*HEADER UNKNOWN FUNCTION 01-AUG-13 SMS21037 *TITLE STRUCTURE OF AIP-III_DF5 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: AIP-III_DF5; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS AUTOINDUCING PEPTIDE DF5, UNKNOWN FUNCTION *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR Y.TAL-GAN, M.IVANCIC, G.CORNILESCU, C.C.CORNILESCU, H.E.BLACKWELL assign (resid 1 and name HA ) (resid 1 and name HB ) 2.7 0.5 0.5 assign (resid 1 and name HA ) (resid 1 and (name HD1# or name HG2# )) 2.5 0.5 0.5 assign (resid 1 and name HA ) (resid 1 and (name HG11 or name HG12 )) 3.4 0.7 0.7 assign (resid 1 and name HA ) (resid 1 and (name HG12 or name HG11 )) 3.0 0.6 0.6 assign (resid 1 and name HA ) (resid 1 and (name HG2# or name HD1# )) 2.9 0.6 0.6 assign (resid 1 and name HB ) (resid 1 and (name HD1# or name HG2# )) 2.4 0.5 0.5 assign (resid 1 and name HB ) (resid 1 and (name HG11 or name HG12 )) 2.5 0.5 0.5 assign (resid 1 and name HB ) (resid 1 and (name HG2# or name HD1# )) 2.2 0.4 0.4 assign (resid 1 and (name HD1# or name HG2# )) (resid 1 and (name HG11 or name HG12 )) 2.2 0.4 0.4 assign (resid 1 and (name HG11 or name HG12 )) (resid 1 and (name HG2# or name HD1# )) 2.2 0.4 0.4 assign (resid 1 and (name HG12 or name HG11 )) (resid 1 and (name HG2# or name HD1# )) 2.3 0.5 0.5 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.6 0.5 0.5 assign (resid 1 and name HB ) (resid 2 and name HN ) 3.2 0.6 0.6 assign (resid 1 and (name HG11 or name HG12 )) (resid 2 and name HN ) 4.0 0.8 0.8 assign (resid 1 and (name HG12 or name HG11 )) (resid 2 and name HN ) 3.8 0.8 0.8 assign (resid 1 and (name HG2# or name HD1# )) (resid 2 and name HN ) 4.3 0.9 0.9 assign (resid 1 and (name HG2# or name HD1# )) (resid 3 and name HN ) 3.9 0.8 0.8 assign (resid 1 and (name HG11 or name HG12 )) (resid 6 and (name HD2# or name HD1# )) 2.3 0.5 0.5 assign (resid 2 and name HA ) (resid 2 and (name HB1 or name HB2 )) 2.7 0.5 0.5 assign (resid 2 and name HA ) (resid 2 and (name HB2 or name HB1 )) 2.8 0.6 0.6 assign (resid 2 and name HA ) (resid 2 and name HN ) 3.0 0.6 0.6 assign (resid 2 and (name HB1 or name HB2 )) (resid 2 and name HN ) 3.3 0.7 0.7 assign (resid 2 and (name HB2 or name HB1 )) (resid 2 and name HN ) 3.0 0.6 0.6 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.5 0.5 0.5 assign (resid 2 and (name HB2 or name HB1 )) (resid 3 and name HN ) 4.3 0.9 0.9 assign (resid 2 and name HN ) (resid 3 and name HN ) 3.7 0.7 0.7 assign (resid 3 and name HA ) (resid 3 and (name HB1 or name HB2 )) 2.7 0.5 0.5 assign (resid 3 and name HA ) (resid 3 and (name HB2 or name HB1 )) 3.4 0.7 0.7 assign (resid 3 and name HA ) (resid 3 and name HN ) 3.1 0.6 0.6 assign (resid 3 and (name HB1 or name HB2 )) (resid 3 and name HN ) 3.2 0.6 0.6 assign (resid 3 and (name HB2 or name HB1 )) (resid 3 and name HN ) 2.7 0.5 0.5 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.3 0.5 0.9 assign (resid 3 and (name HB1 or name HB2 )) (resid 4 and name HN ) 4.4 0.9 0.9 assign (resid 4 and name HA ) (resid 4 and (name HB1 or name HB2 )) 3.0 0.6 0.6 assign (resid 4 and name HA ) (resid 4 and (name HB2 or name HB1 )) 2.7 0.5 0.5 assign (resid 4 and name HA ) (resid 4 and name HN ) 2.9 0.6 0.6 assign (resid 4 and (name HB1 or name HB2 )) (resid 4 and name HN ) 3.1 0.6 0.6 assign (resid 4 and (name HB2 or name HB1 )) (resid 4 and name HN ) 2.9 0.6 0.6 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.3 0.5 0.5 assign (resid 4 and (name HB1 or name HB2 )) (resid 5 and name HN ) 3.4 0.7 0.7 assign (resid 5 and name HA ) (resid 5 and (name HB1 or name HB2 )) 2.7 0.5 0.5 assign (resid 5 and name HA ) (resid 5 and (name HB2 or name HB1 )) 3.0 0.6 0.6 assign (resid 5 and name HA ) (resid 5 and name HD# ) 2.6 0.5 0.5 assign (resid 5 and name HA ) (resid 5 and name HE# ) 3.4 0.7 1.1 assign (resid 5 and name HA ) (resid 5 and name HN ) 3.1 0.6 0.6 assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and name HD# ) 2.7 0.5 0.5 assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and name HE# ) 3.6 0.7 0.7 assign (resid 5 and (name HB1 or name HB2 )) (resid 5 and name HN ) 3.0 0.6 0.6 assign (resid 5 and (name HB2 or name HB1 )) (resid 5 and name HD# ) 2.5 0.5 0.5 assign (resid 5 and (name HB2 or name HB1 )) (resid 5 and name HE# ) 3.2 0.6 0.6 assign (resid 5 and (name HB2 or name HB1 )) (resid 5 and name HN ) 2.9 0.6 0.6 assign (resid 5 and name HD# ) (resid 5 and name HN ) 4.4 0.9 0.9 assign (resid 5 and name HA ) (resid 6 and name HN ) 4.0 1.1 0.8 assign (resid 5 and name HA ) (resid 7 and name HN ) 2.3 0.5 1.4 assign (resid 5 and name HD# ) (resid 7 and name HA ) 3.4 0.7 0.7 assign (resid 5 and name HD# ) (resid 7 and (name HD1# or name HD2# )) 4.8 1.0 1.0 assign (resid 5 and name HD# ) (resid 7 and (name HD2# or name HD1# )) 3.4 0.7 0.7 assign (resid 5 and name HD# ) (resid 7 and name HN ) 3.5 0.7 0.7 assign (resid 5 and name HE# ) (resid 7 and (name HD1# or name HD2# )) 3.0 0.6 0.6 assign (resid 5 and name HE# ) (resid 7 and (name HD2# or name HD1# )) 3.0 0.6 0.6 assign (resid 5 and name HZ ) (resid 7 and (name HD2# or name HD1# )) 3.2 0.6 0.6 assign (resid 6 and name HA ) (resid 6 and name HB# ) 2.4 0.5 0.5 assign (resid 6 and name HA ) (resid 6 and name HG ) 2.5 0.5 0.5 assign (resid 6 and name HB# ) (resid 6 and (name HD1# or name HD2# )) 2.2 0.4 0.4 assign (resid 6 and name HB# ) (resid 6 and (name HD2# or name HD1# )) 2.4 0.5 0.5 assign (resid 6 and name HB# ) (resid 6 and name HN ) 2.7 0.5 0.5 assign (resid 6 and (name HD1# or name HD2# )) (resid 6 and name HG ) 2.0 0.4 0.4 assign (resid 6 and (name HD2# or name HD1# )) (resid 6 and name HG ) 2.4 0.5 0.5 assign (resid 6 and name HG ) (resid 6 and name HN ) 3.2 0.6 0.6 assign (resid 6 and (name HD2# or name HD1# )) (resid 7 and name HB# ) 3.1 0.6 0.6 assign (resid 6 and name HN ) (resid 7 and name HA ) 3.5 0.7 1.3 assign (resid 6 and name HN ) (resid 7 and name HN ) 2.6 0.5 0.5 assign (resid 7 and name HA ) (resid 7 and name HB# ) 2.5 0.5 0.5 assign (resid 7 and name HA ) (resid 7 and (name HD1# or name HD2# )) 3.1 0.6 0.6 assign (resid 7 and name HA ) (resid 7 and (name HD2# or name HD1# )) 2.5 0.5 0.5 assign (resid 7 and name HA ) (resid 7 and name HN ) 3.2 0.6 0.6 assign (resid 7 and name HB# ) (resid 7 and (name HD1# or name HD2# )) 2.2 0.4 0.4 assign (resid 7 and name HB# ) (resid 7 and (name HD2# or name HD1# )) 2.3 0.5 0.5 assign (resid 7 and name HB# ) (resid 7 and name HN ) 2.7 0.5 0.5 assign (resid 7 and (name HD1# or name HD2# )) (resid 7 and name HN ) 4.9 1.0 1.0 assign (resid 7 and (name HD2# or name HD1# )) (resid 7 and name HN ) 3.1 0.6 0.6 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 HT1 ILE 1 24.409 -3.670 7.090 2 H2 ILE 1 HT2 ILE 1 22.800 -3.130 7.026 3 H3 ILE 1 HT3 ILE 1 24.060 -2.024 7.302 4 HA ILE 1 HA ILE 1 24.248 -1.663 5.143 5 HB ILE 1 HB ILE 1 25.028 -3.510 3.694 6 HG12 ILE 1 HG12 ILE 1 24.355 -5.223 6.108 7 HG13 ILE 1 HG11 ILE 1 23.544 -5.274 4.542 8 HG21 ILE 1 HG21 ILE 1 26.263 -3.743 6.449 9 HG22 ILE 1 HG22 ILE 1 26.538 -2.366 5.383 10 HG23 ILE 1 HG23 ILE 1 27.059 -3.978 4.893 11 HD11 ILE 1 HD11 ILE 1 25.137 -7.078 4.563 12 HD12 ILE 1 HD12 ILE 1 26.416 -6.016 5.148 13 HD13 ILE 1 HD13 ILE 1 25.793 -5.825 3.510 14 H ASN 2 HN ASN 2 22.914 -1.397 3.380 15 HA ASN 2 HA ASN 2 20.645 -3.210 3.015 16 HB2 ASN 2 HB2 ASN 2 20.315 -0.241 3.503 17 HB3 ASN 2 HB1 ASN 2 19.030 -1.351 3.031 18 HD21 ASN 2 HD21 ASN 2 19.720 0.253 5.655 19 HD22 ASN 2 HD22 ASN 2 19.510 -0.917 6.866 20 H CYS 3 HN CYS 3 22.303 -3.473 1.177 21 HA CYS 3 HA CYS 3 22.968 -3.084 -0.999 22 HB2 CYS 3 HB2 CYS 3 20.038 -2.373 -0.988 23 HB3 CYS 3 HB1 CYS 3 20.992 -2.372 -2.472 24 H ASP 4 HN ASP 4 23.855 0.503 -1.043 25 HA ASP 4 HA ASP 4 25.724 -0.652 -0.361 26 HB2 ASP 4 HB2 ASP 4 23.764 -1.532 1.330 27 HB3 ASP 4 HB1 ASP 4 24.293 -3.042 0.591 28 H DPN 5 HN DPN 5 26.948 -2.687 -0.813 29 HA DPN 5 HA DPN 5 27.706 -4.264 -2.300 30 HB2 DPN 5 HB2 DPN 5 25.847 -2.705 -4.101 31 HB3 DPN 5 HB1 DPN 5 27.600 -2.558 -3.977 32 HD1 DPN 5 HD1 DPN 5 28.788 -5.048 -4.169 33 HD2 DPN 5 HD2 DPN 5 25.110 -3.806 -6.010 34 HE1 DPN 5 HE1 DPN 5 29.059 -6.806 -5.897 35 HE2 DPN 5 HE2 DPN 5 25.383 -5.564 -7.738 36 HZ DPN 5 HZ DPN 5 27.357 -7.064 -7.682 37 H LEU 6 HN LEU 6 25.519 -4.939 -0.569 38 HA LEU 6 HA LEU 6 24.841 -7.460 -1.403 39 HB2 LEU 6 HB2 LEU 6 24.266 -5.937 0.799 40 HB3 LEU 6 HB1 LEU 6 22.673 -6.128 0.068 41 HG LEU 6 HG LEU 6 24.586 -8.408 0.645 42 HD11 LEU 6 HD11 LEU 6 23.724 -7.408 2.720 43 HD12 LEU 6 HD12 LEU 6 22.979 -8.982 2.443 44 HD13 LEU 6 HD13 LEU 6 22.078 -7.506 2.096 45 HD21 LEU 6 HD21 LEU 6 22.366 -9.691 0.280 46 HD22 LEU 6 HD22 LEU 6 23.183 -9.062 -1.150 47 HD23 LEU 6 HD23 LEU 6 21.791 -8.210 -0.484 48 H LEU 7 HN LEU 7 23.774 -4.548 -2.748 49 HA LEU 7 HA LEU 7 22.402 -4.152 -4.561 50 HB2 LEU 7 HB2 LEU 7 23.046 -6.767 -4.907 51 HB3 LEU 7 HB1 LEU 7 21.299 -6.890 -4.699 52 HG LEU 7 HG LEU 7 22.610 -4.940 -6.608 53 HD11 LEU 7 HD11 LEU 7 21.856 -6.551 -8.378 54 HD12 LEU 7 HD12 LEU 7 21.476 -7.709 -7.103 55 HD13 LEU 7 HD13 LEU 7 23.143 -7.192 -7.356 56 HD21 LEU 7 HD21 LEU 7 20.368 -4.294 -5.942 57 HD22 LEU 7 HD22 LEU 7 19.771 -5.932 -6.207 58 HD23 LEU 7 HD23 LEU 7 20.285 -4.949 -7.578 Start of MODEL 2 1 H1 ILE 1 HT1 ILE 1 23.465 -3.523 7.022 2 H2 ILE 1 HT2 ILE 1 23.587 -1.849 7.289 3 H3 ILE 1 HT3 ILE 1 24.992 -2.800 7.186 4 HA ILE 1 HA ILE 1 24.275 -1.394 5.160 5 HB ILE 1 HB ILE 1 25.196 -3.155 3.669 6 HG12 ILE 1 HG12 ILE 1 24.929 -4.901 6.138 7 HG13 ILE 1 HG11 ILE 1 23.978 -5.065 4.662 8 HG21 ILE 1 HG21 ILE 1 27.329 -3.373 4.794 9 HG22 ILE 1 HG22 ILE 1 26.574 -3.127 6.368 10 HG23 ILE 1 HG23 ILE 1 26.654 -1.799 5.210 11 HD11 ILE 1 HD11 ILE 1 25.739 -6.661 4.458 12 HD12 ILE 1 HD12 ILE 1 26.948 -5.503 5.015 13 HD13 ILE 1 HD13 ILE 1 26.207 -5.309 3.426 14 H ASN 2 HN ASN 2 22.929 -1.387 3.346 15 HA ASN 2 HA ASN 2 20.819 -3.407 3.158 16 HB2 ASN 2 HB2 ASN 2 20.051 -1.500 4.673 17 HB3 ASN 2 HB1 ASN 2 20.105 -0.477 3.238 18 HD21 ASN 2 HD21 ASN 2 17.693 -0.280 3.487 19 HD22 ASN 2 HD22 ASN 2 16.701 -1.537 2.924 20 H CYS 3 HN CYS 3 22.526 -3.600 1.318 21 HA CYS 3 HA CYS 3 23.133 -3.265 -0.887 22 HB2 CYS 3 HB2 CYS 3 21.052 -4.405 -1.250 23 HB3 CYS 3 HB1 CYS 3 20.129 -2.931 -0.955 24 H ASP 4 HN ASP 4 23.495 0.371 -1.220 25 HA ASP 4 HA ASP 4 25.512 -0.472 -0.508 26 HB2 ASP 4 HB2 ASP 4 23.706 -1.414 1.320 27 HB3 ASP 4 HB1 ASP 4 24.425 -2.910 0.728 28 H DPN 5 HN DPN 5 26.823 -2.653 -0.548 29 HA DPN 5 HA DPN 5 27.718 -4.322 -1.848 30 HB2 DPN 5 HB2 DPN 5 26.085 -2.887 -3.950 31 HB3 DPN 5 HB1 DPN 5 27.804 -2.685 -3.611 32 HD1 DPN 5 HD1 DPN 5 29.057 -5.146 -3.496 33 HD2 DPN 5 HD2 DPN 5 25.625 -4.120 -5.865 34 HE1 DPN 5 HE1 DPN 5 29.586 -6.995 -5.063 35 HE2 DPN 5 HE2 DPN 5 26.154 -5.968 -7.432 36 HZ DPN 5 HZ DPN 5 28.135 -7.405 -7.030 37 H LEU 6 HN LEU 6 24.965 -4.546 -0.542 38 HA LEU 6 HA LEU 6 24.455 -7.229 -1.353 39 HB2 LEU 6 HB2 LEU 6 23.883 -5.738 0.875 40 HB3 LEU 6 HB1 LEU 6 22.300 -5.861 0.105 41 HG LEU 6 HG LEU 6 24.123 -8.226 0.630 42 HD11 LEU 6 HD11 LEU 6 21.662 -7.284 2.137 43 HD12 LEU 6 HD12 LEU 6 23.319 -7.214 2.737 44 HD13 LEU 6 HD13 LEU 6 22.551 -8.776 2.449 45 HD21 LEU 6 HD21 LEU 6 22.605 -8.614 -1.221 46 HD22 LEU 6 HD22 LEU 6 21.251 -7.952 -0.306 47 HD23 LEU 6 HD23 LEU 6 21.983 -9.480 0.184 48 H LEU 7 HN LEU 7 24.139 -4.982 -3.366 49 HA LEU 7 HA LEU 7 22.766 -4.453 -5.131 50 HB2 LEU 7 HB2 LEU 7 22.227 -7.277 -4.488 51 HB3 LEU 7 HB1 LEU 7 20.951 -6.475 -5.405 52 HG LEU 7 HG LEU 7 23.792 -6.063 -6.254 53 HD11 LEU 7 HD11 LEU 7 23.672 -8.096 -7.650 54 HD12 LEU 7 HD12 LEU 7 22.127 -8.514 -6.911 55 HD13 LEU 7 HD13 LEU 7 23.597 -8.503 -5.936 56 HD21 LEU 7 HD21 LEU 7 21.299 -6.511 -7.906 57 HD22 LEU 7 HD22 LEU 7 22.792 -5.705 -8.386 58 HD23 LEU 7 HD23 LEU 7 21.702 -4.929 -7.237 Start of MODEL 3 1 H1 ILE 1 HT1 ILE 1 24.727 -2.890 7.231 2 H2 ILE 1 HT2 ILE 1 23.264 -3.736 7.056 3 H3 ILE 1 HT3 ILE 1 23.261 -2.040 7.153 4 HA ILE 1 HA ILE 1 24.346 -1.833 5.051 5 HB ILE 1 HB ILE 1 24.905 -3.853 3.748 6 HG12 ILE 1 HG12 ILE 1 24.028 -5.298 6.270 7 HG13 ILE 1 HG11 ILE 1 23.240 -5.380 4.694 8 HG21 ILE 1 HG21 ILE 1 26.533 -2.773 5.389 9 HG22 ILE 1 HG22 ILE 1 26.882 -4.447 4.961 10 HG23 ILE 1 HG23 ILE 1 26.125 -4.073 6.509 11 HD11 ILE 1 HD11 ILE 1 25.973 -6.425 5.459 12 HD12 ILE 1 HD12 ILE 1 25.476 -6.224 3.779 13 HD13 ILE 1 HD13 ILE 1 24.600 -7.336 4.830 14 H ASN 2 HN ASN 2 23.005 -1.527 3.309 15 HA ASN 2 HA ASN 2 20.589 -3.139 3.024 16 HB2 ASN 2 HB2 ASN 2 19.072 -1.257 3.149 17 HB3 ASN 2 HB1 ASN 2 19.998 -1.336 4.647 18 HD21 ASN 2 HD21 ASN 2 18.833 1.122 3.867 19 HD22 ASN 2 HD22 ASN 2 20.064 2.198 3.415 20 H CYS 3 HN CYS 3 22.303 -3.450 1.186 21 HA CYS 3 HA CYS 3 22.968 -3.077 -0.994 22 HB2 CYS 3 HB2 CYS 3 20.036 -2.381 -0.980 23 HB3 CYS 3 HB1 CYS 3 20.984 -2.374 -2.467 24 H ASP 4 HN ASP 4 23.849 0.511 -1.077 25 HA ASP 4 HA ASP 4 25.721 -0.635 -0.392 26 HB2 ASP 4 HB2 ASP 4 23.770 -1.503 1.315 27 HB3 ASP 4 HB1 ASP 4 24.299 -3.019 0.588 28 H DPN 5 HN DPN 5 26.950 -2.667 -0.831 29 HA DPN 5 HA DPN 5 27.706 -4.254 -2.309 30 HB2 DPN 5 HB2 DPN 5 25.831 -2.719 -4.116 31 HB3 DPN 5 HB1 DPN 5 27.585 -2.562 -3.999 32 HD1 DPN 5 HD1 DPN 5 28.788 -5.042 -4.180 33 HD2 DPN 5 HD2 DPN 5 25.090 -3.845 -6.008 34 HE1 DPN 5 HE1 DPN 5 29.061 -6.814 -5.894 35 HE2 DPN 5 HE2 DPN 5 25.364 -5.615 -7.722 36 HZ DPN 5 HZ DPN 5 27.350 -7.101 -7.666 37 H LEU 6 HN LEU 6 25.516 -4.911 -0.565 38 HA LEU 6 HA LEU 6 24.849 -7.447 -1.372 39 HB2 LEU 6 HB2 LEU 6 24.275 -5.902 0.818 40 HB3 LEU 6 HB1 LEU 6 22.679 -6.110 0.095 41 HG LEU 6 HG LEU 6 24.609 -8.373 0.685 42 HD11 LEU 6 HD11 LEU 6 23.224 -8.899 2.577 43 HD12 LEU 6 HD12 LEU 6 22.034 -7.680 2.118 44 HD13 LEU 6 HD13 LEU 6 23.621 -7.185 2.704 45 HD21 LEU 6 HD21 LEU 6 22.400 -9.675 0.346 46 HD22 LEU 6 HD22 LEU 6 23.198 -9.049 -1.096 47 HD23 LEU 6 HD23 LEU 6 21.804 -8.205 -0.424 48 H LEU 7 HN LEU 7 23.785 -4.559 -2.758 49 HA LEU 7 HA LEU 7 22.404 -4.187 -4.569 50 HB2 LEU 7 HB2 LEU 7 23.032 -6.814 -4.870 51 HB3 LEU 7 HB1 LEU 7 21.284 -6.919 -4.658 52 HG LEU 7 HG LEU 7 22.609 -5.012 -6.601 53 HD11 LEU 7 HD11 LEU 7 21.523 -7.810 -7.003 54 HD12 LEU 7 HD12 LEU 7 23.145 -7.224 -7.371 55 HD13 LEU 7 HD13 LEU 7 21.771 -6.675 -8.329 56 HD21 LEU 7 HD21 LEU 7 20.371 -4.338 -5.956 57 HD22 LEU 7 HD22 LEU 7 19.765 -5.979 -6.177 58 HD23 LEU 7 HD23 LEU 7 20.280 -5.034 -7.574 Start of MODEL 4 1 H1 ILE 1 HT1 ILE 1 23.907 -4.075 6.640 2 H2 ILE 1 HT2 ILE 1 23.075 -2.702 7.197 3 H3 ILE 1 HT3 ILE 1 24.773 -2.721 7.181 4 HA ILE 1 HA ILE 1 23.952 -1.401 5.351 5 HB ILE 1 HB ILE 1 25.100 -2.634 3.523 6 HG12 ILE 1 HG12 ILE 1 25.143 -4.898 5.548 7 HG13 ILE 1 HG11 ILE 1 24.198 -4.878 4.059 8 HG21 ILE 1 HG21 ILE 1 26.366 -1.443 5.341 9 HG22 ILE 1 HG22 ILE 1 27.261 -2.779 4.615 10 HG23 ILE 1 HG23 ILE 1 26.497 -2.982 6.192 11 HD11 ILE 1 HD11 ILE 1 27.219 -4.822 4.295 12 HD12 ILE 1 HD12 ILE 1 26.344 -4.594 2.780 13 HD13 ILE 1 HD13 ILE 1 26.231 -6.129 3.641 14 H ASN 2 HN ASN 2 22.538 -1.147 3.635 15 HA ASN 2 HA ASN 2 20.595 -3.335 3.201 16 HB2 ASN 2 HB2 ASN 2 20.016 -0.366 3.338 17 HB3 ASN 2 HB1 ASN 2 18.841 -1.625 2.959 18 HD21 ASN 2 HD21 ASN 2 19.563 -3.598 4.863 19 HD22 ASN 2 HD22 ASN 2 19.289 -2.984 6.422 20 H CYS 3 HN CYS 3 22.671 -3.328 1.551 21 HA CYS 3 HA CYS 3 23.327 -3.173 -0.645 22 HB2 CYS 3 HB2 CYS 3 21.253 -4.327 -1.091 23 HB3 CYS 3 HB1 CYS 3 20.340 -2.823 -0.971 24 H ASP 4 HN ASP 4 23.674 0.438 -1.211 25 HA ASP 4 HA ASP 4 25.736 -0.448 -0.723 26 HB2 ASP 4 HB2 ASP 4 24.009 -1.455 1.249 27 HB3 ASP 4 HB1 ASP 4 24.936 -2.843 0.682 28 H DPN 5 HN DPN 5 27.051 -2.541 -0.971 29 HA DPN 5 HA DPN 5 27.766 -4.245 -2.336 30 HB2 DPN 5 HB2 DPN 5 25.792 -2.855 -4.143 31 HB3 DPN 5 HB1 DPN 5 27.553 -2.780 -4.187 32 HD1 DPN 5 HD1 DPN 5 28.553 -5.405 -4.136 33 HD2 DPN 5 HD2 DPN 5 24.912 -4.028 -5.950 34 HE1 DPN 5 HE1 DPN 5 28.599 -7.335 -5.692 35 HE2 DPN 5 HE2 DPN 5 24.957 -5.958 -7.507 36 HZ DPN 5 HZ DPN 5 26.801 -7.612 -7.377 37 H LEU 6 HN LEU 6 25.062 -4.321 -0.710 38 HA LEU 6 HA LEU 6 24.588 -7.109 -1.175 39 HB2 LEU 6 HB2 LEU 6 24.208 -5.429 0.952 40 HB3 LEU 6 HB1 LEU 6 22.558 -5.628 0.359 41 HG LEU 6 HG LEU 6 24.456 -7.927 0.913 42 HD11 LEU 6 HD11 LEU 6 22.812 -8.302 2.849 43 HD12 LEU 6 HD12 LEU 6 22.284 -6.641 2.578 44 HD13 LEU 6 HD13 LEU 6 23.955 -6.971 3.037 45 HD21 LEU 6 HD21 LEU 6 22.764 -8.474 -0.746 46 HD22 LEU 6 HD22 LEU 6 21.498 -7.764 0.255 47 HD23 LEU 6 HD23 LEU 6 22.315 -9.237 0.779 48 H LEU 7 HN LEU 7 24.053 -5.201 -3.407 49 HA LEU 7 HA LEU 7 22.556 -5.058 -5.146 50 HB2 LEU 7 HB2 LEU 7 22.308 -7.552 -4.569 51 HB3 LEU 7 HB1 LEU 7 20.830 -7.081 -3.728 52 HG LEU 7 HG LEU 7 20.498 -5.765 -6.087 53 HD11 LEU 7 HD11 LEU 7 21.265 -7.060 -7.919 54 HD12 LEU 7 HD12 LEU 7 21.693 -8.421 -6.885 55 HD13 LEU 7 HD13 LEU 7 22.660 -6.947 -6.847 56 HD21 LEU 7 HD21 LEU 7 19.078 -7.782 -6.727 57 HD22 LEU 7 HD22 LEU 7 18.780 -7.133 -5.114 58 HD23 LEU 7 HD23 LEU 7 19.746 -8.595 -5.311 Start of MODEL 5 1 H1 ILE 1 HT1 ILE 1 23.511 -1.800 7.562 2 H2 ILE 1 HT2 ILE 1 24.451 -3.209 7.430 3 H3 ILE 1 HT3 ILE 1 22.771 -3.281 7.191 4 HA ILE 1 HA ILE 1 24.021 -1.386 5.455 5 HB ILE 1 HB ILE 1 25.159 -3.055 4.043 6 HG12 ILE 1 HG12 ILE 1 24.499 -4.937 6.334 7 HG13 ILE 1 HG11 ILE 1 23.865 -5.032 4.690 8 HG21 ILE 1 HG21 ILE 1 27.131 -3.305 5.392 9 HG22 ILE 1 HG22 ILE 1 26.190 -3.255 6.883 10 HG23 ILE 1 HG23 ILE 1 26.360 -1.801 5.900 11 HD11 ILE 1 HD11 ILE 1 26.273 -5.232 3.897 12 HD12 ILE 1 HD12 ILE 1 25.666 -6.611 4.813 13 HD13 ILE 1 HD13 ILE 1 26.727 -5.435 5.588 14 H ASN 2 HN ASN 2 22.771 -1.251 3.621 15 HA ASN 2 HA ASN 2 20.808 -3.354 3.070 16 HB2 ASN 2 HB2 ASN 2 19.712 -1.770 4.645 17 HB3 ASN 2 HB1 ASN 2 20.003 -0.467 3.495 18 HD21 ASN 2 HD21 ASN 2 18.407 -3.691 3.703 19 HD22 ASN 2 HD22 ASN 2 17.190 -3.321 2.580 20 H CYS 3 HN CYS 3 22.198 -3.612 1.208 21 HA CYS 3 HA CYS 3 22.972 -3.128 -0.922 22 HB2 CYS 3 HB2 CYS 3 20.047 -2.470 -0.875 23 HB3 CYS 3 HB1 CYS 3 20.979 -2.200 -2.346 24 H ASP 4 HN ASP 4 23.961 0.428 -0.891 25 HA ASP 4 HA ASP 4 25.810 -0.817 -0.321 26 HB2 ASP 4 HB2 ASP 4 23.846 -1.749 1.362 27 HB3 ASP 4 HB1 ASP 4 24.377 -3.222 0.553 28 H DPN 5 HN DPN 5 27.052 -2.650 -1.070 29 HA DPN 5 HA DPN 5 27.742 -4.103 -2.710 30 HB2 DPN 5 HB2 DPN 5 25.509 -2.687 -4.169 31 HB3 DPN 5 HB1 DPN 5 27.246 -2.429 -4.330 32 HD1 DPN 5 HD1 DPN 5 28.486 -4.927 -4.677 33 HD2 DPN 5 HD2 DPN 5 24.593 -3.723 -6.039 34 HE1 DPN 5 HE1 DPN 5 28.578 -6.648 -6.460 35 HE2 DPN 5 HE2 DPN 5 24.686 -5.444 -7.822 36 HZ DPN 5 HZ DPN 5 26.678 -6.907 -8.033 37 H LEU 6 HN LEU 6 25.223 -4.559 -0.868 38 HA LEU 6 HA LEU 6 24.895 -7.304 -1.586 39 HB2 LEU 6 HB2 LEU 6 24.531 -5.845 0.711 40 HB3 LEU 6 HB1 LEU 6 22.870 -6.161 0.209 41 HG LEU 6 HG LEU 6 25.012 -8.295 0.421 42 HD11 LEU 6 HD11 LEU 6 24.011 -8.943 2.510 43 HD12 LEU 6 HD12 LEU 6 22.697 -7.783 2.307 44 HD13 LEU 6 HD13 LEU 6 24.337 -7.213 2.617 45 HD21 LEU 6 HD21 LEU 6 22.964 -9.781 0.354 46 HD22 LEU 6 HD22 LEU 6 23.272 -8.903 -1.144 47 HD23 LEU 6 HD23 LEU 6 22.014 -8.347 -0.040 48 H LEU 7 HN LEU 7 23.975 -5.036 -3.446 49 HA LEU 7 HA LEU 7 22.389 -4.972 -5.129 50 HB2 LEU 7 HB2 LEU 7 22.250 -7.525 -4.573 51 HB3 LEU 7 HB1 LEU 7 20.751 -7.077 -3.758 52 HG LEU 7 HG LEU 7 20.449 -5.730 -6.097 53 HD11 LEU 7 HD11 LEU 7 22.652 -6.855 -6.832 54 HD12 LEU 7 HD12 LEU 7 21.284 -6.966 -7.940 55 HD13 LEU 7 HD13 LEU 7 21.712 -8.345 -6.926 56 HD21 LEU 7 HD21 LEU 7 19.760 -8.634 -5.544 57 HD22 LEU 7 HD22 LEU 7 18.999 -7.637 -6.784 58 HD23 LEU 7 HD23 LEU 7 18.797 -7.231 -5.079 Start of MODEL 6 1 H1 ILE 1 HT1 ILE 1 24.437 -3.317 7.334 2 H2 ILE 1 HT2 ILE 1 22.754 -3.137 7.177 3 H3 ILE 1 HT3 ILE 1 23.741 -1.772 7.399 4 HA ILE 1 HA ILE 1 24.160 -1.582 5.243 5 HB ILE 1 HB ILE 1 24.978 -3.500 3.917 6 HG12 ILE 1 HG12 ILE 1 24.250 -5.081 6.406 7 HG13 ILE 1 HG11 ILE 1 23.485 -5.224 4.822 8 HG21 ILE 1 HG21 ILE 1 26.156 -3.583 6.706 9 HG22 ILE 1 HG22 ILE 1 26.449 -2.262 5.576 10 HG23 ILE 1 HG23 ILE 1 26.985 -3.895 5.182 11 HD11 ILE 1 HD11 ILE 1 25.821 -5.772 3.915 12 HD12 ILE 1 HD12 ILE 1 25.060 -7.009 4.915 13 HD13 ILE 1 HD13 ILE 1 26.310 -5.970 5.598 14 H ASN 2 HN ASN 2 22.846 -1.418 3.456 15 HA ASN 2 HA ASN 2 20.624 -3.282 3.111 16 HB2 ASN 2 HB2 ASN 2 18.919 -1.565 3.178 17 HB3 ASN 2 HB1 ASN 2 19.803 -1.545 4.703 18 HD21 ASN 2 HD21 ASN 2 18.442 0.785 3.958 19 HD22 ASN 2 HD22 ASN 2 19.559 1.979 3.503 20 H CYS 3 HN CYS 3 22.392 -3.438 1.315 21 HA CYS 3 HA CYS 3 22.992 -3.108 -0.880 22 HB2 CYS 3 HB2 CYS 3 20.069 -2.459 -0.796 23 HB3 CYS 3 HB1 CYS 3 20.968 -2.195 -2.290 24 H ASP 4 HN ASP 4 23.986 0.450 -0.927 25 HA ASP 4 HA ASP 4 25.841 -0.788 -0.362 26 HB2 ASP 4 HB2 ASP 4 23.900 -1.692 1.361 27 HB3 ASP 4 HB1 ASP 4 24.415 -3.178 0.565 28 H DPN 5 HN DPN 5 27.074 -2.627 -1.104 29 HA DPN 5 HA DPN 5 27.744 -4.102 -2.733 30 HB2 DPN 5 HB2 DPN 5 25.496 -2.699 -4.181 31 HB3 DPN 5 HB1 DPN 5 27.232 -2.447 -4.365 32 HD1 DPN 5 HD1 DPN 5 28.460 -4.953 -4.697 33 HD2 DPN 5 HD2 DPN 5 24.558 -3.751 -6.032 34 HE1 DPN 5 HE1 DPN 5 28.527 -6.695 -6.462 35 HE2 DPN 5 HE2 DPN 5 24.625 -5.492 -7.797 36 HZ DPN 5 HZ DPN 5 26.609 -6.964 -8.012 37 H LEU 6 HN LEU 6 25.260 -4.545 -0.850 38 HA LEU 6 HA LEU 6 24.915 -7.294 -1.542 39 HB2 LEU 6 HB2 LEU 6 24.590 -5.818 0.748 40 HB3 LEU 6 HB1 LEU 6 22.921 -6.133 0.275 41 HG LEU 6 HG LEU 6 25.060 -8.270 0.472 42 HD11 LEU 6 HD11 LEU 6 24.110 -8.891 2.582 43 HD12 LEU 6 HD12 LEU 6 22.767 -7.767 2.383 44 HD13 LEU 6 HD13 LEU 6 24.396 -7.153 2.666 45 HD21 LEU 6 HD21 LEU 6 22.057 -8.323 0.055 46 HD22 LEU 6 HD22 LEU 6 23.013 -9.755 0.439 47 HD23 LEU 6 HD23 LEU 6 23.298 -8.881 -1.067 48 H LEU 7 HN LEU 7 23.970 -5.043 -3.409 49 HA LEU 7 HA LEU 7 22.359 -4.989 -5.067 50 HB2 LEU 7 HB2 LEU 7 22.230 -7.539 -4.491 51 HB3 LEU 7 HB1 LEU 7 20.743 -7.086 -3.657 52 HG LEU 7 HG LEU 7 20.406 -5.756 -6.001 53 HD11 LEU 7 HD11 LEU 7 21.212 -7.009 -7.847 54 HD12 LEU 7 HD12 LEU 7 21.654 -8.379 -6.828 55 HD13 LEU 7 HD13 LEU 7 22.595 -6.889 -6.759 56 HD21 LEU 7 HD21 LEU 7 19.051 -7.822 -6.683 57 HD22 LEU 7 HD22 LEU 7 18.691 -7.150 -5.092 58 HD23 LEU 7 HD23 LEU 7 19.693 -8.595 -5.233 Start of MODEL 7 1 H1 ILE 1 HT1 ILE 1 22.882 -2.212 7.390 2 H2 ILE 1 HT2 ILE 1 24.218 -3.260 7.406 3 H3 ILE 1 HT3 ILE 1 22.660 -3.870 7.112 4 HA ILE 1 HA ILE 1 23.737 -1.808 5.323 5 HB ILE 1 HB ILE 1 24.770 -3.575 3.941 6 HG12 ILE 1 HG12 ILE 1 24.097 -5.347 6.313 7 HG13 ILE 1 HG11 ILE 1 23.399 -5.466 4.697 8 HG21 ILE 1 HG21 ILE 1 26.760 -3.841 5.249 9 HG22 ILE 1 HG22 ILE 1 25.858 -3.736 6.761 10 HG23 ILE 1 HG23 ILE 1 26.049 -2.306 5.747 11 HD11 ILE 1 HD11 ILE 1 26.280 -5.950 5.491 12 HD12 ILE 1 HD12 ILE 1 25.747 -5.816 3.815 13 HD13 ILE 1 HD13 ILE 1 25.140 -7.122 4.833 14 H ASN 2 HN ASN 2 22.505 -1.699 3.463 15 HA ASN 2 HA ASN 2 20.457 -3.717 2.958 16 HB2 ASN 2 HB2 ASN 2 18.618 -2.124 2.997 17 HB3 ASN 2 HB1 ASN 2 19.407 -2.153 4.572 18 HD21 ASN 2 HD21 ASN 2 17.917 0.126 3.850 19 HD22 ASN 2 HD22 ASN 2 18.975 1.422 3.568 20 H CYS 3 HN CYS 3 22.114 -3.798 1.163 21 HA CYS 3 HA CYS 3 22.835 -3.271 -0.966 22 HB2 CYS 3 HB2 CYS 3 19.863 -2.885 -0.967 23 HB3 CYS 3 HB1 CYS 3 20.787 -2.502 -2.419 24 H ASP 4 HN ASP 4 23.505 0.358 -0.872 25 HA ASP 4 HA ASP 4 25.443 -0.725 -0.269 26 HB2 ASP 4 HB2 ASP 4 23.527 -1.851 1.352 27 HB3 ASP 4 HB1 ASP 4 24.206 -3.261 0.538 28 H DPN 5 HN DPN 5 26.859 -2.432 -1.007 29 HA DPN 5 HA DPN 5 27.717 -3.790 -2.648 30 HB2 DPN 5 HB2 DPN 5 25.407 -2.549 -4.144 31 HB3 DPN 5 HB1 DPN 5 27.120 -2.141 -4.258 32 HD1 DPN 5 HD1 DPN 5 28.573 -4.522 -4.608 33 HD2 DPN 5 HD2 DPN 5 24.629 -3.626 -6.053 34 HE1 DPN 5 HE1 DPN 5 28.855 -6.198 -6.413 35 HE2 DPN 5 HE2 DPN 5 24.909 -5.304 -7.858 36 HZ DPN 5 HZ DPN 5 27.023 -6.590 -8.038 37 H LEU 6 HN LEU 6 25.208 -4.501 -0.879 38 HA LEU 6 HA LEU 6 25.138 -7.251 -1.654 39 HB2 LEU 6 HB2 LEU 6 24.603 -5.877 0.661 40 HB3 LEU 6 HB1 LEU 6 22.986 -6.324 0.117 41 HG LEU 6 HG LEU 6 25.301 -8.268 0.340 42 HD11 LEU 6 HD11 LEU 6 24.674 -7.484 2.564 43 HD12 LEU 6 HD12 LEU 6 24.057 -9.120 2.333 44 HD13 LEU 6 HD13 LEU 6 22.966 -7.739 2.204 45 HD21 LEU 6 HD21 LEU 6 23.399 -9.927 0.187 46 HD22 LEU 6 HD22 LEU 6 23.656 -8.987 -1.282 47 HD23 LEU 6 HD23 LEU 6 22.331 -8.576 -0.194 48 H LEU 7 HN LEU 7 24.065 -5.042 -3.497 49 HA LEU 7 HA LEU 7 22.515 -5.081 -5.214 50 HB2 LEU 7 HB2 LEU 7 22.593 -7.646 -4.708 51 HB3 LEU 7 HB1 LEU 7 21.043 -7.352 -3.918 52 HG LEU 7 HG LEU 7 20.669 -5.989 -6.238 53 HD11 LEU 7 HD11 LEU 7 22.974 -6.891 -6.951 54 HD12 LEU 7 HD12 LEU 7 21.644 -7.118 -8.086 55 HD13 LEU 7 HD13 LEU 7 22.185 -8.462 -7.080 56 HD21 LEU 7 HD21 LEU 7 19.418 -8.012 -6.994 57 HD22 LEU 7 HD22 LEU 7 19.132 -7.644 -5.293 58 HD23 LEU 7 HD23 LEU 7 20.228 -8.950 -5.740 Start of MODEL 8 1 H1 ILE 1 HT1 ILE 1 23.623 -1.674 7.632 2 H2 ILE 1 HT2 ILE 1 24.343 -3.205 7.470 3 H3 ILE 1 HT3 ILE 1 22.666 -3.025 7.265 4 HA ILE 1 HA ILE 1 23.952 -1.271 5.498 5 HB ILE 1 HB ILE 1 25.168 -2.933 4.126 6 HG12 ILE 1 HG12 ILE 1 24.637 -4.758 6.494 7 HG13 ILE 1 HG11 ILE 1 23.971 -4.946 4.872 8 HG21 ILE 1 HG21 ILE 1 27.150 -3.029 5.487 9 HG22 ILE 1 HG22 ILE 1 26.203 -2.952 6.973 10 HG23 ILE 1 HG23 ILE 1 26.306 -1.542 5.918 11 HD11 ILE 1 HD11 ILE 1 26.857 -5.202 5.736 12 HD12 ILE 1 HD12 ILE 1 26.392 -5.020 4.045 13 HD13 ILE 1 HD13 ILE 1 25.843 -6.421 4.964 14 H ASN 2 HN ASN 2 22.729 -1.231 3.640 15 HA ASN 2 HA ASN 2 20.885 -3.431 3.082 16 HB2 ASN 2 HB2 ASN 2 19.937 -0.596 3.565 17 HB3 ASN 2 HB1 ASN 2 18.937 -1.936 3.008 18 HD21 ASN 2 HD21 ASN 2 19.728 -4.033 4.657 19 HD22 ASN 2 HD22 ASN 2 19.420 -3.645 6.281 20 H CYS 3 HN CYS 3 22.216 -3.652 1.208 21 HA CYS 3 HA CYS 3 22.967 -3.153 -0.926 22 HB2 CYS 3 HB2 CYS 3 20.045 -2.490 -0.846 23 HB3 CYS 3 HB1 CYS 3 20.964 -2.188 -2.320 24 H ASP 4 HN ASP 4 23.977 0.397 -0.839 25 HA ASP 4 HA ASP 4 25.820 -0.864 -0.286 26 HB2 ASP 4 HB2 ASP 4 23.854 -1.811 1.383 27 HB3 ASP 4 HB1 ASP 4 24.367 -3.275 0.545 28 H DPN 5 HN DPN 5 27.057 -2.681 -1.070 29 HA DPN 5 HA DPN 5 27.746 -4.102 -2.739 30 HB2 DPN 5 HB2 DPN 5 25.511 -2.658 -4.164 31 HB3 DPN 5 HB1 DPN 5 27.248 -2.400 -4.327 32 HD1 DPN 5 HD1 DPN 5 28.480 -4.895 -4.723 33 HD2 DPN 5 HD2 DPN 5 24.587 -3.657 -6.052 34 HE1 DPN 5 HE1 DPN 5 28.564 -6.582 -6.538 35 HE2 DPN 5 HE2 DPN 5 24.670 -5.345 -7.868 36 HZ DPN 5 HZ DPN 5 26.659 -6.806 -8.111 37 H LEU 6 HN LEU 6 25.222 -4.590 -0.906 38 HA LEU 6 HA LEU 6 24.896 -7.323 -1.677 39 HB2 LEU 6 HB2 LEU 6 24.085 -5.597 0.540 40 HB3 LEU 6 HB1 LEU 6 22.854 -6.784 0.104 41 HG LEU 6 HG LEU 6 25.738 -7.603 0.396 42 HD11 LEU 6 HD11 LEU 6 25.172 -8.248 2.747 43 HD12 LEU 6 HD12 LEU 6 23.652 -7.372 2.586 44 HD13 LEU 6 HD13 LEU 6 25.184 -6.503 2.500 45 HD21 LEU 6 HD21 LEU 6 24.837 -9.779 0.602 46 HD22 LEU 6 HD22 LEU 6 23.830 -9.030 -0.636 47 HD23 LEU 6 HD23 LEU 6 23.235 -9.171 1.017 48 H LEU 7 HN LEU 7 23.964 -5.007 -3.477 49 HA LEU 7 HA LEU 7 22.377 -4.925 -5.161 50 HB2 LEU 7 HB2 LEU 7 22.224 -7.485 -4.624 51 HB3 LEU 7 HB1 LEU 7 20.724 -7.032 -3.813 52 HG LEU 7 HG LEU 7 20.440 -5.664 -6.141 53 HD11 LEU 7 HD11 LEU 7 22.642 -6.792 -6.875 54 HD12 LEU 7 HD12 LEU 7 21.280 -6.887 -7.992 55 HD13 LEU 7 HD13 LEU 7 21.697 -8.276 -6.990 56 HD21 LEU 7 HD21 LEU 7 19.079 -7.693 -6.886 57 HD22 LEU 7 HD22 LEU 7 18.713 -7.083 -5.271 58 HD23 LEU 7 HD23 LEU 7 19.710 -8.525 -5.464 Start of MODEL 9 1 H1 ILE 1 HT1 ILE 1 23.633 -1.005 6.747 2 H2 ILE 1 HT2 ILE 1 24.404 -2.323 7.493 3 H3 ILE 1 HT3 ILE 1 22.730 -2.365 7.204 4 HA ILE 1 HA ILE 1 24.463 -1.967 4.892 5 HB ILE 1 HB ILE 1 25.734 -3.725 5.765 6 HG12 ILE 1 HG12 ILE 1 23.476 -5.314 4.535 7 HG13 ILE 1 HG11 ILE 1 24.507 -4.265 3.560 8 HG21 ILE 1 HG21 ILE 1 24.613 -5.671 6.960 9 HG22 ILE 1 HG22 ILE 1 23.128 -4.718 6.945 10 HG23 ILE 1 HG23 ILE 1 24.547 -4.128 7.812 11 HD11 ILE 1 HD11 ILE 1 25.432 -6.573 5.296 12 HD12 ILE 1 HD12 ILE 1 26.504 -5.484 4.417 13 HD13 ILE 1 HD13 ILE 1 25.403 -6.540 3.532 14 H ASN 2 HN ASN 2 22.948 -1.585 3.404 15 HA ASN 2 HA ASN 2 20.777 -3.474 3.024 16 HB2 ASN 2 HB2 ASN 2 18.997 -1.815 3.135 17 HB3 ASN 2 HB1 ASN 2 19.843 -1.881 4.680 18 HD21 ASN 2 HD21 ASN 2 18.433 0.454 4.097 19 HD22 ASN 2 HD22 ASN 2 19.518 1.713 3.749 20 H CYS 3 HN CYS 3 22.341 -3.618 1.160 21 HA CYS 3 HA CYS 3 22.977 -3.133 -1.005 22 HB2 CYS 3 HB2 CYS 3 20.052 -2.409 -0.918 23 HB3 CYS 3 HB1 CYS 3 20.986 -2.316 -2.412 24 H ASP 4 HN ASP 4 23.902 0.443 -0.870 25 HA ASP 4 HA ASP 4 25.761 -0.763 -0.252 26 HB2 ASP 4 HB2 ASP 4 23.799 -1.707 1.400 27 HB3 ASP 4 HB1 ASP 4 24.310 -3.183 0.585 28 H DPN 5 HN DPN 5 26.965 -2.785 -0.808 29 HA DPN 5 HA DPN 5 27.703 -4.293 -2.374 30 HB2 DPN 5 HB2 DPN 5 25.858 -2.623 -4.091 31 HB3 DPN 5 HB1 DPN 5 27.612 -2.502 -3.962 32 HD1 DPN 5 HD1 DPN 5 28.772 -4.993 -4.282 33 HD2 DPN 5 HD2 DPN 5 25.109 -3.615 -6.053 34 HE1 DPN 5 HE1 DPN 5 29.022 -6.663 -6.099 35 HE2 DPN 5 HE2 DPN 5 25.360 -5.285 -7.870 36 HZ DPN 5 HZ DPN 5 27.315 -6.809 -7.892 37 H LEU 6 HN LEU 6 25.508 -5.030 -0.677 38 HA LEU 6 HA LEU 6 24.802 -7.499 -1.641 39 HB2 LEU 6 HB2 LEU 6 24.249 -6.085 0.641 40 HB3 LEU 6 HB1 LEU 6 22.652 -6.223 -0.094 41 HG LEU 6 HG LEU 6 24.545 -8.549 0.356 42 HD11 LEU 6 HD11 LEU 6 21.964 -7.955 1.817 43 HD12 LEU 6 HD12 LEU 6 23.535 -7.439 2.431 44 HD13 LEU 6 HD13 LEU 6 23.190 -9.156 2.225 45 HD21 LEU 6 HD21 LEU 6 22.317 -9.793 -0.068 46 HD22 LEU 6 HD22 LEU 6 23.130 -9.091 -1.467 47 HD23 LEU 6 HD23 LEU 6 21.747 -8.269 -0.747 48 H LEU 7 HN LEU 7 23.773 -4.512 -2.836 49 HA LEU 7 HA LEU 7 22.400 -4.008 -4.622 50 HB2 LEU 7 HB2 LEU 7 22.999 -6.616 -5.092 51 HB3 LEU 7 HB1 LEU 7 21.250 -6.714 -4.889 52 HG LEU 7 HG LEU 7 22.602 -4.703 -6.705 53 HD11 LEU 7 HD11 LEU 7 23.109 -6.835 -7.653 54 HD12 LEU 7 HD12 LEU 7 21.690 -6.255 -8.524 55 HD13 LEU 7 HD13 LEU 7 21.512 -7.470 -7.258 56 HD21 LEU 7 HD21 LEU 7 20.375 -4.040 -6.010 57 HD22 LEU 7 HD22 LEU 7 19.743 -5.652 -6.345 58 HD23 LEU 7 HD23 LEU 7 20.276 -4.620 -7.673 Start of MODEL 10 1 H1 ILE 1 HT1 ILE 1 24.265 -1.681 7.651 2 H2 ILE 1 HT2 ILE 1 23.026 -2.834 7.484 3 H3 ILE 1 HT3 ILE 1 22.739 -1.209 7.079 4 HA ILE 1 HA ILE 1 24.170 -1.314 5.209 5 HB ILE 1 HB ILE 1 25.991 -2.620 5.871 6 HG12 ILE 1 HG12 ILE 1 24.439 -4.701 4.325 7 HG13 ILE 1 HG11 ILE 1 25.013 -3.221 3.557 8 HG21 ILE 1 HG21 ILE 1 25.618 -5.018 6.694 9 HG22 ILE 1 HG22 ILE 1 23.908 -4.603 6.807 10 HG23 ILE 1 HG23 ILE 1 25.093 -3.732 7.780 11 HD11 ILE 1 HD11 ILE 1 26.597 -5.175 3.344 12 HD12 ILE 1 HD12 ILE 1 26.810 -5.115 5.094 13 HD13 ILE 1 HD13 ILE 1 27.307 -3.747 4.098 14 H ASN 2 HN ASN 2 22.602 -1.265 3.726 15 HA ASN 2 HA ASN 2 21.103 -3.731 3.171 16 HB2 ASN 2 HB2 ASN 2 19.764 -2.182 4.683 17 HB3 ASN 2 HB1 ASN 2 19.727 -1.048 3.333 18 HD21 ASN 2 HD21 ASN 2 17.902 -1.277 2.046 19 HD22 ASN 2 HD22 ASN 2 17.039 -2.721 1.824 20 H CYS 3 HN CYS 3 22.550 -3.819 1.346 21 HA CYS 3 HA CYS 3 23.285 -3.289 -0.786 22 HB2 CYS 3 HB2 CYS 3 21.140 -4.346 -1.246 23 HB3 CYS 3 HB1 CYS 3 20.304 -2.812 -1.006 24 H ASP 4 HN ASP 4 23.708 0.347 -0.964 25 HA ASP 4 HA ASP 4 25.746 -0.615 -0.516 26 HB2 ASP 4 HB2 ASP 4 23.982 -1.741 1.338 27 HB3 ASP 4 HB1 ASP 4 24.840 -3.116 0.642 28 H DPN 5 HN DPN 5 27.031 -2.703 -0.930 29 HA DPN 5 HA DPN 5 27.751 -4.280 -2.437 30 HB2 DPN 5 HB2 DPN 5 25.805 -2.722 -4.137 31 HB3 DPN 5 HB1 DPN 5 27.568 -2.661 -4.159 32 HD1 DPN 5 HD1 DPN 5 28.544 -5.291 -4.319 33 HD2 DPN 5 HD2 DPN 5 24.936 -3.727 -6.048 34 HE1 DPN 5 HE1 DPN 5 28.589 -7.081 -6.034 35 HE2 DPN 5 HE2 DPN 5 24.982 -5.517 -7.763 36 HZ DPN 5 HZ DPN 5 26.808 -7.195 -7.756 37 H LEU 6 HN LEU 6 25.021 -4.463 -0.853 38 HA LEU 6 HA LEU 6 24.536 -7.200 -1.554 39 HB2 LEU 6 HB2 LEU 6 24.144 -5.699 0.702 40 HB3 LEU 6 HB1 LEU 6 22.500 -5.846 0.079 41 HG LEU 6 HG LEU 6 24.390 -8.185 0.458 42 HD11 LEU 6 HD11 LEU 6 23.195 -8.702 2.468 43 HD12 LEU 6 HD12 LEU 6 21.989 -7.456 2.150 44 HD13 LEU 6 HD13 LEU 6 23.636 -6.999 2.587 45 HD21 LEU 6 HD21 LEU 6 21.439 -7.959 -0.209 46 HD22 LEU 6 HD22 LEU 6 22.243 -9.473 0.206 47 HD23 LEU 6 HD23 LEU 6 22.713 -8.597 -1.250 48 H LEU 7 HN LEU 7 24.024 -5.069 -3.602 49 HA LEU 7 HA LEU 7 22.541 -4.753 -5.331 50 HB2 LEU 7 HB2 LEU 7 22.319 -7.295 -5.032 51 HB3 LEU 7 HB1 LEU 7 20.831 -6.937 -4.152 52 HG LEU 7 HG LEU 7 20.507 -5.373 -6.365 53 HD11 LEU 7 HD11 LEU 7 21.282 -6.476 -8.315 54 HD12 LEU 7 HD12 LEU 7 21.693 -7.941 -7.424 55 HD13 LEU 7 HD13 LEU 7 22.671 -6.486 -7.229 56 HD21 LEU 7 HD21 LEU 7 19.006 -7.194 -7.170 57 HD22 LEU 7 HD22 LEU 7 18.840 -6.911 -5.437 58 HD23 LEU 7 HD23 LEU 7 19.764 -8.296 -6.020