER 276 H 0.02 0.36 0.12 -0.55 8.46 8.41 4nosC1 SER 276 HA 0.02 0.05 0.38 -0.75 4.49 4.18 4nosC1 SER 276 HB2 0.02 -0.02 0.05 -0.04 3.95 3.96 4nosC1 SER 276 HB3 0.01 0.21 0.21 -0.04 3.93 4.32 4nosC1 ILE 277 H 0.02 0.29 0.18 -0.55 8.25 8.18 4nosC1 ILE 277 HA 0.06 0.31 1.02 -0.75 4.18 4.82 4nosC1 ILE 277 HB 0.00 0.02 0.06 -0.04 1.89 1.93 4nosC1 ILE 277 HG12 0.04 0.03 0.02 -0.04 1.49 1.54 4nosC1 ILE 277 HG13 0.02 -0.06 -0.32 -0.04 1.21 0.82 4nosC1 ILE 277 HG23 -0.00 -0.01 -0.35 -0.04 0.93 0.53 4nosC1 ILE 277 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.79 4nosC1 ARG 278 H 0.14 0.57 0.25 -0.55 8.46 8.86 4nosC1 ARG 278 HA 0.05 0.15 0.82 -0.75 4.34 4.61 4nosC1 ARG 278 HB2 0.10 -0.00 -0.06 -0.04 1.90 1.90 4nosC1 ARG 278 HB3 0.29 -0.08 0.05 -0.04 1.80 2.03 4nosC1 ARG 278 HG2 0.15 0.03 -0.38 -0.04 1.67 1.43 4nosC1 ARG 278 HG3 0.10 -0.04 -0.21 -0.04 1.67 1.48 4nosC1 ARG 278 HD2 0.04 -0.01 -0.03 -0.04 3.22 3.18 4nosC1 ARG 278 HD3 0.03 -0.03 -0.07 -0.04 3.22 3.11 4nosC1 GLY 279 H -0.02 0.15 0.16 -0.55 8.43 8.17 4nosC1 GLY 279 HA2 -0.06 0.14 0.55 -0.51 4.01 4.13 4nosC1 GLY 279 HA3 0.04 0.33 0.90 -0.51 4.01 4.77 4nosC1 ASP 280 H 0.05 0.47 -0.02 -0.55 8.40 8.35 4nosC1 ASP 280 HA -0.39 0.20 0.51 -0.75 4.63 4.20 4nosC1 ASP 280 HB2 0.49 0.03 0.01 -0.04 2.71 3.19 4nosC1 ASP 280 HB3 0.18 0.08 -0.07 -0.04 2.70 2.85 4nosC1 PRO 281 HA -0.01 -0.03 0.16 -0.51 4.44 4.05 4nosC1 PRO 281 HB2 -0.00 0.25 -0.06 -0.04 2.28 2.42 4nosC1 PRO 281 HB3 -0.00 -0.03 0.02 -0.04 2.02 1.97 4nosC1 PRO 281 HG2 -0.07 0.25 -0.06 -0.04 2.03 2.11 4nosC1 PRO 281 HG3 -0.07 -0.01 -0.08 -0.04 2.03 1.83 4nosC1 PRO 281 HD2 -0.15 -0.04 0.04 -0.04 3.68 3.49 4nosC1 PRO 281 HD3 -0.37 0.54 0.34 -0.04 3.65 4.12 4nosC1 ALA 282 H 0.06 0.12 -0.30 -0.55 8.40 7.73 4nosC1 ALA 282 HA 0.07 0.10 0.48 -0.75 4.34 4.23 4nosC1 ALA 282 HB3 0.11 0.02 0.07 -0.04 1.41 1.57 4nosC1 ASN 283 H 0.05 0.66 -0.26 -0.55 8.53 8.44 4nosC1 ASN 283 HA 0.08 0.22 1.15 -0.75 4.76 5.46 4nosC1 ASN 283 HB2 0.05 0.18 0.14 -0.04 2.88 3.21 4nosC1 ASN 283 HB3 0.06 -0.13 0.22 -0.04 2.79 2.90 4nosC1 ASN 283 HD21 0.01 -0.03 -0.02 -0.04 7.03 6.95 4nosC1 ASN 283 HD22 0.05 -0.06 0.13 -0.04 7.74 7.82 4nosC1 VAL 284 H 0.02 0.39 -0.14 -0.55 8.24 7.97 4nosC1 VAL 284 HA -0.03 0.33 0.39 -0.75 4.13 4.06 4nosC1 VAL 284 HB 0.02 0.07 0.10 -0.04 2.12 2.28 4nosC1 VAL 284 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.81 4nosC1 VAL 284 HG23 0.01 -0.00 -0.28 -0.04 0.95 0.63 4nosC1 GLU 285 H 0.03 0.17 -0.17 -0.55 8.60 8.09 4nosC1 GLU 285 HA -0.04 0.10 0.36 -0.75 4.29 3.95 4nosC1 GLU 285 HB2 0.04 0.02 0.08 -0.04 2.09 2.19 4nosC1 GLU 285 HB3 0.05 0.01 0.04 -0.04 1.99 2.05 4nosC1 GLU 285 HG2 -0.10 -0.01 0.03 -0.04 2.34 2.22 4nosC1 GLU 285 HG3 0.04 0.03 0.00 -0.04 2.34 2.37 4nosC1 PHE 286 H 0.07 0.13 -0.20 -0.55 8.34 7.79 4nosC1 PHE 286 HA -0.49 0.08 0.50 -0.75 4.62 3.96 4nosC1 PHE 286 HB2 -0.15 -0.01 0.13 -0.04 3.15 3.08 4nosC1 PHE 286 HB3 -0.12 0.08 0.12 -0.04 3.06 3.11 4nosC1 PHE 286 HD2 -0.52 0.01 -0.08 -0.04 7.28 6.65 4nosC1 PHE 286 HE2 0.12 0.11 -0.14 -0.04 7.38 7.43 4nosC1 PHE 286 HZ 0.12 -0.07 -0.11 -0.04 7.32 7.22 4nosC1 THR 287 H -0.00 0.70 -0.03 -0.55 8.28 8.41 4nosC1 THR 287 HA -0.11 -0.01 0.42 -0.75 4.39 3.94 4nosC1 THR 287 HB -0.07 0.25 0.28 -0.04 4.32 4.73 4nosC1 THR 287 HG23 -0.04 -0.01 -0.09 -0.04 1.22 1.03 4nosC1 GLN 288 H -0.07 0.55 -0.12 -0.55 8.47 8.28 4nosC1 GLN 288 HA 0.01 0.01 0.41 -0.75 4.36 4.02 4nosC1 GLN 288 HB2 -0.02 0.04 0.14 -0.04 2.15 2.28 4nosC1 GLN 288 HB3 -0.08 0.12 0.11 -0.04 2.02 2.12 4nosC1 GLN 288 HG2 -0.02 -0.03 -0.00 -0.04 2.40 2.31 4nosC1 GLN 288 HG3 -0.05 0.01 -0.11 -0.04 2.39 2.20 4nosC1 GLN 288 HE21 0.02 0.02 0.01 -0.04 6.97 6.97 4nosC1 GLN 288 HE22 -0.02 -0.01 0.07 -0.04 7.69 7.68 4nosC1 LEU 289 H -0.29 0.39 -0.27 -0.55 8.37 7.65 4nosC1 LEU 289 HA -0.18 0.03 0.46 -0.75 4.35 3.91 4nosC1 LEU 289 HB2 -0.47 -0.02 0.12 -0.04 1.64 1.23 4nosC1 LEU 289 HB3 -0.74 0.18 0.25 -0.04 1.64 1.28 4nosC1 LEU 289 HG -0.33 0.01 -0.29 -0.04 1.64 0.99 4nosC1 LEU 289 HD13 0.09 -0.00 -0.00 -0.04 0.93 0.97 4nosC1 LEU 289 HD23 -0.18 -0.02 -0.03 -0.04 0.89 0.62 4nosC1 CYS 290 H -0.40 0.52 -0.10 -0.55 8.50 7.97 4nosC1 CYS 290 HA -0.19 0.01 0.31 -0.75 4.58 3.96 4nosC1 CYS 290 HB2 -0.14 0.14 0.17 -0.04 2.97 3.11 4nosC1 CYS 290 HB3 -0.19 -0.06 -0.04 -0.04 2.97 2.64 4nosC1 ILE 291 H 0.08 0.63 -0.09 -0.55 8.25 8.31 4nosC1 ILE 291 HA 0.15 0.22 0.35 -0.75 4.18 4.15 4nosC1 ILE 291 HB 0.05 0.09 0.15 -0.04 1.89 2.13 4nosC1 ILE 291 HG12 0.14 0.01 -0.03 -0.04 1.49 1.57 4nosC1 ILE 291 HG13 0.30 0.21 0.04 -0.04 1.21 1.72 4nosC1 ILE 291 HG23 0.01 -0.00 -0.05 -0.04 0.93 0.84 4nosC1 ILE 291 HD13 0.16 -0.05 -0.06 -0.04 0.88 0.89 4nosC1 ASP 292 H -0.04 0.45 -0.37 -0.55 8.40 7.89 4nosC1 ASP 292 HA -0.05 0.02 0.53 -0.75 4.63 4.37 4nosC1 ASP 292 HB2 -0.09 0.14 0.20 -0.04 2.71 2.92 4nosC1 ASP 292 HB3 -0.11 -0.08 0.09 -0.04 2.70 2.57 4nosC1 LEU 293 H -0.05 0.39 -0.21 -0.55 8.37 7.95 4nosC1 LEU 293 HA -0.06 0.10 0.66 -0.75 4.35 4.29 4nosC1 LEU 293 HB2 -0.07 -0.00 0.13 -0.04 1.64 1.66 4nosC1 LEU 293 HB3 -0.06 -0.08 0.19 -0.04 1.64 1.65 4nosC1 LEU 293 HG -0.05 0.19 -0.06 -0.04 1.64 1.67 4nosC1 LEU 293 HD13 -0.06 -0.02 -0.11 -0.04 0.93 0.70 4nosC1 LEU 293 HD23 0.02 0.01 -0.07 -0.04 0.89 0.81 4nosC1 GLY 294 H -0.01 0.31 -0.84 -0.55 8.43 7.33 4nosC1 GLY 294 HA2 -0.02 -0.00 0.26 -0.51 4.01 3.74 4nosC1 GLY 294 HA3 -0.02 0.07 0.61 -0.51 4.01 4.15 4nosC1 TRP 295 H 0.17 0.43 -0.25 -0.55 7.97 7.77 4nosC1 TRP 295 HA -0.08 -0.02 0.32 -0.75 4.62 4.09 4nosC1 TRP 295 HB2 -0.09 -0.00 -0.08 -0.04 3.23 3.01 4nosC1 TRP 295 HB3 -0.08 -0.07 -0.41 -0.04 3.23 2.62 4nosC1 TRP 295 HD1 -0.05 -0.03 -0.02 -0.04 7.22 7.07 4nosC1 TRP 295 HE1 -0.01 -0.04 -0.02 -0.04 10.20 10.09 4nosC1 TRP 295 HE3 -0.05 0.00 -0.25 -0.04 7.59 7.25 4nosC1 TRP 295 HZ2 0.05 -0.01 -0.06 -0.04 7.44 7.37 4nosC1 TRP 295 HZ3 0.04 -0.06 -0.06 -0.04 7.13 7.01 4nosC1 TRP 295 HH2 0.15 -0.15 -0.05 -0.04 7.19 7.10 4nosC1 LYS 296 H -0.57 0.06 0.12 -0.55 8.42 7.47 4nosC1 LYS 296 HA -0.40 0.20 0.69 -0.75 4.32 4.06 4nosC1 LYS 296 HB2 -0.26 0.02 0.09 -0.04 1.87 1.68 4nosC1 LYS 296 HB3 -0.46 -0.09 0.12 -0.04 1.79 1.32 4nosC1 LYS 296 HG2 -0.40 0.23 -0.22 -0.04 1.46 1.03 4nosC1 LYS 296 HG3 -0.23 -0.00 0.03 -0.04 1.46 1.21 4nosC1 LYS 296 HD2 -0.13 -0.03 -0.01 -0.04 1.69 1.48 4nosC1 LYS 296 HD3 -0.18 -0.05 -0.01 -0.04 1.68 1.39 4nosC1 LYS 296 HE2 -0.15 0.07 -0.03 -0.04 2.99 2.84 4nosC1 LYS 296 HE3 -0.11 -0.06 -0.03 -0.04 2.99 2.75 4nosC1 PRO 297 HA -1.26 -0.02 0.60 -0.51 4.44 3.26 4nosC1 PRO 297 HB2 -1.51 -0.04 -0.06 -0.04 2.28 0.62 4nosC1 PRO 297 HB3 -0.29 0.04 0.05 -0.04 2.02 1.78 4nosC1 PRO 297 HG2 -0.46 0.01 0.07 -0.04 2.03 1.61 4nosC1 PRO 297 HG3 -0.21 0.04 0.05 -0.04 2.03 1.87 4nosC1 PRO 297 HD2 -0.31 0.09 0.28 -0.04 3.68 3.69 4nosC1 PRO 297 HD3 -0.28 0.26 0.15 -0.04 3.65 3.74 4nosC1 LYS 298 H -0.41 0.01 0.15 -0.55 8.42 7.61 4nosC1 LYS 298 HA -0.25 0.24 0.76 -0.75 4.32 4.32 4nosC1 LYS 298 HB2 0.04 -0.13 0.02 -0.04 1.87 1.76 4nosC1 LYS 298 HB3 -0.03 0.02 0.03 -0.04 1.79 1.78 4nosC1 LYS 298 HG2 -0.19 0.08 -0.15 -0.04 1.46 1.16 4nosC1 LYS 298 HG3 -0.29 0.05 -0.04 -0.04 1.46 1.14 4nosC1 LYS 298 HD2 0.24 -0.09 -0.02 -0.04 1.69 1.78 4nosC1 LYS 298 HD3 0.09 -0.01 -0.02 -0.04 1.68 1.69 4nosC1 LYS 298 HE2 0.09 0.01 -0.03 -0.04 2.99 3.03 4nosC1 LYS 298 HE3 0.56 0.06 -0.02 -0.04 2.99 3.55 4nosC1 TYR 299 H -0.68 -0.06 0.04 -0.55 8.29 7.04 4nosC1 TYR 299 HA -1.31 0.02 0.21 -0.75 4.56 2.72 4nosC1 TYR 299 HB2 -0.23 0.28 0.14 -0.04 3.06 3.20 4nosC1 TYR 299 HB3 -0.29 -0.02 0.15 -0.04 2.98 2.77 4nosC1 TYR 299 HD2 -0.45 0.06 -0.22 -0.04 7.15 6.50 4nosC1 TYR 299 HE2 -0.13 0.03 -0.09 -0.04 6.85 6.61 4nosC1 GLY 300 H 0.18 -0.02 -0.05 -0.55 8.43 7.99 4nosC1 GLY 300 HA2 0.08 0.29 0.77 -0.51 4.01 4.65 4nosC1 GLY 300 HA3 0.12 -0.01 0.19 -0.51 4.01 3.81 4nosC1 ARG 301 H 0.04 0.21 0.13 -0.55 8.46 8.29 4nosC1 ARG 301 HA -0.05 0.09 0.60 -0.75 4.34 4.22 4nosC1 ARG 301 HB2 -0.42 0.05 0.06 -0.04 1.90 1.55 4nosC1 ARG 301 HB3 -0.55 0.03 0.12 -0.04 1.80 1.36 4nosC1 ARG 301 HG2 -0.02 -0.04 0.10 -0.04 1.67 1.67 4nosC1 ARG 301 HG3 0.01 -0.03 0.08 -0.04 1.67 1.68 4nosC1 ARG 301 HD2 0.05 0.03 0.07 -0.04 3.22 3.33 4nosC1 ARG 301 HD3 0.06 0.02 0.06 -0.04 3.22 3.32 4nosC1 PHE 302 H 0.06 0.03 -0.19 -0.55 8.34 7.69 4nosC1 PHE 302 HA -0.46 0.18 0.72 -0.75 4.62 4.30 4nosC1 PHE 302 HB2 -0.23 0.01 0.08 -0.04 3.15 2.97 4nosC1 PHE 302 HB3 -1.26 -0.00 0.04 -0.04 3.06 1.80 4nosC1 PHE 302 HD2 -0.59 -0.05 -0.02 -0.04 7.28 6.58 4nosC1 PHE 302 HE2 -0.05 0.15 0.10 -0.04 7.38 7.53 4nosC1 PHE 302 HZ -0.00 0.01 0.09 -0.04 7.32 7.38 4nosC1 ASP 303 H 0.24 0.20 -0.14 -0.55 8.40 8.15 4nosC1 ASP 303 HA 0.27 0.16 0.59 -0.75 4.63 4.90 4nosC1 ASP 303 HB2 0.43 -0.05 0.12 -0.04 2.71 3.16 4nosC1 ASP 303 HB3 0.49 0.16 -0.08 -0.04 2.70 3.23 4nosC1 VAL 304 H 0.25 0.17 0.12 -0.55 8.24 8.22 4nosC1 VAL 304 HA 0.04 0.21 0.60 -0.75 4.13 4.24 4nosC1 VAL 304 HB 0.07 -0.01 0.15 -0.04 2.12 2.28 4nosC1 VAL 304 HG13 -0.13 0.02 0.02 -0.04 0.97 0.83 4nosC1 VAL 304 HG23 0.08 -0.00 -0.04 -0.04 0.95 0.94 4nosC1 VAL 305 H -0.11 0.34 0.28 -0.55 8.24 8.20 4nosC1 VAL 305 HA -0.76 0.05 0.55 -0.75 4.13 3.21 4nosC1 VAL 305 HB -0.30 0.09 0.02 -0.04 2.12 1.89 4nosC1 VAL 305 HG13 -0.21 -0.02 -0.08 -0.04 0.97 0.62 4nosC1 VAL 305 HG23 -0.07 0.03 -0.09 -0.04 0.95 0.77 4nosC1 PRO 306 HA -0.16 0.03 0.68 -0.51 4.44 4.48 4nosC1 PRO 306 HB2 -0.22 0.07 -0.06 -0.04 2.28 2.03 4nosC1 PRO 306 HB3 -0.34 -0.04 -0.03 -0.04 2.02 1.57 4nosC1 PRO 306 HG2 -0.43 -0.00 -0.06 -0.04 2.03 1.50 4nosC1 PRO 306 HG3 -0.74 0.02 -0.04 -0.04 2.03 1.23 4nosC1 PRO 306 HD2 -1.34 0.01 0.17 -0.04 3.68 2.49 4nosC1 PRO 306 HD3 -2.23 0.15 0.12 -0.04 3.65 1.65 4nosC1 LEU 307 H -0.00 0.51 0.38 -0.55 8.37 8.72 4nosC1 LEU 307 HA 0.05 0.08 0.57 -0.75 4.35 4.29 4nosC1 LEU 307 HB2 0.14 -0.02 0.17 -0.04 1.64 1.89 4nosC1 LEU 307 HB3 0.11 -0.05 -0.02 -0.04 1.64 1.64 4nosC1 LEU 307 HG 0.06 0.04 0.07 -0.04 1.64 1.77 4nosC1 LEU 307 HD13 0.21 -0.02 -0.05 -0.04 0.93 1.02 4nosC1 LEU 307 HD23 0.01 0.01 0.03 -0.04 0.89 0.90 4nosC1 VAL 308 H 0.15 0.09 0.09 -0.55 8.24 8.03 4nosC1 VAL 308 HA -0.10 0.24 0.72 -0.75 4.13 4.24 4nosC1 VAL 308 HB 0.35 -0.17 0.15 -0.04 2.12 2.41 4nosC1 VAL 308 HG13 -0.47 0.02 -0.20 -0.04 0.97 0.27 4nosC1 VAL 308 HG23 -0.06 0.05 -0.19 -0.04 0.95 0.71 4nosC1 LEU 309 H -0.01 0.67 0.14 -0.55 8.37 8.62 4nosC1 LEU 309 HA -0.08 0.22 1.06 -0.75 4.35 4.79 4nosC1 LEU 309 HB2 0.13 -0.03 0.10 -0.04 1.64 1.81 4nosC1 LEU 309 HB3 -0.09 0.02 0.00 -0.04 1.64 1.53 4nosC1 LEU 309 HG 0.15 0.01 -0.21 -0.04 1.64 1.54 4nosC1 LEU 309 HD13 -0.20 -0.01 -0.07 -0.04 0.93 0.60 4nosC1 LEU 309 HD23 0.02 0.02 -0.16 -0.04 0.89 0.73 4nosC1 GLN 310 H -0.12 0.75 0.35 -0.55 8.47 8.89 4nosC1 GLN 310 HA -0.29 0.23 0.82 -0.75 4.36 4.37 4nosC1 GLN 310 HB2 -0.32 -0.01 -0.11 -0.04 2.15 1.67 4nosC1 GLN 310 HB3 0.07 -0.01 0.13 -0.04 2.02 2.17 4nosC1 GLN 310 HG2 -0.10 0.02 -0.39 -0.04 2.40 1.89 4nosC1 GLN 310 HG3 -0.12 0.42 -0.24 -0.04 2.39 2.42 4nosC1 GLN 310 HE21 0.12 -0.04 -0.17 -0.04 6.97 6.83 4nosC1 GLN 310 HE22 0.04 0.39 -0.16 -0.04 7.69 7.92 4nosC1 ALA 311 H -0.24 0.31 0.05 -0.55 8.40 7.98 4nosC1 ALA 311 HA -0.79 0.17 0.91 -0.75 4.34 3.87 4nosC1 ALA 311 HB3 -0.20 0.01 -0.29 -0.04 1.41 0.89 4nosC1 ASN 312 H -2.82 0.16 -0.10 -0.55 8.53 5.22 4nosC1 ASN 312 HA -0.39 0.16 0.16 -0.75 4.76 3.94 4nosC1 ASN 312 HB2 -0.20 0.03 -0.10 -0.04 2.88 2.58 4nosC1 ASN 312 HB3 -0.16 0.05 -0.10 -0.04 2.79 2.54 4nosC1 ASN 312 HD21 -0.04 -0.03 0.05 -0.04 7.03 6.97 4nosC1 ASN 312 HD22 0.29 0.05 0.07 -0.04 7.74 8.11 4nosC1 GLY 313 H -0.26 0.42 -0.77 -0.55 8.43 7.28 4nosC1 GLY 313 HA2 -0.01 -0.03 0.14 -0.51 4.01 3.59 4nosC1 GLY 313 HA3 0.01 0.24 0.49 -0.51 4.01 4.24 4nosC1 ARG 314 H -0.13 0.60 -0.35 -0.55 8.46 8.03 4nosC1 ARG 314 HA -0.01 0.08 0.42 -0.75 4.34 4.08 4nosC1 ARG 314 HB2 -0.11 -0.05 0.09 -0.04 1.90 1.78 4nosC1 ARG 314 HB3 -0.05 -0.08 0.14 -0.04 1.80 1.77 4nosC1 ARG 314 HG2 -0.02 0.01 0.01 -0.04 1.67 1.64 4nosC1 ARG 314 HG3 -0.07 0.14 -0.01 -0.04 1.67 1.68 4nosC1 ARG 314 HD2 -0.03 -0.02 0.05 -0.04 3.22 3.17 4nosC1 ARG 314 HD3 -0.02 -0.02 0.03 -0.04 3.22 3.17 4nosC1 ASP 315 H -0.03 0.04 0.18 -0.55 8.40 8.04 4nosC1 ASP 315 HA -0.48 0.08 0.38 -0.75 4.63 3.85 4nosC1 ASP 315 HB2 0.02 -0.07 0.12 -0.04 2.71 2.74 4nosC1 ASP 315 HB3 0.07 0.11 0.07 -0.04 2.70 2.91 4nosC1 PRO 316 HA -0.47 0.29 0.59 -0.51 4.44 4.34 4nosC1 PRO 316 HB2 -0.96 -0.09 -0.25 -0.04 2.28 0.93 4nosC1 PRO 316 HB3 -1.77 0.00 -0.17 -0.04 2.02 0.05 4nosC1 PRO 316 HG2 -0.46 0.02 0.00 -0.04 2.03 1.56 4nosC1 PRO 316 HG3 -1.89 -0.01 -0.04 -0.04 2.03 0.04 4nosC1 PRO 316 HD2 -1.12 0.06 0.18 -0.04 3.68 2.77 4nosC1 PRO 316 HD3 -1.52 0.15 0.11 -0.04 3.65 2.34 4nosC1 GLU 317 H -0.20 0.56 0.37 -0.55 8.60 8.78 4nosC1 GLU 317 HA -0.22 0.22 0.96 -0.75 4.29 4.50 4nosC1 GLU 317 HB2 -0.04 -0.13 0.11 -0.04 2.09 1.99 4nosC1 GLU 317 HB3 -0.41 0.02 0.02 -0.04 1.99 1.59 4nosC1 GLU 317 HG2 -0.13 0.10 -0.04 -0.04 2.34 2.23 4nosC1 GLU 317 HG3 -0.11 0.14 -0.23 -0.04 2.34 2.09 4nosC1 LEU 318 H -0.32 0.21 0.17 -0.55 8.37 7.88 4nosC1 LEU 318 HA -0.22 0.31 0.86 -0.75 4.35 4.54 4nosC1 LEU 318 HB2 -0.20 0.05 0.14 -0.04 1.64 1.59 4nosC1 LEU 318 HB3 -0.17 -0.04 -0.13 -0.04 1.64 1.26 4nosC1 LEU 318 HG -0.17 0.01 -0.09 -0.04 1.64 1.35 4nosC1 LEU 318 HD13 -0.17 -0.00 -0.15 -0.04 0.93 0.57 4nosC1 LEU 318 HD23 -0.02 0.07 -0.08 -0.04 0.89 0.82 4nosC1 PHE 319 H -0.09 0.60 0.33 -0.55 8.34 8.63 4nosC1 PHE 319 HA -0.39 0.14 0.81 -0.75 4.62 4.43 4nosC1 PHE 319 HB2 -0.43 -0.05 0.03 -0.04 3.15 2.66 4nosC1 PHE 319 HB3 -1.82 0.03 -0.05 -0.04 3.06 1.18 4nosC1 PHE 319 HD2 -0.51 0.05 -0.07 -0.04 7.28 6.71 4nosC1 PHE 319 HE2 -0.13 -0.01 -0.10 -0.04 7.38 7.10 4nosC1 PHE 319 HZ -0.08 -0.18 -0.19 -0.04 7.32 6.83 4nosC1 GLU 320 H -0.09 0.21 0.11 -0.55 8.60 8.28 4nosC1 GLU 320 HA 0.02 0.12 1.00 -0.75 4.29 4.68 4nosC1 GLU 320 HB2 0.08 -0.03 0.09 -0.04 2.09 2.18 4nosC1 GLU 320 HB3 0.11 0.11 -0.02 -0.04 1.99 2.15 4nosC1 GLU 320 HG2 -0.02 0.02 -0.16 -0.04 2.34 2.14 4nosC1 GLU 320 HG3 0.08 -0.02 -0.13 -0.04 2.34 2.23 4nosC1 ILE 321 H 0.11 0.18 0.09 -0.55 8.25 8.07 4nosC1 ILE 321 HA 0.31 0.06 0.43 -0.75 4.18 4.22 4nosC1 ILE 321 HB 0.04 -0.01 -0.01 -0.04 1.89 1.87 4nosC1 ILE 321 HG12 0.13 -0.04 -0.03 -0.04 1.49 1.51 4nosC1 ILE 321 HG13 0.08 -0.01 0.08 -0.04 1.21 1.31 4nosC1 ILE 321 HG23 0.01 0.03 -0.14 -0.04 0.93 0.78 4nosC1 ILE 321 HD13 -0.05 0.02 -0.09 -0.04 0.88 0.73 4nosC1 PRO 322 HA 0.10 0.15 0.51 -0.51 4.44 4.69 4nosC1 PRO 322 HB2 0.04 -0.07 0.02 -0.04 2.28 2.23 4nosC1 PRO 322 HB3 0.09 0.07 0.12 -0.04 2.02 2.25 4nosC1 PRO 322 HG2 0.00 -0.02 0.10 -0.04 2.03 2.07 4nosC1 PRO 322 HG3 0.00 0.06 0.08 -0.04 2.03 2.13 4nosC1 PRO 322 HD2 0.04 0.03 0.23 -0.04 3.68 3.94 4nosC1 PRO 322 HD3 0.27 0.22 0.22 -0.04 3.65 4.31 4nosC1 PRO 323 HA 0.05 0.10 0.34 -0.51 4.44 4.42 4nosC1 PRO 323 HB2 0.05 -0.00 0.06 -0.04 2.28 2.34 4nosC1 PRO 323 HB3 0.06 0.05 0.09 -0.04 2.02 2.19 4nosC1 PRO 323 HG2 0.07 0.03 0.08 -0.04 2.03 2.17 4nosC1 PRO 323 HG3 0.08 0.10 0.10 -0.04 2.03 2.27 4nosC1 PRO 323 HD2 0.06 0.07 0.20 -0.04 3.68 3.97 4nosC1 PRO 323 HD3 0.08 0.24 0.25 -0.04 3.65 4.18 4nosC1 ASP 324 H 0.03 0.10 -0.35 -0.55 8.40 7.63 4nosC1 ASP 324 HA 0.02 0.12 0.34 -0.75 4.63 4.35 4nosC1 ASP 324 HB2 0.01 0.04 -0.24 -0.04 2.71 2.48 4nosC1 ASP 324 HB3 0.01 0.03 0.04 -0.04 2.70 2.74 4nosC1 LEU 325 H 0.02 0.49 -0.45 -0.55 8.37 7.88 4nosC1 LEU 325 HA 0.01 0.14 0.74 -0.75 4.35 4.48 4nosC1 LEU 325 HB2 0.00 0.30 0.03 -0.04 1.64 1.93 4nosC1 LEU 325 HB3 -0.01 -0.07 -0.05 -0.04 1.64 1.47 4nosC1 LEU 325 HG -0.01 -0.07 -0.05 -0.04 1.64 1.47 4nosC1 LEU 325 HD13 -0.07 -0.01 0.02 -0.04 0.93 0.82 4nosC1 LEU 325 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.81 4nosC1 VAL 326 H 0.02 0.32 -0.31 -0.55 8.24 7.72 4nosC1 VAL 326 HA 0.00 0.10 0.76 -0.75 4.13 4.25 4nosC1 VAL 326 HB 0.03 0.06 0.16 -0.04 2.12 2.34 4nosC1 VAL 326 HG13 -0.00 -0.02 -0.17 -0.04 0.97 0.73 4nosC1 VAL 326 HG23 -0.01 0.01 -0.17 -0.04 0.95 0.74 4nosC1 LEU 327 H 0.03 0.21 0.03 -0.55 8.37 8.09 4nosC1 LEU 327 HA 0.01 0.12 0.54 -0.75 4.35 4.27 4nosC1 LEU 327 HB2 0.01 0.05 0.02 -0.04 1.64 1.68 4nosC1 LEU 327 HB3 0.04 -0.09 0.14 -0.04 1.64 1.68 4nosC1 LEU 327 HG -0.04 -0.05 -0.24 -0.04 1.64 1.26 4nosC1 LEU 327 HD13 -0.03 -0.03 0.06 -0.04 0.93 0.89 4nosC1 LEU 327 HD23 -0.01 0.01 -0.07 -0.04 0.89 0.78 4nosC1 GLU 328 H -0.00 0.23 0.23 -0.55 8.60 8.51 4nosC1 GLU 328 HA 0.03 0.12 1.00 -0.75 4.29 4.68 4nosC1 GLU 328 HB2 0.02 0.00 -0.01 -0.04 2.09 2.06 4nosC1 GLU 328 HB3 0.03 -0.03 -0.08 -0.04 1.99 1.87 4nosC1 GLU 328 HG2 0.14 -0.07 -0.28 -0.04 2.34 2.10 4nosC1 GLU 328 HG3 0.08 0.13 -0.51 -0.04 2.34 2.00 4nosC1 VAL 329 H -0.04 0.63 0.26 -0.55 8.24 8.54 4nosC1 VAL 329 HA -0.14 0.18 0.89 -0.75 4.13 4.31 4nosC1 VAL 329 HB -0.42 -0.08 0.01 -0.04 2.12 1.59 4nosC1 VAL 329 HG13 -0.18 0.02 -0.33 -0.04 0.97 0.44 4nosC1 VAL 329 HG23 -0.79 0.01 -0.23 -0.04 0.95 -0.11 4nosC1 ALA 330 H -0.05 0.18 0.09 -0.55 8.40 8.07 4nosC1 ALA 330 HA -0.01 0.09 0.66 -0.75 4.34 4.33 4nosC1 ALA 330 HB3 -0.00 0.01 0.05 -0.04 1.41 1.43 4nosC1 MET 331 H 0.06 0.71 0.33 -0.55 8.47 9.02 4nosC1 MET 331 HA 0.17 0.08 0.67 -0.75 4.52 4.69 4nosC1 MET 331 HB2 0.13 0.01 0.03 -0.04 2.15 2.28 4nosC1 MET 331 HB3 0.45 -0.05 -0.15 -0.04 2.03 2.24 4nosC1 MET 331 HG2 0.26 0.03 -0.36 -0.04 2.63 2.52 4nosC1 MET 331 HG3 0.38 -0.06 -0.22 -0.04 2.56 2.62 4nosC1 MET 331 HE3 0.35 0.02 -0.17 -0.04 2.10 2.26 4nosC1 GLU 332 H 0.15 0.32 0.20 -0.55 8.60 8.73 4nosC1 GLU 332 HA 0.24 0.08 0.66 -0.75 4.29 4.52 4nosC1 GLU 332 HB2 0.14 0.02 -0.11 -0.04 2.09 2.10 4nosC1 GLU 332 HB3 0.12 0.01 -0.03 -0.04 1.99 2.05 4nosC1 GLU 332 HG2 0.08 0.00 -0.14 -0.04 2.34 2.23 4nosC1 GLU 332 HG3 0.08 -0.05 -0.76 -0.04 2.34 1.57 4nosC1 HIS 333 H 0.02 0.26 0.14 -0.55 8.41 8.28 4nosC1 HIS 333 HA -0.37 0.24 0.87 -0.75 4.63 4.61 4nosC1 HIS 333 HB2 -1.03 0.04 0.01 -0.04 3.26 2.24 4nosC1 HIS 333 HB3 -0.40 0.06 0.19 -0.04 3.20 3.01 4nosC1 HIS 333 HD2 -0.61 0.16 0.04 -0.04 6.97 6.50 4nosC1 HIS 333 HE1 -0.53 0.05 -0.01 -0.04 7.75 7.22 4nosC1 PRO 334 HA -0.48 0.14 0.20 -0.51 4.44 3.79 4nosC1 PRO 334 HB2 -0.37 0.04 0.04 -0.04 2.28 1.95 4nosC1 PRO 334 HB3 -0.94 0.07 0.07 -0.04 2.02 1.18 4nosC1 PRO 334 HG2 -0.58 -0.02 0.01 -0.04 2.03 1.40 4nosC1 PRO 334 HG3 -0.54 0.06 0.03 -0.04 2.03 1.54 4nosC1 PRO 334 HD2 -1.51 0.03 0.12 -0.04 3.68 2.28 4nosC1 PRO 334 HD3 -1.01 0.24 0.10 -0.04 3.65 2.93 4nosC1 LYS 335 H 0.09 -0.17 -0.55 -0.55 8.42 7.24 4nosC1 LYS 335 HA -0.07 0.26 0.89 -0.75 4.32 4.64 4nosC1 LYS 335 HB2 -0.09 0.00 0.01 -0.04 1.87 1.75 4nosC1 LYS 335 HB3 -0.11 0.07 -0.11 -0.04 1.79 1.61 4nosC1 LYS 335 HG2 -0.13 -0.04 -0.08 -0.04 1.46 1.17 4nosC1 LYS 335 HG3 -0.76 -0.04 -0.04 -0.04 1.46 0.58 4nosC1 LYS 335 HD2 -0.15 0.02 -0.05 -0.04 1.69 1.47 4nosC1 LYS 335 HD3 -0.10 0.02 -0.05 -0.04 1.68 1.51 4nosC1 LYS 335 HE2 -0.06 -0.01 -0.03 -0.04 2.99 2.85 4nosC1 LYS 335 HE3 -0.64 -0.02 -0.03 -0.04 2.99 2.25 4nosC1 TYR 336 H -0.27 -0.04 -0.04 -0.55 8.29 7.39 4nosC1 TYR 336 HA -0.19 0.15 0.69 -0.75 4.56 4.46 4nosC1 TYR 336 HB2 -0.92 -0.04 0.15 -0.04 3.06 2.22 4nosC1 TYR 336 HB3 -1.91 -0.00 -0.00 -0.04 2.98 1.02 4nosC1 TYR 336 HD2 -0.34 0.03 -0.08 -0.04 7.15 6.71 4nosC1 TYR 336 HE2 -0.01 0.02 -0.04 -0.04 6.85 6.78 4nosC1 GLU 337 H 0.04 0.28 0.23 -0.55 8.60 8.59 4nosC1 GLU 337 HA -0.01 0.15 0.42 -0.75 4.29 4.10 4nosC1 GLU 337 HB2 0.12 0.01 -0.01 -0.04 2.09 2.17 4nosC1 GLU 337 HB3 0.06 0.06 0.09 -0.04 1.99 2.16 4nosC1 GLU 337 HG2 0.10 0.03 0.08 -0.04 2.34 2.51 4nosC1 GLU 337 HG3 0.08 0.15 0.15 -0.04 2.34 2.69 4nosC1 TRP 338 H 0.06 0.13 -0.04 -0.55 7.97 7.57 4nosC1 TRP 338 HA 0.05 0.08 0.34 -0.75 4.62 4.34 4nosC1 TRP 338 HB2 0.00 0.05 0.07 -0.04 3.23 3.31 4nosC1 TRP 338 HB3 0.02 0.03 0.10 -0.04 3.23 3.34 4nosC1 TRP 338 HD1 0.02 -0.01 0.06 -0.04 7.22 7.26 4nosC1 TRP 338 HE1 -0.36 0.03 -0.01 -0.04 10.20 9.82 4nosC1 TRP 338 HE3 -0.04 -0.00 -0.41 -0.04 7.59 7.10 4nosC1 TRP 338 HZ2 -0.93 -0.00 -0.12 -0.04 7.44 6.34 4nosC1 TRP 338 HZ3 -0.05 0.00 -0.11 -0.04 7.13 6.93 4nosC1 TRP 338 HH2 0.05 -0.01 -0.07 -0.04 7.19 7.12 4nosC1 PHE 339 H -0.49 0.27 -0.90 -0.55 8.34 6.66 4nosC1 PHE 339 HA -0.37 0.05 0.28 -0.75 4.62 3.83 4nosC1 PHE 339 HB2 -0.65 0.02 0.08 -0.04 3.15 2.55 4nosC1 PHE 339 HB3 -0.20 -0.04 0.05 -0.04 3.06 2.84 4nosC1 PHE 339 HD2 -0.35 0.04 -0.29 -0.04 7.28 6.64 4nosC1 PHE 339 HE2 0.04 -0.02 -0.15 -0.04 7.38 7.20 4nosC1 PHE 339 HZ 0.00 -0.02 -0.04 -0.04 7.32 7.22 4nosC1 ARG 340 H 0.05 0.37 -0.08 -0.55 8.46 8.25 4nosC1 ARG 340 HA 0.05 0.22 0.51 -0.75 4.34 4.37 4nosC1 ARG 340 HB2 0.06 0.10 0.15 -0.04 1.90 2.17 4nosC1 ARG 340 HB3 0.05 -0.01 0.01 -0.04 1.80 1.80 4nosC1 ARG 340 HG2 0.07 0.13 0.08 -0.04 1.67 1.91 4nosC1 ARG 340 HG3 0.07 -0.03 0.11 -0.04 1.67 1.78 4nosC1 ARG 340 HD2 0.04 -0.01 0.01 -0.04 3.22 3.23 4nosC1 ARG 340 HD3 0.04 -0.02 0.00 -0.04 3.22 3.20 4nosC1 GLU 341 H 0.09 0.22 -0.34 -0.55 8.60 8.02 4nosC1 GLU 341 HA 0.05 0.03 0.34 -0.75 4.29 3.96 4nosC1 GLU 341 HB2 0.17 0.21 0.07 -0.04 2.09 2.49 4nosC1 GLU 341 HB3 0.08 -0.03 0.10 -0.04 1.99 2.11 4nosC1 GLU 341 HG2 0.08 -0.00 0.03 -0.04 2.34 2.41 4nosC1 GLU 341 HG3 0.13 -0.06 0.06 -0.04 2.34 2.42 4nosC1 LEU 342 H -0.06 0.37 -0.69 -0.55 8.37 7.44 4nosC1 LEU 342 HA -0.01 0.09 0.63 -0.75 4.35 4.30 4nosC1 LEU 342 HB2 -0.34 0.13 0.06 -0.04 1.64 1.45 4nosC1 LEU 342 HB3 -0.18 -0.07 0.04 -0.04 1.64 1.39 4nosC1 LEU 342 HG -0.02 0.05 -0.03 -0.04 1.64 1.60 4nosC1 LEU 342 HD13 -0.69 -0.02 -0.01 -0.04 0.93 0.17 4nosC1 LEU 342 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.79 4nosC1 GLU 343 H -0.01 0.59 -0.06 -0.55 8.60 8.57 4nosC1 GLU 343 HA 0.02 0.05 0.37 -0.75 4.29 3.97 4nosC1 GLU 343 HB2 0.09 0.11 -0.02 -0.04 2.09 2.23 4nosC1 GLU 343 HB3 0.08 -0.08 0.15 -0.04 1.99 2.10 4nosC1 GLU 343 HG2 0.04 -0.04 -0.00 -0.04 2.34 2.31 4nosC1 GLU 343 HG3 0.04 0.07 -0.22 -0.04 2.34 2.19 4nosC1 LEU 344 H -0.06 0.13 0.02 -0.55 8.37 7.92 4nosC1 LEU 344 HA 0.01 0.23 0.96 -0.75 4.35 4.80 4nosC1 LEU 344 HB2 -0.17 -0.07 -0.05 -0.04 1.64 1.31 4nosC1 LEU 344 HB3 -0.21 -0.01 -0.00 -0.04 1.64 1.38 4nosC1 LEU 344 HG -0.14 0.07 -0.35 -0.04 1.64 1.17 4nosC1 LEU 344 HD13 -0.64 -0.02 -0.07 -0.04 0.93 0.16 4nosC1 LEU 344 HD23 0.05 0.02 -0.03 -0.04 0.89 0.90 4nosC1 LYS 345 H -0.57 0.38 0.25 -0.55 8.42 7.92 4nosC1 LYS 345 HA 0.05 0.21 0.71 -0.75 4.32 4.54 4nosC1 LYS 345 HB2 -0.08 0.01 -0.10 -0.04 1.87 1.66 4nosC1 LYS 345 HB3 -0.14 0.01 -0.18 -0.04 1.79 1.43 4nosC1 LYS 345 HG2 -0.83 -0.01 -0.20 -0.04 1.46 0.37 4nosC1 LYS 345 HG3 -0.70 -0.02 -0.31 -0.04 1.46 0.38 4nosC1 LYS 345 HD2 -0.07 -0.00 -0.19 -0.04 1.69 1.39 4nosC1 LYS 345 HD3 -0.11 0.01 -0.17 -0.04 1.68 1.37 4nosC1 LYS 345 HE2 -0.07 -0.02 -0.09 -0.04 2.99 2.77 4nosC1 LYS 345 HE3 -0.12 0.00 -0.09 -0.04 2.99 2.75 4nosC1 TRP 346 H 0.17 0.49 0.29 -0.55 7.97 8.37 4nosC1 TRP 346 HA 0.20 0.10 0.56 -0.75 4.62 4.73 4nosC1 TRP 346 HB2 -0.12 -0.02 -0.24 -0.04 3.23 2.81 4nosC1 TRP 346 HB3 -0.07 0.04 -0.07 -0.04 3.23 3.10 4nosC1 TRP 346 HD1 -0.67 0.23 -0.03 -0.04 7.22 6.71 4nosC1 TRP 346 HE1 -0.49 0.01 -0.02 -0.04 10.20 9.65 4nosC1 TRP 346 HE3 0.12 0.25 0.16 -0.04 7.59 8.07 4nosC1 TRP 346 HZ2 0.12 0.00 0.03 -0.04 7.44 7.55 4nosC1 TRP 346 HZ3 -0.07 0.05 0.03 -0.04 7.13 7.09 4nosC1 TRP 346 HH2 0.44 -0.02 0.05 -0.04 7.19 7.62 4nosC1 TYR 347 H -1.14 0.10 0.09 -0.55 8.29 6.79 4nosC1 TYR 347 HA -0.01 0.22 0.85 -0.75 4.56 4.87 4nosC1 TYR 347 HB2 -0.09 0.01 -0.02 -0.04 3.06 2.92 4nosC1 TYR 347 HB3 -0.26 0.00 -0.03 -0.04 2.98 2.65 4nosC1 TYR 347 HD2 -0.75 0.03 -0.22 -0.04 7.15 6.17 4nosC1 TYR 347 HE2 -0.61 -0.07 -0.01 -0.04 6.85 6.11 4nosC1 ALA 348 H 0.17 0.66 0.22 -0.55 8.40 8.90 4nosC1 ALA 348 HA 0.54 0.07 0.34 -0.75 4.34 4.52 4nosC1 ALA 348 HB3 0.08 0.01 -0.00 -0.04 1.41 1.46 4nosC1 LEU 349 H 0.30 0.06 -0.12 -0.55 8.37 8.06 4nosC1 LEU 349 HA 0.17 0.31 0.85 -0.75 4.35 4.93 4nosC1 LEU 349 HB2 0.11 -0.00 0.02 -0.04 1.64 1.72 4nosC1 LEU 349 HB3 0.05 -0.09 0.10 -0.04 1.64 1.66 4nosC1 LEU 349 HG 0.02 -0.03 -0.29 -0.04 1.64 1.30 4nosC1 LEU 349 HD13 0.13 0.04 -0.10 -0.04 0.93 0.96 4nosC1 LEU 349 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.81 4nosC1 PRO 350 HA 0.02 0.07 0.70 -0.51 4.44 4.72 4nosC1 PRO 350 HB2 -0.36 -0.00 -0.05 -0.04 2.28 1.83 4nosC1 PRO 350 HB3 -1.41 -0.02 -0.04 -0.04 2.02 0.51 4nosC1 PRO 350 HG2 -0.19 -0.07 -0.10 -0.04 2.03 1.62 4nosC1 PRO 350 HG3 -0.45 -0.07 -0.50 -0.04 2.03 0.97 4nosC1 PRO 350 HD2 0.04 0.33 0.31 -0.04 3.68 4.31 4nosC1 PRO 350 HD3 -0.04 0.27 0.06 -0.04 3.65 3.90 4nosC1 ALA 351 H -0.07 0.20 0.09 -0.55 8.40 8.07 4nosC1 ALA 351 HA -0.16 0.39 1.14 -0.75 4.34 4.96 4nosC1 ALA 351 HB3 -0.18 -0.03 -0.06 -0.04 1.41 1.10 4nosC1 VAL 352 H -0.47 0.50 0.28 -0.55 8.24 8.00 4nosC1 VAL 352 HA -0.24 0.15 0.84 -0.75 4.13 4.14 4nosC1 VAL 352 HB -1.30 0.03 0.16 -0.04 2.12 0.97 4nosC1 VAL 352 HG13 -0.28 -0.00 -0.13 -0.04 0.97 0.51 4nosC1 VAL 352 HG23 -0.05 -0.01 -0.05 -0.04 0.95 0.80 4nosC1 ALA 353 H -0.19 0.81 0.35 -0.55 8.40 8.82 4nosC1 ALA 353 HA -0.20 0.09 0.82 -0.75 4.34 4.30 4nosC1 ALA 353 HB3 -0.08 -0.01 -0.26 -0.04 1.41 1.02 4nosC1 ASN 354 H -0.09 0.10 0.09 -0.55 8.53 8.09 4nosC1 ASN 354 HA 0.03 0.32 0.85 -0.75 4.76 5.21 4nosC1 ASN 354 HB2 -0.02 -0.04 0.13 -0.04 2.88 2.92 4nosC1 ASN 354 HB3 0.00 0.18 -0.16 -0.04 2.79 2.77 4nosC1 ASN 354 HD21 0.00 -0.06 0.04 -0.04 7.03 6.97 4nosC1 ASN 354 HD22 -0.02 0.01 -0.04 -0.04 7.74 7.64 4nosC1 MET 355 H -0.03 0.06 -0.32 -0.55 8.47 7.64 4nosC1 MET 355 HA 0.12 0.21 0.94 -0.75 4.52 5.04 4nosC1 MET 355 HB2 0.17 -0.06 -0.12 -0.04 2.15 2.10 4nosC1 MET 355 HB3 0.21 0.12 -0.08 -0.04 2.03 2.24 4nosC1 MET 355 HG2 0.15 0.08 -0.10 -0.04 2.63 2.72 4nosC1 MET 355 HG3 0.08 -0.18 -0.22 -0.04 2.56 2.20 4nosC1 MET 355 HE3 -0.31 0.01 -0.38 -0.04 2.10 1.38 4nosC1 LEU 356 H 0.20 0.58 0.15 -0.55 8.37 8.75 4nosC1 LEU 356 HA 0.20 0.30 0.78 -0.75 4.35 4.89 4nosC1 LEU 356 HB2 0.12 0.04 -0.14 -0.04 1.64 1.62 4nosC1 LEU 356 HB3 0.19 -0.02 0.03 -0.04 1.64 1.80 4nosC1 LEU 356 HG 0.13 -0.08 -0.44 -0.04 1.64 1.21 4nosC1 LEU 356 HD13 0.03 0.01 -0.14 -0.04 0.93 0.79 4nosC1 LEU 356 HD23 0.10 -0.02 -0.45 -0.04 0.89 0.48 4nosC1 LEU 357 H 0.25 0.43 0.18 -0.55 8.37 8.68 4nosC1 LEU 357 HA 0.00 0.22 0.81 -0.75 4.35 4.62 4nosC1 LEU 357 HB2 0.12 0.04 -0.02 -0.04 1.64 1.74 4nosC1 LEU 357 HB3 0.13 -0.00 0.12 -0.04 1.64 1.85 4nosC1 LEU 357 HG 0.00 -0.09 -0.40 -0.04 1.64 1.12 4nosC1 LEU 357 HD13 -0.35 0.02 -0.15 -0.04 0.93 0.41 4nosC1 LEU 357 HD23 -0.23 -0.01 -0.14 -0.04 0.89 0.46 4nosC1 GLU 358 H 0.07 0.59 0.36 -0.55 8.60 9.07 4nosC1 GLU 358 HA 0.14 0.34 0.92 -0.75 4.29 4.93 4nosC1 GLU 358 HB2 0.26 0.03 -0.06 -0.04 2.09 2.28 4nosC1 GLU 358 HB3 0.37 -0.04 0.16 -0.04 1.99 2.44 4nosC1 GLU 358 HG2 0.06 0.17 -0.07 -0.04 2.34 2.45 4nosC1 GLU 358 HG3 0.05 0.01 -0.08 -0.04 2.34 2.28 4nosC1 VAL 359 H 0.08 0.69 0.11 -0.55 8.24 8.57 4nosC1 VAL 359 HA 0.05 0.10 0.67 -0.75 4.13 4.19 4nosC1 VAL 359 HB -0.08 -0.04 -0.07 -0.04 2.12 1.89 4nosC1 VAL 359 HG13 -0.56 0.00 -0.07 -0.04 0.97 0.31 4nosC1 VAL 359 HG23 -0.00 0.04 -0.37 -0.04 0.95 0.58 4nosC1 GLY 360 H 0.16 0.19 0.04 -0.55 8.43 8.27 4nosC1 GLY 360 HA2 0.20 0.18 0.19 -0.51 4.01 4.07 4nosC1 GLY 360 HA3 0.23 0.01 0.31 -0.51 4.01 4.06 4nosC1 GLY 361 H 0.09 0.07 -0.39 -0.55 8.43 7.66 4nosC1 GLY 361 HA2 0.04 0.00 0.29 -0.51 4.01 3.84 4nosC1 GLY 361 HA3 0.09 0.15 0.64 -0.51 4.01 4.38 4nosC1 LEU 362 H 0.03 0.49 -0.45 -0.55 8.37 7.89 4nosC1 LEU 362 HA -0.15 0.08 0.53 -0.75 4.35 4.06 4nosC1 LEU 362 HB2 -0.11 0.20 0.09 -0.04 1.64 1.78 4nosC1 LEU 362 HB3 -0.49 -0.04 -0.09 -0.04 1.64 0.98 4nosC1 LEU 362 HG -0.47 0.01 0.05 -0.04 1.64 1.19 4nosC1 LEU 362 HD13 -0.15 0.02 -0.01 -0.04 0.93 0.75 4nosC1 LEU 362 HD23 -0.69 -0.01 -0.11 -0.04 0.89 0.04 4nosC1 GLU 363 H -0.28 0.23 0.24 -0.55 8.60 8.24 4nosC1 GLU 363 HA 0.02 0.28 0.98 -0.75 4.29 4.81 4nosC1 GLU 363 HB2 -0.08 -0.05 0.15 -0.04 2.09 2.06 4nosC1 GLU 363 HB3 -0.02 0.03 -0.06 -0.04 1.99 1.90 4nosC1 GLU 363 HG2 -0.04 0.02 -0.12 -0.04 2.34 2.17 4nosC1 GLU 363 HG3 -0.05 0.08 -0.41 -0.04 2.34 1.92 4nosC1 PHE 364 H 0.26 0.81 0.19 -0.55 8.34 9.04 4nosC1 PHE 364 HA 0.04 0.14 0.92 -0.75 4.62 4.97 4nosC1 PHE 364 HB2 0.04 -0.03 0.20 -0.04 3.15 3.32 4nosC1 PHE 364 HB3 0.04 0.10 0.04 -0.04 3.06 3.20 4nosC1 PHE 364 HD2 -0.04 0.23 -0.21 -0.04 7.28 7.22 4nosC1 PHE 364 HE2 -0.13 -0.03 -0.08 -0.04 7.38 7.09 4nosC1 PHE 364 HZ -0.17 -0.09 -0.04 -0.04 7.32 6.98 4nosC1 PRO 365 HA 0.15 0.11 0.44 -0.51 4.44 4.63 4nosC1 PRO 365 HB2 0.11 0.03 -0.02 -0.04 2.28 2.37 4nosC1 PRO 365 HB3 0.08 0.02 -0.01 -0.04 2.02 2.07 4nosC1 PRO 365 HG2 0.17 0.11 0.01 -0.04 2.03 2.27 4nosC1 PRO 365 HG3 0.09 -0.08 -0.01 -0.04 2.03 1.98 4nosC1 PRO 365 HD2 0.06 0.14 0.22 -0.04 3.68 4.06 4nosC1 PRO 365 HD3 0.04 0.07 -0.19 -0.04 3.65 3.53 4nosC1 GLY 366 H 0.28 0.08 -0.63 -0.55 8.43 7.61 4nosC1 GLY 366 HA2 0.25 0.13 0.89 -0.51 4.01 4.77 4nosC1 GLY 366 HA3 0.39 -0.02 0.27 -0.51 4.01 4.14 4nosC1 CYS 367 H 0.17 0.25 0.03 -0.55 8.50 8.40 4nosC1 CYS 367 HA 0.02 0.39 0.71 -0.75 4.58 4.95 4nosC1 CYS 367 HB2 0.13 -0.07 0.06 -0.04 2.97 3.06 4nosC1 CYS 367 HB3 0.11 0.02 -0.08 -0.04 2.97 2.98 4nosC1 PRO 368 HA -0.27 0.29 0.53 -0.51 4.44 4.48 4nosC1 PRO 368 HB2 -0.17 -0.03 -0.03 -0.04 2.28 2.02 4nosC1 PRO 368 HB3 -0.07 -0.03 0.12 -0.04 2.02 2.00 4nosC1 PRO 368 HG2 0.04 -0.05 0.08 -0.04 2.03 2.06 4nosC1 PRO 368 HG3 0.18 -0.04 0.03 -0.04 2.03 2.15 4nosC1 PRO 368 HD2 0.06 0.27 0.07 -0.04 3.68 4.04 4nosC1 PRO 368 HD3 0.23 0.07 0.17 -0.04 3.65 4.08 4nosC1 PHE 369 H -0.71 0.51 0.40 -0.55 8.34 7.98 4nosC1 PHE 369 HA 0.03 0.29 0.93 -0.75 4.62 5.12 4nosC1 PHE 369 HB2 -0.39 -0.00 0.15 -0.04 3.15 2.87 4nosC1 PHE 369 HB3 -0.27 0.05 0.09 -0.04 3.06 2.89 4nosC1 PHE 369 HD2 -0.38 0.12 -0.15 -0.04 7.28 6.83 4nosC1 PHE 369 HE2 -0.39 -0.04 -0.11 -0.04 7.38 6.80 4nosC1 PHE 369 HZ -0.37 -0.02 -0.09 -0.04 7.32 6.80 4nosC1 ASN 370 H 0.05 0.52 0.41 -0.55 8.53 8.96 4nosC1 ASN 370 HA -0.06 0.13 0.77 -0.75 4.76 4.85 4nosC1 ASN 370 HB2 0.00 0.18 0.08 -0.04 2.88 3.10 4nosC1 ASN 370 HB3 0.04 -0.13 -0.16 -0.04 2.79 2.50 4nosC1 ASN 370 HD21 0.15 0.52 0.08 -0.04 7.03 7.75 4nosC1 ASN 370 HD22 0.09 0.30 -0.02 -0.04 7.74 8.06 4nosC1 GLY 371 H -0.12 0.39 0.17 -0.55 8.43 8.33 4nosC1 GLY 371 HA2 -0.31 0.12 0.54 -0.51 4.01 3.86 4nosC1 GLY 371 HA3 -0.41 -0.03 0.36 -0.51 4.01 3.42 4nosC1 TRP 372 H -0.81 0.11 0.12 -0.55 7.97 6.84 4nosC1 TRP 372 HA 0.03 0.30 0.92 -0.75 4.62 5.12 4nosC1 TRP 372 HB2 0.11 0.02 -0.04 -0.04 3.23 3.28 4nosC1 TRP 372 HB3 0.08 0.09 -0.09 -0.04 3.23 3.26 4nosC1 TRP 372 HD1 0.07 0.15 -0.31 -0.04 7.22 7.09 4nosC1 TRP 372 HE1 0.07 -0.07 -0.08 -0.04 10.20 10.08 4nosC1 TRP 372 HE3 0.06 0.06 -0.40 -0.04 7.59 7.28 4nosC1 TRP 372 HZ2 0.07 -0.05 -0.02 -0.04 7.44 7.40 4nosC1 TRP 372 HZ3 0.07 0.05 -0.03 -0.04 7.13 7.18 4nosC1 TRP 372 HH2 0.07 0.01 0.01 -0.04 7.19 7.23 4nosC1 TYR 373 H 0.43 0.31 0.12 -0.55 8.29 8.60 4nosC1 TYR 373 HA 0.09 0.09 0.58 -0.75 4.56 4.57 4nosC1 TYR 373 HB2 -0.00 0.18 0.13 -0.04 3.06 3.33 4nosC1 TYR 373 HB3 -0.16 -0.11 -0.16 -0.04 2.98 2.51 4nosC1 TYR 373 HD2 0.12 0.05 0.02 -0.04 7.15 7.31 4nosC1 TYR 373 HE2 0.11 0.09 -0.15 -0.04 6.85 6.86 4nosC1 MET 374 H 0.25 0.23 0.23 -0.55 8.47 8.63 4nosC1 MET 374 HA 0.13 0.38 0.86 -0.75 4.52 5.13 4nosC1 MET 374 HB2 0.10 0.11 0.09 -0.04 2.15 2.41 4nosC1 MET 374 HB3 0.06 -0.06 0.19 -0.04 2.03 2.18 4nosC1 MET 374 HG2 0.03 -0.30 -0.01 -0.04 2.63 2.31 4nosC1 MET 374 HG3 0.09 0.16 -0.07 -0.04 2.56 2.69 4nosC1 MET 374 HE3 -0.04 -0.01 0.03 -0.04 2.10 2.05 4nosC1 GLY 375 H -0.02 0.54 0.11 -0.55 8.43 8.52 4nosC1 GLY 375 HA2 -0.26 0.11 0.33 -0.51 4.01 3.67 4nosC1 GLY 375 HA3 -0.11 0.06 0.31 -0.51 4.01 3.75 4nosC1 THR 376 H -0.10 0.11 -0.18 -0.55 8.28 7.57 4nosC1 THR 376 HA -0.20 0.02 0.36 -0.75 4.39 3.81 4nosC1 THR 376 HB -0.23 0.06 0.06 -0.04 4.32 4.17 4nosC1 THR 376 HG23 -0.56 -0.01 0.04 -0.04 1.22 0.65 4nosC1 GLU 377 H -0.12 0.41 -0.26 -0.55 8.60 8.08 4nosC1 GLU 377 HA -0.14 0.05 0.34 -0.75 4.29 3.78 4nosC1 GLU 377 HB2 0.02 0.05 0.15 -0.04 2.09 2.26 4nosC1 GLU 377 HB3 0.05 0.03 0.09 -0.04 1.99 2.12 4nosC1 GLU 377 HG2 -0.01 0.03 0.07 -0.04 2.34 2.39 4nosC1 GLU 377 HG3 0.03 -0.01 0.16 -0.04 2.34 2.48 4nosC1 ILE 378 H -0.45 0.25 -0.15 -0.55 8.25 7.36 4nosC1 ILE 378 HA -1.11 0.06 0.41 -0.75 4.18 2.79 4nosC1 ILE 378 HB -0.63 0.01 0.15 -0.04 1.89 1.38 4nosC1 ILE 378 HG12 -1.52 0.02 -0.03 -0.04 1.49 -0.08 4nosC1 ILE 378 HG13 -1.08 -0.07 0.02 -0.04 1.21 0.05 4nosC1 ILE 378 HG23 -1.30 0.01 -0.13 -0.04 0.93 -0.53 4nosC1 ILE 378 HD13 -0.88 0.03 -0.07 -0.04 0.88 -0.08 4nosC1 GLY 379 H -0.32 0.41 0.05 -0.55 8.43 8.03 4nosC1 GLY 379 HA2 0.10 0.06 0.18 -0.51 4.01 3.85 4nosC1 GLY 379 HA3 -0.05 0.00 0.16 -0.51 4.01 3.61 4nosC1 VAL 380 H -0.17 0.42 -0.06 -0.55 8.24 7.87 4nosC1 VAL 380 HA -0.05 0.10 0.69 -0.75 4.13 4.11 4nosC1 VAL 380 HB -0.15 0.08 0.15 -0.04 2.12 2.16 4nosC1 VAL 380 HG13 -0.10 0.01 -0.11 -0.04 0.97 0.74 4nosC1 VAL 380 HG23 -0.17 -0.05 -0.04 -0.04 0.95 0.66 4nosC1 ARG 381 H -0.17 0.40 0.06 -0.55 8.46 8.20 4nosC1 ARG 381 HA -0.07 0.01 0.42 -0.75 4.34 3.94 4nosC1 ARG 381 HB2 -0.15 0.24 0.34 -0.04 1.90 2.30 4nosC1 ARG 381 HB3 -0.09 -0.01 0.08 -0.04 1.80 1.74 4nosC1 ARG 381 HG2 -0.15 -0.05 0.05 -0.04 1.67 1.48 4nosC1 ARG 381 HG3 -0.16 0.03 0.04 -0.04 1.67 1.55 4nosC1 ARG 381 HD2 -0.09 -0.04 0.01 -0.04 3.22 3.06 4nosC1 ARG 381 HD3 -0.12 -0.02 -0.06 -0.04 3.22 2.98 4nosC1 ASP 382 H -0.34 0.74 0.32 -0.55 8.40 8.57 4nosC1 ASP 382 HA -0.04 -0.02 0.42 -0.75 4.63 4.24 4nosC1 ASP 382 HB2 -1.35 0.09 0.25 -0.04 2.71 1.66 4nosC1 ASP 382 HB3 -1.19 -0.04 0.11 -0.04 2.70 1.54 4nosC1 PHE 383 H -0.23 0.59 -0.13 -0.55 8.34 8.02 4nosC1 PHE 383 HA 0.08 0.10 0.67 -0.75 4.62 4.72 4nosC1 PHE 383 HB2 -0.07 0.17 0.09 -0.04 3.15 3.29 4nosC1 PHE 383 HB3 0.04 -0.10 -0.02 -0.04 3.06 2.94 4nosC1 PHE 383 HD2 -0.07 -0.01 -0.14 -0.04 7.28 7.01 4nosC1 PHE 383 HE2 0.01 0.03 -0.10 -0.04 7.38 7.27 4nosC1 PHE 383 HZ 0.05 0.02 -0.24 -0.04 7.32 7.10 4nosC1 CYS 384 H 0.07 0.36 -0.27 -0.55 8.50 8.11 4nosC1 CYS 384 HA 0.12 -0.05 1.10 -0.75 4.58 5.00 4nosC1 CYS 384 HB2 0.02 0.42 0.27 -0.04 2.97 3.64 4nosC1 CYS 384 HB3 0.03 -0.14 0.13 -0.04 2.97 2.95 4nosC1 ASP 385 H 0.04 0.51 0.13 -0.55 8.40 8.54 4nosC1 ASP 385 HA 0.01 0.02 0.44 -0.75 4.63 4.35 4nosC1 ASP 385 HB2 0.05 0.13 0.12 -0.04 2.71 2.96 4nosC1 ASP 385 HB3 0.03 -0.19 -0.02 -0.04 2.70 2.49 4nosC1 VAL 386 H 0.03 0.12 0.22 -0.55 8.24 8.06 4nosC1 VAL 386 HA 0.05 0.14 0.51 -0.75 4.13 4.08 4nosC1 VAL 386 HB 0.03 -0.03 0.13 -0.04 2.12 2.21 4nosC1 VAL 386 HG13 0.04 0.02 0.03 -0.04 0.97 1.02 4nosC1 VAL 386 HG23 0.04 -0.00 0.10 -0.04 0.95 1.05 4nosC1 GLN 387 H 0.03 -0.02 -0.25 -0.55 8.47 7.69 4nosC1 GLN 387 HA 0.03 0.28 0.79 -0.75 4.36 4.71 4nosC1 GLN 387 HB2 0.03 -0.04 0.04 -0.04 2.15 2.14 4nosC1 GLN 387 HB3 0.04 0.02 0.14 -0.04 2.02 2.18 4nosC1 GLN 387 HG2 0.03 -0.10 -0.09 -0.04 2.40 2.19 4nosC1 GLN 387 HG3 0.03 0.01 -0.01 -0.04 2.39 2.38 4nosC1 GLN 387 HE21 0.03 0.03 -0.05 -0.04 6.97 6.94 4nosC1 GLN 387 HE22 0.03 -0.05 -0.06 -0.04 7.69 7.56 4nosC1 ARG 388 H 0.05 0.31 -0.77 -0.55 8.46 7.51 4nosC1 ARG 388 HA 0.05 0.01 0.71 -0.75 4.34 4.35 4nosC1 ARG 388 HB2 0.12 0.04 0.09 -0.04 1.90 2.12 4nosC1 ARG 388 HB3 0.23 0.07 0.33 -0.04 1.80 2.38 4nosC1 ARG 388 HG2 0.06 -0.17 -0.31 -0.04 1.67 1.22 4nosC1 ARG 388 HG3 0.08 0.05 -0.08 -0.04 1.67 1.67 4nosC1 ARG 388 HD2 0.09 0.20 0.10 -0.04 3.22 3.57 4nosC1 ARG 388 HD3 0.10 -0.02 -0.05 -0.04 3.22 3.21 4nosC1 TYR 389 H 0.39 0.59 0.28 -0.55 8.29 9.00 4nosC1 TYR 389 HA 0.14 0.11 0.37 -0.75 4.56 4.43 4nosC1 TYR 389 HB2 0.36 0.07 0.30 -0.04 3.06 3.75 4nosC1 TYR 389 HB3 0.22 -0.04 0.09 -0.04 2.98 3.21 4nosC1 TYR 389 HD2 0.23 0.09 0.10 -0.04 7.15 7.53 4nosC1 TYR 389 HE2 0.14 -0.05 0.01 -0.04 6.85 6.92 4nosC1 ASN 390 H 0.18 0.07 -0.39 -0.55 8.53 7.85 4nosC1 ASN 390 HA 0.11 -0.04 0.19 -0.75 4.76 4.27 4nosC1 ASN 390 HB2 0.07 0.12 -0.08 -0.04 2.88 2.95 4nosC1 ASN 390 HB3 0.07 0.15 -0.08 -0.04 2.79 2.89 4nosC1 ASN 390 HD21 0.07 -0.11 0.09 -0.04 7.03 7.03 4nosC1 ASN 390 HD22 0.05 0.11 0.11 -0.04 7.74 7.97 4nosC1 ILE 391 H 0.16 0.69 0.18 -0.55 8.25 8.72 4nosC1 ILE 391 HA 0.09 0.25 0.81 -0.75 4.18 4.58 4nosC1 ILE 391 HB 0.01 -0.08 0.10 -0.04 1.89 1.88 4nosC1 ILE 391 HG12 0.13 0.31 -0.05 -0.04 1.49 1.85 4nosC1 ILE 391 HG13 0.11 -0.11 -0.29 -0.04 1.21 0.87 4nosC1 ILE 391 HG23 0.07 0.04 -0.08 -0.04 0.93 0.92 4nosC1 ILE 391 HD13 -0.20 -0.01 -0.07 -0.04 0.88 0.56 4nosC1 LEU 392 H 0.13 0.21 -0.09 -0.55 8.37 8.07 4nosC1 LEU 392 HA 0.19 0.01 0.29 -0.75 4.35 4.09 4nosC1 LEU 392 HB2 0.09 0.12 0.15 -0.04 1.64 1.96 4nosC1 LEU 392 HB3 0.16 -0.01 0.09 -0.04 1.64 1.84 4nosC1 LEU 392 HG -0.08 -0.08 -0.06 -0.04 1.64 1.39 4nosC1 LEU 392 HD13 0.02 0.04 0.04 -0.04 0.93 1.00 4nosC1 LEU 392 HD23 -0.11 0.03 0.03 -0.04 0.89 0.80 4nosC1 GLU 393 H 0.24 0.23 -0.09 -0.55 8.60 8.44 4nosC1 GLU 393 HA 0.29 -0.00 0.39 -0.75 4.29 4.21 4nosC1 GLU 393 HB2 0.20 0.02 0.10 -0.04 2.09 2.36 4nosC1 GLU 393 HB3 0.15 0.07 0.11 -0.04 1.99 2.28 4nosC1 GLU 393 HG2 0.03 0.08 -0.04 -0.04 2.34 2.37 4nosC1 GLU 393 HG3 -0.01 0.03 -0.57 -0.04 2.34 1.75 4nosC1 GLU 394 H 0.09 0.22 -0.24 -0.55 8.60 8.12 4nosC1 GLU 394 HA -0.03 0.04 0.43 -0.75 4.29 3.97 4nosC1 GLU 394 HB2 0.04 0.04 0.15 -0.04 2.09 2.28 4nosC1 GLU 394 HB3 0.04 0.07 0.06 -0.04 1.99 2.11 4nosC1 GLU 394 HG2 -0.03 -0.06 0.08 -0.04 2.34 2.29 4nosC1 GLU 394 HG3 0.00 0.03 0.05 -0.04 2.34 2.39 4nosC1 VAL 395 H 0.13 0.58 -0.01 -0.55 8.24 8.39 4nosC1 VAL 395 HA 0.17 0.06 0.46 -0.75 4.13 4.07 4nosC1 VAL 395 HB 0.24 0.04 0.02 -0.04 2.12 2.38 4nosC1 VAL 395 HG13 0.47 -0.02 -0.17 -0.04 0.97 1.21 4nosC1 VAL 395 HG23 0.20 0.03 -0.04 -0.04 0.95 1.10 4nosC1 GLY 396 H 0.22 0.72 -0.11 -0.55 8.43 8.72 4nosC1 GLY 396 HA2 0.22 -0.02 0.36 -0.51 4.01 4.06 4nosC1 GLY 396 HA3 0.26 0.02 0.24 -0.51 4.01 4.03 4nosC1 ARG 397 H -0.13 0.69 -0.08 -0.55 8.46 8.39 4nosC1 ARG 397 HA -0.23 -0.00 0.40 -0.75 4.34 3.75 4nosC1 ARG 397 HB2 -0.16 0.16 0.21 -0.04 1.90 2.08 4nosC1 ARG 397 HB3 -0.18 -0.02 0.01 -0.04 1.80 1.57 4nosC1 ARG 397 HG2 -0.23 -0.09 0.07 -0.04 1.67 1.38 4nosC1 ARG 397 HG3 -0.21 0.16 0.10 -0.04 1.67 1.68 4nosC1 ARG 397 HD2 -0.11 0.01 -0.02 -0.04 3.22 3.06 4nosC1 ARG 397 HD3 -0.13 0.01 0.01 -0.04 3.22 3.07 4nosC1 ARG 398 H -0.27 0.49 -0.22 -0.55 8.46 7.91 4nosC1 ARG 398 HA -0.58 0.03 0.39 -0.75 4.34 3.43 4nosC1 ARG 398 HB2 -0.73 0.07 0.15 -0.04 1.90 1.35 4nosC1 ARG 398 HB3 -2.50 -0.09 -0.04 -0.04 1.80 -0.88 4nosC1 ARG 398 HG2 -0.54 -0.05 0.02 -0.04 1.67 1.07 4nosC1 ARG 398 HG3 -0.32 0.07 0.06 -0.04 1.67 1.45 4nosC1 ARG 398 HD2 -0.01 0.00 -0.14 -0.04 3.22 3.03 4nosC1 ARG 398 HD3 0.00 -0.06 -0.10 -0.04 3.22 3.02 4nosC1 MET 399 H -0.26 0.46 -0.29 -0.55 8.47 7.84 4nosC1 MET 399 HA -0.30 0.02 0.58 -0.75 4.52 4.06 4nosC1 MET 399 HB2 0.01 0.08 0.12 -0.04 2.15 2.32 4nosC1 MET 399 HB3 0.01 -0.08 0.06 -0.04 2.03 1.98 4nosC1 MET 399 HG2 -0.09 -0.06 -0.01 -0.04 2.63 2.43 4nosC1 MET 399 HG3 0.20 0.17 -0.00 -0.04 2.56 2.89 4nosC1 MET 399 HE3 0.21 0.00 -0.13 -0.04 2.10 2.15 4nosC1 GLY 400 H -0.23 0.38 -0.53 -0.55 8.43 7.50 4nosC1 GLY 400 HA2 -0.15 0.11 0.33 -0.51 4.01 3.79 4nosC1 GLY 400 HA3 -0.12 0.01 0.45 -0.51 4.01 3.85 4nosC1 LEU 401 H -0.10 0.38 -0.01 -0.55 8.37 8.10 4nosC1 LEU 401 HA -0.01 0.18 0.56 -0.75 4.35 4.32 4nosC1 LEU 401 HB2 0.03 -0.08 -0.14 -0.04 1.64 1.41 4nosC1 LEU 401 HB3 0.15 -0.10 0.04 -0.04 1.64 1.69 4nosC1 LEU 401 HG 0.05 0.15 -0.08 -0.04 1.64 1.71 4nosC1 LEU 401 HD13 0.28 -0.05 0.03 -0.04 0.93 1.15 4nosC1 LEU 401 HD23 0.08 0.03 -0.18 -0.04 0.89 0.78 4nosC1 GLU 402 H -0.02 0.17 0.09 -0.55 8.60 8.30 4nosC1 GLU 402 HA -0.13 0.17 0.57 -0.75 4.29 4.15 4nosC1 GLU 402 HB2 -0.08 0.00 0.27 -0.04 2.09 2.25 4nosC1 GLU 402 HB3 -0.46 -0.14 0.20 -0.04 1.99 1.55 4nosC1 GLU 402 HG2 0.01 0.06 0.05 -0.04 2.34 2.41 4nosC1 GLU 402 HG3 -0.02 0.07 0.07 -0.04 2.34 2.42 4nosC1 THR 403 H -0.43 0.51 0.07 -0.55 8.28 7.88 4nosC1 THR 403 HA -2.76 0.01 0.22 -0.75 4.39 1.10 4nosC1 THR 403 HB -1.05 -0.00 0.08 -0.04 4.32 3.31 4nosC1 THR 403 HG23 -0.99 0.06 -0.14 -0.04 1.22 0.11 4nosC1 HIS 404 H -0.32 0.01 -0.52 -0.55 8.41 7.04 4nosC1 HIS 404 HA -0.03 0.22 0.75 -0.75 4.63 4.81 4nosC1 HIS 404 HB2 -0.03 0.03 0.08 -0.04 3.26 3.30 4nosC1 HIS 404 HB3 -0.09 0.03 0.00 -0.04 3.20 3.11 4nosC1 HIS 404 HD2 -0.01 0.01 -0.12 -0.04 6.97 6.80 4nosC1 HIS 404 HE1 -0.07 0.05 0.01 -0.04 7.75 7.70 4nosC1 LYS 405 H -0.37 0.33 -0.15 -0.55 8.42 7.68 4nosC1 LYS 405 HA 0.00 0.19 0.85 -0.75 4.32 4.61 4nosC1 LYS 405 HB2 -0.34 0.03 0.17 -0.04 1.87 1.69 4nosC1 LYS 405 HB3 -0.03 -0.17 0.08 -0.04 1.79 1.63 4nosC1 LYS 405 HG2 -0.01 0.03 0.01 -0.04 1.46 1.44 4nosC1 LYS 405 HG3 -0.14 0.03 -0.07 -0.04 1.46 1.24 4nosC1 LYS 405 HD2 0.01 0.06 -0.02 -0.04 1.69 1.70 4nosC1 LYS 405 HD3 -0.06 0.01 0.01 -0.04 1.68 1.60 4nosC1 LYS 405 HE2 0.00 -0.19 -0.11 -0.04 2.99 2.65 4nosC1 LYS 405 HE3 0.01 0.02 -0.07 -0.04 2.99 2.91 4nosC1 LEU 406 H 0.11 0.29 0.12 -0.55 8.37 8.34 4nosC1 LEU 406 HA 0.15 0.05 0.35 -0.75 4.35 4.15 4nosC1 LEU 406 HB2 0.05 0.01 0.15 -0.04 1.64 1.81 4nosC1 LEU 406 HB3 0.00 0.02 0.00 -0.04 1.64 1.63 4nosC1 LEU 406 HG 0.13 0.06 0.03 -0.04 1.64 1.82 4nosC1 LEU 406 HD13 0.03 0.02 0.02 -0.04 0.93 0.96 4nosC1 LEU 406 HD23 0.00 -0.00 0.01 -0.04 0.89 0.86 4nosC1 ALA 407 H 0.05 0.12 -0.14 -0.55 8.40 7.88 4nosC1 ALA 407 HA 0.01 0.11 0.42 -0.75 4.34 4.13 4nosC1 ALA 407 HB3 0.02 0.03 0.06 -0.04 1.41 1.47 4nosC1 SER 408 H 0.09 0.38 -0.59 -0.55 8.46 7.80 4nosC1 SER 408 HA 0.05 0.14 0.53 -0.75 4.49 4.45 4nosC1 SER 408 HB2 0.08 -0.03 0.17 -0.04 3.95 4.13 4nosC1 SER 408 HB3 0.03 -0.04 0.15 -0.04 3.93 4.03 4nosC1 LEU 409 H 0.02 0.51 -0.31 -0.55 8.37 8.05 4nosC1 LEU 409 HA -0.12 0.03 0.33 -0.75 4.35 3.84 4nosC1 LEU 409 HB2 0.01 0.22 -0.05 -0.04 1.64 1.78 4nosC1 LEU 409 HB3 -0.03 -0.14 0.19 -0.04 1.64 1.62 4nosC1 LEU 409 HG 0.00 0.20 -0.19 -0.04 1.64 1.60 4nosC1 LEU 409 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 4nosC1 LEU 409 HD23 -0.04 0.03 0.05 -0.04 0.89 0.89 4nosC1 TRP 410 H 0.20 0.20 -0.31 -0.55 7.97 7.52 4nosC1 TRP 410 HA 0.01 0.13 0.33 -0.75 4.62 4.34 4nosC1 TRP 410 HB2 -0.01 -0.01 -0.12 -0.04 3.23 3.05 4nosC1 TRP 410 HB3 -0.03 0.04 -0.11 -0.04 3.23 3.09 4nosC1 TRP 410 HD1 -0.06 0.28 -0.01 -0.04 7.22 7.38 4nosC1 TRP 410 HE1 -0.02 0.04 -0.29 -0.04 10.20 9.88 4nosC1 TRP 410 HE3 0.01 -0.06 -0.34 -0.04 7.59 7.16 4nosC1 TRP 410 HZ2 0.01 0.09 -0.02 -0.04 7.44 7.48 4nosC1 TRP 410 HZ3 0.02 0.11 -0.37 -0.04 7.13 6.86 4nosC1 TRP 410 HH2 0.02 -0.03 -0.09 -0.04 7.19 7.04 4nosC1 LYS 411 H -1.09 0.14 -0.22 -0.55 8.42 6.69 4nosC1 LYS 411 HA -0.68 0.08 0.31 -0.75 4.32 3.27 4nosC1 LYS 411 HB2 -0.60 0.01 0.01 -0.04 1.87 1.25 4nosC1 LYS 411 HB3 -0.51 0.05 -0.01 -0.04 1.79 1.28 4nosC1 LYS 411 HG2 -2.33 0.01 -0.03 -0.04 1.46 -0.94 4nosC1 LYS 411 HG3 -2.13 -0.03 0.01 -0.04 1.46 -0.73 4nosC1 LYS 411 HD2 -0.43 0.02 0.00 -0.04 1.69 1.24 4nosC1 LYS 411 HD3 -0.41 0.02 -0.00 -0.04 1.68 1.25 4nosC1 LYS 411 HE2 -0.15 0.00 -0.02 -0.04 2.99 2.79 4nosC1 LYS 411 HE3 -0.18 -0.00 -0.02 -0.04 2.99 2.75 4nosC1 ASP 412 H -0.19 0.22 -0.37 -0.55 8.40 7.51 4nosC1 ASP 412 HA -0.07 0.07 0.52 -0.75 4.63 4.39 4nosC1 ASP 412 HB2 -0.03 0.17 0.04 -0.04 2.71 2.85 4nosC1 ASP 412 HB3 -0.03 -0.02 0.06 -0.04 2.70 2.66 4nosC1 GLN 413 H 0.02 0.37 -0.15 -0.55 8.47 8.17 4nosC1 GLN 413 HA 0.07 0.08 0.52 -0.75 4.36 4.27 4nosC1 GLN 413 HB2 0.14 0.04 0.14 -0.04 2.15 2.44 4nosC1 GLN 413 HB3 0.12 0.00 0.02 -0.04 2.02 2.12 4nosC1 GLN 413 HG2 0.07 -0.03 0.02 -0.04 2.40 2.41 4nosC1 GLN 413 HG3 0.07 0.28 0.09 -0.04 2.39 2.79 4nosC1 GLN 413 HE21 0.07 0.01 -0.01 -0.04 6.97 7.00 4nosC1 GLN 413 HE22 0.07 -0.03 -0.01 -0.04 7.69 7.68 4nosC1 ALA 414 H 0.14 0.58 -0.04 -0.55 8.40 8.53 4nosC1 ALA 414 HA 0.22 0.04 0.35 -0.75 4.34 4.19 4nosC1 ALA 414 HB3 0.24 0.01 0.03 -0.04 1.41 1.65 4nosC1 VAL 415 H 0.02 0.63 -0.13 -0.55 8.24 8.21 4nosC1 VAL 415 HA 0.07 0.02 0.24 -0.75 4.13 3.71 4nosC1 VAL 415 HB -0.03 0.13 0.17 -0.04 2.12 2.34 4nosC1 VAL 415 HG13 -0.03 -0.00 -0.01 -0.04 0.97 0.89 4nosC1 VAL 415 HG23 -0.02 -0.01 -0.00 -0.04 0.95 0.88 4nosC1 VAL 416 H 0.06 0.40 -0.55 -0.55 8.24 7.60 4nosC1 VAL 416 HA 0.05 -0.03 0.41 -0.75 4.13 3.80 4nosC1 VAL 416 HB 0.08 0.22 0.18 -0.04 2.12 2.55 4nosC1 VAL 416 HG13 0.06 -0.03 -0.09 -0.04 0.97 0.87 4nosC1 VAL 416 HG23 0.04 0.05 0.07 -0.04 0.95 1.08 4nosC1 GLU 417 H 0.14 0.53 -0.04 -0.55 8.60 8.68 4nosC1 GLU 417 HA 0.19 0.03 0.49 -0.75 4.29 4.25 4nosC1 GLU 417 HB2 0.26 0.08 0.09 -0.04 2.09 2.48 4nosC1 GLU 417 HB3 0.18 -0.07 0.03 -0.04 1.99 2.09 4nosC1 GLU 417 HG2 0.19 0.27 0.05 -0.04 2.34 2.81 4nosC1 GLU 417 HG3 0.37 -0.01 -0.03 -0.04 2.34 2.63 4nosC1 ILE 418 H 0.16 0.64 -0.15 -0.55 8.25 8.35 4nosC1 ILE 418 HA 0.19 0.05 0.43 -0.75 4.18 4.10 4nosC1 ILE 418 HB 0.16 0.13 0.09 -0.04 1.89 2.23 4nosC1 ILE 418 HG12 0.40 -0.00 -0.05 -0.04 1.49 1.80 4nosC1 ILE 418 HG13 0.32 0.02 -0.06 -0.04 1.21 1.44 4nosC1 ILE 418 HG23 0.25 -0.01 -0.12 -0.04 0.93 1.01 4nosC1 ILE 418 HD13 0.19 -0.01 -0.20 -0.04 0.88 0.81 4nosC1 ASN 419 H 0.06 0.54 -0.23 -0.55 8.53 8.35 4nosC1 ASN 419 HA 0.01 -0.02 0.36 -0.75 4.76 4.35 4nosC1 ASN 419 HB2 0.01 0.20 0.11 -0.04 2.88 3.17 4nosC1 ASN 419 HB3 -0.00 -0.10 -0.04 -0.04 2.79 2.60 4nosC1 ASN 419 HD21 -0.06 -0.07 -0.40 -0.04 7.03 6.47 4nosC1 ASN 419 HD22 0.00 0.61 0.01 -0.04 7.74 8.33 4nosC1 ILE 420 H -0.00 0.33 -0.36 -0.55 8.25 7.66 4nosC1 ILE 420 HA -0.07 -0.00 0.56 -0.75 4.18 3.92 4nosC1 ILE 420 HB -0.08 0.07 0.22 -0.04 1.89 2.07 4nosC1 ILE 420 HG12 -0.04 -0.06 0.04 -0.04 1.49 1.39 4nosC1 ILE 420 HG13 0.01 0.18 0.06 -0.04 1.21 1.42 4nosC1 ILE 420 HG23 -0.41 -0.01 -0.05 -0.04 0.93 0.42 4nosC1 ILE 420 HD13 -0.01 -0.02 -0.04 -0.04 0.88 0.77 4nosC1 ALA 421 H -0.15 0.50 -0.21 -0.55 8.40 7.99 4nosC1 ALA 421 HA -0.30 0.09 0.47 -0.75 4.34 3.85 4nosC1 ALA 421 HB3 -0.49 0.04 0.05 -0.04 1.41 0.97 4nosC1 VAL 422 H 0.02 0.38 -0.19 -0.55 8.24 7.90 4nosC1 VAL 422 HA 0.14 0.05 0.23 -0.75 4.13 3.80 4nosC1 VAL 422 HB -0.06 0.03 0.16 -0.04 2.12 2.21 4nosC1 VAL 422 HG13 -0.27 -0.01 -0.13 -0.04 0.97 0.53 4nosC1 VAL 422 HG23 0.08 0.03 -0.03 -0.04 0.95 0.99 4nosC1 ILE 423 H -0.03 0.45 -0.02 -0.55 8.25 8.10 4nosC1 ILE 423 HA -0.03 0.05 0.47 -0.75 4.18 3.92 4nosC1 ILE 423 HB -0.00 0.05 0.07 -0.04 1.89 1.97 4nosC1 ILE 423 HG12 -0.02 0.25 0.21 -0.04 1.49 1.89 4nosC1 ILE 423 HG13 -0.01 0.08 0.13 -0.04 1.21 1.36 4nosC1 ILE 423 HG23 -0.05 -0.05 -0.06 -0.04 0.93 0.73 4nosC1 ILE 423 HD13 0.02 -0.06 0.03 -0.04 0.88 0.84 4nosC1 HIS 424 H 0.05 0.50 -0.35 -0.55 8.41 8.07 4nosC1 HIS 424 HA -0.05 0.00 0.41 -0.75 4.63 4.24 4nosC1 HIS 424 HB2 -0.17 -0.10 0.10 -0.04 3.26 3.05 4nosC1 HIS 424 HB3 -0.18 0.23 0.24 -0.04 3.20 3.45 4nosC1 HIS 424 HD2 -0.08 -0.02 0.03 -0.04 6.97 6.84 4nosC1 HIS 424 HE1 -0.06 -0.00 -0.30 -0.04 7.75 7.34 4nosC1 SER 425 H 0.05 0.66 0.07 -0.55 8.46 8.69 4nosC1 SER 425 HA -0.23 0.03 0.60 -0.75 4.49 4.13 4nosC1 SER 425 HB2 0.16 0.02 0.14 -0.04 3.95 4.23 4nosC1 SER 425 HB3 0.04 0.16 0.03 -0.04 3.93 4.11 4nosC1 PHE 426 H 0.31 0.48 -0.06 -0.55 8.34 8.52 4nosC1 PHE 426 HA -0.02 0.03 0.33 -0.75 4.62 4.21 4nosC1 PHE 426 HB2 -0.02 -0.03 0.07 -0.04 3.15 3.13 4nosC1 PHE 426 HB3 -0.01 0.29 -0.14 -0.04 3.06 3.15 4nosC1 PHE 426 HD2 0.03 0.19 -0.13 -0.04 7.28 7.33 4nosC1 PHE 426 HE2 0.10 0.02 -0.06 -0.04 7.38 7.40 4nosC1 PHE 426 HZ 0.06 0.08 -0.25 -0.04 7.32 7.17 4nosC1 GLN 427 H 0.06 0.31 -0.30 -0.55 8.47 7.99 4nosC1 GLN 427 HA 0.01 0.08 0.49 -0.75 4.36 4.18 4nosC1 GLN 427 HB2 -0.03 0.10 0.17 -0.04 2.15 2.35 4nosC1 GLN 427 HB3 -0.02 -0.06 0.02 -0.04 2.02 1.92 4nosC1 GLN 427 HG2 0.00 -0.04 0.06 -0.04 2.40 2.38 4nosC1 GLN 427 HG3 0.03 0.17 0.16 -0.04 2.39 2.71 4nosC1 GLN 427 HE21 0.00 -0.10 -0.01 -0.04 6.97 6.81 4nosC1 GLN 427 HE22 0.00 -0.04 0.02 -0.04 7.69 7.63 4nosC1 LYS 428 H -0.16 0.42 -0.24 -0.55 8.42 7.88 4nosC1 LYS 428 HA -0.10 0.01 0.48 -0.75 4.32 3.95 4nosC1 LYS 428 HB2 -0.40 0.05 0.16 -0.04 1.87 1.63 4nosC1 LYS 428 HB3 -0.22 0.15 0.18 -0.04 1.79 1.85 4nosC1 LYS 428 HG2 -0.09 0.01 -0.15 -0.04 1.46 1.19 4nosC1 LYS 428 HG3 -0.09 -0.05 0.08 -0.04 1.46 1.36 4nosC1 LYS 428 HD2 -0.13 -0.03 -0.03 -0.04 1.69 1.45 4nosC1 LYS 428 HD3 -0.14 0.01 -0.03 -0.04 1.68 1.48 4nosC1 LYS 428 HE2 -0.03 0.01 -0.04 -0.04 2.99 2.88 4nosC1 LYS 428 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.90 4nosC1 GLN 429 H -0.09 0.35 -0.28 -0.55 8.47 7.90 4nosC1 GLN 429 HA -0.07 0.10 0.70 -0.75 4.36 4.34 4nosC1 GLN 429 HB2 -0.15 0.01 0.03 -0.04 2.15 1.99 4nosC1 GLN 429 HB3 -0.10 -0.03 0.16 -0.04 2.02 2.02 4nosC1 GLN 429 HG2 -0.13 0.40 0.11 -0.04 2.40 2.74 4nosC1 GLN 429 HG3 -0.13 -0.13 0.09 -0.04 2.39 2.18 4nosC1 GLN 429 HE21 -0.06 -0.05 -0.04 -0.04 6.97 6.78 4nosC1 GLN 429 HE22 -0.08 0.08 0.04 -0.04 7.69 7.69 4nosC1 ASN 430 H -0.05 0.26 -0.65 -0.55 8.53 7.54 4nosC1 ASN 430 HA -0.03 0.02 0.30 -0.75 4.76 4.30 4nosC1 ASN 430 HB2 -0.04 0.17 -0.08 -0.04 2.88 2.89 4nosC1 ASN 430 HB3 -0.03 -0.07 0.18 -0.04 2.79 2.82 4nosC1 ASN 430 HD21 -0.03 -0.07 0.01 -0.04 7.03 6.90 4nosC1 ASN 430 HD22 -0.03 -0.03 0.04 -0.04 7.74 7.67 4nosC1 VAL 431 H -0.02 0.64 -0.02 -0.55 8.24 8.30 4nosC1 VAL 431 HA 0.01 0.30 0.99 -0.75 4.13 4.67 4nosC1 VAL 431 HB -0.18 -0.11 0.08 -0.04 2.12 1.87 4nosC1 VAL 431 HG13 0.06 0.01 0.01 -0.04 0.97 1.01 4nosC1 VAL 431 HG23 -0.16 -0.01 -0.16 -0.04 0.95 0.57 4nosC1 THR 432 H 0.04 0.55 0.35 -0.55 8.28 8.67 4nosC1 THR 432 HA -0.08 0.01 0.44 -0.75 4.39 4.00 4nosC1 THR 432 HB -0.01 -0.05 0.15 -0.04 4.32 4.36 4nosC1 THR 432 HG23 -0.92 -0.01 -0.05 -0.04 1.22 0.19 4nosC1 ILE 433 H -0.11 0.32 0.22 -0.55 8.25 8.13 4nosC1 ILE 433 HA 0.12 0.14 0.38 -0.75 4.18 4.06 4nosC1 ILE 433 HB -0.11 0.24 -0.07 -0.04 1.89 1.91 4nosC1 ILE 433 HG12 -0.15 -0.17 -0.20 -0.04 1.49 0.93 4nosC1 ILE 433 HG13 -0.13 0.01 -0.18 -0.04 1.21 0.87 4nosC1 ILE 433 HG23 0.01 -0.00 -0.12 -0.04 0.93 0.77 4nosC1 ILE 433 HD13 -0.97 -0.01 -0.15 -0.04 0.88 -0.28 4nosC1 MET 434 H 0.14 0.56 0.28 -0.55 8.47 8.90 4nosC1 MET 434 HA 0.03 0.20 0.97 -0.75 4.52 4.97 4nosC1 MET 434 HB2 0.20 0.10 -0.02 -0.04 2.15 2.39 4nosC1 MET 434 HB3 0.26 -0.01 0.11 -0.04 2.03 2.35 4nosC1 MET 434 HG2 0.11 0.07 -0.10 -0.04 2.63 2.66 4nosC1 MET 434 HG3 0.08 -0.03 0.12 -0.04 2.56 2.69 4nosC1 MET 434 HE3 0.10 0.02 -0.03 -0.04 2.10 2.14 4nosC1 ASP 435 H 0.03 0.23 0.18 -0.55 8.40 8.29 4nosC1 ASP 435 HA 0.05 0.01 0.62 -0.75 4.63 4.56 4nosC1 ASP 435 HB2 -0.01 0.01 0.16 -0.04 2.71 2.83 4nosC1 ASP 435 HB3 0.02 0.16 0.15 -0.04 2.70 2.98 4nosC1 HIS 436 H 0.23 0.14 0.22 -0.55 8.41 8.46 4nosC1 HIS 436 HA -0.05 0.13 0.51 -0.75 4.63 4.46 4nosC1 HIS 436 HB2 -0.17 0.14 0.11 -0.04 3.26 3.31 4nosC1 HIS 436 HB3 -0.13 -0.05 0.18 -0.04 3.20 3.15 4nosC1 HIS 436 HD2 -0.31 0.15 -0.09 -0.04 6.97 6.67 4nosC1 HIS 436 HE1 -0.11 0.06 -0.02 -0.04 7.75 7.63 4nosC1 HIS 437 H -0.59 0.06 -0.16 -0.55 8.41 7.18 4nosC1 HIS 437 HA -0.07 0.15 0.42 -0.75 4.63 4.37 4nosC1 HIS 437 HB2 -0.13 -0.05 0.08 -0.04 3.26 3.12 4nosC1 HIS 437 HB3 -0.08 0.12 0.03 -0.04 3.20 3.22 4nosC1 HIS 437 HD2 -0.27 -0.02 0.03 -0.04 6.97 6.67 4nosC1 HIS 437 HE1 -0.04 0.03 -0.06 -0.04 7.75 7.64 4nosC1 SER 438 H 0.05 0.03 -0.11 -0.55 8.46 7.89 4nosC1 SER 438 HA 0.07 0.11 0.44 -0.75 4.49 4.36 4nosC1 SER 438 HB2 0.06 -0.00 0.14 -0.04 3.95 4.10 4nosC1 SER 438 HB3 0.06 0.09 0.02 -0.04 3.93 4.06 4nosC1 ALA 439 H 0.07 0.56 -0.11 -0.55 8.40 8.37 4nosC1 ALA 439 HA 0.14 0.07 0.44 -0.75 4.34 4.23 4nosC1 ALA 439 HB3 0.10 0.01 0.04 -0.04 1.41 1.52 4nosC1 ALA 440 H 0.08 0.61 -0.10 -0.55 8.40 8.43 4nosC1 ALA 440 HA 0.13 0.06 0.39 -0.75 4.34 4.17 4nosC1 ALA 440 HB3 0.08 -0.01 0.23 -0.04 1.41 1.66 4nosC1 GLU 441 H 0.11 0.55 -0.16 -0.55 8.60 8.55 4nosC1 GLU 441 HA 0.12 -0.00 0.43 -0.75 4.29 4.09 4nosC1 GLU 441 HB2 0.08 0.04 0.19 -0.04 2.09 2.36 4nosC1 GLU 441 HB3 0.07 -0.02 0.04 -0.04 1.99 2.04 4nosC1 GLU 441 HG2 0.09 -0.04 0.06 -0.04 2.34 2.41 4nosC1 GLU 441 HG3 0.09 0.12 0.11 -0.04 2.34 2.63 4nosC1 SER 442 H 0.13 0.54 -0.19 -0.55 8.46 8.39 4nosC1 SER 442 HA 0.09 0.02 0.56 -0.75 4.49 4.40 4nosC1 SER 442 HB2 0.10 -0.06 0.11 -0.04 3.95 4.06 4nosC1 SER 442 HB3 0.11 0.02 0.15 -0.04 3.93 4.17 4nosC1 PHE 443 H 0.27 0.66 0.01 -0.55 8.34 8.72 4nosC1 PHE 443 HA 0.15 -0.02 0.34 -0.75 4.62 4.34 4nosC1 PHE 443 HB2 0.08 0.12 0.20 -0.04 3.15 3.51 4nosC1 PHE 443 HB3 0.09 0.07 0.19 -0.04 3.06 3.37 4nosC1 PHE 443 HD2 0.09 0.02 -0.07 -0.04 7.28 7.28 4nosC1 PHE 443 HE2 0.15 0.08 -0.07 -0.04 7.38 7.50 4nosC1 PHE 443 HZ 0.10 0.07 -0.09 -0.04 7.32 7.36 4nosC1 MET 444 H 0.22 0.45 -0.29 -0.55 8.47 8.30 4nosC1 MET 444 HA 0.10 0.01 0.34 -0.75 4.52 4.21 4nosC1 MET 444 HB2 0.12 0.17 0.10 -0.04 2.15 2.50 4nosC1 MET 444 HB3 0.12 -0.05 -0.02 -0.04 2.03 2.05 4nosC1 MET 444 HG2 0.23 0.21 0.02 -0.04 2.63 3.04 4nosC1 MET 444 HG3 0.17 -0.07 -0.07 -0.04 2.56 2.55 4nosC1 MET 444 HE3 0.19 -0.01 -0.05 -0.04 2.10 2.18 4nosC1 LYS 445 H 0.06 0.42 -0.21 -0.55 8.42 8.13 4nosC1 LYS 445 HA 0.04 0.03 0.57 -0.75 4.32 4.21 4nosC1 LYS 445 HB2 0.05 0.02 0.15 -0.04 1.87 2.05 4nosC1 LYS 445 HB3 0.06 0.09 0.15 -0.04 1.79 2.05 4nosC1 LYS 445 HG2 0.04 -0.01 0.02 -0.04 1.46 1.47 4nosC1 LYS 445 HG3 0.03 -0.01 -0.04 -0.04 1.46 1.40 4nosC1 LYS 445 HD2 0.04 -0.00 0.07 -0.04 1.69 1.76 4nosC1 LYS 445 HD3 0.03 -0.01 0.03 -0.04 1.68 1.69 4nosC1 LYS 445 HE2 0.03 -0.01 0.01 -0.04 2.99 2.98 4nosC1 LYS 445 HE3 0.02 0.01 0.01 -0.04 2.99 3.00 4nosC1 TYR 446 H 0.04 0.52 -0.09 -0.55 8.29 8.21 4nosC1 TYR 446 HA -0.09 0.02 0.39 -0.75 4.56 4.13 4nosC1 TYR 446 HB2 -0.12 -0.08 0.03 -0.04 3.06 2.85 4nosC1 TYR 446 HB3 -0.40 0.20 0.21 -0.04 2.98 2.95 4nosC1 TYR 446 HD2 -0.45 -0.00 -0.04 -0.04 7.15 6.62 4nosC1 TYR 446 HE2 -0.28 0.05 -0.04 -0.04 6.85 6.54 4nosC1 MET 447 H -0.48 0.67 -0.04 -0.55 8.47 8.07 4nosC1 MET 447 HA -0.72 0.04 0.30 -0.75 4.52 3.38 4nosC1 MET 447 HB2 -0.58 0.07 0.05 -0.04 2.15 1.65 4nosC1 MET 447 HB3 -0.10 0.06 0.05 -0.04 2.03 2.00 4nosC1 MET 447 HG2 -0.17 -0.05 -0.19 -0.04 2.63 2.17 4nosC1 MET 447 HG3 -0.09 0.01 -0.03 -0.04 2.56 2.41 4nosC1 MET 447 HE3 0.31 0.04 -0.06 -0.04 2.10 2.34 4nosC1 GLN 448 H -0.07 0.40 -0.35 -0.55 8.47 7.90 4nosC1 GLN 448 HA -0.07 -0.02 0.32 -0.75 4.36 3.83 4nosC1 GLN 448 HB2 0.18 0.10 0.14 -0.04 2.15 2.53 4nosC1 GLN 448 HB3 0.05 0.11 0.11 -0.04 2.02 2.24 4nosC1 GLN 448 HG2 0.16 -0.02 -0.02 -0.04 2.40 2.47 4nosC1 GLN 448 HG3 0.35 -0.04 0.01 -0.04 2.39 2.66 4nosC1 GLN 448 HE21 0.05 -0.04 -0.00 -0.04 6.97 6.93 4nosC1 GLN 448 HE22 0.08 0.07 0.02 -0.04 7.69 7.82 4nosC1 ASN 449 H -0.12 0.57 -0.16 -0.55 8.53 8.27 4nosC1 ASN 449 HA -0.04 -0.03 0.46 -0.75 4.76 4.40 4nosC1 ASN 449 HB2 -0.08 0.22 0.26 -0.04 2.88 3.24 4nosC1 ASN 449 HB3 0.01 -0.07 0.05 -0.04 2.79 2.74 4nosC1 ASN 449 HD21 0.04 -0.08 -0.04 -0.04 7.03 6.90 4nosC1 ASN 449 HD22 0.08 -0.01 -0.01 -0.04 7.74 7.76 4nosC1 GLU 450 H -0.44 0.65 -0.10 -0.55 8.60 8.17 4nosC1 GLU 450 HA -0.31 -0.02 0.41 -0.75 4.29 3.62 4nosC1 GLU 450 HB2 -0.69 0.10 0.15 -0.04 2.09 1.61 4nosC1 GLU 450 HB3 -0.61 0.28 0.08 -0.04 1.99 1.70 4nosC1 GLU 450 HG2 -1.11 0.10 -0.01 -0.04 2.34 1.27 4nosC1 GLU 450 HG3 -1.23 -0.02 -0.04 -0.04 2.34 1.01 4nosC1 TYR 451 H -0.33 0.59 -0.09 -0.55 8.29 7.91 4nosC1 TYR 451 HA -0.21 -0.20 0.48 -0.75 4.56 3.87 4nosC1 TYR 451 HB2 -0.71 0.15 0.10 -0.04 3.06 2.56 4nosC1 TYR 451 HB3 -0.22 -0.03 0.01 -0.04 2.98 2.70 4nosC1 TYR 451 HD2 -0.67 0.18 -0.19 -0.04 7.15 6.43 4nosC1 TYR 451 HE2 -0.16 0.01 -0.18 -0.04 6.85 6.48 4nosC1 ARG 452 H -0.06 0.41 -0.34 -0.55 8.46 7.92 4nosC1 ARG 452 HA 0.02 0.03 0.49 -0.75 4.34 4.12 4nosC1 ARG 452 HB2 0.02 -0.00 0.12 -0.04 1.90 2.00 4nosC1 ARG 452 HB3 -0.02 0.16 0.19 -0.04 1.80 2.09 4nosC1 ARG 452 HG2 0.01 0.02 -0.10 -0.04 1.67 1.56 4nosC1 ARG 452 HG3 0.02 -0.06 0.06 -0.04 1.67 1.64 4nosC1 ARG 452 HD2 0.01 0.01 -0.00 -0.04 3.22 3.20 4nosC1 ARG 452 HD3 0.01 -0.06 0.00 -0.04 3.22 3.13 4nosC1 SER 453 H -0.08 0.46 0.02 -0.55 8.46 8.32 4nosC1 SER 453 HA -0.02 0.09 0.65 -0.75 4.49 4.45 4nosC1 SER 453 HB2 -0.01 -0.02 0.04 -0.04 3.95 3.92 4nosC1 SER 453 HB3 -0.00 -0.06 0.09 -0.04 3.93 3.93 4nosC1 ARG 454 H -0.15 0.67 0.18 -0.55 8.46 8.61 4nosC1 ARG 454 HA -0.05 0.28 1.05 -0.75 4.34 4.86 4nosC1 ARG 454 HB2 -0.09 -0.05 0.12 -0.04 1.90 1.84 4nosC1 ARG 454 HB3 -0.09 0.02 -0.09 -0.04 1.80 1.60 4nosC1 ARG 454 HG2 -0.21 -0.03 0.07 -0.04 1.67 1.47 4nosC1 ARG 454 HG3 -0.24 0.07 -0.03 -0.04 1.67 1.42 4nosC1 ARG 454 HD2 -0.13 -0.05 -0.08 -0.04 3.22 2.92 4nosC1 ARG 454 HD3 -0.18 -0.01 -0.05 -0.04 3.22 2.94 4nosC1 GLY 455 H -0.09 0.32 -0.10 -0.55 8.43 8.02 4nosC1 GLY 455 HA2 0.05 0.20 0.47 -0.51 4.01 4.22 4nosC1 GLY 455 HA3 0.01 0.01 0.48 -0.51 4.01 4.00 4nosC1 GLY 456 H -0.48 0.35 -0.22 -0.55 8.43 7.53 4nosC1 GLY 456 HA2 -0.64 -0.03 0.31 -0.51 4.01 3.15 4nosC1 GLY 456 HA3 -0.13 0.00 0.29 -0.51 4.01 3.66 4nosC1 CYS 457 H -0.22 0.10 -0.14 -0.55 8.50 7.69 4nosC1 CYS 457 HA -0.35 0.20 0.43 -0.75 4.58 4.10 4nosC1 CYS 457 HB2 -0.72 0.09 -0.18 -0.04 2.97 2.13 4nosC1 CYS 457 HB3 -0.34 -0.11 -0.03 -0.04 2.97 2.44 4nosC1 PRO 458 HA -0.57 0.22 0.66 -0.51 4.44 4.24 4nosC1 PRO 458 HB2 -0.36 0.04 0.11 -0.04 2.28 2.03 4nosC1 PRO 458 HB3 -1.39 -0.03 0.13 -0.04 2.02 0.69 4nosC1 PRO 458 HG2 -0.21 0.11 0.05 -0.04 2.03 1.93 4nosC1 PRO 458 HG3 -0.30 0.05 0.05 -0.04 2.03 1.79 4nosC1 PRO 458 HD2 -0.27 0.16 0.06 -0.04 3.68 3.59 4nosC1 PRO 458 HD3 -0.44 0.04 -0.04 -0.04 3.65 3.17 4nosC1 ALA 459 H -0.01 0.55 0.35 -0.55 8.40 8.74 4nosC1 ALA 459 HA 0.08 0.30 0.79 -0.75 4.34 4.75 4nosC1 ALA 459 HB3 0.22 -0.01 -0.12 -0.04 1.41 1.46 4nosC1 ASP 460 H 0.06 0.76 0.09 -0.55 8.40 8.77 4nosC1 ASP 460 HA 0.15 0.10 0.82 -0.75 4.63 4.94 4nosC1 ASP 460 HB2 0.03 0.04 -0.12 -0.04 2.71 2.61 4nosC1 ASP 460 HB3 0.07 0.05 0.00 -0.04 2.70 2.78 4nosC1 TRP 461 H 0.33 0.26 -0.05 -0.55 7.97 7.97 4nosC1 TRP 461 HA 0.02 0.09 0.20 -0.75 4.62 4.17 4nosC1 TRP 461 HB2 0.04 0.04 0.07 -0.04 3.23 3.34 4nosC1 TRP 461 HB3 0.03 -0.07 0.05 -0.04 3.23 3.21 4nosC1 TRP 461 HD1 0.03 0.19 0.06 -0.04 7.22 7.47 4nosC1 TRP 461 HE1 -0.13 0.25 0.01 -0.04 10.20 10.29 4nosC1 TRP 461 HE3 0.00 -0.03 -0.44 -0.04 7.59 7.09 4nosC1 TRP 461 HZ2 -1.11 0.11 0.08 -0.04 7.44 6.48 4nosC1 TRP 461 HZ3 -0.02 -0.01 -0.08 -0.04 7.13 6.97 4nosC1 TRP 461 HH2 -0.17 -0.06 -0.05 -0.04 7.19 6.87 4nosC1 ILE 462 H 0.42 0.07 -0.22 -0.55 8.25 7.97 4nosC1 ILE 462 HA 0.37 0.06 0.35 -0.75 4.18 4.21 4nosC1 ILE 462 HB 0.37 0.04 -0.01 -0.04 1.89 2.25 4nosC1 ILE 462 HG12 0.41 0.01 -0.03 -0.04 1.49 1.84 4nosC1 ILE 462 HG13 0.32 -0.08 -0.02 -0.04 1.21 1.39 4nosC1 ILE 462 HG23 0.23 0.01 -0.08 -0.04 0.93 1.05 4nosC1 ILE 462 HD13 0.16 0.05 -0.17 -0.04 0.88 0.88 4nosC1 TRP 463 H 0.35 0.30 -0.28 -0.55 7.97 7.79 4nosC1 TRP 463 HA -0.02 0.14 0.75 -0.75 4.62 4.73 4nosC1 TRP 463 HB2 0.01 -0.01 0.15 -0.04 3.23 3.33 4nosC1 TRP 463 HB3 -0.02 0.13 0.07 -0.04 3.23 3.37 4nosC1 TRP 463 HD1 0.07 -0.10 -0.19 -0.04 7.22 6.96 4nosC1 TRP 463 HE1 0.08 0.00 -0.04 -0.04 10.20 10.19 4nosC1 TRP 463 HE3 0.02 0.16 0.05 -0.04 7.59 7.78 4nosC1 TRP 463 HZ2 0.08 -0.02 -0.01 -0.04 7.44 7.45 4nosC1 TRP 463 HZ3 0.06 -0.03 -0.01 -0.04 7.13 7.10 4nosC1 TRP 463 HH2 0.09 -0.03 -0.02 -0.04 7.19 7.19 4nosC1 LEU 464 H 0.02 0.45 0.02 -0.55 8.37 8.31 4nosC1 LEU 464 HA -0.14 0.00 0.27 -0.75 4.35 3.73 4nosC1 LEU 464 HB2 -0.22 0.02 -0.10 -0.04 1.64 1.29 4nosC1 LEU 464 HB3 -0.45 -0.06 -0.16 -0.04 1.64 0.93 4nosC1 LEU 464 HG -1.08 -0.05 -0.13 -0.04 1.64 0.34 4nosC1 LEU 464 HD13 -0.10 0.00 -0.41 -0.04 0.93 0.39 4nosC1 LEU 464 HD23 -0.19 -0.00 -0.13 -0.04 0.89 0.53 4nosC1 VAL 465 H -0.39 0.43 -0.27 -0.55 8.24 7.46 4nosC1 VAL 465 HA -0.31 -0.02 0.53 -0.75 4.13 3.58 4nosC1 VAL 465 HB -0.66 0.06 0.02 -0.04 2.12 1.50 4nosC1 VAL 465 HG13 -0.20 0.02 -0.11 -0.04 0.97 0.64 4nosC1 VAL 465 HG23 -1.69 -0.00 -0.14 -0.04 0.95 -0.92 4nosC1 PRO 466 HA -0.15 0.14 0.31 -0.51 4.44 4.22 4nosC1 PRO 466 HB2 -0.10 0.08 0.07 -0.04 2.28 2.29 4nosC1 PRO 466 HB3 -0.15 -0.13 0.15 -0.04 2.02 1.85 4nosC1 PRO 466 HG2 0.02 -0.04 0.10 -0.04 2.03 2.07 4nosC1 PRO 466 HG3 -0.05 0.09 0.13 -0.04 2.03 2.16 4nosC1 PRO 466 HD2 -0.07 0.05 0.21 -0.04 3.68 3.83 4nosC1 PRO 466 HD3 -0.12 0.24 0.36 -0.04 3.65 4.09 4nosC1 PRO 467 HA -0.12 0.18 0.42 -0.51 4.44 4.41 4nosC1 PRO 467 HB2 -0.13 -0.03 0.08 -0.04 2.28 2.16 4nosC1 PRO 467 HB3 -0.16 0.12 0.09 -0.04 2.02 2.02 4nosC1 PRO 467 HG2 -0.20 -0.07 -0.02 -0.04 2.03 1.70 4nosC1 PRO 467 HG3 -0.18 0.02 -0.02 -0.04 2.03 1.82 4nosC1 PRO 467 HD2 -0.20 -0.04 0.20 -0.04 3.68 3.60 4nosC1 PRO 467 HD3 -0.18 0.29 0.14 -0.04 3.65 3.86 4nosC1 MET 468 H -0.19 0.29 -0.46 -0.55 8.47 7.57 4nosC1 MET 468 HA -0.08 0.12 0.49 -0.75 4.52 4.29 4nosC1 MET 468 HB2 -0.09 0.00 0.10 -0.04 2.15 2.13 4nosC1 MET 468 HB3 -0.15 0.05 -0.13 -0.04 2.03 1.76 4nosC1 MET 468 HG2 -0.51 -0.09 -0.07 -0.04 2.63 1.92 4nosC1 MET 468 HG3 -0.17 0.03 -0.30 -0.04 2.56 2.08 4nosC1 MET 468 HE3 0.04 0.01 -0.07 -0.04 2.10 2.03 4nosC1 SER 469 H -0.03 0.17 0.08 -0.55 8.46 8.14 4nosC1 SER 469 HA 0.01 0.03 0.29 -0.75 4.49 4.06 4nosC1 SER 469 HB2 0.19 0.09 -0.32 -0.04 3.95 3.87 4nosC1 SER 469 HB3 0.16 -0.00 0.13 -0.04 3.93 4.18 4nosC1 GLY 470 H -0.03 0.07 -0.36 -0.55 8.43 7.56 4nosC1 GLY 470 HA2 -0.03 0.17 0.25 -0.51 4.01 3.89 4nosC1 GLY 470 HA3 -0.00 0.08 0.25 -0.51 4.01 3.83 4nosC1 SER 471 H -0.36 0.07 -0.09 -0.55 8.46 7.53 4nosC1 SER 471 HA -0.78 0.15 0.50 -0.75 4.49 3.60 4nosC1 SER 471 HB2 -0.54 0.06 0.07 -0.04 3.95 3.50 4nosC1 SER 471 HB3 -1.91 0.00 0.03 -0.04 3.93 2.02 4nosC1 ILE 472 H -0.05 0.20 -0.40 -0.55 8.25 7.45 4nosC1 ILE 472 HA 0.05 0.07 0.47 -0.75 4.18 4.03 4nosC1 ILE 472 HB 0.13 0.18 0.09 -0.04 1.89 2.25 4nosC1 ILE 472 HG12 -0.00 -0.13 -0.05 -0.04 1.49 1.26 4nosC1 ILE 472 HG13 0.05 -0.05 0.02 -0.04 1.21 1.18 4nosC1 ILE 472 HG23 0.05 -0.02 0.05 -0.04 0.93 0.96 4nosC1 ILE 472 HD13 0.01 0.02 -0.05 -0.04 0.88 0.81 4nosC1 THR 473 H 0.06 0.36 -0.32 -0.55 8.28 7.83 4nosC1 THR 473 HA 0.16 0.15 0.75 -0.75 4.39 4.69 4nosC1 THR 473 HB 0.09 -0.04 0.14 -0.04 4.32 4.47 4nosC1 THR 473 HG23 0.08 0.03 -0.05 -0.04 1.22 1.24 4nosC1 PRO 474 HA 0.33 0.13 0.41 -0.51 4.44 4.79 4nosC1 PRO 474 HB2 0.17 0.04 -0.05 -0.04 2.28 2.40 4nosC1 PRO 474 HB3 0.14 0.06 0.05 -0.04 2.02 2.22 4nosC1 PRO 474 HG2 0.16 0.06 -0.09 -0.04 2.03 2.12 4nosC1 PRO 474 HG3 0.12 0.06 -0.01 -0.04 2.03 2.17 4nosC1 PRO 474 HD2 0.13 0.05 0.22 -0.04 3.68 4.04 4nosC1 PRO 474 HD3 0.13 0.20 0.16 -0.04 3.65 4.10 4nosC1 VAL 475 H 0.13 0.10 -0.23 -0.55 8.24 7.69 4nosC1 VAL 475 HA 0.16 0.09 0.31 -0.75 4.13 3.93 4nosC1 VAL 475 HB -0.06 -0.01 0.03 -0.04 2.12 2.03 4nosC1 VAL 475 HG13 -0.30 0.04 -0.29 -0.04 0.97 0.38 4nosC1 VAL 475 HG23 0.11 0.01 0.02 -0.04 0.95 1.05 4nosC1 PHE 476 H 0.14 0.23 -0.27 -0.55 8.34 7.89 4nosC1 PHE 476 HA -0.18 0.05 0.27 -0.75 4.62 4.01 4nosC1 PHE 476 HB2 -0.14 0.06 -0.09 -0.04 3.15 2.94 4nosC1 PHE 476 HB3 -0.24 0.19 0.07 -0.04 3.06 3.04 4nosC1 PHE 476 HD2 -0.47 0.03 -0.28 -0.04 7.28 6.52 4nosC1 PHE 476 HE2 0.13 -0.01 -0.07 -0.04 7.38 7.39 4nosC1 PHE 476 HZ 0.08 -0.01 -0.04 -0.04 7.32 7.31 4nosC1 HIS 477 H 0.34 0.28 -0.51 -0.55 8.41 7.98 4nosC1 HIS 477 HA 0.43 0.13 0.53 -0.75 4.63 4.97 4nosC1 HIS 477 HB2 0.26 0.12 0.05 -0.04 3.26 3.65 4nosC1 HIS 477 HB3 0.35 -0.25 0.12 -0.04 3.20 3.37 4nosC1 HIS 477 HD2 0.23 0.06 0.01 -0.04 6.97 7.23 4nosC1 HIS 477 HE1 0.13 -0.06 -0.03 -0.04 7.75 7.74 4nosC1 GLN 478 H 0.37 0.52 -0.37 -0.55 8.47 8.45 4nosC1 GLN 478 HA 0.18 0.05 0.96 -0.75 4.36 4.79 4nosC1 GLN 478 HB2 0.24 -0.05 -0.01 -0.04 2.15 2.30 4nosC1 GLN 478 HB3 0.28 0.12 0.11 -0.04 2.02 2.49 4nosC1 GLN 478 HG2 0.33 -0.06 -0.12 -0.04 2.40 2.51 4nosC1 GLN 478 HG3 0.29 0.13 -0.37 -0.04 2.39 2.40 4nosC1 GLN 478 HE21 0.02 -0.13 -0.26 -0.04 6.97 6.57 4nosC1 GLN 478 HE22 0.18 0.69 0.03 -0.04 7.69 8.55 4nosC1 GLU 479 H 0.10 0.39 0.25 -0.55 8.60 8.79 4nosC1 GLU 479 HA 0.15 0.08 0.74 -0.75 4.29 4.52 4nosC1 GLU 479 HB2 0.03 -0.20 0.29 -0.04 2.09 2.17 4nosC1 GLU 479 HB3 0.09 0.03 0.08 -0.04 1.99 2.14 4nosC1 GLU 479 HG2 0.18 0.01 0.08 -0.04 2.34 2.56 4nosC1 GLU 479 HG3 0.32 0.09 0.06 -0.04 2.34 2.77 4nosC1 MET 480 H 0.16 0.19 0.19 -0.55 8.47 8.47 4nosC1 MET 480 HA 0.21 0.20 0.86 -0.75 4.52 5.03 4nosC1 MET 480 HB2 0.28 -0.11 -0.08 -0.04 2.15 2.20 4nosC1 MET 480 HB3 0.22 0.11 -0.06 -0.04 2.03 2.26 4nosC1 MET 480 HG2 0.31 0.06 -0.17 -0.04 2.63 2.78 4nosC1 MET 480 HG3 0.33 0.03 -0.73 -0.04 2.56 2.15 4nosC1 MET 480 HE3 0.06 0.03 -0.13 -0.04 2.10 2.02 4nosC1 LEU 481 H 0.21 0.29 0.16 -0.55 8.37 8.48 4nosC1 LEU 481 HA 0.12 0.15 0.93 -0.75 4.35 4.80 4nosC1 LEU 481 HB2 0.35 -0.03 0.07 -0.04 1.64 1.99 4nosC1 LEU 481 HB3 0.20 0.06 -0.04 -0.04 1.64 1.82 4nosC1 LEU 481 HG 0.11 -0.02 -0.16 -0.04 1.64 1.53 4nosC1 LEU 481 HD13 -0.23 -0.01 -0.05 -0.04 0.93 0.60 4nosC1 LEU 481 HD23 0.03 0.05 -0.24 -0.04 0.89 0.68 4nosC1 ASN 482 H 0.13 0.14 0.17 -0.55 8.53 8.42 4nosC1 ASN 482 HA 0.01 0.08 0.96 -0.75 4.76 5.05 4nosC1 ASN 482 HB2 0.09 0.02 0.11 -0.04 2.88 3.07 4nosC1 ASN 482 HB3 0.08 -0.06 0.12 -0.04 2.79 2.89 4nosC1 ASN 482 HD21 0.01 0.05 -0.08 -0.04 7.03 6.97 4nosC1 ASN 482 HD22 0.06 -0.05 -0.02 -0.04 7.74 7.69 4nosC1 TYR 483 H -0.19 0.33 0.18 -0.55 8.29 8.06 4nosC1 TYR 483 HA -0.03 0.05 0.40 -0.75 4.56 4.23 4nosC1 TYR 483 HB2 -0.01 0.04 0.04 -0.04 3.06 3.08 4nosC1 TYR 483 HB3 0.02 0.11 0.04 -0.04 2.98 3.11 4nosC1 TYR 483 HD2 0.00 0.00 -0.57 -0.04 7.15 6.55 4nosC1 TYR 483 HE2 -0.00 0.04 -0.26 -0.04 6.85 6.58 4nosC1 VAL 484 H 0.02 0.16 0.15 -0.55 8.24 8.02 4nosC1 VAL 484 HA -0.36 0.19 0.87 -0.75 4.13 4.08 4nosC1 VAL 484 HB -0.22 -0.05 0.23 -0.04 2.12 2.05 4nosC1 VAL 484 HG13 -0.86 0.03 -0.11 -0.04 0.97 -0.00 4nosC1 VAL 484 HG23 -0.53 0.00 -0.08 -0.04 0.95 0.31 4nosC1 LEU 485 H -0.02 0.24 0.15 -0.55 8.37 8.19 4nosC1 LEU 485 HA 0.04 0.17 0.71 -0.75 4.35 4.51 4nosC1 LEU 485 HB2 0.04 0.10 0.02 -0.04 1.64 1.76 4nosC1 LEU 485 HB3 0.04 -0.05 0.07 -0.04 1.64 1.66 4nosC1 LEU 485 HG 0.17 -0.10 -0.27 -0.04 1.64 1.40 4nosC1 LEU 485 HD13 0.02 0.01 -0.11 -0.04 0.93 0.80 4nosC1 LEU 485 HD23 0.14 0.03 -0.27 -0.04 0.89 0.75 4nosC1 SER 486 H 0.06 0.29 0.05 -0.55 8.46 8.31 4nosC1 SER 486 HA 0.12 0.04 0.43 -0.75 4.49 4.32 4nosC1 SER 486 HB2 0.09 0.07 -0.22 -0.04 3.95 3.84 4nosC1 SER 486 HB3 0.11 0.00 0.03 -0.04 3.93 4.03 4nosC1 PRO 487 HA 0.08 0.12 0.42 -0.51 4.44 4.55 4nosC1 PRO 487 HB2 -0.12 0.01 -0.07 -0.04 2.28 2.05 4nosC1 PRO 487 HB3 -0.06 0.11 0.15 -0.04 2.02 2.17 4nosC1 PRO 487 HG2 0.10 0.00 0.12 -0.04 2.03 2.21 4nosC1 PRO 487 HG3 0.26 -0.11 0.11 -0.04 2.03 2.24 4nosC1 PRO 487 HD2 -0.03 0.07 0.04 -0.04 3.68 3.73 4nosC1 PRO 487 HD3 0.19 0.16 0.55 -0.04 3.65 4.51 4nosC1 PHE 488 H 0.00 0.38 0.33 -0.55 8.34 8.50 4nosC1 PHE 488 HA -0.30 0.21 0.76 -0.75 4.62 4.54 4nosC1 PHE 488 HB2 -0.17 0.31 -0.29 -0.04 3.15 2.97 4nosC1 PHE 488 HB3 -0.28 -0.09 -0.03 -0.04 3.06 2.62 4nosC1 PHE 488 HD2 -1.08 -0.02 -0.16 -0.04 7.28 5.98 4nosC1 PHE 488 HE2 -0.43 0.05 0.07 -0.04 7.38 7.03 4nosC1 PHE 488 HZ -0.29 -0.11 0.03 -0.04 7.32 6.90 4nosC1 TYR 489 H -1.09 0.25 0.11 -0.55 8.29 7.00 4nosC1 TYR 489 HA -0.11 0.22 0.89 -0.75 4.56 4.80 4nosC1 TYR 489 HB2 -0.51 -0.04 0.11 -0.04 3.06 2.58 4nosC1 TYR 489 HB3 -0.16 0.00 -0.12 -0.04 2.98 2.66 4nosC1 TYR 489 HD2 -0.22 0.05 -0.19 -0.04 7.15 6.75 4nosC1 TYR 489 HE2 -0.21 0.01 -0.29 -0.04 6.85 6.32 4nosC1 TYR 490 H 0.28 0.68 0.27 -0.55 8.29 8.97 4nosC1 TYR 490 HA 0.03 0.15 0.70 -0.75 4.56 4.69 4nosC1 TYR 490 HB2 0.10 0.01 0.09 -0.04 3.06 3.22 4nosC1 TYR 490 HB3 0.08 0.01 0.06 -0.04 2.98 3.10 4nosC1 TYR 490 HD2 0.11 0.05 -0.34 -0.04 7.15 6.93 4nosC1 TYR 490 HE2 -0.01 0.02 -0.08 -0.04 6.85 6.74 4nosC1 TYR 491 H 0.11 0.66 0.38 -0.55 8.29 8.89 4nosC1 TYR 491 HA 0.06 0.07 0.62 -0.75 4.56 4.55 4nosC1 TYR 491 HB2 0.07 -0.01 -0.08 -0.04 3.06 2.99 4nosC1 TYR 491 HB3 0.02 -0.02 0.08 -0.04 2.98 3.01 4nosC1 TYR 491 HD2 0.02 0.01 -0.09 -0.04 7.15 7.06 4nosC1 TYR 491 HE2 -0.07 0.01 0.02 -0.04 6.85 6.77 4nosC1 GLN 492 H 0.13 0.32 0.21 -0.55 8.47 8.59 4nosC1 GLN 492 HA 0.04 0.22 0.68 -0.75 4.36 4.55 4nosC1 GLN 492 HB2 -0.02 0.04 -0.08 -0.04 2.15 2.05 4nosC1 GLN 492 HB3 -0.04 -0.01 0.03 -0.04 2.02 1.97 4nosC1 GLN 492 HG2 0.06 0.22 -0.08 -0.04 2.40 2.56 4nosC1 GLN 492 HG3 0.10 -0.11 -0.44 -0.04 2.39 1.91 4nosC1 GLN 492 HE21 0.08 0.19 -0.12 -0.04 6.97 7.08 4nosC1 GLN 492 HE22 0.06 0.33 -0.34 -0.04 7.69 7.70 4nosC1 VAL 493 H -0.08 0.16 0.07 -0.55 8.24 7.84 4nosC1 VAL 493 HA -0.15 0.03 0.50 -0.75 4.13 3.76 4nosC1 VAL 493 HB -0.15 0.04 0.01 -0.04 2.12 1.98 4nosC1 VAL 493 HG13 -0.18 0.02 -0.04 -0.04 0.97 0.74 4nosC1 VAL 493 HG23 -0.07 0.00 -0.00 -0.04 0.95 0.84 4nosC1 GLU 494 H -0.39 0.07 0.15 -0.55 8.60 7.88 4nosC1 GLU 494 HA -0.68 0.13 0.43 -0.75 4.29 3.41 4nosC1 GLU 494 HB2 -1.12 -0.04 0.14 -0.04 2.09 1.03 4nosC1 GLU 494 HB3 -2.94 -0.05 0.04 -0.04 1.99 -1.00 4nosC1 GLU 494 HG2 -0.66 0.02 0.07 -0.04 2.34 1.74 4nosC1 GLU 494 HG3 -0.44 0.10 0.09 -0.04 2.34 2.05 4nosC1 ALA 495 H -0.79 0.22 0.17 -0.55 8.40 7.45 4nosC1 ALA 495 HA -0.53 0.13 0.24 -0.75 4.34 3.43 4nosC1 ALA 495 HB3 -1.38 0.03 0.02 -0.04 1.41 0.04 4nosC1 TRP 496 H -0.81 0.07 -0.24 -0.55 7.97 6.44 4nosC1 TRP 496 HA -0.38 0.13 0.37 -0.75 4.62 3.99 4nosC1 TRP 496 HB2 0.13 0.05 0.05 -0.04 3.23 3.42 4nosC1 TRP 496 HB3 -0.03 0.01 0.04 -0.04 3.23 3.20 4nosC1 TRP 496 HD1 0.03 0.05 -0.23 -0.04 7.22 7.02 4nosC1 TRP 496 HE1 0.04 -0.01 -0.06 -0.04 10.20 10.12 4nosC1 TRP 496 HE3 -0.14 -0.01 0.00 -0.04 7.59 7.40 4nosC1 TRP 496 HZ2 0.09 -0.02 -0.01 -0.04 7.44 7.46 4nosC1 TRP 496 HZ3 0.30 0.34 0.04 -0.04 7.13 7.77 4nosC1 TRP 496 HH2 0.08 -0.01 0.04 -0.04 7.19 7.26 4nosC1 LYS 497 H -0.61 0.46 -0.41 -0.55 8.42 7.31 4nosC1 LYS 497 HA 0.05 0.08 0.56 -0.75 4.32 4.26 4nosC1 LYS 497 HB2 -0.32 0.21 0.03 -0.04 1.87 1.75 4nosC1 LYS 497 HB3 -0.11 -0.03 -0.00 -0.04 1.79 1.61 4nosC1 LYS 497 HG2 -0.02 0.00 0.00 -0.04 1.46 1.41 4nosC1 LYS 497 HG3 -0.51 -0.09 -0.04 -0.04 1.46 0.77 4nosC1 LYS 497 HD2 -0.35 -0.12 0.07 -0.04 1.69 1.25 4nosC1 LYS 497 HD3 -0.15 0.03 0.01 -0.04 1.68 1.53 4nosC1 LYS 497 HE2 -0.05 -0.01 0.02 -0.04 2.99 2.90 4nosC1 LYS 497 HE3 0.01 0.02 0.00 -0.04 2.99 2.98 4nosC1 THR 498 H -0.18 0.27 -0.27 -0.55 8.28 7.55 4nosC1 THR 498 HA -0.01 0.21 0.89 -0.75 4.39 4.73 4nosC1 THR 498 HB -0.06 -0.01 0.14 -0.04 4.32 4.35 4nosC1 THR 498 HG23 -0.08 -0.03 -0.17 -0.04 1.22 0.89 4nosC1 HIS 499 H 0.12 0.16 -0.26 -0.55 8.41 7.89 4nosC1 HIS 499 HA -0.07 0.16 0.90 -0.75 4.63 4.87 4nosC1 HIS 499 HB2 -0.03 0.09 -0.04 -0.04 3.26 3.24 4nosC1 HIS 499 HB3 0.07 -0.05 0.05 -0.04 3.20 3.22 4nosC1 HIS 499 HD2 -3.31 -0.07 -0.21 -0.04 6.97 3.33 4nosC1 HIS 499 HE1 -0.24 0.19 -0.34 -0.04 7.75 7.31 4nosC1 VAL 500 H -0.41 0.23 0.10 -0.55 8.24 7.61 4nosC1 VAL 500 HA -0.05 0.08 0.73 -0.75 4.13 4.14 4nosC1 VAL 500 HB -0.20 0.01 0.17 -0.04 2.12 2.06 4nosC1 VAL 500 HG13 -0.03 0.01 -0.05 -0.04 0.97 0.87 4nosC1 VAL 500 HG23 -0.08 0.01 0.00 -0.04 0.95 0.84 4nosC1 TRP 501 H 0.29 0.17 0.05 -0.55 7.97 7.94 4nosC1 TRP 501 HA -0.00 0.01 0.56 -0.75 4.62 4.43 4nosC1 TRP 501 HB2 0.05 -0.04 0.12 -0.04 3.23 3.31 4nosC1 TRP 501 HB3 0.08 0.11 -0.01 -0.04 3.23 3.36 4nosC1 TRP 501 HD1 0.14 0.09 0.05 -0.04 7.22 7.46 4nosC1 TRP 501 HE1 0.38 0.02 0.01 -0.04 10.20 10.57 4nosC1 TRP 501 HE3 0.12 0.06 0.04 -0.04 7.59 7.76 4nosC1 TRP 501 HZ2 0.45 -0.06 -0.02 -0.04 7.44 7.77 4nosC1 TRP 501 HZ3 -0.03 0.04 0.04 -0.04 7.13 7.13 4nosC1 TRP 501 HH2 -0.12 -0.00 -0.00 -0.04 7.19 7.02 4nosC1 GLN 502 H 0.17 -0.01 0.11 -0.55 8.47 8.20 4nosC1 GLN 502 HA 0.08 0.11 0.66 -0.75 4.36 4.46 4nosC1 GLN 502 HB2 0.04 0.04 0.08 -0.04 2.15 2.27 4nosC1 GLN 502 HB3 0.01 -0.01 -0.00 -0.04 2.02 1.98 4nosC1 GLN 502 HG2 0.09 -0.12 0.19 -0.04 2.40 2.52 4nosC1 GLN 502 HG3 0.06 0.02 0.10 -0.04 2.39 2.53 4nosC1 GLN 502 HE21 -0.01 0.11 0.02 -0.04 6.97 7.04 4nosC1 GLN 502 HE22 -0.04 0.11 0.05 -0.04 7.69 7.77