NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630408 | 6cj8 | 30416 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 29.582 -10.544 -2.385 2 H2 GLU 1 HT2 GLU 1 28.579 -9.174 -2.416 3 H3 GLU 1 HT3 GLU 1 29.072 -9.831 -0.930 4 HA GLU 1 HA GLU 1 31.425 -9.409 -1.830 5 HB2 GLU 1 HB2 GLU 1 29.637 -7.513 -3.485 6 HB3 GLU 1 HB1 GLU 1 31.344 -7.071 -3.105 7 HG2 GLU 1 HG2 GLU 1 32.162 -9.171 -4.254 8 HG3 GLU 1 HG1 GLU 1 30.456 -9.619 -4.650 9 H MET 2 HN MET 2 28.856 -6.812 -1.427 10 HA MET 2 HA MET 2 30.041 -6.205 1.205 11 HB2 MET 2 HB2 MET 2 28.977 -4.111 -0.804 12 HB3 MET 2 HB1 MET 2 29.552 -3.755 0.869 13 HG2 MET 2 HG2 MET 2 31.296 -4.874 -1.430 14 HG3 MET 2 HG1 MET 2 31.202 -3.160 -0.927 15 HE1 MET 2 HE1 MET 2 34.803 -4.260 0.125 16 HE2 MET 2 HE2 MET 2 33.783 -3.122 -0.822 17 HE3 MET 2 HE3 MET 2 33.845 -4.861 -1.274 18 H ARG 3 HN ARG 3 28.411 -4.631 2.375 19 HA ARG 3 HA ARG 3 25.771 -5.890 2.167 20 HB2 ARG 3 HB2 ARG 3 27.443 -6.594 4.076 21 HB3 ARG 3 HB1 ARG 3 27.198 -4.941 4.715 22 HG2 ARG 3 HG2 ARG 3 24.660 -6.511 4.175 23 HG3 ARG 3 HG1 ARG 3 25.738 -7.211 5.430 24 HD2 ARG 3 HD2 ARG 3 25.685 -5.092 6.748 25 HD3 ARG 3 HD1 ARG 3 24.718 -4.266 5.444 26 HE ARG 3 HE ARG 3 23.342 -6.685 6.293 27 HH11 ARG 3 HH11 ARG 3 24.122 -3.365 7.480 28 HH12 ARG 3 HH12 ARG 3 22.731 -3.267 8.508 29 HH21 ARG 3 HH21 ARG 3 21.482 -6.496 7.695 30 HH22 ARG 3 HH22 ARG 3 21.220 -5.062 8.630 31 H LEU 4 HN LEU 4 27.673 -3.006 2.874 32 HA LEU 4 HA LEU 4 25.287 -1.392 3.232 33 HB2 LEU 4 HB2 LEU 4 26.490 0.077 4.577 34 HB3 LEU 4 HB1 LEU 4 27.070 -1.560 5.038 35 HG LEU 4 HG LEU 4 28.957 -0.072 5.077 36 HD11 LEU 4 HD11 LEU 4 30.601 -1.157 3.696 37 HD12 LEU 4 HD12 LEU 4 29.380 -1.618 2.449 38 HD13 LEU 4 HD13 LEU 4 29.345 -2.398 4.079 39 HD21 LEU 4 HD21 LEU 4 29.098 0.755 2.192 40 HD22 LEU 4 HD22 LEU 4 29.405 1.698 3.700 41 HD23 LEU 4 HD23 LEU 4 27.718 1.457 3.107 42 H SER 5 HN SER 5 27.509 -2.115 0.833 43 HA SER 5 HA SER 5 27.892 0.545 -0.044 44 HB2 SER 5 HB2 SER 5 29.571 -1.405 -0.428 45 HB3 SER 5 HB1 SER 5 28.503 -1.907 -1.789 46 HG SER 5 HG SER 5 28.824 0.571 -2.229 47 H LYS 6 HN LYS 6 25.291 -1.563 -0.322 48 HA LYS 6 HA LYS 6 24.441 -0.412 -2.867 49 HB2 LYS 6 HB2 LYS 6 22.738 -1.946 -2.855 50 HB3 LYS 6 HB1 LYS 6 23.994 -2.813 -1.919 51 HG2 LYS 6 HG2 LYS 6 21.796 -1.127 -0.549 52 HG3 LYS 6 HG1 LYS 6 21.515 -2.845 -1.001 53 HD2 LYS 6 HD2 LYS 6 23.301 -3.597 0.548 54 HD3 LYS 6 HD1 LYS 6 23.840 -1.904 0.858 55 HE2 LYS 6 HE2 LYS 6 22.547 -2.461 2.795 56 HE3 LYS 6 HE1 LYS 6 21.402 -1.484 1.796 57 HZ1 LYS 6 HZ1 LYS 6 21.378 -4.392 1.401 58 HZ2 LYS 6 HZ2 LYS 6 20.105 -3.267 1.390 59 HZ3 LYS 6 HZ3 LYS 6 20.757 -3.797 2.865 60 H PHE 7 HN PHE 7 24.420 0.489 0.399 61 HA PHE 7 HA PHE 7 21.837 1.810 0.321 62 HB2 PHE 7 HB2 PHE 7 21.620 1.246 2.606 63 HB3 PHE 7 HB1 PHE 7 23.191 0.340 2.481 64 HD1 PHE 7 HD1 PHE 7 21.673 3.608 3.354 65 HD2 PHE 7 HD2 PHE 7 25.082 1.222 3.208 66 HE1 PHE 7 HE1 PHE 7 23.041 5.503 3.775 67 HE2 PHE 7 HE2 PHE 7 26.455 3.037 3.644 68 HZ PHE 7 HZ PHE 7 25.418 5.192 3.856 69 H PHE 8 HN PHE 8 25.230 1.824 0.323 70 HA PHE 8 HA PHE 8 25.224 4.603 0.758 71 HB2 PHE 8 HB2 PHE 8 27.213 3.947 1.587 72 HB3 PHE 8 HB1 PHE 8 27.106 2.351 0.767 73 HD1 PHE 8 HD1 PHE 8 28.740 5.602 0.773 74 HD2 PHE 8 HD2 PHE 8 27.676 2.286 -1.607 75 HE1 PHE 8 HE1 PHE 8 30.121 6.381 -1.062 76 HE2 PHE 8 HE2 PHE 8 28.965 3.027 -3.338 77 HZ PHE 8 HZ PHE 8 30.190 5.069 -3.098 78 H ARG 9 HN ARG 9 24.663 2.401 -1.592 79 HA ARG 9 HA ARG 9 25.382 4.307 -3.562 80 HB2 ARG 9 HB2 ARG 9 24.567 1.430 -3.792 81 HB3 ARG 9 HB1 ARG 9 24.250 2.452 -5.231 82 HG2 ARG 9 HG2 ARG 9 26.660 2.990 -5.392 83 HG3 ARG 9 HG1 ARG 9 26.979 2.050 -3.899 84 HD2 ARG 9 HD2 ARG 9 26.262 -0.078 -5.009 85 HD3 ARG 9 HD1 ARG 9 25.823 0.847 -6.521 86 HE ARG 9 HE ARG 9 28.537 1.496 -5.921 87 HH11 ARG 9 HH11 ARG 9 26.640 -1.442 -6.824 88 HH12 ARG 9 HH12 ARG 9 27.969 -2.216 -7.620 89 HH21 ARG 9 HH21 ARG 9 30.298 0.401 -7.012 90 HH22 ARG 9 HH22 ARG 9 30.063 -1.159 -7.726 91 H ASP 10 HN ASP 10 22.902 3.804 -1.612 92 HA ASP 10 HA ASP 10 20.861 4.226 -3.546 93 HB2 ASP 10 HB2 ASP 10 21.167 3.747 -0.612 94 HB3 ASP 10 HB1 ASP 10 19.643 4.507 -1.185 95 H PHE 11 HN PHE 11 22.498 5.522 -0.954 96 HA PHE 11 HA PHE 11 20.866 7.922 -1.523 97 HB2 PHE 11 HB2 PHE 11 22.100 6.996 1.007 98 HB3 PHE 11 HB1 PHE 11 21.027 8.477 0.923 99 HD1 PHE 11 HD1 PHE 11 21.450 5.389 1.898 100 HD2 PHE 11 HD2 PHE 11 18.479 7.595 -0.119 101 HE1 PHE 11 HE1 PHE 11 19.972 3.723 2.406 102 HE2 PHE 11 HE2 PHE 11 16.855 5.864 0.466 103 HZ PHE 11 HZ PHE 11 17.558 3.889 1.770 104 H ILE 12 HN ILE 12 23.990 6.829 -0.676 105 HA ILE 12 HA ILE 12 24.782 9.244 0.318 106 HB ILE 12 HB ILE 12 26.150 6.835 -0.579 107 HG12 ILE 12 HG12 ILE 12 26.078 6.089 1.494 108 HG13 ILE 12 HG11 ILE 12 26.446 7.651 2.278 109 HG21 ILE 12 HG21 ILE 12 27.955 8.328 -1.071 110 HG22 ILE 12 HG22 ILE 12 28.318 7.803 0.617 111 HG23 ILE 12 HG23 ILE 12 27.585 9.418 0.328 112 HD11 ILE 12 HD11 ILE 12 23.868 6.309 1.417 113 HD12 ILE 12 HD12 ILE 12 23.900 8.113 1.665 114 HD13 ILE 12 HD13 ILE 12 24.314 7.044 3.018 115 H LEU 13 HN LEU 13 25.070 7.874 -2.706 116 HA LEU 13 HA LEU 13 26.720 9.749 -3.986 117 HB2 LEU 13 HB2 LEU 13 24.348 8.359 -5.265 118 HB3 LEU 13 HB1 LEU 13 25.938 8.749 -6.028 119 HG LEU 13 HG LEU 13 25.189 6.599 -4.016 120 HD11 LEU 13 HD11 LEU 13 26.162 6.450 -6.929 121 HD12 LEU 13 HD12 LEU 13 24.518 6.086 -6.266 122 HD13 LEU 13 HD13 LEU 13 25.915 5.029 -5.847 123 HD21 LEU 13 HD21 LEU 13 27.697 5.747 -4.414 124 HD22 LEU 13 HD22 LEU 13 27.333 6.972 -3.144 125 HD23 LEU 13 HD23 LEU 13 28.043 7.493 -4.732 126 H GLN 14 HN GLN 14 23.352 9.672 -3.159 127 HA GLN 14 HA GLN 14 22.679 12.002 -4.809 128 HB2 GLN 14 HB2 GLN 14 21.020 9.874 -3.339 129 HB3 GLN 14 HB1 GLN 14 20.259 11.356 -4.061 130 HG2 GLN 14 HG2 GLN 14 21.337 10.650 -6.330 131 HG3 GLN 14 HG1 GLN 14 21.814 9.099 -5.520 132 HE21 GLN 14 HE21 GLN 14 20.445 7.669 -6.674 133 HE22 GLN 14 HE22 GLN 14 18.715 7.723 -6.610 134 H ARG 15 HN ARG 15 23.849 11.540 -1.587 135 HA ARG 15 HA ARG 15 22.179 13.543 -0.303 136 HB2 ARG 15 HB2 ARG 15 25.003 12.492 0.489 137 HB3 ARG 15 HB1 ARG 15 24.024 13.625 1.493 138 HG2 ARG 15 HG2 ARG 15 22.274 11.912 1.799 139 HG3 ARG 15 HG1 ARG 15 23.120 10.828 0.669 140 HD2 ARG 15 HD2 ARG 15 23.603 9.956 2.925 141 HD3 ARG 15 HD1 ARG 15 25.121 10.770 2.334 142 HE ARG 15 HE ARG 15 23.581 12.755 3.752 143 HH11 ARG 15 HH11 ARG 15 25.340 9.679 4.450 144 HH12 ARG 15 HH12 ARG 15 25.719 10.115 6.083 145 HH21 ARG 15 HH21 ARG 15 24.119 13.288 5.967 146 HH22 ARG 15 HH22 ARG 15 25.018 12.181 6.950 147 H LYS 16 HN LYS 16 25.371 13.203 -1.779 148 HA LYS 16 HA LYS 16 25.487 16.109 -2.305 149 HB2 LYS 16 HB2 LYS 16 27.667 13.939 -2.202 150 HB3 LYS 16 HB1 LYS 16 27.951 15.615 -2.822 151 HG2 LYS 16 HG2 LYS 16 27.263 16.565 -0.624 152 HG3 LYS 16 HG1 LYS 16 26.953 14.911 0.014 153 HD2 LYS 16 HD2 LYS 16 29.334 14.309 -0.348 154 HD3 LYS 16 HD1 LYS 16 29.664 15.952 -1.005 155 HE2 LYS 16 HE2 LYS 16 29.070 16.967 1.238 156 HE3 LYS 16 HE1 LYS 16 28.743 15.309 1.894 157 HZ1 LYS 16 HZ1 LYS 16 31.348 16.018 0.671 158 HZ2 LYS 16 HZ2 LYS 16 30.967 14.757 1.743 159 HZ3 LYS 16 HZ3 LYS 16 30.997 16.362 2.297 160 H LYS 17 HN LYS 17 23.782 15.625 -3.821 161 HA LYS 17 HA LYS 17 24.119 13.941 -6.045 162 HB2 LYS 17 HB2 LYS 17 22.228 15.432 -7.071 163 HB3 LYS 17 HB1 LYS 17 21.867 14.478 -5.594 164 HG2 LYS 17 HG2 LYS 17 22.234 16.493 -4.158 165 HG3 LYS 17 HG1 LYS 17 22.650 17.465 -5.613 166 HD2 LYS 17 HD2 LYS 17 20.338 17.104 -6.519 167 HD3 LYS 17 HD1 LYS 17 19.925 16.104 -5.077 168 HE2 LYS 17 HE2 LYS 17 20.325 18.077 -3.581 169 HE3 LYS 17 HE1 LYS 17 20.758 19.086 -5.021 170 HZ1 LYS 17 HZ1 LYS 17 18.493 18.545 -5.877 171 HZ2 LYS 17 HZ2 LYS 17 18.525 19.503 -4.476 172 HZ3 LYS 17 HZ3 LYS 17 18.129 17.856 -4.369 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 29.662 -9.676 -1.417 2 H2 GLU 1 HT2 GLU 1 30.458 -10.073 0.029 3 H3 GLU 1 HT3 GLU 1 30.947 -10.787 -1.432 4 HA GLU 1 HA GLU 1 32.530 -9.190 -1.001 5 HB2 GLU 1 HB2 GLU 1 30.406 -8.148 -2.990 6 HB3 GLU 1 HB1 GLU 1 31.972 -7.283 -2.761 7 HG2 GLU 1 HG2 GLU 1 33.244 -9.355 -3.448 8 HG3 GLU 1 HG1 GLU 1 31.686 -10.241 -3.678 9 H MET 2 HN MET 2 29.424 -7.228 -1.137 10 HA MET 2 HA MET 2 30.326 -5.834 1.301 11 HB2 MET 2 HB2 MET 2 28.913 -4.485 -1.093 12 HB3 MET 2 HB1 MET 2 29.344 -3.674 0.459 13 HG2 MET 2 HG2 MET 2 31.363 -4.837 -1.581 14 HG3 MET 2 HG1 MET 2 30.886 -3.118 -1.446 15 HE1 MET 2 HE1 MET 2 33.399 -2.499 -1.388 16 HE2 MET 2 HE2 MET 2 33.835 -4.241 -1.475 17 HE3 MET 2 HE3 MET 2 34.608 -3.182 -0.245 18 H ARG 3 HN ARG 3 28.354 -4.464 2.124 19 HA ARG 3 HA ARG 3 25.971 -6.121 2.006 20 HB2 ARG 3 HB2 ARG 3 27.618 -6.607 3.988 21 HB3 ARG 3 HB1 ARG 3 27.210 -4.961 4.557 22 HG2 ARG 3 HG2 ARG 3 24.811 -6.716 4.028 23 HG3 ARG 3 HG1 ARG 3 25.930 -7.360 5.278 24 HD2 ARG 3 HD2 ARG 3 25.771 -5.197 6.574 25 HD3 ARG 3 HD1 ARG 3 24.659 -4.513 5.303 26 HE ARG 3 HE ARG 3 23.531 -7.012 6.173 27 HH11 ARG 3 HH11 ARG 3 24.247 -3.766 7.592 28 HH12 ARG 3 HH12 ARG 3 22.958 -3.846 8.747 29 HH21 ARG 3 HH21 ARG 3 21.809 -7.061 7.755 30 HH22 ARG 3 HH22 ARG 3 21.564 -5.733 8.840 31 H LEU 4 HN LEU 4 27.543 -3.127 2.658 32 HA LEU 4 HA LEU 4 25.104 -1.636 3.037 33 HB2 LEU 4 HB2 LEU 4 26.519 -0.038 4.108 34 HB3 LEU 4 HB1 LEU 4 26.942 -1.683 4.703 35 HG LEU 4 HG LEU 4 28.713 -1.474 2.574 36 HD11 LEU 4 HD11 LEU 4 28.556 1.380 3.709 37 HD12 LEU 4 HD12 LEU 4 27.936 0.855 2.094 38 HD13 LEU 4 HD13 LEU 4 29.708 0.751 2.462 39 HD21 LEU 4 HD21 LEU 4 29.222 -2.285 4.818 40 HD22 LEU 4 HD22 LEU 4 29.205 -0.591 5.474 41 HD23 LEU 4 HD23 LEU 4 30.468 -1.085 4.276 42 H SER 5 HN SER 5 27.148 -2.374 0.452 43 HA SER 5 HA SER 5 27.533 0.233 -0.496 44 HB2 SER 5 HB2 SER 5 28.465 -0.652 -2.587 45 HB3 SER 5 HB1 SER 5 29.109 -1.610 -1.211 46 HG SER 5 HG SER 5 27.659 -2.393 -3.332 47 H LYS 6 HN LYS 6 24.810 -1.669 -0.444 48 HA LYS 6 HA LYS 6 23.707 -0.487 -2.892 49 HB2 LYS 6 HB2 LYS 6 21.895 -1.877 -2.600 50 HB3 LYS 6 HB1 LYS 6 23.222 -2.831 -1.870 51 HG2 LYS 6 HG2 LYS 6 21.373 -1.015 -0.177 52 HG3 LYS 6 HG1 LYS 6 20.933 -2.715 -0.560 53 HD2 LYS 6 HD2 LYS 6 22.950 -3.540 0.667 54 HD3 LYS 6 HD1 LYS 6 23.542 -1.862 0.931 55 HE2 LYS 6 HE2 LYS 6 22.538 -2.560 3.024 56 HE3 LYS 6 HE1 LYS 6 21.359 -1.412 2.278 57 HZ1 LYS 6 HZ1 LYS 6 20.522 -3.601 3.275 58 HZ2 LYS 6 HZ2 LYS 6 21.098 -4.338 1.858 59 HZ3 LYS 6 HZ3 LYS 6 19.916 -3.124 1.761 60 H PHE 7 HN PHE 7 24.119 0.450 0.345 61 HA PHE 7 HA PHE 7 21.648 1.964 0.531 62 HB2 PHE 7 HB2 PHE 7 21.649 1.407 2.833 63 HB3 PHE 7 HB1 PHE 7 23.137 0.401 2.537 64 HD1 PHE 7 HD1 PHE 7 21.952 3.778 3.541 65 HD2 PHE 7 HD2 PHE 7 25.138 1.145 3.045 66 HE1 PHE 7 HE1 PHE 7 23.497 5.570 3.797 67 HE2 PHE 7 HE2 PHE 7 26.690 2.842 3.327 68 HZ PHE 7 HZ PHE 7 25.841 5.083 3.627 69 H PHE 8 HN PHE 8 25.016 1.714 0.187 70 HA PHE 8 HA PHE 8 25.270 4.486 0.574 71 HB2 PHE 8 HB2 PHE 8 27.261 3.652 1.214 72 HB3 PHE 8 HB1 PHE 8 26.936 2.074 0.419 73 HD1 PHE 8 HD1 PHE 8 28.877 5.133 0.287 74 HD2 PHE 8 HD2 PHE 8 27.243 1.998 -2.018 75 HE1 PHE 8 HE1 PHE 8 30.175 5.778 -1.655 76 HE2 PHE 8 HE2 PHE 8 28.449 2.615 -3.845 77 HZ PHE 8 HZ PHE 8 29.920 4.493 -3.688 78 H ARG 9 HN ARG 9 24.305 2.321 -1.682 79 HA ARG 9 HA ARG 9 24.962 4.159 -3.739 80 HB2 ARG 9 HB2 ARG 9 23.929 1.347 -3.849 81 HB3 ARG 9 HB1 ARG 9 23.517 2.380 -5.254 82 HG2 ARG 9 HG2 ARG 9 25.938 2.768 -5.676 83 HG3 ARG 9 HG1 ARG 9 26.348 1.778 -4.237 84 HD2 ARG 9 HD2 ARG 9 25.361 -0.274 -5.293 85 HD3 ARG 9 HD1 ARG 9 24.822 0.714 -6.733 86 HE ARG 9 HE ARG 9 27.655 1.111 -6.361 87 HH11 ARG 9 HH11 ARG 9 25.365 -1.494 -7.378 88 HH12 ARG 9 HH12 ARG 9 26.520 -2.295 -8.388 89 HH21 ARG 9 HH21 ARG 9 29.174 -0.018 -7.750 90 HH22 ARG 9 HH22 ARG 9 28.699 -1.450 -8.600 91 H ASP 10 HN ASP 10 22.665 3.856 -1.535 92 HA ASP 10 HA ASP 10 20.475 4.443 -3.252 93 HB2 ASP 10 HB2 ASP 10 21.043 3.945 -0.360 94 HB3 ASP 10 HB1 ASP 10 19.535 4.829 -0.779 95 H PHE 11 HN PHE 11 22.474 5.605 -0.857 96 HA PHE 11 HA PHE 11 20.985 8.129 -1.278 97 HB2 PHE 11 HB2 PHE 11 22.394 7.112 1.122 98 HB3 PHE 11 HB1 PHE 11 21.443 8.676 1.133 99 HD1 PHE 11 HD1 PHE 11 21.709 5.566 2.091 100 HD2 PHE 11 HD2 PHE 11 18.734 8.007 0.374 101 HE1 PHE 11 HE1 PHE 11 20.164 4.032 2.772 102 HE2 PHE 11 HE2 PHE 11 17.043 6.420 1.149 103 HZ PHE 11 HZ PHE 11 17.714 4.396 2.395 104 H ILE 12 HN ILE 12 24.084 6.794 -0.745 105 HA ILE 12 HA ILE 12 25.173 9.131 0.142 106 HB ILE 12 HB ILE 12 26.228 6.618 -0.872 107 HG12 ILE 12 HG12 ILE 12 26.318 5.892 1.208 108 HG13 ILE 12 HG11 ILE 12 26.899 7.421 1.925 109 HG21 ILE 12 HG21 ILE 12 28.591 7.387 0.062 110 HG22 ILE 12 HG22 ILE 12 27.980 9.061 -0.160 111 HG23 ILE 12 HG23 ILE 12 28.091 7.942 -1.582 112 HD11 ILE 12 HD11 ILE 12 24.136 6.301 1.358 113 HD12 ILE 12 HD12 ILE 12 24.349 8.101 1.580 114 HD13 ILE 12 HD13 ILE 12 24.811 7.001 2.893 115 H LEU 13 HN LEU 13 25.025 7.760 -2.885 116 HA LEU 13 HA LEU 13 26.679 9.495 -4.340 117 HB2 LEU 13 HB2 LEU 13 24.080 8.302 -5.353 118 HB3 LEU 13 HB1 LEU 13 25.607 8.562 -6.283 119 HG LEU 13 HG LEU 13 24.908 6.476 -4.187 120 HD11 LEU 13 HD11 LEU 13 23.959 6.022 -6.350 121 HD12 LEU 13 HD12 LEU 13 25.306 4.854 -6.074 122 HD13 LEU 13 HD13 LEU 13 25.546 6.252 -7.187 123 HD21 LEU 13 HD21 LEU 13 27.730 7.140 -5.209 124 HD22 LEU 13 HD22 LEU 13 27.284 5.428 -4.849 125 HD23 LEU 13 HD23 LEU 13 27.156 6.675 -3.552 126 H GLN 14 HN GLN 14 23.417 9.702 -3.170 127 HA GLN 14 HA GLN 14 22.774 12.084 -4.769 128 HB2 GLN 14 HB2 GLN 14 21.068 10.077 -3.179 129 HB3 GLN 14 HB1 GLN 14 20.372 11.590 -3.899 130 HG2 GLN 14 HG2 GLN 14 21.237 10.760 -6.203 131 HG3 GLN 14 HG1 GLN 14 21.680 9.201 -5.389 132 HE21 GLN 14 HE21 GLN 14 19.936 8.828 -7.391 133 HE22 GLN 14 HE22 GLN 14 18.310 8.588 -6.842 134 H ARG 15 HN ARG 15 24.226 11.661 -1.672 135 HA ARG 15 HA ARG 15 22.562 13.468 -0.145 136 HB2 ARG 15 HB2 ARG 15 25.525 12.641 0.294 137 HB3 ARG 15 HB1 ARG 15 24.589 13.673 1.440 138 HG2 ARG 15 HG2 ARG 15 22.994 11.834 1.848 139 HG3 ARG 15 HG1 ARG 15 23.809 10.854 0.608 140 HD2 ARG 15 HD2 ARG 15 24.551 9.965 2.806 141 HD3 ARG 15 HD1 ARG 15 25.950 10.879 2.066 142 HE ARG 15 HE ARG 15 24.433 12.741 3.681 143 HH11 ARG 15 HH11 ARG 15 26.533 9.832 4.121 144 HH12 ARG 15 HH12 ARG 15 27.072 10.304 5.698 145 HH21 ARG 15 HH21 ARG 15 25.199 13.321 5.816 146 HH22 ARG 15 HH22 ARG 15 26.308 12.298 6.666 147 H LYS 16 HN LYS 16 25.656 13.653 -1.913 148 HA LYS 16 HA LYS 16 25.430 16.596 -1.924 149 HB2 LYS 16 HB2 LYS 16 27.839 16.686 -2.442 150 HB3 LYS 16 HB1 LYS 16 27.490 15.839 -0.904 151 HG2 LYS 16 HG2 LYS 16 27.786 13.609 -2.062 152 HG3 LYS 16 HG1 LYS 16 28.182 14.474 -3.593 153 HD2 LYS 16 HD2 LYS 16 30.096 15.607 -2.439 154 HD3 LYS 16 HD1 LYS 16 29.693 14.721 -0.930 155 HE2 LYS 16 HE2 LYS 16 30.205 12.524 -2.066 156 HE3 LYS 16 HE1 LYS 16 30.586 13.406 -3.603 157 HZ1 LYS 16 HZ1 LYS 16 32.115 13.170 -1.130 158 HZ2 LYS 16 HZ2 LYS 16 32.170 14.679 -1.908 159 HZ3 LYS 16 HZ3 LYS 16 32.629 13.274 -2.745 160 H LYS 17 HN LYS 17 23.946 14.632 -3.661 161 HA LYS 17 HA LYS 17 23.140 14.461 -5.643 162 HB2 LYS 17 HB2 LYS 17 24.586 17.093 -6.335 163 HB3 LYS 17 HB1 LYS 17 23.328 16.313 -7.362 164 HG2 LYS 17 HG2 LYS 17 21.641 16.549 -5.549 165 HG3 LYS 17 HG1 LYS 17 22.882 17.249 -4.444 166 HD2 LYS 17 HD2 LYS 17 23.185 19.174 -6.004 167 HD3 LYS 17 HD1 LYS 17 21.956 18.492 -7.119 168 HE2 LYS 17 HE2 LYS 17 21.337 19.253 -4.174 169 HE3 LYS 17 HE1 LYS 17 21.127 20.391 -5.565 170 HZ1 LYS 17 HZ1 LYS 17 19.774 17.758 -5.205 171 HZ2 LYS 17 HZ2 LYS 17 19.594 18.788 -6.543 172 HZ3 LYS 17 HZ3 LYS 17 19.084 19.298 -5.006 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 31.576 -8.753 -2.831 2 H2 GLU 1 HT2 GLU 1 32.615 -9.956 -2.233 3 H3 GLU 1 HT3 GLU 1 32.968 -8.319 -1.959 4 HA GLU 1 HA GLU 1 30.524 -9.630 -0.974 5 HB2 GLU 1 HB2 GLU 1 33.282 -9.305 0.387 6 HB3 GLU 1 HB1 GLU 1 31.774 -9.507 1.357 7 HG2 GLU 1 HG2 GLU 1 31.332 -11.733 0.262 8 HG3 GLU 1 HG1 GLU 1 32.823 -11.548 -0.741 9 H MET 2 HN MET 2 29.009 -8.123 -0.401 10 HA MET 2 HA MET 2 29.851 -5.692 0.919 11 HB2 MET 2 HB2 MET 2 28.343 -4.191 -0.531 12 HB3 MET 2 HB1 MET 2 29.876 -4.717 -1.324 13 HG2 MET 2 HG2 MET 2 28.582 -6.623 -2.484 14 HG3 MET 2 HG1 MET 2 27.074 -5.937 -1.804 15 HE1 MET 2 HE1 MET 2 26.057 -5.977 -4.142 16 HE2 MET 2 HE2 MET 2 27.582 -6.619 -4.841 17 HE3 MET 2 HE3 MET 2 26.763 -5.217 -5.610 18 H ARG 3 HN ARG 3 27.910 -4.419 1.602 19 HA ARG 3 HA ARG 3 25.516 -5.955 1.994 20 HB2 ARG 3 HB2 ARG 3 27.316 -6.700 3.773 21 HB3 ARG 3 HB1 ARG 3 27.243 -5.022 4.385 22 HG2 ARG 3 HG2 ARG 3 24.566 -6.417 4.183 23 HG3 ARG 3 HG1 ARG 3 25.736 -7.195 5.304 24 HD2 ARG 3 HD2 ARG 3 25.993 -5.095 6.612 25 HD3 ARG 3 HD1 ARG 3 24.968 -4.177 5.415 26 HE ARG 3 HE ARG 3 23.413 -6.406 6.335 27 HH11 ARG 3 HH11 ARG 3 24.875 -3.408 7.726 28 HH12 ARG 3 HH12 ARG 3 23.659 -3.228 8.945 29 HH21 ARG 3 HH21 ARG 3 21.798 -6.106 8.001 30 HH22 ARG 3 HH22 ARG 3 21.900 -4.772 9.101 31 H LEU 4 HN LEU 4 27.581 -3.188 2.452 32 HA LEU 4 HA LEU 4 25.372 -1.408 3.030 33 HB2 LEU 4 HB2 LEU 4 26.810 -0.073 4.245 34 HB3 LEU 4 HB1 LEU 4 27.356 -1.746 4.595 35 HG LEU 4 HG LEU 4 29.295 -0.337 4.450 36 HD11 LEU 4 HD11 LEU 4 30.717 -1.486 2.889 37 HD12 LEU 4 HD12 LEU 4 29.338 -1.892 1.798 38 HD13 LEU 4 HD13 LEU 4 29.459 -2.664 3.426 39 HD21 LEU 4 HD21 LEU 4 29.641 1.445 3.080 40 HD22 LEU 4 HD22 LEU 4 27.917 1.247 2.590 41 HD23 LEU 4 HD23 LEU 4 29.217 0.522 1.586 42 H SER 5 HN SER 5 27.292 -2.308 0.411 43 HA SER 5 HA SER 5 27.764 0.330 -0.503 44 HB2 SER 5 HB2 SER 5 28.168 -2.311 -1.993 45 HB3 SER 5 HB1 SER 5 28.641 -0.693 -2.634 46 HG SER 5 HG SER 5 30.034 -0.472 -0.918 47 H LYS 6 HN LYS 6 25.034 -1.615 -0.538 48 HA LYS 6 HA LYS 6 24.030 -0.409 -2.999 49 HB2 LYS 6 HB2 LYS 6 22.255 -1.848 -2.836 50 HB3 LYS 6 HB1 LYS 6 23.537 -2.787 -2.012 51 HG2 LYS 6 HG2 LYS 6 21.562 -0.989 -0.455 52 HG3 LYS 6 HG1 LYS 6 21.150 -2.687 -0.879 53 HD2 LYS 6 HD2 LYS 6 23.020 -3.539 0.514 54 HD3 LYS 6 HD1 LYS 6 23.674 -1.879 0.770 55 HE2 LYS 6 HE2 LYS 6 22.526 -2.339 2.811 56 HE3 LYS 6 HE1 LYS 6 21.329 -1.337 1.897 57 HZ1 LYS 6 HZ1 LYS 6 21.118 -4.208 1.457 58 HZ2 LYS 6 HZ2 LYS 6 19.915 -3.044 1.744 59 HZ3 LYS 6 HZ3 LYS 6 20.790 -3.698 3.044 60 H PHE 7 HN PHE 7 24.358 0.464 0.257 61 HA PHE 7 HA PHE 7 21.861 1.927 0.426 62 HB2 PHE 7 HB2 PHE 7 21.824 1.355 2.719 63 HB3 PHE 7 HB1 PHE 7 23.326 0.368 2.447 64 HD1 PHE 7 HD1 PHE 7 22.067 3.698 3.486 65 HD2 PHE 7 HD2 PHE 7 25.324 1.154 2.978 66 HE1 PHE 7 HE1 PHE 7 23.565 5.522 3.780 67 HE2 PHE 7 HE2 PHE 7 26.821 2.891 3.282 68 HZ PHE 7 HZ PHE 7 25.923 5.090 3.618 69 H PHE 8 HN PHE 8 25.236 1.757 0.096 70 HA PHE 8 HA PHE 8 25.421 4.526 0.555 71 HB2 PHE 8 HB2 PHE 8 27.448 3.764 1.174 72 HB3 PHE 8 HB1 PHE 8 27.174 2.184 0.366 73 HD1 PHE 8 HD1 PHE 8 28.966 5.350 0.213 74 HD2 PHE 8 HD2 PHE 8 27.505 2.099 -2.053 75 HE1 PHE 8 HE1 PHE 8 30.199 6.067 -1.749 76 HE2 PHE 8 HE2 PHE 8 28.655 2.786 -3.904 77 HZ PHE 8 HZ PHE 8 30.001 4.764 -3.782 78 H ARG 9 HN ARG 9 24.532 2.382 -1.745 79 HA ARG 9 HA ARG 9 25.151 4.269 -3.770 80 HB2 ARG 9 HB2 ARG 9 24.182 1.439 -3.904 81 HB3 ARG 9 HB1 ARG 9 23.747 2.474 -5.300 82 HG2 ARG 9 HG2 ARG 9 26.165 2.927 -5.699 83 HG3 ARG 9 HG1 ARG 9 26.580 1.902 -4.284 84 HD2 ARG 9 HD2 ARG 9 25.644 -0.131 -5.381 85 HD3 ARG 9 HD1 ARG 9 25.043 0.876 -6.782 86 HE ARG 9 HE ARG 9 27.877 1.327 -6.474 87 HH11 ARG 9 HH11 ARG 9 25.590 -1.279 -7.491 88 HH12 ARG 9 HH12 ARG 9 26.720 -2.036 -8.563 89 HH21 ARG 9 HH21 ARG 9 29.366 0.253 -7.952 90 HH22 ARG 9 HH22 ARG 9 28.875 -1.159 -8.825 91 H ASP 10 HN ASP 10 22.842 3.858 -1.589 92 HA ASP 10 HA ASP 10 20.653 4.384 -3.323 93 HB2 ASP 10 HB2 ASP 10 21.204 3.882 -0.428 94 HB3 ASP 10 HB1 ASP 10 19.668 4.713 -0.861 95 H PHE 11 HN PHE 11 22.587 5.592 -0.890 96 HA PHE 11 HA PHE 11 21.024 8.073 -1.293 97 HB2 PHE 11 HB2 PHE 11 22.446 7.059 1.108 98 HB3 PHE 11 HB1 PHE 11 21.451 8.598 1.131 99 HD1 PHE 11 HD1 PHE 11 21.793 5.473 2.028 100 HD2 PHE 11 HD2 PHE 11 18.779 7.880 0.335 101 HE1 PHE 11 HE1 PHE 11 20.284 3.885 2.653 102 HE2 PHE 11 HE2 PHE 11 17.121 6.231 1.051 103 HZ PHE 11 HZ PHE 11 17.830 4.199 2.251 104 H ILE 12 HN ILE 12 24.158 6.825 -0.761 105 HA ILE 12 HA ILE 12 25.150 9.184 0.179 106 HB ILE 12 HB ILE 12 26.309 6.728 -0.870 107 HG12 ILE 12 HG12 ILE 12 26.406 5.965 1.196 108 HG13 ILE 12 HG11 ILE 12 26.929 7.499 1.949 109 HG21 ILE 12 HG21 ILE 12 27.956 9.229 -0.112 110 HG22 ILE 12 HG22 ILE 12 28.127 8.129 -1.539 111 HG23 ILE 12 HG23 ILE 12 28.635 7.575 0.099 112 HD11 ILE 12 HD11 ILE 12 24.862 6.990 2.898 113 HD12 ILE 12 HD12 ILE 12 24.214 6.295 1.343 114 HD13 ILE 12 HD13 ILE 12 24.356 8.088 1.593 115 H LEU 13 HN LEU 13 25.063 7.863 -2.870 116 HA LEU 13 HA LEU 13 26.647 9.722 -4.269 117 HB2 LEU 13 HB2 LEU 13 24.167 8.398 -5.387 118 HB3 LEU 13 HB1 LEU 13 25.728 8.726 -6.235 119 HG LEU 13 HG LEU 13 25.017 6.601 -4.178 120 HD11 LEU 13 HD11 LEU 13 25.796 6.412 -7.149 121 HD12 LEU 13 HD12 LEU 13 24.173 6.146 -6.394 122 HD13 LEU 13 HD13 LEU 13 25.526 5.008 -6.051 123 HD21 LEU 13 HD21 LEU 13 27.236 6.892 -3.465 124 HD22 LEU 13 HD22 LEU 13 27.846 7.379 -5.102 125 HD23 LEU 13 HD23 LEU 13 27.457 5.651 -4.754 126 H GLN 14 HN GLN 14 23.380 9.725 -3.105 127 HA GLN 14 HA GLN 14 22.586 12.057 -4.712 128 HB2 GLN 14 HB2 GLN 14 21.035 9.999 -3.037 129 HB3 GLN 14 HB1 GLN 14 20.240 11.468 -3.747 130 HG2 GLN 14 HG2 GLN 14 20.998 10.653 -6.071 131 HG3 GLN 14 HG1 GLN 14 21.623 9.148 -5.282 132 HE21 GLN 14 HE21 GLN 14 19.740 8.690 -7.185 133 HE22 GLN 14 HE22 GLN 14 18.197 8.293 -6.503 134 H ARG 15 HN ARG 15 24.112 11.665 -1.654 135 HA ARG 15 HA ARG 15 22.486 13.484 -0.098 136 HB2 ARG 15 HB2 ARG 15 25.431 12.570 0.275 137 HB3 ARG 15 HB1 ARG 15 24.579 13.662 1.431 138 HG2 ARG 15 HG2 ARG 15 22.940 11.907 1.956 139 HG3 ARG 15 HG1 ARG 15 23.619 10.875 0.675 140 HD2 ARG 15 HD2 ARG 15 24.422 9.962 2.845 141 HD3 ARG 15 HD1 ARG 15 25.830 10.745 1.987 142 HE ARG 15 HE ARG 15 24.607 12.741 3.689 143 HH11 ARG 15 HH11 ARG 15 26.464 9.655 3.963 144 HH12 ARG 15 HH12 ARG 15 27.190 10.070 5.480 145 HH21 ARG 15 HH21 ARG 15 25.626 13.253 5.746 146 HH22 ARG 15 HH22 ARG 15 26.709 12.131 6.498 147 H LYS 16 HN LYS 16 25.499 13.566 -1.961 148 HA LYS 16 HA LYS 16 25.608 16.500 -1.849 149 HB2 LYS 16 HB2 LYS 16 27.567 14.466 -3.047 150 HB3 LYS 16 HB1 LYS 16 27.846 16.252 -2.963 151 HG2 LYS 16 HG2 LYS 16 27.708 16.158 -0.461 152 HG3 LYS 16 HG1 LYS 16 27.442 14.378 -0.543 153 HD2 LYS 16 HD2 LYS 16 29.652 14.094 -1.651 154 HD3 LYS 16 HD1 LYS 16 29.926 15.872 -1.581 155 HE2 LYS 16 HE2 LYS 16 29.891 15.782 0.946 156 HE3 LYS 16 HE1 LYS 16 29.605 13.992 0.877 157 HZ1 LYS 16 HZ1 LYS 16 32.005 15.543 0.121 158 HZ2 LYS 16 HZ2 LYS 16 31.737 13.990 -0.513 159 HZ3 LYS 16 HZ3 LYS 16 31.853 14.215 1.167 160 H LYS 17 HN LYS 17 24.019 14.287 -3.657 161 HA LYS 17 HA LYS 17 23.018 14.221 -5.572 162 HB2 LYS 17 HB2 LYS 17 23.422 17.274 -5.744 163 HB3 LYS 17 HB1 LYS 17 22.185 16.319 -6.646 164 HG2 LYS 17 HG2 LYS 17 21.079 15.678 -4.497 165 HG3 LYS 17 HG1 LYS 17 22.340 16.565 -3.560 166 HD2 LYS 17 HD2 LYS 17 21.641 18.703 -4.691 167 HD3 LYS 17 HD1 LYS 17 20.345 17.808 -5.560 168 HE2 LYS 17 HE2 LYS 17 19.244 17.237 -3.372 169 HE3 LYS 17 HE1 LYS 17 20.572 18.085 -2.473 170 HZ1 LYS 17 HZ1 LYS 17 18.423 19.198 -4.157 171 HZ2 LYS 17 HZ2 LYS 17 19.877 20.055 -3.971 172 HZ3 LYS 17 HZ3 LYS 17 18.949 19.651 -2.608 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 32.219 -10.020 -2.182 2 H2 GLU 1 HT2 GLU 1 32.474 -8.368 -1.880 3 H3 GLU 1 HT3 GLU 1 31.816 -8.868 -3.364 4 HA GLU 1 HA GLU 1 29.836 -8.558 -2.546 5 HB2 GLU 1 HB2 GLU 1 30.771 -10.879 -0.735 6 HB3 GLU 1 HB1 GLU 1 29.102 -10.211 -0.584 7 HG2 GLU 1 HG2 GLU 1 28.647 -10.758 -3.014 8 HG3 GLU 1 HG1 GLU 1 30.313 -11.441 -3.171 9 H MET 2 HN MET 2 28.919 -6.880 -1.409 10 HA MET 2 HA MET 2 30.091 -6.231 1.223 11 HB2 MET 2 HB2 MET 2 28.848 -4.166 -0.704 12 HB3 MET 2 HB1 MET 2 29.688 -3.830 0.855 13 HG2 MET 2 HG2 MET 2 31.400 -3.292 -0.585 14 HG3 MET 2 HG1 MET 2 31.775 -5.029 -0.373 15 HE1 MET 2 HE1 MET 2 32.885 -4.369 -4.031 16 HE2 MET 2 HE2 MET 2 33.303 -5.027 -2.412 17 HE3 MET 2 HE3 MET 2 32.989 -3.268 -2.612 18 H ARG 3 HN ARG 3 28.387 -4.523 2.279 19 HA ARG 3 HA ARG 3 25.783 -5.863 2.203 20 HB2 ARG 3 HB2 ARG 3 27.493 -6.557 4.089 21 HB3 ARG 3 HB1 ARG 3 27.268 -4.897 4.716 22 HG2 ARG 3 HG2 ARG 3 24.707 -6.450 4.253 23 HG3 ARG 3 HG1 ARG 3 25.815 -7.163 5.477 24 HD2 ARG 3 HD2 ARG 3 25.834 -5.015 6.777 25 HD3 ARG 3 HD1 ARG 3 24.790 -4.219 5.516 26 HE ARG 3 HE ARG 3 23.465 -6.626 6.428 27 HH11 ARG 3 HH11 ARG 3 24.361 -3.356 7.671 28 HH12 ARG 3 HH12 ARG 3 23.046 -3.282 8.796 29 HH21 ARG 3 HH21 ARG 3 21.708 -6.470 7.965 30 HH22 ARG 3 HH22 ARG 3 21.529 -5.065 8.963 31 H LEU 4 HN LEU 4 27.715 -2.993 2.840 32 HA LEU 4 HA LEU 4 25.353 -1.351 3.222 33 HB2 LEU 4 HB2 LEU 4 26.593 0.114 4.533 34 HB3 LEU 4 HB1 LEU 4 27.171 -1.523 4.996 35 HG LEU 4 HG LEU 4 29.066 -0.043 4.987 36 HD11 LEU 4 HD11 LEU 4 29.428 -1.624 2.370 37 HD12 LEU 4 HD12 LEU 4 29.424 -2.381 4.011 38 HD13 LEU 4 HD13 LEU 4 30.678 -1.153 3.586 39 HD21 LEU 4 HD21 LEU 4 27.802 1.472 3.020 40 HD22 LEU 4 HD22 LEU 4 29.159 0.753 2.090 41 HD23 LEU 4 HD23 LEU 4 29.500 1.710 3.583 42 H SER 5 HN SER 5 27.527 -2.127 0.791 43 HA SER 5 HA SER 5 27.921 0.519 -0.128 44 HB2 SER 5 HB2 SER 5 29.568 -1.473 -0.506 45 HB3 SER 5 HB1 SER 5 28.482 -1.953 -1.861 46 HG SER 5 HG SER 5 29.089 0.699 -1.906 47 H LYS 6 HN LYS 6 25.297 -1.569 -0.345 48 HA LYS 6 HA LYS 6 24.421 -0.436 -2.890 49 HB2 LYS 6 HB2 LYS 6 22.716 -1.964 -2.849 50 HB3 LYS 6 HB1 LYS 6 23.982 -2.830 -1.925 51 HG2 LYS 6 HG2 LYS 6 21.805 -1.133 -0.536 52 HG3 LYS 6 HG1 LYS 6 21.518 -2.853 -0.971 53 HD2 LYS 6 HD2 LYS 6 23.322 -3.595 0.567 54 HD3 LYS 6 HD1 LYS 6 23.866 -1.900 0.854 55 HE2 LYS 6 HE2 LYS 6 22.593 -2.444 2.810 56 HE3 LYS 6 HE1 LYS 6 21.448 -1.462 1.818 57 HZ1 LYS 6 HZ1 LYS 6 21.044 -4.077 1.028 58 HZ2 LYS 6 HZ2 LYS 6 20.047 -3.134 2.029 59 HZ3 LYS 6 HZ3 LYS 6 21.216 -4.157 2.716 60 H PHE 7 HN PHE 7 24.449 0.487 0.369 61 HA PHE 7 HA PHE 7 21.870 1.818 0.320 62 HB2 PHE 7 HB2 PHE 7 21.684 1.267 2.613 63 HB3 PHE 7 HB1 PHE 7 23.251 0.358 2.472 64 HD1 PHE 7 HD1 PHE 7 21.752 3.633 3.353 65 HD2 PHE 7 HD2 PHE 7 25.155 1.242 3.157 66 HE1 PHE 7 HE1 PHE 7 23.131 5.529 3.742 67 HE2 PHE 7 HE2 PHE 7 26.538 3.056 3.560 68 HZ PHE 7 HZ PHE 7 25.509 5.213 3.782 69 H PHE 8 HN PHE 8 25.263 1.819 0.270 70 HA PHE 8 HA PHE 8 25.276 4.601 0.686 71 HB2 PHE 8 HB2 PHE 8 27.278 3.942 1.484 72 HB3 PHE 8 HB1 PHE 8 27.147 2.342 0.678 73 HD1 PHE 8 HD1 PHE 8 28.798 5.583 0.630 74 HD2 PHE 8 HD2 PHE 8 27.675 2.253 -1.705 75 HE1 PHE 8 HE1 PHE 8 30.150 6.341 -1.236 76 HE2 PHE 8 HE2 PHE 8 28.939 2.974 -3.465 77 HZ PHE 8 HZ PHE 8 30.178 5.012 -3.261 78 H ARG 9 HN ARG 9 24.670 2.385 -1.639 79 HA ARG 9 HA ARG 9 25.363 4.277 -3.634 80 HB2 ARG 9 HB2 ARG 9 24.549 1.397 -3.823 81 HB3 ARG 9 HB1 ARG 9 24.187 2.402 -5.262 82 HG2 ARG 9 HG2 ARG 9 26.603 2.964 -5.466 83 HG3 ARG 9 HG1 ARG 9 26.950 1.991 -4.000 84 HD2 ARG 9 HD2 ARG 9 26.218 -0.112 -5.135 85 HD3 ARG 9 HD1 ARG 9 25.713 0.840 -6.610 86 HE ARG 9 HE ARG 9 28.468 1.458 -6.044 87 HH11 ARG 9 HH11 ARG 9 26.480 -1.343 -7.167 88 HH12 ARG 9 HH12 ARG 9 27.763 -2.050 -8.090 89 HH21 ARG 9 HH21 ARG 9 30.164 0.453 -7.314 90 HH22 ARG 9 HH22 ARG 9 29.870 -1.021 -8.174 91 H ASP 10 HN ASP 10 22.911 3.796 -1.638 92 HA ASP 10 HA ASP 10 20.840 4.215 -3.540 93 HB2 ASP 10 HB2 ASP 10 21.188 3.754 -0.609 94 HB3 ASP 10 HB1 ASP 10 19.658 4.517 -1.164 95 H PHE 11 HN PHE 11 22.525 5.519 -0.987 96 HA PHE 11 HA PHE 11 20.892 7.922 -1.544 97 HB2 PHE 11 HB2 PHE 11 22.161 7.005 0.972 98 HB3 PHE 11 HB1 PHE 11 21.097 8.492 0.897 99 HD1 PHE 11 HD1 PHE 11 21.515 5.406 1.880 100 HD2 PHE 11 HD2 PHE 11 18.523 7.623 -0.094 101 HE1 PHE 11 HE1 PHE 11 20.036 3.757 2.429 102 HE2 PHE 11 HE2 PHE 11 16.897 5.908 0.535 103 HZ PHE 11 HZ PHE 11 17.609 3.938 1.840 104 H ILE 12 HN ILE 12 24.025 6.824 -0.729 105 HA ILE 12 HA ILE 12 24.842 9.239 0.243 106 HB ILE 12 HB ILE 12 26.187 6.822 -0.669 107 HG12 ILE 12 HG12 ILE 12 26.139 6.083 1.407 108 HG13 ILE 12 HG11 ILE 12 26.531 7.644 2.181 109 HG21 ILE 12 HG21 ILE 12 27.993 8.306 -1.193 110 HG22 ILE 12 HG22 ILE 12 28.379 7.782 0.491 111 HG23 ILE 12 HG23 ILE 12 27.650 9.399 0.211 112 HD11 ILE 12 HD11 ILE 12 23.974 8.114 1.598 113 HD12 ILE 12 HD12 ILE 12 24.412 7.069 2.961 114 HD13 ILE 12 HD13 ILE 12 23.932 6.315 1.365 115 H LEU 13 HN LEU 13 25.087 7.863 -2.780 116 HA LEU 13 HA LEU 13 26.729 9.714 -4.092 117 HB2 LEU 13 HB2 LEU 13 24.313 8.339 -5.311 118 HB3 LEU 13 HB1 LEU 13 25.879 8.723 -6.122 119 HG LEU 13 HG LEU 13 25.180 6.576 -4.089 120 HD11 LEU 13 HD11 LEU 13 25.864 5.002 -5.933 121 HD12 LEU 13 HD12 LEU 13 26.088 6.420 -7.023 122 HD13 LEU 13 HD13 LEU 13 24.458 6.061 -6.321 123 HD21 LEU 13 HD21 LEU 13 28.020 7.465 -4.861 124 HD22 LEU 13 HD22 LEU 13 27.678 5.720 -4.542 125 HD23 LEU 13 HD23 LEU 13 27.341 6.944 -3.261 126 H GLN 14 HN GLN 14 23.360 9.659 -3.247 127 HA GLN 14 HA GLN 14 22.676 11.985 -4.889 128 HB2 GLN 14 HB2 GLN 14 21.020 9.895 -3.358 129 HB3 GLN 14 HB1 GLN 14 20.264 11.351 -4.134 130 HG2 GLN 14 HG2 GLN 14 21.290 10.553 -6.380 131 HG3 GLN 14 HG1 GLN 14 21.812 9.043 -5.524 132 HE21 GLN 14 HE21 GLN 14 20.182 8.556 -7.616 133 HE22 GLN 14 HE22 GLN 14 18.562 8.183 -7.130 134 H ARG 15 HN ARG 15 23.912 11.630 -1.671 135 HA ARG 15 HA ARG 15 22.130 13.526 -0.369 136 HB2 ARG 15 HB2 ARG 15 24.991 12.621 0.450 137 HB3 ARG 15 HB1 ARG 15 23.920 13.667 1.457 138 HG2 ARG 15 HG2 ARG 15 22.274 11.835 1.667 139 HG3 ARG 15 HG1 ARG 15 23.239 10.839 0.553 140 HD2 ARG 15 HD2 ARG 15 23.708 9.963 2.814 141 HD3 ARG 15 HD1 ARG 15 25.179 10.902 2.286 142 HE ARG 15 HE ARG 15 23.450 12.746 3.670 143 HH11 ARG 15 HH11 ARG 15 25.387 9.789 4.422 144 HH12 ARG 15 HH12 ARG 15 25.671 10.238 6.070 145 HH21 ARG 15 HH21 ARG 15 23.864 13.295 5.908 146 HH22 ARG 15 HH22 ARG 15 24.797 12.244 6.919 147 H LYS 16 HN LYS 16 25.370 13.441 -1.836 148 HA LYS 16 HA LYS 16 25.608 16.360 -1.780 149 HB2 LYS 16 HB2 LYS 16 27.531 14.202 -2.818 150 HB3 LYS 16 HB1 LYS 16 27.903 15.969 -2.741 151 HG2 LYS 16 HG2 LYS 16 27.602 15.910 -0.243 152 HG3 LYS 16 HG1 LYS 16 27.277 14.141 -0.336 153 HD2 LYS 16 HD2 LYS 16 29.534 13.767 -1.319 154 HD3 LYS 16 HD1 LYS 16 29.866 15.534 -1.252 155 HE2 LYS 16 HE2 LYS 16 29.706 15.471 1.272 156 HE3 LYS 16 HE1 LYS 16 29.372 13.691 1.201 157 HZ1 LYS 16 HZ1 LYS 16 31.546 13.522 -0.008 158 HZ2 LYS 16 HZ2 LYS 16 31.635 13.965 1.629 159 HZ3 LYS 16 HZ3 LYS 16 31.846 15.138 0.419 160 H LYS 17 HN LYS 17 24.059 14.181 -3.659 161 HA LYS 17 HA LYS 17 23.098 14.165 -5.570 162 HB2 LYS 17 HB2 LYS 17 24.044 17.046 -6.123 163 HB3 LYS 17 HB1 LYS 17 22.757 16.164 -7.023 164 HG2 LYS 17 HG2 LYS 17 21.336 16.050 -4.991 165 HG3 LYS 17 HG1 LYS 17 22.641 16.770 -3.987 166 HD2 LYS 17 HD2 LYS 17 21.112 18.533 -4.371 167 HD3 LYS 17 HD1 LYS 17 22.491 18.867 -5.466 168 HE2 LYS 17 HE2 LYS 17 21.169 18.020 -7.434 169 HE3 LYS 17 HE1 LYS 17 19.796 17.576 -6.339 170 HZ1 LYS 17 HZ1 LYS 17 19.179 19.699 -6.150 171 HZ2 LYS 17 HZ2 LYS 17 19.989 19.872 -7.633 172 HZ3 LYS 17 HZ3 LYS 17 20.757 20.326 -6.189 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 32.452 -10.314 -1.593 2 H2 GLU 1 HT2 GLU 1 32.762 -8.954 -0.623 3 H3 GLU 1 HT3 GLU 1 32.393 -8.757 -2.270 4 HA GLU 1 HA GLU 1 30.219 -8.999 -1.996 5 HB2 GLU 1 HB2 GLU 1 30.944 -10.927 0.312 6 HB3 GLU 1 HB1 GLU 1 29.242 -10.398 0.030 7 HG2 GLU 1 HG2 GLU 1 29.324 -11.368 -2.314 8 HG3 GLU 1 HG1 GLU 1 31.018 -11.927 -2.015 9 H MET 2 HN MET 2 29.188 -7.126 -1.357 10 HA MET 2 HA MET 2 29.966 -6.001 1.263 11 HB2 MET 2 HB2 MET 2 28.740 -4.496 -1.135 12 HB3 MET 2 HB1 MET 2 29.242 -3.756 0.434 13 HG2 MET 2 HG2 MET 2 31.136 -5.108 -1.610 14 HG3 MET 2 HG1 MET 2 30.866 -3.350 -1.430 15 HE1 MET 2 HE1 MET 2 33.669 -4.760 -1.476 16 HE2 MET 2 HE2 MET 2 34.533 -3.840 -0.195 17 HE3 MET 2 HE3 MET 2 33.413 -2.987 -1.314 18 H ARG 3 HN ARG 3 28.147 -4.456 2.070 19 HA ARG 3 HA ARG 3 25.553 -5.788 1.916 20 HB2 ARG 3 HB2 ARG 3 27.159 -6.724 3.767 21 HB3 ARG 3 HB1 ARG 3 27.100 -5.087 4.486 22 HG2 ARG 3 HG2 ARG 3 24.391 -6.330 4.008 23 HG3 ARG 3 HG1 ARG 3 25.441 -7.265 5.127 24 HD2 ARG 3 HD2 ARG 3 25.651 -5.401 6.687 25 HD3 ARG 3 HD1 ARG 3 24.974 -4.211 5.480 26 HE ARG 3 HE ARG 3 23.064 -6.371 6.029 27 HH11 ARG 3 HH11 ARG 3 24.406 -3.334 7.457 28 HH12 ARG 3 HH12 ARG 3 22.989 -3.000 8.395 29 HH21 ARG 3 HH21 ARG 3 21.186 -5.865 7.312 30 HH22 ARG 3 HH22 ARG 3 21.148 -4.451 8.311 31 H LEU 4 HN LEU 4 27.633 -3.086 2.462 32 HA LEU 4 HA LEU 4 25.394 -1.336 2.999 33 HB2 LEU 4 HB2 LEU 4 26.709 0.041 4.298 34 HB3 LEU 4 HB1 LEU 4 27.192 -1.631 4.735 35 HG LEU 4 HG LEU 4 29.183 -0.272 4.724 36 HD11 LEU 4 HD11 LEU 4 30.690 -1.486 3.306 37 HD12 LEU 4 HD12 LEU 4 29.419 -1.803 2.064 38 HD13 LEU 4 HD13 LEU 4 29.334 -2.622 3.674 39 HD21 LEU 4 HD21 LEU 4 27.991 1.377 2.840 40 HD22 LEU 4 HD22 LEU 4 29.228 0.562 1.822 41 HD23 LEU 4 HD23 LEU 4 29.735 1.455 3.307 42 H SER 5 HN SER 5 27.502 -2.170 0.486 43 HA SER 5 HA SER 5 27.914 0.498 -0.378 44 HB2 SER 5 HB2 SER 5 29.173 -0.254 -2.281 45 HB3 SER 5 HB1 SER 5 29.591 -1.379 -0.936 46 HG SER 5 HG SER 5 27.932 -1.781 -3.182 47 H LYS 6 HN LYS 6 25.292 -1.431 -0.587 48 HA LYS 6 HA LYS 6 24.305 -0.270 -3.087 49 HB2 LYS 6 HB2 LYS 6 22.169 -1.585 -2.091 50 HB3 LYS 6 HB1 LYS 6 23.486 -2.391 -3.016 51 HG2 LYS 6 HG2 LYS 6 23.349 -3.762 -1.119 52 HG3 LYS 6 HG1 LYS 6 24.680 -2.645 -0.749 53 HD2 LYS 6 HD2 LYS 6 23.784 -1.890 1.093 54 HD3 LYS 6 HD1 LYS 6 22.196 -1.535 0.301 55 HE2 LYS 6 HE2 LYS 6 22.966 -4.384 1.211 56 HE3 LYS 6 HE1 LYS 6 22.238 -3.171 2.338 57 HZ1 LYS 6 HZ1 LYS 6 20.526 -3.022 0.307 58 HZ2 LYS 6 HZ2 LYS 6 20.364 -4.138 1.577 59 HZ3 LYS 6 HZ3 LYS 6 21.033 -4.629 0.095 60 H PHE 7 HN PHE 7 24.486 0.485 0.200 61 HA PHE 7 HA PHE 7 21.927 1.841 0.333 62 HB2 PHE 7 HB2 PHE 7 21.834 1.188 2.609 63 HB3 PHE 7 HB1 PHE 7 23.402 0.299 2.380 64 HD1 PHE 7 HD1 PHE 7 21.922 3.548 3.417 65 HD2 PHE 7 HD2 PHE 7 25.325 1.193 3.011 66 HE1 PHE 7 HE1 PHE 7 23.312 5.444 3.806 67 HE2 PHE 7 HE2 PHE 7 26.716 2.995 3.420 68 HZ PHE 7 HZ PHE 7 25.694 5.141 3.750 69 H PHE 8 HN PHE 8 25.332 1.803 0.131 70 HA PHE 8 HA PHE 8 25.377 4.546 0.632 71 HB2 PHE 8 HB2 PHE 8 27.399 3.884 1.354 72 HB3 PHE 8 HB1 PHE 8 27.250 2.306 0.515 73 HD1 PHE 8 HD1 PHE 8 28.903 5.535 0.514 74 HD2 PHE 8 HD2 PHE 8 27.698 2.289 -1.886 75 HE1 PHE 8 HE1 PHE 8 30.217 6.336 -1.361 76 HE2 PHE 8 HE2 PHE 8 28.919 3.050 -3.654 77 HZ PHE 8 HZ PHE 8 30.182 5.067 -3.422 78 H ARG 9 HN ARG 9 24.708 2.395 -1.735 79 HA ARG 9 HA ARG 9 25.323 4.374 -3.687 80 HB2 ARG 9 HB2 ARG 9 24.494 1.505 -3.996 81 HB3 ARG 9 HB1 ARG 9 24.142 2.588 -5.379 82 HG2 ARG 9 HG2 ARG 9 26.542 3.117 -5.596 83 HG3 ARG 9 HG1 ARG 9 26.903 2.135 -4.143 84 HD2 ARG 9 HD2 ARG 9 26.146 0.040 -5.302 85 HD3 ARG 9 HD1 ARG 9 25.700 1.019 -6.781 86 HE ARG 9 HE ARG 9 28.420 1.636 -6.163 87 HH11 ARG 9 HH11 ARG 9 26.514 -1.250 -7.188 88 HH12 ARG 9 HH12 ARG 9 27.836 -1.989 -8.028 89 HH21 ARG 9 HH21 ARG 9 30.176 0.590 -7.311 90 HH22 ARG 9 HH22 ARG 9 29.931 -0.933 -8.097 91 H ASP 10 HN ASP 10 22.949 3.805 -1.628 92 HA ASP 10 HA ASP 10 20.812 4.269 -3.445 93 HB2 ASP 10 HB2 ASP 10 21.249 3.751 -0.539 94 HB3 ASP 10 HB1 ASP 10 19.727 4.571 -1.019 95 H PHE 11 HN PHE 11 22.600 5.484 -0.911 96 HA PHE 11 HA PHE 11 20.970 7.940 -1.368 97 HB2 PHE 11 HB2 PHE 11 22.301 6.959 1.091 98 HB3 PHE 11 HB1 PHE 11 21.249 8.456 1.073 99 HD1 PHE 11 HD1 PHE 11 21.670 5.347 1.970 100 HD2 PHE 11 HD2 PHE 11 18.641 7.639 0.154 101 HE1 PHE 11 HE1 PHE 11 20.198 3.699 2.530 102 HE2 PHE 11 HE2 PHE 11 17.019 5.924 0.798 103 HZ PHE 11 HZ PHE 11 17.754 3.913 2.030 104 H ILE 12 HN ILE 12 24.127 6.800 -0.724 105 HA ILE 12 HA ILE 12 24.965 9.194 0.304 106 HB ILE 12 HB ILE 12 26.286 6.801 -0.692 107 HG12 ILE 12 HG12 ILE 12 26.280 6.024 1.366 108 HG13 ILE 12 HG11 ILE 12 26.714 7.564 2.158 109 HG21 ILE 12 HG21 ILE 12 28.070 8.301 -1.242 110 HG22 ILE 12 HG22 ILE 12 28.506 7.742 0.418 111 HG23 ILE 12 HG23 ILE 12 27.768 9.364 0.192 112 HD11 ILE 12 HD11 ILE 12 24.616 6.989 2.993 113 HD12 ILE 12 HD12 ILE 12 24.077 6.281 1.401 114 HD13 ILE 12 HD13 ILE 12 24.148 8.077 1.663 115 H LEU 13 HN LEU 13 25.094 7.909 -2.758 116 HA LEU 13 HA LEU 13 26.676 9.848 -4.059 117 HB2 LEU 13 HB2 LEU 13 24.290 8.466 -5.301 118 HB3 LEU 13 HB1 LEU 13 25.873 8.855 -6.080 119 HG LEU 13 HG LEU 13 25.146 6.678 -4.081 120 HD11 LEU 13 HD11 LEU 13 25.838 5.141 -5.986 121 HD12 LEU 13 HD12 LEU 13 25.959 6.595 -7.043 122 HD13 LEU 13 HD13 LEU 13 24.380 6.160 -6.275 123 HD21 LEU 13 HD21 LEU 13 27.318 6.988 -3.280 124 HD22 LEU 13 HD22 LEU 13 27.979 7.561 -4.872 125 HD23 LEU 13 HD23 LEU 13 27.635 5.808 -4.610 126 H GLN 14 HN GLN 14 23.387 9.709 -3.018 127 HA GLN 14 HA GLN 14 22.551 12.052 -4.590 128 HB2 GLN 14 HB2 GLN 14 20.996 9.864 -3.081 129 HB3 GLN 14 HB1 GLN 14 20.191 11.309 -3.829 130 HG2 GLN 14 HG2 GLN 14 21.195 10.596 -6.096 131 HG3 GLN 14 HG1 GLN 14 21.822 9.099 -5.288 132 HE21 GLN 14 HE21 GLN 14 20.264 8.392 -7.272 133 HE22 GLN 14 HE22 GLN 14 18.651 7.972 -6.803 134 H ARG 15 HN ARG 15 24.004 11.609 -1.536 135 HA ARG 15 HA ARG 15 22.314 13.469 -0.056 136 HB2 ARG 15 HB2 ARG 15 25.235 12.527 0.477 137 HB3 ARG 15 HB1 ARG 15 24.314 13.621 1.577 138 HG2 ARG 15 HG2 ARG 15 22.670 11.862 2.049 139 HG3 ARG 15 HG1 ARG 15 23.396 10.816 0.804 140 HD2 ARG 15 HD2 ARG 15 24.126 9.919 2.990 141 HD3 ARG 15 HD1 ARG 15 25.564 10.727 2.215 142 HE ARG 15 HE ARG 15 24.243 12.708 3.840 143 HH11 ARG 15 HH11 ARG 15 26.033 9.602 4.266 144 HH12 ARG 15 HH12 ARG 15 26.644 10.014 5.834 145 HH21 ARG 15 HH21 ARG 15 25.100 13.215 5.966 146 HH22 ARG 15 HH22 ARG 15 26.108 12.083 6.805 147 H LYS 16 HN LYS 16 25.366 13.318 -1.797 148 HA LYS 16 HA LYS 16 25.239 16.225 -2.301 149 HB2 LYS 16 HB2 LYS 16 27.600 14.253 -2.275 150 HB3 LYS 16 HB1 LYS 16 27.716 15.940 -2.920 151 HG2 LYS 16 HG2 LYS 16 27.054 16.858 -0.705 152 HG3 LYS 16 HG1 LYS 16 26.893 15.193 -0.038 153 HD2 LYS 16 HD2 LYS 16 29.290 14.761 -0.489 154 HD3 LYS 16 HD1 LYS 16 29.475 16.414 -1.179 155 HE2 LYS 16 HE2 LYS 16 28.895 17.417 1.075 156 HE3 LYS 16 HE1 LYS 16 28.718 15.749 1.763 157 HZ1 LYS 16 HZ1 LYS 16 31.176 15.801 0.525 158 HZ2 LYS 16 HZ2 LYS 16 30.852 15.863 2.191 159 HZ3 LYS 16 HZ3 LYS 16 31.056 17.301 1.310 160 H LYS 17 HN LYS 17 23.617 15.824 -3.787 161 HA LYS 17 HA LYS 17 23.685 14.093 -5.960 162 HB2 LYS 17 HB2 LYS 17 22.409 16.915 -5.867 163 HB3 LYS 17 HB1 LYS 17 21.933 15.561 -6.961 164 HG2 LYS 17 HG2 LYS 17 21.255 14.195 -4.961 165 HG3 LYS 17 HG1 LYS 17 21.716 15.559 -3.877 166 HD2 LYS 17 HD2 LYS 17 19.976 17.011 -4.987 167 HD3 LYS 17 HD1 LYS 17 19.510 15.635 -6.051 168 HE2 LYS 17 HE2 LYS 17 18.813 14.295 -4.024 169 HE3 LYS 17 HE1 LYS 17 19.295 15.673 -2.949 170 HZ1 LYS 17 HZ1 LYS 17 17.538 16.904 -3.624 171 HZ2 LYS 17 HZ2 LYS 17 16.862 15.351 -3.759 172 HZ3 LYS 17 HZ3 LYS 17 17.405 16.166 -5.147 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 30.099 -10.877 -1.804 2 H2 GLU 1 HT2 GLU 1 29.069 -9.541 -2.002 3 H3 GLU 1 HT3 GLU 1 29.481 -10.072 -0.443 4 HA GLU 1 HA GLU 1 31.862 -9.634 -1.126 5 HB2 GLU 1 HB2 GLU 1 30.266 -8.065 -3.252 6 HB3 GLU 1 HB1 GLU 1 31.912 -7.529 -2.749 7 HG2 GLU 1 HG2 GLU 1 32.876 -9.759 -3.457 8 HG3 GLU 1 HG1 GLU 1 31.232 -10.305 -3.971 9 H MET 2 HN MET 2 29.152 -7.150 -1.364 10 HA MET 2 HA MET 2 30.176 -6.016 1.165 11 HB2 MET 2 HB2 MET 2 28.688 -4.342 -0.948 12 HB3 MET 2 HB1 MET 2 29.572 -3.758 0.511 13 HG2 MET 2 HG2 MET 2 31.162 -3.237 -1.066 14 HG3 MET 2 HG1 MET 2 31.693 -4.914 -0.733 15 HE1 MET 2 HE1 MET 2 32.518 -4.509 -4.503 16 HE2 MET 2 HE2 MET 2 33.087 -4.984 -2.865 17 HE3 MET 2 HE3 MET 2 32.620 -3.279 -3.195 18 H ARG 3 HN ARG 3 28.273 -4.407 1.985 19 HA ARG 3 HA ARG 3 25.777 -5.913 1.968 20 HB2 ARG 3 HB2 ARG 3 27.467 -6.649 3.840 21 HB3 ARG 3 HB1 ARG 3 27.264 -5.001 4.507 22 HG2 ARG 3 HG2 ARG 3 24.686 -6.517 4.032 23 HG3 ARG 3 HG1 ARG 3 25.796 -7.269 5.229 24 HD2 ARG 3 HD2 ARG 3 25.848 -5.164 6.585 25 HD3 ARG 3 HD1 ARG 3 24.818 -4.312 5.346 26 HE ARG 3 HE ARG 3 23.449 -6.718 6.202 27 HH11 ARG 3 HH11 ARG 3 24.404 -3.488 7.502 28 HH12 ARG 3 HH12 ARG 3 23.093 -3.410 8.630 29 HH21 ARG 3 HH21 ARG 3 21.697 -6.558 7.742 30 HH22 ARG 3 HH22 ARG 3 21.543 -5.171 8.767 31 H LEU 4 HN LEU 4 27.667 -3.043 2.663 32 HA LEU 4 HA LEU 4 25.308 -1.422 3.127 33 HB2 LEU 4 HB2 LEU 4 26.590 0.026 4.426 34 HB3 LEU 4 HB1 LEU 4 27.175 -1.620 4.845 35 HG LEU 4 HG LEU 4 29.070 -0.138 4.809 36 HD11 LEU 4 HD11 LEU 4 29.366 -1.692 2.168 37 HD12 LEU 4 HD12 LEU 4 29.404 -2.464 3.801 38 HD13 LEU 4 HD13 LEU 4 30.646 -1.233 3.356 39 HD21 LEU 4 HD21 LEU 4 29.102 0.687 1.922 40 HD22 LEU 4 HD22 LEU 4 29.470 1.629 3.416 41 HD23 LEU 4 HD23 LEU 4 27.762 1.396 2.887 42 H SER 5 HN SER 5 27.424 -2.153 0.635 43 HA SER 5 HA SER 5 27.805 0.493 -0.268 44 HB2 SER 5 HB2 SER 5 29.421 -1.491 -0.723 45 HB3 SER 5 HB1 SER 5 28.275 -1.984 -2.023 46 HG SER 5 HG SER 5 28.797 0.634 -2.223 47 H LYS 6 HN LYS 6 25.153 -1.567 -0.432 48 HA LYS 6 HA LYS 6 24.202 -0.391 -2.929 49 HB2 LYS 6 HB2 LYS 6 22.484 -1.901 -2.847 50 HB3 LYS 6 HB1 LYS 6 23.771 -2.790 -1.976 51 HG2 LYS 6 HG2 LYS 6 21.662 -1.086 -0.493 52 HG3 LYS 6 HG1 LYS 6 21.338 -2.797 -0.942 53 HD2 LYS 6 HD2 LYS 6 23.187 -3.580 0.516 54 HD3 LYS 6 HD1 LYS 6 23.759 -1.896 0.812 55 HE2 LYS 6 HE2 LYS 6 22.549 -2.471 2.803 56 HE3 LYS 6 HE1 LYS 6 21.383 -1.453 1.873 57 HZ1 LYS 6 HZ1 LYS 6 19.962 -3.118 1.826 58 HZ2 LYS 6 HZ2 LYS 6 20.982 -4.002 2.857 59 HZ3 LYS 6 HZ3 LYS 6 21.097 -4.199 1.174 60 H PHE 7 HN PHE 7 24.344 0.493 0.338 61 HA PHE 7 HA PHE 7 21.779 1.853 0.382 62 HB2 PHE 7 HB2 PHE 7 21.654 1.277 2.672 63 HB3 PHE 7 HB1 PHE 7 23.204 0.348 2.471 64 HD1 PHE 7 HD1 PHE 7 21.779 3.636 3.426 65 HD2 PHE 7 HD2 PHE 7 25.137 1.193 3.126 66 HE1 PHE 7 HE1 PHE 7 23.196 5.506 3.800 67 HE2 PHE 7 HE2 PHE 7 26.558 2.982 3.513 68 HZ PHE 7 HZ PHE 7 25.569 5.153 3.780 69 H PHE 8 HN PHE 8 25.169 1.814 0.240 70 HA PHE 8 HA PHE 8 25.229 4.588 0.692 71 HB2 PHE 8 HB2 PHE 8 27.241 3.888 1.427 72 HB3 PHE 8 HB1 PHE 8 27.069 2.303 0.600 73 HD1 PHE 8 HD1 PHE 8 28.774 5.511 0.570 74 HD2 PHE 8 HD2 PHE 8 27.521 2.257 -1.806 75 HE1 PHE 8 HE1 PHE 8 30.095 6.280 -1.313 76 HE2 PHE 8 HE2 PHE 8 28.754 2.989 -3.581 77 HZ PHE 8 HZ PHE 8 30.041 4.997 -3.366 78 H ARG 9 HN ARG 9 24.531 2.410 -1.645 79 HA ARG 9 HA ARG 9 25.200 4.318 -3.633 80 HB2 ARG 9 HB2 ARG 9 24.369 1.449 -3.822 81 HB3 ARG 9 HB1 ARG 9 23.932 2.461 -5.230 82 HG2 ARG 9 HG2 ARG 9 26.334 3.025 -5.572 83 HG3 ARG 9 HG1 ARG 9 26.759 2.082 -4.115 84 HD2 ARG 9 HD2 ARG 9 27.256 0.666 -6.061 85 HD3 ARG 9 HD1 ARG 9 25.760 -0.023 -5.272 86 HE ARG 9 HE ARG 9 25.002 1.907 -7.323 87 HH11 ARG 9 HH11 ARG 9 26.351 -1.428 -6.993 88 HH12 ARG 9 HH12 ARG 9 25.731 -1.966 -8.518 89 HH21 ARG 9 HH21 ARG 9 24.188 1.123 -9.367 90 HH22 ARG 9 HH22 ARG 9 24.492 -0.505 -9.876 91 H ASP 10 HN ASP 10 22.797 3.842 -1.583 92 HA ASP 10 HA ASP 10 20.686 4.314 -3.427 93 HB2 ASP 10 HB2 ASP 10 21.105 3.811 -0.511 94 HB3 ASP 10 HB1 ASP 10 19.572 4.601 -1.017 95 H PHE 11 HN PHE 11 22.452 5.563 -0.899 96 HA PHE 11 HA PHE 11 20.846 7.998 -1.383 97 HB2 PHE 11 HB2 PHE 11 22.163 7.032 1.088 98 HB3 PHE 11 HB1 PHE 11 21.112 8.532 1.057 99 HD1 PHE 11 HD1 PHE 11 21.523 5.434 2.000 100 HD2 PHE 11 HD2 PHE 11 18.511 7.695 0.111 101 HE1 PHE 11 HE1 PHE 11 20.041 3.789 2.560 102 HE2 PHE 11 HE2 PHE 11 16.884 5.986 0.753 103 HZ PHE 11 HZ PHE 11 17.606 3.996 2.021 104 H ILE 12 HN ILE 12 23.983 6.839 -0.687 105 HA ILE 12 HA ILE 12 24.859 9.234 0.295 106 HB ILE 12 HB ILE 12 26.150 6.806 -0.668 107 HG12 ILE 12 HG12 ILE 12 26.144 6.051 1.402 108 HG13 ILE 12 HG11 ILE 12 26.574 7.602 2.179 109 HG21 ILE 12 HG21 ILE 12 27.954 8.280 -1.227 110 HG22 ILE 12 HG22 ILE 12 28.380 7.728 0.438 111 HG23 ILE 12 HG23 ILE 12 27.663 9.358 0.199 112 HD11 ILE 12 HD11 ILE 12 24.010 8.108 1.672 113 HD12 ILE 12 HD12 ILE 12 24.469 7.036 3.007 114 HD13 ILE 12 HD13 ILE 12 23.937 6.314 1.413 115 H LEU 13 HN LEU 13 24.992 7.881 -2.749 116 HA LEU 13 HA LEU 13 26.615 9.746 -4.083 117 HB2 LEU 13 HB2 LEU 13 24.181 8.404 -5.286 118 HB3 LEU 13 HB1 LEU 13 25.757 8.761 -6.094 119 HG LEU 13 HG LEU 13 25.023 6.618 -4.068 120 HD11 LEU 13 HD11 LEU 13 25.661 5.044 -5.941 121 HD12 LEU 13 HD12 LEU 13 25.876 6.469 -7.020 122 HD13 LEU 13 HD13 LEU 13 24.257 6.120 -6.289 123 HD21 LEU 13 HD21 LEU 13 27.869 7.443 -4.890 124 HD22 LEU 13 HD22 LEU 13 27.492 5.707 -4.563 125 HD23 LEU 13 HD23 LEU 13 27.208 6.939 -3.277 126 H GLN 14 HN GLN 14 23.308 9.728 -3.070 127 HA GLN 14 HA GLN 14 22.583 12.080 -4.680 128 HB2 GLN 14 HB2 GLN 14 20.957 9.948 -3.169 129 HB3 GLN 14 HB1 GLN 14 20.188 11.441 -3.858 130 HG2 GLN 14 HG2 GLN 14 21.148 10.738 -6.169 131 HG3 GLN 14 HG1 GLN 14 21.677 9.188 -5.392 132 HE21 GLN 14 HE21 GLN 14 20.264 7.772 -6.525 133 HE22 GLN 14 HE22 GLN 14 18.540 7.800 -6.359 134 H ARG 15 HN ARG 15 23.956 11.614 -1.567 135 HA ARG 15 HA ARG 15 22.323 13.592 -0.180 136 HB2 ARG 15 HB2 ARG 15 25.168 12.518 0.499 137 HB3 ARG 15 HB1 ARG 15 24.230 13.644 1.550 138 HG2 ARG 15 HG2 ARG 15 22.494 11.934 1.914 139 HG3 ARG 15 HG1 ARG 15 23.279 10.861 0.732 140 HD2 ARG 15 HD2 ARG 15 23.850 9.957 2.959 141 HD3 ARG 15 HD1 ARG 15 25.349 10.755 2.299 142 HE ARG 15 HE ARG 15 23.908 12.746 3.812 143 HH11 ARG 15 HH11 ARG 15 25.674 9.648 4.392 144 HH12 ARG 15 HH12 ARG 15 26.156 10.073 6.000 145 HH21 ARG 15 HH21 ARG 15 24.587 13.264 5.993 146 HH22 ARG 15 HH22 ARG 15 25.533 12.143 6.914 147 H LYS 16 HN LYS 16 25.468 13.253 -1.758 148 HA LYS 16 HA LYS 16 25.471 16.147 -2.343 149 HB2 LYS 16 HB2 LYS 16 27.762 14.107 -2.122 150 HB3 LYS 16 HB1 LYS 16 27.967 15.757 -2.833 151 HG2 LYS 16 HG2 LYS 16 27.221 16.795 -0.696 152 HG3 LYS 16 HG1 LYS 16 26.979 15.166 0.033 153 HD2 LYS 16 HD2 LYS 16 29.384 14.652 -0.278 154 HD3 LYS 16 HD1 LYS 16 29.649 16.266 -1.029 155 HE2 LYS 16 HE2 LYS 16 28.993 17.386 1.146 156 HE3 LYS 16 HE1 LYS 16 28.734 15.757 1.899 157 HZ1 LYS 16 HZ1 LYS 16 30.839 16.140 2.510 158 HZ2 LYS 16 HZ2 LYS 16 31.208 17.140 1.187 159 HZ3 LYS 16 HZ3 LYS 16 31.185 15.452 0.996 160 H LYS 17 HN LYS 17 23.930 15.781 -3.896 161 HA LYS 17 HA LYS 17 23.931 14.011 -6.001 162 HB2 LYS 17 HB2 LYS 17 23.038 16.974 -6.105 163 HB3 LYS 17 HB1 LYS 17 22.454 15.646 -7.178 164 HG2 LYS 17 HG2 LYS 17 21.452 14.482 -5.188 165 HG3 LYS 17 HG1 LYS 17 22.035 15.812 -4.116 166 HD2 LYS 17 HD2 LYS 17 20.618 17.454 -5.406 167 HD3 LYS 17 HD1 LYS 17 20.026 16.118 -6.458 168 HE2 LYS 17 HE2 LYS 17 18.976 14.999 -4.453 169 HE3 LYS 17 HE1 LYS 17 19.586 16.332 -3.388 170 HZ1 LYS 17 HZ1 LYS 17 17.708 17.338 -3.862 171 HZ2 LYS 17 HZ2 LYS 17 17.301 16.241 -5.093 172 HZ3 LYS 17 HZ3 LYS 17 18.274 17.588 -5.443 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 28.394 -8.878 -2.016 2 H2 GLU 1 HT2 GLU 1 29.091 -10.159 -1.147 3 H3 GLU 1 HT3 GLU 1 29.213 -10.117 -2.840 4 HA GLU 1 HA GLU 1 31.264 -9.495 -1.744 5 HB2 GLU 1 HB2 GLU 1 29.780 -7.363 -3.416 6 HB3 GLU 1 HB1 GLU 1 31.500 -7.128 -2.923 7 HG2 GLU 1 HG2 GLU 1 32.153 -9.259 -4.121 8 HG3 GLU 1 HG1 GLU 1 30.436 -9.503 -4.626 9 H MET 2 HN MET 2 28.899 -6.699 -1.377 10 HA MET 2 HA MET 2 29.932 -6.347 1.359 11 HB2 MET 2 HB2 MET 2 29.413 -4.108 -0.696 12 HB3 MET 2 HB1 MET 2 29.622 -3.796 1.065 13 HG2 MET 2 HG2 MET 2 31.927 -4.816 0.947 14 HG3 MET 2 HG1 MET 2 31.721 -5.085 -0.814 15 HE1 MET 2 HE1 MET 2 34.449 -2.306 -0.598 16 HE2 MET 2 HE2 MET 2 33.991 -3.932 -1.211 17 HE3 MET 2 HE3 MET 2 34.161 -3.653 0.558 18 H ARG 3 HN ARG 3 28.481 -4.965 2.657 19 HA ARG 3 HA ARG 3 25.749 -5.932 2.266 20 HB2 ARG 3 HB2 ARG 3 27.329 -6.634 4.231 21 HB3 ARG 3 HB1 ARG 3 27.170 -4.944 4.799 22 HG2 ARG 3 HG2 ARG 3 24.533 -6.327 4.307 23 HG3 ARG 3 HG1 ARG 3 25.560 -7.137 5.539 24 HD2 ARG 3 HD2 ARG 3 25.731 -5.003 6.859 25 HD3 ARG 3 HD1 ARG 3 24.755 -4.126 5.595 26 HE ARG 3 HE ARG 3 23.228 -6.416 6.437 27 HH11 ARG 3 HH11 ARG 3 24.453 -3.334 7.869 28 HH12 ARG 3 HH12 ARG 3 23.157 -3.200 9.011 29 HH21 ARG 3 HH21 ARG 3 21.504 -6.181 8.001 30 HH22 ARG 3 HH22 ARG 3 21.470 -4.831 9.086 31 H LEU 4 HN LEU 4 27.705 -3.070 2.876 32 HA LEU 4 HA LEU 4 25.367 -1.393 3.225 33 HB2 LEU 4 HB2 LEU 4 26.639 0.097 4.485 34 HB3 LEU 4 HB1 LEU 4 27.187 -1.535 4.994 35 HG LEU 4 HG LEU 4 29.114 -0.097 4.927 36 HD11 LEU 4 HD11 LEU 4 29.419 -2.466 4.008 37 HD12 LEU 4 HD12 LEU 4 30.693 -1.273 3.542 38 HD13 LEU 4 HD13 LEU 4 29.425 -1.748 2.347 39 HD21 LEU 4 HD21 LEU 4 29.175 0.618 2.004 40 HD22 LEU 4 HD22 LEU 4 29.586 1.601 3.462 41 HD23 LEU 4 HD23 LEU 4 27.864 1.404 2.952 42 H SER 5 HN SER 5 27.473 -2.239 0.748 43 HA SER 5 HA SER 5 27.895 0.400 -0.192 44 HB2 SER 5 HB2 SER 5 29.088 -0.452 -2.118 45 HB3 SER 5 HB1 SER 5 29.559 -1.472 -0.715 46 HG SER 5 HG SER 5 28.201 -2.106 -3.005 47 H LYS 6 HN LYS 6 25.245 -1.642 -0.353 48 HA LYS 6 HA LYS 6 24.321 -0.481 -2.870 49 HB2 LYS 6 HB2 LYS 6 22.583 -1.971 -2.785 50 HB3 LYS 6 HB1 LYS 6 23.854 -2.862 -1.892 51 HG2 LYS 6 HG2 LYS 6 21.745 -1.120 -0.452 52 HG3 LYS 6 HG1 LYS 6 21.417 -2.837 -0.876 53 HD2 LYS 6 HD2 LYS 6 23.246 -3.607 0.618 54 HD3 LYS 6 HD1 LYS 6 23.827 -1.922 0.891 55 HE2 LYS 6 HE2 LYS 6 22.585 -2.450 2.878 56 HE3 LYS 6 HE1 LYS 6 21.442 -1.437 1.914 57 HZ1 LYS 6 HZ1 LYS 6 21.420 -4.411 2.167 58 HZ2 LYS 6 HZ2 LYS 6 20.417 -3.529 1.119 59 HZ3 LYS 6 HZ3 LYS 6 20.294 -3.308 2.799 60 H PHE 7 HN PHE 7 24.441 0.455 0.382 61 HA PHE 7 HA PHE 7 21.886 1.832 0.382 62 HB2 PHE 7 HB2 PHE 7 21.738 1.291 2.678 63 HB3 PHE 7 HB1 PHE 7 23.291 0.358 2.510 64 HD1 PHE 7 HD1 PHE 7 21.853 3.662 3.403 65 HD2 PHE 7 HD2 PHE 7 25.219 1.223 3.151 66 HE1 PHE 7 HE1 PHE 7 23.268 5.544 3.750 67 HE2 PHE 7 HE2 PHE 7 26.634 3.019 3.519 68 HZ PHE 7 HZ PHE 7 25.642 5.192 3.744 69 H PHE 8 HN PHE 8 25.280 1.766 0.260 70 HA PHE 8 HA PHE 8 25.352 4.551 0.661 71 HB2 PHE 8 HB2 PHE 8 27.355 3.856 1.425 72 HB3 PHE 8 HB1 PHE 8 27.183 2.255 0.627 73 HD1 PHE 8 HD1 PHE 8 28.870 5.484 0.526 74 HD2 PHE 8 HD2 PHE 8 27.681 2.138 -1.752 75 HE1 PHE 8 HE1 PHE 8 30.195 6.210 -1.372 76 HE2 PHE 8 HE2 PHE 8 28.919 2.828 -3.542 77 HZ PHE 8 HZ PHE 8 30.177 4.859 -3.382 78 H ARG 9 HN ARG 9 24.658 2.338 -1.641 79 HA ARG 9 HA ARG 9 25.346 4.211 -3.659 80 HB2 ARG 9 HB2 ARG 9 24.487 1.341 -3.821 81 HB3 ARG 9 HB1 ARG 9 24.122 2.346 -5.259 82 HG2 ARG 9 HG2 ARG 9 26.548 2.874 -5.492 83 HG3 ARG 9 HG1 ARG 9 26.894 1.889 -4.033 84 HD2 ARG 9 HD2 ARG 9 26.100 -0.195 -5.172 85 HD3 ARG 9 HD1 ARG 9 25.619 0.776 -6.642 86 HE ARG 9 HE ARG 9 28.396 1.310 -6.052 87 HH11 ARG 9 HH11 ARG 9 26.311 -1.376 -7.277 88 HH12 ARG 9 HH12 ARG 9 27.574 -2.108 -8.207 89 HH21 ARG 9 HH21 ARG 9 30.066 0.273 -7.335 90 HH22 ARG 9 HH22 ARG 9 29.723 -1.164 -8.239 91 H ASP 10 HN ASP 10 22.925 3.774 -1.615 92 HA ASP 10 HA ASP 10 20.827 4.212 -3.484 93 HB2 ASP 10 HB2 ASP 10 21.221 3.755 -0.559 94 HB3 ASP 10 HB1 ASP 10 19.695 4.546 -1.083 95 H PHE 11 HN PHE 11 22.573 5.507 -0.964 96 HA PHE 11 HA PHE 11 20.960 7.930 -1.500 97 HB2 PHE 11 HB2 PHE 11 22.265 7.000 0.993 98 HB3 PHE 11 HB1 PHE 11 21.222 8.504 0.936 99 HD1 PHE 11 HD1 PHE 11 21.611 5.413 1.912 100 HD2 PHE 11 HD2 PHE 11 18.616 7.675 0.000 101 HE1 PHE 11 HE1 PHE 11 20.121 3.786 2.492 102 HE2 PHE 11 HE2 PHE 11 16.976 5.987 0.663 103 HZ PHE 11 HZ PHE 11 17.683 4.004 1.953 104 H ILE 12 HN ILE 12 24.093 6.793 -0.754 105 HA ILE 12 HA ILE 12 24.965 9.196 0.199 106 HB ILE 12 HB ILE 12 26.253 6.757 -0.733 107 HG12 ILE 12 HG12 ILE 12 26.237 6.029 1.347 108 HG13 ILE 12 HG11 ILE 12 26.676 7.587 2.103 109 HG21 ILE 12 HG21 ILE 12 28.486 7.688 0.369 110 HG22 ILE 12 HG22 ILE 12 27.775 9.316 0.102 111 HG23 ILE 12 HG23 ILE 12 28.068 8.211 -1.306 112 HD11 ILE 12 HD11 ILE 12 24.115 8.105 1.580 113 HD12 ILE 12 HD12 ILE 12 24.566 7.054 2.934 114 HD13 ILE 12 HD13 ILE 12 24.033 6.304 1.352 115 H LEU 13 HN LEU 13 25.114 7.817 -2.826 116 HA LEU 13 HA LEU 13 26.745 9.664 -4.171 117 HB2 LEU 13 HB2 LEU 13 24.321 8.291 -5.364 118 HB3 LEU 13 HB1 LEU 13 25.894 8.647 -6.176 119 HG LEU 13 HG LEU 13 25.176 6.529 -4.114 120 HD11 LEU 13 HD11 LEU 13 24.419 5.998 -6.334 121 HD12 LEU 13 HD12 LEU 13 25.818 4.925 -5.952 122 HD13 LEU 13 HD13 LEU 13 26.043 6.331 -7.059 123 HD21 LEU 13 HD21 LEU 13 27.354 6.878 -3.321 124 HD22 LEU 13 HD22 LEU 13 28.015 7.374 -4.939 125 HD23 LEU 13 HD23 LEU 13 27.660 5.638 -4.597 126 H GLN 14 HN GLN 14 23.413 9.653 -3.211 127 HA GLN 14 HA GLN 14 22.711 11.977 -4.871 128 HB2 GLN 14 HB2 GLN 14 21.048 9.871 -3.365 129 HB3 GLN 14 HB1 GLN 14 20.299 11.331 -4.139 130 HG2 GLN 14 HG2 GLN 14 21.354 10.541 -6.381 131 HG3 GLN 14 HG1 GLN 14 21.843 9.020 -5.525 132 HE21 GLN 14 HE21 GLN 14 20.237 8.563 -7.641 133 HE22 GLN 14 HE22 GLN 14 18.605 8.210 -7.181 134 H ARG 15 HN ARG 15 24.005 11.656 -1.693 135 HA ARG 15 HA ARG 15 22.147 13.371 -0.284 136 HB2 ARG 15 HB2 ARG 15 25.112 12.692 0.354 137 HB3 ARG 15 HB1 ARG 15 24.057 13.684 1.429 138 HG2 ARG 15 HG2 ARG 15 22.531 11.776 1.756 139 HG3 ARG 15 HG1 ARG 15 23.459 10.828 0.572 140 HD2 ARG 15 HD2 ARG 15 24.109 9.984 2.816 141 HD3 ARG 15 HD1 ARG 15 25.507 10.953 2.153 142 HE ARG 15 HE ARG 15 23.818 12.754 3.663 143 HH11 ARG 15 HH11 ARG 15 26.015 9.944 4.246 144 HH12 ARG 15 HH12 ARG 15 26.442 10.447 5.847 145 HH21 ARG 15 HH21 ARG 15 24.434 13.381 5.832 146 HH22 ARG 15 HH22 ARG 15 25.537 12.413 6.753 147 H LYS 16 HN LYS 16 25.364 13.716 -1.801 148 HA LYS 16 HA LYS 16 24.982 16.639 -1.863 149 HB2 LYS 16 HB2 LYS 16 27.414 16.857 -2.194 150 HB3 LYS 16 HB1 LYS 16 27.002 15.985 -0.686 151 HG2 LYS 16 HG2 LYS 16 27.492 13.779 -1.828 152 HG3 LYS 16 HG1 LYS 16 27.954 14.674 -3.322 153 HD2 LYS 16 HD2 LYS 16 29.719 15.895 -2.027 154 HD3 LYS 16 HD1 LYS 16 29.254 14.976 -0.555 155 HE2 LYS 16 HE2 LYS 16 29.954 12.818 -1.663 156 HE3 LYS 16 HE1 LYS 16 30.402 13.730 -3.163 157 HZ1 LYS 16 HZ1 LYS 16 32.379 13.858 -2.228 158 HZ2 LYS 16 HZ2 LYS 16 31.824 13.413 -0.686 159 HZ3 LYS 16 HZ3 LYS 16 31.733 15.034 -1.186 160 H LYS 17 HN LYS 17 23.872 14.437 -3.709 161 HA LYS 17 HA LYS 17 23.312 14.143 -5.762 162 HB2 LYS 17 HB2 LYS 17 24.269 17.028 -6.284 163 HB3 LYS 17 HB1 LYS 17 23.238 16.065 -7.406 164 HG2 LYS 17 HG2 LYS 17 21.453 15.906 -5.645 165 HG3 LYS 17 HG1 LYS 17 22.475 16.866 -4.513 166 HD2 LYS 17 HD2 LYS 17 22.423 18.796 -6.099 167 HD3 LYS 17 HD1 LYS 17 21.407 17.846 -7.240 168 HE2 LYS 17 HE2 LYS 17 19.569 17.728 -5.502 169 HE3 LYS 17 HE1 LYS 17 20.599 18.684 -4.357 170 HZ1 LYS 17 HZ1 LYS 17 18.840 19.654 -6.208 171 HZ2 LYS 17 HZ2 LYS 17 20.357 19.942 -6.916 172 HZ3 LYS 17 HZ3 LYS 17 20.018 20.536 -5.361 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 30.403 -11.136 -0.900 2 H2 GLU 1 HT2 GLU 1 29.604 -9.957 -1.825 3 H3 GLU 1 HT3 GLU 1 29.430 -9.973 -0.135 4 HA GLU 1 HA GLU 1 32.036 -9.801 -0.276 5 HB2 GLU 1 HB2 GLU 1 30.920 -8.485 -2.833 6 HB3 GLU 1 HB1 GLU 1 32.450 -7.894 -2.082 7 HG2 GLU 1 HG2 GLU 1 33.493 -10.176 -2.335 8 HG3 GLU 1 HG1 GLU 1 31.965 -10.804 -3.067 9 H MET 2 HN MET 2 29.450 -7.368 -1.282 10 HA MET 2 HA MET 2 30.108 -5.904 1.199 11 HB2 MET 2 HB2 MET 2 28.725 -4.642 -1.242 12 HB3 MET 2 HB1 MET 2 29.354 -3.805 0.230 13 HG2 MET 2 HG2 MET 2 31.055 -3.302 -1.258 14 HG3 MET 2 HG1 MET 2 31.721 -4.810 -0.563 15 HE1 MET 2 HE1 MET 2 32.952 -3.645 -3.084 16 HE2 MET 2 HE2 MET 2 33.106 -5.095 -4.136 17 HE3 MET 2 HE3 MET 2 33.401 -5.230 -2.368 18 H ARG 3 HN ARG 3 28.126 -4.429 1.818 19 HA ARG 3 HA ARG 3 25.628 -5.885 1.553 20 HB2 ARG 3 HB2 ARG 3 25.537 -5.463 4.209 21 HB3 ARG 3 HB1 ARG 3 26.136 -6.999 3.528 22 HG2 ARG 3 HG2 ARG 3 28.367 -6.575 4.138 23 HG3 ARG 3 HG1 ARG 3 28.180 -4.797 4.028 24 HD2 ARG 3 HD2 ARG 3 28.490 -5.355 6.385 25 HD3 ARG 3 HD1 ARG 3 26.748 -4.875 6.172 26 HE ARG 3 HE ARG 3 27.043 -7.760 5.825 27 HH11 ARG 3 HH11 ARG 3 27.057 -5.237 8.401 28 HH12 ARG 3 HH12 ARG 3 26.546 -6.323 9.648 29 HH21 ARG 3 HH21 ARG 3 26.359 -9.186 7.539 30 HH22 ARG 3 HH22 ARG 3 26.146 -8.594 9.153 31 H LEU 4 HN LEU 4 27.532 -3.152 2.425 32 HA LEU 4 HA LEU 4 25.250 -1.460 2.989 33 HB2 LEU 4 HB2 LEU 4 26.659 -0.080 4.275 34 HB3 LEU 4 HB1 LEU 4 27.108 -1.772 4.683 35 HG LEU 4 HG LEU 4 29.110 -0.450 4.636 36 HD11 LEU 4 HD11 LEU 4 30.560 -1.744 3.251 37 HD12 LEU 4 HD12 LEU 4 29.284 -2.025 2.002 38 HD13 LEU 4 HD13 LEU 4 29.157 -2.825 3.623 39 HD21 LEU 4 HD21 LEU 4 29.137 0.347 1.725 40 HD22 LEU 4 HD22 LEU 4 29.691 1.239 3.192 41 HD23 LEU 4 HD23 LEU 4 27.939 1.210 2.756 42 H SER 5 HN SER 5 27.239 -2.276 0.452 43 HA SER 5 HA SER 5 27.768 0.372 -0.431 44 HB2 SER 5 HB2 SER 5 29.277 -1.683 -0.928 45 HB3 SER 5 HB1 SER 5 28.084 -2.118 -2.207 46 HG SER 5 HG SER 5 28.931 -0.648 -3.397 47 H LYS 6 HN LYS 6 25.041 -1.573 -0.561 48 HA LYS 6 HA LYS 6 24.072 -0.328 -3.016 49 HB2 LYS 6 HB2 LYS 6 22.307 -1.784 -2.919 50 HB3 LYS 6 HB1 LYS 6 23.583 -2.730 -2.095 51 HG2 LYS 6 HG2 LYS 6 21.555 -0.988 -0.544 52 HG3 LYS 6 HG1 LYS 6 21.184 -2.686 -1.003 53 HD2 LYS 6 HD2 LYS 6 23.029 -3.532 0.412 54 HD3 LYS 6 HD1 LYS 6 23.670 -1.873 0.697 55 HE2 LYS 6 HE2 LYS 6 22.495 -2.386 2.715 56 HE3 LYS 6 HE1 LYS 6 21.331 -1.345 1.806 57 HZ1 LYS 6 HZ1 LYS 6 19.989 -3.035 2.421 58 HZ2 LYS 6 HZ2 LYS 6 21.207 -4.217 2.403 59 HZ3 LYS 6 HZ3 LYS 6 20.523 -3.683 0.944 60 H PHE 7 HN PHE 7 24.331 0.493 0.261 61 HA PHE 7 HA PHE 7 21.814 1.933 0.404 62 HB2 PHE 7 HB2 PHE 7 21.751 1.356 2.696 63 HB3 PHE 7 HB1 PHE 7 23.256 0.369 2.436 64 HD1 PHE 7 HD1 PHE 7 21.993 3.698 3.455 65 HD2 PHE 7 HD2 PHE 7 25.241 1.140 3.034 66 HE1 PHE 7 HE1 PHE 7 23.487 5.510 3.791 67 HE2 PHE 7 HE2 PHE 7 26.743 2.866 3.382 68 HZ PHE 7 HZ PHE 7 25.842 5.074 3.688 69 H PHE 8 HN PHE 8 25.186 1.799 0.139 70 HA PHE 8 HA PHE 8 25.347 4.564 0.615 71 HB2 PHE 8 HB2 PHE 8 27.354 3.797 1.291 72 HB3 PHE 8 HB1 PHE 8 27.107 2.222 0.461 73 HD1 PHE 8 HD1 PHE 8 28.890 5.394 0.385 74 HD2 PHE 8 HD2 PHE 8 27.512 2.154 -1.932 75 HE1 PHE 8 HE1 PHE 8 30.173 6.126 -1.539 76 HE2 PHE 8 HE2 PHE 8 28.710 2.848 -3.746 77 HZ PHE 8 HZ PHE 8 30.041 4.829 -3.579 78 H ARG 9 HN ARG 9 24.518 2.431 -1.713 79 HA ARG 9 HA ARG 9 25.167 4.342 -3.710 80 HB2 ARG 9 HB2 ARG 9 24.212 1.506 -3.914 81 HB3 ARG 9 HB1 ARG 9 23.841 2.567 -5.311 82 HG2 ARG 9 HG2 ARG 9 26.252 2.999 -5.638 83 HG3 ARG 9 HG1 ARG 9 26.633 2.023 -4.182 84 HD2 ARG 9 HD2 ARG 9 25.761 -0.053 -5.257 85 HD3 ARG 9 HD1 ARG 9 25.224 0.906 -6.716 86 HE ARG 9 HE ARG 9 28.007 1.444 -6.327 87 HH11 ARG 9 HH11 ARG 9 25.913 -1.383 -7.135 88 HH12 ARG 9 HH12 ARG 9 27.124 -2.177 -8.085 89 HH21 ARG 9 HH21 ARG 9 29.607 0.329 -7.616 90 HH22 ARG 9 HH22 ARG 9 29.244 -1.193 -8.358 91 H ASP 10 HN ASP 10 22.832 3.902 -1.570 92 HA ASP 10 HA ASP 10 20.667 4.412 -3.332 93 HB2 ASP 10 HB2 ASP 10 21.172 3.902 -0.436 94 HB3 ASP 10 HB1 ASP 10 19.655 4.754 -0.881 95 H PHE 11 HN PHE 11 22.541 5.625 -0.864 96 HA PHE 11 HA PHE 11 20.997 8.113 -1.283 97 HB2 PHE 11 HB2 PHE 11 22.370 7.099 1.139 98 HB3 PHE 11 HB1 PHE 11 21.353 8.621 1.145 99 HD1 PHE 11 HD1 PHE 11 21.732 5.508 2.056 100 HD2 PHE 11 HD2 PHE 11 18.706 7.859 0.312 101 HE1 PHE 11 HE1 PHE 11 20.234 3.898 2.674 102 HE2 PHE 11 HE2 PHE 11 17.061 6.191 1.016 103 HZ PHE 11 HZ PHE 11 17.783 4.174 2.244 104 H ILE 12 HN ILE 12 24.130 6.843 -0.732 105 HA ILE 12 HA ILE 12 25.091 9.204 0.264 106 HB ILE 12 HB ILE 12 26.297 6.766 -0.774 107 HG12 ILE 12 HG12 ILE 12 26.348 5.992 1.292 108 HG13 ILE 12 HG11 ILE 12 26.838 7.524 2.065 109 HG21 ILE 12 HG21 ILE 12 27.888 9.278 0.077 110 HG22 ILE 12 HG22 ILE 12 28.101 8.231 -1.387 111 HG23 ILE 12 HG23 ILE 12 28.586 7.627 0.243 112 HD11 ILE 12 HD11 ILE 12 24.272 8.092 1.659 113 HD12 ILE 12 HD12 ILE 12 24.754 6.994 2.963 114 HD13 ILE 12 HD13 ILE 12 24.145 6.306 1.382 115 H LEU 13 HN LEU 13 25.068 7.907 -2.792 116 HA LEU 13 HA LEU 13 26.651 9.799 -4.155 117 HB2 LEU 13 HB2 LEU 13 24.193 8.459 -5.303 118 HB3 LEU 13 HB1 LEU 13 25.753 8.812 -6.140 119 HG LEU 13 HG LEU 13 25.068 6.666 -4.093 120 HD11 LEU 13 HD11 LEU 13 25.649 5.093 -6.001 121 HD12 LEU 13 HD12 LEU 13 25.769 6.532 -7.082 122 HD13 LEU 13 HD13 LEU 13 24.206 6.148 -6.255 123 HD21 LEU 13 HD21 LEU 13 27.527 5.758 -4.718 124 HD22 LEU 13 HD22 LEU 13 27.273 6.943 -3.382 125 HD23 LEU 13 HD23 LEU 13 27.876 7.511 -4.998 126 H GLN 14 HN GLN 14 23.393 9.731 -3.007 127 HA GLN 14 HA GLN 14 22.570 12.097 -4.552 128 HB2 GLN 14 HB2 GLN 14 20.998 9.952 -3.001 129 HB3 GLN 14 HB1 GLN 14 20.217 11.415 -3.732 130 HG2 GLN 14 HG2 GLN 14 21.134 10.676 -6.022 131 HG3 GLN 14 HG1 GLN 14 21.750 9.166 -5.232 132 HE21 GLN 14 HE21 GLN 14 20.125 8.474 -7.158 133 HE22 GLN 14 HE22 GLN 14 18.512 8.103 -6.644 134 H ARG 15 HN ARG 15 24.108 11.626 -1.560 135 HA ARG 15 HA ARG 15 22.509 13.503 -0.004 136 HB2 ARG 15 HB2 ARG 15 25.431 12.491 0.386 137 HB3 ARG 15 HB1 ARG 15 24.617 13.632 1.520 138 HG2 ARG 15 HG2 ARG 15 22.956 11.949 2.134 139 HG3 ARG 15 HG1 ARG 15 23.525 10.866 0.840 140 HD2 ARG 15 HD2 ARG 15 24.369 9.932 2.969 141 HD3 ARG 15 HD1 ARG 15 25.783 10.651 2.078 142 HE ARG 15 HE ARG 15 24.715 12.698 3.810 143 HH11 ARG 15 HH11 ARG 15 26.360 9.490 4.047 144 HH12 ARG 15 HH12 ARG 15 27.144 9.853 5.549 145 HH21 ARG 15 HH21 ARG 15 25.805 13.131 5.847 146 HH22 ARG 15 HH22 ARG 15 26.824 11.936 6.575 147 H LYS 16 HN LYS 16 25.473 13.307 -1.873 148 HA LYS 16 HA LYS 16 25.381 16.216 -2.365 149 HB2 LYS 16 HB2 LYS 16 27.703 14.198 -2.424 150 HB3 LYS 16 HB1 LYS 16 27.834 15.888 -3.056 151 HG2 LYS 16 HG2 LYS 16 27.264 16.803 -0.819 152 HG3 LYS 16 HG1 LYS 16 27.057 15.141 -0.160 153 HD2 LYS 16 HD2 LYS 16 29.430 14.632 -0.662 154 HD3 LYS 16 HD1 LYS 16 29.657 16.286 -1.333 155 HE2 LYS 16 HE2 LYS 16 29.158 17.283 0.936 156 HE3 LYS 16 HE1 LYS 16 28.917 15.617 1.613 157 HZ1 LYS 16 HZ1 LYS 16 31.419 16.702 0.415 158 HZ2 LYS 16 HZ2 LYS 16 31.205 15.125 1.006 159 HZ3 LYS 16 HZ3 LYS 16 31.104 16.449 2.065 160 H LYS 17 HN LYS 17 23.695 15.842 -3.778 161 HA LYS 17 HA LYS 17 23.645 14.121 -5.960 162 HB2 LYS 17 HB2 LYS 17 22.407 16.955 -5.778 163 HB3 LYS 17 HB1 LYS 17 21.870 15.627 -6.876 164 HG2 LYS 17 HG2 LYS 17 21.257 14.231 -4.881 165 HG3 LYS 17 HG1 LYS 17 21.789 15.560 -3.786 166 HD2 LYS 17 HD2 LYS 17 20.020 17.063 -4.776 167 HD3 LYS 17 HD1 LYS 17 19.484 15.719 -5.849 168 HE2 LYS 17 HE2 LYS 17 18.870 14.338 -3.822 169 HE3 LYS 17 HE1 LYS 17 19.420 15.683 -2.741 170 HZ1 LYS 17 HZ1 LYS 17 17.045 15.474 -4.439 171 HZ2 LYS 17 HZ2 LYS 17 17.741 17.010 -4.243 172 HZ3 LYS 17 HZ3 LYS 17 17.239 16.125 -2.883 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 31.823 -8.473 -3.069 2 H2 GLU 1 HT2 GLU 1 31.807 -10.142 -2.760 3 H3 GLU 1 HT3 GLU 1 32.405 -9.068 -1.588 4 HA GLU 1 HA GLU 1 29.682 -8.683 -2.523 5 HB2 GLU 1 HB2 GLU 1 30.609 -10.985 -0.679 6 HB3 GLU 1 HB1 GLU 1 28.936 -10.316 -0.564 7 HG2 GLU 1 HG2 GLU 1 28.515 -10.906 -2.988 8 HG3 GLU 1 HG1 GLU 1 30.184 -11.588 -3.112 9 H MET 2 HN MET 2 28.833 -6.950 -1.417 10 HA MET 2 HA MET 2 30.021 -6.315 1.211 11 HB2 MET 2 HB2 MET 2 28.830 -4.224 -0.718 12 HB3 MET 2 HB1 MET 2 29.701 -3.910 0.830 13 HG2 MET 2 HG2 MET 2 31.431 -3.457 -0.620 14 HG3 MET 2 HG1 MET 2 31.720 -5.213 -0.434 15 HE1 MET 2 HE1 MET 2 33.222 -5.240 -2.494 16 HE2 MET 2 HE2 MET 2 32.976 -3.469 -2.683 17 HE3 MET 2 HE3 MET 2 32.804 -4.556 -4.104 18 H ARG 3 HN ARG 3 28.399 -4.603 2.306 19 HA ARG 3 HA ARG 3 25.756 -5.870 2.249 20 HB2 ARG 3 HB2 ARG 3 27.466 -6.597 4.109 21 HB3 ARG 3 HB1 ARG 3 27.301 -4.927 4.730 22 HG2 ARG 3 HG2 ARG 3 24.647 -6.256 4.337 23 HG3 ARG 3 HG1 ARG 3 25.724 -7.218 5.398 24 HD2 ARG 3 HD2 ARG 3 25.411 -4.176 5.911 25 HD3 ARG 3 HD1 ARG 3 24.127 -5.345 6.481 26 HE ARG 3 HE ARG 3 26.662 -6.401 7.317 27 HH11 ARG 3 HH11 ARG 3 24.621 -3.497 7.990 28 HH12 ARG 3 HH12 ARG 3 25.212 -3.298 9.605 29 HH21 ARG 3 HH21 ARG 3 27.422 -6.081 9.507 30 HH22 ARG 3 HH22 ARG 3 26.815 -4.777 10.472 31 H LEU 4 HN LEU 4 27.745 -3.032 2.846 32 HA LEU 4 HA LEU 4 25.415 -1.348 3.247 33 HB2 LEU 4 HB2 LEU 4 26.688 0.106 4.535 34 HB3 LEU 4 HB1 LEU 4 27.250 -1.534 5.002 35 HG LEU 4 HG LEU 4 29.165 -0.086 4.965 36 HD11 LEU 4 HD11 LEU 4 30.744 -1.226 3.552 37 HD12 LEU 4 HD12 LEU 4 29.475 -1.679 2.349 38 HD13 LEU 4 HD13 LEU 4 29.473 -2.433 3.992 39 HD21 LEU 4 HD21 LEU 4 29.232 0.699 2.064 40 HD22 LEU 4 HD22 LEU 4 29.608 1.656 3.548 41 HD23 LEU 4 HD23 LEU 4 27.897 1.443 3.013 42 H SER 5 HN SER 5 27.547 -2.170 0.780 43 HA SER 5 HA SER 5 27.947 0.489 -0.129 44 HB2 SER 5 HB2 SER 5 28.599 -2.127 -1.595 45 HB3 SER 5 HB1 SER 5 29.013 -0.474 -2.196 46 HG SER 5 HG SER 5 30.237 -0.174 -0.343 47 H LYS 6 HN LYS 6 25.325 -1.589 -0.331 48 HA LYS 6 HA LYS 6 24.446 -0.456 -2.875 49 HB2 LYS 6 HB2 LYS 6 22.730 -1.974 -2.824 50 HB3 LYS 6 HB1 LYS 6 23.993 -2.846 -1.903 51 HG2 LYS 6 HG2 LYS 6 21.829 -1.131 -0.514 52 HG3 LYS 6 HG1 LYS 6 21.533 -2.853 -0.942 53 HD2 LYS 6 HD2 LYS 6 23.329 -3.599 0.601 54 HD3 LYS 6 HD1 LYS 6 23.893 -1.908 0.872 55 HE2 LYS 6 HE2 LYS 6 22.619 -2.422 2.837 56 HE3 LYS 6 HE1 LYS 6 21.484 -1.433 1.839 57 HZ1 LYS 6 HZ1 LYS 6 21.462 -4.403 1.713 58 HZ2 LYS 6 HZ2 LYS 6 20.248 -3.300 1.270 59 HZ3 LYS 6 HZ3 LYS 6 20.612 -3.548 2.910 60 H PHE 7 HN PHE 7 24.500 0.475 0.378 61 HA PHE 7 HA PHE 7 21.929 1.822 0.344 62 HB2 PHE 7 HB2 PHE 7 21.756 1.289 2.643 63 HB3 PHE 7 HB1 PHE 7 23.314 0.363 2.495 64 HD1 PHE 7 HD1 PHE 7 21.849 3.654 3.379 65 HD2 PHE 7 HD2 PHE 7 25.233 1.238 3.151 66 HE1 PHE 7 HE1 PHE 7 23.247 5.543 3.742 67 HE2 PHE 7 HE2 PHE 7 26.634 3.041 3.524 68 HZ PHE 7 HZ PHE 7 25.623 5.209 3.754 69 H PHE 8 HN PHE 8 25.322 1.802 0.263 70 HA PHE 8 HA PHE 8 25.352 4.587 0.665 71 HB2 PHE 8 HB2 PHE 8 27.358 3.928 1.453 72 HB3 PHE 8 HB1 PHE 8 27.216 2.321 0.662 73 HD1 PHE 8 HD1 PHE 8 28.872 5.560 0.571 74 HD2 PHE 8 HD2 PHE 8 27.733 2.206 -1.720 75 HE1 PHE 8 HE1 PHE 8 30.214 6.296 -1.311 76 HE2 PHE 8 HE2 PHE 8 28.988 2.905 -3.494 77 HZ PHE 8 HZ PHE 8 30.229 4.945 -3.320 78 H ARG 9 HN ARG 9 24.717 2.364 -1.644 79 HA ARG 9 HA ARG 9 25.408 4.246 -3.652 80 HB2 ARG 9 HB2 ARG 9 24.583 1.367 -3.822 81 HB3 ARG 9 HB1 ARG 9 24.219 2.366 -5.264 82 HG2 ARG 9 HG2 ARG 9 26.639 2.921 -5.477 83 HG3 ARG 9 HG1 ARG 9 26.984 1.946 -4.012 84 HD2 ARG 9 HD2 ARG 9 26.238 -0.153 -5.147 85 HD3 ARG 9 HD1 ARG 9 25.736 0.801 -6.621 86 HE ARG 9 HE ARG 9 28.499 1.397 -6.048 87 HH11 ARG 9 HH11 ARG 9 26.479 -1.363 -7.214 88 HH12 ARG 9 HH12 ARG 9 27.754 -2.073 -8.147 89 HH21 ARG 9 HH21 ARG 9 30.185 0.390 -7.333 90 HH22 ARG 9 HH22 ARG 9 29.873 -1.068 -8.213 91 H ASP 10 HN ASP 10 22.969 3.783 -1.637 92 HA ASP 10 HA ASP 10 20.886 4.204 -3.527 93 HB2 ASP 10 HB2 ASP 10 21.255 3.748 -0.597 94 HB3 ASP 10 HB1 ASP 10 19.724 4.518 -1.141 95 H PHE 11 HN PHE 11 22.591 5.511 -0.987 96 HA PHE 11 HA PHE 11 20.961 7.918 -1.538 97 HB2 PHE 11 HB2 PHE 11 22.247 7.001 0.970 98 HB3 PHE 11 HB1 PHE 11 21.185 8.492 0.900 99 HD1 PHE 11 HD1 PHE 11 21.603 5.405 1.886 100 HD2 PHE 11 HD2 PHE 11 18.601 7.628 -0.067 101 HE1 PHE 11 HE1 PHE 11 20.125 3.761 2.448 102 HE2 PHE 11 HE2 PHE 11 16.976 5.917 0.577 103 HZ PHE 11 HZ PHE 11 17.693 3.946 1.878 104 H ILE 12 HN ILE 12 24.097 6.812 -0.752 105 HA ILE 12 HA ILE 12 24.931 9.223 0.210 106 HB ILE 12 HB ILE 12 26.258 6.801 -0.708 107 HG12 ILE 12 HG12 ILE 12 26.226 6.071 1.371 108 HG13 ILE 12 HG11 ILE 12 26.633 7.634 2.135 109 HG21 ILE 12 HG21 ILE 12 27.736 9.378 0.150 110 HG22 ILE 12 HG22 ILE 12 28.064 8.279 -1.254 111 HG23 ILE 12 HG23 ILE 12 28.465 7.753 0.423 112 HD11 ILE 12 HD11 ILE 12 24.018 6.316 1.349 113 HD12 ILE 12 HD12 ILE 12 24.077 8.124 1.582 114 HD13 ILE 12 HD13 ILE 12 24.512 7.058 2.931 115 H LEU 13 HN LEU 13 25.137 7.844 -2.812 116 HA LEU 13 HA LEU 13 26.771 9.700 -4.138 117 HB2 LEU 13 HB2 LEU 13 24.360 8.316 -5.354 118 HB3 LEU 13 HB1 LEU 13 25.935 8.687 -6.156 119 HG LEU 13 HG LEU 13 25.218 6.556 -4.108 120 HD11 LEU 13 HD11 LEU 13 25.887 4.965 -5.947 121 HD12 LEU 13 HD12 LEU 13 26.115 6.377 -7.046 122 HD13 LEU 13 HD13 LEU 13 24.485 6.031 -6.338 123 HD21 LEU 13 HD21 LEU 13 27.386 6.920 -3.295 124 HD22 LEU 13 HD22 LEU 13 28.059 7.424 -4.904 125 HD23 LEU 13 HD23 LEU 13 27.711 5.684 -4.570 126 H GLN 14 HN GLN 14 23.422 9.666 -3.231 127 HA GLN 14 HA GLN 14 22.731 11.992 -4.892 128 HB2 GLN 14 HB2 GLN 14 21.061 9.867 -3.421 129 HB3 GLN 14 HB1 GLN 14 20.314 11.322 -4.209 130 HG2 GLN 14 HG2 GLN 14 21.414 10.546 -6.431 131 HG3 GLN 14 HG1 GLN 14 21.907 9.029 -5.569 132 HE21 GLN 14 HE21 GLN 14 20.344 8.551 -7.709 133 HE22 GLN 14 HE22 GLN 14 18.708 8.179 -7.278 134 H ARG 15 HN ARG 15 23.962 11.666 -1.688 135 HA ARG 15 HA ARG 15 22.064 13.361 -0.308 136 HB2 ARG 15 HB2 ARG 15 25.024 12.710 0.379 137 HB3 ARG 15 HB1 ARG 15 23.941 13.690 1.438 138 HG2 ARG 15 HG2 ARG 15 22.429 11.766 1.736 139 HG3 ARG 15 HG1 ARG 15 23.386 10.829 0.566 140 HD2 ARG 15 HD2 ARG 15 24.008 9.988 2.818 141 HD3 ARG 15 HD1 ARG 15 25.407 10.973 2.181 142 HE ARG 15 HE ARG 15 23.677 12.755 3.667 143 HH11 ARG 15 HH11 ARG 15 25.886 9.960 4.277 144 HH12 ARG 15 HH12 ARG 15 26.282 10.458 5.887 145 HH21 ARG 15 HH21 ARG 15 24.251 13.376 5.851 146 HH22 ARG 15 HH22 ARG 15 25.346 12.413 6.786 147 H LYS 16 HN LYS 16 25.286 13.733 -1.791 148 HA LYS 16 HA LYS 16 24.906 16.655 -1.828 149 HB2 LYS 16 HB2 LYS 16 27.340 16.867 -2.163 150 HB3 LYS 16 HB1 LYS 16 26.925 15.985 -0.662 151 HG2 LYS 16 HG2 LYS 16 27.407 13.786 -1.818 152 HG3 LYS 16 HG1 LYS 16 27.868 14.689 -3.307 153 HD2 LYS 16 HD2 LYS 16 29.641 15.893 -2.012 154 HD3 LYS 16 HD1 LYS 16 29.176 14.969 -0.543 155 HE2 LYS 16 HE2 LYS 16 29.864 12.813 -1.664 156 HE3 LYS 16 HE1 LYS 16 30.311 13.733 -3.160 157 HZ1 LYS 16 HZ1 LYS 16 31.504 14.641 -0.656 158 HZ2 LYS 16 HZ2 LYS 16 32.168 14.497 -2.212 159 HZ3 LYS 16 HZ3 LYS 16 32.007 13.123 -1.227 160 H LYS 17 HN LYS 17 23.757 14.508 -3.689 161 HA LYS 17 HA LYS 17 23.173 14.248 -5.742 162 HB2 LYS 17 HB2 LYS 17 24.229 17.099 -6.259 163 HB3 LYS 17 HB1 LYS 17 23.164 16.175 -7.381 164 HG2 LYS 17 HG2 LYS 17 21.374 16.078 -5.621 165 HG3 LYS 17 HG1 LYS 17 22.432 16.994 -4.484 166 HD2 LYS 17 HD2 LYS 17 22.454 18.930 -6.063 167 HD3 LYS 17 HD1 LYS 17 21.401 18.025 -7.206 168 HE2 LYS 17 HE2 LYS 17 19.561 17.973 -5.470 169 HE3 LYS 17 HE1 LYS 17 20.628 18.883 -4.321 170 HZ1 LYS 17 HZ1 LYS 17 19.421 19.794 -6.869 171 HZ2 LYS 17 HZ2 LYS 17 20.749 20.594 -6.178 172 HZ3 LYS 17 HZ3 LYS 17 19.294 20.461 -5.313 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 29.542 -10.698 -1.919 2 H2 GLU 1 HT2 GLU 1 28.753 -9.451 -2.758 3 H3 GLU 1 HT3 GLU 1 28.722 -9.485 -1.060 4 HA GLU 1 HA GLU 1 31.366 -9.562 -1.722 5 HB2 GLU 1 HB2 GLU 1 29.782 -7.554 -3.460 6 HB3 GLU 1 HB1 GLU 1 31.515 -7.278 -3.041 7 HG2 GLU 1 HG2 GLU 1 32.152 -9.456 -4.155 8 HG3 GLU 1 HG1 GLU 1 30.420 -9.746 -4.583 9 H MET 2 HN MET 2 28.898 -6.841 -1.442 10 HA MET 2 HA MET 2 30.063 -6.243 1.206 11 HB2 MET 2 HB2 MET 2 28.906 -4.096 -0.682 12 HB3 MET 2 HB1 MET 2 29.715 -3.825 0.906 13 HG2 MET 2 HG2 MET 2 31.500 -3.301 -0.439 14 HG3 MET 2 HG1 MET 2 31.793 -5.064 -0.349 15 HE1 MET 2 HE1 MET 2 33.353 -4.988 -2.357 16 HE2 MET 2 HE2 MET 2 33.123 -3.207 -2.450 17 HE3 MET 2 HE3 MET 2 32.990 -4.210 -3.936 18 H ARG 3 HN ARG 3 28.414 -4.602 2.334 19 HA ARG 3 HA ARG 3 25.785 -5.893 2.181 20 HB2 ARG 3 HB2 ARG 3 27.487 -6.590 4.073 21 HB3 ARG 3 HB1 ARG 3 27.236 -4.940 4.715 22 HG2 ARG 3 HG2 ARG 3 24.703 -6.527 4.205 23 HG3 ARG 3 HG1 ARG 3 25.803 -7.224 5.441 24 HD2 ARG 3 HD2 ARG 3 25.773 -5.072 6.742 25 HD3 ARG 3 HD1 ARG 3 24.716 -4.303 5.473 26 HE ARG 3 HE ARG 3 23.444 -6.741 6.368 27 HH11 ARG 3 HH11 ARG 3 24.265 -3.464 7.646 28 HH12 ARG 3 HH12 ARG 3 22.947 -3.432 8.770 29 HH21 ARG 3 HH21 ARG 3 21.684 -6.641 7.902 30 HH22 ARG 3 HH22 ARG 3 21.470 -5.253 8.916 31 H LEU 4 HN LEU 4 27.697 -3.015 2.865 32 HA LEU 4 HA LEU 4 25.324 -1.390 3.243 33 HB2 LEU 4 HB2 LEU 4 26.544 0.080 4.569 34 HB3 LEU 4 HB1 LEU 4 27.123 -1.559 5.032 35 HG LEU 4 HG LEU 4 29.015 -0.075 5.046 36 HD11 LEU 4 HD11 LEU 4 29.387 -2.406 4.057 37 HD12 LEU 4 HD12 LEU 4 30.642 -1.171 3.655 38 HD13 LEU 4 HD13 LEU 4 29.407 -1.635 2.422 39 HD21 LEU 4 HD21 LEU 4 27.763 1.451 3.086 40 HD22 LEU 4 HD22 LEU 4 29.119 0.737 2.152 41 HD23 LEU 4 HD23 LEU 4 29.460 1.685 3.652 42 H SER 5 HN SER 5 27.503 -2.133 0.806 43 HA SER 5 HA SER 5 27.866 0.536 -0.069 44 HB2 SER 5 HB2 SER 5 28.581 -2.050 -1.552 45 HB3 SER 5 HB1 SER 5 28.955 -0.386 -2.146 46 HG SER 5 HG SER 5 29.726 -0.676 0.406 47 H LYS 6 HN LYS 6 25.274 -1.574 -0.310 48 HA LYS 6 HA LYS 6 24.398 -0.437 -2.853 49 HB2 LYS 6 HB2 LYS 6 22.689 -1.964 -2.812 50 HB3 LYS 6 HB1 LYS 6 23.952 -2.830 -1.885 51 HG2 LYS 6 HG2 LYS 6 21.777 -1.128 -0.500 52 HG3 LYS 6 HG1 LYS 6 21.486 -2.847 -0.937 53 HD2 LYS 6 HD2 LYS 6 23.284 -3.595 0.600 54 HD3 LYS 6 HD1 LYS 6 23.835 -1.901 0.890 55 HE2 LYS 6 HE2 LYS 6 22.560 -2.454 2.847 56 HE3 LYS 6 HE1 LYS 6 21.423 -1.455 1.860 57 HZ1 LYS 6 HZ1 LYS 6 20.577 -3.606 2.906 58 HZ2 LYS 6 HZ2 LYS 6 21.411 -4.418 1.668 59 HZ3 LYS 6 HZ3 LYS 6 20.186 -3.308 1.280 60 H PHE 7 HN PHE 7 24.420 0.488 0.405 61 HA PHE 7 HA PHE 7 21.842 1.821 0.348 62 HB2 PHE 7 HB2 PHE 7 21.650 1.280 2.641 63 HB3 PHE 7 HB1 PHE 7 23.214 0.362 2.504 64 HD1 PHE 7 HD1 PHE 7 21.726 3.646 3.376 65 HD2 PHE 7 HD2 PHE 7 25.123 1.239 3.191 66 HE1 PHE 7 HE1 PHE 7 23.113 5.538 3.763 67 HE2 PHE 7 HE2 PHE 7 26.510 3.052 3.587 68 HZ PHE 7 HZ PHE 7 25.488 5.213 3.809 69 H PHE 8 HN PHE 8 25.237 1.816 0.305 70 HA PHE 8 HA PHE 8 25.249 4.601 0.714 71 HB2 PHE 8 HB2 PHE 8 27.245 3.948 1.524 72 HB3 PHE 8 HB1 PHE 8 27.120 2.342 0.730 73 HD1 PHE 8 HD1 PHE 8 28.787 5.570 0.687 74 HD2 PHE 8 HD2 PHE 8 27.652 2.255 -1.663 75 HE1 PHE 8 HE1 PHE 8 30.156 6.320 -1.169 76 HE2 PHE 8 HE2 PHE 8 28.929 2.970 -3.412 77 HZ PHE 8 HZ PHE 8 30.183 4.996 -3.198 78 H ARG 9 HN ARG 9 24.648 2.381 -1.609 79 HA ARG 9 HA ARG 9 25.353 4.267 -3.603 80 HB2 ARG 9 HB2 ARG 9 24.528 1.389 -3.799 81 HB3 ARG 9 HB1 ARG 9 24.194 2.398 -5.242 82 HG2 ARG 9 HG2 ARG 9 26.608 2.937 -5.430 83 HG3 ARG 9 HG1 ARG 9 26.939 1.993 -3.942 84 HD2 ARG 9 HD2 ARG 9 26.215 -0.131 -5.049 85 HD3 ARG 9 HD1 ARG 9 25.750 0.796 -6.553 86 HE ARG 9 HE ARG 9 28.481 1.434 -5.963 87 HH11 ARG 9 HH11 ARG 9 26.550 -1.450 -6.959 88 HH12 ARG 9 HH12 ARG 9 27.862 -2.200 -7.806 89 HH21 ARG 9 HH21 ARG 9 30.219 0.374 -7.126 90 HH22 ARG 9 HH22 ARG 9 29.961 -1.154 -7.899 91 H ASP 10 HN ASP 10 22.897 3.794 -1.613 92 HA ASP 10 HA ASP 10 20.831 4.212 -3.523 93 HB2 ASP 10 HB2 ASP 10 21.172 3.760 -0.588 94 HB3 ASP 10 HB1 ASP 10 19.646 4.527 -1.149 95 H PHE 11 HN PHE 11 22.513 5.522 -0.969 96 HA PHE 11 HA PHE 11 20.890 7.928 -1.539 97 HB2 PHE 11 HB2 PHE 11 22.146 7.017 0.984 98 HB3 PHE 11 HB1 PHE 11 21.085 8.505 0.899 99 HD1 PHE 11 HD1 PHE 11 21.495 5.422 1.900 100 HD2 PHE 11 HD2 PHE 11 18.516 7.637 -0.096 101 HE1 PHE 11 HE1 PHE 11 20.009 3.777 2.449 102 HE2 PHE 11 HE2 PHE 11 16.883 5.927 0.533 103 HZ PHE 11 HZ PHE 11 17.586 3.960 1.849 104 H ILE 12 HN ILE 12 24.015 6.821 -0.712 105 HA ILE 12 HA ILE 12 24.838 9.235 0.253 106 HB ILE 12 HB ILE 12 26.178 6.810 -0.638 107 HG12 ILE 12 HG12 ILE 12 26.119 6.082 1.442 108 HG13 ILE 12 HG11 ILE 12 26.511 7.647 2.209 109 HG21 ILE 12 HG21 ILE 12 28.366 7.770 0.530 110 HG22 ILE 12 HG22 ILE 12 27.643 9.388 0.234 111 HG23 ILE 12 HG23 ILE 12 27.991 8.281 -1.160 112 HD11 ILE 12 HD11 ILE 12 23.959 8.122 1.618 113 HD12 ILE 12 HD12 ILE 12 24.386 7.074 2.981 114 HD13 ILE 12 HD13 ILE 12 23.911 6.322 1.383 115 H LEU 13 HN LEU 13 25.090 7.844 -2.762 116 HA LEU 13 HA LEU 13 26.744 9.688 -4.072 117 HB2 LEU 13 HB2 LEU 13 24.332 8.321 -5.305 118 HB3 LEU 13 HB1 LEU 13 25.911 8.692 -6.101 119 HG LEU 13 HG LEU 13 25.179 6.557 -4.068 120 HD11 LEU 13 HD11 LEU 13 25.858 4.972 -5.904 121 HD12 LEU 13 HD12 LEU 13 26.101 6.383 -6.997 122 HD13 LEU 13 HD13 LEU 13 24.463 6.042 -6.304 123 HD21 LEU 13 HD21 LEU 13 27.672 5.680 -4.503 124 HD22 LEU 13 HD22 LEU 13 27.340 6.914 -3.232 125 HD23 LEU 13 HD23 LEU 13 28.029 7.421 -4.834 126 H GLN 14 HN GLN 14 23.372 9.652 -3.234 127 HA GLN 14 HA GLN 14 22.705 11.970 -4.900 128 HB2 GLN 14 HB2 GLN 14 21.040 9.886 -3.371 129 HB3 GLN 14 HB1 GLN 14 20.286 11.345 -4.141 130 HG2 GLN 14 HG2 GLN 14 21.300 10.560 -6.390 131 HG3 GLN 14 HG1 GLN 14 21.839 9.049 -5.544 132 HE21 GLN 14 HE21 GLN 14 20.209 8.552 -7.627 133 HE22 GLN 14 HE22 GLN 14 18.594 8.164 -7.140 134 H ARG 15 HN ARG 15 23.924 11.621 -1.684 135 HA ARG 15 HA ARG 15 22.148 13.514 -0.375 136 HB2 ARG 15 HB2 ARG 15 25.021 12.609 0.403 137 HB3 ARG 15 HB1 ARG 15 23.984 13.678 1.420 138 HG2 ARG 15 HG2 ARG 15 22.329 11.872 1.700 139 HG3 ARG 15 HG1 ARG 15 23.243 10.851 0.566 140 HD2 ARG 15 HD2 ARG 15 23.764 9.998 2.836 141 HD3 ARG 15 HD1 ARG 15 25.236 10.888 2.229 142 HE ARG 15 HE ARG 15 23.586 12.791 3.649 143 HH11 ARG 15 HH11 ARG 15 25.580 9.860 4.347 144 HH12 ARG 15 HH12 ARG 15 25.964 10.350 5.963 145 HH21 ARG 15 HH21 ARG 15 24.140 13.399 5.839 146 HH22 ARG 15 HH22 ARG 15 25.139 12.376 6.816 147 H LYS 16 HN LYS 16 25.351 13.441 -1.886 148 HA LYS 16 HA LYS 16 25.558 16.371 -1.844 149 HB2 LYS 16 HB2 LYS 16 27.587 14.224 -2.675 150 HB3 LYS 16 HB1 LYS 16 27.914 16.002 -2.658 151 HG2 LYS 16 HG2 LYS 16 27.541 16.104 -0.219 152 HG3 LYS 16 HG1 LYS 16 27.043 14.381 -0.183 153 HD2 LYS 16 HD2 LYS 16 29.260 14.384 0.621 154 HD3 LYS 16 HD1 LYS 16 29.376 13.794 -1.065 155 HE2 LYS 16 HE2 LYS 16 30.227 16.038 -1.822 156 HE3 LYS 16 HE1 LYS 16 30.024 16.695 -0.146 157 HZ1 LYS 16 HZ1 LYS 16 32.222 15.436 -1.218 158 HZ2 LYS 16 HZ2 LYS 16 31.561 14.301 -0.143 159 HZ3 LYS 16 HZ3 LYS 16 31.960 15.857 0.405 160 H LYS 17 HN LYS 17 24.001 14.262 -3.691 161 HA LYS 17 HA LYS 17 23.077 14.239 -5.623 162 HB2 LYS 17 HB2 LYS 17 24.337 16.982 -6.245 163 HB3 LYS 17 HB1 LYS 17 23.042 16.189 -7.213 164 HG2 LYS 17 HG2 LYS 17 21.501 16.245 -5.236 165 HG3 LYS 17 HG1 LYS 17 22.794 17.012 -4.237 166 HD2 LYS 17 HD2 LYS 17 22.825 18.970 -5.788 167 HD3 LYS 17 HD1 LYS 17 21.537 18.214 -6.789 168 HE2 LYS 17 HE2 LYS 17 19.944 18.327 -4.827 169 HE3 LYS 17 HE1 LYS 17 21.248 19.082 -3.818 170 HZ1 LYS 17 HZ1 LYS 17 19.705 20.680 -4.780 171 HZ2 LYS 17 HZ2 LYS 17 20.157 20.214 -6.349 172 HZ3 LYS 17 HZ3 LYS 17 21.296 20.933 -5.317 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 31.520 -10.238 -2.434 2 H2 GLU 1 HT2 GLU 1 31.842 -8.610 -2.075 3 H3 GLU 1 HT3 GLU 1 30.986 -9.014 -3.485 4 HA GLU 1 HA GLU 1 29.109 -8.842 -2.430 5 HB2 GLU 1 HB2 GLU 1 30.361 -11.021 -0.626 6 HB3 GLU 1 HB1 GLU 1 28.676 -10.433 -0.360 7 HG2 GLU 1 HG2 GLU 1 28.032 -11.157 -2.696 8 HG3 GLU 1 HG1 GLU 1 29.716 -11.748 -2.979 9 H MET 2 HN MET 2 28.440 -7.008 -1.375 10 HA MET 2 HA MET 2 29.844 -6.297 1.125 11 HB2 MET 2 HB2 MET 2 28.474 -4.242 -0.717 12 HB3 MET 2 HB1 MET 2 29.557 -3.917 0.686 13 HG2 MET 2 HG2 MET 2 31.075 -3.534 -0.999 14 HG3 MET 2 HG1 MET 2 31.353 -5.293 -0.815 15 HE1 MET 2 HE1 MET 2 31.915 -4.678 -4.622 16 HE2 MET 2 HE2 MET 2 32.563 -5.338 -3.080 17 HE3 MET 2 HE3 MET 2 32.285 -3.569 -3.255 18 H ARG 3 HN ARG 3 28.188 -4.373 2.126 19 HA ARG 3 HA ARG 3 25.557 -5.614 2.314 20 HB2 ARG 3 HB2 ARG 3 27.360 -6.498 4.050 21 HB3 ARG 3 HB1 ARG 3 27.279 -4.852 4.747 22 HG2 ARG 3 HG2 ARG 3 24.590 -6.186 4.429 23 HG3 ARG 3 HG1 ARG 3 25.727 -7.080 5.495 24 HD2 ARG 3 HD2 ARG 3 26.031 -5.097 6.960 25 HD3 ARG 3 HD1 ARG 3 25.050 -4.058 5.831 26 HE ARG 3 HE ARG 3 23.466 -6.358 6.631 27 HH11 ARG 3 HH11 ARG 3 24.806 -3.310 8.030 28 HH12 ARG 3 HH12 ARG 3 23.556 -3.155 9.220 29 HH21 ARG 3 HH21 ARG 3 21.805 -6.096 8.257 30 HH22 ARG 3 HH22 ARG 3 21.839 -4.752 9.349 31 H LEU 4 HN LEU 4 27.762 -2.948 2.748 32 HA LEU 4 HA LEU 4 25.525 -1.165 3.219 33 HB2 LEU 4 HB2 LEU 4 26.780 0.186 4.576 34 HB3 LEU 4 HB1 LEU 4 27.281 -1.485 5.005 35 HG LEU 4 HG LEU 4 29.251 -0.105 5.071 36 HD11 LEU 4 HD11 LEU 4 29.457 -2.431 3.969 37 HD12 LEU 4 HD12 LEU 4 30.813 -1.272 3.674 38 HD13 LEU 4 HD13 LEU 4 29.584 -1.571 2.384 39 HD21 LEU 4 HD21 LEU 4 29.372 0.802 2.197 40 HD22 LEU 4 HD22 LEU 4 29.793 1.674 3.720 41 HD23 LEU 4 HD23 LEU 4 28.071 1.562 3.184 42 H SER 5 HN SER 5 27.734 -2.039 0.809 43 HA SER 5 HA SER 5 28.165 0.641 -0.062 44 HB2 SER 5 HB2 SER 5 28.918 -1.934 -1.549 45 HB3 SER 5 HB1 SER 5 29.403 -0.263 -2.035 46 HG SER 5 HG SER 5 30.147 -0.294 0.345 47 H LYS 6 HN LYS 6 25.628 -1.378 -0.388 48 HA LYS 6 HA LYS 6 24.774 -0.325 -2.983 49 HB2 LYS 6 HB2 LYS 6 22.645 -1.729 -2.108 50 HB3 LYS 6 HB1 LYS 6 24.061 -2.483 -2.921 51 HG2 LYS 6 HG2 LYS 6 23.891 -3.825 -1.010 52 HG3 LYS 6 HG1 LYS 6 25.102 -2.608 -0.553 53 HD2 LYS 6 HD2 LYS 6 23.995 -1.879 1.186 54 HD3 LYS 6 HD1 LYS 6 22.454 -1.675 0.256 55 HE2 LYS 6 HE2 LYS 6 23.413 -4.405 1.354 56 HE3 LYS 6 HE1 LYS 6 22.411 -3.250 2.316 57 HZ1 LYS 6 HZ1 LYS 6 21.409 -3.875 -0.359 58 HZ2 LYS 6 HZ2 LYS 6 20.588 -3.733 1.121 59 HZ3 LYS 6 HZ3 LYS 6 21.414 -5.168 0.743 60 H PHE 7 HN PHE 7 24.709 0.493 0.289 61 HA PHE 7 HA PHE 7 22.090 1.735 0.232 62 HB2 PHE 7 HB2 PHE 7 21.877 1.123 2.513 63 HB3 PHE 7 HB1 PHE 7 23.485 0.287 2.402 64 HD1 PHE 7 HD1 PHE 7 21.821 3.485 3.297 65 HD2 PHE 7 HD2 PHE 7 25.332 1.266 3.124 66 HE1 PHE 7 HE1 PHE 7 23.108 5.441 3.731 67 HE2 PHE 7 HE2 PHE 7 26.631 3.125 3.565 68 HZ PHE 7 HZ PHE 7 25.503 5.240 3.811 69 H PHE 8 HN PHE 8 25.504 1.854 0.245 70 HA PHE 8 HA PHE 8 25.400 4.604 0.690 71 HB2 PHE 8 HB2 PHE 8 27.406 4.047 1.546 72 HB3 PHE 8 HB1 PHE 8 27.374 2.451 0.729 73 HD1 PHE 8 HD1 PHE 8 28.869 5.761 0.744 74 HD2 PHE 8 HD2 PHE 8 27.979 2.390 -1.625 75 HE1 PHE 8 HE1 PHE 8 30.247 6.582 -1.073 76 HE2 PHE 8 HE2 PHE 8 29.264 3.168 -3.340 77 HZ PHE 8 HZ PHE 8 30.405 5.256 -3.093 78 H ARG 9 HN ARG 9 24.972 2.383 -1.669 79 HA ARG 9 HA ARG 9 25.619 4.355 -3.616 80 HB2 ARG 9 HB2 ARG 9 24.941 1.444 -3.914 81 HB3 ARG 9 HB1 ARG 9 24.610 2.482 -5.337 82 HG2 ARG 9 HG2 ARG 9 27.005 3.131 -5.421 83 HG3 ARG 9 HG1 ARG 9 27.324 2.148 -3.956 84 HD2 ARG 9 HD2 ARG 9 26.703 0.036 -5.172 85 HD3 ARG 9 HD1 ARG 9 26.291 1.011 -6.661 86 HE ARG 9 HE ARG 9 28.972 1.687 -5.878 87 HH11 ARG 9 HH11 ARG 9 27.159 -1.156 -7.174 88 HH12 ARG 9 HH12 ARG 9 28.533 -1.826 -7.990 89 HH21 ARG 9 HH21 ARG 9 30.796 0.732 -7.003 90 HH22 ARG 9 HH22 ARG 9 30.614 -0.744 -7.890 91 H ASP 10 HN ASP 10 23.140 3.719 -1.696 92 HA ASP 10 HA ASP 10 21.106 4.085 -3.654 93 HB2 ASP 10 HB2 ASP 10 21.380 3.587 -0.724 94 HB3 ASP 10 HB1 ASP 10 19.854 4.336 -1.300 95 H PHE 11 HN PHE 11 22.678 5.390 -1.027 96 HA PHE 11 HA PHE 11 20.945 7.746 -1.610 97 HB2 PHE 11 HB2 PHE 11 22.185 6.861 0.932 98 HB3 PHE 11 HB1 PHE 11 21.070 8.311 0.840 99 HD1 PHE 11 HD1 PHE 11 21.573 5.222 1.785 100 HD2 PHE 11 HD2 PHE 11 18.555 7.374 -0.212 101 HE1 PHE 11 HE1 PHE 11 20.145 3.513 2.269 102 HE2 PHE 11 HE2 PHE 11 16.974 5.593 0.349 103 HZ PHE 11 HZ PHE 11 17.725 3.622 1.631 104 H ILE 12 HN ILE 12 24.097 6.796 -0.721 105 HA ILE 12 HA ILE 12 24.777 9.234 0.289 106 HB ILE 12 HB ILE 12 26.248 6.888 -0.611 107 HG12 ILE 12 HG12 ILE 12 26.168 6.124 1.453 108 HG13 ILE 12 HG11 ILE 12 26.492 7.688 2.254 109 HG21 ILE 12 HG21 ILE 12 28.366 7.934 0.614 110 HG22 ILE 12 HG22 ILE 12 27.573 9.519 0.327 111 HG23 ILE 12 HG23 ILE 12 28.000 8.452 -1.074 112 HD11 ILE 12 HD11 ILE 12 24.379 7.039 2.981 113 HD12 ILE 12 HD12 ILE 12 23.963 6.275 1.377 114 HD13 ILE 12 HD13 ILE 12 23.932 8.077 1.604 115 H LEU 13 HN LEU 13 25.154 7.900 -2.740 116 HA LEU 13 HA LEU 13 26.751 9.830 -3.992 117 HB2 LEU 13 HB2 LEU 13 24.421 8.367 -5.279 118 HB3 LEU 13 HB1 LEU 13 25.983 8.835 -6.055 119 HG LEU 13 HG LEU 13 25.346 6.631 -4.066 120 HD11 LEU 13 HD11 LEU 13 26.143 5.117 -5.910 121 HD12 LEU 13 HD12 LEU 13 26.334 6.558 -6.976 122 HD13 LEU 13 HD13 LEU 13 24.702 6.119 -6.324 123 HD21 LEU 13 HD21 LEU 13 27.890 5.898 -4.463 124 HD22 LEU 13 HD22 LEU 13 27.467 7.091 -3.179 125 HD23 LEU 13 HD23 LEU 13 28.159 7.662 -4.759 126 H GLN 14 HN GLN 14 23.356 9.620 -3.260 127 HA GLN 14 HA GLN 14 22.629 11.939 -4.894 128 HB2 GLN 14 HB2 GLN 14 21.034 9.757 -3.431 129 HB3 GLN 14 HB1 GLN 14 20.223 11.207 -4.157 130 HG2 GLN 14 HG2 GLN 14 21.325 10.523 -6.425 131 HG3 GLN 14 HG1 GLN 14 21.850 8.995 -5.604 132 HE21 GLN 14 HE21 GLN 14 20.518 7.566 -6.844 133 HE22 GLN 14 HE22 GLN 14 18.788 7.551 -6.744 134 H ARG 15 HN ARG 15 23.787 11.601 -1.646 135 HA ARG 15 HA ARG 15 21.916 13.439 -0.389 136 HB2 ARG 15 HB2 ARG 15 24.784 12.632 0.501 137 HB3 ARG 15 HB1 ARG 15 23.643 13.623 1.486 138 HG2 ARG 15 HG2 ARG 15 22.057 11.723 1.614 139 HG3 ARG 15 HG1 ARG 15 23.113 10.776 0.539 140 HD2 ARG 15 HD2 ARG 15 23.530 9.907 2.810 141 HD3 ARG 15 HD1 ARG 15 24.973 10.926 2.355 142 HE ARG 15 HE ARG 15 23.088 12.667 3.669 143 HH11 ARG 15 HH11 ARG 15 25.146 9.814 4.493 144 HH12 ARG 15 HH12 ARG 15 25.325 10.263 6.157 145 HH21 ARG 15 HH21 ARG 15 23.362 13.217 5.926 146 HH22 ARG 15 HH22 ARG 15 24.303 12.210 6.976 147 H LYS 16 HN LYS 16 25.175 13.458 -1.809 148 HA LYS 16 HA LYS 16 25.325 16.387 -1.737 149 HB2 LYS 16 HB2 LYS 16 27.339 14.292 -2.734 150 HB3 LYS 16 HB1 LYS 16 27.652 16.069 -2.640 151 HG2 LYS 16 HG2 LYS 16 27.298 15.991 -0.151 152 HG3 LYS 16 HG1 LYS 16 27.029 14.213 -0.257 153 HD2 LYS 16 HD2 LYS 16 29.316 13.912 -1.196 154 HD3 LYS 16 HD1 LYS 16 29.593 15.688 -1.115 155 HE2 LYS 16 HE2 LYS 16 29.388 15.604 1.406 156 HE3 LYS 16 HE1 LYS 16 29.112 13.815 1.319 157 HZ1 LYS 16 HZ1 LYS 16 31.355 14.133 1.781 158 HZ2 LYS 16 HZ2 LYS 16 31.554 15.348 0.610 159 HZ3 LYS 16 HZ3 LYS 16 31.313 13.737 0.129 160 H LYS 17 HN LYS 17 23.772 14.268 -3.612 161 HA LYS 17 HA LYS 17 22.821 14.257 -5.528 162 HB2 LYS 17 HB2 LYS 17 23.920 17.085 -6.080 163 HB3 LYS 17 HB1 LYS 17 22.639 16.258 -7.039 164 HG2 LYS 17 HG2 LYS 17 21.157 16.169 -5.016 165 HG3 LYS 17 HG1 LYS 17 22.438 16.972 -4.030 166 HD2 LYS 17 HD2 LYS 17 22.319 18.976 -5.515 167 HD3 LYS 17 HD1 LYS 17 21.043 18.185 -6.504 168 HE2 LYS 17 HE2 LYS 17 19.507 18.151 -4.493 169 HE3 LYS 17 HE1 LYS 17 20.799 18.945 -3.500 170 HZ1 LYS 17 HZ1 LYS 17 20.265 20.894 -4.334 171 HZ2 LYS 17 HZ2 LYS 17 18.874 20.175 -4.993 172 HZ3 LYS 17 HZ3 LYS 17 20.272 20.346 -5.942 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 32.319 -9.584 -2.433 2 H2 GLU 1 HT2 GLU 1 32.733 -8.033 -1.879 3 H3 GLU 1 HT3 GLU 1 32.239 -8.256 -3.488 4 HA GLU 1 HA GLU 1 30.245 -7.681 -2.844 5 HB2 GLU 1 HB2 GLU 1 30.491 -10.442 -1.473 6 HB3 GLU 1 HB1 GLU 1 28.935 -9.530 -1.470 7 HG2 GLU 1 HG2 GLU 1 28.908 -9.532 -4.000 8 HG3 GLU 1 HG1 GLU 1 30.463 -10.450 -4.017 9 H MET 2 HN MET 2 29.329 -6.188 -1.454 10 HA MET 2 HA MET 2 30.268 -6.225 1.351 11 HB2 MET 2 HB2 MET 2 29.351 -3.767 -0.268 12 HB3 MET 2 HB1 MET 2 29.934 -3.744 1.430 13 HG2 MET 2 HG2 MET 2 32.187 -4.678 0.569 14 HG3 MET 2 HG1 MET 2 31.579 -4.427 -1.094 15 HE1 MET 2 HE1 MET 2 31.559 -2.336 2.389 16 HE2 MET 2 HE2 MET 2 32.977 -1.294 2.028 17 HE3 MET 2 HE3 MET 2 33.161 -3.081 2.051 18 H ARG 3 HN ARG 3 28.588 -4.705 2.643 19 HA ARG 3 HA ARG 3 26.037 -6.041 2.260 20 HB2 ARG 3 HB2 ARG 3 27.611 -6.498 4.303 21 HB3 ARG 3 HB1 ARG 3 27.165 -4.847 4.830 22 HG2 ARG 3 HG2 ARG 3 24.825 -6.661 4.185 23 HG3 ARG 3 HG1 ARG 3 25.860 -7.219 5.543 24 HD2 ARG 3 HD2 ARG 3 25.531 -5.062 6.760 25 HD3 ARG 3 HD1 ARG 3 24.592 -4.380 5.356 26 HE ARG 3 HE ARG 3 23.385 -6.883 6.232 27 HH11 ARG 3 HH11 ARG 3 23.750 -3.440 7.260 28 HH12 ARG 3 HH12 ARG 3 22.281 -3.423 8.178 29 HH21 ARG 3 HH21 ARG 3 21.412 -6.801 7.483 30 HH22 ARG 3 HH22 ARG 3 20.945 -5.349 8.302 31 H LEU 4 HN LEU 4 27.584 -3.004 2.981 32 HA LEU 4 HA LEU 4 25.070 -1.586 3.168 33 HB2 LEU 4 HB2 LEU 4 26.311 0.054 4.371 34 HB3 LEU 4 HB1 LEU 4 26.742 -1.573 5.002 35 HG LEU 4 HG LEU 4 28.692 -1.280 3.045 36 HD11 LEU 4 HD11 LEU 4 28.325 1.555 4.181 37 HD12 LEU 4 HD12 LEU 4 27.859 1.026 2.516 38 HD13 LEU 4 HD13 LEU 4 29.597 0.983 3.028 39 HD21 LEU 4 HD21 LEU 4 28.872 -0.410 5.984 40 HD22 LEU 4 HD22 LEU 4 30.259 -0.842 4.909 41 HD23 LEU 4 HD23 LEU 4 29.012 -2.092 5.323 42 H SER 5 HN SER 5 27.367 -2.230 0.784 43 HA SER 5 HA SER 5 27.737 0.402 -0.106 44 HB2 SER 5 HB2 SER 5 28.904 -0.433 -2.091 45 HB3 SER 5 HB1 SER 5 29.429 -1.400 -0.669 46 HG SER 5 HG SER 5 27.450 -2.134 -2.576 47 H LYS 6 HN LYS 6 25.108 -1.624 -0.314 48 HA LYS 6 HA LYS 6 24.184 -0.470 -2.847 49 HB2 LYS 6 HB2 LYS 6 22.426 -1.950 -2.738 50 HB3 LYS 6 HB1 LYS 6 23.717 -2.844 -1.878 51 HG2 LYS 6 HG2 LYS 6 21.625 -1.123 -0.383 52 HG3 LYS 6 HG1 LYS 6 21.306 -2.840 -0.806 53 HD2 LYS 6 HD2 LYS 6 23.217 -3.579 0.619 54 HD3 LYS 6 HD1 LYS 6 23.716 -1.879 0.933 55 HE2 LYS 6 HE2 LYS 6 22.537 -2.592 2.920 56 HE3 LYS 6 HE1 LYS 6 21.377 -1.520 2.043 57 HZ1 LYS 6 HZ1 LYS 6 20.017 -3.234 2.447 58 HZ2 LYS 6 HZ2 LYS 6 21.257 -4.390 2.558 59 HZ3 LYS 6 HZ3 LYS 6 20.700 -3.885 1.036 60 H PHE 7 HN PHE 7 24.255 0.456 0.419 61 HA PHE 7 HA PHE 7 21.707 1.846 0.383 62 HB2 PHE 7 HB2 PHE 7 21.526 1.283 2.674 63 HB3 PHE 7 HB1 PHE 7 23.077 0.346 2.513 64 HD1 PHE 7 HD1 PHE 7 21.656 3.658 3.407 65 HD2 PHE 7 HD2 PHE 7 24.989 1.177 3.205 66 HE1 PHE 7 HE1 PHE 7 23.084 5.515 3.801 67 HE2 PHE 7 HE2 PHE 7 26.430 2.942 3.627 68 HZ PHE 7 HZ PHE 7 25.453 5.140 3.845 69 H PHE 8 HN PHE 8 25.097 1.765 0.341 70 HA PHE 8 HA PHE 8 25.174 4.542 0.760 71 HB2 PHE 8 HB2 PHE 8 27.134 3.805 1.583 72 HB3 PHE 8 HB1 PHE 8 26.969 2.219 0.755 73 HD1 PHE 8 HD1 PHE 8 28.731 5.393 0.808 74 HD2 PHE 8 HD2 PHE 8 27.522 2.167 -1.626 75 HE1 PHE 8 HE1 PHE 8 30.166 6.121 -1.005 76 HE2 PHE 8 HE2 PHE 8 28.856 2.860 -3.332 77 HZ PHE 8 HZ PHE 8 30.185 4.826 -3.047 78 H ARG 9 HN ARG 9 24.534 2.348 -1.579 79 HA ARG 9 HA ARG 9 25.284 4.232 -3.561 80 HB2 ARG 9 HB2 ARG 9 24.395 1.376 -3.786 81 HB3 ARG 9 HB1 ARG 9 24.104 2.408 -5.224 82 HG2 ARG 9 HG2 ARG 9 26.519 2.877 -5.405 83 HG3 ARG 9 HG1 ARG 9 26.828 1.962 -3.896 84 HD2 ARG 9 HD2 ARG 9 26.026 -0.172 -4.981 85 HD3 ARG 9 HD1 ARG 9 25.689 0.751 -6.522 86 HE ARG 9 HE ARG 9 28.393 1.313 -5.834 87 HH11 ARG 9 HH11 ARG 9 26.455 -1.607 -6.709 88 HH12 ARG 9 HH12 ARG 9 27.797 -2.447 -7.411 89 HH21 ARG 9 HH21 ARG 9 30.170 0.127 -6.793 90 HH22 ARG 9 HH22 ARG 9 29.923 -1.453 -7.457 91 H ASP 10 HN ASP 10 22.818 3.791 -1.581 92 HA ASP 10 HA ASP 10 20.766 4.255 -3.490 93 HB2 ASP 10 HB2 ASP 10 21.094 3.791 -0.557 94 HB3 ASP 10 HB1 ASP 10 19.589 4.596 -1.115 95 H PHE 11 HN PHE 11 22.468 5.526 -0.927 96 HA PHE 11 HA PHE 11 20.901 7.970 -1.487 97 HB2 PHE 11 HB2 PHE 11 22.133 7.024 1.034 98 HB3 PHE 11 HB1 PHE 11 21.096 8.531 0.950 99 HD1 PHE 11 HD1 PHE 11 21.454 5.445 1.951 100 HD2 PHE 11 HD2 PHE 11 18.519 7.702 -0.062 101 HE1 PHE 11 HE1 PHE 11 19.940 3.820 2.490 102 HE2 PHE 11 HE2 PHE 11 16.859 6.017 0.556 103 HZ PHE 11 HZ PHE 11 17.525 4.039 1.875 104 H ILE 12 HN ILE 12 24.006 6.788 -0.688 105 HA ILE 12 HA ILE 12 24.872 9.182 0.305 106 HB ILE 12 HB ILE 12 26.161 6.734 -0.601 107 HG12 ILE 12 HG12 ILE 12 26.094 6.002 1.477 108 HG13 ILE 12 HG11 ILE 12 26.519 7.557 2.246 109 HG21 ILE 12 HG21 ILE 12 27.685 9.274 0.277 110 HG22 ILE 12 HG22 ILE 12 28.000 8.173 -1.127 111 HG23 ILE 12 HG23 ILE 12 28.373 7.632 0.552 112 HD11 ILE 12 HD11 ILE 12 24.389 7.020 3.024 113 HD12 ILE 12 HD12 ILE 12 23.891 6.287 1.429 114 HD13 ILE 12 HD13 ILE 12 23.977 8.085 1.657 115 H LEU 13 HN LEU 13 25.072 7.817 -2.723 116 HA LEU 13 HA LEU 13 26.744 9.675 -4.017 117 HB2 LEU 13 HB2 LEU 13 24.365 8.312 -5.297 118 HB3 LEU 13 HB1 LEU 13 25.975 8.654 -6.041 119 HG LEU 13 HG LEU 13 25.153 6.540 -4.014 120 HD11 LEU 13 HD11 LEU 13 24.471 6.024 -6.262 121 HD12 LEU 13 HD12 LEU 13 25.843 4.935 -5.831 122 HD13 LEU 13 HD13 LEU 13 26.123 6.340 -6.926 123 HD21 LEU 13 HD21 LEU 13 27.638 5.617 -4.402 124 HD22 LEU 13 HD22 LEU 13 27.309 6.867 -3.146 125 HD23 LEU 13 HD23 LEU 13 28.029 7.349 -4.741 126 H GLN 14 HN GLN 14 23.410 9.652 -3.105 127 HA GLN 14 HA GLN 14 22.720 11.986 -4.758 128 HB2 GLN 14 HB2 GLN 14 21.055 9.860 -3.284 129 HB3 GLN 14 HB1 GLN 14 20.305 11.335 -4.027 130 HG2 GLN 14 HG2 GLN 14 21.346 10.606 -6.287 131 HG3 GLN 14 HG1 GLN 14 21.873 9.075 -5.470 132 HE21 GLN 14 HE21 GLN 14 20.523 7.607 -6.601 133 HE22 GLN 14 HE22 GLN 14 18.794 7.616 -6.506 134 H ARG 15 HN ARG 15 24.008 11.552 -1.611 135 HA ARG 15 HA ARG 15 22.315 13.506 -0.266 136 HB2 ARG 15 HB2 ARG 15 25.168 12.480 0.457 137 HB3 ARG 15 HB1 ARG 15 24.211 13.614 1.485 138 HG2 ARG 15 HG2 ARG 15 22.485 11.900 1.858 139 HG3 ARG 15 HG1 ARG 15 23.281 10.817 0.692 140 HD2 ARG 15 HD2 ARG 15 23.839 9.941 2.931 141 HD3 ARG 15 HD1 ARG 15 25.340 10.733 2.270 142 HE ARG 15 HE ARG 15 23.886 12.734 3.759 143 HH11 ARG 15 HH11 ARG 15 25.667 9.650 4.361 144 HH12 ARG 15 HH12 ARG 15 26.139 10.084 5.971 145 HH21 ARG 15 HH21 ARG 15 24.549 13.266 5.943 146 HH22 ARG 15 HH22 ARG 15 25.496 12.155 6.875 147 H LYS 16 HN LYS 16 25.482 13.222 -1.796 148 HA LYS 16 HA LYS 16 25.451 16.116 -2.382 149 HB2 LYS 16 HB2 LYS 16 27.767 14.103 -2.156 150 HB3 LYS 16 HB1 LYS 16 27.955 15.766 -2.840 151 HG2 LYS 16 HG2 LYS 16 27.172 16.761 -0.696 152 HG3 LYS 16 HG1 LYS 16 26.943 15.119 0.006 153 HD2 LYS 16 HD2 LYS 16 29.360 14.641 -0.287 154 HD3 LYS 16 HD1 LYS 16 29.610 16.272 -1.005 155 HE2 LYS 16 HE2 LYS 16 28.912 17.343 1.184 156 HE3 LYS 16 HE1 LYS 16 28.665 15.697 1.901 157 HZ1 LYS 16 HZ1 LYS 16 31.250 16.531 0.710 158 HZ2 LYS 16 HZ2 LYS 16 30.926 15.262 1.790 159 HZ3 LYS 16 HZ3 LYS 16 30.841 16.873 2.322 160 H LYS 17 HN LYS 17 23.928 15.732 -3.953 161 HA LYS 17 HA LYS 17 24.002 13.964 -6.068 162 HB2 LYS 17 HB2 LYS 17 22.996 16.891 -6.145 163 HB3 LYS 17 HB1 LYS 17 22.475 15.557 -7.243 164 HG2 LYS 17 HG2 LYS 17 21.507 14.323 -5.274 165 HG3 LYS 17 HG1 LYS 17 22.023 15.664 -4.184 166 HD2 LYS 17 HD2 LYS 17 20.543 17.258 -5.461 167 HD3 LYS 17 HD1 LYS 17 20.021 15.911 -6.536 168 HE2 LYS 17 HE2 LYS 17 19.010 14.713 -4.554 169 HE3 LYS 17 HE1 LYS 17 19.548 16.060 -3.468 170 HZ1 LYS 17 HZ1 LYS 17 17.680 16.309 -5.776 171 HZ2 LYS 17 HZ2 LYS 17 18.170 17.563 -4.741 172 HZ3 LYS 17 HZ3 LYS 17 17.253 16.270 -4.132 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 32.971 -8.286 -1.533 2 H2 GLU 1 HT2 GLU 1 32.544 -9.323 -2.807 3 H3 GLU 1 HT3 GLU 1 32.814 -9.955 -1.254 4 HA GLU 1 HA GLU 1 30.514 -8.576 -2.350 5 HB2 GLU 1 HB2 GLU 1 30.994 -10.806 -0.263 6 HB3 GLU 1 HB1 GLU 1 29.356 -10.094 -0.520 7 HG2 GLU 1 HG2 GLU 1 29.410 -10.807 -2.949 8 HG3 GLU 1 HG1 GLU 1 31.047 -11.532 -2.699 9 H MET 2 HN MET 2 29.272 -6.987 -1.340 10 HA MET 2 HA MET 2 30.205 -6.095 1.318 11 HB2 MET 2 HB2 MET 2 28.896 -4.243 -0.767 12 HB3 MET 2 HB1 MET 2 29.675 -3.768 0.785 13 HG2 MET 2 HG2 MET 2 31.378 -3.183 -0.647 14 HG3 MET 2 HG1 MET 2 31.870 -4.876 -0.335 15 HE1 MET 2 HE1 MET 2 33.012 -3.150 -2.638 16 HE2 MET 2 HE2 MET 2 33.020 -4.326 -3.999 17 HE3 MET 2 HE3 MET 2 33.443 -4.871 -2.338 18 H ARG 3 HN ARG 3 28.302 -4.472 2.142 19 HA ARG 3 HA ARG 3 25.785 -5.948 1.954 20 HB2 ARG 3 HB2 ARG 3 27.378 -6.680 3.904 21 HB3 ARG 3 HB1 ARG 3 27.163 -5.025 4.549 22 HG2 ARG 3 HG2 ARG 3 24.594 -6.527 3.982 23 HG3 ARG 3 HG1 ARG 3 25.648 -7.273 5.231 24 HD2 ARG 3 HD2 ARG 3 25.649 -5.171 6.578 25 HD3 ARG 3 HD1 ARG 3 24.710 -4.301 5.282 26 HE ARG 3 HE ARG 3 23.262 -6.690 6.099 27 HH11 ARG 3 HH11 ARG 3 24.137 -3.407 7.325 28 HH12 ARG 3 HH12 ARG 3 22.748 -3.278 8.352 29 HH21 ARG 3 HH21 ARG 3 21.404 -6.459 7.502 30 HH22 ARG 3 HH22 ARG 3 21.184 -5.028 8.451 31 H LEU 4 HN LEU 4 27.637 -3.079 2.687 32 HA LEU 4 HA LEU 4 25.282 -1.449 3.103 33 HB2 LEU 4 HB2 LEU 4 26.565 0.018 4.386 34 HB3 LEU 4 HB1 LEU 4 27.134 -1.623 4.840 35 HG LEU 4 HG LEU 4 29.044 -0.160 4.785 36 HD11 LEU 4 HD11 LEU 4 30.618 -1.286 3.355 37 HD12 LEU 4 HD12 LEU 4 29.339 -1.755 2.170 38 HD13 LEU 4 HD13 LEU 4 29.366 -2.503 3.815 39 HD21 LEU 4 HD21 LEU 4 27.762 1.365 2.847 40 HD22 LEU 4 HD22 LEU 4 29.076 0.618 1.881 41 HD23 LEU 4 HD23 LEU 4 29.478 1.575 3.359 42 H SER 5 HN SER 5 27.370 -2.222 0.595 43 HA SER 5 HA SER 5 27.781 0.423 -0.303 44 HB2 SER 5 HB2 SER 5 28.947 -0.405 -2.257 45 HB3 SER 5 HB1 SER 5 29.425 -1.469 -0.886 46 HG SER 5 HG SER 5 27.194 -2.177 -2.429 47 H LYS 6 HN LYS 6 25.108 -1.599 -0.459 48 HA LYS 6 HA LYS 6 24.152 -0.392 -2.939 49 HB2 LYS 6 HB2 LYS 6 22.404 -1.874 -2.845 50 HB3 LYS 6 HB1 LYS 6 23.688 -2.786 -1.994 51 HG2 LYS 6 HG2 LYS 6 21.621 -1.058 -0.479 52 HG3 LYS 6 HG1 LYS 6 21.269 -2.763 -0.931 53 HD2 LYS 6 HD2 LYS 6 23.126 -3.575 0.501 54 HD3 LYS 6 HD1 LYS 6 23.719 -1.899 0.804 55 HE2 LYS 6 HE2 LYS 6 22.521 -2.488 2.803 56 HE3 LYS 6 HE1 LYS 6 21.367 -1.433 1.896 57 HZ1 LYS 6 HZ1 LYS 6 20.183 -3.286 2.705 58 HZ2 LYS 6 HZ2 LYS 6 21.319 -4.405 2.121 59 HZ3 LYS 6 HZ3 LYS 6 20.351 -3.533 1.033 60 H PHE 7 HN PHE 7 24.327 0.482 0.329 61 HA PHE 7 HA PHE 7 21.782 1.873 0.392 62 HB2 PHE 7 HB2 PHE 7 21.664 1.288 2.679 63 HB3 PHE 7 HB1 PHE 7 23.208 0.350 2.470 64 HD1 PHE 7 HD1 PHE 7 21.805 3.642 3.445 65 HD2 PHE 7 HD2 PHE 7 25.152 1.191 3.101 66 HE1 PHE 7 HE1 PHE 7 23.233 5.508 3.808 67 HE2 PHE 7 HE2 PHE 7 26.581 2.974 3.483 68 HZ PHE 7 HZ PHE 7 25.604 5.144 3.763 69 H PHE 8 HN PHE 8 25.172 1.792 0.224 70 HA PHE 8 HA PHE 8 25.266 4.567 0.676 71 HB2 PHE 8 HB2 PHE 8 27.275 3.842 1.398 72 HB3 PHE 8 HB1 PHE 8 27.082 2.259 0.566 73 HD1 PHE 8 HD1 PHE 8 28.782 5.483 0.510 74 HD2 PHE 8 HD2 PHE 8 27.548 2.191 -1.818 75 HE1 PHE 8 HE1 PHE 8 30.084 6.243 -1.391 76 HE2 PHE 8 HE2 PHE 8 28.764 2.912 -3.609 77 HZ PHE 8 HZ PHE 8 30.033 4.935 -3.428 78 H ARG 9 HN ARG 9 24.528 2.399 -1.658 79 HA ARG 9 HA ARG 9 25.197 4.305 -3.650 80 HB2 ARG 9 HB2 ARG 9 24.307 1.448 -3.858 81 HB3 ARG 9 HB1 ARG 9 23.945 2.488 -5.272 82 HG2 ARG 9 HG2 ARG 9 26.364 2.980 -5.532 83 HG3 ARG 9 HG1 ARG 9 26.722 2.003 -4.072 84 HD2 ARG 9 HD2 ARG 9 25.897 -0.084 -5.192 85 HD3 ARG 9 HD1 ARG 9 25.430 0.885 -6.669 86 HE ARG 9 HE ARG 9 28.188 1.435 -6.132 87 HH11 ARG 9 HH11 ARG 9 26.154 -1.381 -7.115 88 HH12 ARG 9 HH12 ARG 9 27.427 -2.161 -7.994 89 HH21 ARG 9 HH21 ARG 9 29.871 0.337 -7.334 90 HH22 ARG 9 HH22 ARG 9 29.555 -1.175 -8.118 91 H ASP 10 HN ASP 10 22.805 3.844 -1.582 92 HA ASP 10 HA ASP 10 20.684 4.324 -3.413 93 HB2 ASP 10 HB2 ASP 10 21.117 3.821 -0.501 94 HB3 ASP 10 HB1 ASP 10 19.588 4.625 -0.994 95 H PHE 11 HN PHE 11 22.473 5.568 -0.897 96 HA PHE 11 HA PHE 11 20.874 8.010 -1.372 97 HB2 PHE 11 HB2 PHE 11 22.208 7.033 1.089 98 HB3 PHE 11 HB1 PHE 11 21.169 8.541 1.068 99 HD1 PHE 11 HD1 PHE 11 21.561 5.436 1.997 100 HD2 PHE 11 HD2 PHE 11 18.551 7.732 0.149 101 HE1 PHE 11 HE1 PHE 11 20.070 3.804 2.570 102 HE2 PHE 11 HE2 PHE 11 16.914 6.039 0.806 103 HZ PHE 11 HZ PHE 11 17.631 4.037 2.060 104 H ILE 12 HN ILE 12 24.010 6.834 -0.691 105 HA ILE 12 HA ILE 12 24.906 9.223 0.285 106 HB ILE 12 HB ILE 12 26.174 6.790 -0.693 107 HG12 ILE 12 HG12 ILE 12 26.178 6.030 1.376 108 HG13 ILE 12 HG11 ILE 12 26.625 7.576 2.151 109 HG21 ILE 12 HG21 ILE 12 27.984 8.253 -1.262 110 HG22 ILE 12 HG22 ILE 12 28.419 7.697 0.400 111 HG23 ILE 12 HG23 ILE 12 27.709 9.331 0.168 112 HD11 ILE 12 HD11 ILE 12 24.525 7.026 2.995 113 HD12 ILE 12 HD12 ILE 12 23.976 6.308 1.412 114 HD13 ILE 12 HD13 ILE 12 24.063 8.104 1.656 115 H LEU 13 HN LEU 13 25.016 7.875 -2.762 116 HA LEU 13 HA LEU 13 26.640 9.736 -4.101 117 HB2 LEU 13 HB2 LEU 13 24.197 8.408 -5.300 118 HB3 LEU 13 HB1 LEU 13 25.775 8.753 -6.108 119 HG LEU 13 HG LEU 13 25.029 6.616 -4.076 120 HD11 LEU 13 HD11 LEU 13 25.632 5.034 -5.949 121 HD12 LEU 13 HD12 LEU 13 25.864 6.454 -7.033 122 HD13 LEU 13 HD13 LEU 13 24.243 6.131 -6.294 123 HD21 LEU 13 HD21 LEU 13 27.223 6.923 -3.301 124 HD22 LEU 13 HD22 LEU 13 27.876 7.419 -4.921 125 HD23 LEU 13 HD23 LEU 13 27.489 5.687 -4.589 126 H GLN 14 HN GLN 14 23.332 9.728 -3.083 127 HA GLN 14 HA GLN 14 22.617 12.085 -4.693 128 HB2 GLN 14 HB2 GLN 14 20.964 9.970 -3.181 129 HB3 GLN 14 HB1 GLN 14 20.217 11.451 -3.921 130 HG2 GLN 14 HG2 GLN 14 21.213 10.692 -6.193 131 HG3 GLN 14 HG1 GLN 14 21.728 9.158 -5.375 132 HE21 GLN 14 HE21 GLN 14 20.099 8.675 -7.437 133 HE22 GLN 14 HE22 GLN 14 18.471 8.324 -6.957 134 H ARG 15 HN ARG 15 23.969 11.607 -1.571 135 HA ARG 15 HA ARG 15 22.328 13.572 -0.178 136 HB2 ARG 15 HB2 ARG 15 25.187 12.525 0.487 137 HB3 ARG 15 HB1 ARG 15 24.241 13.638 1.545 138 HG2 ARG 15 HG2 ARG 15 22.522 11.909 1.909 139 HG3 ARG 15 HG1 ARG 15 23.318 10.847 0.724 140 HD2 ARG 15 HD2 ARG 15 23.905 9.945 2.946 141 HD3 ARG 15 HD1 ARG 15 25.393 10.765 2.289 142 HE ARG 15 HE ARG 15 23.927 12.733 3.806 143 HH11 ARG 15 HH11 ARG 15 25.724 9.650 4.379 144 HH12 ARG 15 HH12 ARG 15 26.188 10.072 5.994 145 HH21 ARG 15 HH21 ARG 15 24.583 13.243 5.995 146 HH22 ARG 15 HH22 ARG 15 25.534 12.128 6.917 147 H LYS 16 HN LYS 16 25.469 13.268 -1.768 148 HA LYS 16 HA LYS 16 25.460 16.167 -2.329 149 HB2 LYS 16 HB2 LYS 16 27.750 14.126 -2.123 150 HB3 LYS 16 HB1 LYS 16 27.958 15.763 -2.862 151 HG2 LYS 16 HG2 LYS 16 27.297 16.859 -0.757 152 HG3 LYS 16 HG1 LYS 16 26.942 15.272 0.013 153 HD2 LYS 16 HD2 LYS 16 29.310 14.599 -0.224 154 HD3 LYS 16 HD1 LYS 16 29.701 16.148 -1.040 155 HE2 LYS 16 HE2 LYS 16 28.609 15.971 1.866 156 HE3 LYS 16 HE1 LYS 16 30.368 16.043 1.449 157 HZ1 LYS 16 HZ1 LYS 16 30.194 18.189 0.768 158 HZ2 LYS 16 HZ2 LYS 16 29.022 18.174 1.997 159 HZ3 LYS 16 HZ3 LYS 16 28.546 18.092 0.369 160 H LYS 17 HN LYS 17 23.897 15.807 -3.865 161 HA LYS 17 HA LYS 17 23.849 14.065 -5.979 162 HB2 LYS 17 HB2 LYS 17 23.015 17.044 -6.069 163 HB3 LYS 17 HB1 LYS 17 22.384 15.726 -7.127 164 HG2 LYS 17 HG2 LYS 17 21.388 14.591 -5.117 165 HG3 LYS 17 HG1 LYS 17 22.019 15.909 -4.059 166 HD2 LYS 17 HD2 LYS 17 20.622 17.582 -5.333 167 HD3 LYS 17 HD1 LYS 17 19.978 16.256 -6.365 168 HE2 LYS 17 HE2 LYS 17 18.936 15.172 -4.338 169 HE3 LYS 17 HE1 LYS 17 19.599 16.495 -3.290 170 HZ1 LYS 17 HZ1 LYS 17 17.402 16.534 -5.224 171 HZ2 LYS 17 HZ2 LYS 17 18.338 17.945 -5.077 172 HZ3 LYS 17 HZ3 LYS 17 17.560 17.294 -3.715 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 28.836 -9.466 -1.758 2 H2 GLU 1 HT2 GLU 1 29.546 -10.277 -0.446 3 H3 GLU 1 HT3 GLU 1 29.870 -10.784 -2.035 4 HA GLU 1 HA GLU 1 31.736 -9.618 -1.256 5 HB2 GLU 1 HB2 GLU 1 29.995 -8.008 -3.237 6 HB3 GLU 1 HB1 GLU 1 31.678 -7.495 -2.838 7 HG2 GLU 1 HG2 GLU 1 32.572 -9.710 -3.669 8 HG3 GLU 1 HG1 GLU 1 30.892 -10.237 -4.075 9 H MET 2 HN MET 2 29.024 -7.122 -1.314 10 HA MET 2 HA MET 2 30.091 -6.119 1.249 11 HB2 MET 2 HB2 MET 2 28.775 -4.289 -0.857 12 HB3 MET 2 HB1 MET 2 29.570 -3.796 0.683 13 HG2 MET 2 HG2 MET 2 31.280 -3.260 -0.752 14 HG3 MET 2 HG1 MET 2 31.739 -4.966 -0.457 15 HE1 MET 2 HE1 MET 2 33.281 -4.970 -2.482 16 HE2 MET 2 HE2 MET 2 32.872 -3.246 -2.789 17 HE3 MET 2 HE3 MET 2 32.838 -4.431 -4.139 18 H ARG 3 HN ARG 3 28.331 -4.532 2.202 19 HA ARG 3 HA ARG 3 25.752 -5.918 2.092 20 HB2 ARG 3 HB2 ARG 3 27.419 -6.636 3.989 21 HB3 ARG 3 HB1 ARG 3 27.227 -4.972 4.619 22 HG2 ARG 3 HG2 ARG 3 24.599 -6.341 4.168 23 HG3 ARG 3 HG1 ARG 3 25.670 -7.273 5.262 24 HD2 ARG 3 HD2 ARG 3 25.274 -4.233 5.735 25 HD3 ARG 3 HD1 ARG 3 24.017 -5.431 6.302 26 HE ARG 3 HE ARG 3 26.554 -6.416 7.191 27 HH11 ARG 3 HH11 ARG 3 24.477 -3.519 7.779 28 HH12 ARG 3 HH12 ARG 3 25.058 -3.272 9.392 29 HH21 ARG 3 HH21 ARG 3 27.302 -6.031 9.371 30 HH22 ARG 3 HH22 ARG 3 26.676 -4.710 10.301 31 H LEU 4 HN LEU 4 27.661 -3.047 2.748 32 HA LEU 4 HA LEU 4 25.312 -1.399 3.165 33 HB2 LEU 4 HB2 LEU 4 26.595 0.068 4.444 34 HB3 LEU 4 HB1 LEU 4 27.164 -1.572 4.902 35 HG LEU 4 HG LEU 4 29.072 -0.113 4.850 36 HD11 LEU 4 HD11 LEU 4 30.647 -1.246 3.425 37 HD12 LEU 4 HD12 LEU 4 29.370 -1.713 2.238 38 HD13 LEU 4 HD13 LEU 4 29.390 -2.459 3.886 39 HD21 LEU 4 HD21 LEU 4 29.125 0.663 1.948 40 HD22 LEU 4 HD22 LEU 4 29.500 1.626 3.428 41 HD23 LEU 4 HD23 LEU 4 27.790 1.404 2.898 42 H SER 5 HN SER 5 27.429 -2.182 0.687 43 HA SER 5 HA SER 5 27.831 0.455 -0.240 44 HB2 SER 5 HB2 SER 5 29.445 -1.539 -0.664 45 HB3 SER 5 HB1 SER 5 28.311 -2.036 -1.972 46 HG SER 5 HG SER 5 28.965 0.619 -2.050 47 H LYS 6 HN LYS 6 25.173 -1.595 -0.399 48 HA LYS 6 HA LYS 6 24.248 -0.439 -2.919 49 HB2 LYS 6 HB2 LYS 6 22.511 -1.932 -2.830 50 HB3 LYS 6 HB1 LYS 6 23.786 -2.825 -1.945 51 HG2 LYS 6 HG2 LYS 6 21.683 -1.087 -0.490 52 HG3 LYS 6 HG1 LYS 6 21.350 -2.801 -0.920 53 HD2 LYS 6 HD2 LYS 6 23.190 -3.578 0.556 54 HD3 LYS 6 HD1 LYS 6 23.763 -1.892 0.842 55 HE2 LYS 6 HE2 LYS 6 22.534 -2.460 2.829 56 HE3 LYS 6 HE1 LYS 6 21.391 -1.428 1.886 57 HZ1 LYS 6 HZ1 LYS 6 20.533 -3.581 2.922 58 HZ2 LYS 6 HZ2 LYS 6 21.319 -4.387 1.651 59 HZ3 LYS 6 HZ3 LYS 6 20.105 -3.250 1.313 60 H PHE 7 HN PHE 7 24.371 0.482 0.339 61 HA PHE 7 HA PHE 7 21.815 1.859 0.350 62 HB2 PHE 7 HB2 PHE 7 21.672 1.305 2.645 63 HB3 PHE 7 HB1 PHE 7 23.222 0.369 2.466 64 HD1 PHE 7 HD1 PHE 7 21.797 3.668 3.382 65 HD2 PHE 7 HD2 PHE 7 25.155 1.220 3.113 66 HE1 PHE 7 HE1 PHE 7 23.216 5.541 3.743 67 HE2 PHE 7 HE2 PHE 7 26.578 3.010 3.488 68 HZ PHE 7 HZ PHE 7 25.589 5.185 3.733 69 H PHE 8 HN PHE 8 25.208 1.798 0.226 70 HA PHE 8 HA PHE 8 25.281 4.579 0.645 71 HB2 PHE 8 HB2 PHE 8 27.290 3.882 1.394 72 HB3 PHE 8 HB1 PHE 8 27.111 2.285 0.590 73 HD1 PHE 8 HD1 PHE 8 28.819 5.497 0.503 74 HD2 PHE 8 HD2 PHE 8 27.580 2.192 -1.808 75 HE1 PHE 8 HE1 PHE 8 30.138 6.234 -1.394 76 HE2 PHE 8 HE2 PHE 8 28.812 2.894 -3.597 77 HZ PHE 8 HZ PHE 8 30.091 4.910 -3.421 78 H ARG 9 HN ARG 9 24.581 2.379 -1.672 79 HA ARG 9 HA ARG 9 25.262 4.264 -3.679 80 HB2 ARG 9 HB2 ARG 9 24.385 1.400 -3.853 81 HB3 ARG 9 HB1 ARG 9 24.014 2.415 -5.283 82 HG2 ARG 9 HG2 ARG 9 26.432 2.919 -5.552 83 HG3 ARG 9 HG1 ARG 9 26.795 1.953 -4.083 84 HD2 ARG 9 HD2 ARG 9 25.989 -0.145 -5.179 85 HD3 ARG 9 HD1 ARG 9 25.476 0.803 -6.653 86 HE ARG 9 HE ARG 9 28.244 1.380 -6.182 87 HH11 ARG 9 HH11 ARG 9 26.209 -1.459 -7.106 88 HH12 ARG 9 HH12 ARG 9 27.462 -2.223 -8.027 89 HH21 ARG 9 HH21 ARG 9 29.900 0.299 -7.444 90 HH22 ARG 9 HH22 ARG 9 29.574 -1.216 -8.219 91 H ASP 10 HN ASP 10 22.847 3.823 -1.628 92 HA ASP 10 HA ASP 10 20.743 4.290 -3.485 93 HB2 ASP 10 HB2 ASP 10 21.148 3.814 -0.562 94 HB3 ASP 10 HB1 ASP 10 19.619 4.603 -1.084 95 H PHE 11 HN PHE 11 22.508 5.553 -0.962 96 HA PHE 11 HA PHE 11 20.908 7.988 -1.478 97 HB2 PHE 11 HB2 PHE 11 22.217 7.038 1.006 98 HB3 PHE 11 HB1 PHE 11 21.179 8.545 0.960 99 HD1 PHE 11 HD1 PHE 11 21.558 5.451 1.926 100 HD2 PHE 11 HD2 PHE 11 18.570 7.726 0.017 101 HE1 PHE 11 HE1 PHE 11 20.062 3.827 2.500 102 HE2 PHE 11 HE2 PHE 11 16.925 6.040 0.675 103 HZ PHE 11 HZ PHE 11 17.627 4.053 1.960 104 H ILE 12 HN ILE 12 24.037 6.830 -0.745 105 HA ILE 12 HA ILE 12 24.923 9.225 0.216 106 HB ILE 12 HB ILE 12 26.199 6.785 -0.729 107 HG12 ILE 12 HG12 ILE 12 26.186 6.045 1.347 108 HG13 ILE 12 HG11 ILE 12 26.625 7.597 2.113 109 HG21 ILE 12 HG21 ILE 12 28.436 7.701 0.375 110 HG22 ILE 12 HG22 ILE 12 27.730 9.333 0.121 111 HG23 ILE 12 HG23 ILE 12 28.017 8.239 -1.295 112 HD11 ILE 12 HD11 ILE 12 24.516 7.052 2.940 113 HD12 ILE 12 HD12 ILE 12 23.982 6.322 1.355 114 HD13 ILE 12 HD13 ILE 12 24.069 8.122 1.588 115 H LEU 13 HN LEU 13 25.065 7.854 -2.817 116 HA LEU 13 HA LEU 13 26.708 9.686 -4.160 117 HB2 LEU 13 HB2 LEU 13 24.247 8.357 -5.338 118 HB3 LEU 13 HB1 LEU 13 25.810 8.708 -6.171 119 HG LEU 13 HG LEU 13 25.102 6.573 -4.127 120 HD11 LEU 13 HD11 LEU 13 25.712 4.985 -5.987 121 HD12 LEU 13 HD12 LEU 13 25.944 6.400 -7.081 122 HD13 LEU 13 HD13 LEU 13 24.321 6.076 -6.346 123 HD21 LEU 13 HD21 LEU 13 27.940 7.405 -4.959 124 HD22 LEU 13 HD22 LEU 13 27.573 5.666 -4.642 125 HD23 LEU 13 HD23 LEU 13 27.286 6.890 -3.347 126 H GLN 14 HN GLN 14 23.370 9.698 -3.208 127 HA GLN 14 HA GLN 14 22.684 12.039 -4.835 128 HB2 GLN 14 HB2 GLN 14 21.027 9.972 -3.272 129 HB3 GLN 14 HB1 GLN 14 20.280 11.450 -4.014 130 HG2 GLN 14 HG2 GLN 14 21.226 10.653 -6.295 131 HG3 GLN 14 HG1 GLN 14 21.741 9.126 -5.466 132 HE21 GLN 14 HE21 GLN 14 20.036 8.711 -7.524 133 HE22 GLN 14 HE22 GLN 14 18.426 8.359 -6.994 134 H ARG 15 HN ARG 15 23.996 11.641 -1.653 135 HA ARG 15 HA ARG 15 22.294 13.572 -0.296 136 HB2 ARG 15 HB2 ARG 15 25.160 12.611 0.432 137 HB3 ARG 15 HB1 ARG 15 24.140 13.671 1.475 138 HG2 ARG 15 HG2 ARG 15 22.457 11.868 1.710 139 HG3 ARG 15 HG1 ARG 15 23.388 10.858 0.579 140 HD2 ARG 15 HD2 ARG 15 23.886 9.971 2.827 141 HD3 ARG 15 HD1 ARG 15 25.358 10.899 2.280 142 HE ARG 15 HE ARG 15 23.680 12.762 3.690 143 HH11 ARG 15 HH11 ARG 15 25.558 9.762 4.426 144 HH12 ARG 15 HH12 ARG 15 25.849 10.197 6.077 145 HH21 ARG 15 HH21 ARG 15 24.102 13.290 5.931 146 HH22 ARG 15 HH22 ARG 15 25.015 12.215 6.936 147 H LYS 16 HN LYS 16 25.466 13.429 -1.893 148 HA LYS 16 HA LYS 16 25.775 16.343 -1.830 149 HB2 LYS 16 HB2 LYS 16 27.589 14.148 -2.985 150 HB3 LYS 16 HB1 LYS 16 28.004 15.906 -2.924 151 HG2 LYS 16 HG2 LYS 16 27.844 15.845 -0.414 152 HG3 LYS 16 HG1 LYS 16 27.476 14.084 -0.493 153 HD2 LYS 16 HD2 LYS 16 29.663 13.664 -1.606 154 HD3 LYS 16 HD1 LYS 16 30.038 15.422 -1.556 155 HE2 LYS 16 HE2 LYS 16 30.032 15.353 0.974 156 HE3 LYS 16 HE1 LYS 16 29.652 13.581 0.919 157 HZ1 LYS 16 HZ1 LYS 16 32.058 14.829 -0.318 158 HZ2 LYS 16 HZ2 LYS 16 31.723 13.174 -0.136 159 HZ3 LYS 16 HZ3 LYS 16 32.015 14.136 1.233 160 H LYS 17 HN LYS 17 24.019 14.274 -3.611 161 HA LYS 17 HA LYS 17 22.916 14.327 -5.437 162 HB2 LYS 17 HB2 LYS 17 24.048 17.130 -6.037 163 HB3 LYS 17 HB1 LYS 17 22.675 16.354 -6.909 164 HG2 LYS 17 HG2 LYS 17 21.349 16.266 -4.781 165 HG3 LYS 17 HG1 LYS 17 22.722 17.014 -3.881 166 HD2 LYS 17 HD2 LYS 17 22.543 19.054 -5.311 167 HD3 LYS 17 HD1 LYS 17 21.174 18.317 -6.213 168 HE2 LYS 17 HE2 LYS 17 19.796 18.277 -4.093 169 HE3 LYS 17 HE1 LYS 17 21.181 19.010 -3.183 170 HZ1 LYS 17 HZ1 LYS 17 20.053 20.852 -3.708 171 HZ2 LYS 17 HZ2 LYS 17 19.337 20.206 -5.105 172 HZ3 LYS 17 HZ3 LYS 17 20.945 20.750 -5.149 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 28.329 -8.781 -3.714 2 H2 GLU 1 HT2 GLU 1 27.668 -8.236 -2.247 3 H3 GLU 1 HT3 GLU 1 28.991 -9.302 -2.238 4 HA GLU 1 HA GLU 1 30.485 -7.741 -2.651 5 HB2 GLU 1 HB2 GLU 1 28.275 -6.287 -4.260 6 HB3 GLU 1 HB1 GLU 1 29.899 -5.553 -3.973 7 HG2 GLU 1 HG2 GLU 1 31.005 -7.494 -5.163 8 HG3 GLU 1 HG1 GLU 1 29.383 -8.236 -5.459 9 H MET 2 HN MET 2 30.743 -7.326 -0.473 10 HA MET 2 HA MET 2 30.705 -6.320 1.453 11 HB2 MET 2 HB2 MET 2 29.474 -3.826 0.089 12 HB3 MET 2 HB1 MET 2 30.236 -3.852 1.729 13 HG2 MET 2 HG2 MET 2 32.404 -4.705 0.608 14 HG3 MET 2 HG1 MET 2 31.631 -4.373 -0.975 15 HE1 MET 2 HE1 MET 2 34.355 -1.612 -0.721 16 HE2 MET 2 HE2 MET 2 33.652 -2.971 -1.665 17 HE3 MET 2 HE3 MET 2 34.431 -3.289 -0.077 18 H ARG 3 HN ARG 3 28.377 -4.157 2.100 19 HA ARG 3 HA ARG 3 26.216 -5.986 2.415 20 HB2 ARG 3 HB2 ARG 3 27.998 -6.288 4.379 21 HB3 ARG 3 HB1 ARG 3 27.392 -4.701 4.937 22 HG2 ARG 3 HG2 ARG 3 25.294 -6.839 4.393 23 HG3 ARG 3 HG1 ARG 3 26.420 -7.154 5.757 24 HD2 ARG 3 HD2 ARG 3 25.785 -4.973 6.838 25 HD3 ARG 3 HD1 ARG 3 24.693 -4.581 5.437 26 HE ARG 3 HE ARG 3 23.989 -7.182 6.550 27 HH11 ARG 3 HH11 ARG 3 23.739 -3.653 7.287 28 HH12 ARG 3 HH12 ARG 3 22.316 -3.827 8.260 29 HH21 ARG 3 HH21 ARG 3 22.072 -7.354 7.872 30 HH22 ARG 3 HH22 ARG 3 21.364 -5.949 8.596 31 H LEU 4 HN LEU 4 27.663 -2.901 3.140 32 HA LEU 4 HA LEU 4 25.090 -1.573 3.289 33 HB2 LEU 4 HB2 LEU 4 26.229 0.081 4.575 34 HB3 LEU 4 HB1 LEU 4 26.704 -1.545 5.185 35 HG LEU 4 HG LEU 4 28.716 -1.152 3.331 36 HD11 LEU 4 HD11 LEU 4 27.827 1.111 2.738 37 HD12 LEU 4 HD12 LEU 4 29.530 1.154 3.358 38 HD13 LEU 4 HD13 LEU 4 28.164 1.670 4.424 39 HD21 LEU 4 HD21 LEU 4 30.180 -0.623 5.257 40 HD22 LEU 4 HD22 LEU 4 28.984 -1.934 5.621 41 HD23 LEU 4 HD23 LEU 4 28.724 -0.260 6.269 42 H SER 5 HN SER 5 27.548 -2.105 1.055 43 HA SER 5 HA SER 5 27.879 0.513 0.153 44 HB2 SER 5 HB2 SER 5 29.531 -1.484 -0.156 45 HB3 SER 5 HB1 SER 5 28.527 -1.942 -1.574 46 HG SER 5 HG SER 5 29.117 0.700 -1.584 47 H LYS 6 HN LYS 6 25.338 -1.622 -0.184 48 HA LYS 6 HA LYS 6 24.522 -0.531 -2.780 49 HB2 LYS 6 HB2 LYS 6 22.824 -2.082 -2.761 50 HB3 LYS 6 HB1 LYS 6 24.096 -2.915 -1.816 51 HG2 LYS 6 HG2 LYS 6 21.850 -1.271 -0.466 52 HG3 LYS 6 HG1 LYS 6 21.625 -3.003 -0.892 53 HD2 LYS 6 HD2 LYS 6 23.472 -3.654 0.656 54 HD3 LYS 6 HD1 LYS 6 23.884 -1.933 0.975 55 HE2 LYS 6 HE2 LYS 6 22.619 -2.651 2.900 56 HE3 LYS 6 HE1 LYS 6 21.463 -1.658 1.930 57 HZ1 LYS 6 HZ1 LYS 6 20.615 -3.781 0.993 58 HZ2 LYS 6 HZ2 LYS 6 20.372 -3.610 2.664 59 HZ3 LYS 6 HZ3 LYS 6 21.597 -4.633 2.085 60 H PHE 7 HN PHE 7 24.358 0.418 0.476 61 HA PHE 7 HA PHE 7 21.767 1.713 0.281 62 HB2 PHE 7 HB2 PHE 7 21.476 1.162 2.567 63 HB3 PHE 7 HB1 PHE 7 23.063 0.276 2.498 64 HD1 PHE 7 HD1 PHE 7 21.490 3.545 3.282 65 HD2 PHE 7 HD2 PHE 7 24.905 1.168 3.298 66 HE1 PHE 7 HE1 PHE 7 22.832 5.446 3.747 67 HE2 PHE 7 HE2 PHE 7 26.265 2.980 3.784 68 HZ PHE 7 HZ PHE 7 25.205 5.150 3.931 69 H PHE 8 HN PHE 8 25.153 1.760 0.432 70 HA PHE 8 HA PHE 8 25.108 4.539 0.836 71 HB2 PHE 8 HB2 PHE 8 27.045 3.881 1.770 72 HB3 PHE 8 HB1 PHE 8 26.981 2.285 0.952 73 HD1 PHE 8 HD1 PHE 8 28.649 5.498 1.084 74 HD2 PHE 8 HD2 PHE 8 27.647 2.249 -1.414 75 HE1 PHE 8 HE1 PHE 8 30.160 6.263 -0.650 76 HE2 PHE 8 HE2 PHE 8 29.051 2.977 -3.048 77 HZ PHE 8 HZ PHE 8 30.318 4.973 -2.690 78 H ARG 9 HN ARG 9 24.680 2.305 -1.517 79 HA ARG 9 HA ARG 9 25.469 4.201 -3.471 80 HB2 ARG 9 HB2 ARG 9 24.699 1.313 -3.713 81 HB3 ARG 9 HB1 ARG 9 24.426 2.321 -5.171 82 HG2 ARG 9 HG2 ARG 9 26.831 2.897 -5.239 83 HG3 ARG 9 HG1 ARG 9 27.106 1.976 -3.725 84 HD2 ARG 9 HD2 ARG 9 26.473 -0.175 -4.850 85 HD3 ARG 9 HD1 ARG 9 26.085 0.733 -6.388 86 HE ARG 9 HE ARG 9 28.754 1.440 -5.657 87 HH11 ARG 9 HH11 ARG 9 26.968 -1.533 -6.659 88 HH12 ARG 9 HH12 ARG 9 28.351 -2.272 -7.396 89 HH21 ARG 9 HH21 ARG 9 30.587 0.395 -6.668 90 HH22 ARG 9 HH22 ARG 9 30.422 -1.166 -7.401 91 H ASP 10 HN ASP 10 22.912 3.693 -1.625 92 HA ASP 10 HA ASP 10 20.953 4.089 -3.645 93 HB2 ASP 10 HB2 ASP 10 21.137 3.649 -0.696 94 HB3 ASP 10 HB1 ASP 10 19.636 4.395 -1.344 95 H PHE 11 HN PHE 11 22.479 5.420 -1.007 96 HA PHE 11 HA PHE 11 20.867 7.811 -1.673 97 HB2 PHE 11 HB2 PHE 11 21.991 6.924 0.922 98 HB3 PHE 11 HB1 PHE 11 20.917 8.397 0.767 99 HD1 PHE 11 HD1 PHE 11 21.310 5.325 1.812 100 HD2 PHE 11 HD2 PHE 11 18.423 7.485 -0.371 101 HE1 PHE 11 HE1 PHE 11 19.815 3.662 2.284 102 HE2 PHE 11 HE2 PHE 11 16.781 5.757 0.171 103 HZ PHE 11 HZ PHE 11 17.430 3.809 1.539 104 H ILE 12 HN ILE 12 23.954 6.736 -0.669 105 HA ILE 12 HA ILE 12 24.695 9.164 0.333 106 HB ILE 12 HB ILE 12 26.104 6.748 -0.475 107 HG12 ILE 12 HG12 ILE 12 25.949 6.030 1.604 108 HG13 ILE 12 HG11 ILE 12 26.270 7.605 2.381 109 HG21 ILE 12 HG21 ILE 12 28.221 7.723 0.797 110 HG22 ILE 12 HG22 ILE 12 27.504 9.337 0.465 111 HG23 ILE 12 HG23 ILE 12 27.929 8.232 -0.911 112 HD11 ILE 12 HD11 ILE 12 23.741 6.236 1.417 113 HD12 ILE 12 HD12 ILE 12 23.755 8.043 1.647 114 HD13 ILE 12 HD13 ILE 12 24.109 6.989 3.029 115 H LEU 13 HN LEU 13 25.136 7.764 -2.662 116 HA LEU 13 HA LEU 13 26.836 9.635 -3.877 117 HB2 LEU 13 HB2 LEU 13 24.534 8.246 -5.272 118 HB3 LEU 13 HB1 LEU 13 26.170 8.616 -5.942 119 HG LEU 13 HG LEU 13 25.289 6.487 -3.959 120 HD11 LEU 13 HD11 LEU 13 26.386 6.315 -6.827 121 HD12 LEU 13 HD12 LEU 13 24.713 5.964 -6.232 122 HD13 LEU 13 HD13 LEU 13 26.085 4.899 -5.751 123 HD21 LEU 13 HD21 LEU 13 27.799 5.600 -4.231 124 HD22 LEU 13 HD22 LEU 13 27.399 6.849 -2.994 125 HD23 LEU 13 HD23 LEU 13 28.185 7.337 -4.556 126 H GLN 14 HN GLN 14 23.430 9.553 -3.218 127 HA GLN 14 HA GLN 14 22.835 11.864 -4.924 128 HB2 GLN 14 HB2 GLN 14 21.092 9.755 -3.520 129 HB3 GLN 14 HB1 GLN 14 20.385 11.211 -4.346 130 HG2 GLN 14 HG2 GLN 14 21.619 10.440 -6.503 131 HG3 GLN 14 HG1 GLN 14 22.053 8.920 -5.617 132 HE21 GLN 14 HE21 GLN 14 20.642 8.422 -7.835 133 HE22 GLN 14 HE22 GLN 14 18.977 8.059 -7.517 134 H ARG 15 HN ARG 15 23.830 11.434 -1.641 135 HA ARG 15 HA ARG 15 22.080 13.435 -0.464 136 HB2 ARG 15 HB2 ARG 15 24.863 12.405 0.487 137 HB3 ARG 15 HB1 ARG 15 23.827 13.541 1.428 138 HG2 ARG 15 HG2 ARG 15 22.075 11.820 1.663 139 HG3 ARG 15 HG1 ARG 15 22.984 10.730 0.588 140 HD2 ARG 15 HD2 ARG 15 23.354 9.892 2.881 141 HD3 ARG 15 HD1 ARG 15 24.897 10.695 2.345 142 HE ARG 15 HE ARG 15 23.288 12.697 3.665 143 HH11 ARG 15 HH11 ARG 15 25.052 9.653 4.481 144 HH12 ARG 15 HH12 ARG 15 25.371 10.123 6.117 145 HH21 ARG 15 HH21 ARG 15 23.744 13.277 5.887 146 HH22 ARG 15 HH22 ARG 15 24.621 12.198 6.920 147 H LYS 16 HN LYS 16 25.349 13.095 -1.752 148 HA LYS 16 HA LYS 16 25.492 15.995 -2.301 149 HB2 LYS 16 HB2 LYS 16 27.669 13.839 -2.010 150 HB3 LYS 16 HB1 LYS 16 27.989 15.511 -2.622 151 HG2 LYS 16 HG2 LYS 16 27.146 16.480 -0.492 152 HG3 LYS 16 HG1 LYS 16 26.779 14.834 0.137 153 HD2 LYS 16 HD2 LYS 16 29.178 14.219 -0.037 154 HD3 LYS 16 HD1 LYS 16 29.566 15.855 -0.679 155 HE2 LYS 16 HE2 LYS 16 28.809 16.892 1.503 156 HE3 LYS 16 HE1 LYS 16 28.420 15.241 2.146 157 HZ1 LYS 16 HZ1 LYS 16 30.493 15.166 2.810 158 HZ2 LYS 16 HZ2 LYS 16 30.906 16.603 2.004 159 HZ3 LYS 16 HZ3 LYS 16 31.007 15.114 1.192 160 H LYS 17 HN LYS 17 23.898 15.463 -3.924 161 HA LYS 17 HA LYS 17 24.403 13.739 -6.083 162 HB2 LYS 17 HB2 LYS 17 22.580 15.196 -7.272 163 HB3 LYS 17 HB1 LYS 17 22.122 14.267 -5.806 164 HG2 LYS 17 HG2 LYS 17 22.378 16.314 -4.388 165 HG3 LYS 17 HG1 LYS 17 22.883 17.260 -5.833 166 HD2 LYS 17 HD2 LYS 17 20.639 16.861 -6.882 167 HD3 LYS 17 HD1 LYS 17 20.138 15.885 -5.450 168 HE2 LYS 17 HE2 LYS 17 20.426 17.891 -3.972 169 HE3 LYS 17 HE1 LYS 17 20.944 18.875 -5.400 170 HZ1 LYS 17 HZ1 LYS 17 18.510 18.914 -4.594 171 HZ2 LYS 17 HZ2 LYS 17 18.358 17.447 -5.437 172 HZ3 LYS 17 HZ3 LYS 17 18.839 18.852 -6.260 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 29.458 -10.776 -2.059 2 H2 GLU 1 HT2 GLU 1 28.577 -9.403 -2.527 3 H3 GLU 1 HT3 GLU 1 28.824 -9.732 -0.880 4 HA GLU 1 HA GLU 1 31.325 -9.689 -1.772 5 HB2 GLU 1 HB2 GLU 1 29.668 -7.642 -3.391 6 HB3 GLU 1 HB1 GLU 1 31.429 -7.398 -3.082 7 HG2 GLU 1 HG2 GLU 1 31.958 -9.572 -4.255 8 HG3 GLU 1 HG1 GLU 1 30.198 -9.835 -4.569 9 H MET 2 HN MET 2 28.910 -6.950 -1.321 10 HA MET 2 HA MET 2 30.305 -6.313 1.206 11 HB2 MET 2 HB2 MET 2 28.769 -4.206 -0.440 12 HB3 MET 2 HB1 MET 2 29.917 -3.937 0.922 13 HG2 MET 2 HG2 MET 2 31.345 -3.376 -0.791 14 HG3 MET 2 HG1 MET 2 31.675 -5.133 -0.786 15 HE1 MET 2 HE1 MET 2 32.016 -4.253 -4.543 16 HE2 MET 2 HE2 MET 2 32.728 -5.046 -3.097 17 HE3 MET 2 HE3 MET 2 32.479 -3.266 -3.113 18 H ARG 3 HN ARG 3 28.338 -4.392 2.094 19 HA ARG 3 HA ARG 3 25.966 -6.022 2.323 20 HB2 ARG 3 HB2 ARG 3 27.779 -6.447 4.202 21 HB3 ARG 3 HB1 ARG 3 27.345 -4.808 4.769 22 HG2 ARG 3 HG2 ARG 3 24.974 -6.629 4.371 23 HG3 ARG 3 HG1 ARG 3 26.172 -7.244 5.562 24 HD2 ARG 3 HD2 ARG 3 26.029 -5.064 6.849 25 HD3 ARG 3 HD1 ARG 3 24.809 -4.443 5.649 26 HE ARG 3 HE ARG 3 23.835 -6.966 6.603 27 HH11 ARG 3 HH11 ARG 3 24.554 -3.702 7.978 28 HH12 ARG 3 HH12 ARG 3 23.361 -3.824 9.227 29 HH21 ARG 3 HH21 ARG 3 22.242 -7.072 8.312 30 HH22 ARG 3 HH22 ARG 3 22.039 -5.754 9.418 31 H LEU 4 HN LEU 4 27.609 -3.017 2.938 32 HA LEU 4 HA LEU 4 25.122 -1.555 3.200 33 HB2 LEU 4 HB2 LEU 4 26.393 0.038 4.416 34 HB3 LEU 4 HB1 LEU 4 26.836 -1.605 5.003 35 HG LEU 4 HG LEU 4 28.759 -1.288 3.041 36 HD11 LEU 4 HD11 LEU 4 29.651 0.972 2.996 37 HD12 LEU 4 HD12 LEU 4 28.416 1.545 4.189 38 HD13 LEU 4 HD13 LEU 4 27.898 1.025 2.535 39 HD21 LEU 4 HD21 LEU 4 28.969 -0.418 5.979 40 HD22 LEU 4 HD22 LEU 4 30.348 -0.839 4.886 41 HD23 LEU 4 HD23 LEU 4 29.114 -2.098 5.313 42 H SER 5 HN SER 5 27.428 -2.219 0.821 43 HA SER 5 HA SER 5 27.789 0.419 -0.061 44 HB2 SER 5 HB2 SER 5 28.483 -2.194 -1.503 45 HB3 SER 5 HB1 SER 5 28.852 -0.550 -2.157 46 HG SER 5 HG SER 5 29.945 -0.187 -0.129 47 H LYS 6 HN LYS 6 25.167 -1.604 -0.293 48 HA LYS 6 HA LYS 6 24.298 -0.487 -2.859 49 HB2 LYS 6 HB2 LYS 6 22.538 -1.966 -2.764 50 HB3 LYS 6 HB1 LYS 6 23.812 -2.851 -1.870 51 HG2 LYS 6 HG2 LYS 6 21.698 -1.109 -0.429 52 HG3 LYS 6 HG1 LYS 6 21.379 -2.829 -0.842 53 HD2 LYS 6 HD2 LYS 6 23.260 -3.564 0.629 54 HD3 LYS 6 HD1 LYS 6 23.759 -1.861 0.932 55 HE2 LYS 6 HE2 LYS 6 22.546 -2.533 2.905 56 HE3 LYS 6 HE1 LYS 6 21.396 -1.485 1.986 57 HZ1 LYS 6 HZ1 LYS 6 20.192 -3.340 2.695 58 HZ2 LYS 6 HZ2 LYS 6 21.388 -4.451 2.228 59 HZ3 LYS 6 HZ3 LYS 6 20.484 -3.630 1.048 60 H PHE 7 HN PHE 7 24.323 0.462 0.400 61 HA PHE 7 HA PHE 7 21.785 1.869 0.325 62 HB2 PHE 7 HB2 PHE 7 21.573 1.328 2.622 63 HB3 PHE 7 HB1 PHE 7 23.114 0.369 2.483 64 HD1 PHE 7 HD1 PHE 7 21.728 3.703 3.348 65 HD2 PHE 7 HD2 PHE 7 25.031 1.178 3.186 66 HE1 PHE 7 HE1 PHE 7 23.175 5.545 3.746 67 HE2 PHE 7 HE2 PHE 7 26.492 2.927 3.606 68 HZ PHE 7 HZ PHE 7 25.539 5.142 3.815 69 H PHE 8 HN PHE 8 25.174 1.769 0.321 70 HA PHE 8 HA PHE 8 25.266 4.549 0.724 71 HB2 PHE 8 HB2 PHE 8 27.217 3.810 1.568 72 HB3 PHE 8 HB1 PHE 8 27.046 2.218 0.758 73 HD1 PHE 8 HD1 PHE 8 28.857 5.351 0.809 74 HD2 PHE 8 HD2 PHE 8 27.598 2.156 -1.645 75 HE1 PHE 8 HE1 PHE 8 30.318 6.054 -0.991 76 HE2 PHE 8 HE2 PHE 8 28.956 2.829 -3.341 77 HZ PHE 8 HZ PHE 8 30.323 4.767 -3.040 78 H ARG 9 HN ARG 9 24.634 2.344 -1.609 79 HA ARG 9 HA ARG 9 25.417 4.212 -3.591 80 HB2 ARG 9 HB2 ARG 9 24.527 1.359 -3.790 81 HB3 ARG 9 HB1 ARG 9 24.206 2.371 -5.233 82 HG2 ARG 9 HG2 ARG 9 26.635 2.881 -5.412 83 HG3 ARG 9 HG1 ARG 9 26.947 1.906 -3.940 84 HD2 ARG 9 HD2 ARG 9 26.184 -0.186 -5.081 85 HD3 ARG 9 HD1 ARG 9 25.724 0.773 -6.566 86 HE ARG 9 HE ARG 9 28.488 1.319 -5.923 87 HH11 ARG 9 HH11 ARG 9 26.435 -1.370 -7.186 88 HH12 ARG 9 HH12 ARG 9 27.714 -2.089 -8.106 89 HH21 ARG 9 HH21 ARG 9 30.179 0.304 -7.189 90 HH22 ARG 9 HH22 ARG 9 29.857 -1.129 -8.106 91 H ASP 10 HN ASP 10 22.925 3.810 -1.635 92 HA ASP 10 HA ASP 10 20.902 4.309 -3.569 93 HB2 ASP 10 HB2 ASP 10 21.192 3.822 -0.633 94 HB3 ASP 10 HB1 ASP 10 19.695 4.635 -1.207 95 H PHE 11 HN PHE 11 22.585 5.542 -0.974 96 HA PHE 11 HA PHE 11 21.044 8.004 -1.542 97 HB2 PHE 11 HB2 PHE 11 22.243 7.037 0.988 98 HB3 PHE 11 HB1 PHE 11 21.222 8.553 0.902 99 HD1 PHE 11 HD1 PHE 11 21.538 5.457 1.882 100 HD2 PHE 11 HD2 PHE 11 18.641 7.757 -0.136 101 HE1 PHE 11 HE1 PHE 11 20.009 3.842 2.398 102 HE2 PHE 11 HE2 PHE 11 16.959 6.082 0.457 103 HZ PHE 11 HZ PHE 11 17.598 4.087 1.765 104 H ILE 12 HN ILE 12 24.131 6.790 -0.721 105 HA ILE 12 HA ILE 12 25.022 9.170 0.276 106 HB ILE 12 HB ILE 12 26.285 6.714 -0.621 107 HG12 ILE 12 HG12 ILE 12 26.192 5.988 1.459 108 HG13 ILE 12 HG11 ILE 12 26.639 7.537 2.226 109 HG21 ILE 12 HG21 ILE 12 28.146 8.124 -1.142 110 HG22 ILE 12 HG22 ILE 12 28.504 7.591 0.546 111 HG23 ILE 12 HG23 ILE 12 27.840 9.235 0.257 112 HD11 ILE 12 HD11 ILE 12 23.990 6.312 1.394 113 HD12 ILE 12 HD12 ILE 12 24.110 8.118 1.640 114 HD13 ILE 12 HD13 ILE 12 24.487 7.029 2.989 115 H LEU 13 HN LEU 13 25.223 7.802 -2.741 116 HA LEU 13 HA LEU 13 26.920 9.615 -4.035 117 HB2 LEU 13 HB2 LEU 13 24.479 8.304 -5.275 118 HB3 LEU 13 HB1 LEU 13 26.061 8.655 -6.073 119 HG LEU 13 HG LEU 13 25.296 6.512 -4.060 120 HD11 LEU 13 HD11 LEU 13 24.587 6.035 -6.312 121 HD12 LEU 13 HD12 LEU 13 25.952 4.929 -5.899 122 HD13 LEU 13 HD13 LEU 13 26.239 6.343 -6.982 123 HD21 LEU 13 HD21 LEU 13 27.777 5.600 -4.495 124 HD22 LEU 13 HD22 LEU 13 27.456 6.821 -3.208 125 HD23 LEU 13 HD23 LEU 13 28.163 7.340 -4.800 126 H GLN 14 HN GLN 14 23.527 9.623 -3.229 127 HA GLN 14 HA GLN 14 22.956 12.013 -4.819 128 HB2 GLN 14 HB2 GLN 14 21.208 9.874 -3.511 129 HB3 GLN 14 HB1 GLN 14 20.490 11.423 -4.118 130 HG2 GLN 14 HG2 GLN 14 21.568 10.892 -6.420 131 HG3 GLN 14 HG1 GLN 14 22.001 9.257 -5.742 132 HE21 GLN 14 HE21 GLN 14 20.603 7.990 -7.063 133 HE22 GLN 14 HE22 GLN 14 18.875 8.074 -6.993 134 H ARG 15 HN ARG 15 24.155 11.651 -1.652 135 HA ARG 15 HA ARG 15 22.298 13.342 -0.267 136 HB2 ARG 15 HB2 ARG 15 25.263 12.723 0.376 137 HB3 ARG 15 HB1 ARG 15 24.209 13.722 1.447 138 HG2 ARG 15 HG2 ARG 15 22.707 11.821 1.832 139 HG3 ARG 15 HG1 ARG 15 23.589 10.861 0.622 140 HD2 ARG 15 HD2 ARG 15 24.286 10.010 2.853 141 HD3 ARG 15 HD1 ARG 15 25.681 10.955 2.140 142 HE ARG 15 HE ARG 15 24.072 12.787 3.702 143 HH11 ARG 15 HH11 ARG 15 26.255 9.950 4.207 144 HH12 ARG 15 HH12 ARG 15 26.753 10.453 5.787 145 HH21 ARG 15 HH21 ARG 15 24.784 13.412 5.841 146 HH22 ARG 15 HH22 ARG 15 25.911 12.433 6.721 147 H LYS 16 HN LYS 16 25.344 13.716 -1.943 148 HA LYS 16 HA LYS 16 25.339 16.601 -1.778 149 HB2 LYS 16 HB2 LYS 16 26.942 14.665 -3.540 150 HB3 LYS 16 HB1 LYS 16 27.189 16.454 -3.512 151 HG2 LYS 16 HG2 LYS 16 27.760 16.329 -1.063 152 HG3 LYS 16 HG1 LYS 16 27.531 14.543 -1.106 153 HD2 LYS 16 HD2 LYS 16 29.353 14.342 -2.793 154 HD3 LYS 16 HD1 LYS 16 29.578 16.126 -2.773 155 HE2 LYS 16 HE2 LYS 16 30.263 16.017 -0.340 156 HE3 LYS 16 HE1 LYS 16 30.031 14.219 -0.359 157 HZ1 LYS 16 HZ1 LYS 16 31.868 13.928 -1.632 158 HZ2 LYS 16 HZ2 LYS 16 32.343 15.307 -0.761 159 HZ3 LYS 16 HZ3 LYS 16 31.797 15.460 -2.361 160 H LYS 17 HN LYS 17 24.915 14.241 -4.465 161 HA LYS 17 HA LYS 17 22.651 15.241 -5.546 162 HB2 LYS 17 HB2 LYS 17 23.631 16.287 -7.786 163 HB3 LYS 17 HB1 LYS 17 23.428 17.343 -6.350 164 HG2 LYS 17 HG2 LYS 17 25.852 17.084 -5.767 165 HG3 LYS 17 HG1 LYS 17 26.078 15.986 -7.181 166 HD2 LYS 17 HD2 LYS 17 25.425 17.840 -8.719 167 HD3 LYS 17 HD1 LYS 17 25.182 18.926 -7.303 168 HE2 LYS 17 HE2 LYS 17 27.603 18.695 -6.696 169 HE3 LYS 17 HE1 LYS 17 27.855 17.588 -8.107 170 HZ1 LYS 17 HZ1 LYS 17 27.784 20.430 -8.009 171 HZ2 LYS 17 HZ2 LYS 17 26.636 19.848 -9.117 172 HZ3 LYS 17 HZ3 LYS 17 28.267 19.395 -9.266 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 31.946 -7.495 -2.734 2 H2 GLU 1 HT2 GLU 1 31.256 -8.200 -4.117 3 H3 GLU 1 HT3 GLU 1 31.840 -9.186 -2.863 4 HA GLU 1 HA GLU 1 29.391 -7.645 -3.060 5 HB2 GLU 1 HB2 GLU 1 29.640 -10.242 -3.275 6 HB3 GLU 1 HB1 GLU 1 29.999 -10.257 -1.511 7 HG2 GLU 1 HG2 GLU 1 27.714 -9.268 -1.031 8 HG3 GLU 1 HG1 GLU 1 27.361 -9.212 -2.802 9 H MET 2 HN MET 2 28.713 -6.174 -1.536 10 HA MET 2 HA MET 2 29.838 -6.390 1.180 11 HB2 MET 2 HB2 MET 2 29.473 -3.818 -0.478 12 HB3 MET 2 HB1 MET 2 29.731 -3.801 1.307 13 HG2 MET 2 HG2 MET 2 31.941 -4.969 0.975 14 HG3 MET 2 HG1 MET 2 31.690 -4.942 -0.801 15 HE1 MET 2 HE1 MET 2 34.068 -3.939 -1.000 16 HE2 MET 2 HE2 MET 2 34.243 -3.901 0.789 17 HE3 MET 2 HE3 MET 2 34.636 -2.441 -0.183 18 H ARG 3 HN ARG 3 28.529 -5.025 2.716 19 HA ARG 3 HA ARG 3 25.767 -5.851 2.358 20 HB2 ARG 3 HB2 ARG 3 27.410 -6.565 4.284 21 HB3 ARG 3 HB1 ARG 3 27.198 -4.894 4.892 22 HG2 ARG 3 HG2 ARG 3 24.624 -6.404 4.353 23 HG3 ARG 3 HG1 ARG 3 25.670 -7.122 5.625 24 HD2 ARG 3 HD2 ARG 3 25.654 -5.008 6.935 25 HD3 ARG 3 HD1 ARG 3 24.761 -4.142 5.604 26 HE ARG 3 HE ARG 3 23.269 -6.506 6.443 27 HH11 ARG 3 HH11 ARG 3 24.106 -3.172 7.561 28 HH12 ARG 3 HH12 ARG 3 22.678 -3.001 8.526 29 HH21 ARG 3 HH21 ARG 3 21.363 -6.214 7.760 30 HH22 ARG 3 HH22 ARG 3 21.109 -4.744 8.639 31 H LEU 4 HN LEU 4 27.727 -2.974 3.040 32 HA LEU 4 HA LEU 4 25.333 -1.352 3.343 33 HB2 LEU 4 HB2 LEU 4 26.488 0.127 4.713 34 HB3 LEU 4 HB1 LEU 4 27.061 -1.502 5.203 35 HG LEU 4 HG LEU 4 28.945 -0.018 5.286 36 HD11 LEU 4 HD11 LEU 4 29.436 -1.552 2.662 37 HD12 LEU 4 HD12 LEU 4 29.357 -2.343 4.284 38 HD13 LEU 4 HD13 LEU 4 30.623 -1.101 3.946 39 HD21 LEU 4 HD21 LEU 4 29.420 1.759 3.921 40 HD22 LEU 4 HD22 LEU 4 27.745 1.515 3.294 41 HD23 LEU 4 HD23 LEU 4 29.141 0.820 2.402 42 H SER 5 HN SER 5 27.622 -2.079 1.004 43 HA SER 5 HA SER 5 27.992 0.596 0.135 44 HB2 SER 5 HB2 SER 5 29.704 -1.347 -0.190 45 HB3 SER 5 HB1 SER 5 28.707 -1.818 -1.612 46 HG SER 5 HG SER 5 29.215 0.839 -1.593 47 H LYS 6 HN LYS 6 25.463 -1.579 -0.221 48 HA LYS 6 HA LYS 6 24.670 -0.452 -2.795 49 HB2 LYS 6 HB2 LYS 6 23.015 -2.032 -2.848 50 HB3 LYS 6 HB1 LYS 6 24.251 -2.863 -1.854 51 HG2 LYS 6 HG2 LYS 6 21.952 -1.228 -0.594 52 HG3 LYS 6 HG1 LYS 6 21.740 -2.956 -1.045 53 HD2 LYS 6 HD2 LYS 6 23.454 -3.654 0.600 54 HD3 LYS 6 HD1 LYS 6 23.963 -1.950 0.903 55 HE2 LYS 6 HE2 LYS 6 22.592 -2.479 2.792 56 HE3 LYS 6 HE1 LYS 6 21.480 -1.541 1.722 57 HZ1 LYS 6 HZ1 LYS 6 21.589 -4.519 1.910 58 HZ2 LYS 6 HZ2 LYS 6 20.523 -3.613 0.949 59 HZ3 LYS 6 HZ3 LYS 6 20.434 -3.511 2.641 60 H PHE 7 HN PHE 7 24.521 0.457 0.464 61 HA PHE 7 HA PHE 7 21.911 1.714 0.303 62 HB2 PHE 7 HB2 PHE 7 21.639 1.164 2.586 63 HB3 PHE 7 HB1 PHE 7 23.234 0.294 2.515 64 HD1 PHE 7 HD1 PHE 7 21.617 3.534 3.311 65 HD2 PHE 7 HD2 PHE 7 25.077 1.221 3.297 66 HE1 PHE 7 HE1 PHE 7 22.930 5.463 3.757 67 HE2 PHE 7 HE2 PHE 7 26.399 3.067 3.757 68 HZ PHE 7 HZ PHE 7 25.309 5.204 3.914 69 H PHE 8 HN PHE 8 25.300 1.812 0.397 70 HA PHE 8 HA PHE 8 25.209 4.593 0.818 71 HB2 PHE 8 HB2 PHE 8 27.188 3.996 1.713 72 HB3 PHE 8 HB1 PHE 8 27.148 2.392 0.904 73 HD1 PHE 8 HD1 PHE 8 28.701 5.679 0.939 74 HD2 PHE 8 HD2 PHE 8 27.791 2.325 -1.450 75 HE1 PHE 8 HE1 PHE 8 30.125 6.477 -0.857 76 HE2 PHE 8 HE2 PHE 8 29.119 3.083 -3.143 77 HZ PHE 8 HZ PHE 8 30.290 5.154 -2.878 78 H ARG 9 HN ARG 9 24.779 2.364 -1.532 79 HA ARG 9 HA ARG 9 25.509 4.278 -3.493 80 HB2 ARG 9 HB2 ARG 9 24.781 1.377 -3.733 81 HB3 ARG 9 HB1 ARG 9 24.488 2.384 -5.187 82 HG2 ARG 9 HG2 ARG 9 26.889 2.990 -5.259 83 HG3 ARG 9 HG1 ARG 9 27.177 2.059 -3.756 84 HD2 ARG 9 HD2 ARG 9 26.574 -0.088 -4.890 85 HD3 ARG 9 HD1 ARG 9 26.153 0.822 -6.416 86 HE ARG 9 HE ARG 9 28.823 1.563 -5.719 87 HH11 ARG 9 HH11 ARG 9 27.061 -1.428 -6.711 88 HH12 ARG 9 HH12 ARG 9 28.440 -2.145 -7.477 89 HH21 ARG 9 HH21 ARG 9 30.653 0.546 -6.771 90 HH22 ARG 9 HH22 ARG 9 30.496 -1.012 -7.509 91 H ASP 10 HN ASP 10 22.989 3.723 -1.613 92 HA ASP 10 HA ASP 10 20.995 4.077 -3.609 93 HB2 ASP 10 HB2 ASP 10 21.227 3.628 -0.664 94 HB3 ASP 10 HB1 ASP 10 19.701 4.347 -1.285 95 H PHE 11 HN PHE 11 22.523 5.434 -0.982 96 HA PHE 11 HA PHE 11 20.853 7.790 -1.618 97 HB2 PHE 11 HB2 PHE 11 22.029 6.913 0.957 98 HB3 PHE 11 HB1 PHE 11 20.924 8.367 0.827 99 HD1 PHE 11 HD1 PHE 11 21.392 5.295 1.835 100 HD2 PHE 11 HD2 PHE 11 18.431 7.421 -0.278 101 HE1 PHE 11 HE1 PHE 11 19.939 3.600 2.316 102 HE2 PHE 11 HE2 PHE 11 16.829 5.658 0.276 103 HZ PHE 11 HZ PHE 11 17.539 3.708 1.614 104 H ILE 12 HN ILE 12 23.977 6.777 -0.677 105 HA ILE 12 HA ILE 12 24.677 9.218 0.330 106 HB ILE 12 HB ILE 12 26.134 6.839 -0.507 107 HG12 ILE 12 HG12 ILE 12 26.011 6.104 1.567 108 HG13 ILE 12 HG11 ILE 12 26.319 7.678 2.352 109 HG21 ILE 12 HG21 ILE 12 28.238 7.871 0.748 110 HG22 ILE 12 HG22 ILE 12 27.470 9.463 0.431 111 HG23 ILE 12 HG23 ILE 12 27.911 8.379 -0.954 112 HD11 ILE 12 HD11 ILE 12 24.189 7.030 3.036 113 HD12 ILE 12 HD12 ILE 12 23.801 6.272 1.422 114 HD13 ILE 12 HD13 ILE 12 23.783 8.073 1.651 115 H LEU 13 HN LEU 13 25.094 7.840 -2.677 116 HA LEU 13 HA LEU 13 26.726 9.764 -3.914 117 HB2 LEU 13 HB2 LEU 13 24.456 8.300 -5.282 118 HB3 LEU 13 HB1 LEU 13 26.076 8.714 -5.966 119 HG LEU 13 HG LEU 13 25.274 6.569 -3.967 120 HD11 LEU 13 HD11 LEU 13 26.109 4.997 -5.759 121 HD12 LEU 13 HD12 LEU 13 26.349 6.415 -6.845 122 HD13 LEU 13 HD13 LEU 13 24.695 6.012 -6.228 123 HD21 LEU 13 HD21 LEU 13 27.813 5.760 -4.269 124 HD22 LEU 13 HD22 LEU 13 27.378 6.985 -3.020 125 HD23 LEU 13 HD23 LEU 13 28.135 7.510 -4.585 126 H GLN 14 HN GLN 14 23.360 9.610 -3.142 127 HA GLN 14 HA GLN 14 22.654 11.904 -4.842 128 HB2 GLN 14 HB2 GLN 14 21.009 9.720 -3.427 129 HB3 GLN 14 HB1 GLN 14 20.235 11.165 -4.204 130 HG2 GLN 14 HG2 GLN 14 21.409 10.474 -6.416 131 HG3 GLN 14 HG1 GLN 14 21.946 8.962 -5.571 132 HE21 GLN 14 HE21 GLN 14 20.702 7.455 -6.769 133 HE22 GLN 14 HE22 GLN 14 18.971 7.404 -6.753 134 H ARG 15 HN ARG 15 23.816 11.533 -1.638 135 HA ARG 15 HA ARG 15 22.011 13.476 -0.413 136 HB2 ARG 15 HB2 ARG 15 24.818 12.488 0.517 137 HB3 ARG 15 HB1 ARG 15 23.760 13.594 1.470 138 HG2 ARG 15 HG2 ARG 15 22.054 11.832 1.710 139 HG3 ARG 15 HG1 ARG 15 22.973 10.770 0.616 140 HD2 ARG 15 HD2 ARG 15 23.392 9.914 2.890 141 HD3 ARG 15 HD1 ARG 15 24.909 10.768 2.356 142 HE ARG 15 HE ARG 15 23.264 12.712 3.711 143 HH11 ARG 15 HH11 ARG 15 25.072 9.683 4.488 144 HH12 ARG 15 HH12 ARG 15 25.380 10.135 6.131 145 HH21 ARG 15 HH21 ARG 15 23.709 13.268 5.940 146 HH22 ARG 15 HH22 ARG 15 24.599 12.188 6.961 147 H LYS 16 HN LYS 16 25.279 13.174 -1.726 148 HA LYS 16 HA LYS 16 25.301 16.063 -2.335 149 HB2 LYS 16 HB2 LYS 16 27.582 14.040 -1.917 150 HB3 LYS 16 HB1 LYS 16 27.832 15.694 -2.607 151 HG2 LYS 16 HG2 LYS 16 26.900 16.723 -0.542 152 HG3 LYS 16 HG1 LYS 16 26.607 15.093 0.164 153 HD2 LYS 16 HD2 LYS 16 29.034 14.595 0.061 154 HD3 LYS 16 HD1 LYS 16 29.351 16.212 -0.662 155 HE2 LYS 16 HE2 LYS 16 28.501 17.324 1.448 156 HE3 LYS 16 HE1 LYS 16 28.188 15.692 2.174 157 HZ1 LYS 16 HZ1 LYS 16 30.231 16.205 2.973 158 HZ2 LYS 16 HZ2 LYS 16 30.738 17.038 1.582 159 HZ3 LYS 16 HZ3 LYS 16 30.676 15.341 1.581 160 H LYS 17 HN LYS 17 23.874 15.626 -3.998 161 HA LYS 17 HA LYS 17 24.088 13.831 -6.070 162 HB2 LYS 17 HB2 LYS 17 23.113 16.758 -6.320 163 HB3 LYS 17 HB1 LYS 17 22.628 15.368 -7.364 164 HG2 LYS 17 HG2 LYS 17 21.544 14.262 -5.383 165 HG3 LYS 17 HG1 LYS 17 22.029 15.651 -4.340 166 HD2 LYS 17 HD2 LYS 17 20.645 17.195 -5.786 167 HD3 LYS 17 HD1 LYS 17 20.142 15.791 -6.795 168 HE2 LYS 17 HE2 LYS 17 19.019 14.743 -4.793 169 HE3 LYS 17 HE1 LYS 17 19.542 16.141 -3.765 170 HZ1 LYS 17 HZ1 LYS 17 17.264 15.910 -5.315 171 HZ2 LYS 17 HZ2 LYS 17 18.233 17.060 -6.103 172 HZ3 LYS 17 HZ3 LYS 17 17.821 17.273 -4.469 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 28.080 -9.170 -3.708 2 H2 GLU 1 HT2 GLU 1 27.388 -8.505 -2.308 3 H3 GLU 1 HT3 GLU 1 28.544 -9.742 -2.177 4 HA GLU 1 HA GLU 1 30.252 -8.398 -2.389 5 HB2 GLU 1 HB2 GLU 1 28.519 -6.867 -4.443 6 HB3 GLU 1 HB1 GLU 1 30.133 -6.248 -3.924 7 HG2 GLU 1 HG2 GLU 1 31.237 -8.361 -4.757 8 HG3 GLU 1 HG1 GLU 1 29.630 -9.006 -5.271 9 H MET 2 HN MET 2 30.523 -7.596 -0.366 10 HA MET 2 HA MET 2 30.440 -6.345 1.410 11 HB2 MET 2 HB2 MET 2 29.125 -4.028 -0.151 12 HB3 MET 2 HB1 MET 2 30.030 -3.902 1.406 13 HG2 MET 2 HG2 MET 2 31.239 -4.730 -1.316 14 HG3 MET 2 HG1 MET 2 31.344 -3.110 -0.566 15 HE1 MET 2 HE1 MET 2 35.004 -4.519 -0.444 16 HE2 MET 2 HE2 MET 2 33.906 -3.216 -1.017 17 HE3 MET 2 HE3 MET 2 33.744 -4.881 -1.675 18 H ARG 3 HN ARG 3 28.275 -4.234 2.086 19 HA ARG 3 HA ARG 3 25.943 -5.881 2.358 20 HB2 ARG 3 HB2 ARG 3 27.721 -6.488 4.241 21 HB3 ARG 3 HB1 ARG 3 27.383 -4.855 4.883 22 HG2 ARG 3 HG2 ARG 3 24.897 -6.471 4.402 23 HG3 ARG 3 HG1 ARG 3 26.043 -7.273 5.522 24 HD2 ARG 3 HD2 ARG 3 25.325 -4.286 5.942 25 HD3 ARG 3 HD1 ARG 3 24.199 -5.601 6.520 26 HE ARG 3 HE ARG 3 26.784 -6.327 7.462 27 HH11 ARG 3 HH11 ARG 3 24.542 -3.529 7.917 28 HH12 ARG 3 HH12 ARG 3 25.104 -3.176 9.517 29 HH21 ARG 3 HH21 ARG 3 27.498 -5.801 9.624 30 HH22 ARG 3 HH22 ARG 3 26.795 -4.477 10.491 31 H LEU 4 HN LEU 4 27.750 -2.943 3.088 32 HA LEU 4 HA LEU 4 25.310 -1.393 3.375 33 HB2 LEU 4 HB2 LEU 4 26.425 0.106 4.767 34 HB3 LEU 4 HB1 LEU 4 27.036 -1.514 5.249 35 HG LEU 4 HG LEU 4 28.872 0.031 5.359 36 HD11 LEU 4 HD11 LEU 4 29.437 -1.509 2.754 37 HD12 LEU 4 HD12 LEU 4 29.373 -2.279 4.386 38 HD13 LEU 4 HD13 LEU 4 30.599 -1.002 4.039 39 HD21 LEU 4 HD21 LEU 4 29.311 1.816 4.003 40 HD22 LEU 4 HD22 LEU 4 27.664 1.516 3.328 41 HD23 LEU 4 HD23 LEU 4 29.107 0.863 2.483 42 H SER 5 HN SER 5 27.659 -2.068 1.086 43 HA SER 5 HA SER 5 28.032 0.578 0.190 44 HB2 SER 5 HB2 SER 5 29.733 -1.398 -0.075 45 HB3 SER 5 HB1 SER 5 28.747 -1.881 -1.502 46 HG SER 5 HG SER 5 29.275 0.761 -1.554 47 H LYS 6 HN LYS 6 25.490 -1.591 -0.187 48 HA LYS 6 HA LYS 6 24.732 -0.490 -2.781 49 HB2 LYS 6 HB2 LYS 6 23.080 -2.073 -2.838 50 HB3 LYS 6 HB1 LYS 6 24.317 -2.894 -1.838 51 HG2 LYS 6 HG2 LYS 6 22.003 -1.270 -0.587 52 HG3 LYS 6 HG1 LYS 6 21.803 -3.001 -1.033 53 HD2 LYS 6 HD2 LYS 6 23.539 -3.675 0.612 54 HD3 LYS 6 HD1 LYS 6 23.998 -1.961 0.926 55 HE2 LYS 6 HE2 LYS 6 22.628 -2.561 2.802 56 HE3 LYS 6 HE1 LYS 6 21.516 -1.612 1.742 57 HZ1 LYS 6 HZ1 LYS 6 20.510 -3.636 2.633 58 HZ2 LYS 6 HZ2 LYS 6 21.658 -4.594 1.828 59 HZ3 LYS 6 HZ3 LYS 6 20.561 -3.653 0.935 60 H PHE 7 HN PHE 7 24.531 0.437 0.469 61 HA PHE 7 HA PHE 7 21.917 1.683 0.254 62 HB2 PHE 7 HB2 PHE 7 21.603 1.131 2.531 63 HB3 PHE 7 HB1 PHE 7 23.203 0.269 2.491 64 HD1 PHE 7 HD1 PHE 7 21.557 3.504 3.251 65 HD2 PHE 7 HD2 PHE 7 25.028 1.201 3.316 66 HE1 PHE 7 HE1 PHE 7 22.853 5.436 3.724 67 HE2 PHE 7 HE2 PHE 7 26.330 3.056 3.800 68 HZ PHE 7 HZ PHE 7 25.230 5.186 3.933 69 H PHE 8 HN PHE 8 25.303 1.792 0.424 70 HA PHE 8 HA PHE 8 25.202 4.572 0.837 71 HB2 PHE 8 HB2 PHE 8 27.164 3.970 1.769 72 HB3 PHE 8 HB1 PHE 8 27.139 2.368 0.955 73 HD1 PHE 8 HD1 PHE 8 28.691 5.655 1.027 74 HD2 PHE 8 HD2 PHE 8 27.825 2.308 -1.392 75 HE1 PHE 8 HE1 PHE 8 30.148 6.457 -0.737 76 HE2 PHE 8 HE2 PHE 8 29.186 3.072 -3.055 77 HZ PHE 8 HZ PHE 8 30.352 5.142 -2.762 78 H ARG 9 HN ARG 9 24.823 2.335 -1.521 79 HA ARG 9 HA ARG 9 25.595 4.248 -3.467 80 HB2 ARG 9 HB2 ARG 9 24.910 1.341 -3.688 81 HB3 ARG 9 HB1 ARG 9 24.563 2.316 -5.147 82 HG2 ARG 9 HG2 ARG 9 26.957 2.979 -5.281 83 HG3 ARG 9 HG1 ARG 9 27.288 2.087 -3.768 84 HD2 ARG 9 HD2 ARG 9 28.030 0.659 -5.626 85 HD3 ARG 9 HD1 ARG 9 26.504 -0.087 -4.956 86 HE ARG 9 HE ARG 9 25.837 1.752 -7.118 87 HH11 ARG 9 HH11 ARG 9 27.334 -1.492 -6.579 88 HH12 ARG 9 HH12 ARG 9 26.884 -2.100 -8.137 89 HH21 ARG 9 HH21 ARG 9 25.256 0.874 -9.206 90 HH22 ARG 9 HH22 ARG 9 25.694 -0.744 -9.640 91 H ASP 10 HN ASP 10 23.031 3.689 -1.644 92 HA ASP 10 HA ASP 10 21.084 4.038 -3.684 93 HB2 ASP 10 HB2 ASP 10 21.248 3.596 -0.733 94 HB3 ASP 10 HB1 ASP 10 19.737 4.311 -1.394 95 H PHE 11 HN PHE 11 22.549 5.401 -1.028 96 HA PHE 11 HA PHE 11 20.890 7.754 -1.705 97 HB2 PHE 11 HB2 PHE 11 22.011 6.884 0.896 98 HB3 PHE 11 HB1 PHE 11 20.905 8.334 0.739 99 HD1 PHE 11 HD1 PHE 11 21.357 5.271 1.775 100 HD2 PHE 11 HD2 PHE 11 18.442 7.373 -0.428 101 HE1 PHE 11 HE1 PHE 11 19.897 3.573 2.227 102 HE2 PHE 11 HE2 PHE 11 16.834 5.606 0.093 103 HZ PHE 11 HZ PHE 11 17.517 3.667 1.462 104 H ILE 12 HN ILE 12 23.994 6.750 -0.681 105 HA ILE 12 HA ILE 12 24.664 9.193 0.334 106 HB ILE 12 HB ILE 12 26.146 6.815 -0.465 107 HG12 ILE 12 HG12 ILE 12 25.979 6.084 1.607 108 HG13 ILE 12 HG11 ILE 12 26.264 7.661 2.397 109 HG21 ILE 12 HG21 ILE 12 27.457 9.443 0.500 110 HG22 ILE 12 HG22 ILE 12 27.932 8.359 -0.871 111 HG23 ILE 12 HG23 ILE 12 28.220 7.846 0.833 112 HD11 ILE 12 HD11 ILE 12 23.742 8.045 1.639 113 HD12 ILE 12 HD12 ILE 12 24.116 7.013 3.030 114 HD13 ILE 12 HD13 ILE 12 23.772 6.246 1.405 115 H LEU 13 HN LEU 13 25.159 7.811 -2.660 116 HA LEU 13 HA LEU 13 26.818 9.731 -3.860 117 HB2 LEU 13 HB2 LEU 13 24.575 8.278 -5.281 118 HB3 LEU 13 HB1 LEU 13 26.211 8.686 -5.929 119 HG LEU 13 HG LEU 13 25.355 6.538 -3.954 120 HD11 LEU 13 HD11 LEU 13 24.825 5.986 -6.229 121 HD12 LEU 13 HD12 LEU 13 26.229 4.968 -5.734 122 HD13 LEU 13 HD13 LEU 13 26.489 6.390 -6.809 123 HD21 LEU 13 HD21 LEU 13 27.441 6.952 -2.962 124 HD22 LEU 13 HD22 LEU 13 28.235 7.459 -4.514 125 HD23 LEU 13 HD23 LEU 13 27.891 5.715 -4.197 126 H GLN 14 HN GLN 14 23.423 9.571 -3.198 127 HA GLN 14 HA GLN 14 22.775 11.875 -4.909 128 HB2 GLN 14 HB2 GLN 14 21.065 9.697 -3.555 129 HB3 GLN 14 HB1 GLN 14 20.339 11.128 -4.406 130 HG2 GLN 14 HG2 GLN 14 21.628 10.387 -6.533 131 HG3 GLN 14 HG1 GLN 14 22.111 8.890 -5.631 132 HE21 GLN 14 HE21 GLN 14 20.763 8.286 -7.850 133 HE22 GLN 14 HE22 GLN 14 19.106 7.874 -7.559 134 H ARG 15 HN ARG 15 23.792 11.497 -1.646 135 HA ARG 15 HA ARG 15 21.906 13.373 -0.465 136 HB2 ARG 15 HB2 ARG 15 24.736 12.506 0.507 137 HB3 ARG 15 HB1 ARG 15 23.629 13.576 1.444 138 HG2 ARG 15 HG2 ARG 15 21.982 11.757 1.667 139 HG3 ARG 15 HG1 ARG 15 22.950 10.728 0.586 140 HD2 ARG 15 HD2 ARG 15 23.360 9.891 2.875 141 HD3 ARG 15 HD1 ARG 15 24.860 10.781 2.348 142 HE ARG 15 HE ARG 15 23.148 12.687 3.678 143 HH11 ARG 15 HH11 ARG 15 25.048 9.723 4.486 144 HH12 ARG 15 HH12 ARG 15 25.340 10.200 6.125 145 HH21 ARG 15 HH21 ARG 15 23.573 13.276 5.904 146 HH22 ARG 15 HH22 ARG 15 24.494 12.233 6.936 147 H LYS 16 HN LYS 16 25.216 13.261 -1.692 148 HA LYS 16 HA LYS 16 25.078 16.145 -2.308 149 HB2 LYS 16 HB2 LYS 16 27.470 14.274 -1.809 150 HB3 LYS 16 HB1 LYS 16 27.634 15.937 -2.501 151 HG2 LYS 16 HG2 LYS 16 26.577 16.913 -0.469 152 HG3 LYS 16 HG1 LYS 16 26.367 15.269 0.237 153 HD2 LYS 16 HD2 LYS 16 28.823 14.928 0.210 154 HD3 LYS 16 HD1 LYS 16 29.058 16.559 -0.511 155 HE2 LYS 16 HE2 LYS 16 28.074 17.621 1.568 156 HE3 LYS 16 HE1 LYS 16 27.845 15.975 2.292 157 HZ1 LYS 16 HZ1 LYS 16 29.823 16.646 3.150 158 HZ2 LYS 16 HZ2 LYS 16 30.327 17.470 1.753 159 HZ3 LYS 16 HZ3 LYS 16 30.361 15.772 1.797 160 H LYS 17 HN LYS 17 23.750 15.659 -4.017 161 HA LYS 17 HA LYS 17 24.076 13.881 -6.075 162 HB2 LYS 17 HB2 LYS 17 23.082 16.800 -6.350 163 HB3 LYS 17 HB1 LYS 17 22.679 15.428 -7.451 164 HG2 LYS 17 HG2 LYS 17 21.498 14.263 -5.559 165 HG3 LYS 17 HG1 LYS 17 21.898 15.638 -4.462 166 HD2 LYS 17 HD2 LYS 17 20.583 17.194 -5.955 167 HD3 LYS 17 HD1 LYS 17 20.169 15.811 -7.029 168 HE2 LYS 17 HE2 LYS 17 18.931 14.698 -5.131 169 HE3 LYS 17 HE1 LYS 17 19.360 16.081 -4.041 170 HZ1 LYS 17 HZ1 LYS 17 17.343 16.718 -4.760 171 HZ2 LYS 17 HZ2 LYS 17 17.461 15.948 -6.270 172 HZ3 LYS 17 HZ3 LYS 17 18.265 17.420 -6.002 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 32.450 -8.228 -1.779 2 H2 GLU 1 HT2 GLU 1 31.952 -9.171 -3.100 3 H3 GLU 1 HT3 GLU 1 32.252 -9.905 -1.598 4 HA GLU 1 HA GLU 1 29.976 -8.331 -2.503 5 HB2 GLU 1 HB2 GLU 1 30.405 -10.837 -0.742 6 HB3 GLU 1 HB1 GLU 1 28.797 -10.021 -0.833 7 HG2 GLU 1 HG2 GLU 1 28.723 -10.401 -3.331 8 HG3 GLU 1 HG1 GLU 1 30.332 -11.222 -3.256 9 H MET 2 HN MET 2 28.933 -6.741 -1.309 10 HA MET 2 HA MET 2 29.758 -6.418 1.502 11 HB2 MET 2 HB2 MET 2 29.438 -4.180 -0.594 12 HB3 MET 2 HB1 MET 2 29.499 -3.860 1.177 13 HG2 MET 2 HG2 MET 2 31.791 -4.917 1.263 14 HG3 MET 2 HG1 MET 2 31.732 -5.188 -0.509 15 HE1 MET 2 HE1 MET 2 34.473 -2.439 -0.013 16 HE2 MET 2 HE2 MET 2 34.066 -4.067 -0.655 17 HE3 MET 2 HE3 MET 2 34.044 -3.770 1.118 18 H ARG 3 HN ARG 3 28.249 -5.102 2.734 19 HA ARG 3 HA ARG 3 25.527 -5.970 2.119 20 HB2 ARG 3 HB2 ARG 3 26.944 -6.744 4.181 21 HB3 ARG 3 HB1 ARG 3 26.784 -5.059 4.765 22 HG2 ARG 3 HG2 ARG 3 24.151 -6.348 4.059 23 HG3 ARG 3 HG1 ARG 3 25.063 -7.231 5.331 24 HD2 ARG 3 HD2 ARG 3 25.188 -5.180 6.751 25 HD3 ARG 3 HD1 ARG 3 24.400 -4.185 5.443 26 HE ARG 3 HE ARG 3 22.639 -6.380 5.994 27 HH11 ARG 3 HH11 ARG 3 23.967 -3.547 7.804 28 HH12 ARG 3 HH12 ARG 3 22.576 -3.385 8.823 29 HH21 ARG 3 HH21 ARG 3 20.788 -6.107 7.401 30 HH22 ARG 3 HH22 ARG 3 20.761 -4.849 8.592 31 H LEU 4 HN LEU 4 27.508 -3.172 2.896 32 HA LEU 4 HA LEU 4 25.196 -1.445 3.137 33 HB2 LEU 4 HB2 LEU 4 26.425 -0.005 4.492 34 HB3 LEU 4 HB1 LEU 4 26.904 -1.656 5.007 35 HG LEU 4 HG LEU 4 28.867 -0.264 5.075 36 HD11 LEU 4 HD11 LEU 4 29.287 -1.882 2.489 37 HD12 LEU 4 HD12 LEU 4 29.162 -2.629 4.131 38 HD13 LEU 4 HD13 LEU 4 30.493 -1.463 3.766 39 HD21 LEU 4 HD21 LEU 4 27.771 1.299 3.058 40 HD22 LEU 4 HD22 LEU 4 29.106 0.493 2.166 41 HD23 LEU 4 HD23 LEU 4 29.466 1.442 3.661 42 H SER 5 HN SER 5 27.421 -2.295 0.765 43 HA SER 5 HA SER 5 27.938 0.354 -0.104 44 HB2 SER 5 HB2 SER 5 29.225 -0.487 -1.976 45 HB3 SER 5 HB1 SER 5 29.604 -1.534 -0.564 46 HG SER 5 HG SER 5 28.648 -2.213 -2.932 47 H LYS 6 HN LYS 6 25.273 -1.644 -0.449 48 HA LYS 6 HA LYS 6 24.502 -0.415 -2.987 49 HB2 LYS 6 HB2 LYS 6 22.754 -1.890 -3.040 50 HB3 LYS 6 HB1 LYS 6 23.959 -2.815 -2.093 51 HG2 LYS 6 HG2 LYS 6 21.783 -1.083 -0.748 52 HG3 LYS 6 HG1 LYS 6 21.469 -2.789 -1.224 53 HD2 LYS 6 HD2 LYS 6 23.189 -3.604 0.369 54 HD3 LYS 6 HD1 LYS 6 23.778 -1.932 0.701 55 HE2 LYS 6 HE2 LYS 6 22.408 -2.468 2.603 56 HE3 LYS 6 HE1 LYS 6 21.346 -1.420 1.586 57 HZ1 LYS 6 HZ1 LYS 6 20.424 -3.569 0.659 58 HZ2 LYS 6 HZ2 LYS 6 20.043 -3.215 2.276 59 HZ3 LYS 6 HZ3 LYS 6 21.230 -4.376 1.917 60 H PHE 7 HN PHE 7 24.458 0.444 0.290 61 HA PHE 7 HA PHE 7 21.923 1.858 0.190 62 HB2 PHE 7 HB2 PHE 7 21.656 1.278 2.469 63 HB3 PHE 7 HB1 PHE 7 23.202 0.326 2.361 64 HD1 PHE 7 HD1 PHE 7 21.770 3.637 3.250 65 HD2 PHE 7 HD2 PHE 7 25.108 1.157 3.105 66 HE1 PHE 7 HE1 PHE 7 23.195 5.496 3.689 67 HE2 PHE 7 HE2 PHE 7 26.529 2.926 3.571 68 HZ PHE 7 HZ PHE 7 25.559 5.107 3.788 69 H PHE 8 HN PHE 8 25.316 1.746 0.227 70 HA PHE 8 HA PHE 8 25.403 4.520 0.691 71 HB2 PHE 8 HB2 PHE 8 27.363 3.789 1.533 72 HB3 PHE 8 HB1 PHE 8 27.210 2.205 0.698 73 HD1 PHE 8 HD1 PHE 8 28.935 5.415 0.735 74 HD2 PHE 8 HD2 PHE 8 27.817 2.122 -1.655 75 HE1 PHE 8 HE1 PHE 8 30.353 6.160 -1.087 76 HE2 PHE 8 HE2 PHE 8 29.140 2.831 -3.374 77 HZ PHE 8 HZ PHE 8 30.411 4.844 -3.119 78 H ARG 9 HN ARG 9 24.789 2.366 -1.688 79 HA ARG 9 HA ARG 9 25.588 4.275 -3.633 80 HB2 ARG 9 HB2 ARG 9 24.726 1.418 -3.878 81 HB3 ARG 9 HB1 ARG 9 24.395 2.444 -5.308 82 HG2 ARG 9 HG2 ARG 9 26.839 2.995 -5.438 83 HG3 ARG 9 HG1 ARG 9 27.130 1.935 -4.018 84 HD2 ARG 9 HD2 ARG 9 26.374 -0.085 -5.278 85 HD3 ARG 9 HD1 ARG 9 25.906 0.952 -6.705 86 HE ARG 9 HE ARG 9 28.684 1.440 -6.032 87 HH11 ARG 9 HH11 ARG 9 26.587 -1.101 -7.519 88 HH12 ARG 9 HH12 ARG 9 27.855 -1.760 -8.499 89 HH21 ARG 9 HH21 ARG 9 30.361 0.503 -7.391 90 HH22 ARG 9 HH22 ARG 9 30.009 -0.842 -8.423 91 H ASP 10 HN ASP 10 23.070 3.828 -1.717 92 HA ASP 10 HA ASP 10 21.074 4.342 -3.680 93 HB2 ASP 10 HB2 ASP 10 21.320 3.790 -0.752 94 HB3 ASP 10 HB1 ASP 10 19.823 4.605 -1.326 95 H PHE 11 HN PHE 11 22.697 5.538 -1.020 96 HA PHE 11 HA PHE 11 21.129 7.996 -1.546 97 HB2 PHE 11 HB2 PHE 11 22.305 6.959 0.971 98 HB3 PHE 11 HB1 PHE 11 21.277 8.475 0.921 99 HD1 PHE 11 HD1 PHE 11 21.599 5.341 1.760 100 HD2 PHE 11 HD2 PHE 11 18.703 7.724 -0.144 101 HE1 PHE 11 HE1 PHE 11 20.085 3.707 2.208 102 HE2 PHE 11 HE2 PHE 11 17.022 6.023 0.379 103 HZ PHE 11 HZ PHE 11 17.665 3.972 1.597 104 H ILE 12 HN ILE 12 24.228 6.790 -0.779 105 HA ILE 12 HA ILE 12 25.078 9.164 0.298 106 HB ILE 12 HB ILE 12 26.386 6.739 -0.630 107 HG12 ILE 12 HG12 ILE 12 26.257 5.972 1.427 108 HG13 ILE 12 HG11 ILE 12 26.714 7.500 2.232 109 HG21 ILE 12 HG21 ILE 12 28.582 7.634 0.555 110 HG22 ILE 12 HG22 ILE 12 27.885 9.272 0.317 111 HG23 ILE 12 HG23 ILE 12 28.217 8.210 -1.116 112 HD11 ILE 12 HD11 ILE 12 24.566 6.995 2.987 113 HD12 ILE 12 HD12 ILE 12 24.063 6.303 1.375 114 HD13 ILE 12 HD13 ILE 12 24.181 8.104 1.643 115 H LEU 13 HN LEU 13 25.260 7.859 -2.744 116 HA LEU 13 HA LEU 13 26.906 9.769 -4.002 117 HB2 LEU 13 HB2 LEU 13 24.550 8.380 -5.303 118 HB3 LEU 13 HB1 LEU 13 26.144 8.780 -6.049 119 HG LEU 13 HG LEU 13 25.386 6.594 -4.073 120 HD11 LEU 13 HD11 LEU 13 26.089 5.047 -5.917 121 HD12 LEU 13 HD12 LEU 13 26.406 6.470 -6.977 122 HD13 LEU 13 HD13 LEU 13 24.733 6.148 -6.364 123 HD21 LEU 13 HD21 LEU 13 28.244 7.497 -4.775 124 HD22 LEU 13 HD22 LEU 13 27.896 5.749 -4.480 125 HD23 LEU 13 HD23 LEU 13 27.535 6.960 -3.193 126 H GLN 14 HN GLN 14 23.567 9.667 -3.060 127 HA GLN 14 HA GLN 14 22.879 12.048 -4.628 128 HB2 GLN 14 HB2 GLN 14 21.239 9.784 -3.449 129 HB3 GLN 14 HB1 GLN 14 20.430 11.369 -3.778 130 HG2 GLN 14 HG2 GLN 14 21.432 11.207 -6.206 131 HG3 GLN 14 HG1 GLN 14 21.847 9.475 -5.780 132 HE21 GLN 14 HE21 GLN 14 20.344 8.274 -6.993 133 HE22 GLN 14 HE22 GLN 14 18.624 8.453 -6.897 134 H ARG 15 HN ARG 15 24.196 11.675 -1.558 135 HA ARG 15 HA ARG 15 22.426 13.426 -0.079 136 HB2 ARG 15 HB2 ARG 15 25.426 12.738 0.379 137 HB3 ARG 15 HB1 ARG 15 24.445 13.752 1.507 138 HG2 ARG 15 HG2 ARG 15 22.925 11.869 1.960 139 HG3 ARG 15 HG1 ARG 15 23.729 10.901 0.704 140 HD2 ARG 15 HD2 ARG 15 24.518 10.007 2.881 141 HD3 ARG 15 HD1 ARG 15 25.894 10.959 2.134 142 HE ARG 15 HE ARG 15 24.358 12.773 3.790 143 HH11 ARG 15 HH11 ARG 15 26.533 9.909 4.173 144 HH12 ARG 15 HH12 ARG 15 27.093 10.385 5.743 145 HH21 ARG 15 HH21 ARG 15 25.151 13.358 5.915 146 HH22 ARG 15 HH22 ARG 15 26.301 12.356 6.736 147 H LYS 16 HN LYS 16 25.272 13.585 -2.114 148 HA LYS 16 HA LYS 16 25.508 16.479 -2.082 149 HB2 LYS 16 HB2 LYS 16 26.920 14.350 -3.762 150 HB3 LYS 16 HB1 LYS 16 27.306 16.115 -3.801 151 HG2 LYS 16 HG2 LYS 16 27.893 16.022 -1.348 152 HG3 LYS 16 HG1 LYS 16 27.548 14.255 -1.349 153 HD2 LYS 16 HD2 LYS 16 29.331 13.896 -3.049 154 HD3 LYS 16 HD1 LYS 16 29.670 15.663 -3.083 155 HE2 LYS 16 HE2 LYS 16 30.385 15.572 -0.655 156 HE3 LYS 16 HE1 LYS 16 30.044 13.792 -0.626 157 HZ1 LYS 16 HZ1 LYS 16 31.822 14.796 -2.726 158 HZ2 LYS 16 HZ2 LYS 16 31.871 13.354 -1.831 159 HZ3 LYS 16 HZ3 LYS 16 32.412 14.805 -1.133 160 H LYS 17 HN LYS 17 23.909 13.979 -3.996 161 HA LYS 17 HA LYS 17 23.118 16.049 -5.910 162 HB2 LYS 17 HB2 LYS 17 23.761 13.119 -6.493 163 HB3 LYS 17 HB1 LYS 17 23.014 14.245 -7.688 164 HG2 LYS 17 HG2 LYS 17 25.007 15.741 -7.576 165 HG3 LYS 17 HG1 LYS 17 25.768 14.688 -6.326 166 HD2 LYS 17 HD2 LYS 17 25.849 12.794 -7.988 167 HD3 LYS 17 HD1 LYS 17 25.057 13.819 -9.231 168 HE2 LYS 17 HE2 LYS 17 27.774 14.554 -7.920 169 HE3 LYS 17 HE1 LYS 17 27.629 13.582 -9.440 170 HZ1 LYS 17 HZ1 LYS 17 27.091 16.422 -8.955 171 HZ2 LYS 17 HZ2 LYS 17 26.128 15.624 -10.103 172 HZ3 LYS 17 HZ3 LYS 17 27.817 15.644 -10.279 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 31.347 -9.390 -3.251 2 H2 GLU 1 HT2 GLU 1 32.007 -10.126 -1.870 3 H3 GLU 1 HT3 GLU 1 32.063 -8.437 -2.042 4 HA GLU 1 HA GLU 1 29.453 -8.887 -2.285 5 HB2 GLU 1 HB2 GLU 1 30.657 -10.972 -0.350 6 HB3 GLU 1 HB1 GLU 1 28.978 -10.359 -0.112 7 HG2 GLU 1 HG2 GLU 1 28.335 -11.170 -2.421 8 HG3 GLU 1 HG1 GLU 1 30.011 -11.794 -2.670 9 H MET 2 HN MET 2 28.554 -7.145 -1.229 10 HA MET 2 HA MET 2 29.875 -6.227 1.244 11 HB2 MET 2 HB2 MET 2 28.615 -4.334 -0.844 12 HB3 MET 2 HB1 MET 2 29.463 -3.859 0.676 13 HG2 MET 2 HG2 MET 2 31.167 -3.466 -0.828 14 HG3 MET 2 HG1 MET 2 31.539 -5.174 -0.441 15 HE1 MET 2 HE1 MET 2 33.032 -5.486 -2.450 16 HE2 MET 2 HE2 MET 2 32.799 -3.748 -2.845 17 HE3 MET 2 HE3 MET 2 32.644 -4.990 -4.134 18 H ARG 3 HN ARG 3 28.304 -4.508 2.305 19 HA ARG 3 HA ARG 3 25.631 -5.700 2.368 20 HB2 ARG 3 HB2 ARG 3 27.375 -6.495 4.170 21 HB3 ARG 3 HB1 ARG 3 27.322 -4.813 4.778 22 HG2 ARG 3 HG2 ARG 3 24.615 -6.135 4.521 23 HG3 ARG 3 HG1 ARG 3 25.739 -6.964 5.653 24 HD2 ARG 3 HD2 ARG 3 26.083 -4.815 6.931 25 HD3 ARG 3 HD1 ARG 3 24.975 -3.945 5.776 26 HE ARG 3 HE ARG 3 23.557 -6.230 6.820 27 HH11 ARG 3 HH11 ARG 3 24.900 -3.098 8.014 28 HH12 ARG 3 HH12 ARG 3 23.739 -2.937 9.288 29 HH21 ARG 3 HH21 ARG 3 22.017 -5.962 8.563 30 HH22 ARG 3 HH22 ARG 3 22.090 -4.579 9.602 31 H LEU 4 HN LEU 4 27.784 -2.967 2.815 32 HA LEU 4 HA LEU 4 25.503 -1.206 3.182 33 HB2 LEU 4 HB2 LEU 4 26.766 0.227 4.436 34 HB3 LEU 4 HB1 LEU 4 27.312 -1.402 4.937 35 HG LEU 4 HG LEU 4 29.244 0.028 4.890 36 HD11 LEU 4 HD11 LEU 4 29.559 -1.609 2.300 37 HD12 LEU 4 HD12 LEU 4 29.523 -2.345 3.951 38 HD13 LEU 4 HD13 LEU 4 30.818 -1.163 3.517 39 HD21 LEU 4 HD21 LEU 4 29.321 0.757 1.969 40 HD22 LEU 4 HD22 LEU 4 29.728 1.731 3.433 41 HD23 LEU 4 HD23 LEU 4 28.009 1.545 2.913 42 H SER 5 HN SER 5 27.687 -2.095 0.737 43 HA SER 5 HA SER 5 28.076 0.532 -0.242 44 HB2 SER 5 HB2 SER 5 29.657 -1.540 -0.597 45 HB3 SER 5 HB1 SER 5 28.585 -1.926 -1.992 46 HG SER 5 HG SER 5 29.462 0.702 -1.796 47 H LYS 6 HN LYS 6 25.408 -1.438 -0.472 48 HA LYS 6 HA LYS 6 24.540 -0.273 -3.028 49 HB2 LYS 6 HB2 LYS 6 22.342 -1.562 -1.879 50 HB3 LYS 6 HB1 LYS 6 23.441 -2.193 -3.151 51 HG2 LYS 6 HG2 LYS 6 23.614 -3.834 -1.531 52 HG3 LYS 6 HG1 LYS 6 25.026 -2.780 -1.310 53 HD2 LYS 6 HD2 LYS 6 23.897 -3.743 0.790 54 HD3 LYS 6 HD1 LYS 6 24.421 -2.043 0.756 55 HE2 LYS 6 HE2 LYS 6 22.411 -2.129 1.996 56 HE3 LYS 6 HE1 LYS 6 21.958 -1.390 0.412 57 HZ1 LYS 6 HZ1 LYS 6 21.193 -3.966 1.563 58 HZ2 LYS 6 HZ2 LYS 6 21.485 -3.963 -0.109 59 HZ3 LYS 6 HZ3 LYS 6 20.324 -2.915 0.551 60 H PHE 7 HN PHE 7 24.580 0.470 0.235 61 HA PHE 7 HA PHE 7 22.003 1.798 0.250 62 HB2 PHE 7 HB2 PHE 7 21.835 1.172 2.533 63 HB3 PHE 7 HB1 PHE 7 23.425 0.309 2.376 64 HD1 PHE 7 HD1 PHE 7 21.850 3.544 3.319 65 HD2 PHE 7 HD2 PHE 7 25.296 1.238 3.046 66 HE1 PHE 7 HE1 PHE 7 23.202 5.467 3.714 67 HE2 PHE 7 HE2 PHE 7 26.652 3.062 3.454 68 HZ PHE 7 HZ PHE 7 25.590 5.194 3.720 69 H PHE 8 HN PHE 8 25.428 1.792 0.161 70 HA PHE 8 HA PHE 8 25.414 4.544 0.616 71 HB2 PHE 8 HB2 PHE 8 27.430 3.948 1.410 72 HB3 PHE 8 HB1 PHE 8 27.338 2.352 0.599 73 HD1 PHE 8 HD1 PHE 8 28.903 5.631 0.556 74 HD2 PHE 8 HD2 PHE 8 27.871 2.275 -1.777 75 HE1 PHE 8 HE1 PHE 8 30.232 6.426 -1.309 76 HE2 PHE 8 HE2 PHE 8 29.113 3.028 -3.537 77 HZ PHE 8 HZ PHE 8 30.297 5.099 -3.335 78 H ARG 9 HN ARG 9 24.864 2.365 -1.744 79 HA ARG 9 HA ARG 9 25.509 4.332 -3.698 80 HB2 ARG 9 HB2 ARG 9 24.750 1.443 -3.971 81 HB3 ARG 9 HB1 ARG 9 24.391 2.484 -5.385 82 HG2 ARG 9 HG2 ARG 9 26.813 3.092 -5.514 83 HG3 ARG 9 HG1 ARG 9 27.134 2.041 -4.097 84 HD2 ARG 9 HD2 ARG 9 26.424 0.002 -5.359 85 HD3 ARG 9 HD1 ARG 9 25.956 1.035 -6.792 86 HE ARG 9 HE ARG 9 28.708 1.587 -6.072 87 HH11 ARG 9 HH11 ARG 9 26.702 -1.006 -7.589 88 HH12 ARG 9 HH12 ARG 9 28.004 -1.638 -8.539 89 HH21 ARG 9 HH21 ARG 9 30.428 0.693 -7.383 90 HH22 ARG 9 HH22 ARG 9 30.138 -0.663 -8.420 91 H ASP 10 HN ASP 10 23.061 3.753 -1.714 92 HA ASP 10 HA ASP 10 20.985 4.162 -3.614 93 HB2 ASP 10 HB2 ASP 10 21.322 3.672 -0.690 94 HB3 ASP 10 HB1 ASP 10 19.803 4.463 -1.228 95 H PHE 11 HN PHE 11 22.666 5.433 -1.044 96 HA PHE 11 HA PHE 11 20.987 7.840 -1.575 97 HB2 PHE 11 HB2 PHE 11 22.265 6.914 0.934 98 HB3 PHE 11 HB1 PHE 11 21.194 8.397 0.869 99 HD1 PHE 11 HD1 PHE 11 21.628 5.296 1.801 100 HD2 PHE 11 HD2 PHE 11 18.624 7.542 -0.110 101 HE1 PHE 11 HE1 PHE 11 20.163 3.635 2.329 102 HE2 PHE 11 HE2 PHE 11 17.004 5.813 0.500 103 HZ PHE 11 HZ PHE 11 17.730 3.819 1.763 104 H ILE 12 HN ILE 12 24.136 6.792 -0.778 105 HA ILE 12 HA ILE 12 24.901 9.210 0.231 106 HB ILE 12 HB ILE 12 26.291 6.831 -0.717 107 HG12 ILE 12 HG12 ILE 12 26.245 6.062 1.348 108 HG13 ILE 12 HG11 ILE 12 26.626 7.616 2.142 109 HG21 ILE 12 HG21 ILE 12 28.066 8.363 -1.223 110 HG22 ILE 12 HG22 ILE 12 28.466 7.820 0.453 111 HG23 ILE 12 HG23 ILE 12 27.703 9.427 0.199 112 HD11 ILE 12 HD11 ILE 12 24.061 8.067 1.558 113 HD12 ILE 12 HD12 ILE 12 24.514 7.029 2.921 114 HD13 ILE 12 HD13 ILE 12 24.042 6.268 1.326 115 H LEU 13 HN LEU 13 25.161 7.890 -2.818 116 HA LEU 13 HA LEU 13 26.752 9.826 -4.091 117 HB2 LEU 13 HB2 LEU 13 24.411 8.393 -5.373 118 HB3 LEU 13 HB1 LEU 13 25.998 8.812 -6.129 119 HG LEU 13 HG LEU 13 25.285 6.637 -4.125 120 HD11 LEU 13 HD11 LEU 13 26.220 6.529 -7.053 121 HD12 LEU 13 HD12 LEU 13 24.600 6.109 -6.361 122 HD13 LEU 13 HD13 LEU 13 26.038 5.092 -5.977 123 HD21 LEU 13 HD21 LEU 13 28.118 7.585 -4.851 124 HD22 LEU 13 HD22 LEU 13 27.809 5.830 -4.561 125 HD23 LEU 13 HD23 LEU 13 27.429 7.028 -3.268 126 H GLN 14 HN GLN 14 23.407 9.664 -3.203 127 HA GLN 14 HA GLN 14 22.639 11.971 -4.843 128 HB2 GLN 14 HB2 GLN 14 21.039 9.812 -3.349 129 HB3 GLN 14 HB1 GLN 14 20.250 11.247 -4.130 130 HG2 GLN 14 HG2 GLN 14 21.339 10.496 -6.363 131 HG3 GLN 14 HG1 GLN 14 21.893 9.000 -5.507 132 HE21 GLN 14 HE21 GLN 14 20.336 8.457 -7.622 133 HE22 GLN 14 HE22 GLN 14 18.714 8.037 -7.181 134 H ARG 15 HN ARG 15 23.883 11.602 -1.642 135 HA ARG 15 HA ARG 15 22.049 13.411 -0.292 136 HB2 ARG 15 HB2 ARG 15 24.946 12.577 0.470 137 HB3 ARG 15 HB1 ARG 15 23.872 13.590 1.508 138 HG2 ARG 15 HG2 ARG 15 22.263 11.723 1.718 139 HG3 ARG 15 HG1 ARG 15 23.236 10.760 0.580 140 HD2 ARG 15 HD2 ARG 15 23.743 9.880 2.831 141 HD3 ARG 15 HD1 ARG 15 25.192 10.839 2.281 142 HE ARG 15 HE ARG 15 23.478 12.658 3.704 143 HH11 ARG 15 HH11 ARG 15 25.409 9.688 4.410 144 HH12 ARG 15 HH12 ARG 15 25.732 10.131 6.052 145 HH21 ARG 15 HH21 ARG 15 23.947 13.204 5.934 146 HH22 ARG 15 HH22 ARG 15 24.895 12.144 6.923 147 H LYS 16 HN LYS 16 25.258 13.464 -1.806 148 HA LYS 16 HA LYS 16 25.433 16.380 -1.670 149 HB2 LYS 16 HB2 LYS 16 27.344 14.304 -2.885 150 HB3 LYS 16 HB1 LYS 16 27.690 16.072 -2.738 151 HG2 LYS 16 HG2 LYS 16 27.511 15.892 -0.236 152 HG3 LYS 16 HG1 LYS 16 27.196 14.126 -0.395 153 HD2 LYS 16 HD2 LYS 16 29.410 13.823 -1.500 154 HD3 LYS 16 HD1 LYS 16 29.730 15.587 -1.358 155 HE2 LYS 16 HE2 LYS 16 29.691 15.398 1.161 156 HE3 LYS 16 HE1 LYS 16 29.354 13.622 1.022 157 HZ1 LYS 16 HZ1 LYS 16 31.813 15.125 0.538 158 HZ2 LYS 16 HZ2 LYS 16 31.511 13.799 -0.478 159 HZ3 LYS 16 HZ3 LYS 16 31.571 13.583 1.205 160 H LYS 17 HN LYS 17 23.910 14.175 -3.583 161 HA LYS 17 HA LYS 17 22.904 14.170 -5.470 162 HB2 LYS 17 HB2 LYS 17 23.472 17.185 -5.694 163 HB3 LYS 17 HB1 LYS 17 22.269 16.277 -6.684 164 HG2 LYS 17 HG2 LYS 17 21.004 15.663 -4.597 165 HG3 LYS 17 HG1 LYS 17 22.205 16.563 -3.597 166 HD2 LYS 17 HD2 LYS 17 21.596 18.678 -4.781 167 HD3 LYS 17 HD1 LYS 17 20.391 17.788 -5.774 168 HE2 LYS 17 HE2 LYS 17 19.087 17.213 -3.688 169 HE3 LYS 17 HE1 LYS 17 20.309 18.096 -2.682 170 HZ1 LYS 17 HZ1 LYS 17 18.114 19.207 -3.549 171 HZ2 LYS 17 HZ2 LYS 17 19.066 19.527 -4.918 172 HZ3 LYS 17 HZ3 LYS 17 19.561 20.080 -3.391
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