NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1294 | 1ag7 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 7.514 9.464 0.497 2 2H ALA 1 3H ALA 1 6.157 9.541 1.520 3 3H ALA 1 2H ALA 1 7.661 10.125 2.055 4 HA ALA 1 HA ALA 1 7.745 8.130 3.065 5 1HB ALA 1 3HB ALA 1 6.001 7.164 0.761 6 2HB ALA 1 2HB ALA 1 6.671 6.061 1.952 7 3HB ALA 1 1HB ALA 1 5.548 7.313 2.450 8 H CYS 2 H CYS 2 9.446 6.794 2.979 9 HA CYS 2 HA CYS 2 11.560 7.132 1.177 10 1HB CYS 2 2HB CYS 2 12.405 4.979 2.264 11 2HB CYS 2 1HB CYS 2 12.044 6.268 3.360 12 H SER 3 H SER 3 12.697 5.125 0.207 13 HA SER 3 HA SER 3 10.936 4.032 -1.924 14 1HB SER 3 2HB SER 3 12.781 4.897 -3.069 15 2HB SER 3 1HB SER 3 13.866 4.725 -1.688 16 HG SER 3 HG SER 3 12.913 2.673 -3.356 17 H GLY 4 H GLY 4 11.232 1.782 -2.554 18 1HA GLY 4 2HA GLY 4 11.810 -0.030 -0.238 19 2HA GLY 4 1HA GLY 4 10.567 -0.326 -1.462 20 H ARG 5 H ARG 5 12.328 -2.298 -1.134 21 HA ARG 5 HA ARG 5 14.686 -2.041 -2.752 22 1HB ARG 5 2HB ARG 5 14.163 -3.785 -0.882 23 2HB ARG 5 1HB ARG 5 13.260 -4.663 -2.094 24 1HG ARG 5 2HG ARG 5 15.648 -4.221 -3.444 25 2HG ARG 5 1HG ARG 5 16.217 -4.307 -1.789 26 1HD ARG 5 2HD ARG 5 14.495 -6.428 -3.129 27 2HD ARG 5 1HD ARG 5 16.232 -6.545 -2.860 28 HE ARG 5 HE ARG 5 15.410 -6.096 -0.336 29 1HH1 ARG 5 2HH1 ARG 5 12.630 -6.851 -1.098 30 2HH1 ARG 5 1HH1 ARG 5 12.605 -8.554 -0.777 31 1HH2 ARG 5 1HH2 ARG 5 16.098 -8.753 -0.682 32 2HH2 ARG 5 2HH2 ARG 5 14.640 -9.685 -0.538 33 H GLY 6 H GLY 6 13.867 -1.102 -4.621 34 1HA GLY 6 2HA GLY 6 13.662 -2.512 -6.937 35 2HA GLY 6 1HA GLY 6 11.997 -2.490 -6.401 36 H SER 7 H SER 7 13.137 0.258 -5.143 37 HA SER 7 HA SER 7 12.689 1.899 -7.614 38 1HB SER 7 2HB SER 7 11.704 3.566 -5.663 39 2HB SER 7 1HB SER 7 10.660 2.400 -6.481 40 HG SER 7 HG SER 7 11.997 2.159 -4.031 41 H ARG 8 H ARG 8 13.940 3.789 -7.723 42 HA ARG 8 HA ARG 8 16.443 3.667 -6.237 43 1HB ARG 8 2HB ARG 8 17.074 5.591 -7.723 44 2HB ARG 8 1HB ARG 8 16.489 4.197 -8.578 45 1HG ARG 8 2HG ARG 8 14.270 6.010 -7.903 46 2HG ARG 8 1HG ARG 8 15.517 6.849 -8.784 47 1HD ARG 8 2HD ARG 8 14.090 4.320 -9.708 48 2HD ARG 8 1HD ARG 8 13.938 5.925 -10.410 49 HE ARG 8 HE ARG 8 16.451 4.297 -10.486 50 1HH1 ARG 8 2HH1 ARG 8 15.416 7.365 -11.213 51 2HH1 ARG 8 1HH1 ARG 8 15.872 7.322 -12.884 52 1HH2 ARG 8 1HH2 ARG 8 16.562 3.894 -12.816 53 2HH2 ARG 8 2HH2 ARG 8 16.535 5.306 -13.818 54 H CYS 9 H CYS 9 17.237 6.177 -5.933 55 HA CYS 9 HA CYS 9 15.399 7.357 -3.964 56 1HB CYS 9 2HB CYS 9 17.180 7.778 -2.475 57 2HB CYS 9 1HB CYS 9 17.375 6.135 -2.998 58 HA HYP 10 HA HYP 10 15.239 9.006 -2.800 59 1HB HYP 10 1HB HYP 10 15.051 11.066 -1.930 60 2HB HYP 10 2HB HYP 10 13.644 11.335 -2.930 61 1HD HYP 10 1HD1 HYP 10 17.311 11.401 -4.924 62 2HD HYP 10 2HD1 HYP 10 15.851 11.417 -5.920 63 HOD HYP 10 HD2 HYP 10 16.824 13.398 -3.359 64 HG HYP 10 HG HYP 10 14.949 12.858 -4.277 65 HA HYP 11 HA HYP 11 12.679 9.944 -1.668 66 1HB HYP 11 1HB HYP 11 10.621 9.212 -1.144 67 2HB HYP 11 2HB HYP 11 11.330 7.658 -0.743 68 1HD HYP 11 1HD1 HYP 11 10.764 9.061 -4.495 69 2HD HYP 11 2HD1 HYP 11 11.530 7.474 -4.700 70 HOD HYP 11 HD2 HYP 11 8.952 8.126 -1.888 71 HG HYP 11 HG HYP 11 10.576 6.656 -2.707 72 H GLN 12 H GLN 12 14.126 9.568 -0.078 73 HA GLN 12 HA GLN 12 16.351 7.921 -0.381 74 1HB GLN 12 2HB GLN 12 15.056 8.836 2.230 75 2HB GLN 12 1HB GLN 12 16.705 8.248 2.087 76 1HG GLN 12 2HG GLN 12 17.226 10.116 0.499 77 2HG GLN 12 1HG GLN 12 15.586 10.724 0.681 78 1HE2 GLN 12 2HE2 GLN 12 16.149 12.106 3.898 79 2HE2 GLN 12 1HE2 GLN 12 14.969 11.622 2.778 80 H CYS 13 H CYS 13 16.680 5.744 -0.154 81 HA CYS 13 HA CYS 13 14.545 3.929 0.093 82 1HB CYS 13 2HB CYS 13 17.179 2.976 1.072 83 2HB CYS 13 1HB CYS 13 16.064 2.295 -0.065 84 H CYS 14 H CYS 14 13.599 2.890 1.625 85 HA CYS 14 HA CYS 14 13.321 3.878 4.223 86 1HB CYS 14 2HB CYS 14 12.720 1.121 3.136 87 2HB CYS 14 1HB CYS 14 12.089 1.728 4.634 88 H MET 15 H MET 15 13.508 2.438 6.204 89 HA MET 15 HA MET 15 16.197 2.141 6.925 90 1HB MET 15 2HB MET 15 14.212 2.381 8.489 91 2HB MET 15 1HB MET 15 13.803 0.710 8.172 92 1HG MET 15 2HG MET 15 15.217 0.076 9.793 93 2HG MET 15 1HG MET 15 16.561 0.710 8.898 94 1HE MET 15 3HE MET 15 18.118 2.345 9.697 95 2HE MET 15 2HE MET 15 16.986 3.544 9.026 96 3HE MET 15 1HE MET 15 17.683 3.767 10.622 97 H GLY 16 H GLY 16 17.643 0.647 6.616 98 1HA GLY 16 2HA GLY 16 18.441 -1.615 6.578 99 2HA GLY 16 1HA GLY 16 16.882 -2.121 5.951 100 H LEU 17 H LEU 17 16.874 0.176 4.008 101 HA LEU 17 HA LEU 17 18.525 -1.148 1.988 102 1HB LEU 17 2HB LEU 17 16.237 0.809 1.831 103 2HB LEU 17 1HB LEU 17 17.273 0.569 0.447 104 HG LEU 17 HG LEU 17 16.644 -2.056 1.307 105 1HD1 LEU 17 1HD1 LEU 17 14.191 -0.277 1.139 106 2HD1 LEU 17 3HD1 LEU 17 14.168 -2.034 1.113 107 3HD1 LEU 17 2HD1 LEU 17 14.716 -1.186 2.557 108 1HD2 LEU 17 1HD2 LEU 17 16.896 -0.838 -1.060 109 2HD2 LEU 17 3HD2 LEU 17 16.017 -2.334 -0.875 110 3HD2 LEU 17 2HD2 LEU 17 15.152 -0.806 -0.962 111 H ARG 18 H ARG 18 19.460 0.088 0.357 112 HA ARG 18 HA ARG 18 20.692 2.697 0.984 113 1HB ARG 18 2HB ARG 18 22.816 1.537 -0.118 114 2HB ARG 18 1HB ARG 18 22.538 1.418 1.604 115 1HG ARG 18 2HG ARG 18 21.719 -0.811 1.401 116 2HG ARG 18 1HG ARG 18 21.447 -0.660 -0.319 117 1HD ARG 18 2HD ARG 18 23.986 -0.410 -0.607 118 2HD ARG 18 1HD ARG 18 24.140 -0.881 1.086 119 HE ARG 18 HE ARG 18 22.502 -2.794 -0.273 120 1HH1 ARG 18 1HH2 ARG 18 25.199 -1.824 -1.760 121 2HH1 ARG 18 2HH2 ARG 18 26.155 -3.238 -1.463 122 1HH2 ARG 18 2HH1 ARG 18 23.886 -4.524 0.867 123 2HH2 ARG 18 1HH1 ARG 18 25.405 -4.802 0.079 124 H CYS 19 H CYS 19 21.244 3.773 -0.859 125 HA CYS 19 HA CYS 19 19.629 3.201 -3.211 126 1HB CYS 19 2HB CYS 19 20.290 5.472 -2.174 127 2HB CYS 19 1HB CYS 19 21.776 5.323 -3.062 128 H GLY 20 H GLY 20 20.301 1.400 -4.351 129 1HA GLY 20 2HA GLY 20 23.081 0.890 -5.019 130 2HA GLY 20 1HA GLY 20 21.675 0.027 -5.638 131 H ARG 21 H ARG 21 24.069 2.230 -6.414 132 HA ARG 21 HA ARG 21 22.794 3.814 -8.388 133 1HB ARG 21 2HB ARG 21 25.173 4.158 -9.208 134 2HB ARG 21 1HB ARG 21 24.911 4.529 -7.520 135 1HG ARG 21 2HG ARG 21 26.200 2.779 -6.759 136 2HG ARG 21 1HG ARG 21 25.739 1.698 -8.054 137 1HD ARG 21 2HD ARG 21 27.394 4.047 -8.918 138 2HD ARG 21 1HD ARG 21 28.203 2.892 -7.874 139 HE ARG 21 HE ARG 21 28.337 1.509 -9.741 140 1HH1 ARG 21 2HH1 ARG 21 26.228 0.132 -10.320 141 2HH1 ARG 21 1HH1 ARG 21 25.360 0.875 -11.620 142 1HH2 ARG 21 1HH2 ARG 21 26.960 3.961 -11.192 143 2HH2 ARG 21 2HH2 ARG 21 25.783 3.102 -12.127 144 H GLY 22 H GLY 22 23.218 3.726 -10.691 145 1HA GLY 22 2HA GLY 22 24.112 2.099 -12.520 146 2HA GLY 22 1HA GLY 22 22.988 0.953 -11.783 147 H ASN 23 H ASN 23 22.308 1.164 -14.192 148 HA ASN 23 HA ASN 23 20.103 3.155 -14.328 149 1HB ASN 23 2HB ASN 23 20.661 2.954 -16.927 150 2HB ASN 23 1HB ASN 23 21.515 4.111 -15.921 151 1HD2 ASN 23 2HD2 ASN 23 24.617 2.369 -16.108 152 2HD2 ASN 23 1HD2 ASN 23 23.727 3.515 -15.228 153 HA PRO 24 HA PRO 24 18.119 3.166 -14.306 154 1HB PRO 24 2HB PRO 24 15.923 1.926 -13.161 155 2HB PRO 24 1HB PRO 24 15.976 2.695 -14.738 156 1HG PRO 24 2HG PRO 24 15.867 -0.186 -14.114 157 2HG PRO 24 1HG PRO 24 15.573 0.617 -15.650 158 1HD PRO 24 2HD PRO 24 17.946 -0.840 -14.869 159 2HD PRO 24 1HD PRO 24 17.677 0.030 -16.388 160 H GLN 25 H GLN 25 18.401 3.984 -12.273 161 HA GLN 25 HA GLN 25 19.927 2.579 -10.312 162 1HB GLN 25 2HB GLN 25 18.220 5.101 -10.101 163 2HB GLN 25 1HB GLN 25 19.170 4.502 -8.756 164 1HG GLN 25 2HG GLN 25 21.216 4.625 -10.264 165 2HG GLN 25 1HG GLN 25 20.203 5.445 -11.453 166 1HE2 GLN 25 2HE2 GLN 25 21.658 7.503 -8.317 167 2HE2 GLN 25 1HE2 GLN 25 22.095 5.892 -8.626 168 H LYS 26 H LYS 26 19.310 1.736 -8.252 169 HA LYS 26 HA LYS 26 16.501 1.524 -7.512 170 1HB LYS 26 2HB LYS 26 16.709 -0.224 -9.297 171 2HB LYS 26 1HB LYS 26 17.985 -0.994 -8.373 172 1HG LYS 26 2HG LYS 26 16.015 -0.917 -6.467 173 2HG LYS 26 1HG LYS 26 15.048 -0.890 -7.921 174 1HD LYS 26 2HD LYS 26 17.288 -2.924 -7.582 175 2HD LYS 26 1HD LYS 26 15.716 -3.219 -6.880 176 1HE LYS 26 2HE LYS 26 14.633 -3.096 -9.071 177 2HE LYS 26 1HE LYS 26 16.125 -2.566 -9.832 178 1HZ LYS 26 3HZ LYS 26 15.716 -5.177 -8.502 179 2HZ LYS 26 2HZ LYS 26 15.722 -4.905 -10.180 180 3HZ LYS 26 1HZ LYS 26 17.138 -4.659 -9.274 181 H CYS 27 H CYS 27 16.284 1.238 -5.311 182 HA CYS 27 HA CYS 27 18.662 1.092 -3.722 183 1HB CYS 27 2HB CYS 27 15.761 0.836 -2.810 184 2HB CYS 27 1HB CYS 27 17.159 1.083 -1.829 185 H ILE 28 H ILE 28 19.256 -0.585 -2.376 186 HA ILE 28 HA ILE 28 17.944 -3.239 -2.660 187 HB ILE 28 HB ILE 28 20.178 -4.266 -2.841 188 1HG1 ILE 28 2HG1 ILE 28 21.281 -2.294 -1.545 189 2HG1 ILE 28 1HG1 ILE 28 22.172 -3.120 -2.756 190 1HG2 ILE 28 3HG2 ILE 28 19.692 -2.154 -4.983 191 2HG2 ILE 28 2HG2 ILE 28 20.846 -3.467 -5.129 192 3HG2 ILE 28 1HG2 ILE 28 19.137 -3.816 -4.974 193 1HD1 ILE 28 3HD1 ILE 28 20.726 -0.714 -3.703 194 2HD1 ILE 28 2HD1 ILE 28 22.075 -0.466 -2.608 195 3HD1 ILE 28 1HD1 ILE 28 22.319 -1.336 -4.110 196 H GLY 29 H GLY 29 19.398 -4.603 -0.867 197 1HA GLY 29 2HA GLY 29 18.986 -3.045 1.595 198 2HA GLY 29 1HA GLY 29 19.019 -4.767 1.518 199 H ALA 30 H ALA 30 20.509 -2.620 3.013 200 HA ALA 30 HA ALA 30 23.329 -2.867 2.260 201 1HB ALA 30 1HB ALA 30 21.723 -1.278 4.154 202 2HB ALA 30 3HB ALA 30 23.190 -1.879 4.907 203 3HB ALA 30 2HB ALA 30 23.287 -0.907 3.452 204 H HIS 31 H HIS 31 21.158 -4.010 4.729 205 HA HIS 31 HA HIS 31 23.152 -5.877 5.846 206 1HB HIS 31 2HB HIS 31 21.341 -4.479 7.184 207 2HB HIS 31 1HB HIS 31 20.219 -5.736 6.684 208 HD1 HIS 31 HD1 HIS 31 23.330 -5.323 8.708 209 HD2 HIS 31 HD2 HIS 31 20.495 -8.184 8.037 210 HE1 HIS 31 HE1 HIS 31 23.739 -7.108 10.360 211 1HN CGU 32 HN CGU 32 22.208 -6.097 3.179 212 HA CGU 32 HA CGU 32 21.095 -8.872 3.132 213 1HB CGU 32 1HB CGU 32 20.666 -6.491 1.267 214 2HB CGU 32 2HB CGU 32 19.422 -7.342 2.145 215 HG CGU 32 HG CGU 32 21.066 -8.423 -0.177 216 H ASP 33 H ASP 33 23.184 -9.504 3.405 217 HA ASP 33 HA ASP 33 25.179 -8.898 1.296 218 1HB ASP 33 2HB ASP 33 25.535 -10.270 3.995 219 2HB ASP 33 1HB ASP 33 26.803 -9.640 2.960 220 H VAL 34 H VAL 34 22.994 -10.542 0.753 221 HA VAL 34 HA VAL 34 24.358 -13.105 0.084 222 HB VAL 34 HB VAL 34 21.381 -13.023 0.738 223 1HG1 VAL 34 1HG1 VAL 34 22.313 -14.995 -0.455 224 2HG1 VAL 34 3HG1 VAL 34 23.469 -15.239 0.845 225 3HG1 VAL 34 2HG1 VAL 34 21.748 -15.429 1.148 226 1HG2 VAL 34 3HG2 VAL 34 23.662 -13.404 2.726 227 2HG2 VAL 34 2HG2 VAL 34 22.404 -12.179 2.787 228 3HG2 VAL 34 1HG2 VAL 34 21.998 -13.865 3.050 No H/Q in entry = 228 Start of MODEL 2 1 1H ALA 1 1H ALA 1 7.315 9.372 0.527 2 2H ALA 1 3H ALA 1 5.958 9.395 1.555 3 3H ALA 1 2H ALA 1 7.415 10.118 2.051 4 HA ALA 1 HA ALA 1 7.706 8.203 3.142 5 1HB ALA 1 1HB ALA 1 6.044 6.846 0.966 6 2HB ALA 1 3HB ALA 1 6.640 6.052 2.415 7 3HB ALA 1 2HB ALA 1 5.448 7.334 2.544 8 H CYS 2 H CYS 2 9.335 6.715 3.014 9 HA CYS 2 HA CYS 2 11.434 7.103 1.179 10 1HB CYS 2 2HB CYS 2 12.349 4.997 2.244 11 2HB CYS 2 1HB CYS 2 11.886 6.197 3.401 12 H SER 3 H SER 3 12.530 5.085 0.188 13 HA SER 3 HA SER 3 10.672 3.947 -1.859 14 1HB SER 3 2HB SER 3 13.626 4.647 -1.869 15 2HB SER 3 1HB SER 3 12.989 3.507 -3.054 16 HG SER 3 HG SER 3 12.842 5.594 -3.770 17 H GLY 4 H GLY 4 10.773 1.754 -2.369 18 1HA GLY 4 2HA GLY 4 11.824 -0.005 -0.193 19 2HA GLY 4 1HA GLY 4 10.552 -0.424 -1.337 20 H ARG 5 H ARG 5 12.454 -2.263 -1.121 21 HA ARG 5 HA ARG 5 14.742 -1.898 -2.825 22 1HB ARG 5 2HB ARG 5 14.574 -3.687 -1.088 23 2HB ARG 5 1HB ARG 5 13.309 -4.470 -2.012 24 1HG ARG 5 2HG ARG 5 14.769 -5.162 -3.718 25 2HG ARG 5 1HG ARG 5 15.919 -3.883 -3.419 26 1HD ARG 5 2HD ARG 5 16.861 -6.030 -2.643 27 2HD ARG 5 1HD ARG 5 16.558 -4.999 -1.247 28 HE ARG 5 HE ARG 5 14.813 -6.444 -0.584 29 1HH1 ARG 5 2HH1 ARG 5 13.475 -6.664 -3.254 30 2HH1 ARG 5 1HH1 ARG 5 13.684 -8.340 -3.633 31 1HH2 ARG 5 1HH2 ARG 5 16.194 -8.773 -1.238 32 2HH2 ARG 5 2HH2 ARG 5 15.268 -9.572 -2.466 33 H GLY 6 H GLY 6 14.069 -1.001 -4.698 34 1HA GLY 6 2HA GLY 6 13.709 -2.305 -7.012 35 2HA GLY 6 1HA GLY 6 12.057 -2.291 -6.430 36 H SER 7 H SER 7 13.088 0.363 -5.067 37 HA SER 7 HA SER 7 12.570 2.151 -7.411 38 1HB SER 7 2HB SER 7 11.660 2.375 -4.490 39 2HB SER 7 1HB SER 7 11.524 3.706 -5.656 40 HG SER 7 HG SER 7 10.523 1.074 -5.990 41 H ARG 8 H ARG 8 13.832 3.971 -7.549 42 HA ARG 8 HA ARG 8 16.435 3.848 -6.202 43 1HB ARG 8 2HB ARG 8 16.974 5.782 -7.737 44 2HB ARG 8 1HB ARG 8 16.419 4.354 -8.563 45 1HG ARG 8 2HG ARG 8 14.233 6.195 -7.803 46 2HG ARG 8 1HG ARG 8 15.408 6.895 -8.886 47 1HD ARG 8 2HD ARG 8 14.930 5.390 -10.630 48 2HD ARG 8 1HD ARG 8 14.424 4.113 -9.528 49 HE ARG 8 HE ARG 8 12.283 5.138 -9.325 50 1HH1 ARG 8 2HH1 ARG 8 12.847 7.975 -9.354 51 2HH1 ARG 8 1HH1 ARG 8 12.383 8.491 -10.943 52 1HH2 ARG 8 1HH2 ARG 8 12.391 5.229 -12.223 53 2HH2 ARG 8 2HH2 ARG 8 12.112 6.894 -12.609 54 H CYS 9 H CYS 9 17.265 6.273 -5.910 55 HA CYS 9 HA CYS 9 15.529 7.458 -3.850 56 1HB CYS 9 2HB CYS 9 17.625 8.249 -2.781 57 2HB CYS 9 1HB CYS 9 17.476 6.515 -2.863 58 HA HYP 10 HA HYP 10 15.061 9.101 -2.884 59 1HB HYP 10 1HB HYP 10 14.638 11.123 -2.112 60 2HB HYP 10 2HB HYP 10 13.232 11.208 -3.145 61 1HD HYP 10 1HD1 HYP 10 16.869 11.592 -5.171 62 2HD HYP 10 2HD1 HYP 10 15.385 11.393 -6.114 63 HOD HYP 10 HD2 HYP 10 16.553 13.282 -3.796 64 HG HYP 10 HG HYP 10 14.413 12.843 -4.507 65 HA HYP 11 HA HYP 11 12.537 9.819 -1.734 66 1HB HYP 11 1HB HYP 11 10.618 8.994 -0.968 67 2HB HYP 11 2HB HYP 11 11.314 7.384 -0.882 68 1HD HYP 11 1HD1 HYP 11 10.597 9.013 -4.550 69 2HD HYP 11 2HD1 HYP 11 11.254 7.376 -4.701 70 HOD HYP 11 HD2 HYP 11 8.844 8.396 -1.796 71 HG HYP 11 HG HYP 11 10.106 6.708 -2.754 72 H GLN 12 H GLN 12 13.928 9.441 -0.089 73 HA GLN 12 HA GLN 12 16.242 7.925 -0.485 74 1HB GLN 12 2HB GLN 12 16.588 8.161 2.012 75 2HB GLN 12 1HB GLN 12 16.160 9.670 1.232 76 1HG GLN 12 2HG GLN 12 13.639 8.837 1.918 77 2HG GLN 12 1HG GLN 12 14.550 7.977 3.146 78 1HE2 GLN 12 2HE2 GLN 12 15.239 10.873 5.018 79 2HE2 GLN 12 1HE2 GLN 12 15.426 9.191 4.872 80 H CYS 13 H CYS 13 16.743 5.761 -0.149 81 HA CYS 13 HA CYS 13 14.630 3.878 -0.003 82 1HB CYS 13 2HB CYS 13 17.307 3.055 1.010 83 2HB CYS 13 1HB CYS 13 16.202 2.263 -0.065 84 H CYS 14 H CYS 14 13.673 2.868 1.537 85 HA CYS 14 HA CYS 14 13.357 3.868 4.124 86 1HB CYS 14 2HB CYS 14 12.806 1.053 3.138 87 2HB CYS 14 1HB CYS 14 12.110 1.781 4.560 88 H MET 15 H MET 15 13.560 2.470 6.124 89 HA MET 15 HA MET 15 16.236 2.234 6.881 90 1HB MET 15 2HB MET 15 14.271 2.450 8.428 91 2HB MET 15 1HB MET 15 13.844 0.784 8.097 92 1HG MET 15 2HG MET 15 15.918 -0.008 9.072 93 2HG MET 15 1HG MET 15 16.549 1.611 9.196 94 1HE MET 15 1HE MET 15 15.074 3.483 10.634 95 2HE MET 15 3HE MET 15 15.199 3.060 12.330 96 3HE MET 15 2HE MET 15 16.618 2.904 11.307 97 H GLY 16 H GLY 16 17.733 0.746 6.701 98 1HA GLY 16 2HA GLY 16 18.647 -1.444 6.652 99 2HA GLY 16 1HA GLY 16 17.092 -2.057 6.110 100 H LEU 17 H LEU 17 16.933 0.169 4.091 101 HA LEU 17 HA LEU 17 18.454 -1.188 2.016 102 1HB LEU 17 2HB LEU 17 16.480 1.111 1.833 103 2HB LEU 17 1HB LEU 17 17.201 0.342 0.451 104 HG LEU 17 HG LEU 17 15.162 -0.785 2.378 105 1HD1 LEU 17 1HD1 LEU 17 14.335 0.656 0.603 106 2HD1 LEU 17 3HD1 LEU 17 15.091 -0.367 -0.610 107 3HD1 LEU 17 2HD1 LEU 17 13.793 -0.998 0.393 108 1HD2 LEU 17 2HD2 LEU 17 16.853 -2.613 1.777 109 2HD2 LEU 17 1HD2 LEU 17 15.229 -2.920 1.203 110 3HD2 LEU 17 3HD2 LEU 17 16.442 -2.333 0.088 111 H ARG 18 H ARG 18 19.409 0.021 0.343 112 HA ARG 18 HA ARG 18 20.672 2.623 0.895 113 1HB ARG 18 2HB ARG 18 22.803 1.454 -0.118 114 2HB ARG 18 1HB ARG 18 22.498 1.360 1.601 115 1HG ARG 18 2HG ARG 18 21.701 -0.888 1.409 116 2HG ARG 18 1HG ARG 18 21.443 -0.747 -0.309 117 1HD ARG 18 2HD ARG 18 24.037 -0.402 -0.483 118 2HD ARG 18 1HD ARG 18 24.079 -1.126 1.123 119 HE ARG 18 HE ARG 18 22.434 -2.750 -0.524 120 1HH1 ARG 18 2HH1 ARG 18 25.296 -1.541 -1.639 121 2HH1 ARG 18 1HH1 ARG 18 26.143 -3.051 -1.704 122 1HH2 ARG 18 1HH2 ARG 18 23.621 -4.740 0.037 123 2HH2 ARG 18 2HH2 ARG 18 25.172 -4.932 -0.719 124 H CYS 19 H CYS 19 21.197 3.615 -0.991 125 HA CYS 19 HA CYS 19 19.669 2.784 -3.354 126 1HB CYS 19 2HB CYS 19 20.154 5.178 -2.338 127 2HB CYS 19 1HB CYS 19 21.546 5.124 -3.379 128 H GLY 20 H GLY 20 20.465 1.294 -4.712 129 1HA GLY 20 2HA GLY 20 23.393 1.093 -5.196 130 2HA GLY 20 1HA GLY 20 22.214 -0.126 -5.559 131 H ARG 21 H ARG 21 24.153 0.775 -7.291 132 HA ARG 21 HA ARG 21 24.454 1.070 -9.540 133 1HB ARG 21 2HB ARG 21 22.109 -0.148 -9.417 134 2HB ARG 21 1HB ARG 21 21.477 1.406 -9.857 135 1HG ARG 21 2HG ARG 21 23.733 0.686 -11.606 136 2HG ARG 21 1HG ARG 21 22.608 -0.646 -11.541 137 1HD ARG 21 2HD ARG 21 21.358 2.055 -11.946 138 2HD ARG 21 1HD ARG 21 22.354 1.467 -13.265 139 HE ARG 21 HE ARG 21 19.772 0.409 -12.444 140 1HH1 ARG 21 2HH1 ARG 21 20.261 -2.101 -12.418 141 2HH1 ARG 21 1HH1 ARG 21 20.759 -2.655 -13.982 142 1HH2 ARG 21 1HH2 ARG 21 21.515 0.568 -15.108 143 2HH2 ARG 21 2HH2 ARG 21 21.491 -1.110 -15.542 144 H GLY 22 H GLY 22 23.168 2.667 -11.391 145 1HA GLY 22 2HA GLY 22 23.371 5.436 -10.282 146 2HA GLY 22 1HA GLY 22 24.279 4.970 -11.711 147 H ASN 23 H ASN 23 22.521 3.531 -13.145 148 HA ASN 23 HA ASN 23 19.961 4.889 -13.345 149 1HB ASN 23 2HB ASN 23 22.031 6.193 -14.623 150 2HB ASN 23 1HB ASN 23 21.418 5.191 -15.926 151 1HD2 ASN 23 2HD2 ASN 23 18.106 6.728 -15.750 152 2HD2 ASN 23 1HD2 ASN 23 18.786 5.173 -15.842 153 HA PRO 24 HA PRO 24 18.080 4.453 -13.740 154 1HB PRO 24 2HB PRO 24 16.121 2.490 -13.577 155 2HB PRO 24 1HB PRO 24 16.241 3.738 -14.803 156 1HG PRO 24 2HG PRO 24 16.792 0.852 -15.086 157 2HG PRO 24 1HG PRO 24 16.573 2.057 -16.347 158 1HD PRO 24 2HD PRO 24 19.066 0.909 -15.462 159 2HD PRO 24 1HD PRO 24 18.851 2.190 -16.664 160 H GLN 25 H GLN 25 18.903 4.620 -11.718 161 HA GLN 25 HA GLN 25 19.948 2.666 -10.105 162 1HB GLN 25 2HB GLN 25 19.102 5.456 -9.853 163 2HB GLN 25 1HB GLN 25 18.746 4.603 -8.367 164 1HG GLN 25 2HG GLN 25 21.245 3.653 -8.938 165 2HG GLN 25 1HG GLN 25 21.393 5.267 -9.549 166 1HE2 GLN 25 2HE2 GLN 25 21.887 4.880 -5.704 167 2HE2 GLN 25 1HE2 GLN 25 22.239 3.732 -6.903 168 H LYS 26 H LYS 26 19.322 1.808 -8.108 169 HA LYS 26 HA LYS 26 16.503 1.496 -7.460 170 1HB LYS 26 2HB LYS 26 17.327 -0.213 -9.440 171 2HB LYS 26 1HB LYS 26 17.769 -1.172 -8.038 172 1HG LYS 26 2HG LYS 26 15.474 -0.912 -7.162 173 2HG LYS 26 1HG LYS 26 15.047 0.031 -8.578 174 1HD LYS 26 2HD LYS 26 14.324 -2.161 -9.162 175 2HD LYS 26 1HD LYS 26 15.863 -2.019 -9.979 176 1HE LYS 26 2HE LYS 26 16.960 -3.465 -8.472 177 2HE LYS 26 1HE LYS 26 15.835 -3.140 -7.164 178 1HZ LYS 26 3HZ LYS 26 15.009 -4.531 -9.629 179 2HZ LYS 26 2HZ LYS 26 15.658 -5.353 -8.292 180 3HZ LYS 26 1HZ LYS 26 14.215 -4.475 -8.128 181 H CYS 27 H CYS 27 16.314 1.270 -5.287 182 HA CYS 27 HA CYS 27 18.641 0.896 -3.682 183 1HB CYS 27 2HB CYS 27 15.734 0.729 -2.720 184 2HB CYS 27 1HB CYS 27 17.162 0.983 -1.793 185 H ILE 28 H ILE 28 19.128 -0.743 -2.330 186 HA ILE 28 HA ILE 28 17.782 -3.381 -2.530 187 HB ILE 28 HB ILE 28 20.104 -4.402 -2.621 188 1HG1 ILE 28 2HG1 ILE 28 21.048 -1.991 -1.827 189 2HG1 ILE 28 1HG1 ILE 28 22.027 -3.120 -2.695 190 1HG2 ILE 28 3HG2 ILE 28 19.311 -2.683 -5.004 191 2HG2 ILE 28 2HG2 ILE 28 20.467 -4.006 -5.053 192 3HG2 ILE 28 1HG2 ILE 28 18.787 -4.322 -4.663 193 1HD1 ILE 28 3HD1 ILE 28 20.462 -0.924 -4.011 194 2HD1 ILE 28 2HD1 ILE 28 22.127 -0.794 -3.468 195 3HD1 ILE 28 1HD1 ILE 28 21.700 -1.956 -4.723 196 H GLY 29 H GLY 29 19.425 -4.695 -0.784 197 1HA GLY 29 2HA GLY 29 19.052 -3.103 1.674 198 2HA GLY 29 1HA GLY 29 19.077 -4.829 1.629 199 H ALA 30 H ALA 30 20.610 -2.632 3.017 200 HA ALA 30 HA ALA 30 23.404 -2.961 2.215 201 1HB ALA 30 3HB ALA 30 22.009 -1.623 4.572 202 2HB ALA 30 2HB ALA 30 23.760 -1.692 4.452 203 3HB ALA 30 1HB ALA 30 22.832 -0.829 3.241 204 H HIS 31 H HIS 31 21.246 -3.979 4.729 205 HA HIS 31 HA HIS 31 23.207 -5.837 5.921 206 1HB HIS 31 2HB HIS 31 20.999 -4.330 6.917 207 2HB HIS 31 1HB HIS 31 20.444 -5.989 6.996 208 HD1 HIS 31 HD1 HIS 31 23.243 -3.866 8.245 209 HD2 HIS 31 HD2 HIS 31 21.635 -7.540 8.990 210 HE1 HIS 31 HE1 HIS 31 24.345 -4.704 10.286 211 1HN CGU 32 HN CGU 32 22.344 -6.208 3.277 212 HA CGU 32 HA CGU 32 21.255 -8.976 3.395 213 1HB CGU 32 1HB CGU 32 20.550 -6.828 1.321 214 2HB CGU 32 2HB CGU 32 19.485 -7.381 2.587 215 HG CGU 32 HG CGU 32 20.263 -9.780 1.442 216 H ASP 33 H ASP 33 23.281 -9.682 3.326 217 HA ASP 33 HA ASP 33 24.999 -9.064 0.970 218 1HB ASP 33 2HB ASP 33 25.620 -10.298 3.696 219 2HB ASP 33 1HB ASP 33 26.803 -10.007 2.438 220 H VAL 34 H VAL 34 22.816 -10.543 0.444 221 HA VAL 34 HA VAL 34 23.653 -13.396 0.420 222 HB VAL 34 HB VAL 34 20.940 -12.196 -0.316 223 1HG1 VAL 34 1HG1 VAL 34 21.814 -15.037 0.374 224 2HG1 VAL 34 3HG1 VAL 34 20.156 -14.540 0.084 225 3HG1 VAL 34 2HG1 VAL 34 21.329 -14.470 -1.215 226 1HG2 VAL 34 2HG2 VAL 34 21.905 -13.329 2.350 227 2HG2 VAL 34 1HG2 VAL 34 21.415 -11.669 2.048 228 3HG2 VAL 34 3HG2 VAL 34 20.228 -12.957 1.977 No H/Q in entry = 228 Start of MODEL 3 1 1H ALA 1 1H ALA 1 8.909 9.553 3.212 2 2H ALA 1 3H ALA 1 7.430 9.367 4.025 3 3H ALA 1 2H ALA 1 8.611 8.149 4.120 4 HA ALA 1 HA ALA 1 6.966 7.400 2.616 5 1HB ALA 1 1HB ALA 1 6.038 9.696 2.143 6 2HB ALA 1 3HB ALA 1 7.438 10.039 1.136 7 3HB ALA 1 2HB ALA 1 6.297 8.784 0.665 8 H CYS 2 H CYS 2 9.438 6.784 3.078 9 HA CYS 2 HA CYS 2 11.486 7.019 1.193 10 1HB CYS 2 2HB CYS 2 12.337 4.927 2.213 11 2HB CYS 2 1HB CYS 2 11.839 6.061 3.424 12 H SER 3 H SER 3 12.448 4.964 0.171 13 HA SER 3 HA SER 3 10.489 3.867 -1.817 14 1HB SER 3 2HB SER 3 13.343 4.799 -2.033 15 2HB SER 3 1HB SER 3 12.923 3.375 -2.978 16 HG SER 3 HG SER 3 11.483 4.457 -4.065 17 H GLY 4 H GLY 4 10.482 1.665 -2.193 18 1HA GLY 4 2HA GLY 4 11.709 -0.007 -0.060 19 2HA GLY 4 1HA GLY 4 10.420 -0.505 -1.152 20 H ARG 5 H ARG 5 12.352 -2.278 -0.934 21 HA ARG 5 HA ARG 5 14.601 -1.899 -2.686 22 1HB ARG 5 2HB ARG 5 14.190 -3.703 -0.812 23 2HB ARG 5 1HB ARG 5 13.387 -4.627 -2.058 24 1HG ARG 5 2HG ARG 5 16.123 -3.436 -2.612 25 2HG ARG 5 1HG ARG 5 16.023 -4.865 -1.624 26 1HD ARG 5 2HD ARG 5 14.933 -4.622 -4.468 27 2HD ARG 5 1HD ARG 5 16.388 -5.485 -3.988 28 HE ARG 5 HE ARG 5 14.477 -6.668 -2.420 29 1HH1 ARG 5 1HH2 ARG 5 12.631 -5.693 -4.642 30 2HH1 ARG 5 2HH2 ARG 5 12.547 -7.094 -5.656 31 1HH2 ARG 5 2HH1 ARG 5 15.358 -8.568 -4.164 32 2HH2 ARG 5 1HH1 ARG 5 14.141 -8.757 -5.383 33 H GLY 6 H GLY 6 13.997 -1.164 -4.573 34 1HA GLY 6 2HA GLY 6 13.602 -2.508 -6.854 35 2HA GLY 6 1HA GLY 6 11.940 -2.472 -6.262 36 H SER 7 H SER 7 13.087 0.231 -5.018 37 HA SER 7 HA SER 7 12.639 1.941 -7.429 38 1HB SER 7 2HB SER 7 11.555 2.274 -4.579 39 2HB SER 7 1HB SER 7 11.475 3.544 -5.815 40 HG SER 7 HG SER 7 10.508 1.903 -7.183 41 H ARG 8 H ARG 8 14.060 3.611 -7.630 42 HA ARG 8 HA ARG 8 16.504 3.526 -6.064 43 1HB ARG 8 2HB ARG 8 17.158 5.462 -7.567 44 2HB ARG 8 1HB ARG 8 16.639 4.048 -8.432 45 1HG ARG 8 2HG ARG 8 14.409 5.917 -7.753 46 2HG ARG 8 1HG ARG 8 15.627 6.617 -8.787 47 1HD ARG 8 2HD ARG 8 14.905 3.901 -9.685 48 2HD ARG 8 1HD ARG 8 13.507 4.957 -9.606 49 HE ARG 8 HE ARG 8 15.945 5.442 -11.253 50 1HH1 ARG 8 1HH2 ARG 8 14.033 7.649 -9.977 51 2HH1 ARG 8 2HH2 ARG 8 13.158 8.096 -11.402 52 1HH2 ARG 8 2HH1 ARG 8 14.293 5.326 -13.219 53 2HH2 ARG 8 1HH1 ARG 8 13.304 6.748 -13.282 54 H CYS 9 H CYS 9 17.298 6.066 -5.765 55 HA CYS 9 HA CYS 9 15.361 7.243 -3.889 56 1HB CYS 9 2HB CYS 9 16.972 7.556 -2.270 57 2HB CYS 9 1HB CYS 9 17.417 6.024 -2.939 58 HA HYP 10 HA HYP 10 15.188 8.851 -2.707 59 1HB HYP 10 1HB HYP 10 14.996 10.862 -1.746 60 2HB HYP 10 2HB HYP 10 13.669 11.254 -2.815 61 1HD HYP 10 1HD1 HYP 10 17.345 11.260 -4.783 62 2HD HYP 10 2HD1 HYP 10 15.825 11.380 -5.684 63 HOD HYP 10 HD2 HYP 10 17.164 11.305 -2.511 64 HG HYP 10 HG HYP 10 15.190 12.826 -3.877 65 HA HYP 11 HA HYP 11 12.572 9.960 -1.574 66 1HB HYP 11 1HB HYP 11 10.554 9.206 -0.955 67 2HB HYP 11 2HB HYP 11 11.216 7.591 -0.757 68 1HD HYP 11 1HD1 HYP 11 10.699 9.298 -4.396 69 2HD HYP 11 2HD1 HYP 11 11.321 7.661 -4.673 70 HOD HYP 11 HD2 HYP 11 8.825 8.430 -1.792 71 HG HYP 11 HG HYP 11 10.249 6.844 -2.732 72 H GLN 12 H GLN 12 14.059 9.583 -0.038 73 HA GLN 12 HA GLN 12 16.255 7.946 -0.350 74 1HB GLN 12 2HB GLN 12 14.910 8.882 2.218 75 2HB GLN 12 1HB GLN 12 16.489 8.123 2.207 76 1HG GLN 12 2HG GLN 12 15.816 10.604 0.547 77 2HG GLN 12 1HG GLN 12 16.575 10.663 2.134 78 1HE2 GLN 12 2HE2 GLN 12 18.958 10.078 -0.990 79 2HE2 GLN 12 1HE2 GLN 12 17.424 10.761 -1.133 80 H CYS 13 H CYS 13 16.666 5.811 -0.188 81 HA CYS 13 HA CYS 13 14.579 3.922 -0.029 82 1HB CYS 13 2HB CYS 13 17.295 3.093 0.905 83 2HB CYS 13 1HB CYS 13 16.166 2.308 -0.147 84 H CYS 14 H CYS 14 13.672 2.831 1.491 85 HA CYS 14 HA CYS 14 13.392 3.784 4.108 86 1HB CYS 14 2HB CYS 14 12.875 0.963 3.142 87 2HB CYS 14 1HB CYS 14 12.142 1.728 4.524 88 H MET 15 H MET 15 13.763 2.547 6.118 89 HA MET 15 HA MET 15 16.474 2.244 6.691 90 1HB MET 15 2HB MET 15 14.550 2.550 8.343 91 2HB MET 15 1HB MET 15 14.200 0.842 8.165 92 1HG MET 15 2HG MET 15 16.258 0.196 9.148 93 2HG MET 15 1HG MET 15 16.984 1.756 8.886 94 1HE MET 15 1HE MET 15 13.916 0.159 10.669 95 2HE MET 15 3HE MET 15 15.372 -0.602 11.357 96 3HE MET 15 2HE MET 15 14.351 0.435 12.343 97 H GLY 16 H GLY 16 17.908 0.721 6.448 98 1HA GLY 16 2HA GLY 16 18.697 -1.550 6.498 99 2HA GLY 16 1HA GLY 16 17.121 -2.072 5.913 100 H LEU 17 H LEU 17 16.982 0.080 3.922 101 HA LEU 17 HA LEU 17 18.509 -1.241 1.842 102 1HB LEU 17 2HB LEU 17 16.636 1.140 1.698 103 2HB LEU 17 1HB LEU 17 17.310 0.354 0.298 104 HG LEU 17 HG LEU 17 15.239 -0.680 2.258 105 1HD1 LEU 17 3HD1 LEU 17 14.582 0.802 0.344 106 2HD1 LEU 17 2HD1 LEU 17 15.104 -0.469 -0.752 107 3HD1 LEU 17 1HD1 LEU 17 13.789 -0.761 0.382 108 1HD2 LEU 17 1HD2 LEU 17 16.858 -2.583 1.684 109 2HD2 LEU 17 3HD2 LEU 17 15.217 -2.844 1.141 110 3HD2 LEU 17 2HD2 LEU 17 16.441 -2.339 -0.005 111 H ARG 18 H ARG 18 19.538 -0.007 0.190 112 HA ARG 18 HA ARG 18 20.960 2.463 0.981 113 1HB ARG 18 2HB ARG 18 22.910 1.076 -0.410 114 2HB ARG 18 1HB ARG 18 22.814 1.211 1.327 115 1HG ARG 18 2HG ARG 18 21.922 -0.889 1.588 116 2HG ARG 18 1HG ARG 18 21.363 -1.039 -0.051 117 1HD ARG 18 2HD ARG 18 23.988 -0.805 -0.639 118 2HD ARG 18 1HD ARG 18 24.173 -1.385 1.013 119 HE ARG 18 HE ARG 18 22.309 -3.041 -0.426 120 1HH1 ARG 18 2HH1 ARG 18 25.054 -3.337 1.242 121 2HH1 ARG 18 1HH1 ARG 18 25.880 -4.405 0.157 122 1HH2 ARG 18 1HH2 ARG 18 23.590 -3.917 -2.432 123 2HH2 ARG 18 2HH2 ARG 18 25.042 -4.733 -1.957 124 H CYS 19 H CYS 19 21.256 3.744 -0.672 125 HA CYS 19 HA CYS 19 19.675 3.399 -3.078 126 1HB CYS 19 2HB CYS 19 20.099 5.550 -1.851 127 2HB CYS 19 1HB CYS 19 21.715 5.559 -2.491 128 H GLY 20 H GLY 20 20.397 1.815 -4.443 129 1HA GLY 20 2HA GLY 20 23.215 1.624 -5.241 130 2HA GLY 20 1HA GLY 20 21.882 0.640 -5.844 131 H ARG 21 H ARG 21 23.464 3.735 -6.114 132 HA ARG 21 HA ARG 21 21.936 4.911 -8.157 133 1HB ARG 21 2HB ARG 21 24.844 5.169 -7.344 134 2HB ARG 21 1HB ARG 21 24.161 6.159 -8.611 135 1HG ARG 21 2HG ARG 21 22.328 6.277 -6.373 136 2HG ARG 21 1HG ARG 21 23.943 6.478 -5.726 137 1HD ARG 21 2HD ARG 21 22.959 8.665 -6.350 138 2HD ARG 21 1HD ARG 21 24.367 8.326 -7.355 139 HE ARG 21 HE ARG 21 22.067 7.318 -8.697 140 1HH1 ARG 21 2HH1 ARG 21 21.565 10.129 -7.298 141 2HH1 ARG 21 1HH1 ARG 21 21.705 11.152 -8.689 142 1HH2 ARG 21 1HH2 ARG 21 23.102 8.616 -10.661 143 2HH2 ARG 21 2HH2 ARG 21 22.599 10.274 -10.639 144 H GLY 22 H GLY 22 24.232 2.362 -8.300 145 1HA GLY 22 2HA GLY 22 25.079 2.518 -11.017 146 2HA GLY 22 1HA GLY 22 25.018 1.035 -10.058 147 H ASN 23 H ASN 23 24.295 1.331 -12.854 148 HA ASN 23 HA ASN 23 21.398 1.314 -13.009 149 1HB ASN 23 2HB ASN 23 23.350 1.817 -14.857 150 2HB ASN 23 1HB ASN 23 22.948 0.165 -15.294 151 1HD2 ASN 23 2HD2 ASN 23 19.750 0.988 -16.556 152 2HD2 ASN 23 1HD2 ASN 23 20.813 -0.262 -16.125 153 HA PRO 24 HA PRO 24 19.580 0.339 -13.777 154 1HB PRO 24 2HB PRO 24 17.607 -1.013 -12.361 155 2HB PRO 24 1HB PRO 24 17.988 -1.232 -14.062 156 1HG PRO 24 2HG PRO 24 18.592 -3.035 -11.794 157 2HG PRO 24 1HG PRO 24 18.578 -3.399 -13.515 158 1HD PRO 24 2HD PRO 24 20.896 -2.993 -11.866 159 2HD PRO 24 1HD PRO 24 20.876 -3.189 -13.625 160 H GLN 25 H GLN 25 19.179 2.155 -12.694 161 HA GLN 25 HA GLN 25 20.124 2.692 -10.067 162 1HB GLN 25 2HB GLN 25 17.964 4.158 -11.648 163 2HB GLN 25 1HB GLN 25 18.818 4.811 -10.260 164 1HG GLN 25 2HG GLN 25 20.865 4.999 -11.433 165 2HG GLN 25 1HG GLN 25 20.394 3.852 -12.678 166 1HE2 GLN 25 2HE2 GLN 25 18.970 7.704 -12.861 167 2HE2 GLN 25 1HE2 GLN 25 19.484 7.074 -11.372 168 H LYS 26 H LYS 26 19.388 1.535 -8.433 169 HA LYS 26 HA LYS 26 16.648 1.845 -7.529 170 1HB LYS 26 2HB LYS 26 17.492 -0.589 -8.984 171 2HB LYS 26 1HB LYS 26 16.850 -0.972 -7.408 172 1HG LYS 26 2HG LYS 26 14.820 -0.746 -8.162 173 2HG LYS 26 1HG LYS 26 15.042 0.961 -8.459 174 1HD LYS 26 2HD LYS 26 16.161 0.125 -10.727 175 2HD LYS 26 1HD LYS 26 15.337 -1.378 -10.369 176 1HE LYS 26 2HE LYS 26 13.974 0.108 -11.848 177 2HE LYS 26 1HE LYS 26 13.153 -0.201 -10.327 178 1HZ LYS 26 3HZ LYS 26 14.915 2.089 -10.396 179 2HZ LYS 26 2HZ LYS 26 13.494 2.219 -11.326 180 3HZ LYS 26 1HZ LYS 26 13.398 1.906 -9.657 181 H CYS 27 H CYS 27 16.240 1.103 -5.372 182 HA CYS 27 HA CYS 27 18.641 1.127 -3.756 183 1HB CYS 27 2HB CYS 27 15.759 0.713 -2.797 184 2HB CYS 27 1HB CYS 27 17.162 1.063 -1.867 185 H ILE 28 H ILE 28 19.344 -0.531 -2.537 186 HA ILE 28 HA ILE 28 18.204 -3.274 -2.915 187 HB ILE 28 HB ILE 28 20.640 -4.041 -2.812 188 1HG1 ILE 28 2HG1 ILE 28 21.211 -1.558 -1.930 189 2HG1 ILE 28 1HG1 ILE 28 22.387 -2.554 -2.718 190 1HG2 ILE 28 1HG2 ILE 28 19.697 -2.410 -5.196 191 2HG2 ILE 28 3HG2 ILE 28 21.136 -3.416 -5.221 192 3HG2 ILE 28 2HG2 ILE 28 19.563 -4.141 -4.944 193 1HD1 ILE 28 1HD1 ILE 28 20.677 -0.587 -4.233 194 2HD1 ILE 28 3HD1 ILE 28 22.194 -0.147 -3.464 195 3HD1 ILE 28 2HD1 ILE 28 22.178 -1.354 -4.745 196 H GLY 29 H GLY 29 19.863 -4.521 -1.081 197 1HA GLY 29 2HA GLY 29 19.225 -3.056 1.414 198 2HA GLY 29 1HA GLY 29 19.139 -4.777 1.284 199 H ALA 30 H ALA 30 20.723 -2.618 2.827 200 HA ALA 30 HA ALA 30 23.531 -3.241 2.303 201 1HB ALA 30 1HB ALA 30 22.030 -1.570 4.337 202 2HB ALA 30 3HB ALA 30 23.704 -1.998 4.655 203 3HB ALA 30 2HB ALA 30 23.297 -1.067 3.229 204 H HIS 31 H HIS 31 21.083 -3.815 4.693 205 HA HIS 31 HA HIS 31 22.595 -5.958 6.080 206 1HB HIS 31 2HB HIS 31 20.006 -4.422 6.600 207 2HB HIS 31 1HB HIS 31 20.400 -5.857 7.533 208 HD1 HIS 31 HD1 HIS 31 21.568 -5.198 9.620 209 HD2 HIS 31 HD2 HIS 31 22.517 -2.572 6.640 210 HE1 HIS 31 HE1 HIS 31 23.101 -3.542 10.615 211 1HN CGU 32 HN CGU 32 22.368 -6.756 3.704 212 HA CGU 32 HA CGU 32 20.111 -8.687 3.533 213 1HB CGU 32 1HB CGU 32 21.382 -7.232 1.206 214 2HB CGU 32 2HB CGU 32 20.037 -6.535 2.064 215 HG CGU 32 HG CGU 32 19.659 -9.362 1.213 216 H ASP 33 H ASP 33 21.630 -9.140 0.963 217 HA ASP 33 HA ASP 33 24.121 -10.457 1.742 218 1HB ASP 33 2HB ASP 33 22.016 -12.022 2.308 219 2HB ASP 33 1HB ASP 33 22.003 -12.315 0.584 220 H VAL 34 H VAL 34 23.892 -8.461 0.089 221 HA VAL 34 HA VAL 34 23.540 -9.280 -2.697 222 HB VAL 34 HB VAL 34 24.725 -6.733 -1.490 223 1HG1 VAL 34 3HG1 VAL 34 23.924 -7.467 -4.342 224 2HG1 VAL 34 2HG1 VAL 34 24.164 -5.807 -3.822 225 3HG1 VAL 34 1HG1 VAL 34 25.504 -6.936 -3.789 226 1HG2 VAL 34 3HG2 VAL 34 21.939 -7.432 -2.475 227 2HG2 VAL 34 2HG2 VAL 34 22.405 -6.919 -0.856 228 3HG2 VAL 34 1HG2 VAL 34 22.466 -5.784 -2.191 No H/Q in entry = 228 Start of MODEL 4 1 1H ALA 1 3H ALA 1 9.078 10.914 2.474 2 2H ALA 1 2H ALA 1 7.732 10.659 3.477 3 3H ALA 1 1H ALA 1 9.284 10.220 4.010 4 HA ALA 1 HA ALA 1 8.087 8.268 3.357 5 1HB ALA 1 1HB ALA 1 6.540 9.405 1.755 6 2HB ALA 1 3HB ALA 1 7.876 9.633 0.639 7 3HB ALA 1 2HB ALA 1 7.314 8.011 1.015 8 H CYS 2 H CYS 2 9.131 6.519 2.339 9 HA CYS 2 HA CYS 2 11.856 7.091 1.285 10 1HB CYS 2 2HB CYS 2 12.458 4.930 2.343 11 2HB CYS 2 1HB CYS 2 12.034 6.120 3.522 12 H SER 3 H SER 3 12.725 5.038 0.216 13 HA SER 3 HA SER 3 10.731 4.089 -1.813 14 1HB SER 3 2HB SER 3 12.637 5.385 -2.754 15 2HB SER 3 1HB SER 3 13.793 4.260 -2.018 16 HG SER 3 HG SER 3 12.894 2.617 -3.259 17 H GLY 4 H GLY 4 10.809 1.872 -2.440 18 1HA GLY 4 2HA GLY 4 11.666 0.052 -0.242 19 2HA GLY 4 1HA GLY 4 10.481 -0.314 -1.492 20 H ARG 5 H ARG 5 12.147 -2.220 -1.154 21 HA ARG 5 HA ARG 5 14.606 -2.013 -2.679 22 1HB ARG 5 2HB ARG 5 14.212 -3.611 -0.740 23 2HB ARG 5 1HB ARG 5 13.137 -4.530 -1.776 24 1HG ARG 5 2HG ARG 5 14.951 -5.041 -3.333 25 2HG ARG 5 1HG ARG 5 16.021 -3.902 -2.546 26 1HD ARG 5 2HD ARG 5 16.504 -6.280 -1.885 27 2HD ARG 5 1HD ARG 5 16.052 -5.287 -0.505 28 HE ARG 5 HE ARG 5 13.988 -6.457 -0.365 29 1HH1 ARG 5 1HH2 ARG 5 13.275 -6.494 -3.259 30 2HH1 ARG 5 2HH2 ARG 5 13.400 -8.176 -3.646 31 1HH2 ARG 5 2HH1 ARG 5 15.272 -8.927 -0.787 32 2HH2 ARG 5 1HH1 ARG 5 14.563 -9.586 -2.223 33 H GLY 6 H GLY 6 13.635 -1.124 -4.543 34 1HA GLY 6 2HA GLY 6 13.482 -2.721 -6.800 35 2HA GLY 6 1HA GLY 6 11.806 -2.567 -6.266 36 H SER 7 H SER 7 13.338 0.125 -5.217 37 HA SER 7 HA SER 7 13.148 1.701 -7.710 38 1HB SER 7 2HB SER 7 11.784 3.430 -6.138 39 2HB SER 7 1HB SER 7 10.916 2.138 -6.973 40 HG SER 7 HG SER 7 11.258 0.840 -5.104 41 H ARG 8 H ARG 8 14.456 3.434 -7.718 42 HA ARG 8 HA ARG 8 16.661 3.529 -5.886 43 1HB ARG 8 2HB ARG 8 17.515 5.230 -7.373 44 2HB ARG 8 1HB ARG 8 16.734 4.022 -8.350 45 1HG ARG 8 2HG ARG 8 15.342 6.615 -7.520 46 2HG ARG 8 1HG ARG 8 16.246 6.394 -8.992 47 1HD ARG 8 2HD ARG 8 14.128 5.915 -9.809 48 2HD ARG 8 1HD ARG 8 14.636 4.300 -9.361 49 HE ARG 8 HE ARG 8 13.034 4.324 -7.621 50 1HH1 ARG 8 1HH2 ARG 8 12.520 7.001 -9.517 51 2HH1 ARG 8 2HH2 ARG 8 11.712 7.932 -8.301 52 1HH2 ARG 8 2HH1 ARG 8 12.501 5.667 -5.747 53 2HH2 ARG 8 1HH1 ARG 8 11.714 7.163 -6.110 54 H CYS 9 H CYS 9 17.322 6.067 -5.617 55 HA CYS 9 HA CYS 9 15.297 7.232 -3.825 56 1HB CYS 9 2HB CYS 9 16.970 7.776 -2.258 57 2HB CYS 9 1HB CYS 9 17.318 6.143 -2.735 58 HA HYP 10 HA HYP 10 15.147 8.996 -2.685 59 1HB HYP 10 1HB HYP 10 14.977 11.129 -1.985 60 2HB HYP 10 2HB HYP 10 13.533 11.299 -2.957 61 1HD HYP 10 1HD1 HYP 10 17.119 11.262 -5.083 62 2HD HYP 10 2HD1 HYP 10 15.613 11.163 -6.005 63 HOD HYP 10 HD2 HYP 10 16.565 13.422 -3.552 64 HG HYP 10 HG HYP 10 14.771 12.728 -4.455 65 HA HYP 11 HA HYP 11 12.714 9.998 -1.570 66 1HB HYP 11 1HB HYP 11 10.621 9.461 -0.898 67 2HB HYP 11 2HB HYP 11 11.201 7.868 -0.461 68 1HD HYP 11 1HD1 HYP 11 10.769 8.723 -4.463 69 2HD HYP 11 2HD1 HYP 11 11.453 7.123 -4.141 70 HOD HYP 11 HD2 HYP 11 8.518 8.203 -2.975 71 HG HYP 11 HG HYP 11 10.067 6.917 -2.265 72 H GLN 12 H GLN 12 14.189 9.611 0.027 73 HA GLN 12 HA GLN 12 16.355 7.955 -0.195 74 1HB GLN 12 2HB GLN 12 16.623 8.128 2.295 75 2HB GLN 12 1HB GLN 12 16.230 9.658 1.547 76 1HG GLN 12 2HG GLN 12 14.504 9.864 2.997 77 2HG GLN 12 1HG GLN 12 13.687 8.549 2.178 78 1HE2 GLN 12 2HE2 GLN 12 15.204 7.979 5.877 79 2HE2 GLN 12 1HE2 GLN 12 15.284 9.484 5.098 80 H CYS 13 H CYS 13 16.738 5.768 -0.074 81 HA CYS 13 HA CYS 13 14.608 3.919 0.057 82 1HB CYS 13 2HB CYS 13 17.257 2.962 1.024 83 2HB CYS 13 1HB CYS 13 16.135 2.284 -0.105 84 H CYS 14 H CYS 14 13.660 2.825 1.569 85 HA CYS 14 HA CYS 14 13.395 3.770 4.197 86 1HB CYS 14 2HB CYS 14 12.757 1.001 3.147 87 2HB CYS 14 1HB CYS 14 12.063 1.734 4.564 88 H MET 15 H MET 15 13.628 2.360 6.161 89 HA MET 15 HA MET 15 16.310 2.023 6.829 90 1HB MET 15 2HB MET 15 14.330 2.225 8.409 91 2HB MET 15 1HB MET 15 13.964 0.540 8.101 92 1HG MET 15 2HG MET 15 15.271 0.812 10.167 93 2HG MET 15 1HG MET 15 16.134 -0.138 8.995 94 1HE MET 15 2HE MET 15 15.704 3.572 10.218 95 2HE MET 15 1HE MET 15 16.301 2.551 11.547 96 3HE MET 15 3HE MET 15 17.316 3.810 10.867 97 H GLY 16 H GLY 16 17.759 0.507 6.595 98 1HA GLY 16 2HA GLY 16 18.588 -1.731 6.491 99 2HA GLY 16 1HA GLY 16 17.030 -2.250 5.866 100 H LEU 17 H LEU 17 16.940 0.034 3.968 101 HA LEU 17 HA LEU 17 18.563 -1.209 1.885 102 1HB LEU 17 2HB LEU 17 16.298 0.791 1.828 103 2HB LEU 17 1HB LEU 17 17.300 0.556 0.420 104 HG LEU 17 HG LEU 17 16.634 -2.070 1.258 105 1HD1 LEU 17 1HD1 LEU 17 14.200 -0.253 1.118 106 2HD1 LEU 17 3HD1 LEU 17 14.163 -2.010 1.159 107 3HD1 LEU 17 2HD1 LEU 17 14.751 -1.115 2.553 108 1HD2 LEU 17 2HD2 LEU 17 16.860 -0.778 -1.101 109 2HD2 LEU 17 1HD2 LEU 17 16.049 -2.311 -0.925 110 3HD2 LEU 17 3HD2 LEU 17 15.119 -0.817 -0.979 111 H ARG 18 H ARG 18 19.465 0.091 0.276 112 HA ARG 18 HA ARG 18 20.736 2.660 0.993 113 1HB ARG 18 2HB ARG 18 22.832 1.544 -0.180 114 2HB ARG 18 1HB ARG 18 22.563 1.296 1.528 115 1HG ARG 18 2HG ARG 18 21.727 -0.908 1.141 116 2HG ARG 18 1HG ARG 18 21.399 -0.590 -0.541 117 1HD ARG 18 2HD ARG 18 23.825 -0.473 -1.042 118 2HD ARG 18 1HD ARG 18 24.196 -0.779 0.656 119 HE ARG 18 HE ARG 18 22.508 -2.863 -0.147 120 1HH1 ARG 18 2HH1 ARG 18 25.763 -1.945 -0.093 121 2HH1 ARG 18 1HH1 ARG 18 26.323 -3.286 -1.034 122 1HH2 ARG 18 1HH2 ARG 18 23.086 -4.409 -1.742 123 2HH2 ARG 18 2HH2 ARG 18 24.774 -4.713 -1.991 124 H CYS 19 H CYS 19 21.280 3.804 -0.804 125 HA CYS 19 HA CYS 19 19.606 3.364 -3.155 126 1HB CYS 19 2HB CYS 19 20.281 5.579 -1.999 127 2HB CYS 19 1HB CYS 19 21.754 5.480 -2.913 128 H GLY 20 H GLY 20 20.287 1.588 -4.333 129 1HA GLY 20 2HA GLY 20 23.036 1.084 -5.062 130 2HA GLY 20 1HA GLY 20 21.615 0.297 -5.747 131 H ARG 21 H ARG 21 23.797 2.941 -6.017 132 HA ARG 21 HA ARG 21 22.636 4.460 -8.070 133 1HB ARG 21 2HB ARG 21 25.097 5.114 -8.520 134 2HB ARG 21 1HB ARG 21 24.457 5.437 -6.926 135 1HG ARG 21 2HG ARG 21 25.658 3.677 -5.919 136 2HG ARG 21 1HG ARG 21 25.846 2.788 -7.417 137 1HD ARG 21 2HD ARG 21 27.144 5.512 -7.151 138 2HD ARG 21 1HD ARG 21 27.908 4.096 -6.433 139 HE ARG 21 HE ARG 21 27.088 3.847 -9.265 140 1HH1 ARG 21 1HH2 ARG 21 29.131 2.174 -7.784 141 2HH1 ARG 21 2HH2 ARG 21 30.618 2.781 -8.435 142 1HH2 ARG 21 2HH1 ARG 21 29.103 5.655 -9.743 143 2HH2 ARG 21 1HH1 ARG 21 30.601 4.802 -9.571 144 H GLY 22 H GLY 22 24.113 1.376 -8.260 145 1HA GLY 22 2HA GLY 22 25.096 1.348 -10.927 146 2HA GLY 22 1HA GLY 22 24.512 -0.071 -10.056 147 H ASN 23 H ASN 23 24.117 1.037 -12.883 148 HA ASN 23 HA ASN 23 21.280 1.591 -13.065 149 1HB ASN 23 2HB ASN 23 23.528 1.263 -15.034 150 2HB ASN 23 1HB ASN 23 21.871 1.253 -15.614 151 1HD2 ASN 23 2HD2 ASN 23 21.547 4.734 -15.340 152 2HD2 ASN 23 1HD2 ASN 23 20.969 3.276 -15.988 153 HA PRO 24 HA PRO 24 19.376 1.200 -14.147 154 1HB PRO 24 2HB PRO 24 17.104 -0.035 -13.114 155 2HB PRO 24 1HB PRO 24 17.532 0.077 -14.813 156 1HG PRO 24 2HG PRO 24 17.675 -2.286 -13.037 157 2HG PRO 24 1HG PRO 24 17.668 -2.226 -14.794 158 1HD PRO 24 2HD PRO 24 19.949 -2.690 -13.117 159 2HD PRO 24 1HD PRO 24 19.975 -2.412 -14.866 160 H GLN 25 H GLN 25 19.315 2.743 -12.681 161 HA GLN 25 HA GLN 25 20.214 2.538 -10.028 162 1HB GLN 25 2HB GLN 25 18.405 4.597 -11.350 163 2HB GLN 25 1HB GLN 25 19.093 4.814 -9.748 164 1HG GLN 25 2HG GLN 25 21.362 4.733 -10.623 165 2HG GLN 25 1HG GLN 25 20.799 4.267 -12.223 166 1HE2 GLN 25 2HE2 GLN 25 19.698 7.550 -13.092 167 2HE2 GLN 25 1HE2 GLN 25 19.465 5.901 -13.415 168 H LYS 26 H LYS 26 19.369 1.600 -8.379 169 HA LYS 26 HA LYS 26 16.579 1.875 -7.602 170 1HB LYS 26 2HB LYS 26 17.541 -0.547 -9.016 171 2HB LYS 26 1HB LYS 26 16.757 -0.923 -7.500 172 1HG LYS 26 2HG LYS 26 14.710 -0.242 -8.186 173 2HG LYS 26 1HG LYS 26 15.292 1.083 -9.152 174 1HD LYS 26 2HD LYS 26 14.407 -0.458 -10.721 175 2HD LYS 26 1HD LYS 26 16.143 -0.675 -10.829 176 1HE LYS 26 2HE LYS 26 15.827 -2.599 -9.097 177 2HE LYS 26 1HE LYS 26 14.108 -2.460 -9.445 178 1HZ LYS 26 2HZ LYS 26 16.199 -2.882 -11.495 179 2HZ LYS 26 1HZ LYS 26 15.261 -4.120 -10.806 180 3HZ LYS 26 3HZ LYS 26 14.517 -2.904 -11.733 181 H CYS 27 H CYS 27 16.175 1.199 -5.386 182 HA CYS 27 HA CYS 27 18.610 1.175 -3.813 183 1HB CYS 27 2HB CYS 27 15.735 0.883 -2.818 184 2HB CYS 27 1HB CYS 27 17.161 1.128 -1.898 185 H ILE 28 H ILE 28 19.224 -0.506 -2.480 186 HA ILE 28 HA ILE 28 17.910 -3.151 -2.824 187 HB ILE 28 HB ILE 28 20.143 -4.171 -3.052 188 1HG1 ILE 28 2HG1 ILE 28 21.276 -2.246 -1.728 189 2HG1 ILE 28 1HG1 ILE 28 22.127 -3.024 -2.998 190 1HG2 ILE 28 1HG2 ILE 28 19.604 -2.012 -5.135 191 2HG2 ILE 28 3HG2 ILE 28 20.769 -3.308 -5.334 192 3HG2 ILE 28 2HG2 ILE 28 19.064 -3.678 -5.156 193 1HD1 ILE 28 3HD1 ILE 28 20.663 -0.615 -3.876 194 2HD1 ILE 28 2HD1 ILE 28 21.986 -0.350 -2.758 195 3HD1 ILE 28 1HD1 ILE 28 22.272 -1.191 -4.272 196 H GLY 29 H GLY 29 19.347 -4.570 -1.123 197 1HA GLY 29 2HA GLY 29 18.986 -3.110 1.414 198 2HA GLY 29 1HA GLY 29 18.987 -4.823 1.276 199 H ALA 30 H ALA 30 20.561 -2.642 2.735 200 HA ALA 30 HA ALA 30 23.361 -3.049 1.955 201 1HB ALA 30 2HB ALA 30 21.862 -1.352 3.926 202 2HB ALA 30 1HB ALA 30 23.521 -1.749 4.334 203 3HB ALA 30 3HB ALA 30 23.167 -0.897 2.845 204 H HIS 31 H HIS 31 21.192 -3.765 4.564 205 HA HIS 31 HA HIS 31 22.964 -5.976 5.555 206 1HB HIS 31 2HB HIS 31 22.591 -3.973 7.123 207 2HB HIS 31 1HB HIS 31 20.888 -4.407 7.176 208 HD1 HIS 31 HD1 HIS 31 24.189 -6.080 7.860 209 HD2 HIS 31 HD2 HIS 31 20.304 -6.302 9.088 210 HE1 HIS 31 HE1 HIS 31 24.135 -7.735 9.687 211 1HN CGU 32 HN CGU 32 21.800 -6.929 3.649 212 HA CGU 32 HA CGU 32 19.157 -8.089 4.412 213 1HB CGU 32 1HB CGU 32 20.216 -7.996 1.568 214 2HB CGU 32 2HB CGU 32 19.657 -6.517 2.277 215 HG CGU 32 HG CGU 32 17.982 -7.827 0.922 216 H ASP 33 H ASP 33 20.024 -9.702 1.978 217 HA ASP 33 HA ASP 33 22.104 -11.499 2.892 218 1HB ASP 33 2HB ASP 33 19.806 -12.037 4.193 219 2HB ASP 33 1HB ASP 33 19.356 -12.805 2.687 220 H VAL 34 H VAL 34 21.528 -9.937 0.649 221 HA VAL 34 HA VAL 34 20.847 -11.819 -1.537 222 HB VAL 34 HB VAL 34 21.595 -8.857 -1.696 223 1HG1 VAL 34 2HG1 VAL 34 20.298 -10.771 -3.693 224 2HG1 VAL 34 1HG1 VAL 34 20.415 -9.035 -3.928 225 3HG1 VAL 34 3HG1 VAL 34 21.872 -10.008 -3.854 226 1HG2 VAL 34 2HG2 VAL 34 18.904 -10.251 -1.389 227 2HG2 VAL 34 1HG2 VAL 34 19.575 -8.958 -0.409 228 3HG2 VAL 34 3HG2 VAL 34 19.041 -8.627 -2.044 No H/Q in entry = 228 Start of MODEL 5 1 1H ALA 1 2H ALA 1 8.377 9.038 3.493 2 2H ALA 1 1H ALA 1 7.858 9.917 2.134 3 3H ALA 1 3H ALA 1 6.731 9.416 3.304 4 HA ALA 1 HA ALA 1 7.149 7.112 2.765 5 1HB ALA 1 2HB ALA 1 6.457 8.919 0.401 6 2HB ALA 1 1HB ALA 1 6.175 7.185 0.421 7 3HB ALA 1 3HB ALA 1 5.328 8.228 1.553 8 H CYS 2 H CYS 2 9.226 6.424 2.906 9 HA CYS 2 HA CYS 2 11.391 7.107 1.136 10 1HB CYS 2 2HB CYS 2 12.385 4.991 2.185 11 2HB CYS 2 1HB CYS 2 11.961 6.231 3.314 12 H SER 3 H SER 3 12.563 4.983 0.202 13 HA SER 3 HA SER 3 10.701 3.865 -1.855 14 1HB SER 3 2HB SER 3 13.652 4.558 -1.857 15 2HB SER 3 1HB SER 3 13.037 3.369 -3.006 16 HG SER 3 HG SER 3 12.883 5.403 -3.803 17 H GLY 4 H GLY 4 10.786 1.662 -2.348 18 1HA GLY 4 2HA GLY 4 11.813 -0.085 -0.151 19 2HA GLY 4 1HA GLY 4 10.496 -0.489 -1.244 20 H ARG 5 H ARG 5 12.332 -2.384 -1.054 21 HA ARG 5 HA ARG 5 14.607 -2.142 -2.767 22 1HB ARG 5 2HB ARG 5 13.302 -4.247 -1.223 23 2HB ARG 5 1HB ARG 5 13.644 -4.896 -2.807 24 1HG ARG 5 2HG ARG 5 15.937 -3.354 -1.798 25 2HG ARG 5 1HG ARG 5 15.452 -4.554 -0.644 26 1HD ARG 5 2HD ARG 5 15.868 -5.260 -3.580 27 2HD ARG 5 1HD ARG 5 17.191 -5.290 -2.419 28 HE ARG 5 HE ARG 5 15.163 -6.825 -1.256 29 1HH1 ARG 5 1HH2 ARG 5 17.916 -7.764 -1.998 30 2HH1 ARG 5 2HH2 ARG 5 17.586 -9.026 -3.132 31 1HH2 ARG 5 2HH1 ARG 5 14.280 -7.952 -3.630 32 2HH2 ARG 5 1HH1 ARG 5 15.459 -9.134 -4.089 33 H GLY 6 H GLY 6 14.422 -1.489 -4.689 34 1HA GLY 6 2HA GLY 6 13.997 -2.446 -7.034 35 2HA GLY 6 1HA GLY 6 12.328 -2.567 -6.554 36 H SER 7 H SER 7 13.083 0.125 -5.042 37 HA SER 7 HA SER 7 12.440 1.910 -7.356 38 1HB SER 7 2HB SER 7 11.755 2.093 -4.377 39 2HB SER 7 1HB SER 7 11.480 3.423 -5.520 40 HG SER 7 HG SER 7 10.265 2.001 -6.783 41 H ARG 8 H ARG 8 13.727 3.698 -7.673 42 HA ARG 8 HA ARG 8 16.390 3.651 -6.520 43 1HB ARG 8 2HB ARG 8 16.871 5.416 -8.084 44 2HB ARG 8 1HB ARG 8 15.809 4.294 -8.912 45 1HG ARG 8 2HG ARG 8 13.903 5.860 -8.010 46 2HG ARG 8 1HG ARG 8 15.174 7.025 -7.807 47 1HD ARG 8 2HD ARG 8 15.109 5.637 -10.487 48 2HD ARG 8 1HD ARG 8 13.830 6.793 -10.158 49 HE ARG 8 HE ARG 8 15.411 8.484 -10.451 50 1HH1 ARG 8 1HH2 ARG 8 17.065 8.220 -8.196 51 2HH1 ARG 8 2HH2 ARG 8 18.609 7.717 -8.802 52 1HH2 ARG 8 2HH1 ARG 8 17.257 6.655 -11.862 53 2HH2 ARG 8 1HH1 ARG 8 18.719 6.800 -10.944 54 H CYS 9 H CYS 9 17.144 6.151 -6.215 55 HA CYS 9 HA CYS 9 15.463 7.250 -4.067 56 1HB CYS 9 2HB CYS 9 17.263 7.531 -2.609 57 2HB CYS 9 1HB CYS 9 17.477 5.943 -3.265 58 HA HYP 10 HA HYP 10 15.282 8.794 -2.864 59 1HB HYP 10 1HB HYP 10 15.138 10.765 -1.848 60 2HB HYP 10 2HB HYP 10 13.786 11.211 -2.862 61 1HD HYP 10 1HD1 HYP 10 17.419 11.272 -4.897 62 2HD HYP 10 2HD1 HYP 10 15.890 11.425 -5.778 63 HOD HYP 10 HD2 HYP 10 16.921 13.076 -2.697 64 HG HYP 10 HG HYP 10 15.258 12.800 -3.937 65 HA HYP 11 HA HYP 11 12.649 9.979 -1.721 66 1HB HYP 11 1HB HYP 11 10.637 9.265 -1.044 67 2HB HYP 11 2HB HYP 11 11.195 7.600 -0.979 68 1HD HYP 11 1HD1 HYP 11 10.896 9.209 -4.741 69 2HD HYP 11 2HD1 HYP 11 11.432 7.523 -4.692 70 HOD HYP 11 HD2 HYP 11 9.713 9.968 -3.062 71 HG HYP 11 HG HYP 11 9.944 7.136 -2.900 72 H GLN 12 H GLN 12 14.248 9.645 -0.321 73 HA GLN 12 HA GLN 12 16.343 7.888 -0.556 74 1HB GLN 12 2HB GLN 12 15.099 9.038 1.972 75 2HB GLN 12 1HB GLN 12 16.637 8.204 1.974 76 1HG GLN 12 2HG GLN 12 17.605 10.216 1.490 77 2HG GLN 12 1HG GLN 12 16.983 10.024 -0.138 78 1HE2 GLN 12 2HE2 GLN 12 15.051 12.947 0.273 79 2HE2 GLN 12 1HE2 GLN 12 16.046 12.041 -0.746 80 H CYS 13 H CYS 13 16.657 5.760 -0.304 81 HA CYS 13 HA CYS 13 14.562 3.932 0.012 82 1HB CYS 13 2HB CYS 13 17.262 3.105 0.967 83 2HB CYS 13 1HB CYS 13 16.126 2.299 -0.066 84 H CYS 14 H CYS 14 13.684 2.855 1.572 85 HA CYS 14 HA CYS 14 13.365 3.912 4.141 86 1HB CYS 14 2HB CYS 14 12.859 1.093 3.166 87 2HB CYS 14 1HB CYS 14 12.182 1.775 4.614 88 H MET 15 H MET 15 13.552 2.504 6.143 89 HA MET 15 HA MET 15 16.240 2.336 6.919 90 1HB MET 15 2HB MET 15 14.207 2.545 8.440 91 2HB MET 15 1HB MET 15 13.894 0.841 8.183 92 1HG MET 15 2HG MET 15 15.418 0.271 9.732 93 2HG MET 15 1HG MET 15 16.673 1.182 8.947 94 1HE MET 15 2HE MET 15 17.812 3.126 9.821 95 2HE MET 15 1HE MET 15 16.428 4.065 9.209 96 3HE MET 15 3HE MET 15 17.062 4.354 10.821 97 H GLY 16 H GLY 16 17.740 0.869 6.669 98 1HA GLY 16 2HA GLY 16 18.641 -1.339 6.659 99 2HA GLY 16 1HA GLY 16 17.081 -1.948 6.129 100 H LEU 17 H LEU 17 16.872 0.252 4.102 101 HA LEU 17 HA LEU 17 18.421 -1.094 2.034 102 1HB LEU 17 2HB LEU 17 16.396 1.166 1.822 103 2HB LEU 17 1HB LEU 17 17.152 0.398 0.450 104 HG LEU 17 HG LEU 17 15.068 -0.717 2.333 105 1HD1 LEU 17 2HD1 LEU 17 14.448 0.660 0.323 106 2HD1 LEU 17 1HD1 LEU 17 15.101 -0.624 -0.682 107 3HD1 LEU 17 3HD1 LEU 17 13.747 -0.948 0.389 108 1HD2 LEU 17 1HD2 LEU 17 16.819 -2.537 1.915 109 2HD2 LEU 17 3HD2 LEU 17 15.231 -2.897 1.265 110 3HD2 LEU 17 2HD2 LEU 17 16.496 -2.343 0.193 111 H ARG 18 H ARG 18 19.386 0.108 0.362 112 HA ARG 18 HA ARG 18 20.622 2.717 0.966 113 1HB ARG 18 2HB ARG 18 22.771 1.542 -0.040 114 2HB ARG 18 1HB ARG 18 22.436 1.439 1.675 115 1HG ARG 18 2HG ARG 18 21.717 -0.790 1.517 116 2HG ARG 18 1HG ARG 18 21.301 -0.671 -0.173 117 1HD ARG 18 2HD ARG 18 24.168 -0.610 0.850 118 2HD ARG 18 1HD ARG 18 23.369 -2.040 0.194 119 HE ARG 18 HE ARG 18 23.092 0.126 -1.651 120 1HH1 ARG 18 1HH2 ARG 18 26.013 -0.030 -0.534 121 2HH1 ARG 18 2HH2 ARG 18 26.771 -0.926 -1.806 122 1HH2 ARG 18 2HH1 ARG 18 23.716 -1.913 -3.205 123 2HH2 ARG 18 1HH1 ARG 18 25.436 -2.019 -3.358 124 H CYS 19 H CYS 19 21.249 3.741 -0.869 125 HA CYS 19 HA CYS 19 19.705 3.156 -3.264 126 1HB CYS 19 2HB CYS 19 20.330 5.438 -2.252 127 2HB CYS 19 1HB CYS 19 21.854 5.268 -3.068 128 H GLY 20 H GLY 20 20.353 1.457 -4.499 129 1HA GLY 20 2HA GLY 20 23.177 0.920 -5.082 130 2HA GLY 20 1HA GLY 20 21.780 0.048 -5.728 131 H ARG 21 H ARG 21 24.236 1.961 -6.638 132 HA ARG 21 HA ARG 21 23.163 3.866 -8.382 133 1HB ARG 21 2HB ARG 21 25.366 4.062 -9.240 134 2HB ARG 21 1HB ARG 21 25.601 3.498 -7.606 135 1HG ARG 21 2HG ARG 21 25.671 1.707 -10.084 136 2HG ARG 21 1HG ARG 21 27.069 2.325 -9.239 137 1HD ARG 21 2HD ARG 21 26.369 1.119 -7.162 138 2HD ARG 21 1HD ARG 21 24.987 0.452 -8.027 139 HE ARG 21 HE ARG 21 27.809 -0.302 -8.430 140 1HH1 ARG 21 1HH1 ARG 21 26.033 -1.645 -11.386 141 2HH1 ARG 21 2HH1 ARG 21 26.858 -0.145 -11.118 142 1HH2 ARG 21 1HH2 ARG 21 25.757 -2.326 -7.958 143 2HH2 ARG 21 2HH2 ARG 21 25.391 -2.915 -9.546 144 H GLY 22 H GLY 22 23.058 3.907 -10.672 145 1HA GLY 22 2HA GLY 22 23.248 2.044 -12.630 146 2HA GLY 22 1HA GLY 22 21.757 1.535 -11.827 147 H ASN 23 H ASN 23 20.782 2.065 -13.942 148 HA ASN 23 HA ASN 23 19.650 4.739 -13.867 149 1HB ASN 23 2HB ASN 23 22.010 4.448 -15.373 150 2HB ASN 23 1HB ASN 23 20.758 4.341 -16.599 151 1HD2 ASN 23 2HD2 ASN 23 20.293 7.807 -16.578 152 2HD2 ASN 23 1HD2 ASN 23 20.255 6.341 -17.432 153 HA PRO 24 HA PRO 24 17.722 5.077 -13.446 154 1HB PRO 24 2HB PRO 24 15.443 3.837 -12.426 155 2HB PRO 24 1HB PRO 24 15.482 5.178 -13.556 156 1HG PRO 24 2HG PRO 24 14.809 2.360 -14.089 157 2HG PRO 24 1HG PRO 24 14.512 3.768 -15.098 158 1HD PRO 24 2HD PRO 24 16.538 1.775 -15.501 159 2HD PRO 24 1HD PRO 24 16.360 3.291 -16.400 160 H GLN 25 H GLN 25 18.406 4.980 -11.388 161 HA GLN 25 HA GLN 25 19.851 2.763 -10.380 162 1HB GLN 25 2HB GLN 25 18.667 5.156 -8.910 163 2HB GLN 25 1HB GLN 25 19.871 4.084 -8.219 164 1HG GLN 25 2HG GLN 25 21.537 4.797 -9.784 165 2HG GLN 25 1HG GLN 25 20.334 5.475 -10.871 166 1HE2 GLN 25 2HE2 GLN 25 21.225 8.590 -9.582 167 2HE2 GLN 25 1HE2 GLN 25 21.241 7.532 -10.913 168 H LYS 26 H LYS 26 19.347 1.893 -8.049 169 HA LYS 26 HA LYS 26 16.525 1.397 -7.475 170 1HB LYS 26 2HB LYS 26 17.104 -0.173 -9.398 171 2HB LYS 26 1HB LYS 26 18.246 -0.967 -8.329 172 1HG LYS 26 2HG LYS 26 16.258 -1.346 -6.739 173 2HG LYS 26 1HG LYS 26 15.250 -0.785 -8.060 174 1HD LYS 26 2HD LYS 26 17.272 -3.023 -8.478 175 2HD LYS 26 1HD LYS 26 15.681 -3.369 -7.853 176 1HE LYS 26 2HE LYS 26 15.194 -3.591 -10.108 177 2HE LYS 26 1HE LYS 26 14.933 -1.860 -9.996 178 1HZ LYS 26 3HZ LYS 26 17.654 -2.785 -10.492 179 2HZ LYS 26 2HZ LYS 26 16.531 -2.936 -11.755 180 3HZ LYS 26 1HZ LYS 26 16.853 -1.411 -11.083 181 H CYS 27 H CYS 27 16.303 1.213 -5.309 182 HA CYS 27 HA CYS 27 18.600 0.971 -3.633 183 1HB CYS 27 2HB CYS 27 15.684 0.701 -2.729 184 2HB CYS 27 1HB CYS 27 17.087 1.027 -1.791 185 H ILE 28 H ILE 28 19.177 -0.651 -2.345 186 HA ILE 28 HA ILE 28 17.876 -3.317 -2.561 187 HB ILE 28 HB ILE 28 20.194 -4.302 -2.606 188 1HG1 ILE 28 2HG1 ILE 28 21.183 -2.096 -1.623 189 2HG1 ILE 28 1HG1 ILE 28 22.118 -3.033 -2.720 190 1HG2 ILE 28 1HG2 ILE 28 19.212 -2.639 -4.920 191 2HG2 ILE 28 3HG2 ILE 28 20.743 -3.486 -5.051 192 3HG2 ILE 28 2HG2 ILE 28 19.269 -4.381 -4.736 193 1HD1 ILE 28 2HD1 ILE 28 20.482 -0.959 -4.045 194 2HD1 ILE 28 1HD1 ILE 28 21.747 -0.378 -2.978 195 3HD1 ILE 28 3HD1 ILE 28 22.144 -1.457 -4.309 196 H GLY 29 H GLY 29 19.498 -4.580 -0.750 197 1HA GLY 29 2HA GLY 29 19.082 -2.924 1.668 198 2HA GLY 29 1HA GLY 29 19.048 -4.654 1.668 199 H ALA 30 H ALA 30 20.618 -2.591 3.125 200 HA ALA 30 HA ALA 30 23.406 -2.849 2.316 201 1HB ALA 30 2HB ALA 30 22.095 -1.919 4.916 202 2HB ALA 30 1HB ALA 30 23.825 -1.832 4.610 203 3HB ALA 30 3HB ALA 30 22.713 -0.889 3.634 204 H HIS 31 H HIS 31 21.248 -4.231 4.649 205 HA HIS 31 HA HIS 31 23.197 -6.336 5.447 206 1HB HIS 31 2HB HIS 31 21.648 -4.848 7.072 207 2HB HIS 31 1HB HIS 31 20.429 -6.049 6.671 208 HD1 HIS 31 HD1 HIS 31 23.656 -5.725 8.444 209 HD2 HIS 31 HD2 HIS 31 20.935 -8.669 7.673 210 HE1 HIS 31 HE1 HIS 31 24.261 -7.626 9.896 211 1HN CGU 32 HN CGU 32 22.057 -6.224 2.906 212 HA CGU 32 HA CGU 32 20.503 -8.769 2.753 213 1HB CGU 32 1HB CGU 32 20.330 -6.262 1.030 214 2HB CGU 32 2HB CGU 32 19.139 -6.813 2.181 215 HG CGU 32 HG CGU 32 19.290 -9.020 0.637 216 H ASP 33 H ASP 33 22.250 -9.865 2.640 217 HA ASP 33 HA ASP 33 24.160 -9.529 0.379 218 1HB ASP 33 2HB ASP 33 24.551 -11.036 3.008 219 2HB ASP 33 1HB ASP 33 25.787 -10.572 1.858 220 H VAL 34 H VAL 34 21.786 -10.521 -0.265 221 HA VAL 34 HA VAL 34 22.300 -13.443 -0.606 222 HB VAL 34 HB VAL 34 20.527 -12.881 1.149 223 1HG1 VAL 34 3HG1 VAL 34 19.587 -10.948 -0.382 224 2HG1 VAL 34 2HG1 VAL 34 18.647 -12.226 -1.129 225 3HG1 VAL 34 1HG1 VAL 34 18.470 -11.888 0.586 226 1HG2 VAL 34 2HG2 VAL 34 20.649 -15.079 -0.157 227 2HG2 VAL 34 1HG2 VAL 34 19.083 -14.686 0.521 228 3HG2 VAL 34 3HG2 VAL 34 19.379 -14.449 -1.192 No H/Q in entry = 228 Start of MODEL 6 1 1H ALA 1 1H ALA 1 9.233 9.828 4.165 2 2H ALA 1 3H ALA 1 7.558 9.595 4.314 3 3H ALA 1 2H ALA 1 8.622 8.302 4.594 4 HA ALA 1 HA ALA 1 7.645 7.994 2.469 5 1HB ALA 1 1HB ALA 1 8.597 10.853 1.995 6 2HB ALA 1 3HB ALA 1 8.072 9.793 0.695 7 3HB ALA 1 2HB ALA 1 6.942 10.265 1.956 8 H CYS 2 H CYS 2 9.070 6.398 2.205 9 HA CYS 2 HA CYS 2 11.822 7.051 1.273 10 1HB CYS 2 2HB CYS 2 12.459 4.910 2.330 11 2HB CYS 2 1HB CYS 2 11.987 6.080 3.511 12 H SER 3 H SER 3 12.743 4.978 0.236 13 HA SER 3 HA SER 3 10.777 4.020 -1.814 14 1HB SER 3 2HB SER 3 13.749 4.626 -1.897 15 2HB SER 3 1HB SER 3 13.070 3.466 -3.043 16 HG SER 3 HG SER 3 12.929 5.485 -3.837 17 H GLY 4 H GLY 4 10.645 1.834 -2.253 18 1HA GLY 4 2HA GLY 4 11.668 0.022 -0.125 19 2HA GLY 4 1HA GLY 4 10.386 -0.344 -1.277 20 H ARG 5 H ARG 5 12.247 -2.243 -0.978 21 HA ARG 5 HA ARG 5 14.520 -1.963 -2.720 22 1HB ARG 5 2HB ARG 5 14.214 -3.703 -0.851 23 2HB ARG 5 1HB ARG 5 13.173 -4.594 -1.942 24 1HG ARG 5 2HG ARG 5 14.922 -5.091 -3.445 25 2HG ARG 5 1HG ARG 5 15.885 -3.710 -2.966 26 1HD ARG 5 2HD ARG 5 17.012 -5.610 -2.052 27 2HD ARG 5 1HD ARG 5 16.184 -4.884 -0.679 28 HE ARG 5 HE ARG 5 14.512 -6.640 -0.800 29 1HH1 ARG 5 1HH2 ARG 5 15.320 -6.972 -3.845 30 2HH1 ARG 5 2HH2 ARG 5 15.869 -8.615 -3.807 31 1HH2 ARG 5 2HH1 ARG 5 15.992 -8.716 -0.317 32 2HH2 ARG 5 1HH1 ARG 5 16.265 -9.622 -1.767 33 H GLY 6 H GLY 6 13.804 -1.161 -4.616 34 1HA GLY 6 2HA GLY 6 13.335 -2.638 -6.849 35 2HA GLY 6 1HA GLY 6 11.698 -2.423 -6.223 36 H SER 7 H SER 7 13.134 0.223 -5.141 37 HA SER 7 HA SER 7 12.920 1.847 -7.637 38 1HB SER 7 2HB SER 7 11.545 2.408 -4.952 39 2HB SER 7 1HB SER 7 11.622 3.564 -6.294 40 HG SER 7 HG SER 7 10.651 0.907 -6.480 41 H ARG 8 H ARG 8 14.360 3.559 -7.715 42 HA ARG 8 HA ARG 8 16.622 3.446 -5.886 43 1HB ARG 8 2HB ARG 8 17.622 5.076 -7.416 44 2HB ARG 8 1HB ARG 8 16.818 3.835 -8.343 45 1HG ARG 8 2HG ARG 8 14.764 5.657 -8.016 46 2HG ARG 8 1HG ARG 8 16.145 6.710 -8.049 47 1HD ARG 8 2HD ARG 8 16.564 4.864 -10.203 48 2HD ARG 8 1HD ARG 8 14.870 5.331 -10.273 49 HE ARG 8 HE ARG 8 15.777 7.745 -10.138 50 1HH1 ARG 8 2HH1 ARG 8 18.301 8.204 -10.272 51 2HH1 ARG 8 1HH1 ARG 8 18.915 7.814 -11.844 52 1HH2 ARG 8 1HH2 ARG 8 16.140 5.844 -12.664 53 2HH2 ARG 8 2HH2 ARG 8 17.660 6.447 -13.233 54 H CYS 9 H CYS 9 17.454 5.981 -5.622 55 HA CYS 9 HA CYS 9 15.421 7.189 -3.861 56 1HB CYS 9 2HB CYS 9 17.101 7.808 -2.351 57 2HB CYS 9 1HB CYS 9 17.496 6.185 -2.817 58 HA HYP 10 HA HYP 10 15.207 8.909 -2.719 59 1HB HYP 10 1HB HYP 10 15.015 11.004 -1.954 60 2HB HYP 10 2HB HYP 10 13.580 11.214 -2.940 61 1HD HYP 10 1HD1 HYP 10 17.096 11.242 -5.164 62 2HD HYP 10 2HD1 HYP 10 15.528 11.171 -5.981 63 HOD HYP 10 HD2 HYP 10 17.046 11.611 -2.898 64 HG HYP 10 HG HYP 10 14.850 12.724 -4.318 65 HA HYP 11 HA HYP 11 12.722 10.032 -1.536 66 1HB HYP 11 1HB HYP 11 10.685 9.494 -0.743 67 2HB HYP 11 2HB HYP 11 11.172 7.824 -0.535 68 1HD HYP 11 1HD1 HYP 11 10.747 9.133 -4.392 69 2HD HYP 11 2HD1 HYP 11 11.225 7.434 -4.266 70 HOD HYP 11 HD2 HYP 11 9.650 10.036 -2.642 71 HG HYP 11 HG HYP 11 9.860 7.210 -2.358 72 H GLN 12 H GLN 12 14.279 9.654 -0.066 73 HA GLN 12 HA GLN 12 16.373 7.912 -0.294 74 1HB GLN 12 2HB GLN 12 16.201 9.776 1.371 75 2HB GLN 12 1HB GLN 12 15.139 8.786 2.354 76 1HG GLN 12 2HG GLN 12 16.951 7.109 2.665 77 2HG GLN 12 1HG GLN 12 18.011 8.034 1.606 78 1HE2 GLN 12 2HE2 GLN 12 18.498 10.662 4.038 79 2HE2 GLN 12 1HE2 GLN 12 18.344 10.420 2.364 80 H CYS 13 H CYS 13 16.612 5.741 -0.229 81 HA CYS 13 HA CYS 13 14.529 3.931 0.091 82 1HB CYS 13 2HB CYS 13 17.193 2.964 1.019 83 2HB CYS 13 1HB CYS 13 16.049 2.282 -0.086 84 H CYS 14 H CYS 14 13.668 2.793 1.596 85 HA CYS 14 HA CYS 14 13.360 3.746 4.216 86 1HB CYS 14 2HB CYS 14 12.808 0.967 3.159 87 2HB CYS 14 1HB CYS 14 12.069 1.677 4.562 88 H MET 15 H MET 15 13.589 2.358 6.180 89 HA MET 15 HA MET 15 16.282 2.054 6.869 90 1HB MET 15 2HB MET 15 14.349 2.318 8.475 91 2HB MET 15 1HB MET 15 13.885 0.660 8.153 92 1HG MET 15 2HG MET 15 15.784 -0.218 9.209 93 2HG MET 15 1HG MET 15 16.704 1.250 9.046 94 1HE MET 15 3HE MET 15 15.896 3.477 10.212 95 2HE MET 15 2HE MET 15 15.868 3.394 11.957 96 3HE MET 15 1HE MET 15 17.256 2.740 11.091 97 H GLY 16 H GLY 16 17.719 0.555 6.534 98 1HA GLY 16 2HA GLY 16 18.494 -1.723 6.508 99 2HA GLY 16 1HA GLY 16 16.931 -2.214 5.878 100 H LEU 17 H LEU 17 16.936 0.097 3.951 101 HA LEU 17 HA LEU 17 18.588 -1.205 1.912 102 1HB LEU 17 2HB LEU 17 16.292 0.761 1.776 103 2HB LEU 17 1HB LEU 17 17.320 0.521 0.387 104 HG LEU 17 HG LEU 17 16.694 -2.102 1.237 105 1HD1 LEU 17 2HD1 LEU 17 14.800 -1.086 2.532 106 2HD1 LEU 17 1HD1 LEU 17 14.198 -0.385 1.030 107 3HD1 LEU 17 3HD1 LEU 17 14.254 -2.132 1.225 108 1HD2 LEU 17 3HD2 LEU 17 16.891 -0.857 -1.137 109 2HD2 LEU 17 2HD2 LEU 17 16.057 -2.376 -0.940 110 3HD2 LEU 17 1HD2 LEU 17 15.151 -0.867 -0.999 111 H ARG 18 H ARG 18 19.491 0.115 0.282 112 HA ARG 18 HA ARG 18 20.715 2.694 1.034 113 1HB ARG 18 2HB ARG 18 22.829 1.558 -0.177 114 2HB ARG 18 1HB ARG 18 22.586 1.428 1.552 115 1HG ARG 18 2HG ARG 18 21.790 -0.781 1.386 116 2HG ARG 18 1HG ARG 18 21.392 -0.630 -0.305 117 1HD ARG 18 2HD ARG 18 23.410 -2.028 -0.068 118 2HD ARG 18 1HD ARG 18 23.822 -0.522 -0.887 119 HE ARG 18 HE ARG 18 24.194 -0.035 1.845 120 1HH1 ARG 18 1HH2 ARG 18 25.187 -2.589 2.425 121 2HH1 ARG 18 2HH2 ARG 18 26.813 -2.616 1.832 122 1HH2 ARG 18 1HH1 ARG 18 27.481 -1.024 0.296 123 2HH2 ARG 18 2HH1 ARG 18 26.337 0.164 -0.236 124 H CYS 19 H CYS 19 21.251 3.871 -0.735 125 HA CYS 19 HA CYS 19 19.619 3.459 -3.100 126 1HB CYS 19 2HB CYS 19 20.218 5.657 -1.980 127 2HB CYS 19 1HB CYS 19 21.777 5.551 -2.741 128 H GLY 20 H GLY 20 20.292 1.689 -4.314 129 1HA GLY 20 2HA GLY 20 23.073 1.331 -5.130 130 2HA GLY 20 1HA GLY 20 21.683 0.397 -5.692 131 H ARG 21 H ARG 21 23.259 3.517 -6.038 132 HA ARG 21 HA ARG 21 21.726 4.380 -8.293 133 1HB ARG 21 2HB ARG 21 23.511 6.197 -8.359 134 2HB ARG 21 1HB ARG 21 22.660 6.030 -6.845 135 1HG ARG 21 2HG ARG 21 24.518 5.362 -5.689 136 2HG ARG 21 1HG ARG 21 25.090 4.320 -6.977 137 1HD ARG 21 2HD ARG 21 26.689 6.140 -6.681 138 2HD ARG 21 1HD ARG 21 25.875 6.370 -8.227 139 HE ARG 21 HE ARG 21 24.620 7.761 -5.961 140 1HH1 ARG 21 2HH1 ARG 21 24.063 9.021 -8.362 141 2HH1 ARG 21 1HH1 ARG 21 25.297 10.216 -8.590 142 1HH2 ARG 21 1HH2 ARG 21 27.458 8.713 -6.279 143 2HH2 ARG 21 2HH2 ARG 21 27.273 10.033 -7.384 144 H GLY 22 H GLY 22 23.289 1.784 -8.533 145 1HA GLY 22 2HA GLY 22 25.308 2.238 -10.590 146 2HA GLY 22 1HA GLY 22 24.671 0.679 -10.069 147 H ASN 23 H ASN 23 23.590 -0.357 -11.595 148 HA ASN 23 HA ASN 23 21.591 0.969 -13.253 149 1HB ASN 23 2HB ASN 23 23.644 1.464 -14.544 150 2HB ASN 23 1HB ASN 23 24.050 -0.248 -14.583 151 1HD2 ASN 23 2HD2 ASN 23 21.620 -1.042 -17.061 152 2HD2 ASN 23 1HD2 ASN 23 22.624 -1.676 -15.847 153 HA PRO 24 HA PRO 24 19.703 0.460 -13.998 154 1HB PRO 24 2HB PRO 24 17.417 -0.563 -12.764 155 2HB PRO 24 1HB PRO 24 17.803 -0.644 -14.474 156 1HG PRO 24 2HG PRO 24 17.890 -2.813 -12.476 157 2HG PRO 24 1HG PRO 24 17.912 -2.934 -14.231 158 1HD PRO 24 2HD PRO 24 20.151 -3.271 -12.461 159 2HD PRO 24 1HD PRO 24 20.208 -3.214 -14.231 160 H GLN 25 H GLN 25 19.240 2.202 -12.735 161 HA GLN 25 HA GLN 25 20.316 2.345 -10.077 162 1HB GLN 25 2HB GLN 25 18.458 4.221 -11.613 163 2HB GLN 25 1HB GLN 25 19.206 4.637 -10.077 164 1HG GLN 25 2HG GLN 25 21.456 4.342 -11.056 165 2HG GLN 25 1HG GLN 25 20.755 3.823 -12.584 166 1HE2 GLN 25 2HE2 GLN 25 19.746 7.113 -13.546 167 2HE2 GLN 25 1HE2 GLN 25 19.368 5.468 -13.732 168 H LYS 26 H LYS 26 19.442 1.425 -8.393 169 HA LYS 26 HA LYS 26 16.670 1.819 -7.617 170 1HB LYS 26 2HB LYS 26 17.520 -0.674 -8.970 171 2HB LYS 26 1HB LYS 26 16.768 -0.986 -7.423 172 1HG LYS 26 2HG LYS 26 14.734 -0.247 -8.062 173 2HG LYS 26 1HG LYS 26 15.329 1.044 -9.067 174 1HD LYS 26 2HD LYS 26 16.132 -1.069 -10.594 175 2HD LYS 26 1HD LYS 26 14.781 -1.820 -9.764 176 1HE LYS 26 2HE LYS 26 13.788 -0.865 -11.699 177 2HE LYS 26 1HE LYS 26 13.434 0.319 -10.451 178 1HZ LYS 26 1HZ LYS 26 15.599 1.409 -11.188 179 2HZ LYS 26 3HZ LYS 26 15.474 0.436 -12.570 180 3HZ LYS 26 2HZ LYS 26 14.252 1.554 -12.204 181 H CYS 27 H CYS 27 16.220 1.142 -5.408 182 HA CYS 27 HA CYS 27 18.622 1.195 -3.791 183 1HB CYS 27 2HB CYS 27 15.736 0.806 -2.845 184 2HB CYS 27 1HB CYS 27 17.139 1.097 -1.898 185 H ILE 28 H ILE 28 19.302 -0.476 -2.487 186 HA ILE 28 HA ILE 28 18.069 -3.167 -2.826 187 HB ILE 28 HB ILE 28 20.360 -4.101 -2.980 188 1HG1 ILE 28 2HG1 ILE 28 21.391 -2.073 -1.710 189 2HG1 ILE 28 1HG1 ILE 28 22.299 -2.847 -2.943 190 1HG2 ILE 28 3HG2 ILE 28 19.671 -2.055 -5.123 191 2HG2 ILE 28 2HG2 ILE 28 20.977 -3.218 -5.282 192 3HG2 ILE 28 1HG2 ILE 28 19.322 -3.773 -5.106 193 1HD1 ILE 28 1HD1 ILE 28 20.715 -0.564 -3.928 194 2HD1 ILE 28 3HD1 ILE 28 21.958 -0.175 -2.752 195 3HD1 ILE 28 2HD1 ILE 28 22.386 -1.024 -4.228 196 H GLY 29 H GLY 29 19.579 -4.530 -1.092 197 1HA GLY 29 2HA GLY 29 19.070 -3.071 1.415 198 2HA GLY 29 1HA GLY 29 19.179 -4.780 1.294 199 H ALA 30 H ALA 30 20.520 -2.664 2.902 200 HA ALA 30 HA ALA 30 23.381 -2.840 2.234 201 1HB ALA 30 1HB ALA 30 21.735 -1.006 3.711 202 2HB ALA 30 3HB ALA 30 22.787 -1.748 4.900 203 3HB ALA 30 2HB ALA 30 23.475 -0.919 3.517 204 H HIS 31 H HIS 31 21.007 -3.815 4.546 205 HA HIS 31 HA HIS 31 22.791 -5.776 5.901 206 1HB HIS 31 2HB HIS 31 20.130 -4.439 6.494 207 2HB HIS 31 1HB HIS 31 20.339 -6.060 7.140 208 HD1 HIS 31 HD1 HIS 31 21.398 -2.642 7.743 209 HD2 HIS 31 HD2 HIS 31 22.634 -6.352 8.911 210 HE1 HIS 31 HE1 HIS 31 22.888 -2.301 9.681 211 1HN CGU 32 HN CGU 32 22.759 -6.428 3.511 212 HA CGU 32 HA CGU 32 21.121 -8.840 3.240 213 1HB CGU 32 1HB CGU 32 21.075 -6.602 1.146 214 2HB CGU 32 2HB CGU 32 19.789 -6.996 2.261 215 HG CGU 32 HG CGU 32 19.966 -9.396 1.238 216 H ASP 33 H ASP 33 22.856 -10.019 3.298 217 HA ASP 33 HA ASP 33 24.923 -9.727 1.156 218 1HB ASP 33 2HB ASP 33 25.630 -9.140 3.610 219 2HB ASP 33 1HB ASP 33 25.472 -10.852 3.946 220 H VAL 34 H VAL 34 22.695 -11.075 0.651 221 HA VAL 34 HA VAL 34 23.532 -13.943 0.765 222 HB VAL 34 HB VAL 34 21.661 -13.480 2.357 223 1HG1 VAL 34 1HG1 VAL 34 20.596 -11.592 1.110 224 2HG1 VAL 34 3HG1 VAL 34 20.021 -12.728 -0.106 225 3HG1 VAL 34 2HG1 VAL 34 19.436 -12.835 1.545 226 1HG2 VAL 34 2HG2 VAL 34 21.871 -15.703 1.117 227 2HG2 VAL 34 1HG2 VAL 34 20.268 -15.336 1.725 228 3HG2 VAL 34 3HG2 VAL 34 20.624 -15.132 0.021 No H/Q in entry = 228 Start of MODEL 7 1 1H ALA 1 3H ALA 1 7.895 10.226 0.725 2 2H ALA 1 2H ALA 1 6.785 10.320 2.009 3 3H ALA 1 1H ALA 1 8.452 10.234 2.330 4 HA ALA 1 HA ALA 1 7.611 8.098 2.750 5 1HB ALA 1 3HB ALA 1 6.263 8.407 0.030 6 2HB ALA 1 2HB ALA 1 6.312 6.893 0.920 7 3HB ALA 1 1HB ALA 1 5.460 8.278 1.585 8 H CYS 2 H CYS 2 9.421 7.025 2.695 9 HA CYS 2 HA CYS 2 11.570 7.275 0.886 10 1HB CYS 2 2HB CYS 2 12.365 5.156 2.023 11 2HB CYS 2 1HB CYS 2 11.996 6.449 3.109 12 H SER 3 H SER 3 12.593 5.116 0.050 13 HA SER 3 HA SER 3 10.756 3.985 -2.018 14 1HB SER 3 2HB SER 3 13.665 4.736 -1.952 15 2HB SER 3 1HB SER 3 13.245 3.342 -2.939 16 HG SER 3 HG SER 3 11.759 4.518 -4.006 17 H GLY 4 H GLY 4 10.862 1.706 -2.475 18 1HA GLY 4 2HA GLY 4 11.651 0.067 -0.113 19 2HA GLY 4 1HA GLY 4 10.459 -0.380 -1.332 20 H ARG 5 H ARG 5 12.258 -2.267 -0.882 21 HA ARG 5 HA ARG 5 14.698 -2.060 -2.412 22 1HB ARG 5 2HB ARG 5 14.204 -3.704 -0.527 23 2HB ARG 5 1HB ARG 5 13.184 -4.588 -1.640 24 1HG ARG 5 2HG ARG 5 15.285 -4.674 -3.202 25 2HG ARG 5 1HG ARG 5 16.189 -4.090 -1.817 26 1HD ARG 5 2HD ARG 5 16.316 -6.532 -1.894 27 2HD ARG 5 1HD ARG 5 15.349 -6.065 -0.494 28 HE ARG 5 HE ARG 5 13.395 -6.388 -2.323 29 1HH1 ARG 5 2HH1 ARG 5 14.852 -7.922 -4.213 30 2HH1 ARG 5 1HH1 ARG 5 14.762 -9.554 -3.638 31 1HH2 ARG 5 1HH2 ARG 5 13.840 -8.565 -0.403 32 2HH2 ARG 5 2HH2 ARG 5 14.173 -9.927 -1.422 33 H GLY 6 H GLY 6 14.227 -1.309 -4.388 34 1HA GLY 6 2HA GLY 6 14.172 -2.530 -6.672 35 2HA GLY 6 1HA GLY 6 12.497 -2.885 -6.250 36 H SER 7 H SER 7 12.921 -0.085 -4.805 37 HA SER 7 HA SER 7 11.812 1.531 -7.033 38 1HB SER 7 2HB SER 7 12.015 2.076 -4.025 39 2HB SER 7 1HB SER 7 11.181 3.121 -5.187 40 HG SER 7 HG SER 7 10.601 0.474 -4.420 41 H ARG 8 H ARG 8 12.764 3.679 -7.343 42 HA ARG 8 HA ARG 8 15.683 3.586 -7.274 43 1HB ARG 8 2HB ARG 8 15.592 5.583 -8.638 44 2HB ARG 8 1HB ARG 8 14.235 4.610 -9.162 45 1HG ARG 8 2HG ARG 8 12.730 5.931 -7.667 46 2HG ARG 8 1HG ARG 8 14.074 6.920 -7.175 47 1HD ARG 8 2HD ARG 8 14.300 7.215 -9.889 48 2HD ARG 8 1HD ARG 8 12.552 7.040 -9.714 49 HE ARG 8 HE ARG 8 13.494 8.811 -7.699 50 1HH1 ARG 8 2HH1 ARG 8 11.280 9.184 -9.808 51 2HH1 ARG 8 1HH1 ARG 8 11.840 10.617 -10.602 52 1HH2 ARG 8 1HH2 ARG 8 15.057 10.352 -9.232 53 2HH2 ARG 8 2HH2 ARG 8 14.038 11.304 -10.260 54 H CYS 9 H CYS 9 16.299 6.212 -6.868 55 HA CYS 9 HA CYS 9 15.402 7.061 -4.267 56 1HB CYS 9 2HB CYS 9 17.966 6.939 -3.489 57 2HB CYS 9 1HB CYS 9 16.836 5.650 -3.220 58 HA HYP 10 HA HYP 10 15.435 8.686 -3.111 59 1HB HYP 10 1HB HYP 10 15.523 10.724 -2.234 60 2HB HYP 10 2HB HYP 10 14.154 11.186 -3.216 61 1HD HYP 10 1HD1 HYP 10 17.798 10.825 -5.230 62 2HD HYP 10 2HD1 HYP 10 16.340 11.003 -6.213 63 HOD HYP 10 HD2 HYP 10 17.569 11.227 -2.955 64 HG HYP 10 HG HYP 10 15.633 12.541 -4.567 65 HA HYP 11 HA HYP 11 12.893 10.039 -2.024 66 1HB HYP 11 1HB HYP 11 10.812 9.436 -1.456 67 2HB HYP 11 2HB HYP 11 11.416 7.839 -1.040 68 1HD HYP 11 1HD1 HYP 11 10.992 9.201 -4.834 69 2HD HYP 11 2HD1 HYP 11 11.622 7.552 -4.981 70 HOD HYP 11 HD2 HYP 11 9.076 8.488 -2.211 71 HG HYP 11 HG HYP 11 10.563 6.875 -2.978 72 H GLN 12 H GLN 12 14.355 9.696 -0.465 73 HA GLN 12 HA GLN 12 16.462 7.913 -0.628 74 1HB GLN 12 2HB GLN 12 15.157 9.154 1.828 75 2HB GLN 12 1HB GLN 12 16.677 8.279 1.910 76 1HG GLN 12 2HG GLN 12 17.698 9.860 0.278 77 2HG GLN 12 1HG GLN 12 16.173 10.727 0.146 78 1HE2 GLN 12 2HE2 GLN 12 18.214 10.969 3.716 79 2HE2 GLN 12 1HE2 GLN 12 18.306 9.541 2.803 80 H CYS 13 H CYS 13 16.696 5.771 -0.308 81 HA CYS 13 HA CYS 13 14.521 4.032 -0.010 82 1HB CYS 13 2HB CYS 13 17.160 3.108 1.028 83 2HB CYS 13 1HB CYS 13 16.021 2.338 -0.027 84 H CYS 14 H CYS 14 13.580 2.992 1.554 85 HA CYS 14 HA CYS 14 13.261 4.117 4.103 86 1HB CYS 14 2HB CYS 14 12.680 1.292 3.181 87 2HB CYS 14 1HB CYS 14 11.994 2.033 4.594 88 H MET 15 H MET 15 13.512 2.850 6.179 89 HA MET 15 HA MET 15 16.224 2.539 6.811 90 1HB MET 15 2HB MET 15 14.161 2.944 8.346 91 2HB MET 15 1HB MET 15 13.955 1.209 8.342 92 1HG MET 15 2HG MET 15 16.737 1.848 8.906 93 2HG MET 15 1HG MET 15 15.714 2.798 9.936 94 1HE MET 15 3HE MET 15 17.365 -0.255 9.059 95 2HE MET 15 2HE MET 15 16.980 -1.431 10.283 96 3HE MET 15 1HE MET 15 15.907 -1.249 8.887 97 H GLY 16 H GLY 16 17.602 0.902 6.669 98 1HA GLY 16 2HA GLY 16 18.242 -1.414 6.795 99 2HA GLY 16 1HA GLY 16 16.652 -1.853 6.188 100 H LEU 17 H LEU 17 16.790 0.321 4.130 101 HA LEU 17 HA LEU 17 18.342 -1.178 2.164 102 1HB LEU 17 2HB LEU 17 16.459 1.184 1.847 103 2HB LEU 17 1HB LEU 17 17.182 0.360 0.494 104 HG LEU 17 HG LEU 17 15.103 -0.669 2.439 105 1HD1 LEU 17 3HD1 LEU 17 14.335 0.823 0.668 106 2HD1 LEU 17 2HD1 LEU 17 14.973 -0.278 -0.544 107 3HD1 LEU 17 1HD1 LEU 17 13.669 -0.792 0.524 108 1HD2 LEU 17 3HD2 LEU 17 16.738 -2.541 1.819 109 2HD2 LEU 17 2HD2 LEU 17 15.088 -2.812 1.314 110 3HD2 LEU 17 1HD2 LEU 17 16.278 -2.284 0.138 111 H ARG 18 H ARG 18 19.401 0.049 0.499 112 HA ARG 18 HA ARG 18 20.751 2.566 1.248 113 1HB ARG 18 2HB ARG 18 22.791 1.165 0.040 114 2HB ARG 18 1HB ARG 18 22.611 1.370 1.766 115 1HG ARG 18 2HG ARG 18 21.774 -0.737 2.119 116 2HG ARG 18 1HG ARG 18 21.253 -0.991 0.471 117 1HD ARG 18 2HD ARG 18 24.172 -0.862 1.359 118 2HD ARG 18 1HD ARG 18 23.304 -2.327 0.895 119 HE ARG 18 HE ARG 18 23.030 -0.446 -1.195 120 1HH1 ARG 18 1HH2 ARG 18 24.228 -3.372 -0.796 121 2HH1 ARG 18 2HH2 ARG 18 25.721 -3.172 -1.652 122 1HH2 ARG 18 2HH1 ARG 18 25.395 0.317 -1.784 123 2HH2 ARG 18 1HH1 ARG 18 26.400 -1.021 -2.232 124 H CYS 19 H CYS 19 21.255 3.708 -0.551 125 HA CYS 19 HA CYS 19 19.709 3.081 -2.945 126 1HB CYS 19 2HB CYS 19 19.822 5.343 -2.081 127 2HB CYS 19 1HB CYS 19 21.542 5.400 -2.351 128 H GLY 20 H GLY 20 20.414 1.611 -4.321 129 1HA GLY 20 2HA GLY 20 23.259 1.296 -5.003 130 2HA GLY 20 1HA GLY 20 21.903 0.364 -5.664 131 H ARG 21 H ARG 21 23.908 3.107 -6.093 132 HA ARG 21 HA ARG 21 22.331 4.607 -7.888 133 1HB ARG 21 2HB ARG 21 24.749 4.998 -6.697 134 2HB ARG 21 1HB ARG 21 25.306 4.589 -8.308 135 1HG ARG 21 2HG ARG 21 23.790 6.345 -9.257 136 2HG ARG 21 1HG ARG 21 23.247 6.730 -7.633 137 1HD ARG 21 2HD ARG 21 25.847 7.080 -7.163 138 2HD ARG 21 1HD ARG 21 25.917 7.288 -8.912 139 HE ARG 21 HE ARG 21 23.796 8.898 -8.115 140 1HH1 ARG 21 1HH2 ARG 21 25.348 9.152 -5.573 141 2HH1 ARG 21 2HH2 ARG 21 26.362 10.520 -5.892 142 1HH2 ARG 21 2HH1 ARG 21 25.825 10.357 -9.352 143 2HH2 ARG 21 1HH1 ARG 21 26.639 11.221 -8.090 144 H GLY 22 H GLY 22 22.469 4.869 -10.099 145 1HA GLY 22 2HA GLY 22 23.806 3.554 -12.094 146 2HA GLY 22 1HA GLY 22 22.553 2.389 -11.636 147 H ASN 23 H ASN 23 21.401 2.598 -13.550 148 HA ASN 23 HA ASN 23 19.578 4.870 -13.665 149 1HB ASN 23 2HB ASN 23 21.699 5.586 -14.951 150 2HB ASN 23 1HB ASN 23 21.275 4.378 -16.151 151 1HD2 ASN 23 2HD2 ASN 23 18.195 6.176 -17.035 152 2HD2 ASN 23 1HD2 ASN 23 18.669 4.587 -16.675 153 HA PRO 24 HA PRO 24 17.589 4.850 -13.503 154 1HB PRO 24 2HB PRO 24 15.513 3.264 -12.508 155 2HB PRO 24 1HB PRO 24 15.407 4.458 -13.791 156 1HG PRO 24 2HG PRO 24 15.342 1.528 -14.033 157 2HG PRO 24 1HG PRO 24 14.929 2.738 -15.239 158 1HD PRO 24 2HD PRO 24 17.325 1.145 -15.145 159 2HD PRO 24 1HD PRO 24 16.969 2.461 -16.279 160 H GLN 25 H GLN 25 18.052 5.170 -11.383 161 HA GLN 25 HA GLN 25 19.776 3.403 -9.952 162 1HB GLN 25 2HB GLN 25 18.025 5.636 -8.821 163 2HB GLN 25 1HB GLN 25 19.424 4.938 -8.022 164 1HG GLN 25 2HG GLN 25 20.913 5.764 -9.794 165 2HG GLN 25 1HG GLN 25 19.547 6.368 -10.718 166 1HE2 GLN 25 2HE2 GLN 25 21.214 8.838 -8.156 167 2HE2 GLN 25 1HE2 GLN 25 21.968 7.514 -8.901 168 H LYS 26 H LYS 26 19.352 2.121 -8.059 169 HA LYS 26 HA LYS 26 16.551 1.575 -7.329 170 1HB LYS 26 2HB LYS 26 18.321 -0.394 -8.790 171 2HB LYS 26 1HB LYS 26 17.162 -0.991 -7.622 172 1HG LYS 26 2HG LYS 26 15.322 0.207 -8.863 173 2HG LYS 26 1HG LYS 26 16.502 0.719 -10.053 174 1HD LYS 26 2HD LYS 26 15.578 -1.182 -11.052 175 2HD LYS 26 1HD LYS 26 17.076 -1.786 -10.375 176 1HE LYS 26 2HE LYS 26 14.502 -1.943 -8.779 177 2HE LYS 26 1HE LYS 26 14.872 -3.153 -9.991 178 1HZ LYS 26 2HZ LYS 26 17.179 -3.009 -8.645 179 2HZ LYS 26 1HZ LYS 26 16.053 -2.726 -7.406 180 3HZ LYS 26 3HZ LYS 26 15.949 -4.140 -8.343 181 H CYS 27 H CYS 27 16.371 1.286 -5.247 182 HA CYS 27 HA CYS 27 18.631 1.090 -3.514 183 1HB CYS 27 2HB CYS 27 15.684 0.708 -2.733 184 2HB CYS 27 1HB CYS 27 17.041 1.020 -1.720 185 H ILE 28 H ILE 28 19.257 -0.543 -2.251 186 HA ILE 28 HA ILE 28 18.152 -3.285 -2.641 187 HB ILE 28 HB ILE 28 20.575 -4.049 -2.496 188 1HG1 ILE 28 2HG1 ILE 28 21.160 -1.627 -1.498 189 2HG1 ILE 28 1HG1 ILE 28 22.334 -2.623 -2.292 190 1HG2 ILE 28 1HG2 ILE 28 19.790 -2.323 -4.868 191 2HG2 ILE 28 3HG2 ILE 28 21.164 -3.421 -4.864 192 3HG2 ILE 28 2HG2 ILE 28 19.537 -4.047 -4.667 193 1HD1 ILE 28 1HD1 ILE 28 20.730 -0.583 -3.816 194 2HD1 ILE 28 3HD1 ILE 28 22.201 -0.165 -2.956 195 3HD1 ILE 28 2HD1 ILE 28 22.255 -1.344 -4.259 196 H GLY 29 H GLY 29 19.737 -4.497 -0.746 197 1HA GLY 29 2HA GLY 29 18.978 -3.021 1.706 198 2HA GLY 29 1HA GLY 29 19.011 -4.749 1.601 199 H ALA 30 H ALA 30 20.326 -2.808 3.378 200 HA ALA 30 HA ALA 30 23.144 -2.662 2.912 201 1HB ALA 30 3HB ALA 30 21.361 -2.423 5.329 202 2HB ALA 30 2HB ALA 30 23.108 -2.452 5.541 203 3HB ALA 30 1HB ALA 30 22.361 -1.202 4.562 204 H HIS 31 H HIS 31 21.082 -5.126 4.135 205 HA HIS 31 HA HIS 31 23.334 -6.844 5.004 206 1HB HIS 31 2HB HIS 31 21.114 -6.581 6.327 207 2HB HIS 31 1HB HIS 31 20.342 -7.496 5.038 208 HD1 HIS 31 HD1 HIS 31 20.618 -9.988 5.231 209 HD2 HIS 31 HD2 HIS 31 23.264 -8.080 7.684 210 HE1 HIS 31 HE1 HIS 31 21.707 -11.745 6.576 211 1HN CGU 32 HN CGU 32 22.994 -6.068 2.313 212 HA CGU 32 HA CGU 32 23.407 -8.570 0.952 213 1HB CGU 32 1HB CGU 32 20.850 -7.002 0.465 214 2HB CGU 32 2HB CGU 32 20.976 -8.672 0.915 215 HG CGU 32 HG CGU 32 22.496 -8.151 -1.574 216 H ASP 33 H ASP 33 25.330 -7.571 0.452 217 HA ASP 33 HA ASP 33 25.238 -5.096 -1.200 218 1HB ASP 33 2HB ASP 33 27.385 -6.533 0.419 219 2HB ASP 33 1HB ASP 33 27.815 -5.293 -0.752 220 H VAL 34 H VAL 34 24.118 -7.076 -2.325 221 HA VAL 34 HA VAL 34 25.942 -7.948 -4.506 222 HB VAL 34 HB VAL 34 23.683 -9.739 -3.500 223 1HG1 VAL 34 1HG1 VAL 34 26.185 -10.162 -5.186 224 2HG1 VAL 34 3HG1 VAL 34 25.206 -11.492 -4.584 225 3HG1 VAL 34 2HG1 VAL 34 24.509 -10.321 -5.692 226 1HG2 VAL 34 1HG2 VAL 34 26.566 -9.738 -2.500 227 2HG2 VAL 34 3HG2 VAL 34 25.116 -9.501 -1.535 228 3HG2 VAL 34 2HG2 VAL 34 25.441 -11.065 -2.255 No H/Q in entry = 228 Start of MODEL 8 1 1H ALA 1 2H ALA 1 7.228 9.356 0.510 2 2H ALA 1 1H ALA 1 5.848 9.281 1.502 3 3H ALA 1 3H ALA 1 7.228 10.126 2.024 4 HA ALA 1 HA ALA 1 7.683 8.267 3.137 5 1HB ALA 1 3HB ALA 1 5.441 7.292 2.525 6 2HB ALA 1 2HB ALA 1 6.137 6.694 1.027 7 3HB ALA 1 1HB ALA 1 6.698 6.066 2.571 8 H CYS 2 H CYS 2 9.294 6.691 3.003 9 HA CYS 2 HA CYS 2 11.421 7.150 1.201 10 1HB CYS 2 2HB CYS 2 12.337 5.028 2.221 11 2HB CYS 2 1HB CYS 2 11.881 6.219 3.390 12 H SER 3 H SER 3 12.528 5.106 0.172 13 HA SER 3 HA SER 3 10.633 4.021 -1.877 14 1HB SER 3 2HB SER 3 13.602 4.687 -1.915 15 2HB SER 3 1HB SER 3 12.950 3.519 -3.068 16 HG SER 3 HG SER 3 11.729 6.027 -2.584 17 H GLY 4 H GLY 4 10.763 1.814 -2.431 18 1HA GLY 4 2HA GLY 4 11.745 0.058 -0.225 19 2HA GLY 4 1HA GLY 4 10.481 -0.356 -1.373 20 H ARG 5 H ARG 5 12.413 -2.155 -1.014 21 HA ARG 5 HA ARG 5 14.681 -1.885 -2.757 22 1HB ARG 5 2HB ARG 5 13.980 -3.640 -0.785 23 2HB ARG 5 1HB ARG 5 13.576 -4.635 -2.167 24 1HG ARG 5 2HG ARG 5 15.830 -4.491 -3.040 25 2HG ARG 5 1HG ARG 5 16.241 -3.197 -1.927 26 1HD ARG 5 2HD ARG 5 17.215 -5.178 -1.002 27 2HD ARG 5 1HD ARG 5 15.797 -4.849 -0.011 28 HE ARG 5 HE ARG 5 14.791 -6.530 -1.940 29 1HH1 ARG 5 2HH1 ARG 5 17.629 -7.486 -2.217 30 2HH1 ARG 5 1HH1 ARG 5 17.692 -8.759 -1.041 31 1HH2 ARG 5 1HH2 ARG 5 14.757 -7.784 0.555 32 2HH2 ARG 5 2HH2 ARG 5 16.044 -8.948 0.520 33 H GLY 6 H GLY 6 14.094 -1.204 -4.690 34 1HA GLY 6 2HA GLY 6 13.780 -2.620 -6.916 35 2HA GLY 6 1HA GLY 6 12.105 -2.640 -6.357 36 H SER 7 H SER 7 13.044 0.121 -5.133 37 HA SER 7 HA SER 7 12.524 1.781 -7.563 38 1HB SER 7 2HB SER 7 11.623 2.223 -4.659 39 2HB SER 7 1HB SER 7 11.351 3.363 -5.986 40 HG SER 7 HG SER 7 9.601 2.107 -6.065 41 H ARG 8 H ARG 8 13.778 3.627 -7.734 42 HA ARG 8 HA ARG 8 16.372 3.566 -6.416 43 1HB ARG 8 2HB ARG 8 16.844 5.530 -7.885 44 2HB ARG 8 1HB ARG 8 16.159 4.200 -8.777 45 1HG ARG 8 2HG ARG 8 13.942 5.764 -7.819 46 2HG ARG 8 1HG ARG 8 15.117 6.884 -8.444 47 1HD ARG 8 2HD ARG 8 14.634 4.495 -10.192 48 2HD ARG 8 1HD ARG 8 13.275 5.591 -10.012 49 HE ARG 8 HE ARG 8 15.987 6.478 -10.925 50 1HH1 ARG 8 1HH2 ARG 8 13.731 8.358 -9.978 51 2HH1 ARG 8 2HH2 ARG 8 13.095 8.881 -11.502 52 1HH2 ARG 8 2HH1 ARG 8 14.713 6.332 -13.281 53 2HH2 ARG 8 1HH1 ARG 8 13.665 7.704 -13.421 54 H CYS 9 H CYS 9 17.038 6.133 -6.101 55 HA CYS 9 HA CYS 9 15.206 7.244 -4.093 56 1HB CYS 9 2HB CYS 9 16.787 7.308 -2.415 57 2HB CYS 9 1HB CYS 9 17.225 5.835 -3.208 58 HA HYP 10 HA HYP 10 15.223 8.789 -2.777 59 1HB HYP 10 1HB HYP 10 15.319 10.745 -1.691 60 2HB HYP 10 2HB HYP 10 13.943 11.315 -2.605 61 1HD HYP 10 1HD1 HYP 10 17.522 11.145 -4.756 62 2HD HYP 10 2HD1 HYP 10 16.008 11.432 -5.624 63 HOD HYP 10 HD2 HYP 10 17.492 11.234 -2.589 64 HG HYP 10 HG HYP 10 15.457 12.810 -3.765 65 HA HYP 11 HA HYP 11 12.633 10.041 -1.500 66 1HB HYP 11 1HB HYP 11 10.635 9.255 -0.865 67 2HB HYP 11 2HB HYP 11 11.266 7.615 -0.835 68 1HD HYP 11 1HD1 HYP 11 10.737 9.635 -4.307 69 2HD HYP 11 2HD1 HYP 11 11.292 8.007 -4.728 70 HOD HYP 11 HD2 HYP 11 8.850 8.586 -1.761 71 HG HYP 11 HG HYP 11 10.222 7.071 -2.836 72 H GLN 12 H GLN 12 14.219 9.647 -0.105 73 HA GLN 12 HA GLN 12 16.315 7.889 -0.493 74 1HB GLN 12 2HB GLN 12 15.172 9.111 2.048 75 2HB GLN 12 1HB GLN 12 16.609 8.109 2.113 76 1HG GLN 12 2HG GLN 12 16.308 10.600 0.362 77 2HG GLN 12 1HG GLN 12 17.172 10.546 1.890 78 1HE2 GLN 12 2HE2 GLN 12 19.245 9.637 -1.328 79 2HE2 GLN 12 1HE2 GLN 12 17.871 10.616 -1.322 80 H CYS 13 H CYS 13 16.610 5.757 -0.290 81 HA CYS 13 HA CYS 13 14.477 3.968 0.028 82 1HB CYS 13 2HB CYS 13 17.181 3.050 0.894 83 2HB CYS 13 1HB CYS 13 16.004 2.294 -0.128 84 H CYS 14 H CYS 14 13.590 2.931 1.587 85 HA CYS 14 HA CYS 14 13.363 3.923 4.184 86 1HB CYS 14 2HB CYS 14 12.843 1.094 3.253 87 2HB CYS 14 1HB CYS 14 12.133 1.842 4.651 88 H MET 15 H MET 15 13.764 2.736 6.228 89 HA MET 15 HA MET 15 16.506 2.401 6.719 90 1HB MET 15 2HB MET 15 14.619 2.865 8.410 91 2HB MET 15 1HB MET 15 14.270 1.149 8.376 92 1HG MET 15 2HG MET 15 16.808 0.846 8.934 93 2HG MET 15 1HG MET 15 16.783 2.544 9.311 94 1HE MET 15 3HE MET 15 14.777 -0.752 10.056 95 2HE MET 15 2HE MET 15 16.478 -0.943 10.548 96 3HE MET 15 1HE MET 15 15.201 -0.923 11.750 97 H GLY 16 H GLY 16 17.851 0.817 6.385 98 1HA GLY 16 2HA GLY 16 18.487 -1.528 6.579 99 2HA GLY 16 1HA GLY 16 16.890 -1.954 5.980 100 H LEU 17 H LEU 17 16.932 0.194 3.955 101 HA LEU 17 HA LEU 17 18.440 -1.244 1.929 102 1HB LEU 17 2HB LEU 17 16.590 1.152 1.702 103 2HB LEU 17 1HB LEU 17 17.248 0.313 0.323 104 HG LEU 17 HG LEU 17 15.142 -0.593 2.305 105 1HD1 LEU 17 1HD1 LEU 17 14.459 0.754 0.355 106 2HD1 LEU 17 3HD1 LEU 17 15.111 -0.483 -0.710 107 3HD1 LEU 17 2HD1 LEU 17 13.764 -0.854 0.358 108 1HD2 LEU 17 1HD2 LEU 17 16.697 -2.558 1.924 109 2HD2 LEU 17 3HD2 LEU 17 15.098 -2.811 1.249 110 3HD2 LEU 17 2HD2 LEU 17 16.427 -2.373 0.194 111 H ARG 18 H ARG 18 19.439 -0.005 0.221 112 HA ARG 18 HA ARG 18 20.890 2.460 0.951 113 1HB ARG 18 2HB ARG 18 22.805 0.970 -0.447 114 2HB ARG 18 1HB ARG 18 22.778 1.271 1.277 115 1HG ARG 18 2HG ARG 18 21.905 -0.779 1.799 116 2HG ARG 18 1HG ARG 18 21.256 -1.098 0.218 117 1HD ARG 18 2HD ARG 18 23.213 -2.491 0.333 118 2HD ARG 18 1HD ARG 18 23.701 -1.118 -0.653 119 HE ARG 18 HE ARG 18 24.307 -0.335 1.932 120 1HH1 ARG 18 1HH2 ARG 18 26.016 -1.399 -0.541 121 2HH1 ARG 18 2HH2 ARG 18 27.134 -2.409 0.318 122 1HH2 ARG 18 2HH1 ARG 18 25.260 -2.308 3.277 123 2HH2 ARG 18 1HH1 ARG 18 26.693 -2.936 2.532 124 H CYS 19 H CYS 19 21.179 3.706 -0.742 125 HA CYS 19 HA CYS 19 19.610 3.259 -3.142 126 1HB CYS 19 2HB CYS 19 20.058 5.458 -1.956 127 2HB CYS 19 1HB CYS 19 21.641 5.453 -2.671 128 H GLY 20 H GLY 20 20.391 1.589 -4.407 129 1HA GLY 20 2HA GLY 20 23.222 1.381 -5.124 130 2HA GLY 20 1HA GLY 20 21.904 0.386 -5.743 131 H ARG 21 H ARG 21 23.813 3.196 -6.293 132 HA ARG 21 HA ARG 21 22.226 4.405 -8.328 133 1HB ARG 21 2HB ARG 21 24.205 5.453 -7.068 134 2HB ARG 21 1HB ARG 21 25.262 4.523 -8.109 135 1HG ARG 21 2HG ARG 21 23.653 5.667 -10.015 136 2HG ARG 21 1HG ARG 21 23.489 6.872 -8.758 137 1HD ARG 21 2HD ARG 21 26.304 6.248 -8.950 138 2HD ARG 21 1HD ARG 21 25.696 6.454 -10.585 139 HE ARG 21 HE ARG 21 24.913 8.699 -9.949 140 1HH1 ARG 21 2HH1 ARG 21 24.886 8.162 -6.981 141 2HH1 ARG 21 1HH1 ARG 21 26.273 9.053 -6.446 142 1HH2 ARG 21 1HH2 ARG 21 27.583 9.336 -9.684 143 2HH2 ARG 21 2HH2 ARG 21 27.840 9.735 -8.018 144 H GLY 22 H GLY 22 21.696 3.470 -10.159 145 1HA GLY 22 2HA GLY 22 23.713 2.002 -11.777 146 2HA GLY 22 1HA GLY 22 22.212 1.170 -11.367 147 H ASN 23 H ASN 23 21.365 1.060 -13.401 148 HA ASN 23 HA ASN 23 20.150 3.493 -14.449 149 1HB ASN 23 2HB ASN 23 22.544 3.434 -15.389 150 2HB ASN 23 1HB ASN 23 22.062 2.023 -16.314 151 1HD2 ASN 23 2HD2 ASN 23 20.538 5.711 -17.261 152 2HD2 ASN 23 1HD2 ASN 23 21.258 5.451 -15.744 153 HA PRO 24 HA PRO 24 18.198 3.682 -14.198 154 1HB PRO 24 2HB PRO 24 15.812 2.744 -13.188 155 2HB PRO 24 1HB PRO 24 16.019 3.532 -14.746 156 1HG PRO 24 2HG PRO 24 15.571 0.648 -14.178 157 2HG PRO 24 1HG PRO 24 15.258 1.542 -15.659 158 1HD PRO 24 2HD PRO 24 17.475 -0.203 -15.167 159 2HD PRO 24 1HD PRO 24 17.298 0.886 -16.552 160 H GLN 25 H GLN 25 18.773 4.210 -12.173 161 HA GLN 25 HA GLN 25 20.022 2.482 -10.351 162 1HB GLN 25 2HB GLN 25 18.494 4.866 -9.283 163 2HB GLN 25 1HB GLN 25 20.052 4.260 -8.792 164 1HG GLN 25 2HG GLN 25 21.059 5.781 -10.124 165 2HG GLN 25 1HG GLN 25 20.366 5.024 -11.540 166 1HE2 GLN 25 2HE2 GLN 25 19.271 8.668 -11.019 167 2HE2 GLN 25 1HE2 GLN 25 20.785 7.950 -10.755 168 H LYS 26 H LYS 26 19.390 1.735 -8.246 169 HA LYS 26 HA LYS 26 16.578 1.574 -7.519 170 1HB LYS 26 2HB LYS 26 17.853 -0.579 -9.088 171 2HB LYS 26 1HB LYS 26 17.178 -1.187 -7.593 172 1HG LYS 26 2HG LYS 26 15.012 -0.075 -8.139 173 2HG LYS 26 1HG LYS 26 15.656 0.423 -9.684 174 1HD LYS 26 2HD LYS 26 15.607 -2.496 -8.805 175 2HD LYS 26 1HD LYS 26 14.291 -1.762 -9.696 176 1HE LYS 26 2HE LYS 26 17.177 -2.028 -10.658 177 2HE LYS 26 1HE LYS 26 15.776 -2.883 -11.282 178 1HZ LYS 26 1HZ LYS 26 15.035 -0.305 -11.483 179 2HZ LYS 26 3HZ LYS 26 16.690 -0.234 -11.849 180 3HZ LYS 26 2HZ LYS 26 15.669 -1.256 -12.739 181 H CYS 27 H CYS 27 16.263 1.097 -5.361 182 HA CYS 27 HA CYS 27 18.595 1.030 -3.692 183 1HB CYS 27 2HB CYS 27 15.689 0.605 -2.815 184 2HB CYS 27 1HB CYS 27 17.066 0.975 -1.845 185 H ILE 28 H ILE 28 19.315 -0.611 -2.475 186 HA ILE 28 HA ILE 28 18.198 -3.366 -2.817 187 HB ILE 28 HB ILE 28 20.604 -4.133 -2.699 188 1HG1 ILE 28 2HG1 ILE 28 21.214 -1.707 -1.694 189 2HG1 ILE 28 1HG1 ILE 28 22.388 -2.688 -2.506 190 1HG2 ILE 28 2HG2 ILE 28 19.793 -2.387 -5.054 191 2HG2 ILE 28 1HG2 ILE 28 21.194 -3.450 -5.068 192 3HG2 ILE 28 3HG2 ILE 28 19.587 -4.119 -4.869 193 1HD1 ILE 28 2HD1 ILE 28 20.762 -0.644 -3.997 194 2HD1 ILE 28 1HD1 ILE 28 22.238 -0.230 -3.132 195 3HD1 ILE 28 3HD1 ILE 28 22.291 -1.389 -4.453 196 H GLY 29 H GLY 29 19.833 -4.565 -0.930 197 1HA GLY 29 2HA GLY 29 19.118 -3.090 1.537 198 2HA GLY 29 1HA GLY 29 19.123 -4.818 1.431 199 H ALA 30 H ALA 30 20.554 -2.712 3.069 200 HA ALA 30 HA ALA 30 23.399 -3.049 2.509 201 1HB ALA 30 3HB ALA 30 21.743 -1.632 4.598 202 2HB ALA 30 2HB ALA 30 23.408 -2.005 5.005 203 3HB ALA 30 1HB ALA 30 23.054 -0.994 3.620 204 H HIS 31 H HIS 31 21.011 -4.264 4.704 205 HA HIS 31 HA HIS 31 22.882 -6.084 6.081 206 1HB HIS 31 2HB HIS 31 19.974 -5.273 6.395 207 2HB HIS 31 1HB HIS 31 20.517 -6.758 7.163 208 HD1 HIS 31 HD1 HIS 31 21.424 -3.120 7.150 209 HD2 HIS 31 HD2 HIS 31 21.919 -6.415 9.512 210 HE1 HIS 31 HE1 HIS 31 22.454 -2.324 9.250 211 1HN CGU 32 HN CGU 32 23.008 -6.605 3.530 212 HA CGU 32 HA CGU 32 21.994 -9.341 3.293 213 1HB CGU 32 1HB CGU 32 21.184 -7.108 1.385 214 2HB CGU 32 2HB CGU 32 20.110 -8.109 2.326 215 HG CGU 32 HG CGU 32 21.863 -9.774 0.650 216 H ASP 33 H ASP 33 24.140 -9.844 3.410 217 HA ASP 33 HA ASP 33 25.964 -8.910 1.248 218 1HB ASP 33 2HB ASP 33 26.575 -8.981 3.815 219 2HB ASP 33 1HB ASP 33 26.703 -10.717 3.604 220 H VAL 34 H VAL 34 23.763 -10.471 0.689 221 HA VAL 34 HA VAL 34 24.838 -13.169 0.021 222 HB VAL 34 HB VAL 34 21.926 -12.241 -0.069 223 1HG1 VAL 34 2HG1 VAL 34 23.197 -15.018 0.032 224 2HG1 VAL 34 1HG1 VAL 34 21.473 -14.689 0.012 225 3HG1 VAL 34 3HG1 VAL 34 22.456 -14.290 -1.384 226 1HG2 VAL 34 3HG2 VAL 34 23.467 -13.565 2.210 227 2HG2 VAL 34 2HG2 VAL 34 22.654 -12.006 2.256 228 3HG2 VAL 34 1HG2 VAL 34 21.715 -13.483 2.140 No H/Q in entry = 228 Start of MODEL 9 1 1H ALA 1 3H ALA 1 9.239 10.659 3.079 2 2H ALA 1 2H ALA 1 7.697 10.308 3.701 3 3H ALA 1 1H ALA 1 9.052 9.443 4.250 4 HA ALA 1 HA ALA 1 7.807 8.088 2.741 5 1HB ALA 1 1HB ALA 1 8.285 10.382 0.784 6 2HB ALA 1 3HB ALA 1 7.598 8.824 0.346 7 3HB ALA 1 2HB ALA 1 6.728 9.893 1.435 8 H CYS 2 H CYS 2 9.084 6.484 2.104 9 HA CYS 2 HA CYS 2 11.843 7.074 1.146 10 1HB CYS 2 2HB CYS 2 12.448 4.955 2.259 11 2HB CYS 2 1HB CYS 2 11.951 6.139 3.416 12 H SER 3 H SER 3 12.748 4.977 0.157 13 HA SER 3 HA SER 3 10.786 3.997 -1.889 14 1HB SER 3 2HB SER 3 12.670 5.247 -2.875 15 2HB SER 3 1HB SER 3 13.846 4.212 -2.047 16 HG SER 3 HG SER 3 12.954 2.440 -3.181 17 H GLY 4 H GLY 4 10.620 1.827 -2.279 18 1HA GLY 4 2HA GLY 4 11.573 0.021 -0.131 19 2HA GLY 4 1HA GLY 4 10.379 -0.366 -1.374 20 H ARG 5 H ARG 5 12.114 -2.273 -1.061 21 HA ARG 5 HA ARG 5 14.548 -1.963 -2.602 22 1HB ARG 5 2HB ARG 5 14.201 -3.643 -0.712 23 2HB ARG 5 1HB ARG 5 13.144 -4.555 -1.766 24 1HG ARG 5 2HG ARG 5 14.893 -5.187 -3.220 25 2HG ARG 5 1HG ARG 5 15.903 -3.832 -2.771 26 1HD ARG 5 2HD ARG 5 16.968 -5.631 -1.682 27 2HD ARG 5 1HD ARG 5 15.959 -5.007 -0.382 28 HE ARG 5 HE ARG 5 14.292 -6.822 -1.571 29 1HH1 ARG 5 2HH1 ARG 5 17.254 -7.754 -2.280 30 2HH1 ARG 5 1HH1 ARG 5 17.394 -9.067 -1.158 31 1HH2 ARG 5 1HH2 ARG 5 14.546 -8.106 0.639 32 2HH2 ARG 5 2HH2 ARG 5 15.827 -9.269 0.535 33 H GLY 6 H GLY 6 13.735 -1.097 -4.499 34 1HA GLY 6 2HA GLY 6 13.572 -2.625 -6.763 35 2HA GLY 6 1HA GLY 6 11.889 -2.546 -6.243 36 H SER 7 H SER 7 13.230 0.203 -5.135 37 HA SER 7 HA SER 7 12.919 1.778 -7.648 38 1HB SER 7 2HB SER 7 11.360 2.061 -5.037 39 2HB SER 7 1HB SER 7 11.605 3.469 -6.090 40 HG SER 7 HG SER 7 10.609 0.933 -6.877 41 H ARG 8 H ARG 8 14.116 3.736 -7.608 42 HA ARG 8 HA ARG 8 16.468 3.626 -5.868 43 1HB ARG 8 2HB ARG 8 17.318 5.374 -7.365 44 2HB ARG 8 1HB ARG 8 16.683 4.018 -8.254 45 1HG ARG 8 2HG ARG 8 14.560 5.999 -7.759 46 2HG ARG 8 1HG ARG 8 15.939 6.744 -8.519 47 1HD ARG 8 2HD ARG 8 15.836 4.758 -10.224 48 2HD ARG 8 1HD ARG 8 14.225 4.480 -9.573 49 HE ARG 8 HE ARG 8 15.126 6.943 -10.994 50 1HH1 ARG 8 2HH1 ARG 8 12.966 7.308 -8.873 51 2HH1 ARG 8 1HH1 ARG 8 11.536 7.177 -9.836 52 1HH2 ARG 8 1HH2 ARG 8 13.212 5.756 -12.553 53 2HH2 ARG 8 2HH2 ARG 8 11.672 6.283 -11.961 54 H CYS 9 H CYS 9 17.314 6.053 -5.567 55 HA CYS 9 HA CYS 9 15.398 7.330 -3.743 56 1HB CYS 9 2HB CYS 9 17.251 8.040 -2.416 57 2HB CYS 9 1HB CYS 9 17.419 6.337 -2.715 58 HA HYP 10 HA HYP 10 15.097 9.086 -2.765 59 1HB HYP 10 1HB HYP 10 14.776 11.224 -2.140 60 2HB HYP 10 2HB HYP 10 13.356 11.283 -3.160 61 1HD HYP 10 1HD1 HYP 10 17.005 11.368 -5.177 62 2HD HYP 10 2HD1 HYP 10 15.534 11.179 -6.142 63 HOD HYP 10 HD2 HYP 10 16.709 11.970 -2.946 64 HG HYP 10 HG HYP 10 14.572 12.740 -4.654 65 HA HYP 11 HA HYP 11 12.639 9.955 -1.704 66 1HB HYP 11 1HB HYP 11 10.527 9.401 -1.101 67 2HB HYP 11 2HB HYP 11 11.128 7.838 -0.592 68 1HD HYP 11 1HD1 HYP 11 10.742 8.672 -4.595 69 2HD HYP 11 2HD1 HYP 11 11.452 7.074 -4.327 70 HOD HYP 11 HD2 HYP 11 8.498 8.253 -2.223 71 HG HYP 11 HG HYP 11 10.113 6.786 -2.417 72 H GLN 12 H GLN 12 14.214 9.636 -0.222 73 HA GLN 12 HA GLN 12 16.330 7.918 -0.414 74 1HB GLN 12 2HB GLN 12 16.165 9.801 1.216 75 2HB GLN 12 1HB GLN 12 15.074 8.853 2.209 76 1HG GLN 12 2HG GLN 12 16.832 7.194 2.659 77 2HG GLN 12 1HG GLN 12 17.914 7.965 1.509 78 1HE2 GLN 12 2HE2 GLN 12 19.055 10.351 3.824 79 2HE2 GLN 12 1HE2 GLN 12 19.189 9.681 2.269 80 H CYS 13 H CYS 13 16.596 5.755 -0.321 81 HA CYS 13 HA CYS 13 14.557 3.909 0.020 82 1HB CYS 13 2HB CYS 13 17.223 3.029 1.013 83 2HB CYS 13 1HB CYS 13 16.117 2.297 -0.101 84 H CYS 14 H CYS 14 13.671 2.809 1.548 85 HA CYS 14 HA CYS 14 13.353 3.830 4.151 86 1HB CYS 14 2HB CYS 14 12.774 1.019 3.195 87 2HB CYS 14 1HB CYS 14 12.025 1.820 4.546 88 H MET 15 H MET 15 13.525 2.418 6.131 89 HA MET 15 HA MET 15 16.192 2.160 6.905 90 1HB MET 15 2HB MET 15 14.100 2.327 8.385 91 2HB MET 15 1HB MET 15 13.862 0.613 8.124 92 1HG MET 15 2HG MET 15 16.558 0.806 8.893 93 2HG MET 15 1HG MET 15 15.763 1.997 9.875 94 1HE MET 15 1HE MET 15 13.403 1.322 11.110 95 2HE MET 15 3HE MET 15 13.722 0.145 12.366 96 3HE MET 15 2HE MET 15 14.836 1.488 12.156 97 H GLY 16 H GLY 16 17.683 0.711 6.616 98 1HA GLY 16 2HA GLY 16 18.575 -1.504 6.584 99 2HA GLY 16 1HA GLY 16 17.031 -2.092 5.995 100 H LEU 17 H LEU 17 16.965 0.218 4.012 101 HA LEU 17 HA LEU 17 18.572 -1.134 1.976 102 1HB LEU 17 2HB LEU 17 16.316 0.867 1.832 103 2HB LEU 17 1HB LEU 17 17.329 0.581 0.441 104 HG LEU 17 HG LEU 17 16.654 -2.014 1.353 105 1HD1 LEU 17 3HD1 LEU 17 14.221 -0.204 1.154 106 2HD1 LEU 17 2HD1 LEU 17 14.185 -1.958 1.250 107 3HD1 LEU 17 1HD1 LEU 17 14.770 -1.015 2.619 108 1HD2 LEU 17 2HD2 LEU 17 16.882 -0.813 -1.047 109 2HD2 LEU 17 1HD2 LEU 17 16.036 -2.321 -0.824 110 3HD2 LEU 17 3HD2 LEU 17 15.143 -0.805 -0.918 111 H ARG 18 H ARG 18 19.494 0.087 0.326 112 HA ARG 18 HA ARG 18 20.773 2.676 0.941 113 1HB ARG 18 2HB ARG 18 22.858 1.473 -0.214 114 2HB ARG 18 1HB ARG 18 22.618 1.385 1.515 115 1HG ARG 18 2HG ARG 18 21.796 -0.834 1.379 116 2HG ARG 18 1HG ARG 18 21.405 -0.700 -0.315 117 1HD ARG 18 2HD ARG 18 23.401 -2.100 -0.108 118 2HD ARG 18 1HD ARG 18 23.859 -0.578 -0.867 119 HE ARG 18 HE ARG 18 24.210 -0.133 1.851 120 1HH1 ARG 18 1HH2 ARG 18 26.308 -0.387 -0.413 121 2HH1 ARG 18 2HH2 ARG 18 27.391 -1.544 0.288 122 1HH2 ARG 18 2HH1 ARG 18 25.108 -2.492 2.767 123 2HH2 ARG 18 1HH1 ARG 18 26.694 -2.765 2.127 124 H CYS 19 H CYS 19 21.211 3.776 -0.860 125 HA CYS 19 HA CYS 19 19.608 3.198 -3.219 126 1HB CYS 19 2HB CYS 19 20.177 5.469 -2.140 127 2HB CYS 19 1HB CYS 19 21.676 5.394 -3.014 128 H GLY 20 H GLY 20 20.391 1.373 -4.274 129 1HA GLY 20 2HA GLY 20 23.166 0.992 -4.993 130 2HA GLY 20 1HA GLY 20 21.789 0.092 -5.629 131 H ARG 21 H ARG 21 23.944 2.695 -6.216 132 HA ARG 21 HA ARG 21 22.540 4.092 -8.220 133 1HB ARG 21 2HB ARG 21 24.899 4.513 -7.011 134 2HB ARG 21 1HB ARG 21 25.527 3.742 -8.453 135 1HG ARG 21 2HG ARG 21 23.932 5.459 -9.725 136 2HG ARG 21 1HG ARG 21 23.948 6.320 -8.199 137 1HD ARG 21 2HD ARG 21 25.754 7.253 -9.480 138 2HD ARG 21 1HD ARG 21 26.538 6.173 -8.330 139 HE ARG 21 HE ARG 21 25.848 4.886 -10.867 140 1HH1 ARG 21 1HH2 ARG 21 28.112 3.862 -9.486 141 2HH1 ARG 21 2HH2 ARG 21 29.479 4.618 -10.236 142 1HH2 ARG 21 2HH1 ARG 21 27.535 7.149 -11.681 143 2HH2 ARG 21 1HH1 ARG 21 29.143 6.527 -11.512 144 H GLY 22 H GLY 22 22.619 3.993 -10.453 145 1HA GLY 22 2HA GLY 22 23.970 2.240 -12.147 146 2HA GLY 22 1HA GLY 22 22.536 1.353 -11.616 147 H ASN 23 H ASN 23 21.786 1.403 -13.792 148 HA ASN 23 HA ASN 23 20.201 3.801 -14.384 149 1HB ASN 23 2HB ASN 23 22.556 4.041 -15.458 150 2HB ASN 23 1HB ASN 23 22.033 2.809 -16.592 151 1HD2 ASN 23 2HD2 ASN 23 20.742 6.590 -17.033 152 2HD2 ASN 23 1HD2 ASN 23 21.926 6.150 -15.897 153 HA PRO 24 HA PRO 24 18.241 3.880 -14.197 154 1HB PRO 24 2HB PRO 24 15.925 2.656 -13.297 155 2HB PRO 24 1HB PRO 24 16.072 3.677 -14.718 156 1HG PRO 24 2HG PRO 24 15.736 0.743 -14.599 157 2HG PRO 24 1HG PRO 24 15.481 1.827 -15.960 158 1HD PRO 24 2HD PRO 24 17.731 0.083 -15.552 159 2HD PRO 24 1HD PRO 24 17.550 1.291 -16.834 160 H GLN 25 H GLN 25 19.015 4.206 -12.196 161 HA GLN 25 HA GLN 25 20.134 2.210 -10.541 162 1HB GLN 25 2HB GLN 25 20.061 4.012 -8.729 163 2HB GLN 25 1HB GLN 25 20.884 4.444 -10.214 164 1HG GLN 25 2HG GLN 25 19.035 5.675 -11.034 165 2HG GLN 25 1HG GLN 25 17.978 5.077 -9.768 166 1HE2 GLN 25 2HE2 GLN 25 19.767 7.135 -7.244 167 2HE2 GLN 25 1HE2 GLN 25 19.347 5.500 -7.431 168 H LYS 26 H LYS 26 19.460 1.618 -8.319 169 HA LYS 26 HA LYS 26 16.661 1.820 -7.549 170 1HB LYS 26 2HB LYS 26 17.630 -0.516 -9.076 171 2HB LYS 26 1HB LYS 26 16.943 -0.997 -7.541 172 1HG LYS 26 2HG LYS 26 14.861 0.073 -8.002 173 2HG LYS 26 1HG LYS 26 15.464 0.871 -9.431 174 1HD LYS 26 2HD LYS 26 15.628 -2.151 -9.314 175 2HD LYS 26 1HD LYS 26 14.066 -1.421 -9.603 176 1HE LYS 26 2HE LYS 26 14.885 -1.688 -11.790 177 2HE LYS 26 1HE LYS 26 15.317 -0.019 -11.465 178 1HZ LYS 26 2HZ LYS 26 17.355 -1.739 -10.543 179 2HZ LYS 26 1HZ LYS 26 16.990 -2.091 -12.165 180 3HZ LYS 26 3HZ LYS 26 17.420 -0.512 -11.716 181 H CYS 27 H CYS 27 16.284 1.174 -5.367 182 HA CYS 27 HA CYS 27 18.683 1.057 -3.763 183 1HB CYS 27 2HB CYS 27 15.800 0.814 -2.802 184 2HB CYS 27 1HB CYS 27 17.220 1.095 -1.873 185 H ILE 28 H ILE 28 19.249 -0.609 -2.419 186 HA ILE 28 HA ILE 28 17.896 -3.243 -2.678 187 HB ILE 28 HB ILE 28 20.120 -4.309 -2.843 188 1HG1 ILE 28 2HG1 ILE 28 21.255 -2.275 -1.610 189 2HG1 ILE 28 1HG1 ILE 28 22.124 -3.196 -2.765 190 1HG2 ILE 28 1HG2 ILE 28 19.607 -2.249 -5.025 191 2HG2 ILE 28 3HG2 ILE 28 20.789 -3.542 -5.154 192 3HG2 ILE 28 2HG2 ILE 28 19.087 -3.923 -4.981 193 1HD1 ILE 28 3HD1 ILE 28 20.715 -0.781 -3.791 194 2HD1 ILE 28 2HD1 ILE 28 22.140 -0.562 -2.794 195 3HD1 ILE 28 1HD1 ILE 28 22.243 -1.505 -4.274 196 H GLY 29 H GLY 29 19.306 -4.624 -0.881 197 1HA GLY 29 2HA GLY 29 18.969 -3.018 1.558 198 2HA GLY 29 1HA GLY 29 18.973 -4.741 1.511 199 H ALA 30 H ALA 30 20.528 -2.665 2.979 200 HA ALA 30 HA ALA 30 23.319 -2.971 2.136 201 1HB ALA 30 3HB ALA 30 21.950 -1.053 3.639 202 2HB ALA 30 2HB ALA 30 22.782 -1.955 4.889 203 3HB ALA 30 1HB ALA 30 23.696 -1.206 3.594 204 H HIS 31 H HIS 31 21.163 -3.985 4.647 205 HA HIS 31 HA HIS 31 23.069 -5.969 5.760 206 1HB HIS 31 2HB HIS 31 21.202 -4.293 6.965 207 2HB HIS 31 1HB HIS 31 20.285 -5.784 6.886 208 HD1 HIS 31 HD1 HIS 31 22.495 -4.184 9.060 209 HD2 HIS 31 HD2 HIS 31 22.124 -8.079 7.896 210 HE1 HIS 31 HE1 HIS 31 23.640 -5.534 10.778 211 1HN CGU 32 HN CGU 32 22.256 -6.333 3.169 212 HA CGU 32 HA CGU 32 20.315 -8.581 3.116 213 1HB CGU 32 1HB CGU 32 21.579 -7.123 0.787 214 2HB CGU 32 2HB CGU 32 20.264 -6.405 1.669 215 HG CGU 32 HG CGU 32 19.951 -9.217 0.677 216 H ASP 33 H ASP 33 21.892 -8.975 0.565 217 HA ASP 33 HA ASP 33 24.242 -10.491 1.583 218 1HB ASP 33 2HB ASP 33 22.017 -11.906 1.206 219 2HB ASP 33 1HB ASP 33 22.378 -11.723 -0.499 220 H VAL 34 H VAL 34 23.926 -8.022 0.228 221 HA VAL 34 HA VAL 34 24.849 -8.427 -2.538 222 HB VAL 34 HB VAL 34 24.552 -5.853 -0.905 223 1HG1 VAL 34 1HG1 VAL 34 24.962 -6.347 -3.890 224 2HG1 VAL 34 3HG1 VAL 34 24.513 -4.792 -3.210 225 3HG1 VAL 34 2HG1 VAL 34 26.062 -5.507 -2.809 226 1HG2 VAL 34 3HG2 VAL 34 22.662 -7.227 -2.870 227 2HG2 VAL 34 2HG2 VAL 34 22.383 -6.949 -1.161 228 3HG2 VAL 34 1HG2 VAL 34 22.437 -5.593 -2.268 No H/Q in entry = 228 Start of MODEL 10 1 1H ALA 1 2H ALA 1 8.529 10.554 1.137 2 2H ALA 1 1H ALA 1 7.447 10.858 2.412 3 3H ALA 1 3H ALA 1 9.121 11.031 2.657 4 HA ALA 1 HA ALA 1 8.513 8.994 3.641 5 1HB ALA 1 3HB ALA 1 6.345 8.829 2.287 6 2HB ALA 1 2HB ALA 1 7.301 8.200 0.955 7 3HB ALA 1 1HB ALA 1 7.200 7.306 2.465 8 H CYS 2 H CYS 2 9.136 6.615 2.490 9 HA CYS 2 HA CYS 2 11.777 7.103 1.200 10 1HB CYS 2 2HB CYS 2 12.428 4.990 2.306 11 2HB CYS 2 1HB CYS 2 12.007 6.185 3.484 12 H SER 3 H SER 3 12.529 4.921 0.231 13 HA SER 3 HA SER 3 10.391 3.902 -1.612 14 1HB SER 3 2HB SER 3 13.046 5.042 -2.141 15 2HB SER 3 1HB SER 3 12.896 3.452 -2.868 16 HG SER 3 HG SER 3 11.137 5.658 -3.128 17 H GLY 4 H GLY 4 10.395 1.726 -2.117 18 1HA GLY 4 2HA GLY 4 11.627 -0.043 -0.079 19 2HA GLY 4 1HA GLY 4 10.340 -0.480 -1.197 20 H ARG 5 H ARG 5 12.253 -2.265 -0.955 21 HA ARG 5 HA ARG 5 14.527 -1.955 -2.658 22 1HB ARG 5 2HB ARG 5 14.193 -3.696 -0.802 23 2HB ARG 5 1HB ARG 5 13.194 -4.596 -1.926 24 1HG ARG 5 2HG ARG 5 15.047 -4.825 -3.503 25 2HG ARG 5 1HG ARG 5 16.025 -3.698 -2.593 26 1HD ARG 5 2HD ARG 5 16.759 -5.998 -2.093 27 2HD ARG 5 1HD ARG 5 16.017 -5.316 -0.649 28 HE ARG 5 HE ARG 5 14.119 -6.726 -0.980 29 1HH1 ARG 5 2HH1 ARG 5 13.529 -6.701 -3.750 30 2HH1 ARG 5 1HH1 ARG 5 14.125 -8.210 -4.358 31 1HH2 ARG 5 1HH2 ARG 5 16.207 -8.724 -1.582 32 2HH2 ARG 5 2HH2 ARG 5 15.675 -9.399 -3.084 33 H GLY 6 H GLY 6 13.745 -1.080 -4.525 34 1HA GLY 6 2HA GLY 6 13.523 -2.568 -6.812 35 2HA GLY 6 1HA GLY 6 11.846 -2.421 -6.295 36 H SER 7 H SER 7 13.118 0.251 -5.084 37 HA SER 7 HA SER 7 12.967 1.890 -7.574 38 1HB SER 7 2HB SER 7 11.594 3.560 -6.219 39 2HB SER 7 1HB SER 7 10.751 2.020 -6.430 40 HG SER 7 HG SER 7 12.087 1.535 -4.338 41 H ARG 8 H ARG 8 14.382 3.555 -7.625 42 HA ARG 8 HA ARG 8 16.623 3.517 -5.790 43 1HB ARG 8 2HB ARG 8 17.504 5.296 -7.312 44 2HB ARG 8 1HB ARG 8 16.929 3.896 -8.170 45 1HG ARG 8 2HG ARG 8 14.704 5.760 -7.819 46 2HG ARG 8 1HG ARG 8 16.071 6.607 -8.496 47 1HD ARG 8 2HD ARG 8 16.237 4.898 -10.305 48 2HD ARG 8 1HD ARG 8 14.848 4.052 -9.621 49 HE ARG 8 HE ARG 8 13.806 6.522 -9.949 50 1HH1 ARG 8 1HH2 ARG 8 15.783 7.391 -11.856 51 2HH1 ARG 8 2HH2 ARG 8 15.196 6.812 -13.381 52 1HH2 ARG 8 2HH1 ARG 8 13.012 4.515 -11.888 53 2HH2 ARG 8 1HH1 ARG 8 13.586 5.142 -13.399 54 H CYS 9 H CYS 9 17.409 6.075 -5.605 55 HA CYS 9 HA CYS 9 15.431 7.307 -3.811 56 1HB CYS 9 2HB CYS 9 17.205 8.008 -2.390 57 2HB CYS 9 1HB CYS 9 17.451 6.322 -2.727 58 HA HYP 10 HA HYP 10 15.148 9.051 -2.805 59 1HB HYP 10 1HB HYP 10 14.865 11.157 -2.134 60 2HB HYP 10 2HB HYP 10 13.431 11.255 -3.133 61 1HD HYP 10 1HD1 HYP 10 17.081 11.360 -5.159 62 2HD HYP 10 2HD1 HYP 10 15.621 11.194 -6.142 63 HOD HYP 10 HD2 HYP 10 15.943 13.525 -3.169 64 HG HYP 10 HG HYP 10 14.636 12.720 -4.639 65 HA HYP 11 HA HYP 11 12.623 9.954 -1.722 66 1HB HYP 11 1HB HYP 11 10.627 9.246 -0.944 67 2HB HYP 11 2HB HYP 11 11.243 7.614 -0.764 68 1HD HYP 11 1HD1 HYP 11 10.786 8.806 -4.663 69 2HD HYP 11 2HD1 HYP 11 11.415 7.175 -4.404 70 HOD HYP 11 HD2 HYP 11 9.695 9.779 -2.989 71 HG HYP 11 HG HYP 11 9.911 6.974 -2.580 72 H GLN 12 H GLN 12 14.048 9.579 -0.034 73 HA GLN 12 HA GLN 12 16.297 7.983 -0.340 74 1HB GLN 12 2HB GLN 12 15.987 9.798 1.380 75 2HB GLN 12 1HB GLN 12 14.968 8.718 2.303 76 1HG GLN 12 2HG GLN 12 17.358 7.222 1.838 77 2HG GLN 12 1HG GLN 12 17.907 8.853 2.176 78 1HE2 GLN 12 2HE2 GLN 12 17.058 8.711 5.591 79 2HE2 GLN 12 1HE2 GLN 12 17.681 9.646 4.318 80 H CYS 13 H CYS 13 16.651 5.771 -0.216 81 HA CYS 13 HA CYS 13 14.540 3.940 0.004 82 1HB CYS 13 2HB CYS 13 17.188 2.992 0.994 83 2HB CYS 13 1HB CYS 13 16.074 2.298 -0.133 84 H CYS 14 H CYS 14 13.632 2.816 1.540 85 HA CYS 14 HA CYS 14 13.351 3.823 4.150 86 1HB CYS 14 2HB CYS 14 12.740 1.047 3.117 87 2HB CYS 14 1HB CYS 14 12.055 1.756 4.550 88 H MET 15 H MET 15 13.586 2.474 6.137 89 HA MET 15 HA MET 15 16.268 2.157 6.827 90 1HB MET 15 2HB MET 15 14.264 2.396 8.396 91 2HB MET 15 1HB MET 15 13.929 0.695 8.141 92 1HG MET 15 2HG MET 15 16.209 0.145 8.980 93 2HG MET 15 1HG MET 15 16.517 1.837 9.245 94 1HE MET 15 3HE MET 15 14.781 3.278 10.754 95 2HE MET 15 2HE MET 15 14.825 2.754 12.423 96 3HE MET 15 1HE MET 15 16.336 2.907 11.536 97 H GLY 16 H GLY 16 17.717 0.647 6.560 98 1HA GLY 16 2HA GLY 16 18.516 -1.614 6.537 99 2HA GLY 16 1HA GLY 16 16.955 -2.126 5.917 100 H LEU 17 H LEU 17 16.920 0.145 3.971 101 HA LEU 17 HA LEU 17 18.557 -1.161 1.930 102 1HB LEU 17 2HB LEU 17 16.274 0.815 1.798 103 2HB LEU 17 1HB LEU 17 17.295 0.557 0.408 104 HG LEU 17 HG LEU 17 16.653 -2.055 1.291 105 1HD1 LEU 17 3HD1 LEU 17 14.193 -0.278 1.117 106 2HD1 LEU 17 2HD1 LEU 17 14.185 -2.034 1.198 107 3HD1 LEU 17 1HD1 LEU 17 14.759 -1.095 2.573 108 1HD2 LEU 17 1HD2 LEU 17 16.884 -0.844 -1.086 109 2HD2 LEU 17 3HD2 LEU 17 16.014 -2.340 -0.880 110 3HD2 LEU 17 2HD2 LEU 17 15.142 -0.812 -0.967 111 H ARG 18 H ARG 18 19.473 0.101 0.299 112 HA ARG 18 HA ARG 18 20.706 2.701 0.969 113 1HB ARG 18 2HB ARG 18 22.829 1.580 -0.148 114 2HB ARG 18 1HB ARG 18 22.543 1.383 1.565 115 1HG ARG 18 2HG ARG 18 21.670 -0.838 1.217 116 2HG ARG 18 1HG ARG 18 21.481 -0.574 -0.497 117 1HD ARG 18 2HD ARG 18 24.010 -0.378 -0.691 118 2HD ARG 18 1HD ARG 18 24.115 -0.891 0.994 119 HE ARG 18 HE ARG 18 22.492 -2.793 -0.237 120 1HH1 ARG 18 2HH1 ARG 18 24.258 -2.078 -2.588 121 2HH1 ARG 18 1HH1 ARG 18 25.527 -3.248 -2.435 122 1HH2 ARG 18 1HH2 ARG 18 24.666 -4.044 0.869 123 2HH2 ARG 18 2HH2 ARG 18 25.764 -4.389 -0.427 124 H CYS 19 H CYS 19 21.227 3.817 -0.832 125 HA CYS 19 HA CYS 19 19.614 3.290 -3.196 126 1HB CYS 19 2HB CYS 19 20.204 5.536 -2.096 127 2HB CYS 19 1HB CYS 19 21.719 5.447 -2.939 128 H GLY 20 H GLY 20 20.344 1.497 -4.336 129 1HA GLY 20 2HA GLY 20 23.113 1.036 -5.020 130 2HA GLY 20 1HA GLY 20 21.713 0.236 -5.744 131 H ARG 21 H ARG 21 23.905 2.856 -5.970 132 HA ARG 21 HA ARG 21 22.741 4.457 -7.954 133 1HB ARG 21 2HB ARG 21 24.960 4.671 -6.451 134 2HB ARG 21 1HB ARG 21 25.730 4.068 -7.898 135 1HG ARG 21 2HG ARG 21 25.810 6.387 -8.235 136 2HG ARG 21 1HG ARG 21 24.377 5.957 -9.144 137 1HD ARG 21 2HD ARG 21 22.907 6.759 -7.417 138 2HD ARG 21 1HD ARG 21 24.195 6.803 -6.218 139 HE ARG 21 HE ARG 21 23.680 8.822 -8.287 140 1HH1 ARG 21 1HH2 ARG 21 26.425 8.651 -8.754 141 2HH1 ARG 21 2HH2 ARG 21 27.190 9.513 -7.461 142 1HH2 ARG 21 2HH1 ARG 21 24.342 9.382 -5.424 143 2HH2 ARG 21 1HH1 ARG 21 25.979 9.938 -5.526 144 H GLY 22 H GLY 22 24.238 1.386 -8.253 145 1HA GLY 22 2HA GLY 22 25.173 1.362 -10.910 146 2HA GLY 22 1HA GLY 22 24.513 -0.048 -10.080 147 H ASN 23 H ASN 23 24.210 1.289 -12.868 148 HA ASN 23 HA ASN 23 21.378 1.862 -13.048 149 1HB ASN 23 2HB ASN 23 23.649 1.676 -15.015 150 2HB ASN 23 1HB ASN 23 21.994 1.759 -15.601 151 1HD2 ASN 23 2HD2 ASN 23 23.762 5.099 -14.242 152 2HD2 ASN 23 1HD2 ASN 23 24.604 3.643 -14.471 153 HA PRO 24 HA PRO 24 19.495 1.569 -14.164 154 1HB PRO 24 2HB PRO 24 17.205 0.255 -13.285 155 2HB PRO 24 1HB PRO 24 17.664 0.520 -14.959 156 1HG PRO 24 2HG PRO 24 17.755 -1.997 -13.408 157 2HG PRO 24 1HG PRO 24 17.814 -1.777 -15.152 158 1HD PRO 24 2HD PRO 24 20.032 -2.383 -13.420 159 2HD PRO 24 1HD PRO 24 20.116 -2.000 -15.147 160 H GLN 25 H GLN 25 19.437 2.982 -12.557 161 HA GLN 25 HA GLN 25 20.284 2.559 -9.930 162 1HB GLN 25 2HB GLN 25 18.462 4.695 -11.098 163 2HB GLN 25 1HB GLN 25 19.118 4.788 -9.472 164 1HG GLN 25 2HG GLN 25 21.380 4.894 -10.269 165 2HG GLN 25 1HG GLN 25 20.932 4.388 -11.889 166 1HE2 GLN 25 2HE2 GLN 25 20.310 8.274 -10.748 167 2HE2 GLN 25 1HE2 GLN 25 20.561 7.082 -9.565 168 H LYS 26 H LYS 26 19.440 1.599 -8.284 169 HA LYS 26 HA LYS 26 16.610 1.700 -7.587 170 1HB LYS 26 2HB LYS 26 17.737 -0.628 -9.027 171 2HB LYS 26 1HB LYS 26 16.988 -1.095 -7.519 172 1HG LYS 26 2HG LYS 26 14.901 -0.510 -8.150 173 2HG LYS 26 1HG LYS 26 15.391 0.788 -9.213 174 1HD LYS 26 2HD LYS 26 15.464 -0.577 -11.040 175 2HD LYS 26 1HD LYS 26 16.355 -1.828 -10.195 176 1HE LYS 26 2HE LYS 26 14.143 -2.482 -9.073 177 2HE LYS 26 1HE LYS 26 13.354 -1.413 -10.228 178 1HZ LYS 26 1HZ LYS 26 14.616 -2.711 -11.972 179 2HZ LYS 26 3HZ LYS 26 14.908 -3.858 -10.754 180 3HZ LYS 26 2HZ LYS 26 13.313 -3.491 -11.209 181 H CYS 27 H CYS 27 16.234 1.186 -5.383 182 HA CYS 27 HA CYS 27 18.634 1.120 -3.774 183 1HB CYS 27 2HB CYS 27 15.746 0.827 -2.823 184 2HB CYS 27 1HB CYS 27 17.156 1.101 -1.882 185 H ILE 28 H ILE 28 19.264 -0.557 -2.456 186 HA ILE 28 HA ILE 28 17.962 -3.218 -2.756 187 HB ILE 28 HB ILE 28 20.197 -4.230 -2.939 188 1HG1 ILE 28 2HG1 ILE 28 21.286 -2.237 -1.653 189 2HG1 ILE 28 1HG1 ILE 28 22.177 -3.080 -2.851 190 1HG2 ILE 28 2HG2 ILE 28 19.673 -2.120 -5.073 191 2HG2 ILE 28 1HG2 ILE 28 20.849 -3.415 -5.230 192 3HG2 ILE 28 3HG2 ILE 28 19.144 -3.792 -5.066 193 1HD1 ILE 28 2HD1 ILE 28 20.720 -0.661 -3.789 194 2HD1 ILE 28 1HD1 ILE 28 22.128 -0.440 -2.765 195 3HD1 ILE 28 3HD1 ILE 28 22.274 -1.324 -4.277 196 H GLY 29 H GLY 29 19.397 -4.611 -0.967 197 1HA GLY 29 2HA GLY 29 19.005 -3.050 1.494 198 2HA GLY 29 1HA GLY 29 19.023 -4.770 1.415 199 H ALA 30 H ALA 30 20.544 -2.646 2.907 200 HA ALA 30 HA ALA 30 23.352 -2.912 2.115 201 1HB ALA 30 2HB ALA 30 21.963 -1.683 4.536 202 2HB ALA 30 1HB ALA 30 23.708 -1.671 4.328 203 3HB ALA 30 3HB ALA 30 22.683 -0.820 3.189 204 H HIS 31 H HIS 31 21.208 -3.975 4.643 205 HA HIS 31 HA HIS 31 23.155 -5.941 5.707 206 1HB HIS 31 2HB HIS 31 20.478 -4.821 6.635 207 2HB HIS 31 1HB HIS 31 21.142 -6.257 7.392 208 HD1 HIS 31 HD1 HIS 31 22.375 -5.569 9.424 209 HD2 HIS 31 HD2 HIS 31 22.830 -2.725 6.533 210 HE1 HIS 31 HE1 HIS 31 23.827 -3.828 10.389 211 1HN CGU 32 HN CGU 32 22.173 -6.252 3.120 212 HA CGU 32 HA CGU 32 20.351 -8.606 3.241 213 1HB CGU 32 1HB CGU 32 21.232 -6.789 0.959 214 2HB CGU 32 2HB CGU 32 19.667 -6.753 1.743 215 HG CGU 32 HG CGU 32 20.557 -9.312 0.450 216 H ASP 33 H ASP 33 22.183 -9.657 4.203 217 HA ASP 33 HA ASP 33 24.423 -10.428 2.423 218 1HB ASP 33 2HB ASP 33 24.612 -9.875 4.972 219 2HB ASP 33 1HB ASP 33 23.876 -11.440 5.261 220 H VAL 34 H VAL 34 21.936 -11.098 1.531 221 HA VAL 34 HA VAL 34 22.148 -13.981 1.196 222 HB VAL 34 HB VAL 34 20.828 -13.803 3.312 223 1HG1 VAL 34 1HG1 VAL 34 19.845 -11.506 2.755 224 2HG1 VAL 34 3HG1 VAL 34 18.671 -12.335 1.745 225 3HG1 VAL 34 2HG1 VAL 34 18.727 -12.650 3.469 226 1HG2 VAL 34 2HG2 VAL 34 20.318 -15.613 1.595 227 2HG2 VAL 34 1HG2 VAL 34 19.012 -15.259 2.712 228 3HG2 VAL 34 3HG2 VAL 34 18.952 -14.639 1.070 No H/Q in entry = 228 Start of MODEL 11 1 1H ALA 1 1H ALA 1 7.483 9.456 0.303 2 2H ALA 1 3H ALA 1 6.039 9.504 1.200 3 3H ALA 1 2H ALA 1 7.458 10.185 1.837 4 HA ALA 1 HA ALA 1 7.665 8.272 2.924 5 1HB ALA 1 3HB ALA 1 5.965 7.018 0.715 6 2HB ALA 1 2HB ALA 1 6.532 6.152 2.137 7 3HB ALA 1 1HB ALA 1 5.407 7.488 2.312 8 H CYS 2 H CYS 2 9.323 6.850 2.908 9 HA CYS 2 HA CYS 2 11.425 7.080 1.083 10 1HB CYS 2 2HB CYS 2 12.290 5.012 2.201 11 2HB CYS 2 1HB CYS 2 11.807 6.231 3.330 12 H SER 3 H SER 3 12.490 5.121 0.061 13 HA SER 3 HA SER 3 10.583 3.936 -1.914 14 1HB SER 3 2HB SER 3 13.544 4.605 -1.977 15 2HB SER 3 1HB SER 3 12.875 3.456 -3.136 16 HG SER 3 HG SER 3 12.761 5.546 -3.859 17 H GLY 4 H GLY 4 10.608 1.732 -2.337 18 1HA GLY 4 2HA GLY 4 11.618 0.033 -0.112 19 2HA GLY 4 1HA GLY 4 10.425 -0.439 -1.318 20 H ARG 5 H ARG 5 12.356 -2.217 -0.904 21 HA ARG 5 HA ARG 5 14.710 -1.834 -2.520 22 1HB ARG 5 2HB ARG 5 14.195 -3.582 -0.603 23 2HB ARG 5 1HB ARG 5 13.571 -4.585 -1.891 24 1HG ARG 5 2HG ARG 5 16.181 -3.297 -2.518 25 2HG ARG 5 1HG ARG 5 16.259 -4.373 -1.152 26 1HD ARG 5 2HD ARG 5 15.016 -5.202 -3.809 27 2HD ARG 5 1HD ARG 5 16.720 -5.435 -3.438 28 HE ARG 5 HE ARG 5 15.747 -6.638 -1.304 29 1HH1 ARG 5 2HH1 ARG 5 13.198 -6.332 -3.324 30 2HH1 ARG 5 1HH1 ARG 5 13.007 -8.020 -3.662 31 1HH2 ARG 5 1HH2 ARG 5 16.089 -8.872 -2.255 32 2HH2 ARG 5 2HH2 ARG 5 14.689 -9.499 -3.062 33 H GLY 6 H GLY 6 14.078 -1.107 -4.418 34 1HA GLY 6 2HA GLY 6 13.953 -2.534 -6.692 35 2HA GLY 6 1HA GLY 6 12.259 -2.581 -6.215 36 H SER 7 H SER 7 13.207 0.215 -4.970 37 HA SER 7 HA SER 7 12.740 1.854 -7.431 38 1HB SER 7 2HB SER 7 11.681 2.232 -4.578 39 2HB SER 7 1HB SER 7 11.524 3.453 -5.855 40 HG SER 7 HG SER 7 9.734 2.025 -5.776 41 H ARG 8 H ARG 8 14.028 3.728 -7.570 42 HA ARG 8 HA ARG 8 16.506 3.649 -6.029 43 1HB ARG 8 2HB ARG 8 17.221 5.443 -7.572 44 2HB ARG 8 1HB ARG 8 16.523 4.100 -8.431 45 1HG ARG 8 2HG ARG 8 14.400 5.957 -7.739 46 2HG ARG 8 1HG ARG 8 15.697 6.824 -8.514 47 1HD ARG 8 2HD ARG 8 15.658 5.234 -10.421 48 2HD ARG 8 1HD ARG 8 14.357 4.332 -9.645 49 HE ARG 8 HE ARG 8 14.140 7.043 -10.824 50 1HH1 ARG 8 1HH2 ARG 8 12.510 7.007 -8.369 51 2HH1 ARG 8 2HH2 ARG 8 11.000 6.363 -8.915 52 1HH2 ARG 8 2HH1 ARG 8 12.361 5.083 -11.873 53 2HH2 ARG 8 1HH1 ARG 8 10.908 5.245 -10.943 54 H CYS 9 H CYS 9 17.349 6.068 -5.711 55 HA CYS 9 HA CYS 9 15.485 7.314 -3.810 56 1HB CYS 9 2HB CYS 9 17.340 7.975 -2.475 57 2HB CYS 9 1HB CYS 9 17.501 6.280 -2.821 58 HA HYP 10 HA HYP 10 15.130 8.973 -2.805 59 1HB HYP 10 1HB HYP 10 14.800 11.021 -2.012 60 2HB HYP 10 2HB HYP 10 13.430 11.212 -3.084 61 1HD HYP 10 1HD1 HYP 10 17.120 11.387 -5.018 62 2HD HYP 10 2HD1 HYP 10 15.640 11.313 -5.983 63 HOD HYP 10 HD2 HYP 10 16.383 13.430 -3.182 64 HG HYP 10 HG HYP 10 14.755 12.792 -4.355 65 HA HYP 11 HA HYP 11 12.536 9.933 -1.729 66 1HB HYP 11 1HB HYP 11 10.585 9.158 -0.919 67 2HB HYP 11 2HB HYP 11 11.145 7.493 -0.992 68 1HD HYP 11 1HD1 HYP 11 10.757 9.117 -4.713 69 2HD HYP 11 2HD1 HYP 11 11.249 7.421 -4.609 70 HOD HYP 11 HD2 HYP 11 9.716 10.010 -2.894 71 HG HYP 11 HG HYP 11 9.729 7.165 -2.817 72 H GLN 12 H GLN 12 14.098 9.604 -0.245 73 HA GLN 12 HA GLN 12 16.238 7.887 -0.540 74 1HB GLN 12 2HB GLN 12 15.151 9.556 1.627 75 2HB GLN 12 1HB GLN 12 15.912 8.127 2.294 76 1HG GLN 12 2HG GLN 12 17.617 9.858 2.100 77 2HG GLN 12 1HG GLN 12 17.969 8.642 0.885 78 1HE2 GLN 12 2HE2 GLN 12 17.186 12.403 -0.294 79 2HE2 GLN 12 1HE2 GLN 12 17.370 11.997 1.350 80 H CYS 13 H CYS 13 16.615 5.775 -0.289 81 HA CYS 13 HA CYS 13 14.530 3.922 -0.037 82 1HB CYS 13 2HB CYS 13 17.206 3.100 0.956 83 2HB CYS 13 1HB CYS 13 16.106 2.311 -0.132 84 H CYS 14 H CYS 14 13.577 2.928 1.514 85 HA CYS 14 HA CYS 14 13.286 3.948 4.098 86 1HB CYS 14 2HB CYS 14 12.753 1.106 3.189 87 2HB CYS 14 1HB CYS 14 12.051 1.885 4.580 88 H MET 15 H MET 15 13.631 2.754 6.149 89 HA MET 15 HA MET 15 16.322 2.476 6.778 90 1HB MET 15 2HB MET 15 14.355 2.764 8.385 91 2HB MET 15 1HB MET 15 14.037 1.049 8.215 92 1HG MET 15 2HG MET 15 16.232 0.505 9.104 93 2HG MET 15 1HG MET 15 16.709 2.180 9.104 94 1HE MET 15 3HE MET 15 15.172 3.988 10.465 95 2HE MET 15 2HE MET 15 15.301 3.703 12.188 96 3HE MET 15 1HE MET 15 16.748 3.596 11.194 97 H GLY 16 H GLY 16 17.791 0.976 6.566 98 1HA GLY 16 2HA GLY 16 18.639 -1.261 6.633 99 2HA GLY 16 1HA GLY 16 17.071 -1.841 6.090 100 H LEU 17 H LEU 17 16.964 0.338 4.012 101 HA LEU 17 HA LEU 17 18.486 -1.096 1.990 102 1HB LEU 17 2HB LEU 17 16.574 1.229 1.731 103 2HB LEU 17 1HB LEU 17 17.269 0.386 0.370 104 HG LEU 17 HG LEU 17 15.295 -0.680 2.411 105 1HD1 LEU 17 1HD1 LEU 17 14.376 0.845 0.722 106 2HD1 LEU 17 3HD1 LEU 17 14.974 -0.202 -0.556 107 3HD1 LEU 17 2HD1 LEU 17 13.743 -0.780 0.559 108 1HD2 LEU 17 3HD2 LEU 17 16.887 -2.512 1.640 109 2HD2 LEU 17 2HD2 LEU 17 15.223 -2.777 1.180 110 3HD2 LEU 17 1HD2 LEU 17 16.367 -2.186 -0.010 111 H ARG 18 H ARG 18 19.554 0.031 0.312 112 HA ARG 18 HA ARG 18 20.890 2.593 0.946 113 1HB ARG 18 2HB ARG 18 22.907 1.222 -0.299 114 2HB ARG 18 1HB ARG 18 22.768 1.413 1.432 115 1HG ARG 18 2HG ARG 18 21.972 -0.723 1.762 116 2HG ARG 18 1HG ARG 18 21.443 -0.949 0.116 117 1HD ARG 18 2HD ARG 18 24.087 -0.620 -0.407 118 2HD ARG 18 1HD ARG 18 24.239 -1.199 1.247 119 HE ARG 18 HE ARG 18 22.473 -2.908 -0.259 120 1HH1 ARG 18 2HH1 ARG 18 25.550 -1.950 -1.144 121 2HH1 ARG 18 1HH1 ARG 18 26.255 -3.531 -1.050 122 1HH2 ARG 18 1HH2 ARG 18 23.442 -4.932 0.435 123 2HH2 ARG 18 2HH2 ARG 18 25.035 -5.278 -0.122 124 H CYS 19 H CYS 19 21.214 3.736 -0.818 125 HA CYS 19 HA CYS 19 19.672 3.142 -3.201 126 1HB CYS 19 2HB CYS 19 20.128 5.408 -2.131 127 2HB CYS 19 1HB CYS 19 21.689 5.375 -2.895 128 H GLY 20 H GLY 20 20.434 1.445 -4.415 129 1HA GLY 20 2HA GLY 20 23.264 1.181 -5.118 130 2HA GLY 20 1HA GLY 20 21.941 0.158 -5.676 131 H ARG 21 H ARG 21 24.124 2.396 -6.707 132 HA ARG 21 HA ARG 21 22.604 3.945 -8.528 133 1HB ARG 21 2HB ARG 21 25.393 3.585 -7.850 134 2HB ARG 21 1HB ARG 21 25.270 3.507 -9.593 135 1HG ARG 21 2HG ARG 21 24.100 5.654 -9.671 136 2HG ARG 21 1HG ARG 21 24.002 5.699 -7.920 137 1HD ARG 21 2HD ARG 21 26.660 5.540 -8.038 138 2HD ARG 21 1HD ARG 21 26.424 6.100 -9.688 139 HE ARG 21 HE ARG 21 25.777 8.206 -8.843 140 1HH1 ARG 21 1HH2 ARG 21 23.705 7.353 -6.949 141 2HH1 ARG 21 2HH2 ARG 21 24.379 7.768 -5.407 142 1HH2 ARG 21 2HH1 ARG 21 27.628 8.063 -6.691 143 2HH2 ARG 21 1HH1 ARG 21 26.663 8.178 -5.257 144 H GLY 22 H GLY 22 22.967 3.851 -10.914 145 1HA GLY 22 2HA GLY 22 23.578 1.900 -12.644 146 2HA GLY 22 1HA GLY 22 22.123 1.202 -11.920 147 H ASN 23 H ASN 23 21.107 1.362 -13.990 148 HA ASN 23 HA ASN 23 19.695 3.888 -14.346 149 1HB ASN 23 2HB ASN 23 21.855 4.227 -15.627 150 2HB ASN 23 1HB ASN 23 21.409 2.885 -16.667 151 1HD2 ASN 23 2HD2 ASN 23 18.787 4.706 -18.306 152 2HD2 ASN 23 1HD2 ASN 23 19.292 3.142 -17.881 153 HA PRO 24 HA PRO 24 17.739 4.112 -14.066 154 1HB PRO 24 2HB PRO 24 15.535 2.889 -12.878 155 2HB PRO 24 1HB PRO 24 15.515 3.992 -14.242 156 1HG PRO 24 2HG PRO 24 15.068 1.083 -14.253 157 2HG PRO 24 1HG PRO 24 14.743 2.249 -15.528 158 1HD PRO 24 2HD PRO 24 16.929 0.372 -15.423 159 2HD PRO 24 1HD PRO 24 16.672 1.635 -16.637 160 H GLN 25 H GLN 25 18.324 4.494 -11.983 161 HA GLN 25 HA GLN 25 19.880 2.614 -10.509 162 1HB GLN 25 2HB GLN 25 18.475 5.158 -9.577 163 2HB GLN 25 1HB GLN 25 19.644 4.286 -8.602 164 1HG GLN 25 2HG GLN 25 21.379 4.664 -10.333 165 2HG GLN 25 1HG GLN 25 20.212 5.496 -11.350 166 1HE2 GLN 25 2HE2 GLN 25 20.306 8.499 -9.480 167 2HE2 GLN 25 1HE2 GLN 25 19.476 7.610 -10.663 168 H LYS 26 H LYS 26 19.360 1.824 -8.255 169 HA LYS 26 HA LYS 26 16.573 1.535 -7.503 170 1HB LYS 26 2HB LYS 26 17.827 -0.472 -9.223 171 2HB LYS 26 1HB LYS 26 17.389 -1.210 -7.697 172 1HG LYS 26 2HG LYS 26 15.145 -0.797 -7.945 173 2HG LYS 26 1HG LYS 26 15.346 0.555 -9.036 174 1HD LYS 26 2HD LYS 26 14.617 -1.095 -10.514 175 2HD LYS 26 1HD LYS 26 16.349 -1.251 -10.690 176 1HE LYS 26 2HE LYS 26 15.889 -3.483 -10.267 177 2HE LYS 26 1HE LYS 26 15.942 -2.978 -8.587 178 1HZ LYS 26 1HZ LYS 26 13.463 -2.399 -9.045 179 2HZ LYS 26 3HZ LYS 26 13.635 -3.549 -10.284 180 3HZ LYS 26 2HZ LYS 26 13.933 -3.988 -8.670 181 H CYS 27 H CYS 27 16.337 1.135 -5.323 182 HA CYS 27 HA CYS 27 18.739 1.009 -3.745 183 1HB CYS 27 2HB CYS 27 15.879 0.673 -2.704 184 2HB CYS 27 1HB CYS 27 17.319 1.047 -1.840 185 H ILE 28 H ILE 28 19.350 -0.625 -2.406 186 HA ILE 28 HA ILE 28 18.161 -3.344 -2.732 187 HB ILE 28 HB ILE 28 20.513 -4.202 -2.615 188 1HG1 ILE 28 2HG1 ILE 28 21.245 -1.838 -1.608 189 2HG1 ILE 28 1HG1 ILE 28 22.356 -2.858 -2.454 190 1HG2 ILE 28 3HG2 ILE 28 19.821 -2.420 -4.986 191 2HG2 ILE 28 2HG2 ILE 28 21.140 -3.580 -4.983 192 3HG2 ILE 28 1HG2 ILE 28 19.485 -4.129 -4.793 193 1HD1 ILE 28 2HD1 ILE 28 20.815 -0.720 -3.893 194 2HD1 ILE 28 1HD1 ILE 28 22.303 -0.374 -3.026 195 3HD1 ILE 28 3HD1 ILE 28 22.314 -1.519 -4.362 196 H GLY 29 H GLY 29 19.675 -4.557 -0.795 197 1HA GLY 29 2HA GLY 29 19.049 -2.951 1.623 198 2HA GLY 29 1HA GLY 29 18.943 -4.681 1.582 199 H ALA 30 H ALA 30 20.587 -2.532 3.082 200 HA ALA 30 HA ALA 30 23.366 -2.937 2.469 201 1HB ALA 30 2HB ALA 30 21.984 -2.158 5.083 202 2HB ALA 30 1HB ALA 30 23.720 -2.050 4.813 203 3HB ALA 30 3HB ALA 30 22.624 -1.043 3.886 204 H HIS 31 H HIS 31 21.087 -4.376 4.648 205 HA HIS 31 HA HIS 31 22.955 -6.565 5.397 206 1HB HIS 31 2HB HIS 31 21.449 -5.244 7.088 207 2HB HIS 31 1HB HIS 31 20.102 -6.156 6.424 208 HD1 HIS 31 HD1 HIS 31 23.467 -6.913 7.941 209 HD2 HIS 31 HD2 HIS 31 19.781 -8.633 7.586 210 HE1 HIS 31 HE1 HIS 31 23.542 -8.993 9.267 211 1HN CGU 32 HN CGU 32 22.128 -6.329 2.783 212 HA CGU 32 HA CGU 32 20.877 -8.943 2.298 213 1HB CGU 32 1HB CGU 32 19.783 -6.602 0.675 214 2HB CGU 32 2HB CGU 32 19.185 -6.839 2.293 215 HG CGU 32 HG CGU 32 18.844 -9.345 1.475 216 H ASP 33 H ASP 33 22.808 -9.574 1.552 217 HA ASP 33 HA ASP 33 23.900 -8.210 -0.884 218 1HB ASP 33 2HB ASP 33 25.226 -8.572 1.531 219 2HB ASP 33 1HB ASP 33 25.698 -10.037 0.701 220 H VAL 34 H VAL 34 21.783 -9.914 -0.991 221 HA VAL 34 HA VAL 34 22.835 -12.053 -2.696 222 HB VAL 34 HB VAL 34 22.846 -13.199 -0.567 223 1HG1 VAL 34 1HG1 VAL 34 21.173 -11.520 0.550 224 2HG1 VAL 34 3HG1 VAL 34 19.918 -12.615 -0.003 225 3HG1 VAL 34 2HG1 VAL 34 21.161 -13.187 1.087 226 1HG2 VAL 34 1HG2 VAL 34 21.811 -14.399 -2.569 227 2HG2 VAL 34 3HG2 VAL 34 21.416 -15.069 -0.997 228 3HG2 VAL 34 2HG2 VAL 34 20.239 -14.085 -1.849 No H/Q in entry = 228 Start of MODEL 12 1 1H ALA 1 2H ALA 1 7.532 9.171 0.120 2 2H ALA 1 1H ALA 1 6.027 8.930 0.872 3 3H ALA 1 3H ALA 1 7.105 10.092 1.482 4 HA ALA 1 HA ALA 1 7.978 8.609 2.827 5 1HB ALA 1 1HB ALA 1 5.751 7.472 2.727 6 2HB ALA 1 3HB ALA 1 6.294 6.536 1.343 7 3HB ALA 1 2HB ALA 1 7.046 6.301 2.914 8 H CYS 2 H CYS 2 9.613 7.043 2.980 9 HA CYS 2 HA CYS 2 11.687 7.097 1.177 10 1HB CYS 2 2HB CYS 2 12.473 5.020 2.330 11 2HB CYS 2 1HB CYS 2 12.053 6.295 3.418 12 H SER 3 H SER 3 12.759 5.214 0.122 13 HA SER 3 HA SER 3 10.901 4.010 -1.864 14 1HB SER 3 2HB SER 3 12.827 5.260 -2.737 15 2HB SER 3 1HB SER 3 13.965 4.230 -1.856 16 HG SER 3 HG SER 3 13.167 2.469 -3.020 17 H GLY 4 H GLY 4 11.315 1.699 -2.522 18 1HA GLY 4 2HA GLY 4 12.132 0.022 -0.178 19 2HA GLY 4 1HA GLY 4 10.748 -0.350 -1.196 20 H ARG 5 H ARG 5 12.248 -2.360 -1.053 21 HA ARG 5 HA ARG 5 14.571 -2.466 -2.678 22 1HB ARG 5 2HB ARG 5 12.589 -4.635 -1.820 23 2HB ARG 5 1HB ARG 5 14.019 -5.022 -2.752 24 1HG ARG 5 2HG ARG 5 15.498 -4.479 -1.014 25 2HG ARG 5 1HG ARG 5 14.346 -3.419 -0.228 26 1HD ARG 5 2HD ARG 5 14.176 -5.214 1.200 27 2HD ARG 5 1HD ARG 5 12.956 -5.721 0.036 28 HE ARG 5 HE ARG 5 15.309 -6.752 -0.991 29 1HH1 ARG 5 2HH1 ARG 5 15.487 -6.585 2.213 30 2HH1 ARG 5 1HH1 ARG 5 15.267 -8.267 2.565 31 1HH2 ARG 5 1HH2 ARG 5 14.223 -9.025 -0.686 32 2HH2 ARG 5 2HH2 ARG 5 14.534 -9.679 0.888 33 H GLY 6 H GLY 6 14.428 -1.725 -4.718 34 1HA GLY 6 2HA GLY 6 13.946 -2.716 -7.014 35 2HA GLY 6 1HA GLY 6 12.265 -2.760 -6.521 36 H SER 7 H SER 7 13.298 -0.019 -5.138 37 HA SER 7 HA SER 7 12.926 1.662 -7.594 38 1HB SER 7 2HB SER 7 11.696 3.226 -5.703 39 2HB SER 7 1HB SER 7 10.787 2.019 -6.618 40 HG SER 7 HG SER 7 11.884 1.930 -4.085 41 H ARG 8 H ARG 8 14.149 3.477 -7.667 42 HA ARG 8 HA ARG 8 16.537 3.566 -6.033 43 1HB ARG 8 2HB ARG 8 17.140 5.468 -7.548 44 2HB ARG 8 1HB ARG 8 16.645 4.032 -8.391 45 1HG ARG 8 2HG ARG 8 14.390 5.879 -7.773 46 2HG ARG 8 1HG ARG 8 15.603 6.551 -8.831 47 1HD ARG 8 2HD ARG 8 15.144 5.074 -10.559 48 2HD ARG 8 1HD ARG 8 14.671 3.765 -9.479 49 HE ARG 8 HE ARG 8 12.723 5.696 -9.090 50 1HH1 ARG 8 2HH1 ARG 8 12.529 6.763 -11.578 51 2HH1 ARG 8 1HH1 ARG 8 11.761 5.594 -12.600 52 1HH2 ARG 8 1HH2 ARG 8 12.430 2.943 -10.407 53 2HH2 ARG 8 2HH2 ARG 8 11.703 3.377 -11.918 54 H CYS 9 H CYS 9 17.263 6.065 -5.768 55 HA CYS 9 HA CYS 9 15.354 7.267 -3.884 56 1HB CYS 9 2HB CYS 9 17.111 7.794 -2.406 57 2HB CYS 9 1HB CYS 9 17.388 6.146 -2.879 58 HA HYP 10 HA HYP 10 15.205 8.987 -2.772 59 1HB HYP 10 1HB HYP 10 15.016 11.091 -2.012 60 2HB HYP 10 2HB HYP 10 13.597 11.308 -3.005 61 1HD HYP 10 1HD1 HYP 10 17.199 11.282 -5.106 62 2HD HYP 10 2HD1 HYP 10 15.693 11.235 -6.030 63 HOD HYP 10 HD2 HYP 10 17.005 11.737 -2.840 64 HG HYP 10 HG HYP 10 14.886 12.777 -4.424 65 HA HYP 11 HA HYP 11 12.732 10.038 -1.622 66 1HB HYP 11 1HB HYP 11 10.706 9.444 -0.852 67 2HB HYP 11 2HB HYP 11 11.263 7.795 -0.638 68 1HD HYP 11 1HD1 HYP 11 10.776 9.052 -4.503 69 2HD HYP 11 2HD1 HYP 11 11.349 7.385 -4.355 70 HOD HYP 11 HD2 HYP 11 8.462 8.509 -2.757 71 HG HYP 11 HG HYP 11 9.995 7.102 -2.456 72 H GLN 12 H GLN 12 14.299 9.695 -0.156 73 HA GLN 12 HA GLN 12 16.401 7.943 -0.368 74 1HB GLN 12 2HB GLN 12 15.120 9.059 2.154 75 2HB GLN 12 1HB GLN 12 16.672 8.247 2.169 76 1HG GLN 12 2HG GLN 12 17.776 10.032 1.232 77 2HG GLN 12 1HG GLN 12 16.491 10.375 0.086 78 1HE2 GLN 12 2HE2 GLN 12 16.633 12.373 3.612 79 2HE2 GLN 12 1HE2 GLN 12 17.747 11.143 3.260 80 H CYS 13 H CYS 13 16.610 5.784 -0.277 81 HA CYS 13 HA CYS 13 14.516 3.984 0.101 82 1HB CYS 13 2HB CYS 13 17.184 3.018 0.988 83 2HB CYS 13 1HB CYS 13 16.030 2.341 -0.110 84 H CYS 14 H CYS 14 13.611 2.971 1.648 85 HA CYS 14 HA CYS 14 13.394 3.932 4.251 86 1HB CYS 14 2HB CYS 14 12.807 1.155 3.212 87 2HB CYS 14 1HB CYS 14 12.159 1.809 4.682 88 H MET 15 H MET 15 13.677 2.599 6.249 89 HA MET 15 HA MET 15 16.392 2.254 6.854 90 1HB MET 15 2HB MET 15 14.684 2.652 8.591 91 2HB MET 15 1HB MET 15 13.902 1.129 8.225 92 1HG MET 15 2HG MET 15 15.536 -0.129 9.265 93 2HG MET 15 1HG MET 15 16.802 1.028 8.983 94 1HE MET 15 2HE MET 15 16.671 3.502 10.248 95 2HE MET 15 1HE MET 15 16.976 3.210 11.951 96 3HE MET 15 3HE MET 15 17.891 2.306 10.756 97 H GLY 16 H GLY 16 17.768 0.705 6.493 98 1HA GLY 16 2HA GLY 16 18.458 -1.610 6.525 99 2HA GLY 16 1HA GLY 16 16.866 -2.050 5.917 100 H LEU 17 H LEU 17 16.850 0.179 3.966 101 HA LEU 17 HA LEU 17 18.472 -1.143 1.924 102 1HB LEU 17 2HB LEU 17 16.209 0.856 1.788 103 2HB LEU 17 1HB LEU 17 17.236 0.585 0.402 104 HG LEU 17 HG LEU 17 16.538 -2.018 1.312 105 1HD1 LEU 17 3HD1 LEU 17 14.636 -0.955 2.504 106 2HD1 LEU 17 2HD1 LEU 17 14.126 -0.204 0.994 107 3HD1 LEU 17 1HD1 LEU 17 14.075 -1.948 1.170 108 1HD2 LEU 17 3HD2 LEU 17 16.785 -0.721 -1.105 109 2HD2 LEU 17 2HD2 LEU 17 16.163 -2.332 -0.899 110 3HD2 LEU 17 1HD2 LEU 17 15.060 -0.969 -1.026 111 H ARG 18 H ARG 18 19.387 0.106 0.285 112 HA ARG 18 HA ARG 18 20.654 2.686 0.954 113 1HB ARG 18 2HB ARG 18 22.763 1.510 -0.156 114 2HB ARG 18 1HB ARG 18 22.469 1.359 1.560 115 1HG ARG 18 2HG ARG 18 21.586 -0.853 1.290 116 2HG ARG 18 1HG ARG 18 21.346 -0.649 -0.427 117 1HD ARG 18 2HD ARG 18 24.112 -0.675 0.845 118 2HD ARG 18 1HD ARG 18 23.345 -2.094 0.128 119 HE ARG 18 HE ARG 18 23.273 0.115 -1.707 120 1HH1 ARG 18 2HH1 ARG 18 23.810 -2.273 -2.990 121 2HH1 ARG 18 1HH1 ARG 18 25.531 -2.377 -3.157 122 1HH2 ARG 18 1HH2 ARG 18 26.110 0.052 -0.697 123 2HH2 ARG 18 2HH2 ARG 18 26.871 -1.023 -1.824 124 H CYS 19 H CYS 19 21.208 3.787 -0.852 125 HA CYS 19 HA CYS 19 19.603 3.278 -3.232 126 1HB CYS 19 2HB CYS 19 20.221 5.522 -2.125 127 2HB CYS 19 1HB CYS 19 21.733 5.411 -2.974 128 H GLY 20 H GLY 20 20.327 1.477 -4.359 129 1HA GLY 20 2HA GLY 20 23.108 1.015 -5.015 130 2HA GLY 20 1HA GLY 20 21.718 0.179 -5.707 131 H ARG 21 H ARG 21 24.080 2.511 -6.275 132 HA ARG 21 HA ARG 21 22.799 4.137 -8.214 133 1HB ARG 21 2HB ARG 21 25.168 4.310 -6.955 134 2HB ARG 21 1HB ARG 21 25.750 3.531 -8.406 135 1HG ARG 21 2HG ARG 21 25.921 5.717 -9.136 136 2HG ARG 21 1HG ARG 21 24.254 5.463 -9.596 137 1HD ARG 21 2HD ARG 21 24.177 7.497 -8.374 138 2HD ARG 21 1HD ARG 21 23.688 6.315 -7.162 139 HE ARG 21 HE ARG 21 26.580 6.943 -7.332 140 1HH1 ARG 21 1HH2 ARG 21 26.575 6.014 -4.933 141 2HH1 ARG 21 2HH2 ARG 21 25.913 7.173 -3.827 142 1HH2 ARG 21 2HH1 ARG 21 24.388 9.034 -6.371 143 2HH2 ARG 21 1HH1 ARG 21 24.646 8.925 -4.661 144 H GLY 22 H GLY 22 23.098 4.137 -10.496 145 1HA GLY 22 2HA GLY 22 24.228 2.513 -12.305 146 2HA GLY 22 1HA GLY 22 22.960 1.442 -11.698 147 H ASN 23 H ASN 23 22.223 1.572 -13.968 148 HA ASN 23 HA ASN 23 20.256 3.735 -14.288 149 1HB ASN 23 2HB ASN 23 21.026 3.641 -16.821 150 2HB ASN 23 1HB ASN 23 21.865 4.684 -15.682 151 1HD2 ASN 23 2HD2 ASN 23 23.781 1.476 -17.317 152 2HD2 ASN 23 1HD2 ASN 23 22.118 1.709 -17.569 153 HA PRO 24 HA PRO 24 18.275 3.733 -14.252 154 1HB PRO 24 2HB PRO 24 16.028 2.419 -13.299 155 2HB PRO 24 1HB PRO 24 16.138 3.338 -14.791 156 1HG PRO 24 2HG PRO 24 15.991 0.408 -14.453 157 2HG PRO 24 1HG PRO 24 15.724 1.363 -15.906 158 1HD PRO 24 2HD PRO 24 18.066 -0.191 -15.265 159 2HD PRO 24 1HD PRO 24 17.847 0.870 -16.667 160 H GLN 25 H GLN 25 18.582 4.330 -12.168 161 HA GLN 25 HA GLN 25 20.019 2.722 -10.323 162 1HB GLN 25 2HB GLN 25 18.410 5.279 -10.024 163 2HB GLN 25 1HB GLN 25 19.086 4.500 -8.607 164 1HG GLN 25 2HG GLN 25 21.336 4.523 -9.964 165 2HG GLN 25 1HG GLN 25 20.538 5.741 -10.946 166 1HE2 GLN 25 2HE2 GLN 25 21.946 8.004 -8.620 167 2HE2 GLN 25 1HE2 GLN 25 22.079 7.336 -10.175 168 H LYS 26 H LYS 26 19.359 1.871 -8.262 169 HA LYS 26 HA LYS 26 16.540 1.519 -7.639 170 1HB LYS 26 2HB LYS 26 17.975 -0.523 -9.229 171 2HB LYS 26 1HB LYS 26 17.361 -1.202 -7.735 172 1HG LYS 26 2HG LYS 26 15.128 -0.328 -8.218 173 2HG LYS 26 1HG LYS 26 15.668 0.369 -9.726 174 1HD LYS 26 2HD LYS 26 16.057 -2.594 -9.180 175 2HD LYS 26 1HD LYS 26 14.524 -1.993 -9.774 176 1HE LYS 26 2HE LYS 26 15.769 -0.892 -11.701 177 2HE LYS 26 1HE LYS 26 17.230 -1.699 -11.147 178 1HZ LYS 26 3HZ LYS 26 14.900 -3.386 -11.479 179 2HZ LYS 26 2HZ LYS 26 15.556 -2.737 -12.903 180 3HZ LYS 26 1HZ LYS 26 16.526 -3.675 -11.871 181 H CYS 27 H CYS 27 16.264 1.169 -5.444 182 HA CYS 27 HA CYS 27 18.656 1.084 -3.830 183 1HB CYS 27 2HB CYS 27 15.773 0.810 -2.866 184 2HB CYS 27 1HB CYS 27 17.187 1.108 -1.936 185 H ILE 28 H ILE 28 19.215 -0.581 -2.460 186 HA ILE 28 HA ILE 28 17.874 -3.226 -2.741 187 HB ILE 28 HB ILE 28 20.122 -4.277 -2.865 188 1HG1 ILE 28 2HG1 ILE 28 21.273 -2.307 -1.665 189 2HG1 ILE 28 1HG1 ILE 28 22.110 -3.109 -2.930 190 1HG2 ILE 28 1HG2 ILE 28 19.466 -2.328 -5.097 191 2HG2 ILE 28 3HG2 ILE 28 20.807 -3.455 -5.200 192 3HG2 ILE 28 2HG2 ILE 28 19.171 -4.053 -5.016 193 1HD1 ILE 28 1HD1 ILE 28 20.640 -0.868 -4.051 194 2HD1 ILE 28 3HD1 ILE 28 21.664 -0.365 -2.721 195 3HD1 ILE 28 2HD1 ILE 28 22.359 -1.221 -4.082 196 H GLY 29 H GLY 29 19.360 -4.597 -0.943 197 1HA GLY 29 2HA GLY 29 18.955 -2.995 1.492 198 2HA GLY 29 1HA GLY 29 18.951 -4.717 1.444 199 H ALA 30 H ALA 30 20.476 -2.650 2.940 200 HA ALA 30 HA ALA 30 23.297 -2.963 2.168 201 1HB ALA 30 3HB ALA 30 21.845 -1.601 4.474 202 2HB ALA 30 2HB ALA 30 23.596 -1.747 4.459 203 3HB ALA 30 1HB ALA 30 22.781 -0.841 3.198 204 H HIS 31 H HIS 31 21.096 -3.874 4.709 205 HA HIS 31 HA HIS 31 22.938 -5.897 5.847 206 1HB HIS 31 2HB HIS 31 21.343 -4.252 7.181 207 2HB HIS 31 1HB HIS 31 20.067 -5.382 6.759 208 HD1 HIS 31 HD1 HIS 31 22.252 -7.827 7.135 209 HD2 HIS 31 HD2 HIS 31 21.100 -5.064 9.910 210 HE1 HIS 31 HE1 HIS 31 22.732 -8.819 9.343 211 1HN CGU 32 HN CGU 32 22.140 -6.228 3.253 212 HA CGU 32 HA CGU 32 20.166 -8.437 3.156 213 1HB CGU 32 1HB CGU 32 21.658 -7.080 0.884 214 2HB CGU 32 2HB CGU 32 20.256 -6.347 1.611 215 HG CGU 32 HG CGU 32 20.020 -9.158 0.599 216 H ASP 33 H ASP 33 22.674 -8.668 4.423 217 HA ASP 33 HA ASP 33 24.528 -10.041 4.624 218 1HB ASP 33 2HB ASP 33 22.541 -11.675 4.408 219 2HB ASP 33 1HB ASP 33 22.954 -11.841 2.719 220 H VAL 34 H VAL 34 24.628 -8.056 2.691 221 HA VAL 34 HA VAL 34 26.225 -9.199 0.450 222 HB VAL 34 HB VAL 34 24.848 -6.504 0.865 223 1HG1 VAL 34 1HG1 VAL 34 26.782 -7.351 -1.334 224 2HG1 VAL 34 3HG1 VAL 34 25.680 -5.995 -1.503 225 3HG1 VAL 34 2HG1 VAL 34 26.924 -5.959 -0.272 226 1HG2 VAL 34 2HG2 VAL 34 23.771 -8.835 -0.092 227 2HG2 VAL 34 1HG2 VAL 34 23.261 -7.253 -0.646 228 3HG2 VAL 34 3HG2 VAL 34 24.410 -8.184 -1.582 No H/Q in entry = 228 Start of MODEL 13 1 1H ALA 1 2H ALA 1 8.939 10.711 2.310 2 2H ALA 1 1H ALA 1 7.535 10.367 3.202 3 3H ALA 1 3H ALA 1 9.036 9.748 3.707 4 HA ALA 1 HA ALA 1 7.767 8.017 2.672 5 1HB ALA 1 1HB ALA 1 7.756 9.905 0.275 6 2HB ALA 1 3HB ALA 1 7.191 8.241 0.234 7 3HB ALA 1 2HB ALA 1 6.352 9.433 1.217 8 H CYS 2 H CYS 2 9.208 6.479 2.350 9 HA CYS 2 HA CYS 2 11.825 7.114 1.081 10 1HB CYS 2 2HB CYS 2 12.509 4.988 2.230 11 2HB CYS 2 1HB CYS 2 12.049 6.213 3.360 12 H SER 3 H SER 3 12.804 4.982 0.197 13 HA SER 3 HA SER 3 10.954 3.965 -1.921 14 1HB SER 3 2HB SER 3 12.804 5.022 -2.977 15 2HB SER 3 1HB SER 3 13.958 4.406 -1.792 16 HG SER 3 HG SER 3 13.715 3.390 -3.936 17 H GLY 4 H GLY 4 10.854 1.786 -2.357 18 1HA GLY 4 2HA GLY 4 11.687 -0.030 -0.134 19 2HA GLY 4 1HA GLY 4 10.429 -0.371 -1.327 20 H ARG 5 H ARG 5 12.317 -2.284 -0.982 21 HA ARG 5 HA ARG 5 14.620 -1.997 -2.677 22 1HB ARG 5 2HB ARG 5 14.193 -3.725 -0.798 23 2HB ARG 5 1HB ARG 5 13.247 -4.626 -1.967 24 1HG ARG 5 2HG ARG 5 15.281 -4.571 -3.511 25 2HG ARG 5 1HG ARG 5 16.169 -3.823 -2.196 26 1HD ARG 5 2HD ARG 5 14.711 -6.409 -1.646 27 2HD ARG 5 1HD ARG 5 16.235 -6.450 -2.529 28 HE ARG 5 HE ARG 5 16.077 -5.032 0.098 29 1HH1 ARG 5 1HH2 ARG 5 18.492 -5.595 -1.754 30 2HH1 ARG 5 2HH2 ARG 5 19.297 -6.838 -0.866 31 1HH2 ARG 5 2HH1 ARG 5 16.510 -7.427 1.191 32 2HH2 ARG 5 1HH1 ARG 5 18.139 -7.909 0.856 33 H GLY 6 H GLY 6 14.022 -1.183 -4.588 34 1HA GLY 6 2HA GLY 6 13.832 -2.453 -6.886 35 2HA GLY 6 1HA GLY 6 12.161 -2.666 -6.368 36 H SER 7 H SER 7 12.849 0.136 -4.984 37 HA SER 7 HA SER 7 11.911 1.755 -7.311 38 1HB SER 7 2HB SER 7 11.118 1.667 -4.484 39 2HB SER 7 1HB SER 7 11.730 3.281 -4.875 40 HG SER 7 HG SER 7 9.856 3.505 -5.730 41 H ARG 8 H ARG 8 12.859 3.841 -7.533 42 HA ARG 8 HA ARG 8 15.742 3.817 -7.357 43 1HB ARG 8 2HB ARG 8 15.529 6.064 -8.459 44 2HB ARG 8 1HB ARG 8 14.592 4.833 -9.271 45 1HG ARG 8 2HG ARG 8 13.059 6.181 -7.108 46 2HG ARG 8 1HG ARG 8 13.623 7.296 -8.323 47 1HD ARG 8 2HD ARG 8 12.456 6.189 -10.077 48 2HD ARG 8 1HD ARG 8 12.203 4.733 -9.115 49 HE ARG 8 HE ARG 8 10.953 6.819 -7.703 50 1HH1 ARG 8 1HH2 ARG 8 10.290 7.892 -10.357 51 2HH1 ARG 8 2HH2 ARG 8 8.833 7.054 -10.772 52 1HH2 ARG 8 2HH1 ARG 8 9.350 4.575 -8.339 53 2HH2 ARG 8 1HH1 ARG 8 8.283 5.113 -9.595 54 H CYS 9 H CYS 9 16.583 6.239 -6.799 55 HA CYS 9 HA CYS 9 15.605 7.037 -4.176 56 1HB CYS 9 2HB CYS 9 18.167 6.935 -3.474 57 2HB CYS 9 1HB CYS 9 17.067 5.608 -3.255 58 HA HYP 10 HA HYP 10 15.501 8.671 -3.006 59 1HB HYP 10 1HB HYP 10 15.349 10.751 -2.190 60 2HB HYP 10 2HB HYP 10 14.002 11.054 -3.258 61 1HD HYP 10 1HD1 HYP 10 17.838 10.933 -4.894 62 2HD HYP 10 2HD1 HYP 10 16.528 11.031 -6.077 63 HOD HYP 10 HD2 HYP 10 16.496 12.934 -2.680 64 HG HYP 10 HG HYP 10 15.452 12.481 -4.580 65 HA HYP 11 HA HYP 11 12.814 9.716 -2.129 66 1HB HYP 11 1HB HYP 11 10.679 8.977 -1.857 67 2HB HYP 11 2HB HYP 11 11.370 7.556 -1.089 68 1HD HYP 11 1HD1 HYP 11 11.284 8.263 -5.123 69 2HD HYP 11 2HD1 HYP 11 12.197 6.765 -4.884 70 HOD HYP 11 HD2 HYP 11 9.230 7.021 -4.124 71 HG HYP 11 HG HYP 11 10.916 6.212 -2.984 72 H GLN 12 H GLN 12 14.221 9.526 -0.466 73 HA GLN 12 HA GLN 12 16.450 7.877 -0.470 74 1HB GLN 12 2HB GLN 12 15.078 8.922 2.057 75 2HB GLN 12 1HB GLN 12 16.784 8.549 1.871 76 1HG GLN 12 2HG GLN 12 16.682 10.317 -0.111 77 2HG GLN 12 1HG GLN 12 15.201 10.847 0.667 78 1HE2 GLN 12 2HE2 GLN 12 18.049 12.859 1.965 79 2HE2 GLN 12 1HE2 GLN 12 17.406 12.532 0.425 80 H CYS 13 H CYS 13 16.638 5.731 -0.309 81 HA CYS 13 HA CYS 13 14.596 3.916 0.120 82 1HB CYS 13 2HB CYS 13 17.279 3.075 1.098 83 2HB CYS 13 1HB CYS 13 16.134 2.298 0.053 84 H CYS 14 H CYS 14 13.728 2.834 1.608 85 HA CYS 14 HA CYS 14 13.355 3.832 4.209 86 1HB CYS 14 2HB CYS 14 12.789 1.071 3.126 87 2HB CYS 14 1HB CYS 14 12.050 1.747 4.542 88 H MET 15 H MET 15 13.445 2.282 6.137 89 HA MET 15 HA MET 15 16.101 2.014 6.984 90 1HB MET 15 2HB MET 15 14.006 2.150 8.438 91 2HB MET 15 1HB MET 15 13.717 0.460 8.081 92 1HG MET 15 2HG MET 15 14.865 0.550 10.174 93 2HG MET 15 1HG MET 15 15.990 -0.072 9.009 94 1HE MET 15 2HE MET 15 15.408 2.129 11.864 95 2HE MET 15 1HE MET 15 16.308 3.606 11.590 96 3HE MET 15 3HE MET 15 14.834 3.326 10.676 97 H GLY 16 H GLY 16 17.596 0.541 6.719 98 1HA GLY 16 2HA GLY 16 18.489 -1.655 6.595 99 2HA GLY 16 1HA GLY 16 16.934 -2.236 6.027 100 H LEU 17 H LEU 17 16.873 0.115 4.074 101 HA LEU 17 HA LEU 17 18.418 -1.236 1.993 102 1HB LEU 17 2HB LEU 17 16.431 1.052 1.833 103 2HB LEU 17 1HB LEU 17 17.178 0.351 0.427 104 HG LEU 17 HG LEU 17 15.124 -0.858 2.286 105 1HD1 LEU 17 2HD1 LEU 17 14.507 0.691 0.377 106 2HD1 LEU 17 1HD1 LEU 17 14.982 -0.611 -0.703 107 3HD1 LEU 17 3HD1 LEU 17 13.684 -0.857 0.463 108 1HD2 LEU 17 3HD2 LEU 17 16.875 -2.644 1.631 109 2HD2 LEU 17 2HD2 LEU 17 15.233 -2.972 1.132 110 3HD2 LEU 17 1HD2 LEU 17 16.384 -2.364 -0.036 111 H ARG 18 H ARG 18 19.404 0.048 0.350 112 HA ARG 18 HA ARG 18 20.667 2.605 1.093 113 1HB ARG 18 2HB ARG 18 22.805 1.416 0.014 114 2HB ARG 18 1HB ARG 18 22.494 1.351 1.735 115 1HG ARG 18 2HG ARG 18 21.762 -0.848 1.662 116 2HG ARG 18 1HG ARG 18 21.331 -0.799 -0.025 117 1HD ARG 18 2HD ARG 18 24.240 -0.545 0.833 118 2HD ARG 18 1HD ARG 18 23.485 -2.109 0.529 119 HE ARG 18 HE ARG 18 22.951 -0.302 -1.638 120 1HH1 ARG 18 2HH1 ARG 18 24.317 -3.209 -0.989 121 2HH1 ARG 18 1HH1 ARG 18 25.638 -3.080 -2.105 122 1HH2 ARG 18 1HH2 ARG 18 25.069 0.316 -2.726 123 2HH2 ARG 18 2HH2 ARG 18 26.072 -1.044 -3.109 124 H CYS 19 H CYS 19 21.243 3.724 -0.670 125 HA CYS 19 HA CYS 19 19.741 3.202 -3.091 126 1HB CYS 19 2HB CYS 19 19.992 5.427 -2.160 127 2HB CYS 19 1HB CYS 19 21.712 5.384 -2.438 128 H GLY 20 H GLY 20 20.366 1.712 -4.496 129 1HA GLY 20 2HA GLY 20 23.191 1.268 -5.183 130 2HA GLY 20 1HA GLY 20 21.794 0.405 -5.845 131 H ARG 21 H ARG 21 24.051 2.816 -6.414 132 HA ARG 21 HA ARG 21 22.664 4.551 -8.169 133 1HB ARG 21 2HB ARG 21 25.586 3.785 -7.902 134 2HB ARG 21 1HB ARG 21 25.049 5.033 -9.006 135 1HG ARG 21 2HG ARG 21 24.561 6.540 -7.322 136 2HG ARG 21 1HG ARG 21 24.015 5.302 -6.208 137 1HD ARG 21 2HD ARG 21 26.119 6.318 -5.402 138 2HD ARG 21 1HD ARG 21 26.377 4.620 -5.792 139 HE ARG 21 HE ARG 21 27.056 6.774 -7.761 140 1HH1 ARG 21 2HH1 ARG 21 27.507 3.965 -8.524 141 2HH1 ARG 21 1HH1 ARG 21 29.165 3.703 -8.100 142 1HH2 ARG 21 1HH2 ARG 21 29.295 6.525 -6.031 143 2HH2 ARG 21 2HH2 ARG 21 30.203 5.189 -6.654 144 H GLY 22 H GLY 22 21.949 4.247 -10.141 145 1HA GLY 22 2HA GLY 22 23.246 2.774 -12.217 146 2HA GLY 22 1HA GLY 22 21.964 1.779 -11.518 147 H ASN 23 H ASN 23 21.302 2.088 -13.879 148 HA ASN 23 HA ASN 23 19.375 4.331 -14.025 149 1HB ASN 23 2HB ASN 23 20.013 4.159 -16.617 150 2HB ASN 23 1HB ASN 23 20.916 5.201 -15.532 151 1HD2 ASN 23 2HD2 ASN 23 22.666 1.829 -17.064 152 2HD2 ASN 23 1HD2 ASN 23 20.983 2.034 -17.169 153 HA PRO 24 HA PRO 24 17.426 4.377 -13.748 154 1HB PRO 24 2HB PRO 24 15.286 3.156 -12.504 155 2HB PRO 24 1HB PRO 24 15.232 4.028 -14.028 156 1HG PRO 24 2HG PRO 24 15.068 1.108 -13.575 157 2HG PRO 24 1HG PRO 24 14.617 2.027 -15.004 158 1HD PRO 24 2HD PRO 24 17.006 0.446 -14.643 159 2HD PRO 24 1HD PRO 24 16.609 1.463 -16.037 160 H GLN 25 H GLN 25 17.900 4.969 -11.678 161 HA GLN 25 HA GLN 25 19.603 3.416 -10.020 162 1HB GLN 25 2HB GLN 25 17.735 5.704 -9.227 163 2HB GLN 25 1HB GLN 25 18.957 5.033 -8.166 164 1HG GLN 25 2HG GLN 25 20.738 5.698 -9.756 165 2HG GLN 25 1HG GLN 25 19.523 6.360 -10.847 166 1HE2 GLN 25 2HE2 GLN 25 20.190 8.284 -7.268 167 2HE2 GLN 25 1HE2 GLN 25 20.465 6.611 -7.370 168 H LYS 26 H LYS 26 19.180 2.215 -8.076 169 HA LYS 26 HA LYS 26 16.412 1.770 -7.249 170 1HB LYS 26 2HB LYS 26 17.850 -0.177 -9.007 171 2HB LYS 26 1HB LYS 26 17.028 -0.888 -7.635 172 1HG LYS 26 2HG LYS 26 14.962 0.540 -8.380 173 2HG LYS 26 1HG LYS 26 15.812 0.726 -9.901 174 1HD LYS 26 2HD LYS 26 15.305 -2.008 -8.674 175 2HD LYS 26 1HD LYS 26 14.157 -1.229 -9.743 176 1HE LYS 26 2HE LYS 26 15.948 -1.045 -11.502 177 2HE LYS 26 1HE LYS 26 17.032 -1.947 -10.447 178 1HZ LYS 26 2HZ LYS 26 14.952 -3.560 -10.431 179 2HZ LYS 26 1HZ LYS 26 14.727 -2.856 -11.960 180 3HZ LYS 26 3HZ LYS 26 16.183 -3.652 -11.598 181 H CYS 27 H CYS 27 16.271 1.368 -5.209 182 HA CYS 27 HA CYS 27 18.564 1.099 -3.543 183 1HB CYS 27 2HB CYS 27 15.612 0.796 -2.772 184 2HB CYS 27 1HB CYS 27 16.973 1.007 -1.719 185 H ILE 28 H ILE 28 19.241 -0.569 -2.378 186 HA ILE 28 HA ILE 28 18.052 -3.287 -2.723 187 HB ILE 28 HB ILE 28 20.449 -4.126 -2.739 188 1HG1 ILE 28 2HG1 ILE 28 21.210 -1.768 -1.777 189 2HG1 ILE 28 1HG1 ILE 28 22.272 -2.719 -2.753 190 1HG2 ILE 28 1HG2 ILE 28 19.508 -2.393 -5.051 191 2HG2 ILE 28 3HG2 ILE 28 20.909 -3.448 -5.146 192 3HG2 ILE 28 2HG2 ILE 28 19.319 -4.124 -4.846 193 1HD1 ILE 28 2HD1 ILE 28 20.545 -0.670 -4.091 194 2HD1 ILE 28 1HD1 ILE 28 22.020 -0.205 -3.265 195 3HD1 ILE 28 3HD1 ILE 28 22.085 -1.358 -4.593 196 H GLY 29 H GLY 29 19.847 -4.517 -0.907 197 1HA GLY 29 2HA GLY 29 19.171 -3.045 1.566 198 2HA GLY 29 1HA GLY 29 19.272 -4.764 1.467 199 H ALA 30 H ALA 30 20.546 -2.708 3.120 200 HA ALA 30 HA ALA 30 23.440 -2.830 2.573 201 1HB ALA 30 1HB ALA 30 21.710 -1.555 4.731 202 2HB ALA 30 3HB ALA 30 23.453 -1.654 4.922 203 3HB ALA 30 2HB ALA 30 22.771 -0.751 3.586 204 H HIS 31 H HIS 31 21.008 -4.152 4.624 205 HA HIS 31 HA HIS 31 22.867 -5.856 6.170 206 1HB HIS 31 2HB HIS 31 20.616 -4.666 6.987 207 2HB HIS 31 1HB HIS 31 19.823 -6.061 6.279 208 HD1 HIS 31 HD1 HIS 31 21.649 -5.075 9.246 209 HD2 HIS 31 HD2 HIS 31 20.713 -8.624 7.459 210 HE1 HIS 31 HE1 HIS 31 22.030 -6.827 10.937 211 1HN CGU 32 HN CGU 32 23.123 -6.253 3.570 212 HA CGU 32 HA CGU 32 22.593 -9.047 3.167 213 1HB CGU 32 1HB CGU 32 21.158 -6.927 1.489 214 2HB CGU 32 2HB CGU 32 20.442 -8.264 2.349 215 HG CGU 32 HG CGU 32 22.214 -9.610 0.741 216 H ASP 33 H ASP 33 24.552 -9.497 2.667 217 HA ASP 33 HA ASP 33 26.075 -7.880 0.656 218 1HB ASP 33 2HB ASP 33 26.855 -7.858 3.184 219 2HB ASP 33 1HB ASP 33 27.403 -9.496 2.883 220 H VAL 34 H VAL 34 24.516 -9.571 -0.348 221 HA VAL 34 HA VAL 34 25.981 -12.100 -0.918 222 HB VAL 34 HB VAL 34 23.002 -11.548 -1.287 223 1HG1 VAL 34 1HG1 VAL 34 23.952 -13.404 -2.673 224 2HG1 VAL 34 3HG1 VAL 34 24.558 -14.176 -1.216 225 3HG1 VAL 34 2HG1 VAL 34 22.829 -13.999 -1.468 226 1HG2 VAL 34 1HG2 VAL 34 24.459 -12.832 1.065 227 2HG2 VAL 34 3HG2 VAL 34 23.425 -11.415 1.105 228 3HG2 VAL 34 2HG2 VAL 34 22.730 -12.991 0.789 No H/Q in entry = 228 Start of MODEL 14 1 1H ALA 1 2H ALA 1 9.174 10.407 3.486 2 2H ALA 1 1H ALA 1 8.703 10.831 1.910 3 3H ALA 1 3H ALA 1 7.526 10.590 3.112 4 HA ALA 1 HA ALA 1 8.022 8.274 3.229 5 1HB ALA 1 2HB ALA 1 6.446 9.058 1.427 6 2HB ALA 1 1HB ALA 1 7.803 9.165 0.316 7 3HB ALA 1 3HB ALA 1 7.308 7.603 0.954 8 H CYS 2 H CYS 2 9.111 6.445 2.089 9 HA CYS 2 HA CYS 2 11.876 7.116 1.218 10 1HB CYS 2 2HB CYS 2 12.492 4.989 2.372 11 2HB CYS 2 1HB CYS 2 12.095 6.266 3.463 12 H SER 3 H SER 3 12.887 5.129 0.182 13 HA SER 3 HA SER 3 10.960 4.072 -1.840 14 1HB SER 3 2HB SER 3 13.857 4.821 -1.923 15 2HB SER 3 1HB SER 3 13.468 3.317 -2.750 16 HG SER 3 HG SER 3 12.057 4.279 -3.959 17 H GLY 4 H GLY 4 11.479 1.855 -2.646 18 1HA GLY 4 2HA GLY 4 12.027 -0.002 -0.357 19 2HA GLY 4 1HA GLY 4 10.765 -0.287 -1.545 20 H ARG 5 H ARG 5 12.584 -2.237 -1.189 21 HA ARG 5 HA ARG 5 14.883 -2.058 -2.908 22 1HB ARG 5 2HB ARG 5 14.465 -3.718 -0.963 23 2HB ARG 5 1HB ARG 5 13.429 -4.615 -2.046 24 1HG ARG 5 2HG ARG 5 15.862 -4.169 -3.500 25 2HG ARG 5 1HG ARG 5 16.358 -4.551 -1.867 26 1HD ARG 5 2HD ARG 5 14.288 -6.319 -3.188 27 2HD ARG 5 1HD ARG 5 15.982 -6.495 -3.632 28 HE ARG 5 HE ARG 5 15.615 -6.439 -0.754 29 1HH1 ARG 5 2HH1 ARG 5 17.688 -8.108 -1.909 30 2HH1 ARG 5 1HH1 ARG 5 17.025 -9.704 -1.830 31 1HH2 ARG 5 1HH2 ARG 5 13.750 -8.544 -1.399 32 2HH2 ARG 5 2HH2 ARG 5 14.741 -9.959 -1.543 33 H GLY 6 H GLY 6 14.031 -1.173 -4.760 34 1HA GLY 6 2HA GLY 6 13.693 -2.634 -7.026 35 2HA GLY 6 1HA GLY 6 12.042 -2.551 -6.414 36 H SER 7 H SER 7 13.273 0.167 -5.247 37 HA SER 7 HA SER 7 13.006 1.820 -7.711 38 1HB SER 7 2HB SER 7 11.539 3.430 -6.398 39 2HB SER 7 1HB SER 7 10.761 1.849 -6.565 40 HG SER 7 HG SER 7 11.906 3.052 -4.350 41 H ARG 8 H ARG 8 14.396 3.426 -7.775 42 HA ARG 8 HA ARG 8 16.625 3.544 -5.987 43 1HB ARG 8 2HB ARG 8 17.374 5.328 -7.444 44 2HB ARG 8 1HB ARG 8 16.738 4.017 -8.381 45 1HG ARG 8 2HG ARG 8 14.910 6.341 -7.667 46 2HG ARG 8 1HG ARG 8 16.046 6.469 -8.978 47 1HD ARG 8 2HD ARG 8 14.400 5.568 -10.264 48 2HD ARG 8 1HD ARG 8 14.876 4.028 -9.569 49 HE ARG 8 HE ARG 8 13.118 4.520 -7.764 50 1HH1 ARG 8 2HH1 ARG 8 11.970 6.956 -8.148 51 2HH1 ARG 8 1HH1 ARG 8 10.735 6.762 -9.348 52 1HH2 ARG 8 1HH2 ARG 8 12.067 3.724 -10.494 53 2HH2 ARG 8 2HH2 ARG 8 10.786 4.872 -10.714 54 H CYS 9 H CYS 9 17.331 6.068 -5.701 55 HA CYS 9 HA CYS 9 15.349 7.204 -3.839 56 1HB CYS 9 2HB CYS 9 17.164 7.939 -2.460 57 2HB CYS 9 1HB CYS 9 17.400 6.250 -2.790 58 HA HYP 10 HA HYP 10 15.081 8.970 -2.792 59 1HB HYP 10 1HB HYP 10 14.891 11.103 -2.129 60 2HB HYP 10 2HB HYP 10 13.419 11.236 -3.075 61 1HD HYP 10 1HD1 HYP 10 16.921 11.250 -5.313 62 2HD HYP 10 2HD1 HYP 10 15.374 11.086 -6.159 63 HOD HYP 10 HD2 HYP 10 16.687 13.155 -4.006 64 HG HYP 10 HG HYP 10 14.575 12.668 -4.599 65 HA HYP 11 HA HYP 11 12.626 10.072 -1.623 66 1HB HYP 11 1HB HYP 11 10.597 9.556 -0.768 67 2HB HYP 11 2HB HYP 11 11.065 7.878 -0.568 68 1HD HYP 11 1HD1 HYP 11 10.650 8.943 -4.509 69 2HD HYP 11 2HD1 HYP 11 11.136 7.284 -4.147 70 HOD HYP 11 HD2 HYP 11 9.714 10.150 -2.745 71 HG HYP 11 HG HYP 11 9.626 7.335 -2.330 72 H GLN 12 H GLN 12 14.298 9.713 -0.241 73 HA GLN 12 HA GLN 12 16.294 7.872 -0.511 74 1HB GLN 12 2HB GLN 12 15.975 9.871 1.203 75 2HB GLN 12 1HB GLN 12 15.479 8.618 2.317 76 1HG GLN 12 2HG GLN 12 18.117 8.588 0.763 77 2HG GLN 12 1HG GLN 12 17.961 9.159 2.415 78 1HE2 GLN 12 2HE2 GLN 12 17.452 5.853 3.755 79 2HE2 GLN 12 1HE2 GLN 12 16.992 7.470 3.998 80 H CYS 13 H CYS 13 16.468 5.747 -0.410 81 HA CYS 13 HA CYS 13 14.467 3.926 0.085 82 1HB CYS 13 2HB CYS 13 17.178 3.098 0.979 83 2HB CYS 13 1HB CYS 13 16.036 2.306 -0.059 84 H CYS 14 H CYS 14 13.589 2.904 1.672 85 HA CYS 14 HA CYS 14 13.387 3.936 4.260 86 1HB CYS 14 2HB CYS 14 12.801 1.141 3.268 87 2HB CYS 14 1HB CYS 14 12.145 1.814 4.726 88 H MET 15 H MET 15 13.718 2.682 6.291 89 HA MET 15 HA MET 15 16.445 2.388 6.854 90 1HB MET 15 2HB MET 15 14.499 2.762 8.495 91 2HB MET 15 1HB MET 15 14.188 1.043 8.403 92 1HG MET 15 2HG MET 15 16.958 1.203 8.901 93 2HG MET 15 1HG MET 15 16.288 2.500 9.842 94 1HE MET 15 1HE MET 15 15.492 -1.239 8.958 95 2HE MET 15 3HE MET 15 17.140 -1.160 9.626 96 3HE MET 15 2HE MET 15 15.857 -1.973 10.505 97 H GLY 16 H GLY 16 17.843 0.833 6.577 98 1HA GLY 16 2HA GLY 16 18.573 -1.465 6.671 99 2HA GLY 16 1HA GLY 16 16.977 -1.955 6.111 100 H LEU 17 H LEU 17 16.857 0.186 4.101 101 HA LEU 17 HA LEU 17 18.383 -1.147 2.019 102 1HB LEU 17 2HB LEU 17 16.416 1.161 1.844 103 2HB LEU 17 1HB LEU 17 17.135 0.384 0.461 104 HG LEU 17 HG LEU 17 15.065 -0.695 2.370 105 1HD1 LEU 17 1HD1 LEU 17 14.320 0.699 0.502 106 2HD1 LEU 17 3HD1 LEU 17 15.084 -0.410 -0.631 107 3HD1 LEU 17 2HD1 LEU 17 13.748 -0.957 0.376 108 1HD2 LEU 17 2HD2 LEU 17 16.730 -2.563 1.902 109 2HD2 LEU 17 1HD2 LEU 17 15.145 -2.862 1.222 110 3HD2 LEU 17 3HD2 LEU 17 16.439 -2.314 0.182 111 H ARG 18 H ARG 18 19.286 0.116 0.328 112 HA ARG 18 HA ARG 18 20.610 2.663 0.982 113 1HB ARG 18 2HB ARG 18 22.680 1.465 -0.175 114 2HB ARG 18 1HB ARG 18 22.433 1.338 1.551 115 1HG ARG 18 2HG ARG 18 21.555 -0.859 1.358 116 2HG ARG 18 1HG ARG 18 21.224 -0.706 -0.346 117 1HD ARG 18 2HD ARG 18 24.023 -0.827 0.862 118 2HD ARG 18 1HD ARG 18 23.210 -2.149 0.024 119 HE ARG 18 HE ARG 18 23.222 0.180 -1.637 120 1HH1 ARG 18 2HH1 ARG 18 26.038 0.016 -0.543 121 2HH1 ARG 18 1HH1 ARG 18 26.824 -0.963 -1.737 122 1HH2 ARG 18 1HH2 ARG 18 23.797 -2.083 -3.100 123 2HH2 ARG 18 2HH2 ARG 18 25.521 -2.181 -3.222 124 H CYS 19 H CYS 19 21.123 3.766 -0.836 125 HA CYS 19 HA CYS 19 19.498 3.238 -3.198 126 1HB CYS 19 2HB CYS 19 20.136 5.498 -2.142 127 2HB CYS 19 1HB CYS 19 21.649 5.357 -2.985 128 H GLY 20 H GLY 20 20.182 1.448 -4.311 129 1HA GLY 20 2HA GLY 20 22.937 0.862 -4.945 130 2HA GLY 20 1HA GLY 20 21.521 0.085 -5.651 131 H ARG 21 H ARG 21 24.100 1.460 -6.560 132 HA ARG 21 HA ARG 21 24.165 3.588 -8.057 133 1HB ARG 21 2HB ARG 21 25.527 2.369 -9.715 134 2HB ARG 21 1HB ARG 21 25.884 1.852 -8.087 135 1HG ARG 21 2HG ARG 21 23.741 0.259 -9.486 136 2HG ARG 21 1HG ARG 21 25.344 0.123 -10.165 137 1HD ARG 21 2HD ARG 21 24.895 -0.213 -7.174 138 2HD ARG 21 1HD ARG 21 24.685 -1.553 -8.291 139 HE ARG 21 HE ARG 21 27.252 -0.035 -8.003 140 1HH1 ARG 21 1HH2 ARG 21 27.256 -1.636 -10.391 141 2HH1 ARG 21 2HH2 ARG 21 27.811 -3.192 -9.869 142 1HH2 ARG 21 2HH1 ARG 21 27.138 -2.516 -6.497 143 2HH2 ARG 21 1HH1 ARG 21 27.741 -3.703 -7.604 144 H GLY 22 H GLY 22 23.767 4.438 -9.872 145 1HA GLY 22 2HA GLY 22 21.204 4.255 -11.068 146 2HA GLY 22 1HA GLY 22 22.485 5.313 -11.573 147 H ASN 23 H ASN 23 22.097 1.785 -11.606 148 HA ASN 23 HA ASN 23 21.748 1.769 -14.440 149 1HB ASN 23 2HB ASN 23 24.444 1.833 -13.453 150 2HB ASN 23 1HB ASN 23 24.209 0.168 -13.932 151 1HD2 ASN 23 2HD2 ASN 23 23.983 0.903 -17.394 152 2HD2 ASN 23 1HD2 ASN 23 23.667 -0.260 -16.196 153 HA PRO 24 HA PRO 24 19.811 1.750 -14.077 154 1HB PRO 24 2HB PRO 24 17.293 0.705 -13.816 155 2HB PRO 24 1HB PRO 24 18.240 0.640 -15.297 156 1HG PRO 24 2HG PRO 24 17.590 -1.567 -13.422 157 2HG PRO 24 1HG PRO 24 18.145 -1.670 -15.086 158 1HD PRO 24 2HD PRO 24 19.731 -2.029 -12.670 159 2HD PRO 24 1HD PRO 24 20.291 -2.129 -14.349 160 H GLN 25 H GLN 25 19.883 3.147 -12.406 161 HA GLN 25 HA GLN 25 20.032 3.080 -9.794 162 1HB GLN 25 2HB GLN 25 18.780 4.947 -11.595 163 2HB GLN 25 1HB GLN 25 17.740 4.865 -10.198 164 1HG GLN 25 2HG GLN 25 20.356 4.966 -9.129 165 2HG GLN 25 1HG GLN 25 20.415 6.075 -10.471 166 1HE2 GLN 25 2HE2 GLN 25 17.829 8.228 -9.042 167 2HE2 GLN 25 1HE2 GLN 25 18.190 7.496 -10.532 168 H LYS 26 H LYS 26 19.365 1.871 -8.277 169 HA LYS 26 HA LYS 26 16.518 1.628 -7.615 170 1HB LYS 26 2HB LYS 26 17.900 -0.541 -9.091 171 2HB LYS 26 1HB LYS 26 17.125 -1.113 -7.635 172 1HG LYS 26 2HG LYS 26 15.004 -0.568 -8.325 173 2HG LYS 26 1HG LYS 26 15.510 0.661 -9.460 174 1HD LYS 26 2HD LYS 26 16.625 -1.300 -10.783 175 2HD LYS 26 1HD LYS 26 15.673 -2.357 -9.756 176 1HE LYS 26 2HE LYS 26 13.590 -1.200 -10.516 177 2HE LYS 26 1HE LYS 26 14.558 -0.165 -11.558 178 1HZ LYS 26 1HZ LYS 26 14.496 -3.119 -11.720 179 2HZ LYS 26 3HZ LYS 26 13.588 -2.075 -12.707 180 3HZ LYS 26 2HZ LYS 26 15.287 -2.055 -12.783 181 H CYS 27 H CYS 27 16.149 1.176 -5.389 182 HA CYS 27 HA CYS 27 18.531 1.056 -3.760 183 1HB CYS 27 2HB CYS 27 15.671 0.707 -2.725 184 2HB CYS 27 1HB CYS 27 17.110 1.063 -1.873 185 H ILE 28 H ILE 28 19.073 -0.600 -2.381 186 HA ILE 28 HA ILE 28 17.774 -3.249 -2.665 187 HB ILE 28 HB ILE 28 20.002 -4.289 -2.849 188 1HG1 ILE 28 2HG1 ILE 28 21.199 -2.405 -1.586 189 2HG1 ILE 28 1HG1 ILE 28 22.012 -3.108 -2.928 190 1HG2 ILE 28 1HG2 ILE 28 19.448 -2.226 -5.017 191 2HG2 ILE 28 3HG2 ILE 28 20.658 -3.488 -5.158 192 3HG2 ILE 28 2HG2 ILE 28 18.966 -3.910 -4.975 193 1HD1 ILE 28 1HD1 ILE 28 20.511 -0.796 -3.851 194 2HD1 ILE 28 3HD1 ILE 28 21.618 -0.392 -2.559 195 3HD1 ILE 28 2HD1 ILE 28 22.211 -1.190 -4.000 196 H GLY 29 H GLY 29 19.369 -4.564 -0.877 197 1HA GLY 29 2HA GLY 29 18.989 -2.961 1.578 198 2HA GLY 29 1HA GLY 29 18.958 -4.689 1.543 199 H ALA 30 H ALA 30 20.568 -2.641 3.009 200 HA ALA 30 HA ALA 30 23.339 -2.979 2.131 201 1HB ALA 30 3HB ALA 30 22.129 -1.926 4.735 202 2HB ALA 30 2HB ALA 30 23.841 -1.850 4.342 203 3HB ALA 30 1HB ALA 30 22.679 -0.941 3.390 204 H HIS 31 H HIS 31 21.272 -4.049 4.713 205 HA HIS 31 HA HIS 31 23.109 -6.216 5.559 206 1HB HIS 31 2HB HIS 31 20.646 -4.857 6.692 207 2HB HIS 31 1HB HIS 31 21.087 -6.442 7.308 208 HD1 HIS 31 HD1 HIS 31 22.634 -6.242 9.216 209 HD2 HIS 31 HD2 HIS 31 23.182 -3.079 6.692 210 HE1 HIS 31 HE1 HIS 31 24.379 -4.830 10.240 211 1HN CGU 32 HN CGU 32 22.102 -6.419 3.028 212 HA CGU 32 HA CGU 32 19.984 -8.508 3.086 213 1HB CGU 32 1HB CGU 32 21.268 -7.381 0.573 214 2HB CGU 32 2HB CGU 32 20.251 -6.343 1.534 215 HG CGU 32 HG CGU 32 18.442 -8.073 1.401 216 H ASP 33 H ASP 33 22.475 -8.967 4.213 217 HA ASP 33 HA ASP 33 24.266 -10.424 4.297 218 1HB ASP 33 2HB ASP 33 22.215 -11.955 4.062 219 2HB ASP 33 1HB ASP 33 22.552 -12.046 2.346 220 H VAL 34 H VAL 34 24.408 -8.352 2.459 221 HA VAL 34 HA VAL 34 26.292 -9.446 0.412 222 HB VAL 34 HB VAL 34 24.271 -7.167 0.066 223 1HG1 VAL 34 3HG1 VAL 34 26.472 -8.174 -1.795 224 2HG1 VAL 34 2HG1 VAL 34 25.181 -7.094 -2.303 225 3HG1 VAL 34 1HG1 VAL 34 26.339 -6.566 -1.097 226 1HG2 VAL 34 3HG2 VAL 34 24.010 -9.994 -0.442 227 2HG2 VAL 34 2HG2 VAL 34 22.889 -8.714 -0.857 228 3HG2 VAL 34 1HG2 VAL 34 24.122 -9.202 -1.996 No H/Q in entry = 228 Start of MODEL 15 1 1H ALA 1 3H ALA 1 9.733 10.677 3.312 2 2H ALA 1 2H ALA 1 8.161 10.514 3.935 3 3H ALA 1 1H ALA 1 9.411 9.517 4.511 4 HA ALA 1 HA ALA 1 8.076 8.238 3.046 5 1HB ALA 1 3HB ALA 1 7.276 10.391 1.816 6 2HB ALA 1 2HB ALA 1 8.717 10.226 0.829 7 3HB ALA 1 1HB ALA 1 7.502 8.954 0.831 8 H CYS 2 H CYS 2 9.141 6.558 2.043 9 HA CYS 2 HA CYS 2 11.936 7.003 1.146 10 1HB CYS 2 2HB CYS 2 12.483 4.878 2.181 11 2HB CYS 2 1HB CYS 2 12.036 6.054 3.370 12 H SER 3 H SER 3 12.797 5.052 0.055 13 HA SER 3 HA SER 3 10.847 4.082 -2.004 14 1HB SER 3 2HB SER 3 13.811 4.726 -2.054 15 2HB SER 3 1HB SER 3 13.208 3.478 -3.148 16 HG SER 3 HG SER 3 11.868 5.953 -2.834 17 H GLY 4 H GLY 4 10.864 1.855 -2.543 18 1HA GLY 4 2HA GLY 4 11.789 0.084 -0.320 19 2HA GLY 4 1HA GLY 4 10.527 -0.301 -1.481 20 H ARG 5 H ARG 5 12.282 -2.224 -1.202 21 HA ARG 5 HA ARG 5 14.633 -2.007 -2.864 22 1HB ARG 5 2HB ARG 5 13.910 -3.785 -0.958 23 2HB ARG 5 1HB ARG 5 13.292 -4.680 -2.325 24 1HG ARG 5 2HG ARG 5 15.630 -4.372 -3.398 25 2HG ARG 5 1HG ARG 5 16.139 -3.726 -1.846 26 1HD ARG 5 2HD ARG 5 16.666 -6.143 -1.975 27 2HD ARG 5 1HD ARG 5 15.438 -5.859 -0.740 28 HE ARG 5 HE ARG 5 14.264 -6.400 -3.338 29 1HH1 ARG 5 1HH2 ARG 5 12.626 -7.486 -1.512 30 2HH1 ARG 5 2HH2 ARG 5 13.133 -9.118 -1.225 31 1HH2 ARG 5 2HH1 ARG 5 16.316 -8.581 -2.586 32 2HH2 ARG 5 1HH1 ARG 5 15.274 -9.754 -1.850 33 H GLY 6 H GLY 6 13.938 -1.120 -4.718 34 1HA GLY 6 2HA GLY 6 13.629 -2.441 -7.034 35 2HA GLY 6 1HA GLY 6 11.958 -2.435 -6.470 36 H SER 7 H SER 7 13.125 0.254 -5.164 37 HA SER 7 HA SER 7 12.670 2.020 -7.536 38 1HB SER 7 2HB SER 7 11.620 2.387 -4.667 39 2HB SER 7 1HB SER 7 11.430 3.566 -5.977 40 HG SER 7 HG SER 7 10.439 1.873 -7.191 41 H ARG 8 H ARG 8 14.050 3.819 -7.582 42 HA ARG 8 HA ARG 8 16.446 3.584 -5.896 43 1HB ARG 8 2HB ARG 8 17.334 5.374 -7.384 44 2HB ARG 8 1HB ARG 8 16.735 3.989 -8.251 45 1HG ARG 8 2HG ARG 8 14.566 5.887 -7.899 46 2HG ARG 8 1HG ARG 8 15.950 6.723 -8.548 47 1HD ARG 8 2HD ARG 8 16.145 4.873 -10.322 48 2HD ARG 8 1HD ARG 8 14.565 4.304 -9.775 49 HE ARG 8 HE ARG 8 14.102 6.966 -10.243 50 1HH1 ARG 8 2HH1 ARG 8 16.557 6.303 -12.111 51 2HH1 ARG 8 1HH1 ARG 8 15.724 6.128 -13.616 52 1HH2 ARG 8 1HH2 ARG 8 12.579 5.935 -12.110 53 2HH2 ARG 8 2HH2 ARG 8 13.435 5.916 -13.617 54 H CYS 9 H CYS 9 17.360 5.996 -5.561 55 HA CYS 9 HA CYS 9 15.431 7.281 -3.744 56 1HB CYS 9 2HB CYS 9 17.273 7.946 -2.383 57 2HB CYS 9 1HB CYS 9 17.446 6.251 -2.725 58 HA HYP 10 HA HYP 10 15.202 8.998 -2.688 59 1HB HYP 10 1HB HYP 10 15.097 11.088 -1.932 60 2HB HYP 10 2HB HYP 10 13.631 11.322 -2.870 61 1HD HYP 10 1HD1 HYP 10 17.166 11.299 -5.065 62 2HD HYP 10 2HD1 HYP 10 15.639 11.239 -5.958 63 HOD HYP 10 HD2 HYP 10 16.261 13.409 -2.885 64 HG HYP 10 HG HYP 10 14.844 12.766 -4.349 65 HA HYP 11 HA HYP 11 12.775 10.076 -1.496 66 1HB HYP 11 1HB HYP 11 10.674 9.591 -0.828 67 2HB HYP 11 2HB HYP 11 11.189 7.963 -0.448 68 1HD HYP 11 1HD1 HYP 11 10.721 9.178 -4.322 69 2HD HYP 11 2HD1 HYP 11 11.290 7.503 -4.288 70 HOD HYP 11 HD2 HYP 11 9.459 9.862 -2.587 71 HG HYP 11 HG HYP 11 10.078 7.097 -2.310 72 H GLN 12 H GLN 12 14.366 9.637 -0.098 73 HA GLN 12 HA GLN 12 16.413 7.855 -0.419 74 1HB GLN 12 2HB GLN 12 15.239 8.927 2.174 75 2HB GLN 12 1HB GLN 12 16.738 8.017 2.133 76 1HG GLN 12 2HG GLN 12 17.670 9.715 0.493 77 2HG GLN 12 1HG GLN 12 16.198 10.657 0.699 78 1HE2 GLN 12 2HE2 GLN 12 17.164 11.971 3.827 79 2HE2 GLN 12 1HE2 GLN 12 15.960 11.883 2.634 80 H CYS 13 H CYS 13 16.679 5.698 -0.339 81 HA CYS 13 HA CYS 13 14.600 3.888 -0.012 82 1HB CYS 13 2HB CYS 13 17.284 2.951 0.905 83 2HB CYS 13 1HB CYS 13 16.118 2.229 -0.147 84 H CYS 14 H CYS 14 13.692 2.824 1.487 85 HA CYS 14 HA CYS 14 13.394 3.743 4.104 86 1HB CYS 14 2HB CYS 14 12.838 0.955 3.061 87 2HB CYS 14 1HB CYS 14 12.096 1.688 4.455 88 H MET 15 H MET 15 13.649 2.479 6.090 89 HA MET 15 HA MET 15 16.327 2.127 6.786 90 1HB MET 15 2HB MET 15 14.329 2.510 8.329 91 2HB MET 15 1HB MET 15 13.936 0.812 8.160 92 1HG MET 15 2HG MET 15 16.689 1.676 9.058 93 2HG MET 15 1HG MET 15 15.374 1.618 10.193 94 1HE MET 15 2HE MET 15 13.762 -0.764 10.094 95 2HE MET 15 1HE MET 15 14.717 -1.997 10.887 96 3HE MET 15 3HE MET 15 14.717 -0.371 11.546 97 H GLY 16 H GLY 16 17.727 0.620 6.454 98 1HA GLY 16 2HA GLY 16 18.478 -1.677 6.568 99 2HA GLY 16 1HA GLY 16 16.901 -2.176 5.960 100 H LEU 17 H LEU 17 16.793 -0.045 3.967 101 HA LEU 17 HA LEU 17 18.388 -1.342 1.913 102 1HB LEU 17 2HB LEU 17 16.406 0.952 1.709 103 2HB LEU 17 1HB LEU 17 17.162 0.191 0.337 104 HG LEU 17 HG LEU 17 15.125 -0.970 2.262 105 1HD1 LEU 17 3HD1 LEU 17 14.305 0.517 0.488 106 2HD1 LEU 17 2HD1 LEU 17 15.001 -0.545 -0.727 107 3HD1 LEU 17 1HD1 LEU 17 13.711 -1.124 0.320 108 1HD2 LEU 17 2HD2 LEU 17 16.773 -2.792 1.670 109 2HD2 LEU 17 1HD2 LEU 17 15.187 -3.082 0.990 110 3HD2 LEU 17 3HD2 LEU 17 16.469 -2.467 -0.032 111 H ARG 18 H ARG 18 19.320 -0.026 0.254 112 HA ARG 18 HA ARG 18 20.611 2.519 0.995 113 1HB ARG 18 2HB ARG 18 22.689 1.395 -0.192 114 2HB ARG 18 1HB ARG 18 22.440 1.170 1.527 115 1HG ARG 18 2HG ARG 18 21.549 -1.022 1.192 116 2HG ARG 18 1HG ARG 18 21.291 -0.770 -0.511 117 1HD ARG 18 2HD ARG 18 24.098 -0.710 0.666 118 2HD ARG 18 1HD ARG 18 23.345 -2.206 0.115 119 HE ARG 18 HE ARG 18 23.210 -0.027 -1.822 120 1HH1 ARG 18 2HH1 ARG 18 23.861 -3.233 -1.530 121 2HH1 ARG 18 1HH1 ARG 18 25.241 -3.264 -2.577 122 1HH2 ARG 18 1HH2 ARG 18 25.470 0.224 -2.731 123 2HH2 ARG 18 2HH2 ARG 18 26.177 -1.264 -3.265 124 H CYS 19 H CYS 19 21.242 3.628 -0.865 125 HA CYS 19 HA CYS 19 19.551 3.108 -3.203 126 1HB CYS 19 2HB CYS 19 20.080 5.356 -2.115 127 2HB CYS 19 1HB CYS 19 21.622 5.292 -2.908 128 H GLY 20 H GLY 20 20.253 1.421 -4.445 129 1HA GLY 20 2HA GLY 20 23.068 0.999 -5.092 130 2HA GLY 20 1HA GLY 20 21.696 0.091 -5.724 131 H ARG 21 H ARG 21 23.891 2.614 -6.395 132 HA ARG 21 HA ARG 21 22.469 4.062 -8.361 133 1HB ARG 21 2HB ARG 21 25.372 3.634 -7.688 134 2HB ARG 21 1HB ARG 21 25.016 4.344 -9.245 135 1HG ARG 21 2HG ARG 21 25.201 6.239 -7.860 136 2HG ARG 21 1HG ARG 21 23.467 5.998 -7.925 137 1HD ARG 21 2HD ARG 21 23.582 4.739 -5.760 138 2HD ARG 21 1HD ARG 21 25.322 5.029 -5.702 139 HE ARG 21 HE ARG 21 23.737 7.468 -5.989 140 1HH1 ARG 21 2HH1 ARG 21 23.398 5.347 -3.565 141 2HH1 ARG 21 1HH1 ARG 21 24.167 6.275 -2.323 142 1HH2 ARG 21 1HH2 ARG 21 25.475 8.599 -4.595 143 2HH2 ARG 21 2HH2 ARG 21 25.376 8.161 -2.922 144 H GLY 22 H GLY 22 22.083 3.752 -10.465 145 1HA GLY 22 2HA GLY 22 23.463 1.879 -12.176 146 2HA GLY 22 1HA GLY 22 21.909 1.225 -11.646 147 H ASN 23 H ASN 23 21.000 1.348 -13.729 148 HA ASN 23 HA ASN 23 19.883 3.952 -14.376 149 1HB ASN 23 2HB ASN 23 22.330 3.581 -15.517 150 2HB ASN 23 1HB ASN 23 21.361 2.799 -16.750 151 1HD2 ASN 23 2HD2 ASN 23 21.260 6.824 -16.346 152 2HD2 ASN 23 1HD2 ASN 23 22.213 5.854 -15.331 153 HA PRO 24 HA PRO 24 17.956 4.230 -14.003 154 1HB PRO 24 2HB PRO 24 15.628 3.188 -12.909 155 2HB PRO 24 1HB PRO 24 15.730 4.252 -14.303 156 1HG PRO 24 2HG PRO 24 15.123 1.365 -14.260 157 2HG PRO 24 1HG PRO 24 14.843 2.537 -15.541 158 1HD PRO 24 2HD PRO 24 16.935 0.572 -15.454 159 2HD PRO 24 1HD PRO 24 16.758 1.869 -16.646 160 H GLN 25 H GLN 25 18.561 4.486 -11.918 161 HA GLN 25 HA GLN 25 19.930 2.446 -10.483 162 1HB GLN 25 2HB GLN 25 18.670 4.764 -8.999 163 2HB GLN 25 1HB GLN 25 20.216 4.009 -8.724 164 1HG GLN 25 2HG GLN 25 21.140 5.730 -9.890 165 2HG GLN 25 1HG GLN 25 20.437 5.048 -11.341 166 1HE2 GLN 25 2HE2 GLN 25 19.007 8.528 -10.021 167 2HE2 GLN 25 1HE2 GLN 25 20.435 7.832 -9.421 168 H LYS 26 H LYS 26 19.325 1.675 -8.248 169 HA LYS 26 HA LYS 26 16.505 1.492 -7.543 170 1HB LYS 26 2HB LYS 26 17.799 -0.626 -9.153 171 2HB LYS 26 1HB LYS 26 17.140 -1.266 -7.664 172 1HG LYS 26 2HG LYS 26 14.949 -0.292 -8.170 173 2HG LYS 26 1HG LYS 26 15.566 0.418 -9.648 174 1HD LYS 26 2HD LYS 26 16.265 -1.997 -10.316 175 2HD LYS 26 1HD LYS 26 15.223 -2.532 -9.008 176 1HE LYS 26 2HE LYS 26 13.267 -1.653 -10.058 177 2HE LYS 26 1HE LYS 26 14.197 -0.639 -11.154 178 1HZ LYS 26 2HZ LYS 26 14.514 -3.557 -11.208 179 2HZ LYS 26 1HZ LYS 26 13.204 -2.821 -11.998 180 3HZ LYS 26 3HZ LYS 26 14.796 -2.418 -12.436 181 H CYS 27 H CYS 27 16.225 1.076 -5.369 182 HA CYS 27 HA CYS 27 18.600 0.915 -3.765 183 1HB CYS 27 2HB CYS 27 15.712 0.613 -2.778 184 2HB CYS 27 1HB CYS 27 17.136 0.929 -1.871 185 H ILE 28 H ILE 28 19.231 -0.734 -2.478 186 HA ILE 28 HA ILE 28 17.968 -3.418 -2.751 187 HB ILE 28 HB ILE 28 20.250 -4.383 -2.892 188 1HG1 ILE 28 2HG1 ILE 28 21.412 -2.451 -1.725 189 2HG1 ILE 28 1HG1 ILE 28 22.197 -3.104 -3.111 190 1HG2 ILE 28 3HG2 ILE 28 19.424 -2.478 -5.096 191 2HG2 ILE 28 2HG2 ILE 28 20.850 -3.490 -5.246 192 3HG2 ILE 28 1HG2 ILE 28 19.276 -4.223 -5.019 193 1HD1 ILE 28 3HD1 ILE 28 20.642 -0.967 -4.137 194 2HD1 ILE 28 2HD1 ILE 28 21.400 -0.397 -2.662 195 3HD1 ILE 28 1HD1 ILE 28 22.385 -1.060 -3.942 196 H GLY 29 H GLY 29 19.679 -4.703 -0.937 197 1HA GLY 29 2HA GLY 29 19.104 -3.168 1.506 198 2HA GLY 29 1HA GLY 29 19.284 -4.881 1.439 199 H ALA 30 H ALA 30 20.572 -2.663 2.968 200 HA ALA 30 HA ALA 30 23.444 -2.836 2.287 201 1HB ALA 30 1HB ALA 30 21.704 -1.148 4.086 202 2HB ALA 30 3HB ALA 30 23.375 -1.374 4.579 203 3HB ALA 30 2HB ALA 30 23.011 -0.645 3.027 204 H HIS 31 H HIS 31 21.086 -3.695 4.654 205 HA HIS 31 HA HIS 31 22.947 -5.305 6.297 206 1HB HIS 31 2HB HIS 31 20.908 -3.783 7.085 207 2HB HIS 31 1HB HIS 31 19.925 -5.176 6.680 208 HD1 HIS 31 HD1 HIS 31 20.494 -4.123 9.584 209 HD2 HIS 31 HD2 HIS 31 22.339 -7.367 7.923 210 HE1 HIS 31 HE1 HIS 31 21.279 -5.514 11.464 211 1HN CGU 32 HN CGU 32 22.807 -6.095 3.715 212 HA CGU 32 HA CGU 32 21.307 -8.672 3.764 213 1HB CGU 32 1HB CGU 32 22.091 -6.915 1.398 214 2HB CGU 32 2HB CGU 32 20.492 -6.956 2.107 215 HG CGU 32 HG CGU 32 21.841 -9.398 0.953 216 H ASP 33 H ASP 33 23.250 -9.347 4.958 217 HA ASP 33 HA ASP 33 25.721 -9.645 3.362 218 1HB ASP 33 2HB ASP 33 25.503 -9.063 5.959 219 2HB ASP 33 1HB ASP 33 25.316 -10.798 6.148 220 H VAL 34 H VAL 34 23.404 -10.947 2.479 221 HA VAL 34 HA VAL 34 24.447 -13.639 2.109 222 HB VAL 34 HB VAL 34 23.247 -13.886 4.278 223 1HG1 VAL 34 1HG1 VAL 34 21.588 -12.035 3.984 224 2HG1 VAL 34 3HG1 VAL 34 20.712 -13.027 2.824 225 3HG1 VAL 34 2HG1 VAL 34 20.841 -13.534 4.497 226 1HG2 VAL 34 1HG2 VAL 34 23.205 -15.737 2.506 227 2HG2 VAL 34 3HG2 VAL 34 21.969 -15.831 3.747 228 3HG2 VAL 34 2HG2 VAL 34 21.558 -15.237 2.147 No H/Q in entry = 228 Start of MODEL 16 1 1H ALA 1 3H ALA 1 9.146 9.145 4.273 2 2H ALA 1 2H ALA 1 7.454 9.140 4.122 3 3H ALA 1 1H ALA 1 8.332 7.706 3.878 4 HA ALA 1 HA ALA 1 7.656 8.597 1.772 5 1HB ALA 1 3HB ALA 1 7.495 10.986 2.524 6 2HB ALA 1 2HB ALA 1 9.243 11.063 2.651 7 3HB ALA 1 1HB ALA 1 8.485 10.855 1.081 8 H CYS 2 H CYS 2 9.203 6.677 2.313 9 HA CYS 2 HA CYS 2 11.881 7.187 1.112 10 1HB CYS 2 2HB CYS 2 12.479 5.055 2.286 11 2HB CYS 2 1HB CYS 2 12.139 6.329 3.400 12 H SER 3 H SER 3 12.715 4.988 0.229 13 HA SER 3 HA SER 3 10.702 3.938 -1.731 14 1HB SER 3 2HB SER 3 13.637 4.629 -1.921 15 2HB SER 3 1HB SER 3 13.051 3.303 -2.917 16 HG SER 3 HG SER 3 11.575 4.576 -3.819 17 H GLY 4 H GLY 4 10.838 1.641 -2.238 18 1HA GLY 4 2HA GLY 4 11.817 0.022 0.082 19 2HA GLY 4 1HA GLY 4 10.554 -0.469 -1.046 20 H ARG 5 H ARG 5 12.628 -2.245 -0.663 21 HA ARG 5 HA ARG 5 14.850 -1.828 -2.364 22 1HB ARG 5 2HB ARG 5 14.197 -3.848 -0.643 23 2HB ARG 5 1HB ARG 5 13.794 -4.654 -2.143 24 1HG ARG 5 2HG ARG 5 16.017 -4.235 -3.058 25 2HG ARG 5 1HG ARG 5 16.431 -3.214 -1.695 26 1HD ARG 5 2HD ARG 5 17.468 -5.267 -1.205 27 2HD ARG 5 1HD ARG 5 16.013 -5.309 -0.213 28 HE ARG 5 HE ARG 5 15.360 -6.469 -2.711 29 1HH1 ARG 5 1HH2 ARG 5 17.914 -7.757 -2.770 30 2HH1 ARG 5 2HH2 ARG 5 17.747 -9.126 -1.724 31 1HH2 ARG 5 2HH1 ARG 5 14.879 -7.857 -0.174 32 2HH2 ARG 5 1HH1 ARG 5 15.989 -9.185 -0.221 33 H GLY 6 H GLY 6 14.839 -1.469 -4.447 34 1HA GLY 6 2HA GLY 6 14.535 -2.477 -6.704 35 2HA GLY 6 1HA GLY 6 12.876 -2.858 -6.249 36 H SER 7 H SER 7 12.852 -0.168 -4.795 37 HA SER 7 HA SER 7 11.838 1.423 -7.048 38 1HB SER 7 2HB SER 7 11.954 1.902 -4.020 39 2HB SER 7 1HB SER 7 11.251 3.065 -5.157 40 HG SER 7 HG SER 7 9.592 1.783 -4.639 41 H ARG 8 H ARG 8 12.674 3.663 -7.339 42 HA ARG 8 HA ARG 8 15.589 3.667 -7.338 43 1HB ARG 8 2HB ARG 8 15.385 5.725 -8.601 44 2HB ARG 8 1HB ARG 8 14.085 4.686 -9.148 45 1HG ARG 8 2HG ARG 8 12.610 5.863 -7.381 46 2HG ARG 8 1HG ARG 8 13.895 7.022 -7.205 47 1HD ARG 8 2HD ARG 8 12.329 7.938 -8.822 48 2HD ARG 8 1HD ARG 8 13.788 7.473 -9.694 49 HE ARG 8 HE ARG 8 11.571 5.495 -9.554 50 1HH1 ARG 8 1HH2 ARG 8 13.734 5.073 -11.442 51 2HH1 ARG 8 2HH2 ARG 8 13.122 5.721 -12.929 52 1HH2 ARG 8 2HH1 ARG 8 10.603 7.550 -11.318 53 2HH2 ARG 8 1HH1 ARG 8 11.302 7.164 -12.856 54 H CYS 9 H CYS 9 16.220 6.236 -6.817 55 HA CYS 9 HA CYS 9 15.298 7.030 -4.206 56 1HB CYS 9 2HB CYS 9 17.844 6.829 -3.398 57 2HB CYS 9 1HB CYS 9 16.683 5.554 -3.191 58 HA HYP 10 HA HYP 10 15.423 8.626 -2.944 59 1HB HYP 10 1HB HYP 10 15.580 10.667 -2.051 60 2HB HYP 10 2HB HYP 10 14.199 11.159 -3.011 61 1HD HYP 10 1HD1 HYP 10 17.850 10.736 -4.966 62 2HD HYP 10 2HD1 HYP 10 16.446 10.983 -6.011 63 HOD HYP 10 HD2 HYP 10 17.593 11.201 -2.724 64 HG HYP 10 HG HYP 10 15.678 12.490 -4.381 65 HA HYP 11 HA HYP 11 12.943 9.991 -1.830 66 1HB HYP 11 1HB HYP 11 10.821 9.489 -1.237 67 2HB HYP 11 2HB HYP 11 11.311 7.837 -0.902 68 1HD HYP 11 1HD1 HYP 11 11.086 9.071 -4.815 69 2HD HYP 11 2HD1 HYP 11 11.641 7.397 -4.668 70 HOD HYP 11 HD2 HYP 11 8.907 8.933 -2.315 71 HG HYP 11 HG HYP 11 10.211 7.089 -2.820 72 H GLN 12 H GLN 12 14.484 9.586 -0.379 73 HA GLN 12 HA GLN 12 16.492 7.741 -0.526 74 1HB GLN 12 2HB GLN 12 16.298 9.683 1.104 75 2HB GLN 12 1HB GLN 12 15.294 8.669 2.124 76 1HG GLN 12 2HG GLN 12 17.135 7.052 2.406 77 2HG GLN 12 1HG GLN 12 18.131 7.936 1.255 78 1HE2 GLN 12 2HE2 GLN 12 19.072 10.443 3.573 79 2HE2 GLN 12 1HE2 GLN 12 19.051 9.981 1.939 80 H CYS 13 H CYS 13 16.695 5.567 -0.297 81 HA CYS 13 HA CYS 13 14.468 3.875 0.073 82 1HB CYS 13 2HB CYS 13 17.097 2.722 0.903 83 2HB CYS 13 1HB CYS 13 15.885 2.179 -0.188 84 H CYS 14 H CYS 14 13.589 2.887 1.734 85 HA CYS 14 HA CYS 14 13.590 4.027 4.310 86 1HB CYS 14 2HB CYS 14 12.673 1.219 3.682 87 2HB CYS 14 1HB CYS 14 12.062 2.291 4.907 88 H MET 15 H MET 15 13.831 2.640 6.331 89 HA MET 15 HA MET 15 16.561 1.995 6.683 90 1HB MET 15 2HB MET 15 14.886 2.715 8.503 91 2HB MET 15 1HB MET 15 14.196 1.108 8.433 92 1HG MET 15 2HG MET 15 15.676 0.964 10.224 93 2HG MET 15 1HG MET 15 16.600 0.258 8.938 94 1HE MET 15 2HE MET 15 18.346 1.004 7.852 95 2HE MET 15 1HE MET 15 19.047 2.609 7.852 96 3HE MET 15 3HE MET 15 19.625 1.376 8.993 97 H GLY 16 H GLY 16 17.572 0.409 5.925 98 1HA GLY 16 2HA GLY 16 17.780 -2.157 6.238 99 2HA GLY 16 1HA GLY 16 16.271 -2.156 5.297 100 H LEU 17 H LEU 17 16.583 -0.158 3.611 101 HA LEU 17 HA LEU 17 18.410 -1.268 1.714 102 1HB LEU 17 2HB LEU 17 16.451 1.008 1.642 103 2HB LEU 17 1HB LEU 17 17.306 0.470 0.210 104 HG LEU 17 HG LEU 17 15.603 -0.776 -0.182 105 1HD1 LEU 17 3HD1 LEU 17 16.332 -2.403 2.190 106 2HD1 LEU 17 2HD1 LEU 17 15.215 -2.871 0.911 107 3HD1 LEU 17 1HD1 LEU 17 16.902 -2.577 0.527 108 1HD2 LEU 17 3HD2 LEU 17 14.177 0.578 1.184 109 2HD2 LEU 17 2HD2 LEU 17 13.654 -1.096 1.196 110 3HD2 LEU 17 1HD2 LEU 17 14.518 -0.438 2.586 111 H ARG 18 H ARG 18 19.393 0.065 0.202 112 HA ARG 18 HA ARG 18 20.783 2.512 1.021 113 1HB ARG 18 2HB ARG 18 22.842 1.188 -0.163 114 2HB ARG 18 1HB ARG 18 22.593 1.195 1.567 115 1HG ARG 18 2HG ARG 18 21.690 -0.946 1.580 116 2HG ARG 18 1HG ARG 18 21.272 -0.944 -0.107 117 1HD ARG 18 2HD ARG 18 24.141 -0.984 0.937 118 2HD ARG 18 1HD ARG 18 23.281 -2.387 0.299 119 HE ARG 18 HE ARG 18 23.031 -0.520 -1.707 120 1HH1 ARG 18 2HH1 ARG 18 25.378 0.859 -1.417 121 2HH1 ARG 18 1HH1 ARG 18 26.651 -0.156 -2.012 122 1HH2 ARG 18 1HH2 ARG 18 24.690 -3.057 -1.802 123 2HH2 ARG 18 2HH2 ARG 18 26.249 -2.440 -2.241 124 H CYS 19 H CYS 19 21.303 3.652 -0.768 125 HA CYS 19 HA CYS 19 19.738 3.063 -3.165 126 1HB CYS 19 2HB CYS 19 19.876 5.304 -2.177 127 2HB CYS 19 1HB CYS 19 21.565 5.389 -2.593 128 H GLY 20 H GLY 20 20.444 1.673 -4.622 129 1HA GLY 20 2HA GLY 20 23.297 1.439 -5.328 130 2HA GLY 20 1HA GLY 20 21.968 0.466 -5.971 131 H ARG 21 H ARG 21 24.032 3.021 -6.598 132 HA ARG 21 HA ARG 21 22.536 4.729 -8.246 133 1HB ARG 21 2HB ARG 21 25.335 4.242 -7.623 134 2HB ARG 21 1HB ARG 21 25.202 4.505 -9.342 135 1HG ARG 21 2HG ARG 21 23.674 6.416 -7.583 136 2HG ARG 21 1HG ARG 21 25.419 6.517 -7.523 137 1HD ARG 21 2HD ARG 21 25.587 6.955 -9.897 138 2HD ARG 21 1HD ARG 21 23.901 6.522 -10.165 139 HE ARG 21 HE ARG 21 23.352 8.720 -9.603 140 1HH1 ARG 21 1HH2 ARG 21 23.878 8.799 -6.830 141 2HH1 ARG 21 2HH2 ARG 21 25.212 9.889 -6.644 142 1HH2 ARG 21 2HH1 ARG 21 26.122 9.659 -10.022 143 2HH2 ARG 21 1HH1 ARG 21 26.516 10.388 -8.501 144 H GLY 22 H GLY 22 22.238 4.875 -10.439 145 1HA GLY 22 2HA GLY 22 23.092 3.202 -12.503 146 2HA GLY 22 1HA GLY 22 21.679 2.396 -11.813 147 H ASN 23 H ASN 23 20.636 2.732 -13.830 148 HA ASN 23 HA ASN 23 19.113 5.219 -13.909 149 1HB ASN 23 2HB ASN 23 21.131 5.890 -15.189 150 2HB ASN 23 1HB ASN 23 20.934 4.509 -16.258 151 1HD2 ASN 23 2HD2 ASN 23 18.338 7.679 -16.575 152 2HD2 ASN 23 1HD2 ASN 23 19.195 7.443 -15.130 153 HA PRO 24 HA PRO 24 17.157 5.267 -13.527 154 1HB PRO 24 2HB PRO 24 15.092 3.819 -12.370 155 2HB PRO 24 1HB PRO 24 14.937 4.985 -13.677 156 1HG PRO 24 2HG PRO 24 14.770 2.035 -13.816 157 2HG PRO 24 1HG PRO 24 14.203 3.227 -14.976 158 1HD PRO 24 2HD PRO 24 16.565 1.615 -15.211 159 2HD PRO 24 1HD PRO 24 16.115 2.965 -16.264 160 H GLN 25 H GLN 25 17.825 5.479 -11.440 161 HA GLN 25 HA GLN 25 19.590 3.598 -10.243 162 1HB GLN 25 2HB GLN 25 17.972 5.779 -8.839 163 2HB GLN 25 1HB GLN 25 19.400 4.991 -8.186 164 1HG GLN 25 2HG GLN 25 20.714 5.842 -10.161 165 2HG GLN 25 1HG GLN 25 19.291 6.729 -10.688 166 1HE2 GLN 25 2HE2 GLN 25 21.702 8.496 -8.124 167 2HE2 GLN 25 1HE2 GLN 25 22.128 7.247 -9.191 168 H LYS 26 H LYS 26 19.273 2.300 -8.289 169 HA LYS 26 HA LYS 26 16.513 1.712 -7.474 170 1HB LYS 26 2HB LYS 26 18.207 -0.247 -9.045 171 2HB LYS 26 1HB LYS 26 16.993 -0.827 -7.919 172 1HG LYS 26 2HG LYS 26 15.363 0.791 -9.159 173 2HG LYS 26 1HG LYS 26 16.588 0.833 -10.417 174 1HD LYS 26 2HD LYS 26 16.494 -1.658 -10.581 175 2HD LYS 26 1HD LYS 26 15.221 -1.680 -9.373 176 1HE LYS 26 2HE LYS 26 15.098 -0.402 -12.139 177 2HE LYS 26 1HE LYS 26 14.137 -1.750 -11.549 178 1HZ LYS 26 3HZ LYS 26 13.393 -0.093 -9.777 179 2HZ LYS 26 2HZ LYS 26 13.961 1.094 -10.839 180 3HZ LYS 26 1HZ LYS 26 12.722 0.035 -11.338 181 H CYS 27 H CYS 27 16.383 1.267 -5.453 182 HA CYS 27 HA CYS 27 18.663 1.021 -3.762 183 1HB CYS 27 2HB CYS 27 15.753 0.510 -3.008 184 2HB CYS 27 1HB CYS 27 17.090 0.826 -1.963 185 H ILE 28 H ILE 28 19.247 -0.623 -2.501 186 HA ILE 28 HA ILE 28 18.212 -3.379 -2.950 187 HB ILE 28 HB ILE 28 20.650 -4.114 -2.838 188 1HG1 ILE 28 2HG1 ILE 28 21.168 -1.596 -1.973 189 2HG1 ILE 28 1HG1 ILE 28 22.371 -2.629 -2.660 190 1HG2 ILE 28 2HG2 ILE 28 19.795 -2.457 -5.246 191 2HG2 ILE 28 1HG2 ILE 28 21.141 -3.587 -5.242 192 3HG2 ILE 28 3HG2 ILE 28 19.507 -4.164 -4.974 193 1HD1 ILE 28 1HD1 ILE 28 20.748 -0.640 -4.250 194 2HD1 ILE 28 3HD1 ILE 28 22.321 -0.293 -3.541 195 3HD1 ILE 28 2HD1 ILE 28 22.177 -1.524 -4.790 196 H GLY 29 H GLY 29 19.811 -4.577 -1.087 197 1HA GLY 29 2HA GLY 29 19.147 -3.075 1.381 198 2HA GLY 29 1HA GLY 29 19.176 -4.796 1.302 199 H ALA 30 H ALA 30 20.528 -2.752 2.946 200 HA ALA 30 HA ALA 30 23.416 -3.118 2.413 201 1HB ALA 30 3HB ALA 30 21.740 -1.376 4.193 202 2HB ALA 30 2HB ALA 30 23.331 -1.803 4.804 203 3HB ALA 30 1HB ALA 30 23.177 -0.964 3.275 204 H HIS 31 H HIS 31 20.976 -3.844 4.786 205 HA HIS 31 HA HIS 31 22.719 -5.785 6.228 206 1HB HIS 31 2HB HIS 31 21.256 -3.994 7.414 207 2HB HIS 31 1HB HIS 31 19.863 -4.944 6.929 208 HD1 HIS 31 HD1 HIS 31 23.131 -5.757 8.650 209 HD2 HIS 31 HD2 HIS 31 19.167 -6.707 8.894 210 HE1 HIS 31 HE1 HIS 31 22.905 -7.316 10.550 211 1HN CGU 32 HN CGU 32 22.143 -6.447 3.680 212 HA CGU 32 HA CGU 32 19.898 -8.366 3.631 213 1HB CGU 32 1HB CGU 32 21.855 -7.962 1.351 214 2HB CGU 32 2HB CGU 32 20.798 -6.654 1.782 215 HG CGU 32 HG CGU 32 19.056 -8.838 1.754 216 H ASP 33 H ASP 33 21.095 -9.409 5.411 217 HA ASP 33 HA ASP 33 23.401 -11.075 4.639 218 1HB ASP 33 2HB ASP 33 22.003 -11.279 7.320 219 2HB ASP 33 1HB ASP 33 23.711 -11.388 6.950 220 H VAL 34 H VAL 34 21.160 -11.624 3.130 221 HA VAL 34 HA VAL 34 20.461 -14.370 4.063 222 HB VAL 34 HB VAL 34 18.578 -12.812 4.496 223 1HG1 VAL 34 3HG1 VAL 34 18.633 -12.256 1.497 224 2HG1 VAL 34 2HG1 VAL 34 17.375 -11.729 2.603 225 3HG1 VAL 34 1HG1 VAL 34 19.003 -11.109 2.782 226 1HG2 VAL 34 1HG2 VAL 34 18.204 -15.239 3.675 227 2HG2 VAL 34 3HG2 VAL 34 16.838 -14.141 3.580 228 3HG2 VAL 34 2HG2 VAL 34 17.755 -14.525 2.134 No H/Q in entry = 228 Start of MODEL 17 1 1H ALA 1 3H ALA 1 9.087 10.171 3.683 2 2H ALA 1 2H ALA 1 8.713 10.813 2.155 3 3H ALA 1 1H ALA 1 7.467 10.448 3.250 4 HA ALA 1 HA ALA 1 7.903 8.126 3.091 5 1HB ALA 1 2HB ALA 1 6.443 9.172 1.337 6 2HB ALA 1 1HB ALA 1 7.854 9.396 0.314 7 3HB ALA 1 3HB ALA 1 7.302 7.775 0.712 8 H CYS 2 H CYS 2 9.021 6.405 1.967 9 HA CYS 2 HA CYS 2 11.813 7.053 1.178 10 1HB CYS 2 2HB CYS 2 12.416 4.936 2.301 11 2HB CYS 2 1HB CYS 2 11.904 6.137 3.435 12 H SER 3 H SER 3 12.811 4.997 0.207 13 HA SER 3 HA SER 3 10.962 3.986 -1.921 14 1HB SER 3 2HB SER 3 13.874 4.727 -1.869 15 2HB SER 3 1HB SER 3 13.456 3.320 -2.843 16 HG SER 3 HG SER 3 12.641 5.945 -3.038 17 H GLY 4 H GLY 4 10.938 1.802 -2.422 18 1HA GLY 4 2HA GLY 4 11.742 -0.018 -0.187 19 2HA GLY 4 1HA GLY 4 10.511 -0.359 -1.404 20 H ARG 5 H ARG 5 12.253 -2.328 -1.106 21 HA ARG 5 HA ARG 5 14.635 -2.041 -2.726 22 1HB ARG 5 2HB ARG 5 14.328 -3.780 -0.886 23 2HB ARG 5 1HB ARG 5 13.207 -4.628 -1.928 24 1HG ARG 5 2HG ARG 5 14.881 -5.391 -3.353 25 2HG ARG 5 1HG ARG 5 15.843 -3.937 -3.188 26 1HD ARG 5 2HD ARG 5 16.966 -5.915 -2.153 27 2HD ARG 5 1HD ARG 5 16.636 -4.660 -0.966 28 HE ARG 5 HE ARG 5 15.228 -6.174 0.124 29 1HH1 ARG 5 1HH2 ARG 5 13.014 -6.641 -1.398 30 2HH1 ARG 5 2HH2 ARG 5 13.169 -8.231 -2.068 31 1HH2 ARG 5 2HH1 ARG 5 16.616 -8.337 -1.476 32 2HH2 ARG 5 1HH1 ARG 5 15.276 -9.223 -2.128 33 H GLY 6 H GLY 6 13.720 -1.092 -4.548 34 1HA GLY 6 2HA GLY 6 13.379 -2.544 -6.855 35 2HA GLY 6 1HA GLY 6 11.734 -2.385 -6.232 36 H SER 7 H SER 7 13.262 0.255 -5.102 37 HA SER 7 HA SER 7 12.961 1.914 -7.555 38 1HB SER 7 2HB SER 7 11.628 3.599 -6.206 39 2HB SER 7 1HB SER 7 10.773 2.056 -6.337 40 HG SER 7 HG SER 7 11.968 3.246 -4.169 41 H ARG 8 H ARG 8 14.396 3.531 -7.686 42 HA ARG 8 HA ARG 8 16.685 3.595 -5.953 43 1HB ARG 8 2HB ARG 8 17.467 5.342 -7.514 44 2HB ARG 8 1HB ARG 8 16.792 3.999 -8.393 45 1HG ARG 8 2HG ARG 8 14.780 6.117 -7.726 46 2HG ARG 8 1HG ARG 8 16.089 6.661 -8.730 47 1HD ARG 8 2HD ARG 8 14.579 5.925 -10.353 48 2HD ARG 8 1HD ARG 8 15.542 4.467 -10.149 49 HE ARG 8 HE ARG 8 13.264 4.650 -8.318 50 1HH1 ARG 8 1HH2 ARG 8 14.822 2.580 -10.340 51 2HH1 ARG 8 2HH2 ARG 8 13.403 1.889 -11.045 52 1HH2 ARG 8 2HH1 ARG 8 11.269 4.288 -9.675 53 2HH2 ARG 8 1HH1 ARG 8 11.349 2.873 -10.671 54 H CYS 9 H CYS 9 17.482 6.029 -5.553 55 HA CYS 9 HA CYS 9 15.448 7.235 -3.797 56 1HB CYS 9 2HB CYS 9 17.196 7.919 -2.346 57 2HB CYS 9 1HB CYS 9 17.483 6.248 -2.729 58 HA HYP 10 HA HYP 10 15.173 8.953 -2.717 59 1HB HYP 10 1HB HYP 10 14.983 11.043 -1.961 60 2HB HYP 10 2HB HYP 10 13.558 11.256 -2.964 61 1HD HYP 10 1HD1 HYP 10 17.125 11.288 -5.103 62 2HD HYP 10 2HD1 HYP 10 15.584 11.210 -5.969 63 HOD HYP 10 HD2 HYP 10 17.002 11.683 -2.835 64 HG HYP 10 HG HYP 10 14.837 12.756 -4.336 65 HA HYP 11 HA HYP 11 12.667 10.065 -1.589 66 1HB HYP 11 1HB HYP 11 10.625 9.497 -0.807 67 2HB HYP 11 2HB HYP 11 11.116 7.824 -0.631 68 1HD HYP 11 1HD1 HYP 11 10.772 9.047 -4.531 69 2HD HYP 11 2HD1 HYP 11 11.272 7.371 -4.272 70 HOD HYP 11 HD2 HYP 11 9.727 10.098 -2.781 71 HG HYP 11 HG HYP 11 9.770 7.272 -2.452 72 H GLN 12 H GLN 12 14.260 9.691 -0.144 73 HA GLN 12 HA GLN 12 16.325 7.923 -0.381 74 1HB GLN 12 2HB GLN 12 15.825 9.852 1.385 75 2HB GLN 12 1HB GLN 12 15.345 8.524 2.422 76 1HG GLN 12 2HG GLN 12 17.587 7.446 2.043 77 2HG GLN 12 1HG GLN 12 18.054 8.815 1.040 78 1HE2 GLN 12 2HE2 GLN 12 18.226 11.096 3.835 79 2HE2 GLN 12 1HE2 GLN 12 17.774 11.041 2.199 80 H CYS 13 H CYS 13 16.598 5.768 -0.243 81 HA CYS 13 HA CYS 13 14.532 3.936 0.084 82 1HB CYS 13 2HB CYS 13 17.183 3.001 1.074 83 2HB CYS 13 1HB CYS 13 16.067 2.315 -0.055 84 H CYS 14 H CYS 14 13.655 2.817 1.605 85 HA CYS 14 HA CYS 14 13.319 3.822 4.205 86 1HB CYS 14 2HB CYS 14 12.764 1.027 3.192 87 2HB CYS 14 1HB CYS 14 12.009 1.769 4.567 88 H MET 15 H MET 15 13.516 2.407 6.171 89 HA MET 15 HA MET 15 16.201 2.112 6.895 90 1HB MET 15 2HB MET 15 14.192 2.376 8.436 91 2HB MET 15 1HB MET 15 13.814 0.688 8.163 92 1HG MET 15 2HG MET 15 15.023 0.791 10.200 93 2HG MET 15 1HG MET 15 16.117 0.111 9.039 94 1HE MET 15 2HE MET 15 18.239 0.600 8.754 95 2HE MET 15 1HE MET 15 18.210 2.116 7.833 96 3HE MET 15 3HE MET 15 19.163 1.967 9.312 97 H GLY 16 H GLY 16 17.646 0.606 6.571 98 1HA GLY 16 2HA GLY 16 18.425 -1.668 6.549 99 2HA GLY 16 1HA GLY 16 16.862 -2.164 5.922 100 H LEU 17 H LEU 17 16.881 0.148 3.987 101 HA LEU 17 HA LEU 17 18.516 -1.177 1.951 102 1HB LEU 17 2HB LEU 17 16.235 0.803 1.815 103 2HB LEU 17 1HB LEU 17 17.266 0.560 0.429 104 HG LEU 17 HG LEU 17 16.610 -2.060 1.281 105 1HD1 LEU 17 1HD1 LEU 17 14.171 -0.257 1.114 106 2HD1 LEU 17 3HD1 LEU 17 14.132 -2.014 1.130 107 3HD1 LEU 17 2HD1 LEU 17 14.702 -1.137 2.546 108 1HD2 LEU 17 3HD2 LEU 17 16.834 -0.791 -1.092 109 2HD2 LEU 17 2HD2 LEU 17 16.035 -2.331 -0.909 110 3HD2 LEU 17 1HD2 LEU 17 15.094 -0.844 -0.977 111 H ARG 18 H ARG 18 19.427 0.116 0.315 112 HA ARG 18 HA ARG 18 20.664 2.703 1.013 113 1HB ARG 18 2HB ARG 18 22.791 1.610 -0.103 114 2HB ARG 18 1HB ARG 18 22.503 1.380 1.608 115 1HG ARG 18 2HG ARG 18 21.658 -0.841 1.232 116 2HG ARG 18 1HG ARG 18 21.454 -0.564 -0.478 117 1HD ARG 18 2HD ARG 18 23.950 -0.409 -0.745 118 2HD ARG 18 1HD ARG 18 24.125 -0.795 0.969 119 HE ARG 18 HE ARG 18 22.470 -2.762 -0.313 120 1HH1 ARG 18 1HH2 ARG 18 25.072 -2.815 1.491 121 2HH1 ARG 18 2HH2 ARG 18 26.049 -3.856 0.512 122 1HH2 ARG 18 2HH1 ARG 18 23.950 -3.554 -2.273 123 2HH2 ARG 18 1HH1 ARG 18 25.404 -4.277 -1.671 124 H CYS 19 H CYS 19 21.213 3.827 -0.782 125 HA CYS 19 HA CYS 19 19.602 3.347 -3.147 126 1HB CYS 19 2HB CYS 19 20.280 5.573 -2.053 127 2HB CYS 19 1HB CYS 19 21.783 5.425 -2.913 128 H GLY 20 H GLY 20 20.253 1.563 -4.343 129 1HA GLY 20 2HA GLY 20 23.025 1.056 -5.047 130 2HA GLY 20 1HA GLY 20 21.607 0.231 -5.703 131 H ARG 21 H ARG 21 23.659 3.000 -5.991 132 HA ARG 21 HA ARG 21 22.366 4.341 -8.110 133 1HB ARG 21 2HB ARG 21 24.607 4.776 -6.509 134 2HB ARG 21 1HB ARG 21 25.331 4.552 -8.088 135 1HG ARG 21 2HG ARG 21 23.883 6.316 -9.034 136 2HG ARG 21 1HG ARG 21 23.050 6.489 -7.498 137 1HD ARG 21 2HD ARG 21 25.224 7.147 -6.421 138 2HD ARG 21 1HD ARG 21 26.005 7.052 -7.997 139 HE ARG 21 HE ARG 21 23.727 8.923 -7.445 140 1HH1 ARG 21 2HH1 ARG 21 24.728 8.600 -10.228 141 2HH1 ARG 21 1HH1 ARG 21 25.870 9.896 -10.375 142 1HH2 ARG 21 1HH2 ARG 21 26.050 10.376 -6.905 143 2HH2 ARG 21 2HH2 ARG 21 26.634 10.936 -8.438 144 H GLY 22 H GLY 22 23.994 1.398 -8.145 145 1HA GLY 22 2HA GLY 22 25.152 1.405 -10.775 146 2HA GLY 22 1HA GLY 22 24.694 -0.036 -9.856 147 H ASN 23 H ASN 23 24.283 0.456 -12.698 148 HA ASN 23 HA ASN 23 21.477 1.043 -13.102 149 1HB ASN 23 2HB ASN 23 21.997 0.353 -15.473 150 2HB ASN 23 1HB ASN 23 23.032 1.626 -14.851 151 1HD2 ASN 23 2HD2 ASN 23 24.613 -2.000 -15.815 152 2HD2 ASN 23 1HD2 ASN 23 22.936 -1.745 -15.860 153 HA PRO 24 HA PRO 24 19.598 0.550 -13.991 154 1HB PRO 24 2HB PRO 24 17.250 -0.452 -12.888 155 2HB PRO 24 1HB PRO 24 17.733 -0.574 -14.571 156 1HG PRO 24 2HG PRO 24 17.687 -2.698 -12.520 157 2HG PRO 24 1HG PRO 24 17.815 -2.862 -14.266 158 1HD PRO 24 2HD PRO 24 19.946 -3.141 -12.342 159 2HD PRO 24 1HD PRO 24 20.098 -3.181 -14.105 160 H GLN 25 H GLN 25 19.291 2.308 -12.719 161 HA GLN 25 HA GLN 25 20.193 2.407 -10.033 162 1HB GLN 25 2HB GLN 25 18.450 4.291 -11.674 163 2HB GLN 25 1HB GLN 25 19.000 4.693 -10.054 164 1HG GLN 25 2HG GLN 25 21.360 4.374 -10.760 165 2HG GLN 25 1HG GLN 25 20.836 3.961 -12.387 166 1HE2 GLN 25 2HE2 GLN 25 19.970 7.336 -13.235 167 2HE2 GLN 25 1HE2 GLN 25 19.565 5.718 -13.557 168 H LYS 26 H LYS 26 19.329 1.452 -8.408 169 HA LYS 26 HA LYS 26 16.565 1.854 -7.594 170 1HB LYS 26 2HB LYS 26 17.376 -0.628 -8.992 171 2HB LYS 26 1HB LYS 26 16.641 -0.958 -7.438 172 1HG LYS 26 2HG LYS 26 14.651 0.180 -7.987 173 2HG LYS 26 1HG LYS 26 15.338 0.972 -9.368 174 1HD LYS 26 2HD LYS 26 15.723 -1.598 -10.173 175 2HD LYS 26 1HD LYS 26 14.353 -1.851 -9.109 176 1HE LYS 26 2HE LYS 26 13.502 -1.433 -11.349 177 2HE LYS 26 1HE LYS 26 13.120 -0.020 -10.381 178 1HZ LYS 26 2HZ LYS 26 15.226 0.972 -11.263 179 2HZ LYS 26 1HZ LYS 26 15.310 -0.336 -12.343 180 3HZ LYS 26 3HZ LYS 26 13.993 0.735 -12.406 181 H CYS 27 H CYS 27 16.161 1.206 -5.363 182 HA CYS 27 HA CYS 27 18.602 1.156 -3.806 183 1HB CYS 27 2HB CYS 27 15.732 0.874 -2.802 184 2HB CYS 27 1HB CYS 27 17.160 1.119 -1.878 185 H ILE 28 H ILE 28 19.217 -0.512 -2.448 186 HA ILE 28 HA ILE 28 17.908 -3.168 -2.743 187 HB ILE 28 HB ILE 28 20.144 -4.185 -2.941 188 1HG1 ILE 28 2HG1 ILE 28 21.271 -2.227 -1.661 189 2HG1 ILE 28 1HG1 ILE 28 22.132 -3.028 -2.914 190 1HG2 ILE 28 1HG2 ILE 28 19.623 -2.076 -5.080 191 2HG2 ILE 28 3HG2 ILE 28 20.773 -3.392 -5.239 192 3HG2 ILE 28 2HG2 ILE 28 19.064 -3.736 -5.060 193 1HD1 ILE 28 2HD1 ILE 28 20.660 -0.637 -3.828 194 2HD1 ILE 28 1HD1 ILE 28 22.004 -0.368 -2.734 195 3HD1 ILE 28 3HD1 ILE 28 22.260 -1.237 -4.237 196 H GLY 29 H GLY 29 19.402 -4.551 -1.003 197 1HA GLY 29 2HA GLY 29 18.974 -3.058 1.495 198 2HA GLY 29 1HA GLY 29 19.032 -4.773 1.385 199 H ALA 30 H ALA 30 20.471 -2.587 2.894 200 HA ALA 30 HA ALA 30 23.302 -2.779 2.208 201 1HB ALA 30 3HB ALA 30 22.335 -0.726 3.287 202 2HB ALA 30 2HB ALA 30 21.921 -1.683 4.698 203 3HB ALA 30 1HB ALA 30 23.608 -1.426 4.274 204 H HIS 31 H HIS 31 21.093 -3.979 4.585 205 HA HIS 31 HA HIS 31 23.095 -5.774 5.829 206 1HB HIS 31 2HB HIS 31 21.164 -4.403 7.036 207 2HB HIS 31 1HB HIS 31 20.124 -5.718 6.511 208 HD1 HIS 31 HD1 HIS 31 23.169 -5.171 8.609 209 HD2 HIS 31 HD2 HIS 31 20.374 -8.078 7.982 210 HE1 HIS 31 HE1 HIS 31 23.558 -6.890 10.335 211 1HN CGU 32 HN CGU 32 22.736 -6.187 3.214 212 HA CGU 32 HA CGU 32 21.730 -8.943 3.044 213 1HB CGU 32 1HB CGU 32 20.691 -6.548 1.475 214 2HB CGU 32 2HB CGU 32 19.755 -7.791 2.257 215 HG CGU 32 HG CGU 32 21.507 -8.424 -0.145 216 H ASP 33 H ASP 33 23.818 -9.528 2.905 217 HA ASP 33 HA ASP 33 25.517 -8.412 0.724 218 1HB ASP 33 2HB ASP 33 26.276 -8.566 3.243 219 2HB ASP 33 1HB ASP 33 26.439 -10.287 2.957 220 H VAL 34 H VAL 34 23.327 -10.128 0.297 221 HA VAL 34 HA VAL 34 24.689 -12.359 -1.117 222 HB VAL 34 HB VAL 34 21.977 -12.936 0.118 223 1HG1 VAL 34 1HG1 VAL 34 24.468 -14.607 -0.406 224 2HG1 VAL 34 3HG1 VAL 34 22.934 -15.233 0.177 225 3HG1 VAL 34 2HG1 VAL 34 23.045 -14.546 -1.433 226 1HG2 VAL 34 3HG2 VAL 34 24.593 -13.045 1.688 227 2HG2 VAL 34 2HG2 VAL 34 23.177 -12.091 2.094 228 3HG2 VAL 34 1HG2 VAL 34 23.110 -13.838 2.185 No H/Q in entry = 228 Start of MODEL 18 1 1H ALA 1 1H ALA 1 7.950 9.967 1.053 2 2H ALA 1 3H ALA 1 6.785 10.134 2.279 3 3H ALA 1 2H ALA 1 8.437 10.091 2.677 4 HA ALA 1 HA ALA 1 7.710 7.971 3.198 5 1HB ALA 1 1HB ALA 1 6.228 8.040 0.527 6 2HB ALA 1 3HB ALA 1 6.268 6.656 1.609 7 3HB ALA 1 2HB ALA 1 5.487 8.146 2.116 8 H CYS 2 H CYS 2 9.544 6.923 3.084 9 HA CYS 2 HA CYS 2 11.583 7.114 1.196 10 1HB CYS 2 2HB CYS 2 12.398 4.974 2.269 11 2HB CYS 2 1HB CYS 2 12.080 6.259 3.382 12 H SER 3 H SER 3 12.604 5.101 0.181 13 HA SER 3 HA SER 3 10.699 3.983 -1.816 14 1HB SER 3 2HB SER 3 13.419 4.985 -1.978 15 2HB SER 3 1HB SER 3 13.409 3.315 -2.519 16 HG SER 3 HG SER 3 11.884 3.746 -3.952 17 H GLY 4 H GLY 4 11.277 1.753 -2.600 18 1HA GLY 4 2HA GLY 4 11.902 -0.063 -0.294 19 2HA GLY 4 1HA GLY 4 10.644 -0.397 -1.484 20 H ARG 5 H ARG 5 12.564 -2.269 -1.117 21 HA ARG 5 HA ARG 5 14.832 -2.003 -2.860 22 1HB ARG 5 2HB ARG 5 14.519 -3.682 -0.940 23 2HB ARG 5 1HB ARG 5 13.466 -4.600 -1.988 24 1HG ARG 5 2HG ARG 5 15.955 -3.955 -3.399 25 2HG ARG 5 1HG ARG 5 16.331 -4.664 -1.844 26 1HD ARG 5 2HD ARG 5 14.368 -5.918 -3.814 27 2HD ARG 5 1HD ARG 5 16.082 -6.320 -3.761 28 HE ARG 5 HE ARG 5 15.140 -6.622 -1.131 29 1HH1 ARG 5 1HH2 ARG 5 12.870 -7.486 -3.114 30 2HH1 ARG 5 2HH2 ARG 5 13.089 -9.206 -3.085 31 1HH2 ARG 5 2HH1 ARG 5 16.245 -8.931 -1.576 32 2HH2 ARG 5 1HH1 ARG 5 15.073 -10.060 -2.175 33 H GLY 6 H GLY 6 14.008 -1.166 -4.699 34 1HA GLY 6 2HA GLY 6 13.696 -2.606 -6.977 35 2HA GLY 6 1HA GLY 6 12.038 -2.560 -6.375 36 H SER 7 H SER 7 13.245 0.169 -5.195 37 HA SER 7 HA SER 7 12.934 1.847 -7.634 38 1HB SER 7 2HB SER 7 11.544 3.447 -6.098 39 2HB SER 7 1HB SER 7 10.713 1.971 -6.594 40 HG SER 7 HG SER 7 12.126 1.374 -4.434 41 H ARG 8 H ARG 8 14.366 3.441 -7.695 42 HA ARG 8 HA ARG 8 16.619 3.508 -5.947 43 1HB ARG 8 2HB ARG 8 17.495 5.082 -7.442 44 2HB ARG 8 1HB ARG 8 16.439 4.088 -8.410 45 1HG ARG 8 2HG ARG 8 15.125 5.776 -9.013 46 2HG ARG 8 1HG ARG 8 14.892 6.338 -7.385 47 1HD ARG 8 2HD ARG 8 16.046 8.165 -8.198 48 2HD ARG 8 1HD ARG 8 17.456 7.204 -7.773 49 HE ARG 8 HE ARG 8 17.308 6.356 -10.215 50 1HH1 ARG 8 1HH2 ARG 8 15.268 7.664 -11.504 51 2HH1 ARG 8 2HH2 ARG 8 15.876 9.217 -11.973 52 1HH2 ARG 8 2HH1 ARG 8 18.555 9.067 -9.719 53 2HH2 ARG 8 1HH1 ARG 8 17.787 10.036 -10.934 54 H CYS 9 H CYS 9 17.155 6.231 -5.983 55 HA CYS 9 HA CYS 9 15.385 7.355 -3.939 56 1HB CYS 9 2HB CYS 9 17.145 7.829 -2.429 57 2HB CYS 9 1HB CYS 9 17.353 6.174 -2.914 58 HA HYP 10 HA HYP 10 15.192 9.035 -2.818 59 1HB HYP 10 1HB HYP 10 14.907 11.096 -2.046 60 2HB HYP 10 2HB HYP 10 13.488 11.259 -3.054 61 1HD HYP 10 1HD1 HYP 10 17.154 11.423 -5.053 62 2HD HYP 10 2HD1 HYP 10 15.694 11.309 -6.048 63 HOD HYP 10 HD2 HYP 10 16.876 11.904 -2.838 64 HG HYP 10 HG HYP 10 14.724 12.787 -4.473 65 HA HYP 11 HA HYP 11 12.609 9.913 -1.710 66 1HB HYP 11 1HB HYP 11 10.594 9.125 -1.119 67 2HB HYP 11 2HB HYP 11 11.357 7.597 -0.712 68 1HD HYP 11 1HD1 HYP 11 10.710 8.903 -4.492 69 2HD HYP 11 2HD1 HYP 11 11.499 7.323 -4.654 70 HOD HYP 11 HD2 HYP 11 8.945 8.066 -1.832 71 HG HYP 11 HG HYP 11 10.548 6.549 -2.638 72 H GLN 12 H GLN 12 13.943 9.517 0.053 73 HA GLN 12 HA GLN 12 16.279 8.016 -0.281 74 1HB GLN 12 2HB GLN 12 16.508 8.202 2.251 75 2HB GLN 12 1HB GLN 12 16.133 9.715 1.464 76 1HG GLN 12 2HG GLN 12 13.574 8.607 2.077 77 2HG GLN 12 1HG GLN 12 14.564 8.226 3.473 78 1HE2 GLN 12 2HE2 GLN 12 14.810 11.581 4.556 79 2HE2 GLN 12 1HE2 GLN 12 15.378 9.993 4.755 80 H CYS 13 H CYS 13 16.705 5.795 -0.126 81 HA CYS 13 HA CYS 13 14.553 3.958 -0.005 82 1HB CYS 13 2HB CYS 13 17.234 3.063 0.944 83 2HB CYS 13 1HB CYS 13 16.108 2.303 -0.130 84 H CYS 14 H CYS 14 13.589 2.887 1.576 85 HA CYS 14 HA CYS 14 13.404 3.894 4.177 86 1HB CYS 14 2HB CYS 14 12.755 1.117 3.173 87 2HB CYS 14 1HB CYS 14 12.181 1.779 4.672 88 H MET 15 H MET 15 13.662 2.546 6.163 89 HA MET 15 HA MET 15 16.339 2.244 6.855 90 1HB MET 15 2HB MET 15 14.311 2.477 8.382 91 2HB MET 15 1HB MET 15 14.008 0.768 8.156 92 1HG MET 15 2HG MET 15 15.462 0.326 9.815 93 2HG MET 15 1HG MET 15 16.760 0.991 8.873 94 1HE MET 15 2HE MET 15 13.767 2.118 11.173 95 2HE MET 15 1HE MET 15 14.885 1.055 12.061 96 3HE MET 15 3HE MET 15 14.721 2.743 12.506 97 H GLY 16 H GLY 16 17.808 0.725 6.646 98 1HA GLY 16 2HA GLY 16 18.659 -1.497 6.601 99 2HA GLY 16 1HA GLY 16 17.091 -2.064 6.054 100 H LEU 17 H LEU 17 16.974 0.173 4.050 101 HA LEU 17 HA LEU 17 18.468 -1.193 1.962 102 1HB LEU 17 2HB LEU 17 16.556 1.160 1.783 103 2HB LEU 17 1HB LEU 17 17.250 0.354 0.402 104 HG LEU 17 HG LEU 17 15.183 -0.697 2.347 105 1HD1 LEU 17 3HD1 LEU 17 14.428 0.761 0.517 106 2HD1 LEU 17 2HD1 LEU 17 15.115 -0.365 -0.647 107 3HD1 LEU 17 1HD1 LEU 17 13.789 -0.870 0.396 108 1HD2 LEU 17 1HD2 LEU 17 16.819 -2.579 1.781 109 2HD2 LEU 17 3HD2 LEU 17 15.196 -2.845 1.184 110 3HD2 LEU 17 2HD2 LEU 17 16.442 -2.302 0.080 111 H ARG 18 H ARG 18 19.390 0.063 0.260 112 HA ARG 18 HA ARG 18 20.781 2.570 0.924 113 1HB ARG 18 2HB ARG 18 22.828 1.267 -0.245 114 2HB ARG 18 1HB ARG 18 22.577 1.229 1.484 115 1HG ARG 18 2HG ARG 18 21.555 -0.939 1.342 116 2HG ARG 18 1HG ARG 18 21.347 -0.815 -0.381 117 1HD ARG 18 2HD ARG 18 24.084 -0.926 0.961 118 2HD ARG 18 1HD ARG 18 23.267 -2.328 0.268 119 HE ARG 18 HE ARG 18 23.202 -0.623 -1.826 120 1HH1 ARG 18 2HH1 ARG 18 25.233 1.063 -1.651 121 2HH1 ARG 18 1HH1 ARG 18 26.719 0.201 -1.871 122 1HH2 ARG 18 1HH2 ARG 18 25.238 -2.908 -1.209 123 2HH2 ARG 18 2HH2 ARG 18 26.721 -2.111 -1.619 124 H CYS 19 H CYS 19 21.218 3.692 -0.862 125 HA CYS 19 HA CYS 19 19.602 3.171 -3.230 126 1HB CYS 19 2HB CYS 19 20.149 5.413 -2.127 127 2HB CYS 19 1HB CYS 19 21.684 5.349 -2.939 128 H GLY 20 H GLY 20 20.316 1.447 -4.449 129 1HA GLY 20 2HA GLY 20 23.127 1.072 -5.147 130 2HA GLY 20 1HA GLY 20 21.759 0.146 -5.760 131 H ARG 21 H ARG 21 24.043 2.411 -6.622 132 HA ARG 21 HA ARG 21 22.571 3.969 -8.489 133 1HB ARG 21 2HB ARG 21 24.935 4.409 -7.539 134 2HB ARG 21 1HB ARG 21 25.522 3.280 -8.749 135 1HG ARG 21 2HG ARG 21 24.458 4.679 -10.541 136 2HG ARG 21 1HG ARG 21 23.901 5.806 -9.317 137 1HD ARG 21 2HD ARG 21 26.296 6.215 -8.658 138 2HD ARG 21 1HD ARG 21 26.809 5.154 -9.969 139 HE ARG 21 HE ARG 21 25.544 7.822 -10.279 140 1HH1 ARG 21 1HH2 ARG 21 24.509 6.006 -12.385 141 2HH1 ARG 21 2HH2 ARG 21 25.688 6.178 -13.638 142 1HH2 ARG 21 2HH1 ARG 21 28.077 7.592 -11.511 143 2HH2 ARG 21 1HH1 ARG 21 27.752 7.092 -13.138 144 H GLY 22 H GLY 22 22.262 3.755 -10.639 145 1HA GLY 22 2HA GLY 22 23.342 1.765 -12.377 146 2HA GLY 22 1HA GLY 22 21.766 1.224 -11.777 147 H ASN 23 H ASN 23 20.862 1.429 -13.870 148 HA ASN 23 HA ASN 23 19.815 4.081 -14.430 149 1HB ASN 23 2HB ASN 23 22.234 3.401 -15.740 150 2HB ASN 23 1HB ASN 23 21.017 3.085 -16.959 151 1HD2 ASN 23 2HD2 ASN 23 21.283 6.925 -15.489 152 2HD2 ASN 23 1HD2 ASN 23 21.594 5.613 -14.453 153 HA PRO 24 HA PRO 24 17.913 4.409 -14.019 154 1HB PRO 24 2HB PRO 24 15.565 3.417 -12.915 155 2HB PRO 24 1HB PRO 24 15.694 4.536 -14.261 156 1HG PRO 24 2HG PRO 24 14.950 1.683 -14.324 157 2HG PRO 24 1HG PRO 24 14.748 2.899 -15.578 158 1HD PRO 24 2HD PRO 24 16.739 0.814 -15.490 159 2HD PRO 24 1HD PRO 24 16.621 2.117 -16.686 160 H GLN 25 H GLN 25 18.583 4.633 -11.966 161 HA GLN 25 HA GLN 25 19.900 2.602 -10.514 162 1HB GLN 25 2HB GLN 25 18.576 5.057 -9.308 163 2HB GLN 25 1HB GLN 25 19.923 4.178 -8.618 164 1HG GLN 25 2HG GLN 25 21.465 5.207 -9.998 165 2HG GLN 25 1HG GLN 25 20.389 5.214 -11.384 166 1HE2 GLN 25 2HE2 GLN 25 20.030 8.658 -10.930 167 2HE2 GLN 25 1HE2 GLN 25 20.486 7.378 -11.951 168 H LYS 26 H LYS 26 19.285 1.831 -8.268 169 HA LYS 26 HA LYS 26 16.460 1.636 -7.599 170 1HB LYS 26 2HB LYS 26 17.752 -0.463 -9.228 171 2HB LYS 26 1HB LYS 26 17.090 -1.123 -7.748 172 1HG LYS 26 2HG LYS 26 14.920 -0.173 -8.213 173 2HG LYS 26 1HG LYS 26 15.494 0.643 -9.641 174 1HD LYS 26 2HD LYS 26 15.969 -2.325 -9.543 175 2HD LYS 26 1HD LYS 26 14.308 -1.810 -9.726 176 1HE LYS 26 2HE LYS 26 15.107 -1.983 -11.972 177 2HE LYS 26 1HE LYS 26 15.176 -0.260 -11.649 178 1HZ LYS 26 3HZ LYS 26 17.564 -1.589 -10.841 179 2HZ LYS 26 2HZ LYS 26 17.227 -1.841 -12.486 180 3HZ LYS 26 1HZ LYS 26 17.355 -0.262 -11.880 181 H CYS 27 H CYS 27 16.177 1.239 -5.385 182 HA CYS 27 HA CYS 27 18.582 1.031 -3.812 183 1HB CYS 27 2HB CYS 27 15.731 0.729 -2.745 184 2HB CYS 27 1HB CYS 27 17.186 1.049 -1.896 185 H ILE 28 H ILE 28 19.176 -0.633 -2.480 186 HA ILE 28 HA ILE 28 17.857 -3.286 -2.744 187 HB ILE 28 HB ILE 28 20.140 -4.300 -2.833 188 1HG1 ILE 28 2HG1 ILE 28 21.216 -2.179 -1.781 189 2HG1 ILE 28 1HG1 ILE 28 22.106 -3.090 -2.933 190 1HG2 ILE 28 2HG2 ILE 28 19.447 -2.458 -5.149 191 2HG2 ILE 28 1HG2 ILE 28 20.724 -3.665 -5.212 192 3HG2 ILE 28 3HG2 ILE 28 19.063 -4.158 -4.957 193 1HD1 ILE 28 1HD1 ILE 28 20.538 -0.887 -4.127 194 2HD1 ILE 28 3HD1 ILE 28 21.844 -0.418 -3.058 195 3HD1 ILE 28 2HD1 ILE 28 22.173 -1.446 -4.443 196 H GLY 29 H GLY 29 19.493 -4.589 -0.962 197 1HA GLY 29 2HA GLY 29 19.095 -2.994 1.490 198 2HA GLY 29 1HA GLY 29 19.028 -4.723 1.431 199 H ALA 30 H ALA 30 20.611 -2.734 2.957 200 HA ALA 30 HA ALA 30 23.425 -3.195 2.194 201 1HB ALA 30 3HB ALA 30 22.163 -1.078 3.435 202 2HB ALA 30 2HB ALA 30 22.791 -1.940 4.825 203 3HB ALA 30 1HB ALA 30 23.884 -1.398 3.565 204 H HIS 31 H HIS 31 21.207 -3.814 4.808 205 HA HIS 31 HA HIS 31 22.963 -5.874 6.043 206 1HB HIS 31 2HB HIS 31 21.504 -3.940 7.248 207 2HB HIS 31 1HB HIS 31 20.229 -5.143 7.135 208 HD1 HIS 31 HD1 HIS 31 21.085 -7.568 8.158 209 HD2 HIS 31 HD2 HIS 31 23.136 -4.277 9.432 210 HE1 HIS 31 HE1 HIS 31 22.271 -8.242 10.216 211 1HN CGU 32 HN CGU 32 22.083 -6.399 3.546 212 HA CGU 32 HA CGU 32 19.969 -8.474 3.745 213 1HB CGU 32 1HB CGU 32 21.065 -7.182 1.237 214 2HB CGU 32 2HB CGU 32 19.942 -6.302 2.232 215 HG CGU 32 HG CGU 32 19.255 -9.080 1.284 216 H ASP 33 H ASP 33 21.173 -9.087 1.111 217 HA ASP 33 HA ASP 33 23.669 -10.528 1.799 218 1HB ASP 33 2HB ASP 33 21.396 -11.957 2.046 219 2HB ASP 33 1HB ASP 33 21.453 -12.002 0.297 220 H VAL 34 H VAL 34 23.065 -8.216 0.407 221 HA VAL 34 HA VAL 34 24.049 -8.869 -2.327 222 HB VAL 34 HB VAL 34 21.911 -6.789 -1.645 223 1HG1 VAL 34 2HG1 VAL 34 23.191 -7.604 -4.282 224 2HG1 VAL 34 1HG1 VAL 34 21.728 -6.638 -4.172 225 3HG1 VAL 34 3HG1 VAL 34 23.235 -6.017 -3.530 226 1HG2 VAL 34 2HG2 VAL 34 21.696 -9.480 -3.069 227 2HG2 VAL 34 1HG2 VAL 34 20.944 -9.051 -1.541 228 3HG2 VAL 34 3HG2 VAL 34 20.410 -8.283 -3.023 No H/Q in entry = 228 Start of MODEL 19 1 1H ALA 1 3H ALA 1 9.203 10.420 3.295 2 2H ALA 1 2H ALA 1 8.860 10.904 1.703 3 3H ALA 1 1H ALA 1 7.598 10.723 2.825 4 HA ALA 1 HA ALA 1 8.027 8.361 2.966 5 1HB ALA 1 1HB ALA 1 6.414 9.235 1.256 6 2HB ALA 1 3HB ALA 1 7.725 9.337 0.090 7 3HB ALA 1 2HB ALA 1 7.208 7.772 0.701 8 H CYS 2 H CYS 2 9.110 6.524 2.076 9 HA CYS 2 HA CYS 2 11.823 7.099 0.992 10 1HB CYS 2 2HB CYS 2 12.472 5.020 2.166 11 2HB CYS 2 1HB CYS 2 11.988 6.234 3.292 12 H SER 3 H SER 3 12.715 4.938 0.092 13 HA SER 3 HA SER 3 10.721 3.866 -1.877 14 1HB SER 3 2HB SER 3 13.574 4.735 -2.107 15 2HB SER 3 1HB SER 3 13.172 3.271 -2.996 16 HG SER 3 HG SER 3 11.704 4.324 -4.139 17 H GLY 4 H GLY 4 10.778 1.675 -2.365 18 1HA GLY 4 2HA GLY 4 11.736 -0.069 -0.143 19 2HA GLY 4 1HA GLY 4 10.525 -0.499 -1.347 20 H ARG 5 H ARG 5 12.506 -2.328 -0.944 21 HA ARG 5 HA ARG 5 14.845 -1.960 -2.569 22 1HB ARG 5 2HB ARG 5 14.514 -3.783 -0.818 23 2HB ARG 5 1HB ARG 5 13.458 -4.605 -1.943 24 1HG ARG 5 2HG ARG 5 15.901 -3.866 -3.352 25 2HG ARG 5 1HG ARG 5 16.361 -4.588 -1.827 26 1HD ARG 5 2HD ARG 5 14.225 -6.002 -3.406 27 2HD ARG 5 1HD ARG 5 15.868 -6.058 -4.041 28 HE ARG 5 HE ARG 5 16.238 -6.673 -1.398 29 1HH1 ARG 5 1HH2 ARG 5 13.375 -7.622 -1.555 30 2HH1 ARG 5 2HH2 ARG 5 13.586 -9.297 -1.939 31 1HH2 ARG 5 2HH1 ARG 5 16.930 -8.853 -2.907 32 2HH2 ARG 5 1HH1 ARG 5 15.659 -10.013 -2.727 33 H GLY 6 H GLY 6 14.791 -1.557 -4.636 34 1HA GLY 6 2HA GLY 6 14.498 -2.513 -6.897 35 2HA GLY 6 1HA GLY 6 12.856 -2.966 -6.449 36 H SER 7 H SER 7 13.048 -0.191 -4.931 37 HA SER 7 HA SER 7 11.926 1.410 -7.161 38 1HB SER 7 2HB SER 7 10.621 1.139 -4.987 39 2HB SER 7 1HB SER 7 11.934 1.983 -4.150 40 HG SER 7 HG SER 7 10.366 2.952 -6.302 41 H ARG 8 H ARG 8 12.758 3.595 -7.388 42 HA ARG 8 HA ARG 8 15.629 3.739 -7.260 43 1HB ARG 8 2HB ARG 8 15.369 5.760 -8.500 44 2HB ARG 8 1HB ARG 8 14.066 4.732 -9.037 45 1HG ARG 8 2HG ARG 8 13.824 6.991 -6.979 46 2HG ARG 8 1HG ARG 8 13.286 7.026 -8.637 47 1HD ARG 8 2HD ARG 8 12.131 5.290 -6.429 48 2HD ARG 8 1HD ARG 8 11.358 6.641 -7.238 49 HE ARG 8 HE ARG 8 12.207 4.289 -8.858 50 1HH1 ARG 8 1HH2 ARG 8 10.713 6.048 -10.416 51 2HH1 ARG 8 2HH2 ARG 8 9.051 5.621 -10.184 52 1HH2 ARG 8 2HH1 ARG 8 9.800 3.856 -7.233 53 2HH2 ARG 8 1HH1 ARG 8 8.493 4.293 -8.293 54 H CYS 9 H CYS 9 16.230 6.272 -6.727 55 HA CYS 9 HA CYS 9 15.325 7.064 -4.110 56 1HB CYS 9 2HB CYS 9 17.877 6.871 -3.322 57 2HB CYS 9 1HB CYS 9 16.724 5.590 -3.115 58 HA HYP 10 HA HYP 10 15.400 8.666 -2.902 59 1HB HYP 10 1HB HYP 10 15.584 10.703 -2.004 60 2HB HYP 10 2HB HYP 10 14.195 11.201 -2.950 61 1HD HYP 10 1HD1 HYP 10 17.879 10.764 -4.836 62 2HD HYP 10 2HD1 HYP 10 16.525 11.010 -5.946 63 HOD HYP 10 HD2 HYP 10 17.237 13.056 -3.129 64 HG HYP 10 HG HYP 10 15.645 12.499 -4.376 65 HA HYP 11 HA HYP 11 12.844 10.041 -1.847 66 1HB HYP 11 1HB HYP 11 10.734 9.455 -1.282 67 2HB HYP 11 2HB HYP 11 11.253 7.802 -0.999 68 1HD HYP 11 1HD1 HYP 11 11.122 9.093 -4.904 69 2HD HYP 11 2HD1 HYP 11 11.685 7.427 -4.718 70 HOD HYP 11 HD2 HYP 11 8.911 9.034 -2.428 71 HG HYP 11 HG HYP 11 10.156 7.128 -2.946 72 H GLN 12 H GLN 12 14.343 9.668 -0.355 73 HA GLN 12 HA GLN 12 16.429 7.917 -0.473 74 1HB GLN 12 2HB GLN 12 16.034 9.831 1.195 75 2HB GLN 12 1HB GLN 12 15.157 8.684 2.187 76 1HG GLN 12 2HG GLN 12 17.336 7.194 1.984 77 2HG GLN 12 1HG GLN 12 18.108 8.674 1.437 78 1HE2 GLN 12 2HE2 GLN 12 18.033 10.205 4.651 79 2HE2 GLN 12 1HE2 GLN 12 18.203 10.492 2.988 80 H CYS 13 H CYS 13 16.724 5.762 -0.283 81 HA CYS 13 HA CYS 13 14.613 3.940 -0.029 82 1HB CYS 13 2HB CYS 13 17.298 3.113 0.982 83 2HB CYS 13 1HB CYS 13 16.178 2.296 -0.061 84 H CYS 14 H CYS 14 13.719 2.826 1.533 85 HA CYS 14 HA CYS 14 13.395 3.916 4.104 86 1HB CYS 14 2HB CYS 14 12.812 1.087 3.200 87 2HB CYS 14 1HB CYS 14 12.075 1.895 4.547 88 H MET 15 H MET 15 13.569 2.535 6.116 89 HA MET 15 HA MET 15 16.234 2.298 6.909 90 1HB MET 15 2HB MET 15 14.081 2.520 8.328 91 2HB MET 15 1HB MET 15 13.912 0.786 8.171 92 1HG MET 15 2HG MET 15 16.387 2.130 9.290 93 2HG MET 15 1HG MET 15 15.046 1.646 10.277 94 1HE MET 15 3HE MET 15 18.197 0.824 8.534 95 2HE MET 15 2HE MET 15 18.423 0.722 10.295 96 3HE MET 15 1HE MET 15 18.640 -0.698 9.272 97 H GLY 16 H GLY 16 17.731 0.824 6.625 98 1HA GLY 16 2HA GLY 16 18.589 -1.414 6.664 99 2HA GLY 16 1HA GLY 16 17.024 -1.992 6.120 100 H LEU 17 H LEU 17 16.970 0.255 4.074 101 HA LEU 17 HA LEU 17 18.453 -1.194 2.028 102 1HB LEU 17 2HB LEU 17 16.563 1.175 1.821 103 2HB LEU 17 1HB LEU 17 17.258 0.386 0.433 104 HG LEU 17 HG LEU 17 15.160 -0.646 2.347 105 1HD1 LEU 17 3HD1 LEU 17 14.604 0.834 0.368 106 2HD1 LEU 17 2HD1 LEU 17 15.077 -0.509 -0.657 107 3HD1 LEU 17 1HD1 LEU 17 13.747 -0.691 0.481 108 1HD2 LEU 17 3HD2 LEU 17 16.816 -2.536 1.813 109 2HD2 LEU 17 2HD2 LEU 17 15.171 -2.804 1.283 110 3HD2 LEU 17 1HD2 LEU 17 16.384 -2.318 0.120 111 H ARG 18 H ARG 18 19.470 -0.008 0.346 112 HA ARG 18 HA ARG 18 20.897 2.483 1.032 113 1HB ARG 18 2HB ARG 18 22.874 1.136 -0.234 114 2HB ARG 18 1HB ARG 18 22.714 1.175 1.506 115 1HG ARG 18 2HG ARG 18 21.855 -0.968 1.619 116 2HG ARG 18 1HG ARG 18 21.306 -1.010 -0.033 117 1HD ARG 18 2HD ARG 18 24.261 -0.928 0.726 118 2HD ARG 18 1HD ARG 18 23.385 -2.413 0.355 119 HE ARG 18 HE ARG 18 22.979 -0.503 -1.738 120 1HH1 ARG 18 1HH2 ARG 18 23.967 -3.501 -1.471 121 2HH1 ARG 18 2HH2 ARG 18 25.390 -3.417 -2.456 122 1HH2 ARG 18 2HH1 ARG 18 25.369 0.094 -2.486 123 2HH2 ARG 18 1HH1 ARG 18 26.214 -1.314 -3.037 124 H CYS 19 H CYS 19 21.281 3.630 -0.727 125 HA CYS 19 HA CYS 19 19.685 3.080 -3.099 126 1HB CYS 19 2HB CYS 19 19.905 5.318 -2.107 127 2HB CYS 19 1HB CYS 19 21.593 5.349 -2.532 128 H GLY 20 H GLY 20 20.384 1.577 -4.485 129 1HA GLY 20 2HA GLY 20 23.208 1.287 -5.212 130 2HA GLY 20 1HA GLY 20 21.855 0.352 -5.857 131 H ARG 21 H ARG 21 24.079 2.654 -6.608 132 HA ARG 21 HA ARG 21 22.812 4.533 -8.223 133 1HB ARG 21 2HB ARG 21 25.064 4.469 -9.521 134 2HB ARG 21 1HB ARG 21 25.120 4.878 -7.820 135 1HG ARG 21 2HG ARG 21 25.929 2.717 -7.193 136 2HG ARG 21 1HG ARG 21 25.475 1.993 -8.724 137 1HD ARG 21 2HD ARG 21 27.584 4.183 -8.516 138 2HD ARG 21 1HD ARG 21 27.956 2.462 -8.451 139 HE ARG 21 HE ARG 21 26.466 3.601 -10.778 140 1HH1 ARG 21 2HH1 ARG 21 27.478 0.708 -10.231 141 2HH1 ARG 21 1HH1 ARG 21 28.809 0.635 -11.338 142 1HH2 ARG 21 1HH2 ARG 21 28.836 4.109 -11.824 143 2HH2 ARG 21 2HH2 ARG 21 29.600 2.618 -12.265 144 H GLY 22 H GLY 22 22.449 4.691 -10.438 145 1HA GLY 22 2HA GLY 22 22.846 2.888 -12.495 146 2HA GLY 22 1HA GLY 22 21.383 2.299 -11.701 147 H ASN 23 H ASN 23 20.385 2.794 -13.789 148 HA ASN 23 HA ASN 23 19.129 5.426 -13.742 149 1HB ASN 23 2HB ASN 23 21.292 5.824 -14.998 150 2HB ASN 23 1HB ASN 23 20.760 4.674 -16.213 151 1HD2 ASN 23 2HD2 ASN 23 18.820 8.289 -15.894 152 2HD2 ASN 23 1HD2 ASN 23 19.642 7.662 -14.546 153 HA PRO 24 HA PRO 24 17.202 5.580 -13.262 154 1HB PRO 24 2HB PRO 24 15.014 4.287 -12.180 155 2HB PRO 24 1HB PRO 24 14.964 5.527 -13.423 156 1HG PRO 24 2HG PRO 24 14.546 2.606 -13.715 157 2HG PRO 24 1HG PRO 24 14.032 3.904 -14.785 158 1HD PRO 24 2HD PRO 24 16.243 2.143 -15.220 159 2HD PRO 24 1HD PRO 24 15.885 3.613 -16.143 160 H GLN 25 H GLN 25 17.949 5.563 -11.223 161 HA GLN 25 HA GLN 25 19.538 3.479 -10.177 162 1HB GLN 25 2HB GLN 25 18.118 5.694 -8.630 163 2HB GLN 25 1HB GLN 25 19.461 4.742 -8.021 164 1HG GLN 25 2HG GLN 25 20.884 5.571 -9.900 165 2HG GLN 25 1HG GLN 25 19.559 6.588 -10.450 166 1HE2 GLN 25 2HE2 GLN 25 21.963 8.395 -8.102 167 2HE2 GLN 25 1HE2 GLN 25 22.252 7.357 -9.415 168 H LYS 26 H LYS 26 19.204 2.274 -8.124 169 HA LYS 26 HA LYS 26 16.444 1.687 -7.346 170 1HB LYS 26 2HB LYS 26 18.084 -0.169 -9.051 171 2HB LYS 26 1HB LYS 26 17.149 -0.899 -7.764 172 1HG LYS 26 2HG LYS 26 15.153 0.539 -8.739 173 2HG LYS 26 1HG LYS 26 16.161 0.632 -10.175 174 1HD LYS 26 2HD LYS 26 16.359 -1.914 -10.089 175 2HD LYS 26 1HD LYS 26 15.147 -1.895 -8.827 176 1HE LYS 26 2HE LYS 26 13.786 -2.189 -10.703 177 2HE LYS 26 1HE LYS 26 13.773 -0.435 -10.614 178 1HZ LYS 26 1HZ LYS 26 15.618 -0.394 -12.185 179 2HZ LYS 26 3HZ LYS 26 15.565 -2.090 -12.300 180 3HZ LYS 26 2HZ LYS 26 14.249 -1.161 -12.837 181 H CYS 27 H CYS 27 16.346 1.313 -5.298 182 HA CYS 27 HA CYS 27 18.661 1.023 -3.654 183 1HB CYS 27 2HB CYS 27 15.742 0.712 -2.775 184 2HB CYS 27 1HB CYS 27 17.140 1.002 -1.805 185 H ILE 28 H ILE 28 19.202 -0.637 -2.383 186 HA ILE 28 HA ILE 28 17.951 -3.315 -2.723 187 HB ILE 28 HB ILE 28 20.358 -4.216 -2.667 188 1HG1 ILE 28 2HG1 ILE 28 21.108 -1.756 -1.916 189 2HG1 ILE 28 1HG1 ILE 28 22.176 -2.849 -2.726 190 1HG2 ILE 28 3HG2 ILE 28 19.389 -2.681 -5.099 191 2HG2 ILE 28 2HG2 ILE 28 20.810 -3.714 -5.131 192 3HG2 ILE 28 1HG2 ILE 28 19.238 -4.394 -4.763 193 1HD1 ILE 28 3HD1 ILE 28 20.512 -0.893 -4.294 194 2HD1 ILE 28 2HD1 ILE 28 22.031 -0.425 -3.546 195 3HD1 ILE 28 1HD1 ILE 28 22.007 -1.701 -4.759 196 H GLY 29 H GLY 29 19.635 -4.559 -0.900 197 1HA GLY 29 2HA GLY 29 19.114 -2.977 1.547 198 2HA GLY 29 1HA GLY 29 19.085 -4.702 1.503 199 H ALA 30 H ALA 30 20.549 -2.787 3.135 200 HA ALA 30 HA ALA 30 23.402 -3.059 2.441 201 1HB ALA 30 1HB ALA 30 21.830 -1.794 4.714 202 2HB ALA 30 3HB ALA 30 23.563 -2.034 4.875 203 3HB ALA 30 2HB ALA 30 22.932 -1.011 3.595 204 H HIS 31 H HIS 31 21.116 -4.139 4.827 205 HA HIS 31 HA HIS 31 22.900 -6.313 5.822 206 1HB HIS 31 2HB HIS 31 21.628 -4.792 7.449 207 2HB HIS 31 1HB HIS 31 20.129 -5.418 6.787 208 HD1 HIS 31 HD1 HIS 31 19.287 -7.164 8.327 209 HD2 HIS 31 HD2 HIS 31 23.367 -7.328 8.192 210 HE1 HIS 31 HE1 HIS 31 19.955 -9.031 9.795 211 1HN CGU 32 HN CGU 32 22.369 -6.630 3.328 212 HA CGU 32 HA CGU 32 20.138 -8.567 2.994 213 1HB CGU 32 1HB CGU 32 21.608 -7.002 0.870 214 2HB CGU 32 2HB CGU 32 20.297 -6.296 1.765 215 HG CGU 32 HG CGU 32 19.670 -8.958 0.624 216 H ASP 33 H ASP 33 21.679 -8.896 0.457 217 HA ASP 33 HA ASP 33 24.034 -10.494 1.137 218 1HB ASP 33 2HB ASP 33 21.721 -11.878 1.391 219 2HB ASP 33 1HB ASP 33 21.850 -12.018 -0.348 220 H VAL 34 H VAL 34 24.149 -8.327 -0.178 221 HA VAL 34 HA VAL 34 23.739 -8.584 -3.058 222 HB VAL 34 HB VAL 34 25.244 -6.478 -1.429 223 1HG1 VAL 34 3HG1 VAL 34 24.380 -6.560 -4.360 224 2HG1 VAL 34 2HG1 VAL 34 24.731 -5.059 -3.531 225 3HG1 VAL 34 1HG1 VAL 34 25.990 -6.260 -3.726 226 1HG2 VAL 34 3HG2 VAL 34 22.825 -6.656 -0.850 227 2HG2 VAL 34 2HG2 VAL 34 23.168 -5.150 -1.670 228 3HG2 VAL 34 1HG2 VAL 34 22.407 -6.465 -2.546 No H/Q in entry = 228 Start of MODEL 20 1 1H ALA 1 2H ALA 1 7.059 9.065 0.315 2 2H ALA 1 1H ALA 1 5.662 8.926 1.274 3 3H ALA 1 3H ALA 1 6.952 9.903 1.789 4 HA ALA 1 HA ALA 1 7.545 8.149 3.001 5 1HB ALA 1 1HB ALA 1 6.034 6.430 0.980 6 2HB ALA 1 3HB ALA 1 6.798 5.806 2.434 7 3HB ALA 1 2HB ALA 1 5.449 6.922 2.561 8 H CYS 2 H CYS 2 9.207 6.575 2.940 9 HA CYS 2 HA CYS 2 11.352 7.119 1.163 10 1HB CYS 2 2HB CYS 2 12.314 5.014 2.250 11 2HB CYS 2 1HB CYS 2 11.876 6.266 3.359 12 H SER 3 H SER 3 12.548 5.060 0.230 13 HA SER 3 HA SER 3 10.749 3.897 -1.853 14 1HB SER 3 2HB SER 3 13.697 4.587 -1.766 15 2HB SER 3 1HB SER 3 13.127 3.384 -2.919 16 HG SER 3 HG SER 3 12.980 5.419 -3.762 17 H GLY 4 H GLY 4 10.770 1.695 -2.285 18 1HA GLY 4 2HA GLY 4 11.761 -0.038 -0.061 19 2HA GLY 4 1HA GLY 4 10.478 -0.452 -1.199 20 H ARG 5 H ARG 5 12.363 -2.323 -0.919 21 HA ARG 5 HA ARG 5 14.662 -2.034 -2.577 22 1HB ARG 5 2HB ARG 5 14.023 -3.927 -0.833 23 2HB ARG 5 1HB ARG 5 13.250 -4.713 -2.180 24 1HG ARG 5 2HG ARG 5 15.879 -3.847 -3.048 25 2HG ARG 5 1HG ARG 5 16.076 -4.625 -1.490 26 1HD ARG 5 2HD ARG 5 16.279 -6.267 -3.331 27 2HD ARG 5 1HD ARG 5 14.831 -6.624 -2.386 28 HE ARG 5 HE ARG 5 13.844 -4.955 -4.290 29 1HH1 ARG 5 2HH1 ARG 5 16.270 -5.794 -5.906 30 2HH1 ARG 5 1HH1 ARG 5 15.632 -7.116 -6.827 31 1HH2 ARG 5 1HH2 ARG 5 12.816 -7.454 -4.768 32 2HH2 ARG 5 2HH2 ARG 5 13.625 -8.082 -6.166 33 H GLY 6 H GLY 6 14.378 -1.314 -4.568 34 1HA GLY 6 2HA GLY 6 13.981 -2.442 -6.875 35 2HA GLY 6 1HA GLY 6 12.296 -2.490 -6.362 36 H SER 7 H SER 7 13.164 0.195 -4.934 37 HA SER 7 HA SER 7 12.674 1.971 -7.296 38 1HB SER 7 2HB SER 7 11.810 2.327 -4.374 39 2HB SER 7 1HB SER 7 11.479 3.472 -5.687 40 HG SER 7 HG SER 7 10.778 0.726 -5.669 41 H ARG 8 H ARG 8 14.102 3.609 -7.598 42 HA ARG 8 HA ARG 8 16.588 3.589 -6.108 43 1HB ARG 8 2HB ARG 8 17.191 5.469 -7.671 44 2HB ARG 8 1HB ARG 8 16.639 4.020 -8.464 45 1HG ARG 8 2HG ARG 8 14.423 5.883 -7.846 46 2HG ARG 8 1HG ARG 8 15.636 6.590 -8.879 47 1HD ARG 8 2HD ARG 8 15.481 4.446 -10.320 48 2HD ARG 8 1HD ARG 8 14.000 4.093 -9.430 49 HE ARG 8 HE ARG 8 13.405 6.562 -10.200 50 1HH1 ARG 8 1HH2 ARG 8 15.798 6.474 -12.053 51 2HH1 ARG 8 2HH2 ARG 8 15.063 5.997 -13.548 52 1HH2 ARG 8 2HH1 ARG 8 12.119 4.909 -11.985 53 2HH2 ARG 8 1HH1 ARG 8 12.927 5.086 -13.509 54 H CYS 9 H CYS 9 17.397 6.135 -5.897 55 HA CYS 9 HA CYS 9 15.572 7.307 -3.911 56 1HB CYS 9 2HB CYS 9 17.485 8.030 -2.643 57 2HB CYS 9 1HB CYS 9 17.587 6.322 -2.942 58 HA HYP 10 HA HYP 10 15.188 8.937 -2.872 59 1HB HYP 10 1HB HYP 10 14.821 10.944 -2.013 60 2HB HYP 10 2HB HYP 10 13.450 11.158 -3.076 61 1HD HYP 10 1HD1 HYP 10 17.116 11.426 -5.050 62 2HD HYP 10 2HD1 HYP 10 15.614 11.371 -5.985 63 HOD HYP 10 HD2 HYP 10 16.711 11.658 -2.557 64 HG HYP 10 HG HYP 10 14.770 12.800 -4.280 65 HA HYP 11 HA HYP 11 12.575 9.804 -1.738 66 1HB HYP 11 1HB HYP 11 10.633 8.969 -1.022 67 2HB HYP 11 2HB HYP 11 11.350 7.375 -0.878 68 1HD HYP 11 1HD1 HYP 11 10.711 8.967 -4.573 69 2HD HYP 11 2HD1 HYP 11 11.391 7.339 -4.725 70 HOD HYP 11 HD2 HYP 11 8.893 8.281 -1.869 71 HG HYP 11 HG HYP 11 10.252 6.631 -2.784 72 H GLN 12 H GLN 12 14.013 9.485 -0.122 73 HA GLN 12 HA GLN 12 16.297 7.919 -0.450 74 1HB GLN 12 2HB GLN 12 15.951 9.795 1.249 75 2HB GLN 12 1HB GLN 12 15.044 8.669 2.239 76 1HG GLN 12 2HG GLN 12 17.008 7.231 2.519 77 2HG GLN 12 1HG GLN 12 17.927 8.179 1.354 78 1HE2 GLN 12 2HE2 GLN 12 17.235 9.743 5.093 79 2HE2 GLN 12 1HE2 GLN 12 16.192 8.549 4.487 80 H CYS 13 H CYS 13 16.716 5.742 -0.138 81 HA CYS 13 HA CYS 13 14.586 3.905 0.073 82 1HB CYS 13 2HB CYS 13 17.228 3.015 1.095 83 2HB CYS 13 1HB CYS 13 16.131 2.283 -0.034 84 H CYS 14 H CYS 14 13.633 2.889 1.619 85 HA CYS 14 HA CYS 14 13.308 3.931 4.191 86 1HB CYS 14 2HB CYS 14 12.749 1.118 3.214 87 2HB CYS 14 1HB CYS 14 12.071 1.824 4.649 88 H MET 15 H MET 15 13.483 2.508 6.202 89 HA MET 15 HA MET 15 16.170 2.266 6.946 90 1HB MET 15 2HB MET 15 14.122 2.464 8.479 91 2HB MET 15 1HB MET 15 13.840 0.753 8.220 92 1HG MET 15 2HG MET 15 16.097 0.252 9.116 93 2HG MET 15 1HG MET 15 16.388 1.952 9.359 94 1HE MET 15 2HE MET 15 14.828 3.416 10.729 95 2HE MET 15 1HE MET 15 14.476 2.959 12.376 96 3HE MET 15 3HE MET 15 16.155 2.991 11.832 97 H GLY 16 H GLY 16 17.646 0.791 6.651 98 1HA GLY 16 2HA GLY 16 18.489 -1.451 6.632 99 2HA GLY 16 1HA GLY 16 16.934 -2.000 6.037 100 H LEU 17 H LEU 17 16.935 0.308 4.044 101 HA LEU 17 HA LEU 17 18.548 -1.084 2.035 102 1HB LEU 17 2HB LEU 17 16.277 0.895 1.848 103 2HB LEU 17 1HB LEU 17 17.301 0.592 0.467 104 HG LEU 17 HG LEU 17 16.627 -1.989 1.408 105 1HD1 LEU 17 1HD1 LEU 17 14.710 -0.615 2.566 106 2HD1 LEU 17 3HD1 LEU 17 14.071 -0.458 0.935 107 3HD1 LEU 17 2HD1 LEU 17 14.293 -2.054 1.635 108 1HD2 LEU 17 3HD2 LEU 17 16.850 -0.813 -1.012 109 2HD2 LEU 17 2HD2 LEU 17 16.016 -2.330 -0.764 110 3HD2 LEU 17 1HD2 LEU 17 15.111 -0.824 -0.885 111 H ARG 18 H ARG 18 19.475 0.111 0.367 112 HA ARG 18 HA ARG 18 20.719 2.727 0.930 113 1HB ARG 18 2HB ARG 18 22.836 1.597 -0.126 114 2HB ARG 18 1HB ARG 18 22.548 1.424 1.588 115 1HG ARG 18 2HG ARG 18 21.812 -0.818 1.333 116 2HG ARG 18 1HG ARG 18 21.432 -0.623 -0.357 117 1HD ARG 18 2HD ARG 18 24.284 -0.559 0.712 118 2HD ARG 18 1HD ARG 18 23.523 -1.991 0.023 119 HE ARG 18 HE ARG 18 23.313 0.315 -1.722 120 1HH1 ARG 18 1HH2 ARG 18 26.135 -0.847 -0.550 121 2HH1 ARG 18 2HH2 ARG 18 26.718 -1.542 -2.026 122 1HH2 ARG 18 2HH1 ARG 18 23.669 -1.170 -3.686 123 2HH2 ARG 18 1HH1 ARG 18 25.296 -1.733 -3.825 124 H CYS 19 H CYS 19 21.279 3.748 -0.929 125 HA CYS 19 HA CYS 19 19.677 3.100 -3.276 126 1HB CYS 19 2HB CYS 19 20.186 5.402 -2.290 127 2HB CYS 19 1HB CYS 19 21.724 5.313 -3.097 128 H GLY 20 H GLY 20 20.404 1.355 -4.445 129 1HA GLY 20 2HA GLY 20 23.219 0.964 -5.129 130 2HA GLY 20 1HA GLY 20 21.841 0.061 -5.789 131 H ARG 21 H ARG 21 24.019 2.620 -6.373 132 HA ARG 21 HA ARG 21 22.439 4.071 -8.250 133 1HB ARG 21 2HB ARG 21 24.678 4.668 -6.920 134 2HB ARG 21 1HB ARG 21 25.453 4.128 -8.391 135 1HG ARG 21 2HG ARG 21 23.249 5.809 -9.190 136 2HG ARG 21 1HG ARG 21 24.024 6.625 -7.852 137 1HD ARG 21 2HD ARG 21 25.230 7.422 -9.701 138 2HD ARG 21 1HD ARG 21 26.250 6.072 -9.217 139 HE ARG 21 HE ARG 21 24.148 5.371 -11.153 140 1HH1 ARG 21 1HH2 ARG 21 26.283 3.666 -11.364 141 2HH1 ARG 21 2HH2 ARG 21 27.363 4.340 -12.543 142 1HH2 ARG 21 2HH1 ARG 21 25.914 7.532 -12.291 143 2HH2 ARG 21 1HH1 ARG 21 27.142 6.605 -13.087 144 H GLY 22 H GLY 22 21.602 2.856 -9.772 145 1HA GLY 22 2HA GLY 22 23.381 1.491 -11.770 146 2HA GLY 22 1HA GLY 22 21.749 0.944 -11.375 147 H ASN 23 H ASN 23 21.067 1.195 -13.541 148 HA ASN 23 HA ASN 23 20.129 3.876 -14.190 149 1HB ASN 23 2HB ASN 23 22.566 3.712 -15.068 150 2HB ASN 23 1HB ASN 23 21.962 2.571 -16.255 151 1HD2 ASN 23 2HD2 ASN 23 20.904 6.527 -16.495 152 2HD2 ASN 23 1HD2 ASN 23 21.524 5.897 -15.044 153 HA PRO 24 HA PRO 24 18.116 4.231 -14.025 154 1HB PRO 24 2HB PRO 24 15.788 3.047 -13.014 155 2HB PRO 24 1HB PRO 24 15.891 4.234 -14.304 156 1HG PRO 24 2HG PRO 24 15.346 1.346 -14.524 157 2HG PRO 24 1HG PRO 24 15.094 2.606 -15.722 158 1HD PRO 24 2HD PRO 24 17.191 0.659 -15.728 159 2HD PRO 24 1HD PRO 24 17.080 2.074 -16.788 160 H GLN 25 H GLN 25 18.566 4.501 -11.927 161 HA GLN 25 HA GLN 25 19.981 2.530 -10.454 162 1HB GLN 25 2HB GLN 25 18.541 4.972 -9.341 163 2HB GLN 25 1HB GLN 25 19.862 4.129 -8.553 164 1HG GLN 25 2HG GLN 25 21.468 4.962 -10.099 165 2HG GLN 25 1HG GLN 25 20.255 5.344 -11.311 166 1HE2 GLN 25 2HE2 GLN 25 21.023 8.021 -8.346 167 2HE2 GLN 25 1HE2 GLN 25 21.727 6.477 -8.304 168 H LYS 26 H LYS 26 19.381 1.791 -8.217 169 HA LYS 26 HA LYS 26 16.564 1.438 -7.597 170 1HB LYS 26 2HB LYS 26 17.998 -0.572 -9.200 171 2HB LYS 26 1HB LYS 26 17.404 -1.285 -7.717 172 1HG LYS 26 2HG LYS 26 15.189 -0.830 -8.184 173 2HG LYS 26 1HG LYS 26 15.525 0.469 -9.300 174 1HD LYS 26 2HD LYS 26 16.721 -1.616 -10.647 175 2HD LYS 26 1HD LYS 26 15.464 -2.482 -9.786 176 1HE LYS 26 2HE LYS 26 14.477 -1.819 -11.874 177 2HE LYS 26 1HE LYS 26 13.815 -0.703 -10.691 178 1HZ LYS 26 2HZ LYS 26 15.614 0.865 -11.329 179 2HZ LYS 26 1HZ LYS 26 16.048 -0.207 -12.574 180 3HZ LYS 26 3HZ LYS 26 14.509 0.514 -12.577 181 H CYS 27 H CYS 27 16.306 1.238 -5.382 182 HA CYS 27 HA CYS 27 18.686 1.041 -3.768 183 1HB CYS 27 2HB CYS 27 15.796 0.854 -2.772 184 2HB CYS 27 1HB CYS 27 17.222 1.090 -1.857 185 H ILE 28 H ILE 28 19.189 -0.610 -2.372 186 HA ILE 28 HA ILE 28 17.796 -3.224 -2.597 187 HB ILE 28 HB ILE 28 20.053 -4.307 -2.715 188 1HG1 ILE 28 2HG1 ILE 28 21.126 -2.093 -1.732 189 2HG1 ILE 28 1HG1 ILE 28 22.019 -3.155 -2.746 190 1HG2 ILE 28 2HG2 ILE 28 19.355 -2.472 -5.037 191 2HG2 ILE 28 1HG2 ILE 28 20.568 -3.740 -5.120 192 3HG2 ILE 28 3HG2 ILE 28 18.892 -4.147 -4.809 193 1HD1 ILE 28 1HD1 ILE 28 20.507 -0.888 -4.012 194 2HD1 ILE 28 3HD1 ILE 28 22.024 -0.586 -3.191 195 3HD1 ILE 28 2HD1 ILE 28 21.964 -1.711 -4.548 196 H GLY 29 H GLY 29 19.250 -4.594 -0.843 197 1HA GLY 29 2HA GLY 29 18.921 -2.975 1.600 198 2HA GLY 29 1HA GLY 29 18.940 -4.693 1.577 199 H ALA 30 H ALA 30 20.472 -2.686 3.085 200 HA ALA 30 HA ALA 30 23.260 -2.808 2.204 201 1HB ALA 30 1HB ALA 30 21.919 -1.906 4.796 202 2HB ALA 30 3HB ALA 30 23.659 -1.826 4.546 203 3HB ALA 30 2HB ALA 30 22.581 -0.871 3.537 204 H HIS 31 H HIS 31 21.262 -4.162 4.722 205 HA HIS 31 HA HIS 31 23.269 -6.263 5.382 206 1HB HIS 31 2HB HIS 31 21.818 -4.772 7.097 207 2HB HIS 31 1HB HIS 31 20.586 -5.988 6.802 208 HD1 HIS 31 HD1 HIS 31 23.582 -5.456 8.721 209 HD2 HIS 31 HD2 HIS 31 21.585 -8.747 7.364 210 HE1 HIS 31 HE1 HIS 31 24.428 -7.368 10.029 211 1HN CGU 32 HN CGU 32 22.418 -6.458 2.940 212 HA CGU 32 HA CGU 32 20.323 -8.565 2.729 213 1HB CGU 32 1HB CGU 32 21.518 -6.773 0.590 214 2HB CGU 32 2HB CGU 32 20.183 -6.267 1.582 215 HG CGU 32 HG CGU 32 19.673 -8.893 0.394 216 H ASP 33 H ASP 33 21.673 -8.711 0.084 217 HA ASP 33 HA ASP 33 24.005 -10.445 0.665 218 1HB ASP 33 2HB ASP 33 22.286 -11.123 -1.719 219 2HB ASP 33 1HB ASP 33 23.038 -12.174 -0.542 220 H VAL 34 H VAL 34 23.793 -7.720 0.108 221 HA VAL 34 HA VAL 34 24.472 -7.163 -2.670 222 HB VAL 34 HB VAL 34 23.207 -5.585 -1.205 223 1HG1 VAL 34 1HG1 VAL 34 24.442 -6.031 0.937 224 2HG1 VAL 34 3HG1 VAL 34 25.820 -5.142 0.308 225 3HG1 VAL 34 2HG1 VAL 34 24.296 -4.323 0.578 226 1HG2 VAL 34 2HG2 VAL 34 24.672 -4.798 -3.175 227 2HG2 VAL 34 1HG2 VAL 34 24.188 -3.588 -2.001 228 3HG2 VAL 34 3HG2 VAL 34 25.818 -4.242 -1.962 No H/Q in entry = 228
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