data_17613 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17613 _Entry.PDB_ID 2LCI save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17613 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.751 0.075 17613 2 1 1 . 1 1 3 3 ILE C C 3 173.405 173.405 174.801 -1.396 17613 3 1 1 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.336 -0.780 17613 4 1 1 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.986 0.522 17613 5 1 1 . 1 1 3 3 ILE H H 3 8.444 8.444 8.353 0.091 17613 6 1 1 . 1 1 4 4 LEU N N 4 127.785 127.785 128.009 -0.224 17613 7 1 1 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.143 0.316 17613 8 1 1 . 1 1 4 4 LEU C C 4 174.832 174.832 176.412 -1.580 17613 9 1 1 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.405 -0.064 17613 10 1 1 . 1 1 4 4 LEU CB C 4 45.313 45.313 42.800 2.514 17613 11 1 1 . 1 1 4 4 LEU H H 4 9.081 9.081 8.692 0.389 17613 12 1 1 . 1 1 5 5 ILE N N 5 123.010 123.010 125.054 -2.044 17613 13 1 1 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.361 0.472 17613 14 1 1 . 1 1 5 5 ILE C C 5 173.357 173.357 175.191 -1.834 17613 15 1 1 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.724 0.820 17613 16 1 1 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.118 3.414 17613 17 1 1 . 1 1 5 5 ILE H H 5 8.765 8.765 8.646 0.119 17613 18 1 1 . 1 1 6 6 LEU N N 6 129.320 129.320 130.821 -1.501 17613 19 1 1 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.082 0.264 17613 20 1 1 . 1 1 6 6 LEU C C 6 174.795 174.795 175.319 -0.524 17613 21 1 1 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.736 -0.736 17613 22 1 1 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.037 1.491 17613 23 1 1 . 1 1 6 6 LEU H H 6 9.235 9.235 8.275 0.960 17613 24 1 1 . 1 1 7 7 ILE N N 7 120.746 120.746 126.063 -5.317 17613 25 1 1 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.821 0.360 17613 26 1 1 . 1 1 7 7 ILE C C 7 173.819 173.819 173.917 -0.098 17613 27 1 1 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.377 -2.162 17613 28 1 1 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.162 -1.008 17613 29 1 1 . 1 1 7 7 ILE H H 7 8.931 8.931 9.225 -0.294 17613 30 1 1 . 1 1 8 8 ASN N N 8 125.539 125.539 126.033 -0.494 17613 31 1 1 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.335 0.568 17613 32 1 1 . 1 1 8 8 ASN C C 8 176.478 176.478 173.800 2.678 17613 33 1 1 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.897 -0.793 17613 34 1 1 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.711 0.871 17613 35 1 1 . 1 1 8 8 ASN H H 8 8.634 8.634 8.848 -0.214 17613 36 1 1 . 1 1 9 9 THR N N 9 118.493 118.493 118.523 -0.030 17613 37 1 1 . 1 1 9 9 THR HA H 9 4.739 4.739 4.855 -0.116 17613 38 1 1 . 1 1 9 9 THR C C 9 170.114 170.114 174.202 -4.088 17613 39 1 1 . 1 1 9 9 THR CA C 9 60.689 60.689 60.023 0.666 17613 40 1 1 . 1 1 9 9 THR CB C 9 67.766 67.766 71.735 -3.969 17613 41 1 1 . 1 1 9 9 THR H H 9 8.044 8.044 8.226 -0.182 17613 42 1 1 . 1 1 10 10 ASN N N 10 123.266 123.266 123.817 -0.551 17613 43 1 1 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.658 0.309 17613 44 1 1 . 1 1 10 10 ASN C C 10 174.601 174.601 174.840 -0.239 17613 45 1 1 . 1 1 10 10 ASN CA C 10 51.844 51.844 53.474 -1.630 17613 46 1 1 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.242 0.074 17613 47 1 1 . 1 1 10 10 ASN H H 10 8.440 8.440 8.422 0.018 17613 48 1 1 . 1 1 11 11 ASN N N 11 120.920 120.920 118.599 2.321 17613 49 1 1 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.891 -0.198 17613 50 1 1 . 1 1 11 11 ASN C C 11 174.333 174.333 174.828 -0.495 17613 51 1 1 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.591 -0.155 17613 52 1 1 . 1 1 11 11 ASN CB C 11 38.349 38.349 40.321 -1.972 17613 53 1 1 . 1 1 11 11 ASN H H 11 8.366 8.366 7.726 0.640 17613 54 1 1 . 1 1 12 12 ASP N N 12 126.315 126.315 123.532 2.783 17613 55 1 1 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.356 -0.083 17613 56 1 1 . 1 1 12 12 ASP C C 12 178.089 178.089 177.733 0.356 17613 57 1 1 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.729 -0.121 17613 58 1 1 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.746 0.415 17613 59 1 1 . 1 1 12 12 ASP H H 12 8.586 8.586 8.967 -0.381 17613 60 1 1 . 1 1 13 13 GLU N N 13 119.325 119.325 120.608 -1.283 17613 61 1 1 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.057 -0.031 17613 62 1 1 . 1 1 13 13 GLU C C 13 178.893 178.893 178.688 0.205 17613 63 1 1 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.308 -0.302 17613 64 1 1 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.360 -0.652 17613 65 1 1 . 1 1 13 13 GLU H H 13 8.289 8.289 8.613 -0.324 17613 66 1 1 . 1 1 14 14 LEU N N 14 121.683 121.683 118.565 3.118 17613 67 1 1 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.083 -0.098 17613 68 1 1 . 1 1 14 14 LEU C C 14 178.309 178.309 179.044 -0.735 17613 69 1 1 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.612 -0.351 17613 70 1 1 . 1 1 14 14 LEU CB C 14 40.105 40.105 41.123 -1.018 17613 71 1 1 . 1 1 14 14 LEU H H 14 7.577 7.577 7.615 -0.038 17613 72 1 1 . 1 1 15 15 ILE N N 15 119.483 119.483 118.545 0.938 17613 73 1 1 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.553 -0.334 17613 74 1 1 . 1 1 15 15 ILE C C 15 177.138 177.138 177.998 -0.860 17613 75 1 1 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.697 0.893 17613 76 1 1 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.371 0.053 17613 77 1 1 . 1 1 15 15 ILE H H 15 8.238 8.238 7.350 0.888 17613 78 1 1 . 1 1 16 16 LYS N N 16 117.596 117.596 118.725 -1.129 17613 79 1 1 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.064 -0.221 17613 80 1 1 . 1 1 16 16 LYS C C 16 179.577 179.577 179.005 0.572 17613 81 1 1 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.239 0.930 17613 82 1 1 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.049 0.115 17613 83 1 1 . 1 1 16 16 LYS H H 16 7.604 7.604 7.564 0.040 17613 84 1 1 . 1 1 17 17 LYS N N 17 118.832 118.832 120.036 -1.204 17613 85 1 1 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.089 -0.097 17613 86 1 1 . 1 1 17 17 LYS C C 17 179.380 179.380 179.094 0.286 17613 87 1 1 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.426 0.414 17613 88 1 1 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.437 0.628 17613 89 1 1 . 1 1 17 17 LYS H H 17 7.583 7.583 7.646 -0.063 17613 90 1 1 . 1 1 18 18 ILE N N 18 120.961 120.961 120.404 0.557 17613 91 1 1 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.642 -0.270 17613 92 1 1 . 1 1 18 18 ILE C C 18 176.967 176.967 177.644 -0.677 17613 93 1 1 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.103 0.371 17613 94 1 1 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.668 -0.112 17613 95 1 1 . 1 1 18 18 ILE H H 18 8.785 8.785 8.330 0.455 17613 96 1 1 . 1 1 19 19 LYS N N 19 118.324 118.324 119.025 -0.701 17613 97 1 1 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.980 -0.300 17613 98 1 1 . 1 1 19 19 LYS C C 19 177.746 177.746 177.950 -0.204 17613 99 1 1 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.648 1.205 17613 100 1 1 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.206 0.119 17613 101 1 1 . 1 1 19 19 LYS H H 19 8.532 8.532 7.664 0.868 17613 102 1 1 . 1 1 20 20 LYS N N 20 116.284 116.284 116.569 -0.285 17613 103 1 1 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.206 -0.119 17613 104 1 1 . 1 1 20 20 LYS C C 20 178.406 178.406 178.698 -0.292 17613 105 1 1 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.054 0.485 17613 106 1 1 . 1 1 20 20 LYS CB C 20 31.981 31.981 32.061 -0.080 17613 107 1 1 . 1 1 20 20 LYS H H 20 7.303 7.303 7.380 -0.077 17613 108 1 1 . 1 1 21 21 GLU N N 21 118.488 118.488 118.176 0.312 17613 109 1 1 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.079 -0.116 17613 110 1 1 . 1 1 21 21 GLU C C 21 179.088 179.088 178.500 0.588 17613 111 1 1 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.019 -0.125 17613 112 1 1 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.729 -0.295 17613 113 1 1 . 1 1 21 21 GLU H H 21 7.665 7.665 8.080 -0.415 17613 114 1 1 . 1 1 22 22 VAL N N 22 109.032 109.032 110.800 -1.768 17613 115 1 1 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.556 -0.424 17613 116 1 1 . 1 1 22 22 VAL CA C 22 62.799 62.799 61.708 1.091 17613 117 1 1 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.844 -3.015 17613 118 1 1 . 1 1 22 22 VAL H H 22 8.037 8.037 7.744 0.293 17613 119 1 1 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.754 -0.037 17613 120 1 1 . 1 1 24 24 ASN CA C 24 58.808 58.808 54.173 4.635 17613 121 1 1 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.521 -0.350 17613 122 1 1 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.587 0.059 17613 123 1 1 . 1 1 25 25 GLN C C 25 175.692 175.692 176.436 -0.744 17613 124 1 1 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.534 -0.516 17613 125 1 1 . 1 1 26 26 GLY N N 26 106.368 106.368 108.118 -1.750 17613 126 1 1 . 1 1 26 26 GLY C C 26 174.382 174.382 173.906 0.476 17613 127 1 1 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.584 0.373 17613 128 1 1 . 1 1 26 26 GLY H H 26 8.020 8.020 7.925 0.095 17613 129 1 1 . 1 1 27 27 TYR N N 27 119.082 119.082 119.977 -0.895 17613 130 1 1 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.676 -0.243 17613 131 1 1 . 1 1 27 27 TYR C C 27 174.528 174.528 175.451 -0.923 17613 132 1 1 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.350 0.704 17613 133 1 1 . 1 1 27 27 TYR CB C 27 39.005 39.005 38.792 0.213 17613 134 1 1 . 1 1 27 27 TYR H H 27 7.845 7.845 7.650 0.195 17613 135 1 1 . 1 1 28 28 GLN N N 28 120.362 120.362 125.205 -4.843 17613 136 1 1 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.369 0.130 17613 137 1 1 . 1 1 28 28 GLN C C 28 174.625 174.625 175.565 -0.940 17613 138 1 1 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.361 -0.981 17613 139 1 1 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.776 1.679 17613 140 1 1 . 1 1 28 28 GLN H H 28 8.338 8.338 8.494 -0.156 17613 141 1 1 . 1 1 29 29 VAL N N 29 123.482 123.482 125.372 -1.890 17613 142 1 1 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.417 0.626 17613 143 1 1 . 1 1 29 29 VAL C C 29 175.820 175.820 176.449 -0.629 17613 144 1 1 . 1 1 29 29 VAL CA C 29 61.488 61.488 63.132 -1.644 17613 145 1 1 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.709 0.764 17613 146 1 1 . 1 1 29 29 VAL H H 29 8.776 8.776 8.410 0.366 17613 147 1 1 . 1 1 30 30 ARG N N 30 127.787 127.787 128.478 -0.691 17613 148 1 1 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.615 0.125 17613 149 1 1 . 1 1 30 30 ARG C C 30 173.332 173.332 174.598 -1.266 17613 150 1 1 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.188 0.600 17613 151 1 1 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.575 0.816 17613 152 1 1 . 1 1 30 30 ARG H H 30 9.135 9.135 8.846 0.289 17613 153 1 1 . 1 1 31 31 ASP N N 31 121.895 121.895 123.810 -1.915 17613 154 1 1 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.356 -0.146 17613 155 1 1 . 1 1 31 31 ASP C C 31 175.282 175.282 175.666 -0.384 17613 156 1 1 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.724 0.646 17613 157 1 1 . 1 1 31 31 ASP CB C 31 42.722 42.722 41.421 1.301 17613 158 1 1 . 1 1 31 31 ASP H H 31 8.377 8.377 8.579 -0.202 17613 159 1 1 . 1 1 32 32 VAL N N 32 120.426 120.426 123.089 -2.663 17613 160 1 1 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.367 -0.119 17613 161 1 1 . 1 1 32 32 VAL C C 32 174.114 174.114 174.615 -0.501 17613 162 1 1 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.165 0.392 17613 163 1 1 . 1 1 32 32 VAL CB C 32 33.884 33.884 31.974 1.910 17613 164 1 1 . 1 1 32 32 VAL H H 32 8.441 8.441 8.529 -0.088 17613 165 1 1 . 1 1 33 33 ASN N N 33 122.700 122.700 123.656 -0.956 17613 166 1 1 . 1 1 33 33 ASN HA H 33 4.977 4.977 5.255 -0.278 17613 167 1 1 . 1 1 33 33 ASN C C 33 174.235 174.235 173.817 0.418 17613 168 1 1 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.001 0.395 17613 169 1 1 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.672 0.197 17613 170 1 1 . 1 1 33 33 ASN H H 33 9.550 9.550 8.867 0.683 17613 171 1 1 . 1 1 34 34 ASP N N 34 114.885 114.885 119.579 -4.694 17613 172 1 1 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.840 -0.137 17613 173 1 1 . 1 1 34 34 ASP C C 34 175.626 175.626 175.820 -0.194 17613 174 1 1 . 1 1 34 34 ASP CA C 34 53.483 53.483 53.039 0.444 17613 175 1 1 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.665 -1.269 17613 176 1 1 . 1 1 34 34 ASP H H 34 7.616 7.616 7.816 -0.200 17613 177 1 1 . 1 1 35 35 SER N N 35 114.381 114.381 120.235 -5.854 17613 178 1 1 . 1 1 35 35 SER HA H 35 4.046 4.046 4.141 -0.095 17613 179 1 1 . 1 1 35 35 SER C C 35 175.991 175.991 176.015 -0.024 17613 180 1 1 . 1 1 35 35 SER CA C 35 61.446 61.446 61.273 0.173 17613 181 1 1 . 1 1 35 35 SER CB C 35 62.764 62.764 63.318 -0.554 17613 182 1 1 . 1 1 35 35 SER H H 35 8.869 8.869 8.665 0.204 17613 183 1 1 . 1 1 36 36 ASP N N 36 124.695 124.695 121.493 3.202 17613 184 1 1 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.369 0.150 17613 185 1 1 . 1 1 36 36 ASP C C 36 179.136 179.136 178.141 0.995 17613 186 1 1 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.360 0.308 17613 187 1 1 . 1 1 36 36 ASP CB C 36 40.284 40.284 41.057 -0.773 17613 188 1 1 . 1 1 36 36 ASP H H 36 8.388 8.388 8.251 0.137 17613 189 1 1 . 1 1 37 37 GLU N N 37 122.449 122.449 119.389 3.060 17613 190 1 1 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.031 0.028 17613 191 1 1 . 1 1 37 37 GLU C C 37 178.698 178.698 179.061 -0.363 17613 192 1 1 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.840 0.369 17613 193 1 1 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.376 0.345 17613 194 1 1 . 1 1 37 37 GLU H H 37 9.009 9.009 7.804 1.205 17613 195 1 1 . 1 1 38 38 LEU N N 38 119.580 119.580 122.099 -2.519 17613 196 1 1 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.982 -0.071 17613 197 1 1 . 1 1 38 38 LEU C C 38 177.649 177.649 178.252 -0.603 17613 198 1 1 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.816 0.317 17613 199 1 1 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.981 -0.912 17613 200 1 1 . 1 1 38 38 LEU H H 38 8.203 8.203 8.020 0.183 17613 201 1 1 . 1 1 39 39 LYS N N 39 118.404 118.404 117.190 1.214 17613 202 1 1 . 1 1 39 39 LYS HA H 39 3.841 3.841 4.036 -0.195 17613 203 1 1 . 1 1 39 39 LYS C C 39 179.577 179.577 178.987 0.590 17613 204 1 1 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.286 0.580 17613 205 1 1 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.169 -0.121 17613 206 1 1 . 1 1 39 39 LYS H H 39 7.829 7.829 7.768 0.061 17613 207 1 1 . 1 1 40 40 LYS N N 40 119.271 119.271 119.075 0.196 17613 208 1 1 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.191 -0.169 17613 209 1 1 . 1 1 40 40 LYS C C 40 179.577 179.577 178.525 1.052 17613 210 1 1 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.550 1.040 17613 211 1 1 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.732 -0.332 17613 212 1 1 . 1 1 40 40 LYS H H 40 7.779 7.779 7.942 -0.163 17613 213 1 1 . 1 1 41 41 GLU N N 41 119.647 119.647 119.033 0.614 17613 214 1 1 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.171 0.092 17613 215 1 1 . 1 1 41 41 GLU C C 41 179.504 179.504 179.180 0.324 17613 216 1 1 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.731 -0.657 17613 217 1 1 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.376 -1.130 17613 218 1 1 . 1 1 41 41 GLU H H 41 8.721 8.721 8.010 0.711 17613 219 1 1 . 1 1 42 42 MET N N 42 118.114 118.114 119.793 -1.679 17613 220 1 1 . 1 1 42 42 MET HA H 42 4.383 4.383 4.253 0.131 17613 221 1 1 . 1 1 42 42 MET C C 42 179.185 179.185 177.826 1.359 17613 222 1 1 . 1 1 42 42 MET CA C 42 57.054 57.054 56.801 0.253 17613 223 1 1 . 1 1 42 42 MET CB C 42 31.254 31.254 32.453 -1.199 17613 224 1 1 . 1 1 42 42 MET H H 42 8.779 8.779 8.156 0.623 17613 225 1 1 . 1 1 43 43 LYS N N 43 120.740 120.740 118.557 2.183 17613 226 1 1 . 1 1 43 43 LYS HA H 43 4.088 4.088 3.982 0.106 17613 227 1 1 . 1 1 43 43 LYS C C 43 178.187 178.187 178.882 -0.695 17613 228 1 1 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.543 -0.153 17613 229 1 1 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.981 -0.019 17613 230 1 1 . 1 1 43 43 LYS H H 43 7.499 7.499 8.209 -0.710 17613 231 1 1 . 1 1 44 44 LYS N N 44 118.269 118.269 118.831 -0.562 17613 232 1 1 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.176 -0.115 17613 233 1 1 . 1 1 44 44 LYS C C 44 179.601 179.601 179.010 0.591 17613 234 1 1 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.154 1.346 17613 235 1 1 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.860 0.210 17613 236 1 1 . 1 1 44 44 LYS H H 44 7.445 7.445 7.416 0.029 17613 237 1 1 . 1 1 45 45 LEU N N 45 117.785 117.785 118.756 -0.971 17613 238 1 1 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.143 0.005 17613 239 1 1 . 1 1 45 45 LEU C C 45 178.357 178.357 178.979 -0.622 17613 240 1 1 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.870 -0.683 17613 241 1 1 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.396 0.377 17613 242 1 1 . 1 1 45 45 LEU H H 45 8.161 8.161 7.752 0.409 17613 243 1 1 . 1 1 46 46 ALA N N 46 118.538 118.538 120.865 -2.327 17613 244 1 1 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.589 -0.337 17613 245 1 1 . 1 1 46 46 ALA C C 46 178.893 178.893 179.101 -0.208 17613 246 1 1 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.815 -0.143 17613 247 1 1 . 1 1 46 46 ALA CB C 46 18.882 18.882 19.118 -0.236 17613 248 1 1 . 1 1 46 46 ALA H H 46 7.637 7.637 7.383 0.254 17613 249 1 1 . 1 1 47 47 GLU N N 47 115.492 115.492 117.171 -1.679 17613 250 1 1 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.253 -0.003 17613 251 1 1 . 1 1 47 47 GLU C C 47 176.478 176.478 177.194 -0.716 17613 252 1 1 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.309 -0.379 17613 253 1 1 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.283 0.134 17613 254 1 1 . 1 1 47 47 GLU H H 47 7.713 7.713 8.004 -0.291 17613 255 1 1 . 1 1 48 48 GLU N N 48 120.573 120.573 120.304 0.269 17613 256 1 1 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.472 -0.099 17613 257 1 1 . 1 1 48 48 GLU C C 48 173.624 173.624 175.532 -1.908 17613 258 1 1 . 1 1 48 48 GLU CA C 48 56.021 56.021 54.633 1.388 17613 259 1 1 . 1 1 48 48 GLU CB C 48 29.910 29.910 28.910 1.000 17613 260 1 1 . 1 1 48 48 GLU H H 48 7.748 7.748 8.088 -0.340 17613 261 1 1 . 1 1 49 49 LYS N N 49 124.420 124.420 123.827 0.593 17613 262 1 1 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.159 0.159 17613 263 1 1 . 1 1 49 49 LYS C C 49 176.843 176.843 176.267 0.576 17613 264 1 1 . 1 1 49 49 LYS CA C 49 56.517 56.517 57.204 -0.687 17613 265 1 1 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.734 -0.272 17613 266 1 1 . 1 1 49 49 LYS H H 49 8.607 8.607 8.520 0.087 17613 267 1 1 . 1 1 50 50 ASN N N 50 117.993 117.993 118.155 -0.162 17613 268 1 1 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.476 0.148 17613 269 1 1 . 1 1 50 50 ASN C C 50 176.454 176.454 174.847 1.607 17613 270 1 1 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.062 0.493 17613 271 1 1 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.750 0.286 17613 272 1 1 . 1 1 50 50 ASN H H 50 8.723 8.723 7.872 0.851 17613 273 1 1 . 1 1 51 51 PHE N N 51 120.700 120.700 118.559 2.141 17613 274 1 1 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.871 -0.113 17613 275 1 1 . 1 1 51 51 PHE CA C 51 57.935 57.935 56.314 1.621 17613 276 1 1 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.105 0.869 17613 277 1 1 . 1 1 51 51 PHE H H 51 8.341 8.341 8.104 0.237 17613 278 1 1 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.452 -0.194 17613 279 1 1 . 1 1 52 52 GLU C C 52 173.600 173.600 175.698 -2.098 17613 280 1 1 . 1 1 52 52 GLU CA C 52 56.254 56.254 54.113 2.141 17613 281 1 1 . 1 1 52 52 GLU CB C 52 33.459 33.459 31.892 1.567 17613 282 1 1 . 1 1 53 53 LYS N N 53 119.964 119.964 123.827 -3.863 17613 283 1 1 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.265 0.424 17613 284 1 1 . 1 1 53 53 LYS C C 53 174.430 174.430 175.241 -0.811 17613 285 1 1 . 1 1 53 53 LYS CA C 53 55.356 55.356 56.197 -0.841 17613 286 1 1 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.586 -0.141 17613 287 1 1 . 1 1 53 53 LYS H H 53 7.962 7.962 8.503 -0.541 17613 288 1 1 . 1 1 54 54 ILE N N 54 124.730 124.730 123.821 0.909 17613 289 1 1 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.712 0.134 17613 290 1 1 . 1 1 54 54 ILE C C 54 173.089 173.089 174.513 -1.424 17613 291 1 1 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.287 0.977 17613 292 1 1 . 1 1 54 54 ILE CB C 54 41.953 41.953 41.050 0.903 17613 293 1 1 . 1 1 54 54 ILE H H 54 8.804 8.804 8.423 0.381 17613 294 1 1 . 1 1 55 55 LEU N N 55 130.086 130.086 126.917 3.169 17613 295 1 1 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.112 0.529 17613 296 1 1 . 1 1 55 55 LEU C C 55 174.430 174.430 174.614 -0.184 17613 297 1 1 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.786 -0.284 17613 298 1 1 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.839 -0.637 17613 299 1 1 . 1 1 55 55 LEU H H 55 9.103 9.103 8.656 0.447 17613 300 1 1 . 1 1 56 56 ILE N N 56 125.983 125.983 126.914 -0.931 17613 301 1 1 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.666 0.391 17613 302 1 1 . 1 1 56 56 ILE C C 56 174.089 174.089 175.158 -1.069 17613 303 1 1 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.893 0.217 17613 304 1 1 . 1 1 56 56 ILE CB C 56 39.823 39.823 37.794 2.029 17613 305 1 1 . 1 1 56 56 ILE H H 56 9.182 9.182 8.530 0.652 17613 306 1 1 . 1 1 57 57 ILE N N 57 127.241 127.241 129.488 -2.247 17613 307 1 1 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.948 -0.036 17613 308 1 1 . 1 1 57 57 ILE C C 57 174.869 174.869 175.175 -0.306 17613 309 1 1 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.558 -1.303 17613 310 1 1 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.408 -0.457 17613 311 1 1 . 1 1 57 57 ILE H H 57 8.541 8.541 8.544 -0.003 17613 312 1 1 . 1 1 58 58 SER N N 58 119.270 119.270 121.694 -2.424 17613 313 1 1 . 1 1 58 58 SER HA H 58 5.007 5.007 5.198 -0.191 17613 314 1 1 . 1 1 58 58 SER C C 58 174.211 174.211 174.025 0.186 17613 315 1 1 . 1 1 58 58 SER CA C 58 56.727 56.727 56.897 -0.170 17613 316 1 1 . 1 1 58 58 SER CB C 58 66.615 66.615 65.368 1.247 17613 317 1 1 . 1 1 58 58 SER H H 58 8.810 8.810 8.640 0.170 17613 318 1 1 . 1 1 59 59 ASN N N 59 122.382 122.382 125.838 -3.456 17613 319 1 1 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.954 -0.243 17613 320 1 1 . 1 1 59 59 ASN C C 59 174.795 174.795 174.664 0.131 17613 321 1 1 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.425 -0.918 17613 322 1 1 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.204 -0.242 17613 323 1 1 . 1 1 59 59 ASN H H 59 8.794 8.794 8.685 0.109 17613 324 1 1 . 1 1 60 60 ASP N N 60 119.744 119.744 121.239 -1.495 17613 325 1 1 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.826 0.037 17613 326 1 1 . 1 1 60 60 ASP C C 60 176.015 176.015 176.001 0.014 17613 327 1 1 . 1 1 60 60 ASP CA C 60 53.097 53.097 53.706 -0.610 17613 328 1 1 . 1 1 60 60 ASP CB C 60 42.949 42.949 41.393 1.556 17613 329 1 1 . 1 1 60 60 ASP H H 60 7.857 7.857 7.460 0.397 17613 330 1 1 . 1 1 61 61 LYS N N 61 125.818 125.818 124.913 0.905 17613 331 1 1 . 1 1 61 61 LYS HA H 61 3.722 3.722 3.952 -0.230 17613 332 1 1 . 1 1 61 61 LYS C C 61 177.673 177.673 178.459 -0.786 17613 333 1 1 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.837 -0.205 17613 334 1 1 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.123 -0.605 17613 335 1 1 . 1 1 61 61 LYS H H 61 8.904 8.904 8.676 0.228 17613 336 1 1 . 1 1 62 62 GLN N N 62 118.918 118.918 119.789 -0.871 17613 337 1 1 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.178 -0.073 17613 338 1 1 . 1 1 62 62 GLN C C 62 178.747 178.747 177.629 1.118 17613 339 1 1 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.706 -0.405 17613 340 1 1 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.774 -0.326 17613 341 1 1 . 1 1 62 62 GLN H H 62 8.434 8.434 8.435 -0.001 17613 342 1 1 . 1 1 63 63 LEU N N 63 120.071 120.071 118.790 1.281 17613 343 1 1 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.145 -0.011 17613 344 1 1 . 1 1 63 63 LEU C C 63 178.552 178.552 179.458 -0.906 17613 345 1 1 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.071 -0.428 17613 346 1 1 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.438 -0.544 17613 347 1 1 . 1 1 63 63 LEU H H 63 7.671 7.671 7.529 0.142 17613 348 1 1 . 1 1 64 64 LEU N N 64 117.705 117.705 120.947 -3.242 17613 349 1 1 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.939 -0.032 17613 350 1 1 . 1 1 64 64 LEU C C 64 172.526 172.526 178.301 -5.775 17613 351 1 1 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.599 -0.821 17613 352 1 1 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.898 -0.548 17613 353 1 1 . 1 1 64 64 LEU H H 64 7.626 7.626 8.019 -0.393 17613 354 1 1 . 1 1 65 65 LYS N N 65 118.311 118.311 119.307 -0.996 17613 355 1 1 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.843 -0.049 17613 356 1 1 . 1 1 65 65 LYS C C 65 178.479 178.479 179.124 -0.645 17613 357 1 1 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.289 -0.063 17613 358 1 1 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.234 0.032 17613 359 1 1 . 1 1 65 65 LYS H H 65 8.038 8.038 7.997 0.041 17613 360 1 1 . 1 1 66 66 GLU N N 66 119.362 119.362 118.849 0.513 17613 361 1 1 . 1 1 66 66 GLU HA H 66 4.026 4.026 3.958 0.068 17613 362 1 1 . 1 1 66 66 GLU C C 66 178.893 178.893 179.044 -0.151 17613 363 1 1 . 1 1 66 66 GLU CA C 66 59.119 59.119 59.043 0.076 17613 364 1 1 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.511 -0.249 17613 365 1 1 . 1 1 66 66 GLU H H 66 7.803 7.803 7.862 -0.059 17613 366 1 1 . 1 1 67 67 MET N N 67 118.398 118.398 120.262 -1.864 17613 367 1 1 . 1 1 67 67 MET HA H 67 3.948 3.948 4.154 -0.206 17613 368 1 1 . 1 1 67 67 MET C C 67 177.527 177.527 178.075 -0.548 17613 369 1 1 . 1 1 67 67 MET CA C 67 59.963 59.963 58.253 1.710 17613 370 1 1 . 1 1 67 67 MET CB C 67 33.443 33.443 32.340 1.103 17613 371 1 1 . 1 1 67 67 MET H H 67 8.394 8.394 8.031 0.363 17613 372 1 1 . 1 1 68 68 LEU N N 68 118.269 118.269 118.529 -0.260 17613 373 1 1 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.922 -0.143 17613 374 1 1 . 1 1 68 68 LEU C C 68 178.869 178.869 179.273 -0.404 17613 375 1 1 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.535 0.406 17613 376 1 1 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.067 -0.192 17613 377 1 1 . 1 1 68 68 LEU H H 68 8.471 8.471 8.213 0.258 17613 378 1 1 . 1 1 69 69 GLU N N 69 118.681 118.681 119.679 -0.998 17613 379 1 1 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.024 0.031 17613 380 1 1 . 1 1 69 69 GLU C C 69 179.063 179.063 179.273 -0.210 17613 381 1 1 . 1 1 69 69 GLU CA C 69 59.424 59.424 58.858 0.566 17613 382 1 1 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.220 -0.080 17613 383 1 1 . 1 1 69 69 GLU H H 69 7.627 7.627 7.909 -0.282 17613 384 1 1 . 1 1 70 70 LEU N N 70 119.503 119.503 120.344 -0.841 17613 385 1 1 . 1 1 70 70 LEU HA H 70 4.161 4.161 3.955 0.206 17613 386 1 1 . 1 1 70 70 LEU C C 70 179.699 179.699 179.353 0.346 17613 387 1 1 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.939 -0.165 17613 388 1 1 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.872 0.072 17613 389 1 1 . 1 1 70 70 LEU H H 70 7.717 7.717 7.947 -0.230 17613 390 1 1 . 1 1 71 71 ILE N N 71 116.791 116.791 118.144 -1.353 17613 391 1 1 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.565 0.172 17613 392 1 1 . 1 1 71 71 ILE C C 71 178.357 178.357 178.272 0.085 17613 393 1 1 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.023 -0.782 17613 394 1 1 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.819 0.082 17613 395 1 1 . 1 1 71 71 ILE H H 71 8.598 8.598 8.262 0.336 17613 396 1 1 . 1 1 72 72 SER N N 72 116.517 116.517 115.040 1.477 17613 397 1 1 . 1 1 72 72 SER HA H 72 4.365 4.365 4.223 0.142 17613 398 1 1 . 1 1 72 72 SER C C 72 176.845 176.845 176.075 0.770 17613 399 1 1 . 1 1 72 72 SER CA C 72 61.365 61.365 61.153 0.212 17613 400 1 1 . 1 1 72 72 SER CB C 72 62.780 62.780 63.140 -0.360 17613 401 1 1 . 1 1 72 72 SER H H 72 8.023 8.023 7.969 0.054 17613 402 1 1 . 1 1 73 73 LYS N N 73 120.731 120.731 119.502 1.229 17613 403 1 1 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.122 0.169 17613 404 1 1 . 1 1 73 73 LYS C C 73 177.771 177.771 177.586 0.185 17613 405 1 1 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.797 -0.321 17613 406 1 1 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.181 -0.035 17613 407 1 1 . 1 1 73 73 LYS H H 73 7.723 7.723 7.688 0.035 17613 408 1 1 . 1 1 74 74 LEU N N 74 117.572 117.572 116.552 1.020 17613 409 1 1 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.269 -0.042 17613 410 1 1 . 1 1 74 74 LEU C C 74 177.332 177.332 177.553 -0.221 17613 411 1 1 . 1 1 74 74 LEU CA C 74 55.199 55.199 54.419 0.780 17613 412 1 1 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.044 -0.558 17613 413 1 1 . 1 1 74 74 LEU H H 74 7.609 7.609 7.057 0.552 17613 414 1 1 . 1 1 75 75 GLY N N 75 105.991 105.991 107.160 -1.169 17613 415 1 1 . 1 1 75 75 GLY C C 75 174.771 174.771 174.701 0.070 17613 416 1 1 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.719 0.123 17613 417 1 1 . 1 1 75 75 GLY H H 75 7.925 7.925 7.678 0.247 17613 418 1 1 . 1 1 76 76 TYR N N 76 118.452 118.452 118.464 -0.012 17613 419 1 1 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.369 0.409 17613 420 1 1 . 1 1 76 76 TYR C C 76 175.234 175.234 175.742 -0.508 17613 421 1 1 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.010 -0.506 17613 422 1 1 . 1 1 76 76 TYR CB C 76 37.962 37.962 39.106 -1.144 17613 423 1 1 . 1 1 76 76 TYR H H 76 7.366 7.366 7.455 -0.089 17613 424 1 1 . 1 1 77 77 LYS N N 77 122.866 122.866 123.824 -0.958 17613 425 1 1 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.324 0.224 17613 426 1 1 . 1 1 77 77 LYS C C 77 174.138 174.138 174.953 -0.815 17613 427 1 1 . 1 1 77 77 LYS CA C 77 55.070 55.070 56.140 -1.070 17613 428 1 1 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.792 -0.575 17613 429 1 1 . 1 1 77 77 LYS H H 77 8.290 8.290 8.715 -0.425 17613 430 1 1 . 1 1 78 78 VAL N N 78 124.071 124.071 124.761 -0.690 17613 431 1 1 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.021 0.145 17613 432 1 1 . 1 1 78 78 VAL C C 78 174.162 174.162 174.711 -0.549 17613 433 1 1 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.032 -0.803 17613 434 1 1 . 1 1 78 78 VAL CB C 78 34.355 34.355 35.045 -0.690 17613 435 1 1 . 1 1 78 78 VAL H H 78 7.830 7.830 8.080 -0.250 17613 436 1 1 . 1 1 79 79 PHE N N 79 126.174 126.174 124.626 1.548 17613 437 1 1 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.374 0.193 17613 438 1 1 . 1 1 79 79 PHE C C 79 173.357 173.357 173.996 -0.639 17613 439 1 1 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.392 -0.439 17613 440 1 1 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.695 -0.511 17613 441 1 1 . 1 1 79 79 PHE H H 79 8.374 8.374 8.099 0.275 17613 442 1 1 . 1 1 80 80 LEU N N 80 123.959 123.959 126.130 -2.171 17613 443 1 1 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.524 0.022 17613 444 1 1 . 1 1 80 80 LEU C C 80 173.503 173.503 174.861 -1.358 17613 445 1 1 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.189 0.809 17613 446 1 1 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.282 0.385 17613 447 1 1 . 1 1 80 80 LEU H H 80 8.601 8.601 8.931 -0.330 17613 448 1 1 . 1 1 81 81 LEU N N 81 126.694 126.694 129.110 -2.416 17613 449 1 1 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.185 0.084 17613 450 1 1 . 1 1 81 81 LEU C C 81 173.649 173.649 174.486 -0.837 17613 451 1 1 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.645 -0.581 17613 452 1 1 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.896 0.881 17613 453 1 1 . 1 1 81 81 LEU H H 81 9.063 9.063 9.031 0.032 17613 454 1 1 . 1 1 82 82 LEU N N 82 124.888 124.888 127.923 -3.035 17613 455 1 1 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.930 -0.019 17613 456 1 1 . 1 1 82 82 LEU C C 82 174.479 174.479 175.153 -0.674 17613 457 1 1 . 1 1 82 82 LEU CA C 82 53.135 53.135 54.064 -0.929 17613 458 1 1 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.491 0.731 17613 459 1 1 . 1 1 82 82 LEU H H 82 8.864 8.864 9.068 -0.204 17613 460 1 1 . 1 1 83 83 GLN N N 83 122.153 122.153 124.009 -1.856 17613 461 1 1 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.081 0.179 17613 462 1 1 . 1 1 83 83 GLN C C 83 174.333 174.333 173.728 0.605 17613 463 1 1 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.658 -0.073 17613 464 1 1 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.680 -1.810 17613 465 1 1 . 1 1 83 83 GLN H H 83 8.437 8.437 8.688 -0.251 17613 466 1 1 . 1 1 84 84 ASP N N 84 124.451 124.451 126.018 -1.567 17613 467 1 1 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.900 -0.398 17613 468 1 1 . 1 1 84 84 ASP C C 84 174.308 174.308 175.275 -0.967 17613 469 1 1 . 1 1 84 84 ASP CA C 84 54.015 54.015 52.700 1.315 17613 470 1 1 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.329 -0.558 17613 471 1 1 . 1 1 84 84 ASP H H 84 8.205 8.205 8.500 -0.295 17613 472 1 1 . 1 1 85 85 GLN N N 85 120.202 120.202 122.843 -2.641 17613 473 1 1 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.166 0.168 17613 474 1 1 . 1 1 85 85 GLN C C 85 175.431 175.431 175.994 -0.563 17613 475 1 1 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.346 -0.751 17613 476 1 1 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.360 -0.026 17613 477 1 1 . 1 1 85 85 GLN H H 85 8.617 8.617 8.617 -0.000 17613 478 1 1 . 1 1 86 86 ASP N N 86 120.508 120.508 119.688 0.820 17613 479 1 1 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.704 -0.019 17613 480 1 1 . 1 1 86 86 ASP C C 86 175.747 175.747 176.483 -0.736 17613 481 1 1 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.751 -0.239 17613 482 1 1 . 1 1 86 86 ASP CB C 86 40.957 40.957 41.953 -0.995 17613 483 1 1 . 1 1 86 86 ASP H H 86 8.691 8.691 8.077 0.614 17613 484 1 1 . 1 1 87 87 GLU N N 87 123.604 123.604 125.469 -1.865 17613 485 1 1 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.139 -0.104 17613 486 1 1 . 1 1 87 87 GLU C C 87 177.771 177.771 177.099 0.672 17613 487 1 1 . 1 1 87 87 GLU CA C 87 58.522 58.522 58.739 -0.217 17613 488 1 1 . 1 1 87 87 GLU CB C 87 29.575 29.575 30.102 -0.527 17613 489 1 1 . 1 1 87 87 GLU H H 87 8.642 8.642 8.809 -0.167 17613 490 1 1 . 1 1 88 88 ASN N N 88 118.838 118.838 116.716 2.122 17613 491 1 1 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.584 -0.023 17613 492 1 1 . 1 1 88 88 ASN C C 88 177.089 177.089 176.445 0.644 17613 493 1 1 . 1 1 88 88 ASN CA C 88 55.642 55.642 55.722 -0.080 17613 494 1 1 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.880 0.286 17613 495 1 1 . 1 1 88 88 ASN H H 88 8.527 8.527 8.609 -0.082 17613 496 1 1 . 1 1 89 89 GLU N N 89 120.947 120.947 119.762 1.185 17613 497 1 1 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.330 -0.183 17613 498 1 1 . 1 1 89 89 GLU C C 89 178.357 178.357 178.348 0.009 17613 499 1 1 . 1 1 89 89 GLU CA C 89 58.251 58.251 57.951 0.300 17613 500 1 1 . 1 1 89 89 GLU CB C 89 29.244 29.244 30.114 -0.871 17613 501 1 1 . 1 1 89 89 GLU H H 89 8.221 8.221 7.822 0.399 17613 502 1 1 . 1 1 90 90 LEU N N 90 119.582 119.582 120.928 -1.346 17613 503 1 1 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.064 0.141 17613 504 1 1 . 1 1 90 90 LEU C C 90 177.917 177.917 178.693 -0.776 17613 505 1 1 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.532 -1.589 17613 506 1 1 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.780 0.676 17613 507 1 1 . 1 1 90 90 LEU H H 90 8.047 8.047 8.337 -0.290 17613 508 1 1 . 1 1 91 91 GLU N N 91 119.029 119.029 118.367 0.662 17613 509 1 1 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.012 0.061 17613 510 1 1 . 1 1 91 91 GLU C C 91 178.284 178.284 178.719 -0.435 17613 511 1 1 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.617 -0.488 17613 512 1 1 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.144 -0.174 17613 513 1 1 . 1 1 91 91 GLU H H 91 7.940 7.940 7.929 0.011 17613 514 1 1 . 1 1 92 92 GLU N N 92 118.667 118.667 119.416 -0.749 17613 515 1 1 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.065 -0.033 17613 516 1 1 . 1 1 92 92 GLU C C 92 178.103 178.103 179.256 -1.153 17613 517 1 1 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.122 0.130 17613 518 1 1 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.125 -0.193 17613 519 1 1 . 1 1 92 92 GLU H H 92 8.088 8.088 8.205 -0.117 17613 520 1 1 . 1 1 93 93 PHE N N 93 120.118 120.118 120.250 -0.132 17613 521 1 1 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.219 0.121 17613 522 1 1 . 1 1 93 93 PHE C C 93 176.894 176.894 177.117 -0.223 17613 523 1 1 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.334 0.111 17613 524 1 1 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.385 -0.398 17613 525 1 1 . 1 1 93 93 PHE H H 93 8.103 8.103 8.398 -0.295 17613 526 1 1 . 1 1 94 94 LYS N N 94 118.941 118.941 120.512 -1.571 17613 527 1 1 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.749 -0.132 17613 528 1 1 . 1 1 94 94 LYS C C 94 177.600 177.600 178.457 -0.857 17613 529 1 1 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.937 0.139 17613 530 1 1 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.467 -0.002 17613 531 1 1 . 1 1 94 94 LYS H H 94 8.606 8.606 8.156 0.450 17613 532 1 1 . 1 1 95 95 ARG N N 95 117.194 117.194 117.137 0.057 17613 533 1 1 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.202 -0.052 17613 534 1 1 . 1 1 95 95 ARG C C 95 179.404 179.404 178.847 0.557 17613 535 1 1 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.558 0.545 17613 536 1 1 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.726 0.093 17613 537 1 1 . 1 1 95 95 ARG H H 95 8.159 8.159 7.989 0.171 17613 538 1 1 . 1 1 96 96 LYS N N 96 119.582 119.582 120.130 -0.548 17613 539 1 1 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.037 0.028 17613 540 1 1 . 1 1 96 96 LYS C C 96 179.034 179.034 178.285 0.749 17613 541 1 1 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.151 -0.217 17613 542 1 1 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.127 -0.058 17613 543 1 1 . 1 1 96 96 LYS H H 96 7.786 7.786 7.500 0.286 17613 544 1 1 . 1 1 97 97 ILE N N 97 118.550 118.550 117.738 0.812 17613 545 1 1 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.717 0.221 17613 546 1 1 . 1 1 97 97 ILE C C 97 178.284 178.284 177.114 1.170 17613 547 1 1 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.884 -1.315 17613 548 1 1 . 1 1 97 97 ILE CB C 97 37.206 37.206 38.079 -0.873 17613 549 1 1 . 1 1 97 97 ILE H H 97 7.831 7.831 7.275 0.556 17613 550 1 1 . 1 1 98 98 GLU N N 98 121.984 121.984 121.260 0.724 17613 551 1 1 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.126 0.210 17613 552 1 1 . 1 1 98 98 GLU C C 98 180.040 180.040 179.352 0.688 17613 553 1 1 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.911 0.039 17613 554 1 1 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.636 -0.201 17613 555 1 1 . 1 1 98 98 GLU H H 98 8.670 8.670 8.318 0.352 17613 556 1 1 . 1 1 99 99 SER N N 99 115.499 115.499 115.552 -0.053 17613 557 1 1 . 1 1 99 99 SER HA H 99 4.343 4.343 4.271 0.072 17613 558 1 1 . 1 1 99 99 SER C C 99 174.820 174.820 176.012 -1.192 17613 559 1 1 . 1 1 99 99 SER CA C 99 60.410 60.410 60.839 -0.429 17613 560 1 1 . 1 1 99 99 SER CB C 99 62.680 62.680 62.890 -0.210 17613 561 1 1 . 1 1 99 99 SER H H 99 8.099 8.099 7.913 0.186 17613 562 1 1 . 1 1 100 100 GLN N N 100 119.301 119.301 118.273 1.028 17613 563 1 1 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.434 -0.124 17613 564 1 1 . 1 1 100 100 GLN C C 100 175.857 175.857 176.086 -0.229 17613 565 1 1 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.611 0.315 17613 566 1 1 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.058 0.154 17613 567 1 1 . 1 1 100 100 GLN H H 100 7.623 7.623 7.807 -0.184 17613 568 1 1 . 1 1 101 101 GLY N N 101 105.765 105.765 106.446 -0.681 17613 569 1 1 . 1 1 101 101 GLY C C 101 173.748 173.748 174.948 -1.200 17613 570 1 1 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.213 -0.010 17613 571 1 1 . 1 1 101 101 GLY H H 101 7.945 7.945 7.759 0.186 17613 572 1 1 . 1 1 102 102 TYR N N 102 117.993 117.993 119.415 -1.422 17613 573 1 1 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.179 0.492 17613 574 1 1 . 1 1 102 102 TYR C C 102 174.747 174.747 175.844 -1.097 17613 575 1 1 . 1 1 102 102 TYR CA C 102 56.254 56.254 58.745 -2.491 17613 576 1 1 . 1 1 102 102 TYR CB C 102 39.048 39.048 38.765 0.283 17613 577 1 1 . 1 1 102 102 TYR H H 102 6.890 6.890 7.528 -0.638 17613 578 1 1 . 1 1 103 103 GLU N N 103 122.864 122.864 124.172 -1.308 17613 579 1 1 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.274 0.233 17613 580 1 1 . 1 1 103 103 GLU C C 103 174.162 174.162 174.948 -0.786 17613 581 1 1 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.200 0.184 17613 582 1 1 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.598 1.773 17613 583 1 1 . 1 1 103 103 GLU H H 103 8.318 8.318 8.792 -0.474 17613 584 1 1 . 1 1 104 104 VAL N N 104 124.342 124.342 126.218 -1.876 17613 585 1 1 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.737 0.491 17613 586 1 1 . 1 1 104 104 VAL C C 104 174.235 174.235 175.744 -1.509 17613 587 1 1 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.044 -1.764 17613 588 1 1 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.212 0.955 17613 589 1 1 . 1 1 104 104 VAL H H 104 8.651 8.651 7.901 0.750 17613 590 1 1 . 1 1 105 105 ARG N N 105 124.856 124.856 127.026 -2.170 17613 591 1 1 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.820 0.095 17613 592 1 1 . 1 1 105 105 ARG C C 105 173.917 173.917 175.171 -1.254 17613 593 1 1 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.207 -0.742 17613 594 1 1 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.181 -0.226 17613 595 1 1 . 1 1 105 105 ARG H H 105 8.705 8.705 8.782 -0.077 17613 596 1 1 . 1 1 106 106 LYS N N 106 121.499 121.499 122.297 -0.798 17613 597 1 1 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.357 0.221 17613 598 1 1 . 1 1 106 106 LYS C C 106 174.820 174.820 176.028 -1.208 17613 599 1 1 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.508 -1.640 17613 600 1 1 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.360 0.939 17613 601 1 1 . 1 1 106 106 LYS H H 106 8.807 8.807 8.525 0.282 17613 602 1 1 . 1 1 107 107 VAL N N 107 118.792 118.792 120.163 -1.371 17613 603 1 1 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.485 0.130 17613 604 1 1 . 1 1 107 107 VAL C C 107 173.332 173.332 174.350 -1.018 17613 605 1 1 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.667 -0.445 17613 606 1 1 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.215 0.019 17613 607 1 1 . 1 1 107 107 VAL H H 107 8.555 8.555 8.151 0.404 17613 608 1 1 . 1 1 108 108 THR N N 108 114.072 114.072 114.824 -0.752 17613 609 1 1 . 1 1 108 108 THR HA H 108 4.781 4.781 4.574 0.207 17613 610 1 1 . 1 1 108 108 THR C C 108 174.625 174.625 173.690 0.935 17613 611 1 1 . 1 1 108 108 THR CA C 108 62.221 62.221 61.894 0.327 17613 612 1 1 . 1 1 108 108 THR CB C 108 69.975 69.975 69.531 0.443 17613 613 1 1 . 1 1 108 108 THR H H 108 8.604 8.604 8.330 0.274 17613 614 1 1 . 1 1 109 109 ASP N N 109 122.574 122.574 124.224 -1.650 17613 615 1 1 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.765 -0.027 17613 616 1 1 . 1 1 109 109 ASP C C 109 175.796 175.796 176.877 -1.081 17613 617 1 1 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.516 -0.667 17613 618 1 1 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.308 1.380 17613 619 1 1 . 1 1 109 109 ASP H H 109 8.036 8.036 7.994 0.042 17613 620 1 1 . 1 1 110 110 ASP N N 110 122.852 122.852 124.127 -1.275 17613 621 1 1 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.343 -0.248 17613 622 1 1 . 1 1 110 110 ASP C C 110 177.527 177.527 177.589 -0.062 17613 623 1 1 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.232 0.156 17613 624 1 1 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.607 -0.306 17613 625 1 1 . 1 1 110 110 ASP H H 110 8.696 8.696 8.813 -0.117 17613 626 1 1 . 1 1 111 111 GLU N N 111 119.144 119.144 119.440 -0.296 17613 627 1 1 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.091 -0.103 17613 628 1 1 . 1 1 111 111 GLU C C 111 179.942 179.942 178.761 1.181 17613 629 1 1 . 1 1 111 111 GLU CA C 111 59.357 59.357 58.845 0.512 17613 630 1 1 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.307 -0.811 17613 631 1 1 . 1 1 111 111 GLU H H 111 8.213 8.213 8.450 -0.237 17613 632 1 1 . 1 1 112 112 GLU N N 112 121.400 121.400 119.670 1.730 17613 633 1 1 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.096 -0.099 17613 634 1 1 . 1 1 112 112 GLU C C 112 178.430 178.430 177.995 0.435 17613 635 1 1 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.640 0.109 17613 636 1 1 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.909 0.285 17613 637 1 1 . 1 1 112 112 GLU H H 112 8.234 8.234 8.367 -0.133 17613 638 1 1 . 1 1 113 113 ALA N N 113 120.316 120.316 122.158 -1.842 17613 639 1 1 . 1 1 113 113 ALA HA H 113 3.800 3.800 3.997 -0.197 17613 640 1 1 . 1 1 113 113 ALA C C 113 178.430 178.430 179.783 -1.353 17613 641 1 1 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.080 0.302 17613 642 1 1 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.069 0.533 17613 643 1 1 . 1 1 113 113 ALA H H 113 8.118 8.118 7.732 0.386 17613 644 1 1 . 1 1 114 114 LEU N N 114 116.901 116.901 116.085 0.816 17613 645 1 1 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.870 -0.157 17613 646 1 1 . 1 1 114 114 LEU C C 114 178.431 178.431 178.896 -0.465 17613 647 1 1 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.392 0.283 17613 648 1 1 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.416 -0.480 17613 649 1 1 . 1 1 114 114 LEU H H 114 7.743 7.743 7.584 0.159 17613 650 1 1 . 1 1 115 115 LYS N N 115 119.066 119.066 118.077 0.989 17613 651 1 1 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.063 -0.263 17613 652 1 1 . 1 1 115 115 LYS C C 115 179.404 179.404 178.981 0.423 17613 653 1 1 . 1 1 115 115 LYS CA C 115 59.883 59.883 58.091 1.792 17613 654 1 1 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.779 0.399 17613 655 1 1 . 1 1 115 115 LYS H H 115 7.617 7.617 7.141 0.476 17613 656 1 1 . 1 1 116 116 ILE N N 116 120.613 120.613 120.378 0.235 17613 657 1 1 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.850 -0.390 17613 658 1 1 . 1 1 116 116 ILE C C 116 177.016 177.016 177.790 -0.774 17613 659 1 1 . 1 1 116 116 ILE CA C 116 64.122 64.122 63.142 0.981 17613 660 1 1 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.553 -0.230 17613 661 1 1 . 1 1 116 116 ILE H H 116 8.004 8.004 7.997 0.007 17613 662 1 1 . 1 1 117 117 VAL N N 117 120.234 120.234 119.489 0.745 17613 663 1 1 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.410 -0.150 17613 664 1 1 . 1 1 117 117 VAL C C 117 177.746 177.746 178.134 -0.388 17613 665 1 1 . 1 1 117 117 VAL CA C 117 67.505 67.505 66.332 1.173 17613 666 1 1 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.371 0.382 17613 667 1 1 . 1 1 117 117 VAL H H 117 8.121 8.121 7.778 0.343 17613 668 1 1 . 1 1 118 118 ARG N N 118 118.415 118.415 119.216 -0.801 17613 669 1 1 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.917 -0.024 17613 670 1 1 . 1 1 118 118 ARG C C 118 178.966 178.966 178.725 0.241 17613 671 1 1 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.802 0.367 17613 672 1 1 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.747 -0.045 17613 673 1 1 . 1 1 118 118 ARG H H 118 8.026 8.026 7.408 0.618 17613 674 1 1 . 1 1 119 119 GLU N N 119 122.419 122.419 120.215 2.204 17613 675 1 1 . 1 1 119 119 GLU HA H 119 4.027 4.027 3.948 0.079 17613 676 1 1 . 1 1 119 119 GLU C C 119 179.429 179.429 178.994 0.435 17613 677 1 1 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.336 0.194 17613 678 1 1 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.382 -0.421 17613 679 1 1 . 1 1 119 119 GLU H H 119 7.918 7.918 7.573 0.345 17613 680 1 1 . 1 1 120 120 PHE N N 120 119.597 119.597 118.489 1.108 17613 681 1 1 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.766 0.256 17613 682 1 1 . 1 1 120 120 PHE C C 120 177.698 177.698 177.981 -0.283 17613 683 1 1 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.337 -2.469 17613 684 1 1 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.054 -1.301 17613 685 1 1 . 1 1 120 120 PHE H H 120 8.826 8.826 7.693 1.133 17613 686 1 1 . 1 1 121 121 MET N N 121 116.596 116.596 116.996 -0.400 17613 687 1 1 . 1 1 121 121 MET HA H 121 3.931 3.931 3.558 0.373 17613 688 1 1 . 1 1 121 121 MET C C 121 179.577 179.577 178.620 0.957 17613 689 1 1 . 1 1 121 121 MET CA C 121 59.785 59.785 58.974 0.811 17613 690 1 1 . 1 1 121 121 MET CB C 121 33.643 33.643 32.067 1.576 17613 691 1 1 . 1 1 121 121 MET H H 121 8.317 8.317 8.300 0.017 17613 692 1 1 . 1 1 122 122 GLN N N 122 120.565 120.565 119.724 0.841 17613 693 1 1 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.978 0.157 17613 694 1 1 . 1 1 122 122 GLN C C 122 178.893 178.893 177.800 1.093 17613 695 1 1 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.163 -0.418 17613 696 1 1 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.778 -0.758 17613 697 1 1 . 1 1 122 122 GLN H H 122 8.054 8.054 7.862 0.192 17613 698 1 1 . 1 1 123 123 LYS N N 123 121.605 121.605 119.336 2.269 17613 699 1 1 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.039 -0.014 17613 700 1 1 . 1 1 123 123 LYS C C 123 179.307 179.307 178.894 0.413 17613 701 1 1 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.972 0.271 17613 702 1 1 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.355 -0.049 17613 703 1 1 . 1 1 123 123 LYS H H 123 8.400 8.400 7.961 0.439 17613 704 1 1 . 1 1 124 124 ALA N N 124 121.873 121.873 120.805 1.068 17613 705 1 1 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.139 0.005 17613 706 1 1 . 1 1 124 124 ALA C C 124 179.112 179.112 179.201 -0.089 17613 707 1 1 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.508 0.144 17613 708 1 1 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.276 0.658 17613 709 1 1 . 1 1 124 124 ALA H H 124 8.601 8.601 7.844 0.757 17613 710 1 1 . 1 1 125 125 GLY N N 125 104.755 104.755 106.258 -1.503 17613 711 1 1 . 1 1 125 125 GLY C C 125 175.553 175.553 176.104 -0.551 17613 712 1 1 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.148 -0.857 17613 713 1 1 . 1 1 125 125 GLY H H 125 7.949 7.949 8.087 -0.138 17613 714 1 1 . 1 1 126 126 SER N N 126 116.080 116.080 116.351 -0.271 17613 715 1 1 . 1 1 126 126 SER HA H 126 4.447 4.447 3.587 0.860 17613 716 1 1 . 1 1 126 126 SER C C 126 175.504 175.504 175.661 -0.157 17613 717 1 1 . 1 1 126 126 SER CA C 126 59.965 59.965 61.411 -1.446 17613 718 1 1 . 1 1 126 126 SER CB C 126 63.460 63.460 62.798 0.662 17613 719 1 1 . 1 1 126 126 SER H H 126 7.861 7.861 7.581 0.280 17613 720 1 1 . 1 1 127 127 LEU N N 127 122.372 122.372 120.483 1.889 17613 721 1 1 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.240 0.042 17613 722 1 1 . 1 1 127 127 LEU C C 127 177.990 177.990 178.433 -0.443 17613 723 1 1 . 1 1 127 127 LEU CA C 127 56.217 56.217 57.414 -1.197 17613 724 1 1 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.770 0.303 17613 725 1 1 . 1 1 127 127 LEU H H 127 7.882 7.882 7.221 0.661 17613 726 1 1 . 1 1 128 128 GLU N N 128 119.775 119.775 120.332 -0.557 17613 727 1 1 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.151 -0.243 17613 728 1 1 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.192 -0.581 17613 729 1 1 . 1 1 128 128 GLU CB C 128 29.830 29.830 30.290 -0.460 17613 730 1 1 . 1 1 128 128 GLU H H 128 8.084 8.084 7.715 0.369 17613 731 1 1 . 1 1 131 131 HIS N N 131 125.272 125.272 126.822 -1.550 17613 732 1 1 . 1 1 131 131 HIS H H 131 8.059 8.059 8.224 -0.165 17613 733 1 2 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.562 0.264 17613 734 1 2 . 1 1 3 3 ILE C C 3 173.405 173.405 174.768 -1.363 17613 735 1 2 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.621 -1.065 17613 736 1 2 . 1 1 3 3 ILE CB C 3 40.508 40.508 38.509 1.999 17613 737 1 2 . 1 1 3 3 ILE H H 3 8.444 8.444 8.581 -0.137 17613 738 1 2 . 1 1 4 4 LEU N N 4 127.785 127.785 128.626 -0.841 17613 739 1 2 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.393 0.066 17613 740 1 2 . 1 1 4 4 LEU C C 4 174.832 174.832 176.554 -1.722 17613 741 1 2 . 1 1 4 4 LEU CA C 4 53.341 53.341 52.989 0.352 17613 742 1 2 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.566 1.747 17613 743 1 2 . 1 1 4 4 LEU H H 4 9.081 9.081 8.243 0.838 17613 744 1 2 . 1 1 5 5 ILE N N 5 123.010 123.010 124.928 -1.918 17613 745 1 2 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.449 0.384 17613 746 1 2 . 1 1 5 5 ILE C C 5 173.357 173.357 175.092 -1.735 17613 747 1 2 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.408 1.136 17613 748 1 2 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.214 3.318 17613 749 1 2 . 1 1 5 5 ILE H H 5 8.765 8.765 8.467 0.298 17613 750 1 2 . 1 1 6 6 LEU N N 6 129.320 129.320 130.220 -0.900 17613 751 1 2 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.049 0.297 17613 752 1 2 . 1 1 6 6 LEU C C 6 174.795 174.795 175.331 -0.536 17613 753 1 2 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.530 -0.530 17613 754 1 2 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.134 1.394 17613 755 1 2 . 1 1 6 6 LEU H H 6 9.235 9.235 8.351 0.884 17613 756 1 2 . 1 1 7 7 ILE N N 7 120.746 120.746 125.597 -4.851 17613 757 1 2 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.626 0.555 17613 758 1 2 . 1 1 7 7 ILE C C 7 173.819 173.819 173.920 -0.101 17613 759 1 2 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.491 -2.276 17613 760 1 2 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.075 -0.921 17613 761 1 2 . 1 1 7 7 ILE H H 7 8.931 8.931 8.962 -0.031 17613 762 1 2 . 1 1 8 8 ASN N N 8 125.539 125.539 126.706 -1.167 17613 763 1 2 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.779 0.123 17613 764 1 2 . 1 1 8 8 ASN C C 8 176.478 176.478 173.734 2.744 17613 765 1 2 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.123 -1.020 17613 766 1 2 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.118 1.464 17613 767 1 2 . 1 1 8 8 ASN H H 8 8.634 8.634 9.024 -0.390 17613 768 1 2 . 1 1 9 9 THR N N 9 118.493 118.493 120.191 -1.698 17613 769 1 2 . 1 1 9 9 THR HA H 9 4.739 4.739 4.751 -0.012 17613 770 1 2 . 1 1 9 9 THR C C 9 170.114 170.114 174.017 -3.903 17613 771 1 2 . 1 1 9 9 THR CA C 9 60.689 60.689 59.246 1.443 17613 772 1 2 . 1 1 9 9 THR CB C 9 67.766 67.766 70.376 -2.611 17613 773 1 2 . 1 1 9 9 THR H H 9 8.044 8.044 7.854 0.190 17613 774 1 2 . 1 1 10 10 ASN N N 10 123.266 123.266 126.294 -3.028 17613 775 1 2 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.791 0.176 17613 776 1 2 . 1 1 10 10 ASN C C 10 174.601 174.601 174.792 -0.191 17613 777 1 2 . 1 1 10 10 ASN CA C 10 51.844 51.844 53.831 -1.988 17613 778 1 2 . 1 1 10 10 ASN CB C 10 39.316 39.316 38.922 0.394 17613 779 1 2 . 1 1 10 10 ASN H H 10 8.440 8.440 8.857 -0.417 17613 780 1 2 . 1 1 11 11 ASN N N 11 120.920 120.920 120.146 0.774 17613 781 1 2 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.819 -0.126 17613 782 1 2 . 1 1 11 11 ASN C C 11 174.333 174.333 175.036 -0.703 17613 783 1 2 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.770 -0.334 17613 784 1 2 . 1 1 11 11 ASN CB C 11 38.349 38.349 38.858 -0.510 17613 785 1 2 . 1 1 11 11 ASN H H 11 8.366 8.366 7.612 0.754 17613 786 1 2 . 1 1 12 12 ASP N N 12 126.315 126.315 125.179 1.136 17613 787 1 2 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.258 0.015 17613 788 1 2 . 1 1 12 12 ASP C C 12 178.089 178.089 177.979 0.110 17613 789 1 2 . 1 1 12 12 ASP CA C 12 57.608 57.608 58.349 -0.741 17613 790 1 2 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.661 0.500 17613 791 1 2 . 1 1 12 12 ASP H H 12 8.586 8.586 9.000 -0.414 17613 792 1 2 . 1 1 13 13 GLU N N 13 119.325 119.325 120.092 -0.767 17613 793 1 2 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.062 -0.036 17613 794 1 2 . 1 1 13 13 GLU C C 13 178.893 178.893 178.714 0.179 17613 795 1 2 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.179 -0.173 17613 796 1 2 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.369 -0.660 17613 797 1 2 . 1 1 13 13 GLU H H 13 8.289 8.289 8.701 -0.412 17613 798 1 2 . 1 1 14 14 LEU N N 14 121.683 121.683 118.802 2.881 17613 799 1 2 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.165 -0.180 17613 800 1 2 . 1 1 14 14 LEU C C 14 178.309 178.309 179.139 -0.830 17613 801 1 2 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.682 0.579 17613 802 1 2 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.962 -0.857 17613 803 1 2 . 1 1 14 14 LEU H H 14 7.577 7.577 7.460 0.117 17613 804 1 2 . 1 1 15 15 ILE N N 15 119.483 119.483 120.516 -1.033 17613 805 1 2 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.520 -0.301 17613 806 1 2 . 1 1 15 15 ILE C C 15 177.138 177.138 177.625 -0.487 17613 807 1 2 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.874 0.716 17613 808 1 2 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.519 -0.095 17613 809 1 2 . 1 1 15 15 ILE H H 15 8.238 8.238 7.851 0.387 17613 810 1 2 . 1 1 16 16 LYS N N 16 117.596 117.596 118.749 -1.153 17613 811 1 2 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.984 -0.141 17613 812 1 2 . 1 1 16 16 LYS C C 16 179.577 179.577 179.116 0.461 17613 813 1 2 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.373 0.796 17613 814 1 2 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.950 0.214 17613 815 1 2 . 1 1 16 16 LYS H H 16 7.604 7.604 7.748 -0.144 17613 816 1 2 . 1 1 17 17 LYS N N 17 118.832 118.832 119.805 -0.973 17613 817 1 2 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.066 -0.074 17613 818 1 2 . 1 1 17 17 LYS C C 17 179.380 179.380 178.957 0.423 17613 819 1 2 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.495 0.345 17613 820 1 2 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.449 0.616 17613 821 1 2 . 1 1 17 17 LYS H H 17 7.583 7.583 7.605 -0.022 17613 822 1 2 . 1 1 18 18 ILE N N 18 120.961 120.961 120.139 0.822 17613 823 1 2 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.645 -0.273 17613 824 1 2 . 1 1 18 18 ILE C C 18 176.967 176.967 177.823 -0.856 17613 825 1 2 . 1 1 18 18 ILE CA C 18 65.474 65.474 64.916 0.558 17613 826 1 2 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.669 -0.113 17613 827 1 2 . 1 1 18 18 ILE H H 18 8.785 8.785 7.732 1.053 17613 828 1 2 . 1 1 19 19 LYS N N 19 118.324 118.324 118.996 -0.672 17613 829 1 2 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.910 -0.230 17613 830 1 2 . 1 1 19 19 LYS C C 19 177.746 177.746 178.904 -1.158 17613 831 1 2 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.941 0.912 17613 832 1 2 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.152 0.174 17613 833 1 2 . 1 1 19 19 LYS H H 19 8.532 8.532 7.993 0.539 17613 834 1 2 . 1 1 20 20 LYS N N 20 116.284 116.284 119.006 -2.722 17613 835 1 2 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.109 -0.022 17613 836 1 2 . 1 1 20 20 LYS C C 20 178.406 178.406 179.007 -0.601 17613 837 1 2 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.592 -0.053 17613 838 1 2 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.791 0.190 17613 839 1 2 . 1 1 20 20 LYS H H 20 7.303 7.303 7.378 -0.075 17613 840 1 2 . 1 1 21 21 GLU N N 21 118.488 118.488 118.398 0.090 17613 841 1 2 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.028 -0.065 17613 842 1 2 . 1 1 21 21 GLU C C 21 179.088 179.088 178.800 0.288 17613 843 1 2 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.142 -0.248 17613 844 1 2 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.354 0.080 17613 845 1 2 . 1 1 21 21 GLU H H 21 7.665 7.665 7.825 -0.160 17613 846 1 2 . 1 1 22 22 VAL N N 22 109.032 109.032 112.371 -3.339 17613 847 1 2 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.348 -0.216 17613 848 1 2 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.424 -0.625 17613 849 1 2 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.433 -2.604 17613 850 1 2 . 1 1 22 22 VAL H H 22 8.037 8.037 7.659 0.378 17613 851 1 2 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.599 0.118 17613 852 1 2 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.416 3.393 17613 853 1 2 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.344 -0.173 17613 854 1 2 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.540 0.106 17613 855 1 2 . 1 1 25 25 GLN C C 25 175.692 175.692 176.782 -1.090 17613 856 1 2 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.597 0.421 17613 857 1 2 . 1 1 26 26 GLY N N 26 106.368 106.368 107.755 -1.387 17613 858 1 2 . 1 1 26 26 GLY C C 26 174.382 174.382 174.587 -0.205 17613 859 1 2 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.786 0.171 17613 860 1 2 . 1 1 26 26 GLY H H 26 8.020 8.020 7.639 0.381 17613 861 1 2 . 1 1 27 27 TYR N N 27 119.082 119.082 119.575 -0.493 17613 862 1 2 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.393 0.040 17613 863 1 2 . 1 1 27 27 TYR C C 27 174.528 174.528 175.250 -0.722 17613 864 1 2 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.704 0.350 17613 865 1 2 . 1 1 27 27 TYR CB C 27 39.005 39.005 38.476 0.529 17613 866 1 2 . 1 1 27 27 TYR H H 27 7.845 7.845 8.328 -0.483 17613 867 1 2 . 1 1 28 28 GLN N N 28 120.362 120.362 124.581 -4.219 17613 868 1 2 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.346 0.153 17613 869 1 2 . 1 1 28 28 GLN C C 28 174.625 174.625 175.549 -0.924 17613 870 1 2 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.261 -0.881 17613 871 1 2 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.006 2.449 17613 872 1 2 . 1 1 28 28 GLN H H 28 8.338 8.338 8.505 -0.167 17613 873 1 2 . 1 1 29 29 VAL N N 29 123.482 123.482 125.800 -2.318 17613 874 1 2 . 1 1 29 29 VAL HA H 29 5.043 5.043 3.947 1.096 17613 875 1 2 . 1 1 29 29 VAL C C 29 175.820 175.820 175.770 0.050 17613 876 1 2 . 1 1 29 29 VAL CA C 29 61.488 61.488 63.121 -1.633 17613 877 1 2 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.757 0.716 17613 878 1 2 . 1 1 29 29 VAL H H 29 8.776 8.776 8.409 0.367 17613 879 1 2 . 1 1 30 30 ARG N N 30 127.787 127.787 129.835 -2.048 17613 880 1 2 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.678 0.062 17613 881 1 2 . 1 1 30 30 ARG C C 30 173.332 173.332 174.564 -1.232 17613 882 1 2 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.209 0.579 17613 883 1 2 . 1 1 30 30 ARG CB C 30 32.391 32.391 30.534 1.857 17613 884 1 2 . 1 1 30 30 ARG H H 30 9.135 9.135 8.878 0.257 17613 885 1 2 . 1 1 31 31 ASP N N 31 121.895 121.895 122.411 -0.516 17613 886 1 2 . 1 1 31 31 ASP HA H 31 5.210 5.210 4.967 0.243 17613 887 1 2 . 1 1 31 31 ASP C C 31 175.282 175.282 175.114 0.168 17613 888 1 2 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.771 0.599 17613 889 1 2 . 1 1 31 31 ASP CB C 31 42.722 42.722 42.543 0.179 17613 890 1 2 . 1 1 31 31 ASP H H 31 8.377 8.377 8.608 -0.231 17613 891 1 2 . 1 1 32 32 VAL N N 32 120.426 120.426 120.903 -0.477 17613 892 1 2 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.359 -0.111 17613 893 1 2 . 1 1 32 32 VAL C C 32 174.114 174.114 174.808 -0.694 17613 894 1 2 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.019 0.538 17613 895 1 2 . 1 1 32 32 VAL CB C 32 33.884 33.884 34.050 -0.166 17613 896 1 2 . 1 1 32 32 VAL H H 32 8.441 8.441 8.464 -0.023 17613 897 1 2 . 1 1 33 33 ASN N N 33 122.700 122.700 123.148 -0.448 17613 898 1 2 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.864 0.113 17613 899 1 2 . 1 1 33 33 ASN C C 33 174.235 174.235 173.886 0.349 17613 900 1 2 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.379 0.017 17613 901 1 2 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.919 -0.050 17613 902 1 2 . 1 1 33 33 ASN H H 33 9.550 9.550 8.698 0.852 17613 903 1 2 . 1 1 34 34 ASP N N 34 114.885 114.885 119.086 -4.201 17613 904 1 2 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.837 -0.134 17613 905 1 2 . 1 1 34 34 ASP C C 34 175.626 175.626 175.951 -0.325 17613 906 1 2 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.738 0.745 17613 907 1 2 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.431 -1.035 17613 908 1 2 . 1 1 34 34 ASP H H 34 7.616 7.616 7.567 0.049 17613 909 1 2 . 1 1 35 35 SER N N 35 114.381 114.381 119.700 -5.319 17613 910 1 2 . 1 1 35 35 SER HA H 35 4.046 4.046 4.116 -0.070 17613 911 1 2 . 1 1 35 35 SER C C 35 175.991 175.991 176.221 -0.230 17613 912 1 2 . 1 1 35 35 SER CA C 35 61.446 61.446 61.370 0.076 17613 913 1 2 . 1 1 35 35 SER CB C 35 62.764 62.764 63.326 -0.562 17613 914 1 2 . 1 1 35 35 SER H H 35 8.869 8.869 8.715 0.154 17613 915 1 2 . 1 1 36 36 ASP N N 36 124.695 124.695 121.628 3.067 17613 916 1 2 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.386 0.133 17613 917 1 2 . 1 1 36 36 ASP C C 36 179.136 179.136 178.083 1.053 17613 918 1 2 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.591 0.077 17613 919 1 2 . 1 1 36 36 ASP CB C 36 40.284 40.284 41.020 -0.736 17613 920 1 2 . 1 1 36 36 ASP H H 36 8.388 8.388 8.390 -0.002 17613 921 1 2 . 1 1 37 37 GLU N N 37 122.449 122.449 119.368 3.081 17613 922 1 2 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.037 0.022 17613 923 1 2 . 1 1 37 37 GLU C C 37 178.698 178.698 178.932 -0.234 17613 924 1 2 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.978 0.231 17613 925 1 2 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.224 0.497 17613 926 1 2 . 1 1 37 37 GLU H H 37 9.009 9.009 8.227 0.782 17613 927 1 2 . 1 1 38 38 LEU N N 38 119.580 119.580 121.934 -2.354 17613 928 1 2 . 1 1 38 38 LEU HA H 38 3.911 3.911 4.029 -0.118 17613 929 1 2 . 1 1 38 38 LEU C C 38 177.649 177.649 178.612 -0.963 17613 930 1 2 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.297 0.836 17613 931 1 2 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.079 -1.010 17613 932 1 2 . 1 1 38 38 LEU H H 38 8.203 8.203 7.871 0.332 17613 933 1 2 . 1 1 39 39 LYS N N 39 118.404 118.404 117.909 0.495 17613 934 1 2 . 1 1 39 39 LYS HA H 39 3.841 3.841 4.004 -0.163 17613 935 1 2 . 1 1 39 39 LYS C C 39 179.577 179.577 179.298 0.279 17613 936 1 2 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.451 0.415 17613 937 1 2 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.131 -0.083 17613 938 1 2 . 1 1 39 39 LYS H H 39 7.829 7.829 7.723 0.106 17613 939 1 2 . 1 1 40 40 LYS N N 40 119.271 119.271 119.219 0.052 17613 940 1 2 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.081 -0.059 17613 941 1 2 . 1 1 40 40 LYS C C 40 179.577 179.577 179.016 0.561 17613 942 1 2 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.751 0.839 17613 943 1 2 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.803 0.597 17613 944 1 2 . 1 1 40 40 LYS H H 40 7.779 7.779 8.094 -0.315 17613 945 1 2 . 1 1 41 41 GLU N N 41 119.647 119.647 119.534 0.113 17613 946 1 2 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.190 0.073 17613 947 1 2 . 1 1 41 41 GLU C C 41 179.504 179.504 179.015 0.489 17613 948 1 2 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.489 -0.415 17613 949 1 2 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.160 -0.914 17613 950 1 2 . 1 1 41 41 GLU H H 41 8.721 8.721 7.702 1.019 17613 951 1 2 . 1 1 42 42 MET N N 42 118.114 118.114 117.892 0.222 17613 952 1 2 . 1 1 42 42 MET HA H 42 4.383 4.383 4.149 0.234 17613 953 1 2 . 1 1 42 42 MET C C 42 179.185 179.185 178.443 0.742 17613 954 1 2 . 1 1 42 42 MET CA C 42 57.054 57.054 57.060 -0.006 17613 955 1 2 . 1 1 42 42 MET CB C 42 31.254 31.254 31.302 -0.048 17613 956 1 2 . 1 1 42 42 MET H H 42 8.779 8.779 8.229 0.550 17613 957 1 2 . 1 1 43 43 LYS N N 43 120.740 120.740 119.872 0.868 17613 958 1 2 . 1 1 43 43 LYS HA H 43 4.088 4.088 3.980 0.108 17613 959 1 2 . 1 1 43 43 LYS C C 43 178.187 178.187 179.095 -0.908 17613 960 1 2 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.835 -0.445 17613 961 1 2 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.145 -0.183 17613 962 1 2 . 1 1 43 43 LYS H H 43 7.499 7.499 7.528 -0.029 17613 963 1 2 . 1 1 44 44 LYS N N 44 118.269 118.269 118.567 -0.298 17613 964 1 2 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.116 -0.055 17613 965 1 2 . 1 1 44 44 LYS C C 44 179.601 179.601 179.427 0.174 17613 966 1 2 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.835 0.665 17613 967 1 2 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.198 -0.128 17613 968 1 2 . 1 1 44 44 LYS H H 44 7.445 7.445 7.460 -0.015 17613 969 1 2 . 1 1 45 45 LEU N N 45 117.785 117.785 118.977 -1.192 17613 970 1 2 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.030 0.117 17613 971 1 2 . 1 1 45 45 LEU C C 45 178.357 178.357 178.977 -0.620 17613 972 1 2 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.807 -0.620 17613 973 1 2 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.823 -0.050 17613 974 1 2 . 1 1 45 45 LEU H H 45 8.161 8.161 8.237 -0.076 17613 975 1 2 . 1 1 46 46 ALA N N 46 118.538 118.538 120.520 -1.982 17613 976 1 2 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.273 -0.021 17613 977 1 2 . 1 1 46 46 ALA C C 46 178.893 178.893 179.009 -0.116 17613 978 1 2 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.342 -0.670 17613 979 1 2 . 1 1 46 46 ALA CB C 46 18.882 18.882 19.220 -0.338 17613 980 1 2 . 1 1 46 46 ALA H H 46 7.637 7.637 7.489 0.148 17613 981 1 2 . 1 1 47 47 GLU N N 47 115.492 115.492 115.540 -0.048 17613 982 1 2 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.242 0.008 17613 983 1 2 . 1 1 47 47 GLU C C 47 176.478 176.478 176.702 -0.224 17613 984 1 2 . 1 1 47 47 GLU CA C 47 56.931 56.931 56.750 0.181 17613 985 1 2 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.344 0.073 17613 986 1 2 . 1 1 47 47 GLU H H 47 7.713 7.713 8.104 -0.391 17613 987 1 2 . 1 1 48 48 GLU N N 48 120.573 120.573 120.358 0.215 17613 988 1 2 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.399 -0.026 17613 989 1 2 . 1 1 48 48 GLU C C 48 173.624 173.624 175.434 -1.810 17613 990 1 2 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.653 0.368 17613 991 1 2 . 1 1 48 48 GLU CB C 48 29.910 29.910 30.313 -0.403 17613 992 1 2 . 1 1 48 48 GLU H H 48 7.748 7.748 7.630 0.118 17613 993 1 2 . 1 1 49 49 LYS N N 49 124.420 124.420 124.956 -0.536 17613 994 1 2 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.436 -0.118 17613 995 1 2 . 1 1 49 49 LYS C C 49 176.843 176.843 175.451 1.392 17613 996 1 2 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.192 0.325 17613 997 1 2 . 1 1 49 49 LYS CB C 49 32.462 32.462 33.127 -0.665 17613 998 1 2 . 1 1 49 49 LYS H H 49 8.607 8.607 8.458 0.149 17613 999 1 2 . 1 1 50 50 ASN N N 50 117.993 117.993 116.949 1.044 17613 1000 1 2 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.461 0.163 17613 1001 1 2 . 1 1 50 50 ASN C C 50 176.454 176.454 175.232 1.222 17613 1002 1 2 . 1 1 50 50 ASN CA C 50 53.555 53.555 52.359 1.196 17613 1003 1 2 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.624 0.412 17613 1004 1 2 . 1 1 50 50 ASN H H 50 8.723 8.723 7.819 0.904 17613 1005 1 2 . 1 1 51 51 PHE N N 51 120.700 120.700 120.953 -0.253 17613 1006 1 2 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.564 0.194 17613 1007 1 2 . 1 1 51 51 PHE CA C 51 57.935 57.935 55.898 2.037 17613 1008 1 2 . 1 1 51 51 PHE CB C 51 38.975 38.975 36.916 2.058 17613 1009 1 2 . 1 1 51 51 PHE H H 51 8.341 8.341 7.817 0.524 17613 1010 1 2 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.334 -0.076 17613 1011 1 2 . 1 1 52 52 GLU C C 52 173.600 173.600 176.996 -3.396 17613 1012 1 2 . 1 1 52 52 GLU CA C 52 56.254 56.254 54.795 1.459 17613 1013 1 2 . 1 1 52 52 GLU CB C 52 33.459 33.459 31.977 1.482 17613 1014 1 2 . 1 1 53 53 LYS N N 53 119.964 119.964 123.506 -3.542 17613 1015 1 2 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.017 0.672 17613 1016 1 2 . 1 1 53 53 LYS C C 53 174.430 174.430 175.548 -1.118 17613 1017 1 2 . 1 1 53 53 LYS CA C 53 55.356 55.356 56.526 -1.171 17613 1018 1 2 . 1 1 53 53 LYS CB C 53 31.445 31.445 30.572 0.873 17613 1019 1 2 . 1 1 53 53 LYS H H 53 7.962 7.962 8.481 -0.519 17613 1020 1 2 . 1 1 54 54 ILE N N 54 124.730 124.730 124.403 0.327 17613 1021 1 2 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.361 0.485 17613 1022 1 2 . 1 1 54 54 ILE C C 54 173.089 173.089 174.514 -1.425 17613 1023 1 2 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.690 0.574 17613 1024 1 2 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.637 3.316 17613 1025 1 2 . 1 1 54 54 ILE H H 54 8.804 8.804 7.991 0.813 17613 1026 1 2 . 1 1 55 55 LEU N N 55 130.086 130.086 129.912 0.174 17613 1027 1 2 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.146 0.495 17613 1028 1 2 . 1 1 55 55 LEU C C 55 174.430 174.430 174.792 -0.362 17613 1029 1 2 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.337 0.165 17613 1030 1 2 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.157 0.044 17613 1031 1 2 . 1 1 55 55 LEU H H 55 9.103 9.103 8.468 0.635 17613 1032 1 2 . 1 1 56 56 ILE N N 56 125.983 125.983 127.068 -1.085 17613 1033 1 2 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.990 0.067 17613 1034 1 2 . 1 1 56 56 ILE C C 56 174.089 174.089 175.674 -1.585 17613 1035 1 2 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.608 0.502 17613 1036 1 2 . 1 1 56 56 ILE CB C 56 39.823 39.823 37.583 2.240 17613 1037 1 2 . 1 1 56 56 ILE H H 56 9.182 9.182 8.458 0.724 17613 1038 1 2 . 1 1 57 57 ILE N N 57 127.241 127.241 128.979 -1.738 17613 1039 1 2 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.001 -0.089 17613 1040 1 2 . 1 1 57 57 ILE C C 57 174.869 174.869 175.677 -0.808 17613 1041 1 2 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.692 -1.437 17613 1042 1 2 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.679 -0.728 17613 1043 1 2 . 1 1 57 57 ILE H H 57 8.541 8.541 8.766 -0.225 17613 1044 1 2 . 1 1 58 58 SER N N 58 119.270 119.270 120.433 -1.163 17613 1045 1 2 . 1 1 58 58 SER HA H 58 5.007 5.007 5.296 -0.289 17613 1046 1 2 . 1 1 58 58 SER C C 58 174.211 174.211 174.188 0.023 17613 1047 1 2 . 1 1 58 58 SER CA C 58 56.727 56.727 56.524 0.203 17613 1048 1 2 . 1 1 58 58 SER CB C 58 66.615 66.615 65.412 1.203 17613 1049 1 2 . 1 1 58 58 SER H H 58 8.810 8.810 8.454 0.356 17613 1050 1 2 . 1 1 59 59 ASN N N 59 122.382 122.382 124.823 -2.441 17613 1051 1 2 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.073 -0.362 17613 1052 1 2 . 1 1 59 59 ASN C C 59 174.795 174.795 174.799 -0.004 17613 1053 1 2 . 1 1 59 59 ASN CA C 59 52.507 52.507 54.566 -2.059 17613 1054 1 2 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.962 -1.000 17613 1055 1 2 . 1 1 59 59 ASN H H 59 8.794 8.794 8.294 0.500 17613 1056 1 2 . 1 1 60 60 ASP N N 60 119.744 119.744 119.119 0.625 17613 1057 1 2 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.821 0.042 17613 1058 1 2 . 1 1 60 60 ASP C C 60 176.015 176.015 176.315 -0.300 17613 1059 1 2 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.876 0.221 17613 1060 1 2 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.161 -0.212 17613 1061 1 2 . 1 1 60 60 ASP H H 60 7.857 7.857 7.511 0.346 17613 1062 1 2 . 1 1 61 61 LYS N N 61 125.818 125.818 125.798 0.020 17613 1063 1 2 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.274 -0.552 17613 1064 1 2 . 1 1 61 61 LYS C C 61 177.673 177.673 178.069 -0.396 17613 1065 1 2 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.311 0.321 17613 1066 1 2 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.487 -0.970 17613 1067 1 2 . 1 1 61 61 LYS H H 61 8.904 8.904 8.616 0.288 17613 1068 1 2 . 1 1 62 62 GLN N N 62 118.918 118.918 119.832 -0.914 17613 1069 1 2 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.170 -0.065 17613 1070 1 2 . 1 1 62 62 GLN C C 62 178.747 178.747 177.694 1.053 17613 1071 1 2 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.552 -0.251 17613 1072 1 2 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.865 -0.417 17613 1073 1 2 . 1 1 62 62 GLN H H 62 8.434 8.434 7.828 0.606 17613 1074 1 2 . 1 1 63 63 LEU N N 63 120.071 120.071 120.462 -0.391 17613 1075 1 2 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.002 0.132 17613 1076 1 2 . 1 1 63 63 LEU C C 63 178.552 178.552 178.951 -0.399 17613 1077 1 2 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.698 -1.055 17613 1078 1 2 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.649 -0.755 17613 1079 1 2 . 1 1 63 63 LEU H H 63 7.671 7.671 8.134 -0.463 17613 1080 1 2 . 1 1 64 64 LEU N N 64 117.705 117.705 119.926 -2.221 17613 1081 1 2 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.931 -0.024 17613 1082 1 2 . 1 1 64 64 LEU C C 64 172.526 172.526 178.275 -5.749 17613 1083 1 2 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.656 -0.878 17613 1084 1 2 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.806 -0.456 17613 1085 1 2 . 1 1 64 64 LEU H H 64 7.626 7.626 8.004 -0.378 17613 1086 1 2 . 1 1 65 65 LYS N N 65 118.311 118.311 119.196 -0.885 17613 1087 1 2 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.943 -0.149 17613 1088 1 2 . 1 1 65 65 LYS C C 65 178.479 178.479 178.875 -0.396 17613 1089 1 2 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.154 0.073 17613 1090 1 2 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.198 0.068 17613 1091 1 2 . 1 1 65 65 LYS H H 65 8.038 8.038 7.745 0.293 17613 1092 1 2 . 1 1 66 66 GLU N N 66 119.362 119.362 118.387 0.975 17613 1093 1 2 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.008 0.018 17613 1094 1 2 . 1 1 66 66 GLU C C 66 178.893 178.893 179.041 -0.148 17613 1095 1 2 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.818 0.301 17613 1096 1 2 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.143 0.119 17613 1097 1 2 . 1 1 66 66 GLU H H 66 7.803 7.803 7.914 -0.111 17613 1098 1 2 . 1 1 67 67 MET N N 67 118.398 118.398 120.790 -2.392 17613 1099 1 2 . 1 1 67 67 MET HA H 67 3.948 3.948 4.118 -0.170 17613 1100 1 2 . 1 1 67 67 MET C C 67 177.527 177.527 178.655 -1.128 17613 1101 1 2 . 1 1 67 67 MET CA C 67 59.963 59.963 58.359 1.604 17613 1102 1 2 . 1 1 67 67 MET CB C 67 33.443 33.443 32.528 0.915 17613 1103 1 2 . 1 1 67 67 MET H H 67 8.394 8.394 8.161 0.233 17613 1104 1 2 . 1 1 68 68 LEU N N 68 118.269 118.269 117.753 0.516 17613 1105 1 2 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.822 -0.043 17613 1106 1 2 . 1 1 68 68 LEU C C 68 178.869 178.869 179.295 -0.426 17613 1107 1 2 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.656 0.285 17613 1108 1 2 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.306 -0.431 17613 1109 1 2 . 1 1 68 68 LEU H H 68 8.471 8.471 8.031 0.440 17613 1110 1 2 . 1 1 69 69 GLU N N 69 118.681 118.681 119.503 -0.822 17613 1111 1 2 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.140 -0.085 17613 1112 1 2 . 1 1 69 69 GLU C C 69 179.063 179.063 179.251 -0.188 17613 1113 1 2 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.364 0.060 17613 1114 1 2 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.783 -0.643 17613 1115 1 2 . 1 1 69 69 GLU H H 69 7.627 7.627 8.026 -0.399 17613 1116 1 2 . 1 1 70 70 LEU N N 70 119.503 119.503 120.104 -0.601 17613 1117 1 2 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.107 0.054 17613 1118 1 2 . 1 1 70 70 LEU C C 70 179.699 179.699 179.199 0.500 17613 1119 1 2 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.543 0.231 17613 1120 1 2 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.141 -0.197 17613 1121 1 2 . 1 1 70 70 LEU H H 70 7.717 7.717 7.924 -0.207 17613 1122 1 2 . 1 1 71 71 ILE N N 71 116.791 116.791 118.448 -1.657 17613 1123 1 2 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.708 0.029 17613 1124 1 2 . 1 1 71 71 ILE C C 71 178.357 178.357 177.565 0.792 17613 1125 1 2 . 1 1 71 71 ILE CA C 71 64.242 64.242 64.312 -0.070 17613 1126 1 2 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.724 0.177 17613 1127 1 2 . 1 1 71 71 ILE H H 71 8.598 8.598 8.219 0.379 17613 1128 1 2 . 1 1 72 72 SER N N 72 116.517 116.517 116.658 -0.141 17613 1129 1 2 . 1 1 72 72 SER HA H 72 4.365 4.365 4.308 0.057 17613 1130 1 2 . 1 1 72 72 SER C C 72 176.845 176.845 175.904 0.941 17613 1131 1 2 . 1 1 72 72 SER CA C 72 61.365 61.365 61.398 -0.033 17613 1132 1 2 . 1 1 72 72 SER CB C 72 62.780 62.780 63.223 -0.443 17613 1133 1 2 . 1 1 72 72 SER H H 72 8.023 8.023 8.031 -0.008 17613 1134 1 2 . 1 1 73 73 LYS N N 73 120.731 120.731 120.124 0.607 17613 1135 1 2 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.138 0.153 17613 1136 1 2 . 1 1 73 73 LYS C C 73 177.771 177.771 177.904 -0.133 17613 1137 1 2 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.976 -0.500 17613 1138 1 2 . 1 1 73 73 LYS CB C 73 32.146 32.146 31.563 0.583 17613 1139 1 2 . 1 1 73 73 LYS H H 73 7.723 7.723 7.538 0.185 17613 1140 1 2 . 1 1 74 74 LEU N N 74 117.572 117.572 118.492 -0.920 17613 1141 1 2 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.095 0.132 17613 1142 1 2 . 1 1 74 74 LEU C C 74 177.332 177.332 177.355 -0.023 17613 1143 1 2 . 1 1 74 74 LEU CA C 74 55.199 55.199 54.880 0.319 17613 1144 1 2 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.049 -0.563 17613 1145 1 2 . 1 1 74 74 LEU H H 74 7.609 7.609 7.273 0.336 17613 1146 1 2 . 1 1 75 75 GLY N N 75 105.991 105.991 106.084 -0.093 17613 1147 1 2 . 1 1 75 75 GLY C C 75 174.771 174.771 174.090 0.681 17613 1148 1 2 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.325 0.517 17613 1149 1 2 . 1 1 75 75 GLY H H 75 7.925 7.925 7.648 0.277 17613 1150 1 2 . 1 1 76 76 TYR N N 76 118.452 118.452 118.602 -0.150 17613 1151 1 2 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.625 0.153 17613 1152 1 2 . 1 1 76 76 TYR C C 76 175.234 175.234 175.485 -0.251 17613 1153 1 2 . 1 1 76 76 TYR CA C 76 55.504 55.504 55.760 -0.255 17613 1154 1 2 . 1 1 76 76 TYR CB C 76 37.962 37.962 39.694 -1.732 17613 1155 1 2 . 1 1 76 76 TYR H H 76 7.366 7.366 7.421 -0.055 17613 1156 1 2 . 1 1 77 77 LYS N N 77 122.866 122.866 123.741 -0.875 17613 1157 1 2 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.458 0.090 17613 1158 1 2 . 1 1 77 77 LYS C C 77 174.138 174.138 175.242 -1.104 17613 1159 1 2 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.315 -0.245 17613 1160 1 2 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.690 0.527 17613 1161 1 2 . 1 1 77 77 LYS H H 77 8.290 8.290 8.701 -0.411 17613 1162 1 2 . 1 1 78 78 VAL N N 78 124.071 124.071 126.820 -2.749 17613 1163 1 2 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.837 0.329 17613 1164 1 2 . 1 1 78 78 VAL C C 78 174.162 174.162 174.661 -0.499 17613 1165 1 2 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.334 -1.105 17613 1166 1 2 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.233 1.121 17613 1167 1 2 . 1 1 78 78 VAL H H 78 7.830 7.830 8.048 -0.218 17613 1168 1 2 . 1 1 79 79 PHE N N 79 126.174 126.174 126.227 -0.053 17613 1169 1 2 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.585 -0.018 17613 1170 1 2 . 1 1 79 79 PHE C C 79 173.357 173.357 174.348 -0.991 17613 1171 1 2 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.607 -0.654 17613 1172 1 2 . 1 1 79 79 PHE CB C 79 40.184 40.184 39.719 0.465 17613 1173 1 2 . 1 1 79 79 PHE H H 79 8.374 8.374 8.496 -0.122 17613 1174 1 2 . 1 1 80 80 LEU N N 80 123.959 123.959 126.063 -2.104 17613 1175 1 2 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.358 0.188 17613 1176 1 2 . 1 1 80 80 LEU C C 80 173.503 173.503 174.767 -1.264 17613 1177 1 2 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.953 1.045 17613 1178 1 2 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.470 0.197 17613 1179 1 2 . 1 1 80 80 LEU H H 80 8.601 8.601 8.844 -0.243 17613 1180 1 2 . 1 1 81 81 LEU N N 81 126.694 126.694 128.424 -1.730 17613 1181 1 2 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.331 -0.062 17613 1182 1 2 . 1 1 81 81 LEU C C 81 173.649 173.649 174.526 -0.877 17613 1183 1 2 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.407 -0.343 17613 1184 1 2 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.908 0.869 17613 1185 1 2 . 1 1 81 81 LEU H H 81 9.063 9.063 8.934 0.129 17613 1186 1 2 . 1 1 82 82 LEU N N 82 124.888 124.888 128.332 -3.444 17613 1187 1 2 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.662 0.249 17613 1188 1 2 . 1 1 82 82 LEU C C 82 174.479 174.479 174.997 -0.518 17613 1189 1 2 . 1 1 82 82 LEU CA C 82 53.135 53.135 54.222 -1.087 17613 1190 1 2 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.786 1.436 17613 1191 1 2 . 1 1 82 82 LEU H H 82 8.864 8.864 9.045 -0.181 17613 1192 1 2 . 1 1 83 83 GLN N N 83 122.153 122.153 124.616 -2.463 17613 1193 1 2 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.505 -0.245 17613 1194 1 2 . 1 1 83 83 GLN C C 83 174.333 174.333 174.743 -0.410 17613 1195 1 2 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.341 0.245 17613 1196 1 2 . 1 1 83 83 GLN CB C 83 29.870 29.870 32.124 -2.254 17613 1197 1 2 . 1 1 83 83 GLN H H 83 8.437 8.437 8.542 -0.105 17613 1198 1 2 . 1 1 84 84 ASP N N 84 124.451 124.451 124.900 -0.449 17613 1199 1 2 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.992 -0.490 17613 1200 1 2 . 1 1 84 84 ASP C C 84 174.308 174.308 175.359 -1.051 17613 1201 1 2 . 1 1 84 84 ASP CA C 84 54.015 54.015 52.663 1.352 17613 1202 1 2 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.672 -0.901 17613 1203 1 2 . 1 1 84 84 ASP H H 84 8.205 8.205 8.098 0.107 17613 1204 1 2 . 1 1 85 85 GLN N N 85 120.202 120.202 117.508 2.694 17613 1205 1 2 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.263 0.071 17613 1206 1 2 . 1 1 85 85 GLN C C 85 175.431 175.431 175.641 -0.210 17613 1207 1 2 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.799 -0.204 17613 1208 1 2 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.601 -0.267 17613 1209 1 2 . 1 1 85 85 GLN H H 85 8.617 8.617 8.430 0.187 17613 1210 1 2 . 1 1 86 86 ASP N N 86 120.508 120.508 119.887 0.621 17613 1211 1 2 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.720 -0.035 17613 1212 1 2 . 1 1 86 86 ASP C C 86 175.747 175.747 176.604 -0.857 17613 1213 1 2 . 1 1 86 86 ASP CA C 86 53.512 53.512 52.975 0.537 17613 1214 1 2 . 1 1 86 86 ASP CB C 86 40.957 40.957 42.596 -1.639 17613 1215 1 2 . 1 1 86 86 ASP H H 86 8.691 8.691 7.984 0.707 17613 1216 1 2 . 1 1 87 87 GLU N N 87 123.604 123.604 124.452 -0.848 17613 1217 1 2 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.124 -0.089 17613 1218 1 2 . 1 1 87 87 GLU C C 87 177.771 177.771 178.244 -0.473 17613 1219 1 2 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.395 -0.873 17613 1220 1 2 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.730 -0.154 17613 1221 1 2 . 1 1 87 87 GLU H H 87 8.642 8.642 8.958 -0.316 17613 1222 1 2 . 1 1 88 88 ASN N N 88 118.838 118.838 118.330 0.508 17613 1223 1 2 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.465 0.096 17613 1224 1 2 . 1 1 88 88 ASN C C 88 177.089 177.089 177.533 -0.444 17613 1225 1 2 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.215 -0.573 17613 1226 1 2 . 1 1 88 88 ASN CB C 88 38.166 38.166 38.370 -0.204 17613 1227 1 2 . 1 1 88 88 ASN H H 88 8.527 8.527 8.168 0.359 17613 1228 1 2 . 1 1 89 89 GLU N N 89 120.947 120.947 120.350 0.597 17613 1229 1 2 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.160 -0.013 17613 1230 1 2 . 1 1 89 89 GLU C C 89 178.357 178.357 178.904 -0.547 17613 1231 1 2 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.641 -0.390 17613 1232 1 2 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.435 -0.191 17613 1233 1 2 . 1 1 89 89 GLU H H 89 8.221 8.221 8.193 0.028 17613 1234 1 2 . 1 1 90 90 LEU N N 90 119.582 119.582 123.181 -3.599 17613 1235 1 2 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.143 0.062 17613 1236 1 2 . 1 1 90 90 LEU C C 90 177.917 177.917 178.862 -0.945 17613 1237 1 2 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.980 -1.036 17613 1238 1 2 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.769 0.687 17613 1239 1 2 . 1 1 90 90 LEU H H 90 8.047 8.047 7.663 0.384 17613 1240 1 2 . 1 1 91 91 GLU N N 91 119.029 119.029 118.782 0.247 17613 1241 1 2 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.021 0.052 17613 1242 1 2 . 1 1 91 91 GLU C C 91 178.284 178.284 178.697 -0.413 17613 1243 1 2 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.319 -0.190 17613 1244 1 2 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.168 -0.198 17613 1245 1 2 . 1 1 91 91 GLU H H 91 7.940 7.940 8.252 -0.312 17613 1246 1 2 . 1 1 92 92 GLU N N 92 118.667 118.667 119.452 -0.785 17613 1247 1 2 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.056 -0.024 17613 1248 1 2 . 1 1 92 92 GLU C C 92 178.103 178.103 179.278 -1.175 17613 1249 1 2 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.384 -0.132 17613 1250 1 2 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.587 -0.655 17613 1251 1 2 . 1 1 92 92 GLU H H 92 8.088 8.088 7.887 0.201 17613 1252 1 2 . 1 1 93 93 PHE N N 93 120.118 120.118 119.366 0.752 17613 1253 1 2 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.424 -0.084 17613 1254 1 2 . 1 1 93 93 PHE C C 93 176.894 176.894 177.244 -0.350 17613 1255 1 2 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.547 0.898 17613 1256 1 2 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.510 -0.523 17613 1257 1 2 . 1 1 93 93 PHE H H 93 8.103 8.103 8.131 -0.028 17613 1258 1 2 . 1 1 94 94 LYS N N 94 118.941 118.941 120.342 -1.401 17613 1259 1 2 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.815 -0.198 17613 1260 1 2 . 1 1 94 94 LYS C C 94 177.600 177.600 178.986 -1.386 17613 1261 1 2 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.278 0.798 17613 1262 1 2 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.161 0.304 17613 1263 1 2 . 1 1 94 94 LYS H H 94 8.606 8.606 7.897 0.709 17613 1264 1 2 . 1 1 95 95 ARG N N 95 117.194 117.194 117.663 -0.469 17613 1265 1 2 . 1 1 95 95 ARG HA H 95 4.150 4.150 3.971 0.179 17613 1266 1 2 . 1 1 95 95 ARG C C 95 179.404 179.404 178.651 0.753 17613 1267 1 2 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.610 -0.507 17613 1268 1 2 . 1 1 95 95 ARG CB C 95 29.819 29.819 30.084 -0.265 17613 1269 1 2 . 1 1 95 95 ARG H H 95 8.159 8.159 7.918 0.241 17613 1270 1 2 . 1 1 96 96 LYS N N 96 119.582 119.582 119.315 0.267 17613 1271 1 2 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.056 0.009 17613 1272 1 2 . 1 1 96 96 LYS C C 96 179.034 179.034 178.924 0.110 17613 1273 1 2 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.221 -0.287 17613 1274 1 2 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.109 -0.040 17613 1275 1 2 . 1 1 96 96 LYS H H 96 7.786 7.786 7.552 0.234 17613 1276 1 2 . 1 1 97 97 ILE N N 97 118.550 118.550 118.265 0.285 17613 1277 1 2 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.833 0.105 17613 1278 1 2 . 1 1 97 97 ILE C C 97 178.284 178.284 177.759 0.525 17613 1279 1 2 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.849 -1.280 17613 1280 1 2 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.537 -0.331 17613 1281 1 2 . 1 1 97 97 ILE H H 97 7.831 7.831 7.247 0.584 17613 1282 1 2 . 1 1 98 98 GLU N N 98 121.984 121.984 120.811 1.173 17613 1283 1 2 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.211 0.125 17613 1284 1 2 . 1 1 98 98 GLU C C 98 180.040 180.040 179.218 0.822 17613 1285 1 2 . 1 1 98 98 GLU CA C 98 58.950 58.950 59.056 -0.105 17613 1286 1 2 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.563 -0.128 17613 1287 1 2 . 1 1 98 98 GLU H H 98 8.670 8.670 8.176 0.494 17613 1288 1 2 . 1 1 99 99 SER N N 99 115.499 115.499 115.221 0.278 17613 1289 1 2 . 1 1 99 99 SER HA H 99 4.343 4.343 4.273 0.070 17613 1290 1 2 . 1 1 99 99 SER C C 99 174.820 174.820 175.878 -1.058 17613 1291 1 2 . 1 1 99 99 SER CA C 99 60.410 60.410 60.502 -0.092 17613 1292 1 2 . 1 1 99 99 SER CB C 99 62.680 62.680 63.126 -0.446 17613 1293 1 2 . 1 1 99 99 SER H H 99 8.099 8.099 7.678 0.421 17613 1294 1 2 . 1 1 100 100 GLN N N 100 119.301 119.301 118.336 0.965 17613 1295 1 2 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.187 0.123 17613 1296 1 2 . 1 1 100 100 GLN C C 100 175.857 175.857 175.831 0.026 17613 1297 1 2 . 1 1 100 100 GLN CA C 100 55.926 55.926 56.009 -0.083 17613 1298 1 2 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.864 0.348 17613 1299 1 2 . 1 1 100 100 GLN H H 100 7.623 7.623 7.466 0.157 17613 1300 1 2 . 1 1 101 101 GLY N N 101 105.765 105.765 106.690 -0.925 17613 1301 1 2 . 1 1 101 101 GLY C C 101 173.748 173.748 173.874 -0.126 17613 1302 1 2 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.802 0.401 17613 1303 1 2 . 1 1 101 101 GLY H H 101 7.945 7.945 7.515 0.430 17613 1304 1 2 . 1 1 102 102 TYR N N 102 117.993 117.993 117.906 0.087 17613 1305 1 2 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.516 0.156 17613 1306 1 2 . 1 1 102 102 TYR C C 102 174.747 174.747 175.276 -0.529 17613 1307 1 2 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.370 -0.116 17613 1308 1 2 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.779 -1.731 17613 1309 1 2 . 1 1 102 102 TYR H H 102 6.890 6.890 7.322 -0.432 17613 1310 1 2 . 1 1 103 103 GLU N N 103 122.864 122.864 124.676 -1.812 17613 1311 1 2 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.394 0.113 17613 1312 1 2 . 1 1 103 103 GLU C C 103 174.162 174.162 175.116 -0.954 17613 1313 1 2 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.988 0.396 17613 1314 1 2 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.870 1.501 17613 1315 1 2 . 1 1 103 103 GLU H H 103 8.318 8.318 8.705 -0.387 17613 1316 1 2 . 1 1 104 104 VAL N N 104 124.342 124.342 127.419 -3.077 17613 1317 1 2 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.719 0.509 17613 1318 1 2 . 1 1 104 104 VAL C C 104 174.235 174.235 175.379 -1.144 17613 1319 1 2 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.271 -1.991 17613 1320 1 2 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.105 1.062 17613 1321 1 2 . 1 1 104 104 VAL H H 104 8.651 8.651 7.852 0.799 17613 1322 1 2 . 1 1 105 105 ARG N N 105 124.856 124.856 126.895 -2.039 17613 1323 1 2 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.853 0.062 17613 1324 1 2 . 1 1 105 105 ARG C C 105 173.917 173.917 175.394 -1.477 17613 1325 1 2 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.185 -0.720 17613 1326 1 2 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.457 -0.502 17613 1327 1 2 . 1 1 105 105 ARG H H 105 8.705 8.705 9.003 -0.298 17613 1328 1 2 . 1 1 106 106 LYS N N 106 121.499 121.499 121.832 -0.333 17613 1329 1 2 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.278 0.300 17613 1330 1 2 . 1 1 106 106 LYS C C 106 174.820 174.820 175.951 -1.131 17613 1331 1 2 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.567 -1.699 17613 1332 1 2 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.458 0.841 17613 1333 1 2 . 1 1 106 106 LYS H H 106 8.807 8.807 8.480 0.327 17613 1334 1 2 . 1 1 107 107 VAL N N 107 118.792 118.792 121.054 -2.262 17613 1335 1 2 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.721 -0.106 17613 1336 1 2 . 1 1 107 107 VAL C C 107 173.332 173.332 174.088 -0.756 17613 1337 1 2 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.681 -0.459 17613 1338 1 2 . 1 1 107 107 VAL CB C 107 35.234 35.234 34.949 0.285 17613 1339 1 2 . 1 1 107 107 VAL H H 107 8.555 8.555 8.424 0.131 17613 1340 1 2 . 1 1 108 108 THR N N 108 114.072 114.072 118.066 -3.994 17613 1341 1 2 . 1 1 108 108 THR HA H 108 4.781 4.781 4.732 0.049 17613 1342 1 2 . 1 1 108 108 THR C C 108 174.625 174.625 174.535 0.090 17613 1343 1 2 . 1 1 108 108 THR CA C 108 62.221 62.221 61.711 0.510 17613 1344 1 2 . 1 1 108 108 THR CB C 108 69.975 69.975 70.651 -0.676 17613 1345 1 2 . 1 1 108 108 THR H H 108 8.604 8.604 8.613 -0.009 17613 1346 1 2 . 1 1 109 109 ASP N N 109 122.574 122.574 124.641 -2.067 17613 1347 1 2 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.831 -0.093 17613 1348 1 2 . 1 1 109 109 ASP C C 109 175.796 175.796 176.236 -0.440 17613 1349 1 2 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.809 -0.960 17613 1350 1 2 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.706 0.982 17613 1351 1 2 . 1 1 109 109 ASP H H 109 8.036 8.036 7.776 0.260 17613 1352 1 2 . 1 1 110 110 ASP N N 110 122.852 122.852 122.936 -0.084 17613 1353 1 2 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.216 -0.121 17613 1354 1 2 . 1 1 110 110 ASP C C 110 177.527 177.527 177.773 -0.246 17613 1355 1 2 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.944 -0.556 17613 1356 1 2 . 1 1 110 110 ASP CB C 110 40.301 40.301 41.160 -0.859 17613 1357 1 2 . 1 1 110 110 ASP H H 110 8.696 8.696 8.832 -0.136 17613 1358 1 2 . 1 1 111 111 GLU N N 111 119.144 119.144 118.347 0.797 17613 1359 1 2 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.045 -0.057 17613 1360 1 2 . 1 1 111 111 GLU C C 111 179.942 179.942 178.669 1.273 17613 1361 1 2 . 1 1 111 111 GLU CA C 111 59.357 59.357 58.988 0.369 17613 1362 1 2 . 1 1 111 111 GLU CB C 111 28.496 28.496 28.896 -0.400 17613 1363 1 2 . 1 1 111 111 GLU H H 111 8.213 8.213 8.650 -0.437 17613 1364 1 2 . 1 1 112 112 GLU N N 112 121.400 121.400 120.328 1.072 17613 1365 1 2 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.038 -0.041 17613 1366 1 2 . 1 1 112 112 GLU C C 112 178.430 178.430 178.226 0.204 17613 1367 1 2 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.788 -0.039 17613 1368 1 2 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.292 -0.098 17613 1369 1 2 . 1 1 112 112 GLU H H 112 8.234 8.234 8.411 -0.177 17613 1370 1 2 . 1 1 113 113 ALA N N 113 120.316 120.316 121.978 -1.662 17613 1371 1 2 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.020 -0.220 17613 1372 1 2 . 1 1 113 113 ALA C C 113 178.430 178.430 179.853 -1.423 17613 1373 1 2 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.540 -0.158 17613 1374 1 2 . 1 1 113 113 ALA CB C 113 18.602 18.602 17.915 0.687 17613 1375 1 2 . 1 1 113 113 ALA H H 113 8.118 8.118 7.839 0.279 17613 1376 1 2 . 1 1 114 114 LEU N N 114 116.901 116.901 117.723 -0.822 17613 1377 1 2 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.815 -0.102 17613 1378 1 2 . 1 1 114 114 LEU C C 114 178.431 178.431 179.197 -0.766 17613 1379 1 2 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.415 0.260 17613 1380 1 2 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.347 -0.411 17613 1381 1 2 . 1 1 114 114 LEU H H 114 7.743 7.743 7.616 0.127 17613 1382 1 2 . 1 1 115 115 LYS N N 115 119.066 119.066 118.797 0.269 17613 1383 1 2 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.874 -0.074 17613 1384 1 2 . 1 1 115 115 LYS C C 115 179.404 179.404 179.187 0.217 17613 1385 1 2 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.649 0.234 17613 1386 1 2 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.179 -0.001 17613 1387 1 2 . 1 1 115 115 LYS H H 115 7.617 7.617 7.373 0.244 17613 1388 1 2 . 1 1 116 116 ILE N N 116 120.613 120.613 118.826 1.787 17613 1389 1 2 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.654 -0.194 17613 1390 1 2 . 1 1 116 116 ILE C C 116 177.016 177.016 178.035 -1.019 17613 1391 1 2 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.531 1.591 17613 1392 1 2 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.611 -0.288 17613 1393 1 2 . 1 1 116 116 ILE H H 116 8.004 8.004 7.956 0.048 17613 1394 1 2 . 1 1 117 117 VAL N N 117 120.234 120.234 119.993 0.241 17613 1395 1 2 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.528 -0.268 17613 1396 1 2 . 1 1 117 117 VAL C C 117 177.746 177.746 177.873 -0.127 17613 1397 1 2 . 1 1 117 117 VAL CA C 117 67.505 67.505 66.768 0.737 17613 1398 1 2 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.095 -0.342 17613 1399 1 2 . 1 1 117 117 VAL H H 117 8.121 8.121 7.418 0.703 17613 1400 1 2 . 1 1 118 118 ARG N N 118 118.415 118.415 119.378 -0.963 17613 1401 1 2 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.886 0.007 17613 1402 1 2 . 1 1 118 118 ARG C C 118 178.966 178.966 178.843 0.123 17613 1403 1 2 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.898 0.271 17613 1404 1 2 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.784 -0.082 17613 1405 1 2 . 1 1 118 118 ARG H H 118 8.026 8.026 7.737 0.289 17613 1406 1 2 . 1 1 119 119 GLU N N 119 122.419 122.419 119.760 2.659 17613 1407 1 2 . 1 1 119 119 GLU HA H 119 4.027 4.027 3.997 0.030 17613 1408 1 2 . 1 1 119 119 GLU C C 119 179.429 179.429 178.799 0.630 17613 1409 1 2 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.160 0.370 17613 1410 1 2 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.449 -0.488 17613 1411 1 2 . 1 1 119 119 GLU H H 119 7.918 7.918 7.445 0.473 17613 1412 1 2 . 1 1 120 120 PHE N N 120 119.597 119.597 119.270 0.327 17613 1413 1 2 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.891 0.131 17613 1414 1 2 . 1 1 120 120 PHE C C 120 177.698 177.698 177.913 -0.215 17613 1415 1 2 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.792 -2.925 17613 1416 1 2 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.161 -1.408 17613 1417 1 2 . 1 1 120 120 PHE H H 120 8.826 8.826 7.638 1.188 17613 1418 1 2 . 1 1 121 121 MET N N 121 116.596 116.596 117.716 -1.120 17613 1419 1 2 . 1 1 121 121 MET HA H 121 3.931 3.931 3.935 -0.004 17613 1420 1 2 . 1 1 121 121 MET C C 121 179.577 179.577 178.812 0.765 17613 1421 1 2 . 1 1 121 121 MET CA C 121 59.785 59.785 58.984 0.801 17613 1422 1 2 . 1 1 121 121 MET CB C 121 33.643 33.643 32.150 1.494 17613 1423 1 2 . 1 1 121 121 MET H H 121 8.317 8.317 8.440 -0.123 17613 1424 1 2 . 1 1 122 122 GLN N N 122 120.565 120.565 119.306 1.259 17613 1425 1 2 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.913 0.222 17613 1426 1 2 . 1 1 122 122 GLN C C 122 178.893 178.893 177.887 1.006 17613 1427 1 2 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.074 -0.329 17613 1428 1 2 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.703 -0.682 17613 1429 1 2 . 1 1 122 122 GLN H H 122 8.054 8.054 7.710 0.344 17613 1430 1 2 . 1 1 123 123 LYS N N 123 121.605 121.605 118.697 2.908 17613 1431 1 2 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.100 -0.075 17613 1432 1 2 . 1 1 123 123 LYS C C 123 179.307 179.307 179.373 -0.066 17613 1433 1 2 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.904 0.339 17613 1434 1 2 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.293 0.013 17613 1435 1 2 . 1 1 123 123 LYS H H 123 8.400 8.400 7.712 0.688 17613 1436 1 2 . 1 1 124 124 ALA N N 124 121.873 121.873 121.837 0.036 17613 1437 1 2 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.202 -0.058 17613 1438 1 2 . 1 1 124 124 ALA C C 124 179.112 179.112 179.624 -0.512 17613 1439 1 2 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.883 -0.231 17613 1440 1 2 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.316 0.618 17613 1441 1 2 . 1 1 124 124 ALA H H 124 8.601 8.601 7.946 0.655 17613 1442 1 2 . 1 1 125 125 GLY N N 125 104.755 104.755 104.303 0.452 17613 1443 1 2 . 1 1 125 125 GLY C C 125 175.553 175.553 175.582 -0.029 17613 1444 1 2 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.849 -0.558 17613 1445 1 2 . 1 1 125 125 GLY H H 125 7.949 7.949 7.972 -0.023 17613 1446 1 2 . 1 1 126 126 SER N N 126 116.080 116.080 116.000 0.080 17613 1447 1 2 . 1 1 126 126 SER HA H 126 4.447 4.447 4.363 0.084 17613 1448 1 2 . 1 1 126 126 SER C C 126 175.504 175.504 176.481 -0.977 17613 1449 1 2 . 1 1 126 126 SER CA C 126 59.965 59.965 61.273 -1.308 17613 1450 1 2 . 1 1 126 126 SER CB C 126 63.460 63.460 63.234 0.226 17613 1451 1 2 . 1 1 126 126 SER H H 126 7.861 7.861 7.628 0.233 17613 1452 1 2 . 1 1 127 127 LEU N N 127 122.372 122.372 122.270 0.102 17613 1453 1 2 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.354 -0.072 17613 1454 1 2 . 1 1 127 127 LEU C C 127 177.990 177.990 179.128 -1.138 17613 1455 1 2 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.763 -0.546 17613 1456 1 2 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.558 0.515 17613 1457 1 2 . 1 1 127 127 LEU H H 127 7.882 7.882 7.597 0.285 17613 1458 1 2 . 1 1 128 128 GLU N N 128 119.775 119.775 117.494 2.281 17613 1459 1 2 . 1 1 128 128 GLU HA H 128 3.908 3.908 3.688 0.220 17613 1460 1 2 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.626 -1.014 17613 1461 1 2 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.547 0.283 17613 1462 1 2 . 1 1 128 128 GLU H H 128 8.084 8.084 7.761 0.323 17613 1463 1 2 . 1 1 131 131 HIS N N 131 125.272 125.272 121.179 4.093 17613 1464 1 2 . 1 1 131 131 HIS H H 131 8.059 8.059 8.479 -0.420 17613 1465 1 3 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.322 0.504 17613 1466 1 3 . 1 1 3 3 ILE C C 3 173.405 173.405 175.052 -1.647 17613 1467 1 3 . 1 1 3 3 ILE CA C 3 59.556 59.556 59.687 -0.131 17613 1468 1 3 . 1 1 3 3 ILE CB C 3 40.508 40.508 41.044 -0.536 17613 1469 1 3 . 1 1 3 3 ILE H H 3 8.444 8.444 8.318 0.126 17613 1470 1 3 . 1 1 4 4 LEU N N 4 127.785 127.785 126.624 1.161 17613 1471 1 3 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.247 0.212 17613 1472 1 3 . 1 1 4 4 LEU C C 4 174.832 174.832 176.493 -1.661 17613 1473 1 3 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.331 0.010 17613 1474 1 3 . 1 1 4 4 LEU CB C 4 45.313 45.313 42.720 2.593 17613 1475 1 3 . 1 1 4 4 LEU H H 4 9.081 9.081 7.955 1.126 17613 1476 1 3 . 1 1 5 5 ILE N N 5 123.010 123.010 124.614 -1.604 17613 1477 1 3 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.459 0.374 17613 1478 1 3 . 1 1 5 5 ILE C C 5 173.357 173.357 175.130 -1.773 17613 1479 1 3 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.451 1.093 17613 1480 1 3 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.475 3.057 17613 1481 1 3 . 1 1 5 5 ILE H H 5 8.765 8.765 8.269 0.496 17613 1482 1 3 . 1 1 6 6 LEU N N 6 129.320 129.320 130.677 -1.357 17613 1483 1 3 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.189 0.157 17613 1484 1 3 . 1 1 6 6 LEU C C 6 174.795 174.795 175.021 -0.226 17613 1485 1 3 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.258 -0.258 17613 1486 1 3 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.384 1.144 17613 1487 1 3 . 1 1 6 6 LEU H H 6 9.235 9.235 8.133 1.102 17613 1488 1 3 . 1 1 7 7 ILE N N 7 120.746 120.746 126.297 -5.551 17613 1489 1 3 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.792 0.389 17613 1490 1 3 . 1 1 7 7 ILE C C 7 173.819 173.819 174.112 -0.293 17613 1491 1 3 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.229 -2.014 17613 1492 1 3 . 1 1 7 7 ILE CB C 7 40.154 40.154 40.643 -0.489 17613 1493 1 3 . 1 1 7 7 ILE H H 7 8.931 8.931 8.743 0.188 17613 1494 1 3 . 1 1 8 8 ASN N N 8 125.539 125.539 126.487 -0.948 17613 1495 1 3 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.934 -0.032 17613 1496 1 3 . 1 1 8 8 ASN C C 8 176.478 176.478 173.992 2.486 17613 1497 1 3 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.102 -0.999 17613 1498 1 3 . 1 1 8 8 ASN CB C 8 42.582 42.582 42.050 0.532 17613 1499 1 3 . 1 1 8 8 ASN H H 8 8.634 8.634 8.836 -0.202 17613 1500 1 3 . 1 1 9 9 THR N N 9 118.493 118.493 120.276 -1.783 17613 1501 1 3 . 1 1 9 9 THR HA H 9 4.739 4.739 5.114 -0.375 17613 1502 1 3 . 1 1 9 9 THR C C 9 170.114 170.114 174.431 -4.317 17613 1503 1 3 . 1 1 9 9 THR CA C 9 60.689 60.689 59.392 1.297 17613 1504 1 3 . 1 1 9 9 THR CB C 9 67.766 67.766 71.345 -3.579 17613 1505 1 3 . 1 1 9 9 THR H H 9 8.044 8.044 8.113 -0.069 17613 1506 1 3 . 1 1 10 10 ASN N N 10 123.266 123.266 123.443 -0.177 17613 1507 1 3 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.649 0.318 17613 1508 1 3 . 1 1 10 10 ASN C C 10 174.601 174.601 174.845 -0.244 17613 1509 1 3 . 1 1 10 10 ASN CA C 10 51.844 51.844 53.913 -2.069 17613 1510 1 3 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.268 0.048 17613 1511 1 3 . 1 1 10 10 ASN H H 10 8.440 8.440 8.318 0.122 17613 1512 1 3 . 1 1 11 11 ASN N N 11 120.920 120.920 119.445 1.475 17613 1513 1 3 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.893 -0.200 17613 1514 1 3 . 1 1 11 11 ASN C C 11 174.333 174.333 175.647 -1.314 17613 1515 1 3 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.276 0.160 17613 1516 1 3 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.187 -0.838 17613 1517 1 3 . 1 1 11 11 ASN H H 11 8.366 8.366 7.721 0.645 17613 1518 1 3 . 1 1 12 12 ASP N N 12 126.315 126.315 125.173 1.142 17613 1519 1 3 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.328 -0.055 17613 1520 1 3 . 1 1 12 12 ASP C C 12 178.089 178.089 177.735 0.354 17613 1521 1 3 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.946 -0.338 17613 1522 1 3 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.823 0.338 17613 1523 1 3 . 1 1 12 12 ASP H H 12 8.586 8.586 8.945 -0.359 17613 1524 1 3 . 1 1 13 13 GLU N N 13 119.325 119.325 120.069 -0.744 17613 1525 1 3 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.114 -0.088 17613 1526 1 3 . 1 1 13 13 GLU C C 13 178.893 178.893 178.544 0.349 17613 1527 1 3 . 1 1 13 13 GLU CA C 13 59.006 59.006 58.522 0.484 17613 1528 1 3 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.282 -0.573 17613 1529 1 3 . 1 1 13 13 GLU H H 13 8.289 8.289 8.709 -0.420 17613 1530 1 3 . 1 1 14 14 LEU N N 14 121.683 121.683 119.164 2.519 17613 1531 1 3 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.122 -0.137 17613 1532 1 3 . 1 1 14 14 LEU C C 14 178.309 178.309 178.798 -0.489 17613 1533 1 3 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.956 0.305 17613 1534 1 3 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.913 -0.808 17613 1535 1 3 . 1 1 14 14 LEU H H 14 7.577 7.577 7.455 0.122 17613 1536 1 3 . 1 1 15 15 ILE N N 15 119.483 119.483 119.785 -0.302 17613 1537 1 3 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.526 -0.307 17613 1538 1 3 . 1 1 15 15 ILE C C 15 177.138 177.138 177.583 -0.445 17613 1539 1 3 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.586 1.004 17613 1540 1 3 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.482 -0.058 17613 1541 1 3 . 1 1 15 15 ILE H H 15 8.238 8.238 7.781 0.457 17613 1542 1 3 . 1 1 16 16 LYS N N 16 117.596 117.596 118.595 -0.999 17613 1543 1 3 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.980 -0.137 17613 1544 1 3 . 1 1 16 16 LYS C C 16 179.577 179.577 179.166 0.411 17613 1545 1 3 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.230 0.939 17613 1546 1 3 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.886 0.278 17613 1547 1 3 . 1 1 16 16 LYS H H 16 7.604 7.604 7.635 -0.031 17613 1548 1 3 . 1 1 17 17 LYS N N 17 118.832 118.832 119.744 -0.912 17613 1549 1 3 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.117 -0.125 17613 1550 1 3 . 1 1 17 17 LYS C C 17 179.380 179.380 178.979 0.401 17613 1551 1 3 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.203 0.637 17613 1552 1 3 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.613 0.452 17613 1553 1 3 . 1 1 17 17 LYS H H 17 7.583 7.583 7.557 0.026 17613 1554 1 3 . 1 1 18 18 ILE N N 18 120.961 120.961 120.866 0.095 17613 1555 1 3 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.622 -0.250 17613 1556 1 3 . 1 1 18 18 ILE C C 18 176.967 176.967 177.724 -0.757 17613 1557 1 3 . 1 1 18 18 ILE CA C 18 65.474 65.474 64.950 0.524 17613 1558 1 3 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.540 0.016 17613 1559 1 3 . 1 1 18 18 ILE H H 18 8.785 8.785 8.223 0.562 17613 1560 1 3 . 1 1 19 19 LYS N N 19 118.324 118.324 119.640 -1.316 17613 1561 1 3 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.936 -0.256 17613 1562 1 3 . 1 1 19 19 LYS C C 19 177.746 177.746 179.350 -1.604 17613 1563 1 3 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.469 1.383 17613 1564 1 3 . 1 1 19 19 LYS CB C 19 32.326 32.326 31.782 0.544 17613 1565 1 3 . 1 1 19 19 LYS H H 19 8.532 8.532 8.321 0.211 17613 1566 1 3 . 1 1 20 20 LYS N N 20 116.284 116.284 118.553 -2.269 17613 1567 1 3 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.238 -0.151 17613 1568 1 3 . 1 1 20 20 LYS C C 20 178.406 178.406 179.111 -0.705 17613 1569 1 3 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.126 0.413 17613 1570 1 3 . 1 1 20 20 LYS CB C 20 31.981 31.981 32.299 -0.318 17613 1571 1 3 . 1 1 20 20 LYS H H 20 7.303 7.303 7.557 -0.254 17613 1572 1 3 . 1 1 21 21 GLU N N 21 118.488 118.488 119.200 -0.712 17613 1573 1 3 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.023 -0.060 17613 1574 1 3 . 1 1 21 21 GLU C C 21 179.088 179.088 178.895 0.193 17613 1575 1 3 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.243 -0.349 17613 1576 1 3 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.386 0.048 17613 1577 1 3 . 1 1 21 21 GLU H H 21 7.665 7.665 7.760 -0.095 17613 1578 1 3 . 1 1 22 22 VAL N N 22 109.032 109.032 112.974 -3.942 17613 1579 1 3 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.322 -0.190 17613 1580 1 3 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.240 -0.441 17613 1581 1 3 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.652 -2.823 17613 1582 1 3 . 1 1 22 22 VAL H H 22 8.037 8.037 7.777 0.260 17613 1583 1 3 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.598 0.119 17613 1584 1 3 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.289 3.519 17613 1585 1 3 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.492 -0.321 17613 1586 1 3 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.508 0.138 17613 1587 1 3 . 1 1 25 25 GLN C C 25 175.692 175.692 176.492 -0.800 17613 1588 1 3 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.560 0.458 17613 1589 1 3 . 1 1 26 26 GLY N N 26 106.368 106.368 107.164 -0.796 17613 1590 1 3 . 1 1 26 26 GLY C C 26 174.382 174.382 174.334 0.048 17613 1591 1 3 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.666 0.291 17613 1592 1 3 . 1 1 26 26 GLY H H 26 8.020 8.020 7.774 0.246 17613 1593 1 3 . 1 1 27 27 TYR N N 27 119.082 119.082 120.657 -1.575 17613 1594 1 3 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.863 -0.430 17613 1595 1 3 . 1 1 27 27 TYR C C 27 174.528 174.528 175.602 -1.074 17613 1596 1 3 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.012 1.042 17613 1597 1 3 . 1 1 27 27 TYR CB C 27 39.005 39.005 38.314 0.691 17613 1598 1 3 . 1 1 27 27 TYR H H 27 7.845 7.845 7.895 -0.050 17613 1599 1 3 . 1 1 28 28 GLN N N 28 120.362 120.362 124.648 -4.286 17613 1600 1 3 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.277 0.222 17613 1601 1 3 . 1 1 28 28 GLN C C 28 174.625 174.625 175.645 -1.020 17613 1602 1 3 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.664 -1.284 17613 1603 1 3 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.369 2.086 17613 1604 1 3 . 1 1 28 28 GLN H H 28 8.338 8.338 8.362 -0.024 17613 1605 1 3 . 1 1 29 29 VAL N N 29 123.482 123.482 126.040 -2.558 17613 1606 1 3 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.212 0.831 17613 1607 1 3 . 1 1 29 29 VAL C C 29 175.820 175.820 175.933 -0.113 17613 1608 1 3 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.836 -1.348 17613 1609 1 3 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.902 0.571 17613 1610 1 3 . 1 1 29 29 VAL H H 29 8.776 8.776 8.412 0.364 17613 1611 1 3 . 1 1 30 30 ARG N N 30 127.787 127.787 127.602 0.185 17613 1612 1 3 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.769 -0.029 17613 1613 1 3 . 1 1 30 30 ARG C C 30 173.332 173.332 174.203 -0.871 17613 1614 1 3 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.365 0.423 17613 1615 1 3 . 1 1 30 30 ARG CB C 30 32.391 32.391 33.669 -1.278 17613 1616 1 3 . 1 1 30 30 ARG H H 30 9.135 9.135 9.068 0.067 17613 1617 1 3 . 1 1 31 31 ASP N N 31 121.895 121.895 119.741 2.154 17613 1618 1 3 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.534 -0.324 17613 1619 1 3 . 1 1 31 31 ASP C C 31 175.282 175.282 174.420 0.862 17613 1620 1 3 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.775 0.595 17613 1621 1 3 . 1 1 31 31 ASP CB C 31 42.722 42.722 44.058 -1.336 17613 1622 1 3 . 1 1 31 31 ASP H H 31 8.377 8.377 8.323 0.054 17613 1623 1 3 . 1 1 32 32 VAL N N 32 120.426 120.426 120.251 0.175 17613 1624 1 3 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.348 -0.100 17613 1625 1 3 . 1 1 32 32 VAL C C 32 174.114 174.114 174.598 -0.484 17613 1626 1 3 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.518 0.039 17613 1627 1 3 . 1 1 32 32 VAL CB C 32 33.884 33.884 34.262 -0.378 17613 1628 1 3 . 1 1 32 32 VAL H H 32 8.441 8.441 8.696 -0.255 17613 1629 1 3 . 1 1 33 33 ASN N N 33 122.700 122.700 123.437 -0.737 17613 1630 1 3 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.917 0.060 17613 1631 1 3 . 1 1 33 33 ASN C C 33 174.235 174.235 173.746 0.489 17613 1632 1 3 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.132 0.264 17613 1633 1 3 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.453 0.416 17613 1634 1 3 . 1 1 33 33 ASN H H 33 9.550 9.550 8.906 0.644 17613 1635 1 3 . 1 1 34 34 ASP N N 34 114.885 114.885 119.380 -4.495 17613 1636 1 3 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.807 -0.104 17613 1637 1 3 . 1 1 34 34 ASP C C 34 175.626 175.626 176.390 -0.764 17613 1638 1 3 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.864 0.619 17613 1639 1 3 . 1 1 34 34 ASP CB C 34 42.396 42.396 42.662 -0.266 17613 1640 1 3 . 1 1 34 34 ASP H H 34 7.616 7.616 7.969 -0.353 17613 1641 1 3 . 1 1 35 35 SER N N 35 114.381 114.381 119.468 -5.087 17613 1642 1 3 . 1 1 35 35 SER HA H 35 4.046 4.046 4.186 -0.140 17613 1643 1 3 . 1 1 35 35 SER C C 35 175.991 175.991 176.293 -0.302 17613 1644 1 3 . 1 1 35 35 SER CA C 35 61.446 61.446 61.499 -0.053 17613 1645 1 3 . 1 1 35 35 SER CB C 35 62.764 62.764 63.462 -0.698 17613 1646 1 3 . 1 1 35 35 SER H H 35 8.869 8.869 8.632 0.237 17613 1647 1 3 . 1 1 36 36 ASP N N 36 124.695 124.695 121.559 3.136 17613 1648 1 3 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.456 0.063 17613 1649 1 3 . 1 1 36 36 ASP C C 36 179.136 179.136 178.423 0.713 17613 1650 1 3 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.199 0.469 17613 1651 1 3 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.879 -0.595 17613 1652 1 3 . 1 1 36 36 ASP H H 36 8.388 8.388 8.680 -0.292 17613 1653 1 3 . 1 1 37 37 GLU N N 37 122.449 122.449 119.799 2.650 17613 1654 1 3 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.043 0.016 17613 1655 1 3 . 1 1 37 37 GLU C C 37 178.698 178.698 178.790 -0.092 17613 1656 1 3 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.898 0.311 17613 1657 1 3 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.520 0.201 17613 1658 1 3 . 1 1 37 37 GLU H H 37 9.009 9.009 7.921 1.088 17613 1659 1 3 . 1 1 38 38 LEU N N 38 119.580 119.580 121.765 -2.185 17613 1660 1 3 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.988 -0.077 17613 1661 1 3 . 1 1 38 38 LEU C C 38 177.649 177.649 178.721 -1.072 17613 1662 1 3 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.324 0.809 17613 1663 1 3 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.955 -0.886 17613 1664 1 3 . 1 1 38 38 LEU H H 38 8.203 8.203 7.835 0.368 17613 1665 1 3 . 1 1 39 39 LYS N N 39 118.404 118.404 118.399 0.005 17613 1666 1 3 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.993 -0.152 17613 1667 1 3 . 1 1 39 39 LYS C C 39 179.577 179.577 178.871 0.706 17613 1668 1 3 . 1 1 39 39 LYS CA C 39 59.866 59.866 60.004 -0.138 17613 1669 1 3 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.148 -0.100 17613 1670 1 3 . 1 1 39 39 LYS H H 39 7.829 7.829 7.887 -0.058 17613 1671 1 3 . 1 1 40 40 LYS N N 40 119.271 119.271 117.875 1.396 17613 1672 1 3 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.082 -0.060 17613 1673 1 3 . 1 1 40 40 LYS C C 40 179.577 179.577 178.780 0.797 17613 1674 1 3 . 1 1 40 40 LYS CA C 40 59.590 59.590 59.356 0.234 17613 1675 1 3 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.893 0.507 17613 1676 1 3 . 1 1 40 40 LYS H H 40 7.779 7.779 7.541 0.238 17613 1677 1 3 . 1 1 41 41 GLU N N 41 119.647 119.647 120.602 -0.955 17613 1678 1 3 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.065 0.198 17613 1679 1 3 . 1 1 41 41 GLU C C 41 179.504 179.504 178.924 0.580 17613 1680 1 3 . 1 1 41 41 GLU CA C 41 58.074 58.074 59.040 -0.966 17613 1681 1 3 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.303 -1.057 17613 1682 1 3 . 1 1 41 41 GLU H H 41 8.721 8.721 8.144 0.577 17613 1683 1 3 . 1 1 42 42 MET N N 42 118.114 118.114 117.288 0.826 17613 1684 1 3 . 1 1 42 42 MET HA H 42 4.383 4.383 4.273 0.110 17613 1685 1 3 . 1 1 42 42 MET C C 42 179.185 179.185 178.816 0.369 17613 1686 1 3 . 1 1 42 42 MET CA C 42 57.054 57.054 56.606 0.448 17613 1687 1 3 . 1 1 42 42 MET CB C 42 31.254 31.254 31.344 -0.090 17613 1688 1 3 . 1 1 42 42 MET H H 42 8.779 8.779 7.772 1.007 17613 1689 1 3 . 1 1 43 43 LYS N N 43 120.740 120.740 120.097 0.643 17613 1690 1 3 . 1 1 43 43 LYS HA H 43 4.088 4.088 3.966 0.122 17613 1691 1 3 . 1 1 43 43 LYS C C 43 178.187 178.187 178.911 -0.724 17613 1692 1 3 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.736 -0.346 17613 1693 1 3 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.050 -0.088 17613 1694 1 3 . 1 1 43 43 LYS H H 43 7.499 7.499 7.723 -0.224 17613 1695 1 3 . 1 1 44 44 LYS N N 44 118.269 118.269 118.836 -0.567 17613 1696 1 3 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.180 -0.119 17613 1697 1 3 . 1 1 44 44 LYS C C 44 179.601 179.601 179.295 0.306 17613 1698 1 3 . 1 1 44 44 LYS CA C 44 59.500 59.500 57.998 1.502 17613 1699 1 3 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.051 0.019 17613 1700 1 3 . 1 1 44 44 LYS H H 44 7.445 7.445 7.611 -0.166 17613 1701 1 3 . 1 1 45 45 LEU N N 45 117.785 117.785 118.304 -0.519 17613 1702 1 3 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.010 0.138 17613 1703 1 3 . 1 1 45 45 LEU C C 45 178.357 178.357 178.399 -0.042 17613 1704 1 3 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.900 -0.713 17613 1705 1 3 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.483 0.290 17613 1706 1 3 . 1 1 45 45 LEU H H 45 8.161 8.161 8.491 -0.330 17613 1707 1 3 . 1 1 46 46 ALA N N 46 118.538 118.538 119.903 -1.365 17613 1708 1 3 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.393 -0.141 17613 1709 1 3 . 1 1 46 46 ALA C C 46 178.893 178.893 178.751 0.142 17613 1710 1 3 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.239 0.433 17613 1711 1 3 . 1 1 46 46 ALA CB C 46 18.882 18.882 19.087 -0.205 17613 1712 1 3 . 1 1 46 46 ALA H H 46 7.637 7.637 7.336 0.301 17613 1713 1 3 . 1 1 47 47 GLU N N 47 115.492 115.492 117.774 -2.282 17613 1714 1 3 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.141 0.109 17613 1715 1 3 . 1 1 47 47 GLU C C 47 176.478 176.478 177.080 -0.602 17613 1716 1 3 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.719 -0.788 17613 1717 1 3 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.160 0.257 17613 1718 1 3 . 1 1 47 47 GLU H H 47 7.713 7.713 8.054 -0.341 17613 1719 1 3 . 1 1 48 48 GLU N N 48 120.573 120.573 119.081 1.492 17613 1720 1 3 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.394 -0.021 17613 1721 1 3 . 1 1 48 48 GLU C C 48 173.624 173.624 176.305 -2.681 17613 1722 1 3 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.446 0.575 17613 1723 1 3 . 1 1 48 48 GLU CB C 48 29.910 29.910 30.670 -0.760 17613 1724 1 3 . 1 1 48 48 GLU H H 48 7.748 7.748 7.748 -0.000 17613 1725 1 3 . 1 1 49 49 LYS N N 49 124.420 124.420 124.014 0.406 17613 1726 1 3 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.518 -0.200 17613 1727 1 3 . 1 1 49 49 LYS C C 49 176.843 176.843 175.985 0.858 17613 1728 1 3 . 1 1 49 49 LYS CA C 49 56.517 56.517 55.054 1.463 17613 1729 1 3 . 1 1 49 49 LYS CB C 49 32.462 32.462 33.257 -0.795 17613 1730 1 3 . 1 1 49 49 LYS H H 49 8.607 8.607 8.457 0.150 17613 1731 1 3 . 1 1 50 50 ASN N N 50 117.993 117.993 119.821 -1.828 17613 1732 1 3 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.212 0.412 17613 1733 1 3 . 1 1 50 50 ASN C C 50 176.454 176.454 175.716 0.738 17613 1734 1 3 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.997 -0.442 17613 1735 1 3 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.060 -0.024 17613 1736 1 3 . 1 1 50 50 ASN H H 50 8.723 8.723 7.920 0.803 17613 1737 1 3 . 1 1 51 51 PHE N N 51 120.700 120.700 116.918 3.782 17613 1738 1 3 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.701 0.057 17613 1739 1 3 . 1 1 51 51 PHE CA C 51 57.935 57.935 57.538 0.397 17613 1740 1 3 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.543 0.432 17613 1741 1 3 . 1 1 51 51 PHE H H 51 8.341 8.341 8.539 -0.198 17613 1742 1 3 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.225 0.033 17613 1743 1 3 . 1 1 52 52 GLU C C 52 173.600 173.600 175.895 -2.295 17613 1744 1 3 . 1 1 52 52 GLU CA C 52 56.254 56.254 55.901 0.353 17613 1745 1 3 . 1 1 52 52 GLU CB C 52 33.459 33.459 29.130 4.329 17613 1746 1 3 . 1 1 53 53 LYS N N 53 119.964 119.964 122.863 -2.899 17613 1747 1 3 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.088 0.601 17613 1748 1 3 . 1 1 53 53 LYS C C 53 174.430 174.430 175.037 -0.607 17613 1749 1 3 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.285 0.071 17613 1750 1 3 . 1 1 53 53 LYS CB C 53 31.445 31.445 32.346 -0.901 17613 1751 1 3 . 1 1 53 53 LYS H H 53 7.962 7.962 7.962 -0.000 17613 1752 1 3 . 1 1 54 54 ILE N N 54 124.730 124.730 122.319 2.411 17613 1753 1 3 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.643 0.203 17613 1754 1 3 . 1 1 54 54 ILE C C 54 173.089 173.089 174.831 -1.742 17613 1755 1 3 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.366 0.898 17613 1756 1 3 . 1 1 54 54 ILE CB C 54 41.953 41.953 39.836 2.117 17613 1757 1 3 . 1 1 54 54 ILE H H 54 8.804 8.804 7.995 0.809 17613 1758 1 3 . 1 1 55 55 LEU N N 55 130.086 130.086 126.761 3.325 17613 1759 1 3 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.028 0.613 17613 1760 1 3 . 1 1 55 55 LEU C C 55 174.430 174.430 174.707 -0.277 17613 1761 1 3 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.672 -0.170 17613 1762 1 3 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.572 -0.370 17613 1763 1 3 . 1 1 55 55 LEU H H 55 9.103 9.103 8.535 0.568 17613 1764 1 3 . 1 1 56 56 ILE N N 56 125.983 125.983 126.518 -0.535 17613 1765 1 3 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.717 0.340 17613 1766 1 3 . 1 1 56 56 ILE C C 56 174.089 174.089 175.228 -1.139 17613 1767 1 3 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.651 0.459 17613 1768 1 3 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.168 1.655 17613 1769 1 3 . 1 1 56 56 ILE H H 56 9.182 9.182 8.553 0.629 17613 1770 1 3 . 1 1 57 57 ILE N N 57 127.241 127.241 129.422 -2.181 17613 1771 1 3 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.827 0.085 17613 1772 1 3 . 1 1 57 57 ILE C C 57 174.869 174.869 175.225 -0.356 17613 1773 1 3 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.765 -1.510 17613 1774 1 3 . 1 1 57 57 ILE CB C 57 38.951 38.951 38.988 -0.037 17613 1775 1 3 . 1 1 57 57 ILE H H 57 8.541 8.541 8.874 -0.333 17613 1776 1 3 . 1 1 58 58 SER N N 58 119.270 119.270 121.483 -2.213 17613 1777 1 3 . 1 1 58 58 SER HA H 58 5.007 5.007 5.220 -0.213 17613 1778 1 3 . 1 1 58 58 SER C C 58 174.211 174.211 173.686 0.525 17613 1779 1 3 . 1 1 58 58 SER CA C 58 56.727 56.727 55.644 1.083 17613 1780 1 3 . 1 1 58 58 SER CB C 58 66.615 66.615 65.470 1.145 17613 1781 1 3 . 1 1 58 58 SER H H 58 8.810 8.810 8.572 0.238 17613 1782 1 3 . 1 1 59 59 ASN N N 59 122.382 122.382 122.999 -0.617 17613 1783 1 3 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.001 -0.290 17613 1784 1 3 . 1 1 59 59 ASN C C 59 174.795 174.795 174.466 0.329 17613 1785 1 3 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.294 -0.787 17613 1786 1 3 . 1 1 59 59 ASN CB C 59 38.962 38.962 40.224 -1.262 17613 1787 1 3 . 1 1 59 59 ASN H H 59 8.794 8.794 8.817 -0.023 17613 1788 1 3 . 1 1 60 60 ASP N N 60 119.744 119.744 120.400 -0.656 17613 1789 1 3 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.823 0.040 17613 1790 1 3 . 1 1 60 60 ASP C C 60 176.015 176.015 176.088 -0.073 17613 1791 1 3 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.853 0.244 17613 1792 1 3 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.395 -0.446 17613 1793 1 3 . 1 1 60 60 ASP H H 60 7.857 7.857 7.520 0.337 17613 1794 1 3 . 1 1 61 61 LYS N N 61 125.818 125.818 124.915 0.903 17613 1795 1 3 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.081 -0.359 17613 1796 1 3 . 1 1 61 61 LYS C C 61 177.673 177.673 178.122 -0.449 17613 1797 1 3 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.812 -0.180 17613 1798 1 3 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.314 -0.796 17613 1799 1 3 . 1 1 61 61 LYS H H 61 8.904 8.904 8.628 0.276 17613 1800 1 3 . 1 1 62 62 GLN N N 62 118.918 118.918 119.905 -0.987 17613 1801 1 3 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.209 -0.104 17613 1802 1 3 . 1 1 62 62 GLN C C 62 178.747 178.747 177.928 0.819 17613 1803 1 3 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.599 -0.298 17613 1804 1 3 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.866 -0.419 17613 1805 1 3 . 1 1 62 62 GLN H H 62 8.434 8.434 7.760 0.674 17613 1806 1 3 . 1 1 63 63 LEU N N 63 120.071 120.071 120.367 -0.296 17613 1807 1 3 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.000 0.134 17613 1808 1 3 . 1 1 63 63 LEU C C 63 178.552 178.552 178.959 -0.407 17613 1809 1 3 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.831 -1.188 17613 1810 1 3 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.677 -0.783 17613 1811 1 3 . 1 1 63 63 LEU H H 63 7.671 7.671 8.144 -0.473 17613 1812 1 3 . 1 1 64 64 LEU N N 64 117.705 117.705 119.827 -2.122 17613 1813 1 3 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.909 -0.002 17613 1814 1 3 . 1 1 64 64 LEU C C 64 172.526 172.526 178.467 -5.941 17613 1815 1 3 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.460 -0.682 17613 1816 1 3 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.872 -0.522 17613 1817 1 3 . 1 1 64 64 LEU H H 64 7.626 7.626 7.769 -0.143 17613 1818 1 3 . 1 1 65 65 LYS N N 65 118.311 118.311 119.231 -0.920 17613 1819 1 3 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.934 -0.140 17613 1820 1 3 . 1 1 65 65 LYS C C 65 178.479 178.479 179.022 -0.543 17613 1821 1 3 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.148 0.078 17613 1822 1 3 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.239 0.027 17613 1823 1 3 . 1 1 65 65 LYS H H 65 8.038 8.038 8.132 -0.094 17613 1824 1 3 . 1 1 66 66 GLU N N 66 119.362 119.362 118.430 0.932 17613 1825 1 3 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.046 -0.020 17613 1826 1 3 . 1 1 66 66 GLU C C 66 178.893 178.893 179.064 -0.171 17613 1827 1 3 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.717 0.402 17613 1828 1 3 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.205 0.057 17613 1829 1 3 . 1 1 66 66 GLU H H 66 7.803 7.803 7.808 -0.005 17613 1830 1 3 . 1 1 67 67 MET N N 67 118.398 118.398 120.868 -2.470 17613 1831 1 3 . 1 1 67 67 MET HA H 67 3.948 3.948 4.079 -0.131 17613 1832 1 3 . 1 1 67 67 MET C C 67 177.527 177.527 178.117 -0.590 17613 1833 1 3 . 1 1 67 67 MET CA C 67 59.963 59.963 58.693 1.270 17613 1834 1 3 . 1 1 67 67 MET CB C 67 33.443 33.443 32.430 1.013 17613 1835 1 3 . 1 1 67 67 MET H H 67 8.394 8.394 8.087 0.307 17613 1836 1 3 . 1 1 68 68 LEU N N 68 118.269 118.269 117.813 0.456 17613 1837 1 3 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.870 -0.091 17613 1838 1 3 . 1 1 68 68 LEU C C 68 178.869 178.869 179.425 -0.556 17613 1839 1 3 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.679 0.262 17613 1840 1 3 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.120 -0.245 17613 1841 1 3 . 1 1 68 68 LEU H H 68 8.471 8.471 7.995 0.476 17613 1842 1 3 . 1 1 69 69 GLU N N 69 118.681 118.681 119.723 -1.042 17613 1843 1 3 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.145 -0.090 17613 1844 1 3 . 1 1 69 69 GLU C C 69 179.063 179.063 179.517 -0.454 17613 1845 1 3 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.204 0.220 17613 1846 1 3 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.735 -0.595 17613 1847 1 3 . 1 1 69 69 GLU H H 69 7.627 7.627 7.910 -0.283 17613 1848 1 3 . 1 1 70 70 LEU N N 70 119.503 119.503 120.258 -0.755 17613 1849 1 3 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.069 0.092 17613 1850 1 3 . 1 1 70 70 LEU C C 70 179.699 179.699 179.082 0.617 17613 1851 1 3 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.671 0.103 17613 1852 1 3 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.042 -0.098 17613 1853 1 3 . 1 1 70 70 LEU H H 70 7.717 7.717 7.913 -0.196 17613 1854 1 3 . 1 1 71 71 ILE N N 71 116.791 116.791 120.126 -3.335 17613 1855 1 3 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.712 0.025 17613 1856 1 3 . 1 1 71 71 ILE C C 71 178.357 178.357 178.272 0.085 17613 1857 1 3 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.528 -1.286 17613 1858 1 3 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.509 0.392 17613 1859 1 3 . 1 1 71 71 ILE H H 71 8.598 8.598 8.362 0.236 17613 1860 1 3 . 1 1 72 72 SER N N 72 116.517 116.517 115.729 0.788 17613 1861 1 3 . 1 1 72 72 SER HA H 72 4.365 4.365 4.338 0.027 17613 1862 1 3 . 1 1 72 72 SER C C 72 176.845 176.845 176.140 0.705 17613 1863 1 3 . 1 1 72 72 SER CA C 72 61.365 61.365 61.238 0.127 17613 1864 1 3 . 1 1 72 72 SER CB C 72 62.780 62.780 62.831 -0.052 17613 1865 1 3 . 1 1 72 72 SER H H 72 8.023 8.023 8.128 -0.105 17613 1866 1 3 . 1 1 73 73 LYS N N 73 120.731 120.731 120.582 0.149 17613 1867 1 3 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.158 0.133 17613 1868 1 3 . 1 1 73 73 LYS C C 73 177.771 177.771 177.916 -0.145 17613 1869 1 3 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.564 -0.088 17613 1870 1 3 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.038 0.108 17613 1871 1 3 . 1 1 73 73 LYS H H 73 7.723 7.723 7.344 0.379 17613 1872 1 3 . 1 1 74 74 LEU N N 74 117.572 117.572 117.165 0.407 17613 1873 1 3 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.154 0.073 17613 1874 1 3 . 1 1 74 74 LEU C C 74 177.332 177.332 177.137 0.195 17613 1875 1 3 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.414 -0.215 17613 1876 1 3 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.325 -0.839 17613 1877 1 3 . 1 1 74 74 LEU H H 74 7.609 7.609 7.636 -0.027 17613 1878 1 3 . 1 1 75 75 GLY N N 75 105.991 105.991 104.610 1.381 17613 1879 1 3 . 1 1 75 75 GLY C C 75 174.771 174.771 173.868 0.903 17613 1880 1 3 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.286 0.556 17613 1881 1 3 . 1 1 75 75 GLY H H 75 7.925 7.925 7.560 0.365 17613 1882 1 3 . 1 1 76 76 TYR N N 76 118.452 118.452 117.196 1.256 17613 1883 1 3 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.761 0.017 17613 1884 1 3 . 1 1 76 76 TYR C C 76 175.234 175.234 174.408 0.826 17613 1885 1 3 . 1 1 76 76 TYR CA C 76 55.504 55.504 55.700 -0.196 17613 1886 1 3 . 1 1 76 76 TYR CB C 76 37.962 37.962 40.487 -2.526 17613 1887 1 3 . 1 1 76 76 TYR H H 76 7.366 7.366 7.642 -0.276 17613 1888 1 3 . 1 1 77 77 LYS N N 77 122.866 122.866 120.905 1.961 17613 1889 1 3 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.676 -0.128 17613 1890 1 3 . 1 1 77 77 LYS C C 77 174.138 174.138 174.933 -0.795 17613 1891 1 3 . 1 1 77 77 LYS CA C 77 55.070 55.070 54.794 0.276 17613 1892 1 3 . 1 1 77 77 LYS CB C 77 32.217 32.217 34.235 -2.018 17613 1893 1 3 . 1 1 77 77 LYS H H 77 8.290 8.290 8.702 -0.412 17613 1894 1 3 . 1 1 78 78 VAL N N 78 124.071 124.071 123.004 1.067 17613 1895 1 3 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.496 0.670 17613 1896 1 3 . 1 1 78 78 VAL C C 78 174.162 174.162 174.276 -0.114 17613 1897 1 3 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.154 0.075 17613 1898 1 3 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.458 0.897 17613 1899 1 3 . 1 1 78 78 VAL H H 78 7.830 7.830 7.857 -0.027 17613 1900 1 3 . 1 1 79 79 PHE N N 79 126.174 126.174 123.446 2.728 17613 1901 1 3 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.556 0.011 17613 1902 1 3 . 1 1 79 79 PHE C C 79 173.357 173.357 174.172 -0.815 17613 1903 1 3 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.541 -0.588 17613 1904 1 3 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.368 -0.184 17613 1905 1 3 . 1 1 79 79 PHE H H 79 8.374 8.374 7.972 0.402 17613 1906 1 3 . 1 1 80 80 LEU N N 80 123.959 123.959 126.274 -2.315 17613 1907 1 3 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.276 0.270 17613 1908 1 3 . 1 1 80 80 LEU C C 80 173.503 173.503 174.526 -1.023 17613 1909 1 3 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.047 0.952 17613 1910 1 3 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.262 0.405 17613 1911 1 3 . 1 1 80 80 LEU H H 80 8.601 8.601 8.270 0.331 17613 1912 1 3 . 1 1 81 81 LEU N N 81 126.694 126.694 128.719 -2.025 17613 1913 1 3 . 1 1 81 81 LEU HA H 81 5.269 5.269 4.927 0.342 17613 1914 1 3 . 1 1 81 81 LEU C C 81 173.649 173.649 174.413 -0.764 17613 1915 1 3 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.597 -0.534 17613 1916 1 3 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.542 1.235 17613 1917 1 3 . 1 1 81 81 LEU H H 81 9.063 9.063 8.914 0.149 17613 1918 1 3 . 1 1 82 82 LEU N N 82 124.888 124.888 128.454 -3.566 17613 1919 1 3 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.989 -0.078 17613 1920 1 3 . 1 1 82 82 LEU C C 82 174.479 174.479 175.233 -0.754 17613 1921 1 3 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.815 -0.680 17613 1922 1 3 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.711 1.511 17613 1923 1 3 . 1 1 82 82 LEU H H 82 8.864 8.864 8.317 0.547 17613 1924 1 3 . 1 1 83 83 GLN N N 83 122.153 122.153 125.150 -2.997 17613 1925 1 3 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.244 0.016 17613 1926 1 3 . 1 1 83 83 GLN C C 83 174.333 174.333 174.355 -0.022 17613 1927 1 3 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.465 0.121 17613 1928 1 3 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.733 -1.863 17613 1929 1 3 . 1 1 83 83 GLN H H 83 8.437 8.437 8.703 -0.266 17613 1930 1 3 . 1 1 84 84 ASP N N 84 124.451 124.451 124.707 -0.256 17613 1931 1 3 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.900 -0.398 17613 1932 1 3 . 1 1 84 84 ASP C C 84 174.308 174.308 175.433 -1.125 17613 1933 1 3 . 1 1 84 84 ASP CA C 84 54.015 54.015 52.439 1.576 17613 1934 1 3 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.310 -0.540 17613 1935 1 3 . 1 1 84 84 ASP H H 84 8.205 8.205 8.097 0.108 17613 1936 1 3 . 1 1 85 85 GLN N N 85 120.202 120.202 117.872 2.330 17613 1937 1 3 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.278 0.056 17613 1938 1 3 . 1 1 85 85 GLN C C 85 175.431 175.431 175.197 0.234 17613 1939 1 3 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.481 0.114 17613 1940 1 3 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.511 -0.177 17613 1941 1 3 . 1 1 85 85 GLN H H 85 8.617 8.617 8.459 0.158 17613 1942 1 3 . 1 1 86 86 ASP N N 86 120.508 120.508 120.106 0.402 17613 1943 1 3 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.857 -0.172 17613 1944 1 3 . 1 1 86 86 ASP C C 86 175.747 175.747 175.734 0.013 17613 1945 1 3 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.078 0.434 17613 1946 1 3 . 1 1 86 86 ASP CB C 86 40.957 40.957 42.767 -1.810 17613 1947 1 3 . 1 1 86 86 ASP H H 86 8.691 8.691 8.073 0.618 17613 1948 1 3 . 1 1 87 87 GLU N N 87 123.604 123.604 124.346 -0.742 17613 1949 1 3 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.192 -0.157 17613 1950 1 3 . 1 1 87 87 GLU C C 87 177.771 177.771 178.149 -0.378 17613 1951 1 3 . 1 1 87 87 GLU CA C 87 58.522 58.522 58.742 -0.220 17613 1952 1 3 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.987 -0.412 17613 1953 1 3 . 1 1 87 87 GLU H H 87 8.642 8.642 8.944 -0.302 17613 1954 1 3 . 1 1 88 88 ASN N N 88 118.838 118.838 119.401 -0.563 17613 1955 1 3 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.539 0.022 17613 1956 1 3 . 1 1 88 88 ASN C C 88 177.089 177.089 177.654 -0.565 17613 1957 1 3 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.546 -0.904 17613 1958 1 3 . 1 1 88 88 ASN CB C 88 38.166 38.166 38.492 -0.326 17613 1959 1 3 . 1 1 88 88 ASN H H 88 8.527 8.527 8.140 0.387 17613 1960 1 3 . 1 1 89 89 GLU N N 89 120.947 120.947 119.836 1.111 17613 1961 1 3 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.186 -0.039 17613 1962 1 3 . 1 1 89 89 GLU C C 89 178.357 178.357 179.096 -0.739 17613 1963 1 3 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.491 -0.240 17613 1964 1 3 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.139 0.105 17613 1965 1 3 . 1 1 89 89 GLU H H 89 8.221 8.221 8.303 -0.082 17613 1966 1 3 . 1 1 90 90 LEU N N 90 119.582 119.582 120.963 -1.381 17613 1967 1 3 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.153 0.052 17613 1968 1 3 . 1 1 90 90 LEU C C 90 177.917 177.917 178.836 -0.919 17613 1969 1 3 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.044 -1.101 17613 1970 1 3 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.888 0.568 17613 1971 1 3 . 1 1 90 90 LEU H H 90 8.047 8.047 7.684 0.363 17613 1972 1 3 . 1 1 91 91 GLU N N 91 119.029 119.029 119.704 -0.675 17613 1973 1 3 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.023 0.050 17613 1974 1 3 . 1 1 91 91 GLU C C 91 178.284 178.284 178.723 -0.439 17613 1975 1 3 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.403 -0.274 17613 1976 1 3 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.271 -0.301 17613 1977 1 3 . 1 1 91 91 GLU H H 91 7.940 7.940 8.027 -0.087 17613 1978 1 3 . 1 1 92 92 GLU N N 92 118.667 118.667 119.630 -0.963 17613 1979 1 3 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.050 -0.018 17613 1980 1 3 . 1 1 92 92 GLU C C 92 178.103 178.103 179.357 -1.254 17613 1981 1 3 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.150 0.102 17613 1982 1 3 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.649 -0.717 17613 1983 1 3 . 1 1 92 92 GLU H H 92 8.088 8.088 8.041 0.047 17613 1984 1 3 . 1 1 93 93 PHE N N 93 120.118 120.118 119.372 0.746 17613 1985 1 3 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.291 0.049 17613 1986 1 3 . 1 1 93 93 PHE C C 93 176.894 176.894 176.868 0.026 17613 1987 1 3 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.009 0.436 17613 1988 1 3 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.508 -0.521 17613 1989 1 3 . 1 1 93 93 PHE H H 93 8.103 8.103 8.044 0.059 17613 1990 1 3 . 1 1 94 94 LYS N N 94 118.941 118.941 120.737 -1.796 17613 1991 1 3 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.744 -0.127 17613 1992 1 3 . 1 1 94 94 LYS C C 94 177.600 177.600 178.496 -0.896 17613 1993 1 3 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.903 0.173 17613 1994 1 3 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.527 -0.062 17613 1995 1 3 . 1 1 94 94 LYS H H 94 8.606 8.606 7.930 0.676 17613 1996 1 3 . 1 1 95 95 ARG N N 95 117.194 117.194 117.027 0.167 17613 1997 1 3 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.035 0.115 17613 1998 1 3 . 1 1 95 95 ARG C C 95 179.404 179.404 178.611 0.793 17613 1999 1 3 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.853 0.249 17613 2000 1 3 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.782 0.037 17613 2001 1 3 . 1 1 95 95 ARG H H 95 8.159 8.159 8.065 0.094 17613 2002 1 3 . 1 1 96 96 LYS N N 96 119.582 119.582 119.690 -0.108 17613 2003 1 3 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.069 -0.004 17613 2004 1 3 . 1 1 96 96 LYS C C 96 179.034 179.034 178.390 0.644 17613 2005 1 3 . 1 1 96 96 LYS CA C 96 58.934 58.934 58.866 0.068 17613 2006 1 3 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.087 -0.018 17613 2007 1 3 . 1 1 96 96 LYS H H 96 7.786 7.786 7.434 0.352 17613 2008 1 3 . 1 1 97 97 ILE N N 97 118.550 118.550 117.958 0.592 17613 2009 1 3 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.985 -0.047 17613 2010 1 3 . 1 1 97 97 ILE C C 97 178.284 178.284 177.568 0.716 17613 2011 1 3 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.165 -0.596 17613 2012 1 3 . 1 1 97 97 ILE CB C 97 37.206 37.206 38.309 -1.103 17613 2013 1 3 . 1 1 97 97 ILE H H 97 7.831 7.831 7.468 0.363 17613 2014 1 3 . 1 1 98 98 GLU N N 98 121.984 121.984 121.832 0.152 17613 2015 1 3 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.024 0.312 17613 2016 1 3 . 1 1 98 98 GLU C C 98 180.040 180.040 178.720 1.320 17613 2017 1 3 . 1 1 98 98 GLU CA C 98 58.950 58.950 59.038 -0.087 17613 2018 1 3 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.293 0.142 17613 2019 1 3 . 1 1 98 98 GLU H H 98 8.670 8.670 8.277 0.393 17613 2020 1 3 . 1 1 99 99 SER N N 99 115.499 115.499 114.951 0.548 17613 2021 1 3 . 1 1 99 99 SER HA H 99 4.343 4.343 4.251 0.092 17613 2022 1 3 . 1 1 99 99 SER C C 99 174.820 174.820 175.852 -1.032 17613 2023 1 3 . 1 1 99 99 SER CA C 99 60.410 60.410 60.692 -0.282 17613 2024 1 3 . 1 1 99 99 SER CB C 99 62.680 62.680 62.912 -0.232 17613 2025 1 3 . 1 1 99 99 SER H H 99 8.099 8.099 7.808 0.291 17613 2026 1 3 . 1 1 100 100 GLN N N 100 119.301 119.301 118.835 0.466 17613 2027 1 3 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.198 0.112 17613 2028 1 3 . 1 1 100 100 GLN C C 100 175.857 175.857 175.493 0.364 17613 2029 1 3 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.426 0.500 17613 2030 1 3 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.759 0.453 17613 2031 1 3 . 1 1 100 100 GLN H H 100 7.623 7.623 7.272 0.351 17613 2032 1 3 . 1 1 101 101 GLY N N 101 105.765 105.765 106.848 -1.083 17613 2033 1 3 . 1 1 101 101 GLY C C 101 173.748 173.748 173.611 0.137 17613 2034 1 3 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.242 -0.039 17613 2035 1 3 . 1 1 101 101 GLY H H 101 7.945 7.945 7.521 0.424 17613 2036 1 3 . 1 1 102 102 TYR N N 102 117.993 117.993 117.510 0.483 17613 2037 1 3 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.666 0.006 17613 2038 1 3 . 1 1 102 102 TYR C C 102 174.747 174.747 175.774 -1.027 17613 2039 1 3 . 1 1 102 102 TYR CA C 102 56.254 56.254 54.693 1.561 17613 2040 1 3 . 1 1 102 102 TYR CB C 102 39.048 39.048 39.200 -0.152 17613 2041 1 3 . 1 1 102 102 TYR H H 102 6.890 6.890 7.355 -0.465 17613 2042 1 3 . 1 1 103 103 GLU N N 103 122.864 122.864 124.742 -1.878 17613 2043 1 3 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.370 0.137 17613 2044 1 3 . 1 1 103 103 GLU C C 103 174.162 174.162 175.625 -1.463 17613 2045 1 3 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.820 -0.436 17613 2046 1 3 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.872 1.499 17613 2047 1 3 . 1 1 103 103 GLU H H 103 8.318 8.318 8.888 -0.570 17613 2048 1 3 . 1 1 104 104 VAL N N 104 124.342 124.342 124.887 -0.545 17613 2049 1 3 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.988 0.240 17613 2050 1 3 . 1 1 104 104 VAL C C 104 174.235 174.235 176.034 -1.799 17613 2051 1 3 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.125 -1.845 17613 2052 1 3 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.078 1.089 17613 2053 1 3 . 1 1 104 104 VAL H H 104 8.651 8.651 7.853 0.798 17613 2054 1 3 . 1 1 105 105 ARG N N 105 124.856 124.856 127.077 -2.221 17613 2055 1 3 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.795 0.120 17613 2056 1 3 . 1 1 105 105 ARG C C 105 173.917 173.917 175.088 -1.171 17613 2057 1 3 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.729 -1.264 17613 2058 1 3 . 1 1 105 105 ARG CB C 105 32.955 32.955 34.415 -1.460 17613 2059 1 3 . 1 1 105 105 ARG H H 105 8.705 8.705 8.836 -0.131 17613 2060 1 3 . 1 1 106 106 LYS N N 106 121.499 121.499 123.039 -1.540 17613 2061 1 3 . 1 1 106 106 LYS HA H 106 5.578 5.578 4.958 0.620 17613 2062 1 3 . 1 1 106 106 LYS C C 106 174.820 174.820 175.883 -1.063 17613 2063 1 3 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.915 -2.047 17613 2064 1 3 . 1 1 106 106 LYS CB C 106 35.299 35.299 33.857 1.442 17613 2065 1 3 . 1 1 106 106 LYS H H 106 8.807 8.807 8.524 0.283 17613 2066 1 3 . 1 1 107 107 VAL N N 107 118.792 118.792 123.411 -4.619 17613 2067 1 3 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.554 0.061 17613 2068 1 3 . 1 1 107 107 VAL C C 107 173.332 173.332 174.302 -0.970 17613 2069 1 3 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.884 -0.662 17613 2070 1 3 . 1 1 107 107 VAL CB C 107 35.234 35.234 34.562 0.672 17613 2071 1 3 . 1 1 107 107 VAL H H 107 8.555 8.555 7.984 0.571 17613 2072 1 3 . 1 1 108 108 THR N N 108 114.072 114.072 116.738 -2.666 17613 2073 1 3 . 1 1 108 108 THR HA H 108 4.781 4.781 4.897 -0.116 17613 2074 1 3 . 1 1 108 108 THR C C 108 174.625 174.625 174.020 0.605 17613 2075 1 3 . 1 1 108 108 THR CA C 108 62.221 62.221 61.102 1.119 17613 2076 1 3 . 1 1 108 108 THR CB C 108 69.975 69.975 70.041 -0.066 17613 2077 1 3 . 1 1 108 108 THR H H 108 8.604 8.604 8.253 0.351 17613 2078 1 3 . 1 1 109 109 ASP N N 109 122.574 122.574 124.539 -1.965 17613 2079 1 3 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.689 0.049 17613 2080 1 3 . 1 1 109 109 ASP C C 109 175.796 175.796 176.774 -0.978 17613 2081 1 3 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.537 -0.688 17613 2082 1 3 . 1 1 109 109 ASP CB C 109 43.688 43.688 41.770 1.917 17613 2083 1 3 . 1 1 109 109 ASP H H 109 8.036 8.036 8.048 -0.012 17613 2084 1 3 . 1 1 110 110 ASP N N 110 122.852 122.852 124.842 -1.990 17613 2085 1 3 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.267 -0.172 17613 2086 1 3 . 1 1 110 110 ASP C C 110 177.527 177.527 177.961 -0.434 17613 2087 1 3 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.946 -0.557 17613 2088 1 3 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.953 -0.652 17613 2089 1 3 . 1 1 110 110 ASP H H 110 8.696 8.696 8.825 -0.129 17613 2090 1 3 . 1 1 111 111 GLU N N 111 119.144 119.144 119.069 0.075 17613 2091 1 3 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.059 -0.071 17613 2092 1 3 . 1 1 111 111 GLU C C 111 179.942 179.942 178.657 1.285 17613 2093 1 3 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.200 0.157 17613 2094 1 3 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.086 -0.590 17613 2095 1 3 . 1 1 111 111 GLU H H 111 8.213 8.213 8.441 -0.228 17613 2096 1 3 . 1 1 112 112 GLU N N 112 121.400 121.400 120.037 1.363 17613 2097 1 3 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.111 -0.114 17613 2098 1 3 . 1 1 112 112 GLU C C 112 178.430 178.430 178.175 0.255 17613 2099 1 3 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.339 0.410 17613 2100 1 3 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.999 0.195 17613 2101 1 3 . 1 1 112 112 GLU H H 112 8.234 8.234 8.433 -0.199 17613 2102 1 3 . 1 1 113 113 ALA N N 113 120.316 120.316 122.391 -2.075 17613 2103 1 3 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.043 -0.243 17613 2104 1 3 . 1 1 113 113 ALA C C 113 178.430 178.430 179.753 -1.323 17613 2105 1 3 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.135 0.247 17613 2106 1 3 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.087 0.515 17613 2107 1 3 . 1 1 113 113 ALA H H 113 8.118 8.118 7.785 0.333 17613 2108 1 3 . 1 1 114 114 LEU N N 114 116.901 116.901 118.356 -1.455 17613 2109 1 3 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.807 -0.094 17613 2110 1 3 . 1 1 114 114 LEU C C 114 178.431 178.431 179.007 -0.576 17613 2111 1 3 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.651 0.024 17613 2112 1 3 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.307 -0.371 17613 2113 1 3 . 1 1 114 114 LEU H H 114 7.743 7.743 7.550 0.193 17613 2114 1 3 . 1 1 115 115 LYS N N 115 119.066 119.066 119.318 -0.252 17613 2115 1 3 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.892 -0.092 17613 2116 1 3 . 1 1 115 115 LYS C C 115 179.404 179.404 178.893 0.511 17613 2117 1 3 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.556 0.327 17613 2118 1 3 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.291 -0.113 17613 2119 1 3 . 1 1 115 115 LYS H H 115 7.617 7.617 7.262 0.355 17613 2120 1 3 . 1 1 116 116 ILE N N 116 120.613 120.613 119.223 1.390 17613 2121 1 3 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.906 -0.446 17613 2122 1 3 . 1 1 116 116 ILE C C 116 177.016 177.016 178.247 -1.231 17613 2123 1 3 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.706 1.416 17613 2124 1 3 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.550 -0.227 17613 2125 1 3 . 1 1 116 116 ILE H H 116 8.004 8.004 7.830 0.174 17613 2126 1 3 . 1 1 117 117 VAL N N 117 120.234 120.234 120.288 -0.054 17613 2127 1 3 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.737 -0.477 17613 2128 1 3 . 1 1 117 117 VAL C C 117 177.746 177.746 178.329 -0.583 17613 2129 1 3 . 1 1 117 117 VAL CA C 117 67.505 67.505 66.838 0.667 17613 2130 1 3 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.515 0.238 17613 2131 1 3 . 1 1 117 117 VAL H H 117 8.121 8.121 8.042 0.079 17613 2132 1 3 . 1 1 118 118 ARG N N 118 118.415 118.415 118.646 -0.231 17613 2133 1 3 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.928 -0.035 17613 2134 1 3 . 1 1 118 118 ARG C C 118 178.966 178.966 178.887 0.079 17613 2135 1 3 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.472 0.697 17613 2136 1 3 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.715 -0.013 17613 2137 1 3 . 1 1 118 118 ARG H H 118 8.026 8.026 7.595 0.431 17613 2138 1 3 . 1 1 119 119 GLU N N 119 122.419 122.419 120.670 1.749 17613 2139 1 3 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.007 0.020 17613 2140 1 3 . 1 1 119 119 GLU C C 119 179.429 179.429 178.608 0.821 17613 2141 1 3 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.004 0.526 17613 2142 1 3 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.410 -0.449 17613 2143 1 3 . 1 1 119 119 GLU H H 119 7.918 7.918 7.449 0.469 17613 2144 1 3 . 1 1 120 120 PHE N N 120 119.597 119.597 119.312 0.285 17613 2145 1 3 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.970 0.052 17613 2146 1 3 . 1 1 120 120 PHE C C 120 177.698 177.698 177.953 -0.255 17613 2147 1 3 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.592 -3.724 17613 2148 1 3 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.329 -1.576 17613 2149 1 3 . 1 1 120 120 PHE H H 120 8.826 8.826 7.816 1.010 17613 2150 1 3 . 1 1 121 121 MET N N 121 116.596 116.596 117.415 -0.819 17613 2151 1 3 . 1 1 121 121 MET HA H 121 3.931 3.931 3.868 0.063 17613 2152 1 3 . 1 1 121 121 MET C C 121 179.577 179.577 178.807 0.770 17613 2153 1 3 . 1 1 121 121 MET CA C 121 59.785 59.785 58.822 0.963 17613 2154 1 3 . 1 1 121 121 MET CB C 121 33.643 33.643 31.938 1.705 17613 2155 1 3 . 1 1 121 121 MET H H 121 8.317 8.317 8.107 0.210 17613 2156 1 3 . 1 1 122 122 GLN N N 122 120.565 120.565 119.431 1.134 17613 2157 1 3 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.899 0.236 17613 2158 1 3 . 1 1 122 122 GLN C C 122 178.893 178.893 178.052 0.841 17613 2159 1 3 . 1 1 122 122 GLN CA C 122 58.745 58.745 58.863 -0.118 17613 2160 1 3 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.638 -0.618 17613 2161 1 3 . 1 1 122 122 GLN H H 122 8.054 8.054 7.662 0.392 17613 2162 1 3 . 1 1 123 123 LYS N N 123 121.605 121.605 118.742 2.863 17613 2163 1 3 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.053 -0.028 17613 2164 1 3 . 1 1 123 123 LYS C C 123 179.307 179.307 178.672 0.635 17613 2165 1 3 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.434 0.810 17613 2166 1 3 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.399 -0.093 17613 2167 1 3 . 1 1 123 123 LYS H H 123 8.400 8.400 7.931 0.469 17613 2168 1 3 . 1 1 124 124 ALA N N 124 121.873 121.873 121.697 0.176 17613 2169 1 3 . 1 1 124 124 ALA HA H 124 4.144 4.144 3.941 0.203 17613 2170 1 3 . 1 1 124 124 ALA C C 124 179.112 179.112 179.381 -0.269 17613 2171 1 3 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.887 -0.235 17613 2172 1 3 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.113 0.821 17613 2173 1 3 . 1 1 124 124 ALA H H 124 8.601 8.601 7.707 0.894 17613 2174 1 3 . 1 1 125 125 GLY N N 125 104.755 104.755 105.363 -0.608 17613 2175 1 3 . 1 1 125 125 GLY C C 125 175.553 175.553 176.358 -0.805 17613 2176 1 3 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.111 -0.820 17613 2177 1 3 . 1 1 125 125 GLY H H 125 7.949 7.949 7.993 -0.044 17613 2178 1 3 . 1 1 126 126 SER N N 126 116.080 116.080 117.719 -1.639 17613 2179 1 3 . 1 1 126 126 SER HA H 126 4.447 4.447 4.227 0.220 17613 2180 1 3 . 1 1 126 126 SER C C 126 175.504 175.504 176.502 -0.998 17613 2181 1 3 . 1 1 126 126 SER CA C 126 59.965 59.965 61.824 -1.859 17613 2182 1 3 . 1 1 126 126 SER CB C 126 63.460 63.460 63.234 0.226 17613 2183 1 3 . 1 1 126 126 SER H H 126 7.861 7.861 7.729 0.132 17613 2184 1 3 . 1 1 127 127 LEU N N 127 122.372 122.372 121.486 0.886 17613 2185 1 3 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.425 -0.143 17613 2186 1 3 . 1 1 127 127 LEU C C 127 177.990 177.990 178.317 -0.327 17613 2187 1 3 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.733 -0.515 17613 2188 1 3 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.090 -0.017 17613 2189 1 3 . 1 1 127 127 LEU H H 127 7.882 7.882 7.682 0.200 17613 2190 1 3 . 1 1 128 128 GLU N N 128 119.775 119.775 117.738 2.037 17613 2191 1 3 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.120 -0.212 17613 2192 1 3 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.536 -0.925 17613 2193 1 3 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.679 0.151 17613 2194 1 3 . 1 1 128 128 GLU H H 128 8.084 8.084 8.078 0.006 17613 2195 1 3 . 1 1 131 131 HIS N N 131 125.272 125.272 116.464 8.808 17613 2196 1 3 . 1 1 131 131 HIS H H 131 8.059 8.059 8.755 -0.696 17613 2197 1 4 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.824 0.002 17613 2198 1 4 . 1 1 3 3 ILE C C 3 173.405 173.405 174.381 -0.976 17613 2199 1 4 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.187 -0.631 17613 2200 1 4 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.960 0.548 17613 2201 1 4 . 1 1 3 3 ILE H H 3 8.444 8.444 8.373 0.071 17613 2202 1 4 . 1 1 4 4 LEU N N 4 127.785 127.785 126.441 1.344 17613 2203 1 4 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.149 0.310 17613 2204 1 4 . 1 1 4 4 LEU C C 4 174.832 174.832 175.946 -1.114 17613 2205 1 4 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.211 0.130 17613 2206 1 4 . 1 1 4 4 LEU CB C 4 45.313 45.313 45.239 0.074 17613 2207 1 4 . 1 1 4 4 LEU H H 4 9.081 9.081 8.031 1.050 17613 2208 1 4 . 1 1 5 5 ILE N N 5 123.010 123.010 122.862 0.148 17613 2209 1 4 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.676 0.157 17613 2210 1 4 . 1 1 5 5 ILE C C 5 173.357 173.357 174.767 -1.410 17613 2211 1 4 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.078 1.466 17613 2212 1 4 . 1 1 5 5 ILE CB C 5 39.532 39.532 37.260 2.272 17613 2213 1 4 . 1 1 5 5 ILE H H 5 8.765 8.765 8.382 0.383 17613 2214 1 4 . 1 1 6 6 LEU N N 6 129.320 129.320 130.062 -0.742 17613 2215 1 4 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.166 0.180 17613 2216 1 4 . 1 1 6 6 LEU C C 6 174.795 174.795 175.058 -0.263 17613 2217 1 4 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.230 -0.230 17613 2218 1 4 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.659 0.869 17613 2219 1 4 . 1 1 6 6 LEU H H 6 9.235 9.235 8.235 1.000 17613 2220 1 4 . 1 1 7 7 ILE N N 7 120.746 120.746 126.042 -5.296 17613 2221 1 4 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.736 0.445 17613 2222 1 4 . 1 1 7 7 ILE C C 7 173.819 173.819 173.955 -0.136 17613 2223 1 4 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.362 -2.147 17613 2224 1 4 . 1 1 7 7 ILE CB C 7 40.154 40.154 40.906 -0.752 17613 2225 1 4 . 1 1 7 7 ILE H H 7 8.931 8.931 8.861 0.070 17613 2226 1 4 . 1 1 8 8 ASN N N 8 125.539 125.539 126.175 -0.636 17613 2227 1 4 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.346 0.556 17613 2228 1 4 . 1 1 8 8 ASN C C 8 176.478 176.478 173.511 2.967 17613 2229 1 4 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.265 -1.161 17613 2230 1 4 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.820 0.762 17613 2231 1 4 . 1 1 8 8 ASN H H 8 8.634 8.634 8.948 -0.314 17613 2232 1 4 . 1 1 9 9 THR N N 9 118.493 118.493 120.763 -2.270 17613 2233 1 4 . 1 1 9 9 THR HA H 9 4.739 4.739 5.166 -0.427 17613 2234 1 4 . 1 1 9 9 THR C C 9 170.114 170.114 175.119 -5.005 17613 2235 1 4 . 1 1 9 9 THR CA C 9 60.689 60.689 59.577 1.112 17613 2236 1 4 . 1 1 9 9 THR CB C 9 67.766 67.766 71.639 -3.873 17613 2237 1 4 . 1 1 9 9 THR H H 9 8.044 8.044 8.215 -0.171 17613 2238 1 4 . 1 1 10 10 ASN N N 10 123.266 123.266 123.924 -0.658 17613 2239 1 4 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.573 0.394 17613 2240 1 4 . 1 1 10 10 ASN C C 10 174.601 174.601 175.287 -0.686 17613 2241 1 4 . 1 1 10 10 ASN CA C 10 51.844 51.844 55.098 -3.254 17613 2242 1 4 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.076 0.240 17613 2243 1 4 . 1 1 10 10 ASN H H 10 8.440 8.440 8.567 -0.127 17613 2244 1 4 . 1 1 11 11 ASN N N 11 120.920 120.920 118.257 2.663 17613 2245 1 4 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.918 -0.225 17613 2246 1 4 . 1 1 11 11 ASN C C 11 174.333 174.333 174.974 -0.641 17613 2247 1 4 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.534 -0.098 17613 2248 1 4 . 1 1 11 11 ASN CB C 11 38.349 38.349 40.368 -2.019 17613 2249 1 4 . 1 1 11 11 ASN H H 11 8.366 8.366 7.602 0.764 17613 2250 1 4 . 1 1 12 12 ASP N N 12 126.315 126.315 125.555 0.760 17613 2251 1 4 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.396 -0.123 17613 2252 1 4 . 1 1 12 12 ASP C C 12 178.089 178.089 177.600 0.489 17613 2253 1 4 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.815 -0.207 17613 2254 1 4 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.964 0.197 17613 2255 1 4 . 1 1 12 12 ASP H H 12 8.586 8.586 8.931 -0.345 17613 2256 1 4 . 1 1 13 13 GLU N N 13 119.325 119.325 120.294 -0.969 17613 2257 1 4 . 1 1 13 13 GLU HA H 13 4.026 4.026 3.992 0.034 17613 2258 1 4 . 1 1 13 13 GLU C C 13 178.893 178.893 178.859 0.034 17613 2259 1 4 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.559 -0.553 17613 2260 1 4 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.675 -0.966 17613 2261 1 4 . 1 1 13 13 GLU H H 13 8.289 8.289 8.179 0.110 17613 2262 1 4 . 1 1 14 14 LEU N N 14 121.683 121.683 118.422 3.261 17613 2263 1 4 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.112 -0.127 17613 2264 1 4 . 1 1 14 14 LEU C C 14 178.309 178.309 179.226 -0.917 17613 2265 1 4 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.263 -0.002 17613 2266 1 4 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.920 -0.816 17613 2267 1 4 . 1 1 14 14 LEU H H 14 7.577 7.577 7.635 -0.058 17613 2268 1 4 . 1 1 15 15 ILE N N 15 119.483 119.483 119.862 -0.379 17613 2269 1 4 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.513 -0.294 17613 2270 1 4 . 1 1 15 15 ILE C C 15 177.138 177.138 177.804 -0.666 17613 2271 1 4 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.732 0.858 17613 2272 1 4 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.547 -0.123 17613 2273 1 4 . 1 1 15 15 ILE H H 15 8.238 8.238 7.523 0.715 17613 2274 1 4 . 1 1 16 16 LYS N N 16 117.596 117.596 118.158 -0.562 17613 2275 1 4 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.984 -0.141 17613 2276 1 4 . 1 1 16 16 LYS C C 16 179.577 179.577 179.021 0.556 17613 2277 1 4 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.388 0.781 17613 2278 1 4 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.964 0.200 17613 2279 1 4 . 1 1 16 16 LYS H H 16 7.604 7.604 7.809 -0.205 17613 2280 1 4 . 1 1 17 17 LYS N N 17 118.832 118.832 120.004 -1.172 17613 2281 1 4 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.095 -0.103 17613 2282 1 4 . 1 1 17 17 LYS C C 17 179.380 179.380 178.973 0.407 17613 2283 1 4 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.428 0.411 17613 2284 1 4 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.545 0.519 17613 2285 1 4 . 1 1 17 17 LYS H H 17 7.583 7.583 7.617 -0.033 17613 2286 1 4 . 1 1 18 18 ILE N N 18 120.961 120.961 120.488 0.473 17613 2287 1 4 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.641 -0.269 17613 2288 1 4 . 1 1 18 18 ILE C C 18 176.967 176.967 177.778 -0.811 17613 2289 1 4 . 1 1 18 18 ILE CA C 18 65.474 65.474 64.957 0.517 17613 2290 1 4 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.667 -0.111 17613 2291 1 4 . 1 1 18 18 ILE H H 18 8.785 8.785 7.961 0.824 17613 2292 1 4 . 1 1 19 19 LYS N N 19 118.324 118.324 119.214 -0.890 17613 2293 1 4 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.965 -0.285 17613 2294 1 4 . 1 1 19 19 LYS C C 19 177.746 177.746 179.115 -1.369 17613 2295 1 4 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.821 1.032 17613 2296 1 4 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.073 0.253 17613 2297 1 4 . 1 1 19 19 LYS H H 19 8.532 8.532 8.146 0.386 17613 2298 1 4 . 1 1 20 20 LYS N N 20 116.284 116.284 119.209 -2.925 17613 2299 1 4 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.162 -0.075 17613 2300 1 4 . 1 1 20 20 LYS C C 20 178.406 178.406 179.171 -0.765 17613 2301 1 4 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.530 0.009 17613 2302 1 4 . 1 1 20 20 LYS CB C 20 31.981 31.981 32.006 -0.025 17613 2303 1 4 . 1 1 20 20 LYS H H 20 7.303 7.303 7.479 -0.176 17613 2304 1 4 . 1 1 21 21 GLU N N 21 118.488 118.488 118.225 0.263 17613 2305 1 4 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.054 -0.091 17613 2306 1 4 . 1 1 21 21 GLU C C 21 179.088 179.088 178.563 0.525 17613 2307 1 4 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.214 -0.320 17613 2308 1 4 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.527 -0.093 17613 2309 1 4 . 1 1 21 21 GLU H H 21 7.665 7.665 8.027 -0.362 17613 2310 1 4 . 1 1 22 22 VAL N N 22 109.032 109.032 111.414 -2.382 17613 2311 1 4 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.501 -0.369 17613 2312 1 4 . 1 1 22 22 VAL CA C 22 62.799 62.799 62.949 -0.150 17613 2313 1 4 . 1 1 22 22 VAL CB C 22 29.829 29.829 33.117 -3.288 17613 2314 1 4 . 1 1 22 22 VAL H H 22 8.037 8.037 7.669 0.368 17613 2315 1 4 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.696 0.021 17613 2316 1 4 . 1 1 24 24 ASN CA C 24 58.808 58.808 54.597 4.211 17613 2317 1 4 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.666 -0.495 17613 2318 1 4 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.625 0.021 17613 2319 1 4 . 1 1 25 25 GLN C C 25 175.692 175.692 175.932 -0.240 17613 2320 1 4 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.155 -0.137 17613 2321 1 4 . 1 1 26 26 GLY N N 26 106.368 106.368 107.529 -1.161 17613 2322 1 4 . 1 1 26 26 GLY C C 26 174.382 174.382 174.329 0.053 17613 2323 1 4 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.949 0.008 17613 2324 1 4 . 1 1 26 26 GLY H H 26 8.020 8.020 7.682 0.338 17613 2325 1 4 . 1 1 27 27 TYR N N 27 119.082 119.082 119.904 -0.822 17613 2326 1 4 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.658 -0.225 17613 2327 1 4 . 1 1 27 27 TYR C C 27 174.528 174.528 175.719 -1.191 17613 2328 1 4 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.637 0.417 17613 2329 1 4 . 1 1 27 27 TYR CB C 27 39.005 39.005 38.744 0.261 17613 2330 1 4 . 1 1 27 27 TYR H H 27 7.845 7.845 7.763 0.082 17613 2331 1 4 . 1 1 28 28 GLN N N 28 120.362 120.362 125.322 -4.960 17613 2332 1 4 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.200 0.299 17613 2333 1 4 . 1 1 28 28 GLN C C 28 174.625 174.625 175.620 -0.995 17613 2334 1 4 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.917 -1.537 17613 2335 1 4 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.378 2.077 17613 2336 1 4 . 1 1 28 28 GLN H H 28 8.338 8.338 8.622 -0.284 17613 2337 1 4 . 1 1 29 29 VAL N N 29 123.482 123.482 125.934 -2.452 17613 2338 1 4 . 1 1 29 29 VAL HA H 29 5.043 5.043 3.996 1.047 17613 2339 1 4 . 1 1 29 29 VAL C C 29 175.820 175.820 176.079 -0.259 17613 2340 1 4 . 1 1 29 29 VAL CA C 29 61.488 61.488 63.256 -1.768 17613 2341 1 4 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.649 0.824 17613 2342 1 4 . 1 1 29 29 VAL H H 29 8.776 8.776 8.405 0.371 17613 2343 1 4 . 1 1 30 30 ARG N N 30 127.787 127.787 128.884 -1.097 17613 2344 1 4 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.754 -0.014 17613 2345 1 4 . 1 1 30 30 ARG C C 30 173.332 173.332 174.154 -0.822 17613 2346 1 4 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.704 0.084 17613 2347 1 4 . 1 1 30 30 ARG CB C 30 32.391 32.391 33.639 -1.248 17613 2348 1 4 . 1 1 30 30 ARG H H 30 9.135 9.135 8.932 0.203 17613 2349 1 4 . 1 1 31 31 ASP N N 31 121.895 121.895 120.182 1.713 17613 2350 1 4 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.254 -0.044 17613 2351 1 4 . 1 1 31 31 ASP C C 31 175.282 175.282 174.378 0.904 17613 2352 1 4 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.893 0.477 17613 2353 1 4 . 1 1 31 31 ASP CB C 31 42.722 42.722 43.911 -1.189 17613 2354 1 4 . 1 1 31 31 ASP H H 31 8.377 8.377 8.234 0.143 17613 2355 1 4 . 1 1 32 32 VAL N N 32 120.426 120.426 121.512 -1.086 17613 2356 1 4 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.236 0.012 17613 2357 1 4 . 1 1 32 32 VAL C C 32 174.114 174.114 175.423 -1.309 17613 2358 1 4 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.649 -0.092 17613 2359 1 4 . 1 1 32 32 VAL CB C 32 33.884 33.884 32.792 1.092 17613 2360 1 4 . 1 1 32 32 VAL H H 32 8.441 8.441 8.128 0.313 17613 2361 1 4 . 1 1 33 33 ASN N N 33 122.700 122.700 125.038 -2.338 17613 2362 1 4 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.654 0.323 17613 2363 1 4 . 1 1 33 33 ASN C C 33 174.235 174.235 174.839 -0.604 17613 2364 1 4 . 1 1 33 33 ASN CA C 33 53.396 53.396 54.859 -1.463 17613 2365 1 4 . 1 1 33 33 ASN CB C 33 40.869 40.869 38.919 1.950 17613 2366 1 4 . 1 1 33 33 ASN H H 33 9.550 9.550 8.913 0.637 17613 2367 1 4 . 1 1 34 34 ASP N N 34 114.885 114.885 115.456 -0.571 17613 2368 1 4 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.792 -0.089 17613 2369 1 4 . 1 1 34 34 ASP C C 34 175.626 175.626 176.032 -0.406 17613 2370 1 4 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.486 0.997 17613 2371 1 4 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.002 -0.606 17613 2372 1 4 . 1 1 34 34 ASP H H 34 7.616 7.616 7.749 -0.133 17613 2373 1 4 . 1 1 35 35 SER N N 35 114.381 114.381 116.049 -1.668 17613 2374 1 4 . 1 1 35 35 SER HA H 35 4.046 4.046 4.163 -0.117 17613 2375 1 4 . 1 1 35 35 SER C C 35 175.991 175.991 176.090 -0.099 17613 2376 1 4 . 1 1 35 35 SER CA C 35 61.446 61.446 61.131 0.315 17613 2377 1 4 . 1 1 35 35 SER CB C 35 62.764 62.764 63.207 -0.443 17613 2378 1 4 . 1 1 35 35 SER H H 35 8.869 8.869 8.668 0.201 17613 2379 1 4 . 1 1 36 36 ASP N N 36 124.695 124.695 120.018 4.677 17613 2380 1 4 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.426 0.093 17613 2381 1 4 . 1 1 36 36 ASP C C 36 179.136 179.136 178.329 0.807 17613 2382 1 4 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.844 -0.176 17613 2383 1 4 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.718 -0.433 17613 2384 1 4 . 1 1 36 36 ASP H H 36 8.388 8.388 8.229 0.159 17613 2385 1 4 . 1 1 37 37 GLU N N 37 122.449 122.449 119.449 3.000 17613 2386 1 4 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.066 -0.007 17613 2387 1 4 . 1 1 37 37 GLU C C 37 178.698 178.698 178.979 -0.281 17613 2388 1 4 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.927 0.282 17613 2389 1 4 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.049 0.672 17613 2390 1 4 . 1 1 37 37 GLU H H 37 9.009 9.009 8.138 0.871 17613 2391 1 4 . 1 1 38 38 LEU N N 38 119.580 119.580 122.135 -2.555 17613 2392 1 4 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.998 -0.087 17613 2393 1 4 . 1 1 38 38 LEU C C 38 177.649 177.649 177.998 -0.349 17613 2394 1 4 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.742 0.391 17613 2395 1 4 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.908 -0.839 17613 2396 1 4 . 1 1 38 38 LEU H H 38 8.203 8.203 8.024 0.179 17613 2397 1 4 . 1 1 39 39 LYS N N 39 118.404 118.404 118.001 0.403 17613 2398 1 4 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.954 -0.113 17613 2399 1 4 . 1 1 39 39 LYS C C 39 179.577 179.577 179.567 0.010 17613 2400 1 4 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.522 0.344 17613 2401 1 4 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.195 -0.147 17613 2402 1 4 . 1 1 39 39 LYS H H 39 7.829 7.829 7.753 0.076 17613 2403 1 4 . 1 1 40 40 LYS N N 40 119.271 119.271 119.856 -0.585 17613 2404 1 4 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.113 -0.091 17613 2405 1 4 . 1 1 40 40 LYS C C 40 179.577 179.577 179.235 0.342 17613 2406 1 4 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.972 0.618 17613 2407 1 4 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.158 0.242 17613 2408 1 4 . 1 1 40 40 LYS H H 40 7.779 7.779 8.040 -0.261 17613 2409 1 4 . 1 1 41 41 GLU N N 41 119.647 119.647 118.913 0.734 17613 2410 1 4 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.198 0.065 17613 2411 1 4 . 1 1 41 41 GLU C C 41 179.504 179.504 178.925 0.579 17613 2412 1 4 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.167 -0.093 17613 2413 1 4 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.163 -0.917 17613 2414 1 4 . 1 1 41 41 GLU H H 41 8.721 8.721 7.804 0.917 17613 2415 1 4 . 1 1 42 42 MET N N 42 118.114 118.114 117.860 0.254 17613 2416 1 4 . 1 1 42 42 MET HA H 42 4.383 4.383 4.306 0.077 17613 2417 1 4 . 1 1 42 42 MET C C 42 179.185 179.185 178.467 0.718 17613 2418 1 4 . 1 1 42 42 MET CA C 42 57.054 57.054 56.823 0.231 17613 2419 1 4 . 1 1 42 42 MET CB C 42 31.254 31.254 31.507 -0.253 17613 2420 1 4 . 1 1 42 42 MET H H 42 8.779 8.779 8.255 0.524 17613 2421 1 4 . 1 1 43 43 LYS N N 43 120.740 120.740 120.177 0.563 17613 2422 1 4 . 1 1 43 43 LYS HA H 43 4.088 4.088 3.999 0.089 17613 2423 1 4 . 1 1 43 43 LYS C C 43 178.187 178.187 178.882 -0.695 17613 2424 1 4 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.521 -0.131 17613 2425 1 4 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.028 -0.066 17613 2426 1 4 . 1 1 43 43 LYS H H 43 7.499 7.499 7.908 -0.409 17613 2427 1 4 . 1 1 44 44 LYS N N 44 118.269 118.269 117.841 0.428 17613 2428 1 4 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.346 -0.285 17613 2429 1 4 . 1 1 44 44 LYS C C 44 179.601 179.601 178.433 1.168 17613 2430 1 4 . 1 1 44 44 LYS CA C 44 59.500 59.500 57.933 1.567 17613 2431 1 4 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.917 0.153 17613 2432 1 4 . 1 1 44 44 LYS H H 44 7.445 7.445 7.337 0.108 17613 2433 1 4 . 1 1 45 45 LEU N N 45 117.785 117.785 118.143 -0.358 17613 2434 1 4 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.094 0.054 17613 2435 1 4 . 1 1 45 45 LEU C C 45 178.357 178.357 178.834 -0.477 17613 2436 1 4 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.317 -0.130 17613 2437 1 4 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.948 -0.175 17613 2438 1 4 . 1 1 45 45 LEU H H 45 8.161 8.161 7.769 0.392 17613 2439 1 4 . 1 1 46 46 ALA N N 46 118.538 118.538 120.105 -1.567 17613 2440 1 4 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.220 0.032 17613 2441 1 4 . 1 1 46 46 ALA C C 46 178.893 178.893 179.114 -0.221 17613 2442 1 4 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.045 -0.373 17613 2443 1 4 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.637 0.245 17613 2444 1 4 . 1 1 46 46 ALA H H 46 7.637 7.637 7.525 0.112 17613 2445 1 4 . 1 1 47 47 GLU N N 47 115.492 115.492 116.536 -1.044 17613 2446 1 4 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.241 0.009 17613 2447 1 4 . 1 1 47 47 GLU C C 47 176.478 176.478 176.189 0.289 17613 2448 1 4 . 1 1 47 47 GLU CA C 47 56.931 56.931 56.917 0.014 17613 2449 1 4 . 1 1 47 47 GLU CB C 47 30.417 30.417 29.936 0.481 17613 2450 1 4 . 1 1 47 47 GLU H H 47 7.713 7.713 7.810 -0.097 17613 2451 1 4 . 1 1 48 48 GLU N N 48 120.573 120.573 119.500 1.073 17613 2452 1 4 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.530 -0.157 17613 2453 1 4 . 1 1 48 48 GLU C C 48 173.624 173.624 175.518 -1.894 17613 2454 1 4 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.812 0.209 17613 2455 1 4 . 1 1 48 48 GLU CB C 48 29.910 29.910 31.740 -1.830 17613 2456 1 4 . 1 1 48 48 GLU H H 48 7.748 7.748 7.573 0.175 17613 2457 1 4 . 1 1 49 49 LYS N N 49 124.420 124.420 123.436 0.984 17613 2458 1 4 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.475 -0.157 17613 2459 1 4 . 1 1 49 49 LYS C C 49 176.843 176.843 177.110 -0.267 17613 2460 1 4 . 1 1 49 49 LYS CA C 49 56.517 56.517 55.851 0.666 17613 2461 1 4 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.572 -0.110 17613 2462 1 4 . 1 1 49 49 LYS H H 49 8.607 8.607 8.511 0.096 17613 2463 1 4 . 1 1 50 50 ASN N N 50 117.993 117.993 120.057 -2.064 17613 2464 1 4 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.645 -0.021 17613 2465 1 4 . 1 1 50 50 ASN C C 50 176.454 176.454 175.706 0.748 17613 2466 1 4 . 1 1 50 50 ASN CA C 50 53.555 53.555 52.556 0.999 17613 2467 1 4 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.499 -0.463 17613 2468 1 4 . 1 1 50 50 ASN H H 50 8.723 8.723 7.983 0.740 17613 2469 1 4 . 1 1 51 51 PHE N N 51 120.700 120.700 119.021 1.679 17613 2470 1 4 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.540 0.218 17613 2471 1 4 . 1 1 51 51 PHE CA C 51 57.935 57.935 56.158 1.777 17613 2472 1 4 . 1 1 51 51 PHE CB C 51 38.975 38.975 37.060 1.915 17613 2473 1 4 . 1 1 51 51 PHE H H 51 8.341 8.341 8.416 -0.075 17613 2474 1 4 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.226 0.032 17613 2475 1 4 . 1 1 52 52 GLU C C 52 173.600 173.600 176.494 -2.894 17613 2476 1 4 . 1 1 52 52 GLU CA C 52 56.254 56.254 55.322 0.932 17613 2477 1 4 . 1 1 52 52 GLU CB C 52 33.459 33.459 29.363 4.096 17613 2478 1 4 . 1 1 53 53 LYS N N 53 119.964 119.964 127.053 -7.089 17613 2479 1 4 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.497 0.192 17613 2480 1 4 . 1 1 53 53 LYS C C 53 174.430 174.430 175.338 -0.908 17613 2481 1 4 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.882 -0.526 17613 2482 1 4 . 1 1 53 53 LYS CB C 53 31.445 31.445 32.022 -0.577 17613 2483 1 4 . 1 1 53 53 LYS H H 53 7.962 7.962 8.556 -0.594 17613 2484 1 4 . 1 1 54 54 ILE N N 54 124.730 124.730 123.923 0.807 17613 2485 1 4 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.593 0.253 17613 2486 1 4 . 1 1 54 54 ILE C C 54 173.089 173.089 175.233 -2.144 17613 2487 1 4 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.474 0.790 17613 2488 1 4 . 1 1 54 54 ILE CB C 54 41.953 41.953 37.699 4.254 17613 2489 1 4 . 1 1 54 54 ILE H H 54 8.804 8.804 8.036 0.768 17613 2490 1 4 . 1 1 55 55 LEU N N 55 130.086 130.086 130.167 -0.081 17613 2491 1 4 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.797 0.844 17613 2492 1 4 . 1 1 55 55 LEU C C 55 174.430 174.430 175.028 -0.598 17613 2493 1 4 . 1 1 55 55 LEU CA C 55 53.502 53.502 54.326 -0.824 17613 2494 1 4 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.137 1.065 17613 2495 1 4 . 1 1 55 55 LEU H H 55 9.103 9.103 8.150 0.953 17613 2496 1 4 . 1 1 56 56 ILE N N 56 125.983 125.983 126.382 -0.399 17613 2497 1 4 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.997 0.060 17613 2498 1 4 . 1 1 56 56 ILE C C 56 174.089 174.089 175.205 -1.116 17613 2499 1 4 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.527 0.583 17613 2500 1 4 . 1 1 56 56 ILE CB C 56 39.823 39.823 39.443 0.380 17613 2501 1 4 . 1 1 56 56 ILE H H 56 9.182 9.182 8.444 0.738 17613 2502 1 4 . 1 1 57 57 ILE N N 57 127.241 127.241 127.580 -0.339 17613 2503 1 4 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.897 0.015 17613 2504 1 4 . 1 1 57 57 ILE C C 57 174.869 174.869 174.868 0.001 17613 2505 1 4 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.076 -0.821 17613 2506 1 4 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.572 -1.621 17613 2507 1 4 . 1 1 57 57 ILE H H 57 8.541 8.541 8.633 -0.092 17613 2508 1 4 . 1 1 58 58 SER N N 58 119.270 119.270 121.688 -2.418 17613 2509 1 4 . 1 1 58 58 SER HA H 58 5.007 5.007 4.921 0.086 17613 2510 1 4 . 1 1 58 58 SER C C 58 174.211 174.211 174.223 -0.012 17613 2511 1 4 . 1 1 58 58 SER CA C 58 56.727 56.727 56.607 0.120 17613 2512 1 4 . 1 1 58 58 SER CB C 58 66.615 66.615 64.720 1.895 17613 2513 1 4 . 1 1 58 58 SER H H 58 8.810 8.810 8.366 0.444 17613 2514 1 4 . 1 1 59 59 ASN N N 59 122.382 122.382 125.780 -3.398 17613 2515 1 4 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.778 -0.067 17613 2516 1 4 . 1 1 59 59 ASN C C 59 174.795 174.795 174.620 0.175 17613 2517 1 4 . 1 1 59 59 ASN CA C 59 52.507 52.507 54.597 -2.090 17613 2518 1 4 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.466 -0.504 17613 2519 1 4 . 1 1 59 59 ASN H H 59 8.794 8.794 8.820 -0.026 17613 2520 1 4 . 1 1 60 60 ASP N N 60 119.744 119.744 118.903 0.841 17613 2521 1 4 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.741 0.122 17613 2522 1 4 . 1 1 60 60 ASP C C 60 176.015 176.015 176.987 -0.972 17613 2523 1 4 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.901 0.196 17613 2524 1 4 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.185 -0.236 17613 2525 1 4 . 1 1 60 60 ASP H H 60 7.857 7.857 7.471 0.386 17613 2526 1 4 . 1 1 61 61 LYS N N 61 125.818 125.818 124.306 1.512 17613 2527 1 4 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.051 -0.329 17613 2528 1 4 . 1 1 61 61 LYS C C 61 177.673 177.673 178.540 -0.867 17613 2529 1 4 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.193 0.439 17613 2530 1 4 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.063 -0.545 17613 2531 1 4 . 1 1 61 61 LYS H H 61 8.904 8.904 8.650 0.254 17613 2532 1 4 . 1 1 62 62 GLN N N 62 118.918 118.918 119.943 -1.025 17613 2533 1 4 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.232 -0.127 17613 2534 1 4 . 1 1 62 62 GLN C C 62 178.747 178.747 178.122 0.625 17613 2535 1 4 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.285 0.016 17613 2536 1 4 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.100 -0.652 17613 2537 1 4 . 1 1 62 62 GLN H H 62 8.434 8.434 7.918 0.516 17613 2538 1 4 . 1 1 63 63 LEU N N 63 120.071 120.071 120.023 0.048 17613 2539 1 4 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.009 0.125 17613 2540 1 4 . 1 1 63 63 LEU C C 63 178.552 178.552 178.981 -0.429 17613 2541 1 4 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.727 -1.084 17613 2542 1 4 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.592 -0.698 17613 2543 1 4 . 1 1 63 63 LEU H H 63 7.671 7.671 8.152 -0.481 17613 2544 1 4 . 1 1 64 64 LEU N N 64 117.705 117.705 120.471 -2.766 17613 2545 1 4 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.970 -0.063 17613 2546 1 4 . 1 1 64 64 LEU C C 64 172.526 172.526 178.274 -5.748 17613 2547 1 4 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.264 -0.486 17613 2548 1 4 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.864 -0.514 17613 2549 1 4 . 1 1 64 64 LEU H H 64 7.626 7.626 7.565 0.061 17613 2550 1 4 . 1 1 65 65 LYS N N 65 118.311 118.311 119.275 -0.964 17613 2551 1 4 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.842 -0.048 17613 2552 1 4 . 1 1 65 65 LYS C C 65 178.479 178.479 179.124 -0.645 17613 2553 1 4 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.154 0.072 17613 2554 1 4 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.224 0.042 17613 2555 1 4 . 1 1 65 65 LYS H H 65 8.038 8.038 7.781 0.257 17613 2556 1 4 . 1 1 66 66 GLU N N 66 119.362 119.362 118.179 1.183 17613 2557 1 4 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.008 0.018 17613 2558 1 4 . 1 1 66 66 GLU C C 66 178.893 178.893 178.920 -0.027 17613 2559 1 4 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.918 0.201 17613 2560 1 4 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.153 0.109 17613 2561 1 4 . 1 1 66 66 GLU H H 66 7.803 7.803 7.956 -0.153 17613 2562 1 4 . 1 1 67 67 MET N N 67 118.398 118.398 119.711 -1.313 17613 2563 1 4 . 1 1 67 67 MET HA H 67 3.948 3.948 4.106 -0.158 17613 2564 1 4 . 1 1 67 67 MET C C 67 177.527 177.527 178.487 -0.960 17613 2565 1 4 . 1 1 67 67 MET CA C 67 59.963 59.963 59.298 0.665 17613 2566 1 4 . 1 1 67 67 MET CB C 67 33.443 33.443 32.685 0.758 17613 2567 1 4 . 1 1 67 67 MET H H 67 8.394 8.394 7.756 0.638 17613 2568 1 4 . 1 1 68 68 LEU N N 68 118.269 118.269 117.539 0.730 17613 2569 1 4 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.851 -0.072 17613 2570 1 4 . 1 1 68 68 LEU C C 68 178.869 178.869 179.303 -0.434 17613 2571 1 4 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.449 0.492 17613 2572 1 4 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.124 -0.249 17613 2573 1 4 . 1 1 68 68 LEU H H 68 8.471 8.471 7.878 0.593 17613 2574 1 4 . 1 1 69 69 GLU N N 69 118.681 118.681 119.588 -0.907 17613 2575 1 4 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.104 -0.049 17613 2576 1 4 . 1 1 69 69 GLU C C 69 179.063 179.063 179.211 -0.148 17613 2577 1 4 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.271 0.153 17613 2578 1 4 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.685 -0.545 17613 2579 1 4 . 1 1 69 69 GLU H H 69 7.627 7.627 7.859 -0.232 17613 2580 1 4 . 1 1 70 70 LEU N N 70 119.503 119.503 120.436 -0.933 17613 2581 1 4 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.052 0.109 17613 2582 1 4 . 1 1 70 70 LEU C C 70 179.699 179.699 179.041 0.658 17613 2583 1 4 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.736 0.038 17613 2584 1 4 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.049 -0.105 17613 2585 1 4 . 1 1 70 70 LEU H H 70 7.717 7.717 7.878 -0.161 17613 2586 1 4 . 1 1 71 71 ILE N N 71 116.791 116.791 118.689 -1.898 17613 2587 1 4 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.534 0.203 17613 2588 1 4 . 1 1 71 71 ILE C C 71 178.357 178.357 177.749 0.608 17613 2589 1 4 . 1 1 71 71 ILE CA C 71 64.242 64.242 64.891 -0.649 17613 2590 1 4 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.669 0.233 17613 2591 1 4 . 1 1 71 71 ILE H H 71 8.598 8.598 8.304 0.294 17613 2592 1 4 . 1 1 72 72 SER N N 72 116.517 116.517 115.438 1.079 17613 2593 1 4 . 1 1 72 72 SER HA H 72 4.365 4.365 4.169 0.196 17613 2594 1 4 . 1 1 72 72 SER C C 72 176.845 176.845 176.053 0.792 17613 2595 1 4 . 1 1 72 72 SER CA C 72 61.365 61.365 61.459 -0.094 17613 2596 1 4 . 1 1 72 72 SER CB C 72 62.780 62.780 63.130 -0.350 17613 2597 1 4 . 1 1 72 72 SER H H 72 8.023 8.023 7.892 0.131 17613 2598 1 4 . 1 1 73 73 LYS N N 73 120.731 120.731 119.642 1.089 17613 2599 1 4 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.071 0.220 17613 2600 1 4 . 1 1 73 73 LYS C C 73 177.771 177.771 178.431 -0.660 17613 2601 1 4 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.416 -0.939 17613 2602 1 4 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.362 -0.216 17613 2603 1 4 . 1 1 73 73 LYS H H 73 7.723 7.723 7.568 0.155 17613 2604 1 4 . 1 1 74 74 LEU N N 74 117.572 117.572 117.034 0.538 17613 2605 1 4 . 1 1 74 74 LEU HA H 74 4.227 4.227 3.954 0.273 17613 2606 1 4 . 1 1 74 74 LEU C C 74 177.332 177.332 177.510 -0.178 17613 2607 1 4 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.164 0.035 17613 2608 1 4 . 1 1 74 74 LEU CB C 74 41.486 41.486 41.918 -0.432 17613 2609 1 4 . 1 1 74 74 LEU H H 74 7.609 7.609 7.244 0.365 17613 2610 1 4 . 1 1 75 75 GLY N N 75 105.991 105.991 105.420 0.571 17613 2611 1 4 . 1 1 75 75 GLY C C 75 174.771 174.771 174.701 0.070 17613 2612 1 4 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.321 0.521 17613 2613 1 4 . 1 1 75 75 GLY H H 75 7.925 7.925 7.685 0.240 17613 2614 1 4 . 1 1 76 76 TYR N N 76 118.452 118.452 118.378 0.074 17613 2615 1 4 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.703 0.075 17613 2616 1 4 . 1 1 76 76 TYR C C 76 175.234 175.234 176.131 -0.897 17613 2617 1 4 . 1 1 76 76 TYR CA C 76 55.504 55.504 55.699 -0.195 17613 2618 1 4 . 1 1 76 76 TYR CB C 76 37.962 37.962 39.040 -1.078 17613 2619 1 4 . 1 1 76 76 TYR H H 76 7.366 7.366 7.350 0.016 17613 2620 1 4 . 1 1 77 77 LYS N N 77 122.866 122.866 124.697 -1.831 17613 2621 1 4 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.380 0.168 17613 2622 1 4 . 1 1 77 77 LYS C C 77 174.138 174.138 175.207 -1.069 17613 2623 1 4 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.331 -0.261 17613 2624 1 4 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.618 -0.401 17613 2625 1 4 . 1 1 77 77 LYS H H 77 8.290 8.290 8.350 -0.060 17613 2626 1 4 . 1 1 78 78 VAL N N 78 124.071 124.071 126.259 -2.188 17613 2627 1 4 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.043 0.123 17613 2628 1 4 . 1 1 78 78 VAL C C 78 174.162 174.162 175.102 -0.940 17613 2629 1 4 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.052 -0.823 17613 2630 1 4 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.498 0.857 17613 2631 1 4 . 1 1 78 78 VAL H H 78 7.830 7.830 8.317 -0.487 17613 2632 1 4 . 1 1 79 79 PHE N N 79 126.174 126.174 124.883 1.291 17613 2633 1 4 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.598 -0.031 17613 2634 1 4 . 1 1 79 79 PHE C C 79 173.357 173.357 174.335 -0.978 17613 2635 1 4 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.587 -0.634 17613 2636 1 4 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.255 -0.071 17613 2637 1 4 . 1 1 79 79 PHE H H 79 8.374 8.374 8.223 0.151 17613 2638 1 4 . 1 1 80 80 LEU N N 80 123.959 123.959 126.138 -2.179 17613 2639 1 4 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.350 0.196 17613 2640 1 4 . 1 1 80 80 LEU C C 80 173.503 173.503 174.670 -1.167 17613 2641 1 4 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.057 0.941 17613 2642 1 4 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.059 0.608 17613 2643 1 4 . 1 1 80 80 LEU H H 80 8.601 8.601 8.454 0.147 17613 2644 1 4 . 1 1 81 81 LEU N N 81 126.694 126.694 128.785 -2.091 17613 2645 1 4 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.031 0.238 17613 2646 1 4 . 1 1 81 81 LEU C C 81 173.649 173.649 174.449 -0.800 17613 2647 1 4 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.599 -0.535 17613 2648 1 4 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.004 0.773 17613 2649 1 4 . 1 1 81 81 LEU H H 81 9.063 9.063 8.975 0.088 17613 2650 1 4 . 1 1 82 82 LEU N N 82 124.888 124.888 127.843 -2.955 17613 2651 1 4 . 1 1 82 82 LEU HA H 82 4.911 4.911 5.021 -0.110 17613 2652 1 4 . 1 1 82 82 LEU C C 82 174.479 174.479 174.985 -0.506 17613 2653 1 4 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.803 -0.668 17613 2654 1 4 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.210 1.012 17613 2655 1 4 . 1 1 82 82 LEU H H 82 8.864 8.864 8.146 0.718 17613 2656 1 4 . 1 1 83 83 GLN N N 83 122.153 122.153 125.055 -2.902 17613 2657 1 4 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.172 0.088 17613 2658 1 4 . 1 1 83 83 GLN C C 83 174.333 174.333 174.705 -0.372 17613 2659 1 4 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.042 0.544 17613 2660 1 4 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.997 -1.127 17613 2661 1 4 . 1 1 83 83 GLN H H 83 8.437 8.437 8.811 -0.374 17613 2662 1 4 . 1 1 84 84 ASP N N 84 124.451 124.451 126.681 -2.230 17613 2663 1 4 . 1 1 84 84 ASP HA H 84 4.502 4.502 5.589 -1.087 17613 2664 1 4 . 1 1 84 84 ASP C C 84 174.308 174.308 176.291 -1.983 17613 2665 1 4 . 1 1 84 84 ASP CA C 84 54.015 54.015 52.743 1.272 17613 2666 1 4 . 1 1 84 84 ASP CB C 84 43.771 43.771 45.382 -1.611 17613 2667 1 4 . 1 1 84 84 ASP H H 84 8.205 8.205 8.105 0.100 17613 2668 1 4 . 1 1 85 85 GLN N N 85 120.202 120.202 118.394 1.808 17613 2669 1 4 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.370 -0.036 17613 2670 1 4 . 1 1 85 85 GLN C C 85 175.431 175.431 175.401 0.030 17613 2671 1 4 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.211 -0.616 17613 2672 1 4 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.879 -0.545 17613 2673 1 4 . 1 1 85 85 GLN H H 85 8.617 8.617 8.670 -0.053 17613 2674 1 4 . 1 1 86 86 ASP N N 86 120.508 120.508 118.986 1.522 17613 2675 1 4 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.777 -0.092 17613 2676 1 4 . 1 1 86 86 ASP C C 86 175.747 175.747 176.317 -0.570 17613 2677 1 4 . 1 1 86 86 ASP CA C 86 53.512 53.512 52.936 0.576 17613 2678 1 4 . 1 1 86 86 ASP CB C 86 40.957 40.957 42.349 -1.393 17613 2679 1 4 . 1 1 86 86 ASP H H 86 8.691 8.691 7.981 0.710 17613 2680 1 4 . 1 1 87 87 GLU N N 87 123.604 123.604 124.149 -0.545 17613 2681 1 4 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.140 -0.105 17613 2682 1 4 . 1 1 87 87 GLU C C 87 177.771 177.771 178.111 -0.340 17613 2683 1 4 . 1 1 87 87 GLU CA C 87 58.522 58.522 58.946 -0.424 17613 2684 1 4 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.915 -0.340 17613 2685 1 4 . 1 1 87 87 GLU H H 87 8.642 8.642 8.981 -0.339 17613 2686 1 4 . 1 1 88 88 ASN N N 88 118.838 118.838 118.919 -0.081 17613 2687 1 4 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.535 0.026 17613 2688 1 4 . 1 1 88 88 ASN C C 88 177.089 177.089 177.769 -0.680 17613 2689 1 4 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.393 -0.751 17613 2690 1 4 . 1 1 88 88 ASN CB C 88 38.166 38.166 38.456 -0.290 17613 2691 1 4 . 1 1 88 88 ASN H H 88 8.527 8.527 8.039 0.488 17613 2692 1 4 . 1 1 89 89 GLU N N 89 120.947 120.947 120.594 0.353 17613 2693 1 4 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.190 -0.043 17613 2694 1 4 . 1 1 89 89 GLU C C 89 178.357 178.357 178.908 -0.551 17613 2695 1 4 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.680 -0.429 17613 2696 1 4 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.705 -0.461 17613 2697 1 4 . 1 1 89 89 GLU H H 89 8.221 8.221 8.150 0.071 17613 2698 1 4 . 1 1 90 90 LEU N N 90 119.582 119.582 122.317 -2.735 17613 2699 1 4 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.150 0.055 17613 2700 1 4 . 1 1 90 90 LEU C C 90 177.917 177.917 178.784 -0.867 17613 2701 1 4 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.105 -1.161 17613 2702 1 4 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.916 0.540 17613 2703 1 4 . 1 1 90 90 LEU H H 90 8.047 8.047 7.865 0.182 17613 2704 1 4 . 1 1 91 91 GLU N N 91 119.029 119.029 118.295 0.734 17613 2705 1 4 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.071 0.002 17613 2706 1 4 . 1 1 91 91 GLU C C 91 178.284 178.284 178.831 -0.547 17613 2707 1 4 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.202 -0.073 17613 2708 1 4 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.183 -0.213 17613 2709 1 4 . 1 1 91 91 GLU H H 91 7.940 7.940 8.107 -0.167 17613 2710 1 4 . 1 1 92 92 GLU N N 92 118.667 118.667 119.879 -1.212 17613 2711 1 4 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.061 -0.029 17613 2712 1 4 . 1 1 92 92 GLU C C 92 178.103 178.103 178.982 -0.879 17613 2713 1 4 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.391 -0.139 17613 2714 1 4 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.623 -0.692 17613 2715 1 4 . 1 1 92 92 GLU H H 92 8.088 8.088 8.002 0.086 17613 2716 1 4 . 1 1 93 93 PHE N N 93 120.118 120.118 118.520 1.598 17613 2717 1 4 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.372 -0.032 17613 2718 1 4 . 1 1 93 93 PHE C C 93 176.894 176.894 177.251 -0.357 17613 2719 1 4 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.674 0.771 17613 2720 1 4 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.684 -0.697 17613 2721 1 4 . 1 1 93 93 PHE H H 93 8.103 8.103 7.916 0.187 17613 2722 1 4 . 1 1 94 94 LYS N N 94 118.941 118.941 121.313 -2.372 17613 2723 1 4 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.744 -0.127 17613 2724 1 4 . 1 1 94 94 LYS C C 94 177.600 177.600 178.413 -0.813 17613 2725 1 4 . 1 1 94 94 LYS CA C 94 60.076 60.076 60.024 0.052 17613 2726 1 4 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.516 -0.051 17613 2727 1 4 . 1 1 94 94 LYS H H 94 8.606 8.606 8.002 0.604 17613 2728 1 4 . 1 1 95 95 ARG N N 95 117.194 117.194 116.897 0.297 17613 2729 1 4 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.071 0.079 17613 2730 1 4 . 1 1 95 95 ARG C C 95 179.404 179.404 178.405 0.999 17613 2731 1 4 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.022 0.081 17613 2732 1 4 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.846 -0.027 17613 2733 1 4 . 1 1 95 95 ARG H H 95 8.159 8.159 8.157 0.002 17613 2734 1 4 . 1 1 96 96 LYS N N 96 119.582 119.582 119.515 0.067 17613 2735 1 4 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.045 0.020 17613 2736 1 4 . 1 1 96 96 LYS C C 96 179.034 179.034 178.340 0.694 17613 2737 1 4 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.025 -0.091 17613 2738 1 4 . 1 1 96 96 LYS CB C 96 32.069 32.069 31.997 0.072 17613 2739 1 4 . 1 1 96 96 LYS H H 96 7.786 7.786 7.682 0.104 17613 2740 1 4 . 1 1 97 97 ILE N N 97 118.550 118.550 118.088 0.462 17613 2741 1 4 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.166 -0.228 17613 2742 1 4 . 1 1 97 97 ILE C C 97 178.284 178.284 178.084 0.200 17613 2743 1 4 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.599 -1.030 17613 2744 1 4 . 1 1 97 97 ILE CB C 97 37.206 37.206 38.360 -1.154 17613 2745 1 4 . 1 1 97 97 ILE H H 97 7.831 7.831 7.463 0.368 17613 2746 1 4 . 1 1 98 98 GLU N N 98 121.984 121.984 120.882 1.102 17613 2747 1 4 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.352 -0.016 17613 2748 1 4 . 1 1 98 98 GLU C C 98 180.040 180.040 179.332 0.708 17613 2749 1 4 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.863 0.087 17613 2750 1 4 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.341 0.094 17613 2751 1 4 . 1 1 98 98 GLU H H 98 8.670 8.670 8.307 0.363 17613 2752 1 4 . 1 1 99 99 SER N N 99 115.499 115.499 115.319 0.180 17613 2753 1 4 . 1 1 99 99 SER HA H 99 4.343 4.343 4.298 0.045 17613 2754 1 4 . 1 1 99 99 SER C C 99 174.820 174.820 175.763 -0.943 17613 2755 1 4 . 1 1 99 99 SER CA C 99 60.410 60.410 60.402 0.008 17613 2756 1 4 . 1 1 99 99 SER CB C 99 62.680 62.680 63.193 -0.513 17613 2757 1 4 . 1 1 99 99 SER H H 99 8.099 8.099 7.686 0.413 17613 2758 1 4 . 1 1 100 100 GLN N N 100 119.301 119.301 118.598 0.703 17613 2759 1 4 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.238 0.072 17613 2760 1 4 . 1 1 100 100 GLN C C 100 175.857 175.857 175.887 -0.030 17613 2761 1 4 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.622 0.304 17613 2762 1 4 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.017 0.195 17613 2763 1 4 . 1 1 100 100 GLN H H 100 7.623 7.623 7.303 0.320 17613 2764 1 4 . 1 1 101 101 GLY N N 101 105.765 105.765 106.078 -0.313 17613 2765 1 4 . 1 1 101 101 GLY C C 101 173.748 173.748 173.797 -0.049 17613 2766 1 4 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.632 0.571 17613 2767 1 4 . 1 1 101 101 GLY H H 101 7.945 7.945 7.509 0.436 17613 2768 1 4 . 1 1 102 102 TYR N N 102 117.993 117.993 118.133 -0.140 17613 2769 1 4 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.529 0.143 17613 2770 1 4 . 1 1 102 102 TYR C C 102 174.747 174.747 174.893 -0.146 17613 2771 1 4 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.326 -0.072 17613 2772 1 4 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.735 -1.687 17613 2773 1 4 . 1 1 102 102 TYR H H 102 6.890 6.890 7.319 -0.429 17613 2774 1 4 . 1 1 103 103 GLU N N 103 122.864 122.864 124.308 -1.444 17613 2775 1 4 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.447 0.060 17613 2776 1 4 . 1 1 103 103 GLU C C 103 174.162 174.162 174.801 -0.639 17613 2777 1 4 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.841 0.543 17613 2778 1 4 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.421 0.950 17613 2779 1 4 . 1 1 103 103 GLU H H 103 8.318 8.318 8.585 -0.267 17613 2780 1 4 . 1 1 104 104 VAL N N 104 124.342 124.342 125.744 -1.402 17613 2781 1 4 . 1 1 104 104 VAL HA H 104 5.228 5.228 5.287 -0.059 17613 2782 1 4 . 1 1 104 104 VAL C C 104 174.235 174.235 175.933 -1.698 17613 2783 1 4 . 1 1 104 104 VAL CA C 104 59.280 59.280 60.533 -1.253 17613 2784 1 4 . 1 1 104 104 VAL CB C 104 34.167 34.167 34.065 0.102 17613 2785 1 4 . 1 1 104 104 VAL H H 104 8.651 8.651 7.988 0.663 17613 2786 1 4 . 1 1 105 105 ARG N N 105 124.856 124.856 126.217 -1.361 17613 2787 1 4 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.789 0.126 17613 2788 1 4 . 1 1 105 105 ARG C C 105 173.917 173.917 175.229 -1.312 17613 2789 1 4 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.607 -1.142 17613 2790 1 4 . 1 1 105 105 ARG CB C 105 32.955 32.955 34.455 -1.500 17613 2791 1 4 . 1 1 105 105 ARG H H 105 8.705 8.705 8.415 0.290 17613 2792 1 4 . 1 1 106 106 LYS N N 106 121.499 121.499 122.356 -0.857 17613 2793 1 4 . 1 1 106 106 LYS HA H 106 5.578 5.578 4.612 0.966 17613 2794 1 4 . 1 1 106 106 LYS C C 106 174.820 174.820 175.861 -1.041 17613 2795 1 4 . 1 1 106 106 LYS CA C 106 53.868 53.868 56.145 -2.277 17613 2796 1 4 . 1 1 106 106 LYS CB C 106 35.299 35.299 33.732 1.567 17613 2797 1 4 . 1 1 106 106 LYS H H 106 8.807 8.807 8.479 0.328 17613 2798 1 4 . 1 1 107 107 VAL N N 107 118.792 118.792 122.393 -3.601 17613 2799 1 4 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.531 0.084 17613 2800 1 4 . 1 1 107 107 VAL C C 107 173.332 173.332 174.559 -1.227 17613 2801 1 4 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.566 -0.344 17613 2802 1 4 . 1 1 107 107 VAL CB C 107 35.234 35.234 34.958 0.276 17613 2803 1 4 . 1 1 107 107 VAL H H 107 8.555 8.555 8.104 0.451 17613 2804 1 4 . 1 1 108 108 THR N N 108 114.072 114.072 115.206 -1.134 17613 2805 1 4 . 1 1 108 108 THR HA H 108 4.781 4.781 5.006 -0.225 17613 2806 1 4 . 1 1 108 108 THR C C 108 174.625 174.625 174.251 0.374 17613 2807 1 4 . 1 1 108 108 THR CA C 108 62.221 62.221 60.949 1.272 17613 2808 1 4 . 1 1 108 108 THR CB C 108 69.975 69.975 70.152 -0.177 17613 2809 1 4 . 1 1 108 108 THR H H 108 8.604 8.604 8.368 0.236 17613 2810 1 4 . 1 1 109 109 ASP N N 109 122.574 122.574 123.922 -1.348 17613 2811 1 4 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.697 0.041 17613 2812 1 4 . 1 1 109 109 ASP C C 109 175.796 175.796 177.298 -1.502 17613 2813 1 4 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.088 -0.239 17613 2814 1 4 . 1 1 109 109 ASP CB C 109 43.688 43.688 41.904 1.784 17613 2815 1 4 . 1 1 109 109 ASP H H 109 8.036 8.036 7.947 0.089 17613 2816 1 4 . 1 1 110 110 ASP N N 110 122.852 122.852 123.456 -0.604 17613 2817 1 4 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.318 -0.223 17613 2818 1 4 . 1 1 110 110 ASP C C 110 177.527 177.527 177.844 -0.317 17613 2819 1 4 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.404 -0.016 17613 2820 1 4 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.736 -0.435 17613 2821 1 4 . 1 1 110 110 ASP H H 110 8.696 8.696 8.834 -0.138 17613 2822 1 4 . 1 1 111 111 GLU N N 111 119.144 119.144 119.306 -0.162 17613 2823 1 4 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.072 -0.084 17613 2824 1 4 . 1 1 111 111 GLU C C 111 179.942 179.942 178.775 1.167 17613 2825 1 4 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.329 0.028 17613 2826 1 4 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.461 -0.965 17613 2827 1 4 . 1 1 111 111 GLU H H 111 8.213 8.213 8.635 -0.422 17613 2828 1 4 . 1 1 112 112 GLU N N 112 121.400 121.400 119.192 2.208 17613 2829 1 4 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.026 -0.029 17613 2830 1 4 . 1 1 112 112 GLU C C 112 178.430 178.430 178.504 -0.074 17613 2831 1 4 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.720 0.029 17613 2832 1 4 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.708 0.486 17613 2833 1 4 . 1 1 112 112 GLU H H 112 8.234 8.234 8.316 -0.082 17613 2834 1 4 . 1 1 113 113 ALA N N 113 120.316 120.316 122.285 -1.969 17613 2835 1 4 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.019 -0.219 17613 2836 1 4 . 1 1 113 113 ALA C C 113 178.430 178.430 179.782 -1.352 17613 2837 1 4 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.135 0.247 17613 2838 1 4 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.100 0.502 17613 2839 1 4 . 1 1 113 113 ALA H H 113 8.118 8.118 7.793 0.325 17613 2840 1 4 . 1 1 114 114 LEU N N 114 116.901 116.901 117.294 -0.393 17613 2841 1 4 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.841 -0.128 17613 2842 1 4 . 1 1 114 114 LEU C C 114 178.431 178.431 179.373 -0.942 17613 2843 1 4 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.460 0.215 17613 2844 1 4 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.355 -0.419 17613 2845 1 4 . 1 1 114 114 LEU H H 114 7.743 7.743 7.543 0.200 17613 2846 1 4 . 1 1 115 115 LYS N N 115 119.066 119.066 118.949 0.117 17613 2847 1 4 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.960 -0.160 17613 2848 1 4 . 1 1 115 115 LYS C C 115 179.404 179.404 179.055 0.349 17613 2849 1 4 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.561 0.322 17613 2850 1 4 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.348 -0.170 17613 2851 1 4 . 1 1 115 115 LYS H H 115 7.617 7.617 7.317 0.300 17613 2852 1 4 . 1 1 116 116 ILE N N 116 120.613 120.613 119.554 1.059 17613 2853 1 4 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.630 -0.170 17613 2854 1 4 . 1 1 116 116 ILE C C 116 177.016 177.016 177.785 -0.769 17613 2855 1 4 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.947 1.175 17613 2856 1 4 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.233 0.090 17613 2857 1 4 . 1 1 116 116 ILE H H 116 8.004 8.004 8.159 -0.154 17613 2858 1 4 . 1 1 117 117 VAL N N 117 120.234 120.234 120.862 -0.628 17613 2859 1 4 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.609 -0.349 17613 2860 1 4 . 1 1 117 117 VAL C C 117 177.746 177.746 178.164 -0.418 17613 2861 1 4 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.021 0.484 17613 2862 1 4 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.549 0.204 17613 2863 1 4 . 1 1 117 117 VAL H H 117 8.121 8.121 8.083 0.038 17613 2864 1 4 . 1 1 118 118 ARG N N 118 118.415 118.415 117.728 0.687 17613 2865 1 4 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.958 -0.065 17613 2866 1 4 . 1 1 118 118 ARG C C 118 178.966 178.966 178.949 0.017 17613 2867 1 4 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.438 0.731 17613 2868 1 4 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.810 -0.108 17613 2869 1 4 . 1 1 118 118 ARG H H 118 8.026 8.026 7.336 0.690 17613 2870 1 4 . 1 1 119 119 GLU N N 119 122.419 122.419 120.350 2.069 17613 2871 1 4 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.032 -0.005 17613 2872 1 4 . 1 1 119 119 GLU C C 119 179.429 179.429 178.772 0.657 17613 2873 1 4 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.017 0.513 17613 2874 1 4 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.063 -0.102 17613 2875 1 4 . 1 1 119 119 GLU H H 119 7.918 7.918 7.650 0.268 17613 2876 1 4 . 1 1 120 120 PHE N N 120 119.597 119.597 119.550 0.047 17613 2877 1 4 . 1 1 120 120 PHE HA H 120 4.022 4.022 4.051 -0.029 17613 2878 1 4 . 1 1 120 120 PHE C C 120 177.698 177.698 178.134 -0.436 17613 2879 1 4 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.960 -3.092 17613 2880 1 4 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.242 -1.489 17613 2881 1 4 . 1 1 120 120 PHE H H 120 8.826 8.826 7.990 0.836 17613 2882 1 4 . 1 1 121 121 MET N N 121 116.596 116.596 116.992 -0.396 17613 2883 1 4 . 1 1 121 121 MET HA H 121 3.931 3.931 3.947 -0.016 17613 2884 1 4 . 1 1 121 121 MET C C 121 179.577 179.577 178.456 1.121 17613 2885 1 4 . 1 1 121 121 MET CA C 121 59.785 59.785 58.574 1.211 17613 2886 1 4 . 1 1 121 121 MET CB C 121 33.643 33.643 32.024 1.619 17613 2887 1 4 . 1 1 121 121 MET H H 121 8.317 8.317 8.435 -0.118 17613 2888 1 4 . 1 1 122 122 GLN N N 122 120.565 120.565 120.708 -0.143 17613 2889 1 4 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.923 0.212 17613 2890 1 4 . 1 1 122 122 GLN C C 122 178.893 178.893 177.944 0.949 17613 2891 1 4 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.277 -0.532 17613 2892 1 4 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.592 -0.572 17613 2893 1 4 . 1 1 122 122 GLN H H 122 8.054 8.054 7.858 0.196 17613 2894 1 4 . 1 1 123 123 LYS N N 123 121.605 121.605 119.316 2.289 17613 2895 1 4 . 1 1 123 123 LYS HA H 123 4.025 4.025 3.980 0.045 17613 2896 1 4 . 1 1 123 123 LYS C C 123 179.307 179.307 178.842 0.465 17613 2897 1 4 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.877 0.366 17613 2898 1 4 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.178 0.128 17613 2899 1 4 . 1 1 123 123 LYS H H 123 8.400 8.400 7.979 0.421 17613 2900 1 4 . 1 1 124 124 ALA N N 124 121.873 121.873 121.179 0.694 17613 2901 1 4 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.196 -0.052 17613 2902 1 4 . 1 1 124 124 ALA C C 124 179.112 179.112 179.639 -0.527 17613 2903 1 4 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.775 -0.123 17613 2904 1 4 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.147 0.787 17613 2905 1 4 . 1 1 124 124 ALA H H 124 8.601 8.601 7.579 1.022 17613 2906 1 4 . 1 1 125 125 GLY N N 125 104.755 104.755 105.639 -0.884 17613 2907 1 4 . 1 1 125 125 GLY C C 125 175.553 175.553 176.434 -0.881 17613 2908 1 4 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.869 -0.578 17613 2909 1 4 . 1 1 125 125 GLY H H 125 7.949 7.949 8.058 -0.109 17613 2910 1 4 . 1 1 126 126 SER N N 126 116.080 116.080 117.098 -1.018 17613 2911 1 4 . 1 1 126 126 SER HA H 126 4.447 4.447 4.305 0.142 17613 2912 1 4 . 1 1 126 126 SER C C 126 175.504 175.504 175.846 -0.342 17613 2913 1 4 . 1 1 126 126 SER CA C 126 59.965 59.965 60.916 -0.951 17613 2914 1 4 . 1 1 126 126 SER CB C 126 63.460 63.460 63.171 0.289 17613 2915 1 4 . 1 1 126 126 SER H H 126 7.861 7.861 7.675 0.186 17613 2916 1 4 . 1 1 127 127 LEU N N 127 122.372 122.372 120.510 1.862 17613 2917 1 4 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.165 0.117 17613 2918 1 4 . 1 1 127 127 LEU C C 127 177.990 177.990 177.726 0.264 17613 2919 1 4 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.072 0.145 17613 2920 1 4 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.011 0.062 17613 2921 1 4 . 1 1 127 127 LEU H H 127 7.882 7.882 7.502 0.380 17613 2922 1 4 . 1 1 128 128 GLU N N 128 119.775 119.775 119.808 -0.033 17613 2923 1 4 . 1 1 128 128 GLU HA H 128 3.908 3.908 3.661 0.247 17613 2924 1 4 . 1 1 128 128 GLU CA C 128 57.611 57.611 57.854 -0.243 17613 2925 1 4 . 1 1 128 128 GLU CB C 128 29.830 29.830 30.151 -0.322 17613 2926 1 4 . 1 1 128 128 GLU H H 128 8.084 8.084 7.816 0.268 17613 2927 1 4 . 1 1 131 131 HIS N N 131 125.272 125.272 125.052 0.220 17613 2928 1 4 . 1 1 131 131 HIS H H 131 8.059 8.059 8.042 0.017 17613 2929 1 5 . 1 1 3 3 ILE HA H 3 4.826 4.826 5.085 -0.259 17613 2930 1 5 . 1 1 3 3 ILE C C 3 173.405 173.405 174.882 -1.477 17613 2931 1 5 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.070 -0.514 17613 2932 1 5 . 1 1 3 3 ILE CB C 3 40.508 40.508 40.063 0.445 17613 2933 1 5 . 1 1 3 3 ILE H H 3 8.444 8.444 8.600 -0.156 17613 2934 1 5 . 1 1 4 4 LEU N N 4 127.785 127.785 127.601 0.184 17613 2935 1 5 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.454 0.005 17613 2936 1 5 . 1 1 4 4 LEU C C 4 174.832 174.832 176.106 -1.274 17613 2937 1 5 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.279 0.062 17613 2938 1 5 . 1 1 4 4 LEU CB C 4 45.313 45.313 45.028 0.285 17613 2939 1 5 . 1 1 4 4 LEU H H 4 9.081 9.081 8.874 0.207 17613 2940 1 5 . 1 1 5 5 ILE N N 5 123.010 123.010 124.299 -1.289 17613 2941 1 5 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.462 0.371 17613 2942 1 5 . 1 1 5 5 ILE C C 5 173.357 173.357 174.700 -1.343 17613 2943 1 5 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.148 1.397 17613 2944 1 5 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.550 2.982 17613 2945 1 5 . 1 1 5 5 ILE H H 5 8.765 8.765 8.648 0.117 17613 2946 1 5 . 1 1 6 6 LEU N N 6 129.320 129.320 130.280 -0.960 17613 2947 1 5 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.069 0.277 17613 2948 1 5 . 1 1 6 6 LEU C C 6 174.795 174.795 175.030 -0.235 17613 2949 1 5 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.356 -0.356 17613 2950 1 5 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.247 1.281 17613 2951 1 5 . 1 1 6 6 LEU H H 6 9.235 9.235 8.462 0.773 17613 2952 1 5 . 1 1 7 7 ILE N N 7 120.746 120.746 126.323 -5.577 17613 2953 1 5 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.456 0.725 17613 2954 1 5 . 1 1 7 7 ILE C C 7 173.819 173.819 173.798 0.021 17613 2955 1 5 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.356 -2.141 17613 2956 1 5 . 1 1 7 7 ILE CB C 7 40.154 40.154 40.648 -0.494 17613 2957 1 5 . 1 1 7 7 ILE H H 7 8.931 8.931 9.056 -0.125 17613 2958 1 5 . 1 1 8 8 ASN N N 8 125.539 125.539 126.696 -1.157 17613 2959 1 5 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.765 0.137 17613 2960 1 5 . 1 1 8 8 ASN C C 8 176.478 176.478 174.179 2.299 17613 2961 1 5 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.074 -0.970 17613 2962 1 5 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.658 0.924 17613 2963 1 5 . 1 1 8 8 ASN H H 8 8.634 8.634 9.071 -0.437 17613 2964 1 5 . 1 1 9 9 THR N N 9 118.493 118.493 119.199 -0.706 17613 2965 1 5 . 1 1 9 9 THR HA H 9 4.739 4.739 5.047 -0.308 17613 2966 1 5 . 1 1 9 9 THR C C 9 170.114 170.114 174.018 -3.904 17613 2967 1 5 . 1 1 9 9 THR CA C 9 60.689 60.689 59.824 0.865 17613 2968 1 5 . 1 1 9 9 THR CB C 9 67.766 67.766 71.630 -3.864 17613 2969 1 5 . 1 1 9 9 THR H H 9 8.044 8.044 8.451 -0.407 17613 2970 1 5 . 1 1 10 10 ASN N N 10 123.266 123.266 125.180 -1.914 17613 2971 1 5 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.652 0.315 17613 2972 1 5 . 1 1 10 10 ASN C C 10 174.601 174.601 175.113 -0.512 17613 2973 1 5 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.428 -2.584 17613 2974 1 5 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.393 -0.077 17613 2975 1 5 . 1 1 10 10 ASN H H 10 8.440 8.440 8.812 -0.372 17613 2976 1 5 . 1 1 11 11 ASN N N 11 120.920 120.920 118.467 2.453 17613 2977 1 5 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.895 -0.202 17613 2978 1 5 . 1 1 11 11 ASN C C 11 174.333 174.333 175.368 -1.035 17613 2979 1 5 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.642 -0.206 17613 2980 1 5 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.169 -0.820 17613 2981 1 5 . 1 1 11 11 ASN H H 11 8.366 8.366 7.954 0.412 17613 2982 1 5 . 1 1 12 12 ASP N N 12 126.315 126.315 123.724 2.591 17613 2983 1 5 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.299 -0.026 17613 2984 1 5 . 1 1 12 12 ASP C C 12 178.089 178.089 177.268 0.821 17613 2985 1 5 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.654 -0.046 17613 2986 1 5 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.883 0.279 17613 2987 1 5 . 1 1 12 12 ASP H H 12 8.586 8.586 8.961 -0.375 17613 2988 1 5 . 1 1 13 13 GLU N N 13 119.325 119.325 119.918 -0.593 17613 2989 1 5 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.045 -0.019 17613 2990 1 5 . 1 1 13 13 GLU C C 13 178.893 178.893 178.496 0.397 17613 2991 1 5 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.105 -0.098 17613 2992 1 5 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.379 -0.670 17613 2993 1 5 . 1 1 13 13 GLU H H 13 8.289 8.289 8.424 -0.135 17613 2994 1 5 . 1 1 14 14 LEU N N 14 121.683 121.683 118.642 3.041 17613 2995 1 5 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.125 -0.140 17613 2996 1 5 . 1 1 14 14 LEU C C 14 178.309 178.309 179.001 -0.692 17613 2997 1 5 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.831 0.430 17613 2998 1 5 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.812 -0.707 17613 2999 1 5 . 1 1 14 14 LEU H H 14 7.577 7.577 7.534 0.043 17613 3000 1 5 . 1 1 15 15 ILE N N 15 119.483 119.483 119.655 -0.172 17613 3001 1 5 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.535 -0.316 17613 3002 1 5 . 1 1 15 15 ILE C C 15 177.138 177.138 177.699 -0.561 17613 3003 1 5 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.537 1.053 17613 3004 1 5 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.464 -0.040 17613 3005 1 5 . 1 1 15 15 ILE H H 15 8.238 8.238 7.376 0.862 17613 3006 1 5 . 1 1 16 16 LYS N N 16 117.596 117.596 119.079 -1.483 17613 3007 1 5 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.979 -0.136 17613 3008 1 5 . 1 1 16 16 LYS C C 16 179.577 179.577 179.061 0.516 17613 3009 1 5 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.416 0.753 17613 3010 1 5 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.017 0.147 17613 3011 1 5 . 1 1 16 16 LYS H H 16 7.604 7.604 7.540 0.064 17613 3012 1 5 . 1 1 17 17 LYS N N 17 118.832 118.832 119.629 -0.797 17613 3013 1 5 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.108 -0.116 17613 3014 1 5 . 1 1 17 17 LYS C C 17 179.380 179.380 178.972 0.408 17613 3015 1 5 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.353 0.487 17613 3016 1 5 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.507 0.558 17613 3017 1 5 . 1 1 17 17 LYS H H 17 7.583 7.583 7.652 -0.069 17613 3018 1 5 . 1 1 18 18 ILE N N 18 120.961 120.961 120.334 0.627 17613 3019 1 5 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.585 -0.213 17613 3020 1 5 . 1 1 18 18 ILE C C 18 176.967 176.967 177.713 -0.746 17613 3021 1 5 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.462 0.012 17613 3022 1 5 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.680 -0.124 17613 3023 1 5 . 1 1 18 18 ILE H H 18 8.785 8.785 7.957 0.828 17613 3024 1 5 . 1 1 19 19 LYS N N 19 118.324 118.324 119.137 -0.813 17613 3025 1 5 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.876 -0.196 17613 3026 1 5 . 1 1 19 19 LYS C C 19 177.746 177.746 179.099 -1.353 17613 3027 1 5 . 1 1 19 19 LYS CA C 19 60.853 60.853 60.010 0.843 17613 3028 1 5 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.120 0.206 17613 3029 1 5 . 1 1 19 19 LYS H H 19 8.532 8.532 7.869 0.663 17613 3030 1 5 . 1 1 20 20 LYS N N 20 116.284 116.284 118.637 -2.353 17613 3031 1 5 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.148 -0.061 17613 3032 1 5 . 1 1 20 20 LYS C C 20 178.406 178.406 179.056 -0.650 17613 3033 1 5 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.296 0.243 17613 3034 1 5 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.964 0.017 17613 3035 1 5 . 1 1 20 20 LYS H H 20 7.303 7.303 7.599 -0.296 17613 3036 1 5 . 1 1 21 21 GLU N N 21 118.488 118.488 118.694 -0.206 17613 3037 1 5 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.090 -0.127 17613 3038 1 5 . 1 1 21 21 GLU C C 21 179.088 179.088 178.797 0.291 17613 3039 1 5 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.032 -0.138 17613 3040 1 5 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.443 -0.009 17613 3041 1 5 . 1 1 21 21 GLU H H 21 7.665 7.665 8.159 -0.494 17613 3042 1 5 . 1 1 22 22 VAL N N 22 109.032 109.032 113.021 -3.989 17613 3043 1 5 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.364 -0.232 17613 3044 1 5 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.231 -0.432 17613 3045 1 5 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.818 -1.989 17613 3046 1 5 . 1 1 22 22 VAL H H 22 8.037 8.037 8.107 -0.070 17613 3047 1 5 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.571 0.146 17613 3048 1 5 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.552 3.256 17613 3049 1 5 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.187 -0.016 17613 3050 1 5 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.612 0.034 17613 3051 1 5 . 1 1 25 25 GLN C C 25 175.692 175.692 175.904 -0.212 17613 3052 1 5 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.947 0.071 17613 3053 1 5 . 1 1 26 26 GLY N N 26 106.368 106.368 107.667 -1.299 17613 3054 1 5 . 1 1 26 26 GLY C C 26 174.382 174.382 174.109 0.273 17613 3055 1 5 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.664 0.293 17613 3056 1 5 . 1 1 26 26 GLY H H 26 8.020 8.020 7.529 0.491 17613 3057 1 5 . 1 1 27 27 TYR N N 27 119.082 119.082 119.420 -0.338 17613 3058 1 5 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.776 -0.343 17613 3059 1 5 . 1 1 27 27 TYR C C 27 174.528 174.528 175.855 -1.327 17613 3060 1 5 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.187 0.867 17613 3061 1 5 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.780 -0.775 17613 3062 1 5 . 1 1 27 27 TYR H H 27 7.845 7.845 8.148 -0.303 17613 3063 1 5 . 1 1 28 28 GLN N N 28 120.362 120.362 124.033 -3.671 17613 3064 1 5 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.362 0.137 17613 3065 1 5 . 1 1 28 28 GLN C C 28 174.625 174.625 175.567 -0.942 17613 3066 1 5 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.707 -1.327 17613 3067 1 5 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.374 2.081 17613 3068 1 5 . 1 1 28 28 GLN H H 28 8.338 8.338 8.651 -0.313 17613 3069 1 5 . 1 1 29 29 VAL N N 29 123.482 123.482 125.700 -2.218 17613 3070 1 5 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.806 0.237 17613 3071 1 5 . 1 1 29 29 VAL C C 29 175.820 175.820 176.157 -0.337 17613 3072 1 5 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.128 -0.640 17613 3073 1 5 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.343 0.130 17613 3074 1 5 . 1 1 29 29 VAL H H 29 8.776 8.776 8.212 0.564 17613 3075 1 5 . 1 1 30 30 ARG N N 30 127.787 127.787 127.965 -0.178 17613 3076 1 5 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.655 0.085 17613 3077 1 5 . 1 1 30 30 ARG C C 30 173.332 173.332 174.575 -1.243 17613 3078 1 5 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.846 -0.058 17613 3079 1 5 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.773 0.618 17613 3080 1 5 . 1 1 30 30 ARG H H 30 9.135 9.135 8.939 0.196 17613 3081 1 5 . 1 1 31 31 ASP N N 31 121.895 121.895 123.075 -1.180 17613 3082 1 5 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.282 -0.072 17613 3083 1 5 . 1 1 31 31 ASP C C 31 175.282 175.282 175.413 -0.131 17613 3084 1 5 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.849 0.521 17613 3085 1 5 . 1 1 31 31 ASP CB C 31 42.722 42.722 42.233 0.489 17613 3086 1 5 . 1 1 31 31 ASP H H 31 8.377 8.377 8.568 -0.191 17613 3087 1 5 . 1 1 32 32 VAL N N 32 120.426 120.426 121.651 -1.225 17613 3088 1 5 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.268 -0.020 17613 3089 1 5 . 1 1 32 32 VAL C C 32 174.114 174.114 174.677 -0.563 17613 3090 1 5 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.375 0.182 17613 3091 1 5 . 1 1 32 32 VAL CB C 32 33.884 33.884 34.058 -0.174 17613 3092 1 5 . 1 1 32 32 VAL H H 32 8.441 8.441 8.691 -0.250 17613 3093 1 5 . 1 1 33 33 ASN N N 33 122.700 122.700 121.778 0.922 17613 3094 1 5 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.952 0.025 17613 3095 1 5 . 1 1 33 33 ASN C C 33 174.235 174.235 173.731 0.504 17613 3096 1 5 . 1 1 33 33 ASN CA C 33 53.396 53.396 52.943 0.453 17613 3097 1 5 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.590 0.279 17613 3098 1 5 . 1 1 33 33 ASN H H 33 9.550 9.550 8.744 0.806 17613 3099 1 5 . 1 1 34 34 ASP N N 34 114.885 114.885 118.181 -3.296 17613 3100 1 5 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.794 -0.091 17613 3101 1 5 . 1 1 34 34 ASP C C 34 175.626 175.626 176.287 -0.661 17613 3102 1 5 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.374 1.109 17613 3103 1 5 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.386 -0.990 17613 3104 1 5 . 1 1 34 34 ASP H H 34 7.616 7.616 7.496 0.120 17613 3105 1 5 . 1 1 35 35 SER N N 35 114.381 114.381 118.660 -4.279 17613 3106 1 5 . 1 1 35 35 SER HA H 35 4.046 4.046 4.158 -0.112 17613 3107 1 5 . 1 1 35 35 SER C C 35 175.991 175.991 175.876 0.115 17613 3108 1 5 . 1 1 35 35 SER CA C 35 61.446 61.446 61.895 -0.450 17613 3109 1 5 . 1 1 35 35 SER CB C 35 62.764 62.764 63.285 -0.521 17613 3110 1 5 . 1 1 35 35 SER H H 35 8.869 8.869 8.867 0.002 17613 3111 1 5 . 1 1 36 36 ASP N N 36 124.695 124.695 120.166 4.529 17613 3112 1 5 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.485 0.034 17613 3113 1 5 . 1 1 36 36 ASP C C 36 179.136 179.136 178.509 0.627 17613 3114 1 5 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.495 0.173 17613 3115 1 5 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.585 -0.301 17613 3116 1 5 . 1 1 36 36 ASP H H 36 8.388 8.388 8.360 0.028 17613 3117 1 5 . 1 1 37 37 GLU N N 37 122.449 122.449 120.007 2.442 17613 3118 1 5 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.141 -0.082 17613 3119 1 5 . 1 1 37 37 GLU C C 37 178.698 178.698 178.825 -0.127 17613 3120 1 5 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.590 0.619 17613 3121 1 5 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.290 0.431 17613 3122 1 5 . 1 1 37 37 GLU H H 37 9.009 9.009 7.621 1.388 17613 3123 1 5 . 1 1 38 38 LEU N N 38 119.580 119.580 122.540 -2.960 17613 3124 1 5 . 1 1 38 38 LEU HA H 38 3.911 3.911 4.011 -0.100 17613 3125 1 5 . 1 1 38 38 LEU C C 38 177.649 177.649 178.609 -0.960 17613 3126 1 5 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.476 0.657 17613 3127 1 5 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.016 -0.947 17613 3128 1 5 . 1 1 38 38 LEU H H 38 8.203 8.203 7.887 0.316 17613 3129 1 5 . 1 1 39 39 LYS N N 39 118.404 118.404 117.999 0.405 17613 3130 1 5 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.911 -0.070 17613 3131 1 5 . 1 1 39 39 LYS C C 39 179.577 179.577 179.048 0.529 17613 3132 1 5 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.971 -0.105 17613 3133 1 5 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.082 -0.034 17613 3134 1 5 . 1 1 39 39 LYS H H 39 7.829 7.829 8.067 -0.238 17613 3135 1 5 . 1 1 40 40 LYS N N 40 119.271 119.271 119.590 -0.319 17613 3136 1 5 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.024 -0.002 17613 3137 1 5 . 1 1 40 40 LYS C C 40 179.577 179.577 179.178 0.399 17613 3138 1 5 . 1 1 40 40 LYS CA C 40 59.590 59.590 59.264 0.327 17613 3139 1 5 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.344 0.056 17613 3140 1 5 . 1 1 40 40 LYS H H 40 7.779 7.779 7.876 -0.097 17613 3141 1 5 . 1 1 41 41 GLU N N 41 119.647 119.647 119.046 0.601 17613 3142 1 5 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.136 0.127 17613 3143 1 5 . 1 1 41 41 GLU C C 41 179.504 179.504 179.258 0.246 17613 3144 1 5 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.667 -0.593 17613 3145 1 5 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.117 -0.871 17613 3146 1 5 . 1 1 41 41 GLU H H 41 8.721 8.721 7.874 0.847 17613 3147 1 5 . 1 1 42 42 MET N N 42 118.114 118.114 118.591 -0.477 17613 3148 1 5 . 1 1 42 42 MET HA H 42 4.383 4.383 4.308 0.075 17613 3149 1 5 . 1 1 42 42 MET C C 42 179.185 179.185 178.587 0.598 17613 3150 1 5 . 1 1 42 42 MET CA C 42 57.054 57.054 57.098 -0.044 17613 3151 1 5 . 1 1 42 42 MET CB C 42 31.254 31.254 31.644 -0.390 17613 3152 1 5 . 1 1 42 42 MET H H 42 8.779 8.779 7.935 0.844 17613 3153 1 5 . 1 1 43 43 LYS N N 43 120.740 120.740 119.890 0.850 17613 3154 1 5 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.048 0.040 17613 3155 1 5 . 1 1 43 43 LYS C C 43 178.187 178.187 179.251 -1.064 17613 3156 1 5 . 1 1 43 43 LYS CA C 43 59.390 59.390 58.776 0.614 17613 3157 1 5 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.683 0.279 17613 3158 1 5 . 1 1 43 43 LYS H H 43 7.499 7.499 8.073 -0.574 17613 3159 1 5 . 1 1 44 44 LYS N N 44 118.269 118.269 119.746 -1.477 17613 3160 1 5 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.141 -0.080 17613 3161 1 5 . 1 1 44 44 LYS C C 44 179.601 179.601 179.190 0.411 17613 3162 1 5 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.537 0.963 17613 3163 1 5 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.007 0.063 17613 3164 1 5 . 1 1 44 44 LYS H H 44 7.445 7.445 7.533 -0.088 17613 3165 1 5 . 1 1 45 45 LEU N N 45 117.785 117.785 118.146 -0.361 17613 3166 1 5 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.176 -0.028 17613 3167 1 5 . 1 1 45 45 LEU C C 45 178.357 178.357 178.631 -0.274 17613 3168 1 5 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.535 -0.348 17613 3169 1 5 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.923 -0.151 17613 3170 1 5 . 1 1 45 45 LEU H H 45 8.161 8.161 8.103 0.058 17613 3171 1 5 . 1 1 46 46 ALA N N 46 118.538 118.538 119.691 -1.153 17613 3172 1 5 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.196 0.056 17613 3173 1 5 . 1 1 46 46 ALA C C 46 178.893 178.893 178.436 0.457 17613 3174 1 5 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.175 -0.503 17613 3175 1 5 . 1 1 46 46 ALA CB C 46 18.882 18.882 19.086 -0.204 17613 3176 1 5 . 1 1 46 46 ALA H H 46 7.637 7.637 7.490 0.147 17613 3177 1 5 . 1 1 47 47 GLU N N 47 115.492 115.492 117.043 -1.551 17613 3178 1 5 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.259 -0.009 17613 3179 1 5 . 1 1 47 47 GLU C C 47 176.478 176.478 177.855 -1.377 17613 3180 1 5 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.834 -0.903 17613 3181 1 5 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.400 0.017 17613 3182 1 5 . 1 1 47 47 GLU H H 47 7.713 7.713 7.764 -0.051 17613 3183 1 5 . 1 1 48 48 GLU N N 48 120.573 120.573 119.697 0.876 17613 3184 1 5 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.497 -0.124 17613 3185 1 5 . 1 1 48 48 GLU C C 48 173.624 173.624 176.064 -2.440 17613 3186 1 5 . 1 1 48 48 GLU CA C 48 56.021 56.021 54.798 1.223 17613 3187 1 5 . 1 1 48 48 GLU CB C 48 29.910 29.910 28.267 1.643 17613 3188 1 5 . 1 1 48 48 GLU H H 48 7.748 7.748 8.211 -0.463 17613 3189 1 5 . 1 1 49 49 LYS N N 49 124.420 124.420 120.941 3.479 17613 3190 1 5 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.271 0.047 17613 3191 1 5 . 1 1 49 49 LYS C C 49 176.843 176.843 176.065 0.778 17613 3192 1 5 . 1 1 49 49 LYS CA C 49 56.517 56.517 57.081 -0.564 17613 3193 1 5 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.625 -0.163 17613 3194 1 5 . 1 1 49 49 LYS H H 49 8.607 8.607 7.855 0.752 17613 3195 1 5 . 1 1 50 50 ASN N N 50 117.993 117.993 118.534 -0.541 17613 3196 1 5 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.630 -0.006 17613 3197 1 5 . 1 1 50 50 ASN C C 50 176.454 176.454 175.566 0.888 17613 3198 1 5 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.066 0.489 17613 3199 1 5 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.916 0.120 17613 3200 1 5 . 1 1 50 50 ASN H H 50 8.723 8.723 7.781 0.942 17613 3201 1 5 . 1 1 51 51 PHE N N 51 120.700 120.700 116.038 4.662 17613 3202 1 5 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.532 0.226 17613 3203 1 5 . 1 1 51 51 PHE CA C 51 57.935 57.935 56.514 1.421 17613 3204 1 5 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.364 0.611 17613 3205 1 5 . 1 1 51 51 PHE H H 51 8.341 8.341 8.079 0.262 17613 3206 1 5 . 1 1 52 52 GLU HA H 52 4.258 4.258 3.994 0.264 17613 3207 1 5 . 1 1 52 52 GLU C C 52 173.600 173.600 176.609 -3.009 17613 3208 1 5 . 1 1 52 52 GLU CA C 52 56.254 56.254 56.472 -0.218 17613 3209 1 5 . 1 1 52 52 GLU CB C 52 33.459 33.459 29.170 4.289 17613 3210 1 5 . 1 1 53 53 LYS N N 53 119.964 119.964 125.034 -5.070 17613 3211 1 5 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.319 0.370 17613 3212 1 5 . 1 1 53 53 LYS C C 53 174.430 174.430 175.907 -1.477 17613 3213 1 5 . 1 1 53 53 LYS CA C 53 55.356 55.356 56.660 -1.304 17613 3214 1 5 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.565 -0.120 17613 3215 1 5 . 1 1 53 53 LYS H H 53 7.962 7.962 8.565 -0.603 17613 3216 1 5 . 1 1 54 54 ILE N N 54 124.730 124.730 124.030 0.700 17613 3217 1 5 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.665 0.181 17613 3218 1 5 . 1 1 54 54 ILE C C 54 173.089 173.089 174.439 -1.350 17613 3219 1 5 . 1 1 54 54 ILE CA C 54 59.264 59.264 59.975 -0.711 17613 3220 1 5 . 1 1 54 54 ILE CB C 54 41.953 41.953 41.358 0.595 17613 3221 1 5 . 1 1 54 54 ILE H H 54 8.804 8.804 8.116 0.688 17613 3222 1 5 . 1 1 55 55 LEU N N 55 130.086 130.086 127.543 2.543 17613 3223 1 5 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.113 0.528 17613 3224 1 5 . 1 1 55 55 LEU C C 55 174.430 174.430 174.660 -0.230 17613 3225 1 5 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.552 -0.050 17613 3226 1 5 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.887 -0.685 17613 3227 1 5 . 1 1 55 55 LEU H H 55 9.103 9.103 8.493 0.610 17613 3228 1 5 . 1 1 56 56 ILE N N 56 125.983 125.983 126.078 -0.095 17613 3229 1 5 . 1 1 56 56 ILE HA H 56 5.057 5.057 5.064 -0.007 17613 3230 1 5 . 1 1 56 56 ILE C C 56 174.089 174.089 175.335 -1.246 17613 3231 1 5 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.463 0.647 17613 3232 1 5 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.620 1.203 17613 3233 1 5 . 1 1 56 56 ILE H H 56 9.182 9.182 8.719 0.463 17613 3234 1 5 . 1 1 57 57 ILE N N 57 127.241 127.241 128.176 -0.935 17613 3235 1 5 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.177 -0.265 17613 3236 1 5 . 1 1 57 57 ILE C C 57 174.869 174.869 175.386 -0.517 17613 3237 1 5 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.151 -0.896 17613 3238 1 5 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.185 -1.234 17613 3239 1 5 . 1 1 57 57 ILE H H 57 8.541 8.541 8.658 -0.117 17613 3240 1 5 . 1 1 58 58 SER N N 58 119.270 119.270 118.225 1.045 17613 3241 1 5 . 1 1 58 58 SER HA H 58 5.007 5.007 5.308 -0.301 17613 3242 1 5 . 1 1 58 58 SER C C 58 174.211 174.211 173.296 0.915 17613 3243 1 5 . 1 1 58 58 SER CA C 58 56.727 56.727 56.138 0.590 17613 3244 1 5 . 1 1 58 58 SER CB C 58 66.615 66.615 66.265 0.350 17613 3245 1 5 . 1 1 58 58 SER H H 58 8.810 8.810 8.872 -0.062 17613 3246 1 5 . 1 1 59 59 ASN N N 59 122.382 122.382 120.105 2.277 17613 3247 1 5 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.434 -0.723 17613 3248 1 5 . 1 1 59 59 ASN C C 59 174.795 174.795 174.192 0.603 17613 3249 1 5 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.246 -0.739 17613 3250 1 5 . 1 1 59 59 ASN CB C 59 38.962 38.962 41.048 -2.086 17613 3251 1 5 . 1 1 59 59 ASN H H 59 8.794 8.794 8.730 0.064 17613 3252 1 5 . 1 1 60 60 ASP N N 60 119.744 119.744 119.266 0.478 17613 3253 1 5 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.853 0.010 17613 3254 1 5 . 1 1 60 60 ASP C C 60 176.015 176.015 176.209 -0.194 17613 3255 1 5 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.673 0.424 17613 3256 1 5 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.991 -0.042 17613 3257 1 5 . 1 1 60 60 ASP H H 60 7.857 7.857 7.743 0.114 17613 3258 1 5 . 1 1 61 61 LYS N N 61 125.818 125.818 124.946 0.872 17613 3259 1 5 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.126 -0.404 17613 3260 1 5 . 1 1 61 61 LYS C C 61 177.673 177.673 178.291 -0.618 17613 3261 1 5 . 1 1 61 61 LYS CA C 61 59.632 59.632 58.698 0.934 17613 3262 1 5 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.241 -0.723 17613 3263 1 5 . 1 1 61 61 LYS H H 61 8.904 8.904 8.674 0.230 17613 3264 1 5 . 1 1 62 62 GLN N N 62 118.918 118.918 120.203 -1.285 17613 3265 1 5 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.137 -0.032 17613 3266 1 5 . 1 1 62 62 GLN C C 62 178.747 178.747 177.696 1.051 17613 3267 1 5 . 1 1 62 62 GLN CA C 62 58.301 58.301 59.186 -0.885 17613 3268 1 5 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.574 -1.126 17613 3269 1 5 . 1 1 62 62 GLN H H 62 8.434 8.434 7.719 0.715 17613 3270 1 5 . 1 1 63 63 LEU N N 63 120.071 120.071 120.190 -0.119 17613 3271 1 5 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.043 0.091 17613 3272 1 5 . 1 1 63 63 LEU C C 63 178.552 178.552 179.165 -0.613 17613 3273 1 5 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.585 -0.942 17613 3274 1 5 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.851 -0.957 17613 3275 1 5 . 1 1 63 63 LEU H H 63 7.671 7.671 8.234 -0.563 17613 3276 1 5 . 1 1 64 64 LEU N N 64 117.705 117.705 120.143 -2.438 17613 3277 1 5 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.942 -0.035 17613 3278 1 5 . 1 1 64 64 LEU C C 64 172.526 172.526 178.278 -5.752 17613 3279 1 5 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.340 -0.562 17613 3280 1 5 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.799 -0.449 17613 3281 1 5 . 1 1 64 64 LEU H H 64 7.626 7.626 7.840 -0.214 17613 3282 1 5 . 1 1 65 65 LYS N N 65 118.311 118.311 119.728 -1.417 17613 3283 1 5 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.912 -0.118 17613 3284 1 5 . 1 1 65 65 LYS C C 65 178.479 178.479 178.866 -0.387 17613 3285 1 5 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.138 0.088 17613 3286 1 5 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.231 0.035 17613 3287 1 5 . 1 1 65 65 LYS H H 65 8.038 8.038 7.839 0.199 17613 3288 1 5 . 1 1 66 66 GLU N N 66 119.362 119.362 118.189 1.173 17613 3289 1 5 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.017 0.009 17613 3290 1 5 . 1 1 66 66 GLU C C 66 178.893 178.893 179.027 -0.134 17613 3291 1 5 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.970 0.149 17613 3292 1 5 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.225 0.037 17613 3293 1 5 . 1 1 66 66 GLU H H 66 7.803 7.803 8.007 -0.204 17613 3294 1 5 . 1 1 67 67 MET N N 67 118.398 118.398 120.435 -2.037 17613 3295 1 5 . 1 1 67 67 MET HA H 67 3.948 3.948 4.072 -0.124 17613 3296 1 5 . 1 1 67 67 MET C C 67 177.527 177.527 178.025 -0.498 17613 3297 1 5 . 1 1 67 67 MET CA C 67 59.963 59.963 58.572 1.391 17613 3298 1 5 . 1 1 67 67 MET CB C 67 33.443 33.443 32.421 1.022 17613 3299 1 5 . 1 1 67 67 MET H H 67 8.394 8.394 7.979 0.415 17613 3300 1 5 . 1 1 68 68 LEU N N 68 118.269 118.269 117.285 0.984 17613 3301 1 5 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.798 -0.019 17613 3302 1 5 . 1 1 68 68 LEU C C 68 178.869 178.869 179.241 -0.372 17613 3303 1 5 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.405 0.536 17613 3304 1 5 . 1 1 68 68 LEU CB C 68 40.875 40.875 40.919 -0.044 17613 3305 1 5 . 1 1 68 68 LEU H H 68 8.471 8.471 8.026 0.445 17613 3306 1 5 . 1 1 69 69 GLU N N 69 118.681 118.681 119.989 -1.308 17613 3307 1 5 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.162 -0.107 17613 3308 1 5 . 1 1 69 69 GLU C C 69 179.063 179.063 179.483 -0.420 17613 3309 1 5 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.358 0.066 17613 3310 1 5 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.657 -0.517 17613 3311 1 5 . 1 1 69 69 GLU H H 69 7.627 7.627 8.085 -0.458 17613 3312 1 5 . 1 1 70 70 LEU N N 70 119.503 119.503 120.657 -1.154 17613 3313 1 5 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.070 0.091 17613 3314 1 5 . 1 1 70 70 LEU C C 70 179.699 179.699 179.057 0.642 17613 3315 1 5 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.826 -0.052 17613 3316 1 5 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.157 -0.214 17613 3317 1 5 . 1 1 70 70 LEU H H 70 7.717 7.717 7.915 -0.198 17613 3318 1 5 . 1 1 71 71 ILE N N 71 116.791 116.791 118.595 -1.804 17613 3319 1 5 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.684 0.053 17613 3320 1 5 . 1 1 71 71 ILE C C 71 178.357 178.357 178.017 0.340 17613 3321 1 5 . 1 1 71 71 ILE CA C 71 64.242 64.242 64.887 -0.645 17613 3322 1 5 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.614 0.287 17613 3323 1 5 . 1 1 71 71 ILE H H 71 8.598 8.598 8.429 0.169 17613 3324 1 5 . 1 1 72 72 SER N N 72 116.517 116.517 115.847 0.670 17613 3325 1 5 . 1 1 72 72 SER HA H 72 4.365 4.365 4.280 0.085 17613 3326 1 5 . 1 1 72 72 SER C C 72 176.845 176.845 175.824 1.021 17613 3327 1 5 . 1 1 72 72 SER CA C 72 61.365 61.365 61.097 0.268 17613 3328 1 5 . 1 1 72 72 SER CB C 72 62.780 62.780 63.118 -0.338 17613 3329 1 5 . 1 1 72 72 SER H H 72 8.023 8.023 7.930 0.093 17613 3330 1 5 . 1 1 73 73 LYS N N 73 120.731 120.731 119.652 1.079 17613 3331 1 5 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.101 0.190 17613 3332 1 5 . 1 1 73 73 LYS C C 73 177.771 177.771 178.587 -0.816 17613 3333 1 5 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.801 -0.325 17613 3334 1 5 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.376 -0.230 17613 3335 1 5 . 1 1 73 73 LYS H H 73 7.723 7.723 7.524 0.200 17613 3336 1 5 . 1 1 74 74 LEU N N 74 117.572 117.572 117.543 0.029 17613 3337 1 5 . 1 1 74 74 LEU HA H 74 4.227 4.227 3.912 0.315 17613 3338 1 5 . 1 1 74 74 LEU C C 74 177.332 177.332 177.563 -0.231 17613 3339 1 5 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.486 -0.287 17613 3340 1 5 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.077 -0.591 17613 3341 1 5 . 1 1 74 74 LEU H H 74 7.609 7.609 7.367 0.242 17613 3342 1 5 . 1 1 75 75 GLY N N 75 105.991 105.991 105.084 0.907 17613 3343 1 5 . 1 1 75 75 GLY C C 75 174.771 174.771 174.536 0.235 17613 3344 1 5 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.172 0.670 17613 3345 1 5 . 1 1 75 75 GLY H H 75 7.925 7.925 7.854 0.071 17613 3346 1 5 . 1 1 76 76 TYR N N 76 118.452 118.452 118.423 0.029 17613 3347 1 5 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.578 0.200 17613 3348 1 5 . 1 1 76 76 TYR C C 76 175.234 175.234 175.816 -0.582 17613 3349 1 5 . 1 1 76 76 TYR CA C 76 55.504 55.504 55.646 -0.142 17613 3350 1 5 . 1 1 76 76 TYR CB C 76 37.962 37.962 39.394 -1.432 17613 3351 1 5 . 1 1 76 76 TYR H H 76 7.366 7.366 7.408 -0.042 17613 3352 1 5 . 1 1 77 77 LYS N N 77 122.866 122.866 123.943 -1.077 17613 3353 1 5 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.353 0.195 17613 3354 1 5 . 1 1 77 77 LYS C C 77 174.138 174.138 175.112 -0.974 17613 3355 1 5 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.518 -0.448 17613 3356 1 5 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.157 0.060 17613 3357 1 5 . 1 1 77 77 LYS H H 77 8.290 8.290 8.446 -0.156 17613 3358 1 5 . 1 1 78 78 VAL N N 78 124.071 124.071 126.061 -1.990 17613 3359 1 5 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.189 -0.023 17613 3360 1 5 . 1 1 78 78 VAL C C 78 174.162 174.162 174.932 -0.770 17613 3361 1 5 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.671 -0.442 17613 3362 1 5 . 1 1 78 78 VAL CB C 78 34.355 34.355 34.101 0.254 17613 3363 1 5 . 1 1 78 78 VAL H H 78 7.830 7.830 8.146 -0.316 17613 3364 1 5 . 1 1 79 79 PHE N N 79 126.174 126.174 124.888 1.286 17613 3365 1 5 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.638 -0.071 17613 3366 1 5 . 1 1 79 79 PHE C C 79 173.357 173.357 174.089 -0.732 17613 3367 1 5 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.742 -0.789 17613 3368 1 5 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.040 0.144 17613 3369 1 5 . 1 1 79 79 PHE H H 79 8.374 8.374 8.610 -0.236 17613 3370 1 5 . 1 1 80 80 LEU N N 80 123.959 123.959 125.842 -1.883 17613 3371 1 5 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.131 0.415 17613 3372 1 5 . 1 1 80 80 LEU C C 80 173.503 173.503 174.764 -1.261 17613 3373 1 5 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.269 0.729 17613 3374 1 5 . 1 1 80 80 LEU CB C 80 45.667 45.667 44.942 0.725 17613 3375 1 5 . 1 1 80 80 LEU H H 80 8.601 8.601 8.870 -0.269 17613 3376 1 5 . 1 1 81 81 LEU N N 81 126.694 126.694 127.655 -0.961 17613 3377 1 5 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.396 -0.128 17613 3378 1 5 . 1 1 81 81 LEU C C 81 173.649 173.649 174.630 -0.981 17613 3379 1 5 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.317 -0.253 17613 3380 1 5 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.892 -0.114 17613 3381 1 5 . 1 1 81 81 LEU H H 81 9.063 9.063 8.696 0.367 17613 3382 1 5 . 1 1 82 82 LEU N N 82 124.888 124.888 127.446 -2.558 17613 3383 1 5 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.762 0.149 17613 3384 1 5 . 1 1 82 82 LEU C C 82 174.479 174.479 174.592 -0.113 17613 3385 1 5 . 1 1 82 82 LEU CA C 82 53.135 53.135 54.000 -0.865 17613 3386 1 5 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.438 0.784 17613 3387 1 5 . 1 1 82 82 LEU H H 82 8.864 8.864 9.144 -0.280 17613 3388 1 5 . 1 1 83 83 GLN N N 83 122.153 122.153 125.406 -3.253 17613 3389 1 5 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.218 0.042 17613 3390 1 5 . 1 1 83 83 GLN C C 83 174.333 174.333 174.178 0.155 17613 3391 1 5 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.135 0.451 17613 3392 1 5 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.687 -0.817 17613 3393 1 5 . 1 1 83 83 GLN H H 83 8.437 8.437 8.787 -0.350 17613 3394 1 5 . 1 1 84 84 ASP N N 84 124.451 124.451 126.685 -2.234 17613 3395 1 5 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.965 -0.463 17613 3396 1 5 . 1 1 84 84 ASP C C 84 174.308 174.308 175.272 -0.964 17613 3397 1 5 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.898 0.117 17613 3398 1 5 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.856 -1.085 17613 3399 1 5 . 1 1 84 84 ASP H H 84 8.205 8.205 7.972 0.233 17613 3400 1 5 . 1 1 85 85 GLN N N 85 120.202 120.202 121.351 -1.149 17613 3401 1 5 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.188 0.146 17613 3402 1 5 . 1 1 85 85 GLN C C 85 175.431 175.431 175.897 -0.466 17613 3403 1 5 . 1 1 85 85 GLN CA C 85 56.595 56.595 58.084 -1.489 17613 3404 1 5 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.394 -0.060 17613 3405 1 5 . 1 1 85 85 GLN H H 85 8.617 8.617 8.619 -0.002 17613 3406 1 5 . 1 1 86 86 ASP N N 86 120.508 120.508 120.939 -0.431 17613 3407 1 5 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.622 0.063 17613 3408 1 5 . 1 1 86 86 ASP C C 86 175.747 175.747 176.306 -0.559 17613 3409 1 5 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.370 -0.858 17613 3410 1 5 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.042 0.915 17613 3411 1 5 . 1 1 86 86 ASP H H 86 8.691 8.691 8.481 0.210 17613 3412 1 5 . 1 1 87 87 GLU N N 87 123.604 123.604 122.029 1.575 17613 3413 1 5 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.016 0.019 17613 3414 1 5 . 1 1 87 87 GLU C C 87 177.771 177.771 177.523 0.248 17613 3415 1 5 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.197 -0.675 17613 3416 1 5 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.736 -0.161 17613 3417 1 5 . 1 1 87 87 GLU H H 87 8.642 8.642 7.988 0.654 17613 3418 1 5 . 1 1 88 88 ASN N N 88 118.838 118.838 117.645 1.193 17613 3419 1 5 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.465 0.096 17613 3420 1 5 . 1 1 88 88 ASN C C 88 177.089 177.089 177.350 -0.261 17613 3421 1 5 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.443 -0.801 17613 3422 1 5 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.532 0.634 17613 3423 1 5 . 1 1 88 88 ASN H H 88 8.527 8.527 8.623 -0.096 17613 3424 1 5 . 1 1 89 89 GLU N N 89 120.947 120.947 119.881 1.066 17613 3425 1 5 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.184 -0.037 17613 3426 1 5 . 1 1 89 89 GLU C C 89 178.357 178.357 178.966 -0.609 17613 3427 1 5 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.412 -0.161 17613 3428 1 5 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.195 0.049 17613 3429 1 5 . 1 1 89 89 GLU H H 89 8.221 8.221 7.763 0.458 17613 3430 1 5 . 1 1 90 90 LEU N N 90 119.582 119.582 121.167 -1.585 17613 3431 1 5 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.213 -0.008 17613 3432 1 5 . 1 1 90 90 LEU C C 90 177.917 177.917 178.475 -0.558 17613 3433 1 5 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.885 -0.941 17613 3434 1 5 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.709 0.747 17613 3435 1 5 . 1 1 90 90 LEU H H 90 8.047 8.047 8.400 -0.353 17613 3436 1 5 . 1 1 91 91 GLU N N 91 119.029 119.029 119.572 -0.543 17613 3437 1 5 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.031 0.042 17613 3438 1 5 . 1 1 91 91 GLU C C 91 178.284 178.284 178.741 -0.457 17613 3439 1 5 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.469 -0.340 17613 3440 1 5 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.051 -0.081 17613 3441 1 5 . 1 1 91 91 GLU H H 91 7.940 7.940 7.947 -0.007 17613 3442 1 5 . 1 1 92 92 GLU N N 92 118.667 118.667 119.049 -0.382 17613 3443 1 5 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.127 -0.095 17613 3444 1 5 . 1 1 92 92 GLU C C 92 178.103 178.103 179.321 -1.218 17613 3445 1 5 . 1 1 92 92 GLU CA C 92 59.252 59.252 58.775 0.477 17613 3446 1 5 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.351 -0.419 17613 3447 1 5 . 1 1 92 92 GLU H H 92 8.088 8.088 7.670 0.418 17613 3448 1 5 . 1 1 93 93 PHE N N 93 120.118 120.118 120.495 -0.377 17613 3449 1 5 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.285 0.055 17613 3450 1 5 . 1 1 93 93 PHE C C 93 176.894 176.894 177.185 -0.291 17613 3451 1 5 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.107 0.338 17613 3452 1 5 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.484 -0.497 17613 3453 1 5 . 1 1 93 93 PHE H H 93 8.103 8.103 8.374 -0.271 17613 3454 1 5 . 1 1 94 94 LYS N N 94 118.941 118.941 120.244 -1.303 17613 3455 1 5 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.839 -0.222 17613 3456 1 5 . 1 1 94 94 LYS C C 94 177.600 177.600 178.687 -1.087 17613 3457 1 5 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.960 0.116 17613 3458 1 5 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.512 -0.047 17613 3459 1 5 . 1 1 94 94 LYS H H 94 8.606 8.606 8.267 0.339 17613 3460 1 5 . 1 1 95 95 ARG N N 95 117.194 117.194 116.470 0.724 17613 3461 1 5 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.069 0.081 17613 3462 1 5 . 1 1 95 95 ARG C C 95 179.404 179.404 178.808 0.596 17613 3463 1 5 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.992 0.111 17613 3464 1 5 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.746 0.073 17613 3465 1 5 . 1 1 95 95 ARG H H 95 8.159 8.159 7.959 0.200 17613 3466 1 5 . 1 1 96 96 LYS N N 96 119.582 119.582 119.757 -0.175 17613 3467 1 5 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.129 -0.064 17613 3468 1 5 . 1 1 96 96 LYS C C 96 179.034 179.034 178.664 0.370 17613 3469 1 5 . 1 1 96 96 LYS CA C 96 58.934 58.934 58.631 0.303 17613 3470 1 5 . 1 1 96 96 LYS CB C 96 32.069 32.069 31.960 0.109 17613 3471 1 5 . 1 1 96 96 LYS H H 96 7.786 7.786 7.600 0.186 17613 3472 1 5 . 1 1 97 97 ILE N N 97 118.550 118.550 118.922 -0.372 17613 3473 1 5 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.877 0.061 17613 3474 1 5 . 1 1 97 97 ILE C C 97 178.284 178.284 177.057 1.227 17613 3475 1 5 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.618 -1.049 17613 3476 1 5 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.950 -0.744 17613 3477 1 5 . 1 1 97 97 ILE H H 97 7.831 7.831 7.292 0.539 17613 3478 1 5 . 1 1 98 98 GLU N N 98 121.984 121.984 121.646 0.338 17613 3479 1 5 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.237 0.099 17613 3480 1 5 . 1 1 98 98 GLU C C 98 180.040 180.040 179.429 0.611 17613 3481 1 5 . 1 1 98 98 GLU CA C 98 58.950 58.950 59.260 -0.310 17613 3482 1 5 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.538 -0.103 17613 3483 1 5 . 1 1 98 98 GLU H H 98 8.670 8.670 8.382 0.288 17613 3484 1 5 . 1 1 99 99 SER N N 99 115.499 115.499 115.523 -0.024 17613 3485 1 5 . 1 1 99 99 SER HA H 99 4.343 4.343 4.280 0.063 17613 3486 1 5 . 1 1 99 99 SER C C 99 174.820 174.820 175.853 -1.033 17613 3487 1 5 . 1 1 99 99 SER CA C 99 60.410 60.410 60.759 -0.349 17613 3488 1 5 . 1 1 99 99 SER CB C 99 62.680 62.680 62.894 -0.214 17613 3489 1 5 . 1 1 99 99 SER H H 99 8.099 8.099 7.661 0.438 17613 3490 1 5 . 1 1 100 100 GLN N N 100 119.301 119.301 117.911 1.390 17613 3491 1 5 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.310 0.000 17613 3492 1 5 . 1 1 100 100 GLN C C 100 175.857 175.857 176.296 -0.439 17613 3493 1 5 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.348 0.578 17613 3494 1 5 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.932 0.280 17613 3495 1 5 . 1 1 100 100 GLN H H 100 7.623 7.623 7.705 -0.082 17613 3496 1 5 . 1 1 101 101 GLY N N 101 105.765 105.765 106.177 -0.412 17613 3497 1 5 . 1 1 101 101 GLY C C 101 173.748 173.748 174.475 -0.727 17613 3498 1 5 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.240 -0.037 17613 3499 1 5 . 1 1 101 101 GLY H H 101 7.945 7.945 7.463 0.482 17613 3500 1 5 . 1 1 102 102 TYR N N 102 117.993 117.993 119.065 -1.072 17613 3501 1 5 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.307 0.365 17613 3502 1 5 . 1 1 102 102 TYR C C 102 174.747 174.747 175.674 -0.927 17613 3503 1 5 . 1 1 102 102 TYR CA C 102 56.254 56.254 58.130 -1.876 17613 3504 1 5 . 1 1 102 102 TYR CB C 102 39.048 39.048 39.033 0.015 17613 3505 1 5 . 1 1 102 102 TYR H H 102 6.890 6.890 7.372 -0.482 17613 3506 1 5 . 1 1 103 103 GLU N N 103 122.864 122.864 124.066 -1.202 17613 3507 1 5 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.380 0.127 17613 3508 1 5 . 1 1 103 103 GLU C C 103 174.162 174.162 175.184 -1.022 17613 3509 1 5 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.987 0.397 17613 3510 1 5 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.839 1.532 17613 3511 1 5 . 1 1 103 103 GLU H H 103 8.318 8.318 8.758 -0.440 17613 3512 1 5 . 1 1 104 104 VAL N N 104 124.342 124.342 126.406 -2.064 17613 3513 1 5 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.417 0.811 17613 3514 1 5 . 1 1 104 104 VAL C C 104 174.235 174.235 175.592 -1.357 17613 3515 1 5 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.544 -2.264 17613 3516 1 5 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.598 1.569 17613 3517 1 5 . 1 1 104 104 VAL H H 104 8.651 8.651 8.017 0.634 17613 3518 1 5 . 1 1 105 105 ARG N N 105 124.856 124.856 128.460 -3.604 17613 3519 1 5 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.851 0.064 17613 3520 1 5 . 1 1 105 105 ARG C C 105 173.917 173.917 175.295 -1.378 17613 3521 1 5 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.317 -0.852 17613 3522 1 5 . 1 1 105 105 ARG CB C 105 32.955 32.955 32.905 0.050 17613 3523 1 5 . 1 1 105 105 ARG H H 105 8.705 8.705 8.824 -0.119 17613 3524 1 5 . 1 1 106 106 LYS N N 106 121.499 121.499 122.974 -1.475 17613 3525 1 5 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.390 0.188 17613 3526 1 5 . 1 1 106 106 LYS C C 106 174.820 174.820 175.604 -0.784 17613 3527 1 5 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.252 -1.384 17613 3528 1 5 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.620 0.679 17613 3529 1 5 . 1 1 106 106 LYS H H 106 8.807 8.807 8.558 0.249 17613 3530 1 5 . 1 1 107 107 VAL N N 107 118.792 118.792 119.589 -0.797 17613 3531 1 5 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.379 0.236 17613 3532 1 5 . 1 1 107 107 VAL C C 107 173.332 173.332 174.443 -1.111 17613 3533 1 5 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.850 -0.628 17613 3534 1 5 . 1 1 107 107 VAL CB C 107 35.234 35.234 36.205 -0.971 17613 3535 1 5 . 1 1 107 107 VAL H H 107 8.555 8.555 8.232 0.323 17613 3536 1 5 . 1 1 108 108 THR N N 108 114.072 114.072 114.927 -0.855 17613 3537 1 5 . 1 1 108 108 THR HA H 108 4.781 4.781 4.487 0.294 17613 3538 1 5 . 1 1 108 108 THR C C 108 174.625 174.625 173.939 0.686 17613 3539 1 5 . 1 1 108 108 THR CA C 108 62.221 62.221 62.253 -0.032 17613 3540 1 5 . 1 1 108 108 THR CB C 108 69.975 69.975 69.912 0.063 17613 3541 1 5 . 1 1 108 108 THR H H 108 8.604 8.604 8.455 0.149 17613 3542 1 5 . 1 1 109 109 ASP N N 109 122.574 122.574 123.511 -0.937 17613 3543 1 5 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.801 -0.063 17613 3544 1 5 . 1 1 109 109 ASP C C 109 175.796 175.796 177.005 -1.209 17613 3545 1 5 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.440 -0.591 17613 3546 1 5 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.864 0.824 17613 3547 1 5 . 1 1 109 109 ASP H H 109 8.036 8.036 7.711 0.325 17613 3548 1 5 . 1 1 110 110 ASP N N 110 122.852 122.852 124.058 -1.206 17613 3549 1 5 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.272 -0.177 17613 3550 1 5 . 1 1 110 110 ASP C C 110 177.527 177.527 177.471 0.056 17613 3551 1 5 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.499 -0.112 17613 3552 1 5 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.626 -0.325 17613 3553 1 5 . 1 1 110 110 ASP H H 110 8.696 8.696 8.765 -0.069 17613 3554 1 5 . 1 1 111 111 GLU N N 111 119.144 119.144 117.838 1.306 17613 3555 1 5 . 1 1 111 111 GLU HA H 111 3.988 3.988 3.996 -0.008 17613 3556 1 5 . 1 1 111 111 GLU C C 111 179.942 179.942 178.677 1.265 17613 3557 1 5 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.124 0.232 17613 3558 1 5 . 1 1 111 111 GLU CB C 111 28.496 28.496 28.968 -0.472 17613 3559 1 5 . 1 1 111 111 GLU H H 111 8.213 8.213 8.570 -0.357 17613 3560 1 5 . 1 1 112 112 GLU N N 112 121.400 121.400 120.852 0.548 17613 3561 1 5 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.127 -0.130 17613 3562 1 5 . 1 1 112 112 GLU C C 112 178.430 178.430 177.810 0.620 17613 3563 1 5 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.001 0.748 17613 3564 1 5 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.949 0.245 17613 3565 1 5 . 1 1 112 112 GLU H H 112 8.234 8.234 8.164 0.070 17613 3566 1 5 . 1 1 113 113 ALA N N 113 120.316 120.316 122.594 -2.278 17613 3567 1 5 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.099 -0.299 17613 3568 1 5 . 1 1 113 113 ALA C C 113 178.430 178.430 179.831 -1.401 17613 3569 1 5 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.070 0.312 17613 3570 1 5 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.178 0.424 17613 3571 1 5 . 1 1 113 113 ALA H H 113 8.118 8.118 7.835 0.283 17613 3572 1 5 . 1 1 114 114 LEU N N 114 116.901 116.901 117.545 -0.644 17613 3573 1 5 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.855 -0.142 17613 3574 1 5 . 1 1 114 114 LEU C C 114 178.431 178.431 179.148 -0.717 17613 3575 1 5 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.583 0.092 17613 3576 1 5 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.450 -0.514 17613 3577 1 5 . 1 1 114 114 LEU H H 114 7.743 7.743 7.813 -0.070 17613 3578 1 5 . 1 1 115 115 LYS N N 115 119.066 119.066 118.311 0.755 17613 3579 1 5 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.002 -0.202 17613 3580 1 5 . 1 1 115 115 LYS C C 115 179.404 179.404 179.058 0.346 17613 3581 1 5 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.281 0.602 17613 3582 1 5 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.114 0.064 17613 3583 1 5 . 1 1 115 115 LYS H H 115 7.617 7.617 7.289 0.328 17613 3584 1 5 . 1 1 116 116 ILE N N 116 120.613 120.613 119.443 1.170 17613 3585 1 5 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.709 -0.249 17613 3586 1 5 . 1 1 116 116 ILE C C 116 177.016 177.016 177.386 -0.370 17613 3587 1 5 . 1 1 116 116 ILE CA C 116 64.122 64.122 61.816 2.305 17613 3588 1 5 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.508 -0.185 17613 3589 1 5 . 1 1 116 116 ILE H H 116 8.004 8.004 7.677 0.327 17613 3590 1 5 . 1 1 117 117 VAL N N 117 120.234 120.234 120.621 -0.387 17613 3591 1 5 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.786 -0.526 17613 3592 1 5 . 1 1 117 117 VAL C C 117 177.746 177.746 177.534 0.212 17613 3593 1 5 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.279 0.226 17613 3594 1 5 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.080 -0.327 17613 3595 1 5 . 1 1 117 117 VAL H H 117 8.121 8.121 8.101 0.020 17613 3596 1 5 . 1 1 118 118 ARG N N 118 118.415 118.415 119.398 -0.983 17613 3597 1 5 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.919 -0.026 17613 3598 1 5 . 1 1 118 118 ARG C C 118 178.966 178.966 178.028 0.938 17613 3599 1 5 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.533 0.636 17613 3600 1 5 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.545 0.157 17613 3601 1 5 . 1 1 118 118 ARG H H 118 8.026 8.026 8.069 -0.043 17613 3602 1 5 . 1 1 119 119 GLU N N 119 122.419 122.419 120.317 2.102 17613 3603 1 5 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.032 -0.005 17613 3604 1 5 . 1 1 119 119 GLU C C 119 179.429 179.429 178.874 0.555 17613 3605 1 5 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.584 0.946 17613 3606 1 5 . 1 1 119 119 GLU CB C 119 28.961 28.961 28.696 0.265 17613 3607 1 5 . 1 1 119 119 GLU H H 119 7.918 7.918 7.347 0.571 17613 3608 1 5 . 1 1 120 120 PHE N N 120 119.597 119.597 119.366 0.231 17613 3609 1 5 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.803 0.219 17613 3610 1 5 . 1 1 120 120 PHE C C 120 177.698 177.698 178.038 -0.340 17613 3611 1 5 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.617 -3.749 17613 3612 1 5 . 1 1 120 120 PHE CB C 120 36.753 36.753 37.966 -1.213 17613 3613 1 5 . 1 1 120 120 PHE H H 120 8.826 8.826 7.371 1.455 17613 3614 1 5 . 1 1 121 121 MET N N 121 116.596 116.596 117.723 -1.127 17613 3615 1 5 . 1 1 121 121 MET HA H 121 3.931 3.931 4.030 -0.099 17613 3616 1 5 . 1 1 121 121 MET C C 121 179.577 179.577 178.969 0.608 17613 3617 1 5 . 1 1 121 121 MET CA C 121 59.785 59.785 58.907 0.878 17613 3618 1 5 . 1 1 121 121 MET CB C 121 33.643 33.643 32.486 1.157 17613 3619 1 5 . 1 1 121 121 MET H H 121 8.317 8.317 8.154 0.163 17613 3620 1 5 . 1 1 122 122 GLN N N 122 120.565 120.565 120.058 0.507 17613 3621 1 5 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.051 0.084 17613 3622 1 5 . 1 1 122 122 GLN C C 122 178.893 178.893 178.014 0.879 17613 3623 1 5 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.348 -0.603 17613 3624 1 5 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.563 -0.543 17613 3625 1 5 . 1 1 122 122 GLN H H 122 8.054 8.054 8.294 -0.240 17613 3626 1 5 . 1 1 123 123 LYS N N 123 121.605 121.605 118.782 2.823 17613 3627 1 5 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.167 -0.142 17613 3628 1 5 . 1 1 123 123 LYS C C 123 179.307 179.307 179.092 0.215 17613 3629 1 5 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.030 0.213 17613 3630 1 5 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.372 -0.066 17613 3631 1 5 . 1 1 123 123 LYS H H 123 8.400 8.400 8.028 0.372 17613 3632 1 5 . 1 1 124 124 ALA N N 124 121.873 121.873 121.278 0.595 17613 3633 1 5 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.292 -0.148 17613 3634 1 5 . 1 1 124 124 ALA C C 124 179.112 179.112 179.760 -0.648 17613 3635 1 5 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.623 0.029 17613 3636 1 5 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.199 0.735 17613 3637 1 5 . 1 1 124 124 ALA H H 124 8.601 8.601 8.047 0.554 17613 3638 1 5 . 1 1 125 125 GLY N N 125 104.755 104.755 106.294 -1.539 17613 3639 1 5 . 1 1 125 125 GLY C C 125 175.553 175.553 176.534 -0.981 17613 3640 1 5 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.929 -0.638 17613 3641 1 5 . 1 1 125 125 GLY H H 125 7.949 7.949 8.234 -0.285 17613 3642 1 5 . 1 1 126 126 SER N N 126 116.080 116.080 117.943 -1.863 17613 3643 1 5 . 1 1 126 126 SER HA H 126 4.447 4.447 4.520 -0.073 17613 3644 1 5 . 1 1 126 126 SER C C 126 175.504 175.504 176.239 -0.735 17613 3645 1 5 . 1 1 126 126 SER CA C 126 59.965 59.965 61.160 -1.195 17613 3646 1 5 . 1 1 126 126 SER CB C 126 63.460 63.460 63.223 0.237 17613 3647 1 5 . 1 1 126 126 SER H H 126 7.861 7.861 7.611 0.250 17613 3648 1 5 . 1 1 127 127 LEU N N 127 122.372 122.372 120.773 1.599 17613 3649 1 5 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.261 0.021 17613 3650 1 5 . 1 1 127 127 LEU C C 127 177.990 177.990 177.671 0.319 17613 3651 1 5 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.224 -0.007 17613 3652 1 5 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.308 0.765 17613 3653 1 5 . 1 1 127 127 LEU H H 127 7.882 7.882 7.659 0.223 17613 3654 1 5 . 1 1 128 128 GLU N N 128 119.775 119.775 116.810 2.965 17613 3655 1 5 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.072 -0.164 17613 3656 1 5 . 1 1 128 128 GLU CA C 128 57.611 57.611 57.454 0.157 17613 3657 1 5 . 1 1 128 128 GLU CB C 128 29.830 29.830 30.383 -0.553 17613 3658 1 5 . 1 1 128 128 GLU H H 128 8.084 8.084 7.793 0.291 17613 3659 1 5 . 1 1 131 131 HIS N N 131 125.272 125.272 114.644 10.628 17613 3660 1 5 . 1 1 131 131 HIS H H 131 8.059 8.059 8.138 -0.079 17613 3661 1 6 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.173 0.653 17613 3662 1 6 . 1 1 3 3 ILE C C 3 173.405 173.405 175.590 -2.185 17613 3663 1 6 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.883 -1.327 17613 3664 1 6 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.073 1.435 17613 3665 1 6 . 1 1 3 3 ILE H H 3 8.444 8.444 8.266 0.178 17613 3666 1 6 . 1 1 4 4 LEU N N 4 127.785 127.785 128.787 -1.002 17613 3667 1 6 . 1 1 4 4 LEU HA H 4 5.459 5.459 4.883 0.576 17613 3668 1 6 . 1 1 4 4 LEU C C 4 174.832 174.832 176.242 -1.410 17613 3669 1 6 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.629 -0.288 17613 3670 1 6 . 1 1 4 4 LEU CB C 4 45.313 45.313 42.867 2.446 17613 3671 1 6 . 1 1 4 4 LEU H H 4 9.081 9.081 8.469 0.613 17613 3672 1 6 . 1 1 5 5 ILE N N 5 123.010 123.010 125.299 -2.289 17613 3673 1 6 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.456 0.377 17613 3674 1 6 . 1 1 5 5 ILE C C 5 173.357 173.357 175.308 -1.951 17613 3675 1 6 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.522 1.022 17613 3676 1 6 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.276 3.256 17613 3677 1 6 . 1 1 5 5 ILE H H 5 8.765 8.765 8.365 0.400 17613 3678 1 6 . 1 1 6 6 LEU N N 6 129.320 129.320 130.081 -0.761 17613 3679 1 6 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.003 0.343 17613 3680 1 6 . 1 1 6 6 LEU C C 6 174.795 174.795 175.330 -0.535 17613 3681 1 6 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.471 -0.471 17613 3682 1 6 . 1 1 6 6 LEU CB C 6 44.528 44.528 44.034 0.494 17613 3683 1 6 . 1 1 6 6 LEU H H 6 9.235 9.235 8.202 1.033 17613 3684 1 6 . 1 1 7 7 ILE N N 7 120.746 120.746 123.991 -3.245 17613 3685 1 6 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.793 0.388 17613 3686 1 6 . 1 1 7 7 ILE C C 7 173.819 173.819 173.793 0.026 17613 3687 1 6 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.409 -2.194 17613 3688 1 6 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.976 -1.822 17613 3689 1 6 . 1 1 7 7 ILE H H 7 8.931 8.931 8.831 0.100 17613 3690 1 6 . 1 1 8 8 ASN N N 8 125.539 125.539 125.222 0.317 17613 3691 1 6 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.670 0.232 17613 3692 1 6 . 1 1 8 8 ASN C C 8 176.478 176.478 173.760 2.718 17613 3693 1 6 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.776 -0.672 17613 3694 1 6 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.889 0.693 17613 3695 1 6 . 1 1 8 8 ASN H H 8 8.634 8.634 8.853 -0.219 17613 3696 1 6 . 1 1 9 9 THR N N 9 118.493 118.493 119.928 -1.435 17613 3697 1 6 . 1 1 9 9 THR HA H 9 4.739 4.739 4.833 -0.094 17613 3698 1 6 . 1 1 9 9 THR C C 9 170.114 170.114 174.630 -4.516 17613 3699 1 6 . 1 1 9 9 THR CA C 9 60.689 60.689 59.452 1.237 17613 3700 1 6 . 1 1 9 9 THR CB C 9 67.766 67.766 71.284 -3.518 17613 3701 1 6 . 1 1 9 9 THR H H 9 8.044 8.044 8.303 -0.259 17613 3702 1 6 . 1 1 10 10 ASN N N 10 123.266 123.266 123.775 -0.509 17613 3703 1 6 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.793 0.174 17613 3704 1 6 . 1 1 10 10 ASN C C 10 174.601 174.601 174.852 -0.251 17613 3705 1 6 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.343 -2.499 17613 3706 1 6 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.298 0.018 17613 3707 1 6 . 1 1 10 10 ASN H H 10 8.440 8.440 8.540 -0.100 17613 3708 1 6 . 1 1 11 11 ASN N N 11 120.920 120.920 120.032 0.888 17613 3709 1 6 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.888 -0.195 17613 3710 1 6 . 1 1 11 11 ASN C C 11 174.333 174.333 174.951 -0.618 17613 3711 1 6 . 1 1 11 11 ASN CA C 11 52.436 52.436 53.124 -0.688 17613 3712 1 6 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.003 -0.654 17613 3713 1 6 . 1 1 11 11 ASN H H 11 8.366 8.366 7.687 0.679 17613 3714 1 6 . 1 1 12 12 ASP N N 12 126.315 126.315 124.480 1.835 17613 3715 1 6 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.352 -0.079 17613 3716 1 6 . 1 1 12 12 ASP C C 12 178.089 178.089 177.822 0.267 17613 3717 1 6 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.771 -0.163 17613 3718 1 6 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.807 0.354 17613 3719 1 6 . 1 1 12 12 ASP H H 12 8.586 8.586 8.897 -0.311 17613 3720 1 6 . 1 1 13 13 GLU N N 13 119.325 119.325 119.931 -0.606 17613 3721 1 6 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.063 -0.037 17613 3722 1 6 . 1 1 13 13 GLU C C 13 178.893 178.893 178.565 0.328 17613 3723 1 6 . 1 1 13 13 GLU CA C 13 59.006 59.006 58.931 0.075 17613 3724 1 6 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.342 -0.633 17613 3725 1 6 . 1 1 13 13 GLU H H 13 8.289 8.289 8.637 -0.348 17613 3726 1 6 . 1 1 14 14 LEU N N 14 121.683 121.683 118.005 3.678 17613 3727 1 6 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.125 -0.140 17613 3728 1 6 . 1 1 14 14 LEU C C 14 178.309 178.309 178.893 -0.584 17613 3729 1 6 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.922 0.339 17613 3730 1 6 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.832 -0.727 17613 3731 1 6 . 1 1 14 14 LEU H H 14 7.577 7.577 8.326 -0.749 17613 3732 1 6 . 1 1 15 15 ILE N N 15 119.483 119.483 119.000 0.483 17613 3733 1 6 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.574 -0.355 17613 3734 1 6 . 1 1 15 15 ILE C C 15 177.138 177.138 177.527 -0.389 17613 3735 1 6 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.473 1.117 17613 3736 1 6 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.472 -0.048 17613 3737 1 6 . 1 1 15 15 ILE H H 15 8.238 8.238 7.525 0.713 17613 3738 1 6 . 1 1 16 16 LYS N N 16 117.596 117.596 119.113 -1.517 17613 3739 1 6 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.077 -0.234 17613 3740 1 6 . 1 1 16 16 LYS C C 16 179.577 179.577 178.884 0.693 17613 3741 1 6 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.039 1.130 17613 3742 1 6 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.935 0.229 17613 3743 1 6 . 1 1 16 16 LYS H H 16 7.604 7.604 7.758 -0.154 17613 3744 1 6 . 1 1 17 17 LYS N N 17 118.832 118.832 120.242 -1.410 17613 3745 1 6 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.039 -0.047 17613 3746 1 6 . 1 1 17 17 LYS C C 17 179.380 179.380 178.982 0.398 17613 3747 1 6 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.740 0.100 17613 3748 1 6 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.409 0.656 17613 3749 1 6 . 1 1 17 17 LYS H H 17 7.583 7.583 7.771 -0.188 17613 3750 1 6 . 1 1 18 18 ILE N N 18 120.961 120.961 119.808 1.153 17613 3751 1 6 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.651 -0.279 17613 3752 1 6 . 1 1 18 18 ILE C C 18 176.967 176.967 177.740 -0.773 17613 3753 1 6 . 1 1 18 18 ILE CA C 18 65.474 65.474 64.913 0.561 17613 3754 1 6 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.665 -0.109 17613 3755 1 6 . 1 1 18 18 ILE H H 18 8.785 8.785 7.847 0.938 17613 3756 1 6 . 1 1 19 19 LYS N N 19 118.324 118.324 120.214 -1.890 17613 3757 1 6 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.870 -0.190 17613 3758 1 6 . 1 1 19 19 LYS C C 19 177.746 177.746 179.196 -1.450 17613 3759 1 6 . 1 1 19 19 LYS CA C 19 60.853 60.853 60.098 0.755 17613 3760 1 6 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.165 0.161 17613 3761 1 6 . 1 1 19 19 LYS H H 19 8.532 8.532 7.770 0.762 17613 3762 1 6 . 1 1 20 20 LYS N N 20 116.284 116.284 118.179 -1.895 17613 3763 1 6 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.123 -0.036 17613 3764 1 6 . 1 1 20 20 LYS C C 20 178.406 178.406 179.162 -0.756 17613 3765 1 6 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.364 0.175 17613 3766 1 6 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.772 0.209 17613 3767 1 6 . 1 1 20 20 LYS H H 20 7.303 7.303 7.774 -0.471 17613 3768 1 6 . 1 1 21 21 GLU N N 21 118.488 118.488 119.081 -0.593 17613 3769 1 6 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.051 -0.088 17613 3770 1 6 . 1 1 21 21 GLU C C 21 179.088 179.088 179.152 -0.064 17613 3771 1 6 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.258 -0.364 17613 3772 1 6 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.558 -0.124 17613 3773 1 6 . 1 1 21 21 GLU H H 21 7.665 7.665 7.867 -0.202 17613 3774 1 6 . 1 1 22 22 VAL N N 22 109.032 109.032 112.525 -3.493 17613 3775 1 6 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.222 -0.090 17613 3776 1 6 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.873 -1.073 17613 3777 1 6 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.326 -2.497 17613 3778 1 6 . 1 1 22 22 VAL H H 22 8.037 8.037 7.973 0.064 17613 3779 1 6 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.570 0.147 17613 3780 1 6 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.506 3.302 17613 3781 1 6 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.107 0.064 17613 3782 1 6 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.555 0.091 17613 3783 1 6 . 1 1 25 25 GLN C C 25 175.692 175.692 176.509 -0.817 17613 3784 1 6 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.093 -0.075 17613 3785 1 6 . 1 1 26 26 GLY N N 26 106.368 106.368 107.113 -0.745 17613 3786 1 6 . 1 1 26 26 GLY C C 26 174.382 174.382 174.355 0.027 17613 3787 1 6 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.628 0.329 17613 3788 1 6 . 1 1 26 26 GLY H H 26 8.020 8.020 7.616 0.404 17613 3789 1 6 . 1 1 27 27 TYR N N 27 119.082 119.082 119.319 -0.237 17613 3790 1 6 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.726 -0.293 17613 3791 1 6 . 1 1 27 27 TYR C C 27 174.528 174.528 175.423 -0.895 17613 3792 1 6 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.686 0.368 17613 3793 1 6 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.454 -0.449 17613 3794 1 6 . 1 1 27 27 TYR H H 27 7.845 7.845 8.258 -0.413 17613 3795 1 6 . 1 1 28 28 GLN N N 28 120.362 120.362 123.414 -3.052 17613 3796 1 6 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.504 -0.005 17613 3797 1 6 . 1 1 28 28 GLN C C 28 174.625 174.625 175.169 -0.544 17613 3798 1 6 . 1 1 28 28 GLN CA C 28 54.380 54.380 54.415 -0.035 17613 3799 1 6 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.865 1.590 17613 3800 1 6 . 1 1 28 28 GLN H H 28 8.338 8.338 8.257 0.081 17613 3801 1 6 . 1 1 29 29 VAL N N 29 123.482 123.482 123.891 -0.409 17613 3802 1 6 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.689 0.354 17613 3803 1 6 . 1 1 29 29 VAL C C 29 175.820 175.820 176.449 -0.629 17613 3804 1 6 . 1 1 29 29 VAL CA C 29 61.488 61.488 61.630 -0.142 17613 3805 1 6 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.428 0.045 17613 3806 1 6 . 1 1 29 29 VAL H H 29 8.776 8.776 8.463 0.313 17613 3807 1 6 . 1 1 30 30 ARG N N 30 127.787 127.787 126.046 1.741 17613 3808 1 6 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.732 0.008 17613 3809 1 6 . 1 1 30 30 ARG C C 30 173.332 173.332 174.330 -0.998 17613 3810 1 6 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.112 0.676 17613 3811 1 6 . 1 1 30 30 ARG CB C 30 32.391 32.391 33.094 -0.703 17613 3812 1 6 . 1 1 30 30 ARG H H 30 9.135 9.135 9.102 0.033 17613 3813 1 6 . 1 1 31 31 ASP N N 31 121.895 121.895 122.017 -0.122 17613 3814 1 6 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.519 -0.309 17613 3815 1 6 . 1 1 31 31 ASP C C 31 175.282 175.282 175.111 0.171 17613 3816 1 6 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.648 0.722 17613 3817 1 6 . 1 1 31 31 ASP CB C 31 42.722 42.722 43.074 -0.352 17613 3818 1 6 . 1 1 31 31 ASP H H 31 8.377 8.377 8.425 -0.048 17613 3819 1 6 . 1 1 32 32 VAL N N 32 120.426 120.426 122.954 -2.528 17613 3820 1 6 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.336 -0.088 17613 3821 1 6 . 1 1 32 32 VAL C C 32 174.114 174.114 175.314 -1.200 17613 3822 1 6 . 1 1 32 32 VAL CA C 32 61.557 61.557 60.842 0.715 17613 3823 1 6 . 1 1 32 32 VAL CB C 32 33.884 33.884 32.073 1.811 17613 3824 1 6 . 1 1 32 32 VAL H H 32 8.441 8.441 8.587 -0.146 17613 3825 1 6 . 1 1 33 33 ASN N N 33 122.700 122.700 125.687 -2.987 17613 3826 1 6 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.756 0.221 17613 3827 1 6 . 1 1 33 33 ASN C C 33 174.235 174.235 174.465 -0.230 17613 3828 1 6 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.663 -0.266 17613 3829 1 6 . 1 1 33 33 ASN CB C 33 40.869 40.869 39.615 1.254 17613 3830 1 6 . 1 1 33 33 ASN H H 33 9.550 9.550 8.880 0.670 17613 3831 1 6 . 1 1 34 34 ASP N N 34 114.885 114.885 117.696 -2.811 17613 3832 1 6 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.790 -0.087 17613 3833 1 6 . 1 1 34 34 ASP C C 34 175.626 175.626 176.602 -0.976 17613 3834 1 6 . 1 1 34 34 ASP CA C 34 53.483 53.483 53.164 0.319 17613 3835 1 6 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.374 -0.978 17613 3836 1 6 . 1 1 34 34 ASP H H 34 7.616 7.616 7.699 -0.083 17613 3837 1 6 . 1 1 35 35 SER N N 35 114.381 114.381 118.193 -3.812 17613 3838 1 6 . 1 1 35 35 SER HA H 35 4.046 4.046 4.086 -0.040 17613 3839 1 6 . 1 1 35 35 SER C C 35 175.991 175.991 176.209 -0.218 17613 3840 1 6 . 1 1 35 35 SER CA C 35 61.446 61.446 61.735 -0.289 17613 3841 1 6 . 1 1 35 35 SER CB C 35 62.764 62.764 63.336 -0.572 17613 3842 1 6 . 1 1 35 35 SER H H 35 8.869 8.869 8.833 0.036 17613 3843 1 6 . 1 1 36 36 ASP N N 36 124.695 124.695 121.526 3.169 17613 3844 1 6 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.400 0.119 17613 3845 1 6 . 1 1 36 36 ASP C C 36 179.136 179.136 178.562 0.574 17613 3846 1 6 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.694 -0.026 17613 3847 1 6 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.570 -0.286 17613 3848 1 6 . 1 1 36 36 ASP H H 36 8.388 8.388 8.067 0.321 17613 3849 1 6 . 1 1 37 37 GLU N N 37 122.449 122.449 119.878 2.571 17613 3850 1 6 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.014 0.045 17613 3851 1 6 . 1 1 37 37 GLU C C 37 178.698 178.698 178.804 -0.106 17613 3852 1 6 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.891 0.318 17613 3853 1 6 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.384 0.337 17613 3854 1 6 . 1 1 37 37 GLU H H 37 9.009 9.009 7.740 1.269 17613 3855 1 6 . 1 1 38 38 LEU N N 38 119.580 119.580 121.453 -1.873 17613 3856 1 6 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.957 -0.046 17613 3857 1 6 . 1 1 38 38 LEU C C 38 177.649 177.649 178.636 -0.987 17613 3858 1 6 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.324 0.809 17613 3859 1 6 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.002 -0.933 17613 3860 1 6 . 1 1 38 38 LEU H H 38 8.203 8.203 7.919 0.284 17613 3861 1 6 . 1 1 39 39 LYS N N 39 118.404 118.404 116.840 1.564 17613 3862 1 6 . 1 1 39 39 LYS HA H 39 3.841 3.841 4.054 -0.213 17613 3863 1 6 . 1 1 39 39 LYS C C 39 179.577 179.577 179.360 0.217 17613 3864 1 6 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.278 0.588 17613 3865 1 6 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.193 -0.145 17613 3866 1 6 . 1 1 39 39 LYS H H 39 7.829 7.829 7.853 -0.024 17613 3867 1 6 . 1 1 40 40 LYS N N 40 119.271 119.271 120.377 -1.106 17613 3868 1 6 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.094 -0.072 17613 3869 1 6 . 1 1 40 40 LYS C C 40 179.577 179.577 178.694 0.883 17613 3870 1 6 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.714 0.876 17613 3871 1 6 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.854 0.546 17613 3872 1 6 . 1 1 40 40 LYS H H 40 7.779 7.779 7.769 0.010 17613 3873 1 6 . 1 1 41 41 GLU N N 41 119.647 119.647 119.861 -0.214 17613 3874 1 6 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.069 0.194 17613 3875 1 6 . 1 1 41 41 GLU C C 41 179.504 179.504 179.148 0.356 17613 3876 1 6 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.892 -0.818 17613 3877 1 6 . 1 1 41 41 GLU CB C 41 28.246 28.246 28.991 -0.745 17613 3878 1 6 . 1 1 41 41 GLU H H 41 8.721 8.721 8.030 0.691 17613 3879 1 6 . 1 1 42 42 MET N N 42 118.114 118.114 117.320 0.794 17613 3880 1 6 . 1 1 42 42 MET HA H 42 4.383 4.383 4.247 0.136 17613 3881 1 6 . 1 1 42 42 MET C C 42 179.185 179.185 178.545 0.640 17613 3882 1 6 . 1 1 42 42 MET CA C 42 57.054 57.054 57.526 -0.472 17613 3883 1 6 . 1 1 42 42 MET CB C 42 31.254 31.254 31.639 -0.385 17613 3884 1 6 . 1 1 42 42 MET H H 42 8.779 8.779 7.837 0.942 17613 3885 1 6 . 1 1 43 43 LYS N N 43 120.740 120.740 119.707 1.033 17613 3886 1 6 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.019 0.069 17613 3887 1 6 . 1 1 43 43 LYS C C 43 178.187 178.187 178.998 -0.811 17613 3888 1 6 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.638 -0.248 17613 3889 1 6 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.062 -0.100 17613 3890 1 6 . 1 1 43 43 LYS H H 43 7.499 7.499 7.510 -0.011 17613 3891 1 6 . 1 1 44 44 LYS N N 44 118.269 118.269 119.822 -1.553 17613 3892 1 6 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.133 -0.072 17613 3893 1 6 . 1 1 44 44 LYS C C 44 179.601 179.601 179.232 0.369 17613 3894 1 6 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.300 1.200 17613 3895 1 6 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.955 0.115 17613 3896 1 6 . 1 1 44 44 LYS H H 44 7.445 7.445 7.705 -0.260 17613 3897 1 6 . 1 1 45 45 LEU N N 45 117.785 117.785 119.104 -1.319 17613 3898 1 6 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.095 0.053 17613 3899 1 6 . 1 1 45 45 LEU C C 45 178.357 178.357 178.939 -0.582 17613 3900 1 6 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.620 -0.432 17613 3901 1 6 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.414 0.359 17613 3902 1 6 . 1 1 45 45 LEU H H 45 8.161 8.161 8.365 -0.204 17613 3903 1 6 . 1 1 46 46 ALA N N 46 118.538 118.538 121.785 -3.247 17613 3904 1 6 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.145 0.107 17613 3905 1 6 . 1 1 46 46 ALA C C 46 178.893 178.893 179.377 -0.484 17613 3906 1 6 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.443 -0.771 17613 3907 1 6 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.470 0.412 17613 3908 1 6 . 1 1 46 46 ALA H H 46 7.637 7.637 7.500 0.137 17613 3909 1 6 . 1 1 47 47 GLU N N 47 115.492 115.492 117.936 -2.444 17613 3910 1 6 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.129 0.121 17613 3911 1 6 . 1 1 47 47 GLU C C 47 176.478 176.478 177.592 -1.114 17613 3912 1 6 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.985 -1.054 17613 3913 1 6 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.242 0.175 17613 3914 1 6 . 1 1 47 47 GLU H H 47 7.713 7.713 7.976 -0.263 17613 3915 1 6 . 1 1 48 48 GLU N N 48 120.573 120.573 120.716 -0.143 17613 3916 1 6 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.322 0.051 17613 3917 1 6 . 1 1 48 48 GLU C C 48 173.624 173.624 175.583 -1.959 17613 3918 1 6 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.905 0.116 17613 3919 1 6 . 1 1 48 48 GLU CB C 48 29.910 29.910 30.335 -0.425 17613 3920 1 6 . 1 1 48 48 GLU H H 48 7.748 7.748 7.897 -0.149 17613 3921 1 6 . 1 1 49 49 LYS N N 49 124.420 124.420 123.780 0.640 17613 3922 1 6 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.221 0.097 17613 3923 1 6 . 1 1 49 49 LYS C C 49 176.843 176.843 177.125 -0.282 17613 3924 1 6 . 1 1 49 49 LYS CA C 49 56.517 56.517 55.975 0.542 17613 3925 1 6 . 1 1 49 49 LYS CB C 49 32.462 32.462 33.353 -0.891 17613 3926 1 6 . 1 1 49 49 LYS H H 49 8.607 8.607 8.519 0.088 17613 3927 1 6 . 1 1 50 50 ASN N N 50 117.993 117.993 118.532 -0.539 17613 3928 1 6 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.517 0.107 17613 3929 1 6 . 1 1 50 50 ASN C C 50 176.454 176.454 173.872 2.582 17613 3930 1 6 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.322 0.233 17613 3931 1 6 . 1 1 50 50 ASN CB C 50 39.036 39.036 36.928 2.108 17613 3932 1 6 . 1 1 50 50 ASN H H 50 8.723 8.723 8.634 0.089 17613 3933 1 6 . 1 1 51 51 PHE N N 51 120.700 120.700 117.685 3.015 17613 3934 1 6 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.712 0.046 17613 3935 1 6 . 1 1 51 51 PHE CA C 51 57.935 57.935 57.450 0.485 17613 3936 1 6 . 1 1 51 51 PHE CB C 51 38.975 38.975 40.633 -1.658 17613 3937 1 6 . 1 1 51 51 PHE H H 51 8.341 8.341 8.093 0.248 17613 3938 1 6 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.399 -0.141 17613 3939 1 6 . 1 1 52 52 GLU C C 52 173.600 173.600 174.752 -1.152 17613 3940 1 6 . 1 1 52 52 GLU CA C 52 56.254 56.254 55.145 1.109 17613 3941 1 6 . 1 1 52 52 GLU CB C 52 33.459 33.459 32.220 1.239 17613 3942 1 6 . 1 1 53 53 LYS N N 53 119.964 119.964 126.110 -6.146 17613 3943 1 6 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.437 0.252 17613 3944 1 6 . 1 1 53 53 LYS C C 53 174.430 174.430 175.418 -0.988 17613 3945 1 6 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.108 0.248 17613 3946 1 6 . 1 1 53 53 LYS CB C 53 31.445 31.445 33.316 -1.871 17613 3947 1 6 . 1 1 53 53 LYS H H 53 7.962 7.962 8.567 -0.605 17613 3948 1 6 . 1 1 54 54 ILE N N 54 124.730 124.730 124.084 0.646 17613 3949 1 6 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.710 0.136 17613 3950 1 6 . 1 1 54 54 ILE C C 54 173.089 173.089 175.622 -2.533 17613 3951 1 6 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.650 0.614 17613 3952 1 6 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.284 3.669 17613 3953 1 6 . 1 1 54 54 ILE H H 54 8.804 8.804 8.502 0.302 17613 3954 1 6 . 1 1 55 55 LEU N N 55 130.086 130.086 130.021 0.065 17613 3955 1 6 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.825 0.816 17613 3956 1 6 . 1 1 55 55 LEU C C 55 174.430 174.430 175.209 -0.779 17613 3957 1 6 . 1 1 55 55 LEU CA C 55 53.502 53.502 54.449 -0.947 17613 3958 1 6 . 1 1 55 55 LEU CB C 55 45.202 45.202 43.947 1.255 17613 3959 1 6 . 1 1 55 55 LEU H H 55 9.103 9.103 8.377 0.726 17613 3960 1 6 . 1 1 56 56 ILE N N 56 125.983 125.983 125.336 0.647 17613 3961 1 6 . 1 1 56 56 ILE HA H 56 5.057 5.057 5.111 -0.054 17613 3962 1 6 . 1 1 56 56 ILE C C 56 174.089 174.089 175.250 -1.161 17613 3963 1 6 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.518 0.592 17613 3964 1 6 . 1 1 56 56 ILE CB C 56 39.823 39.823 39.732 0.091 17613 3965 1 6 . 1 1 56 56 ILE H H 56 9.182 9.182 8.573 0.609 17613 3966 1 6 . 1 1 57 57 ILE N N 57 127.241 127.241 126.231 1.010 17613 3967 1 6 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.030 -0.118 17613 3968 1 6 . 1 1 57 57 ILE C C 57 174.869 174.869 174.785 0.084 17613 3969 1 6 . 1 1 57 57 ILE CA C 57 59.255 59.255 59.956 -0.701 17613 3970 1 6 . 1 1 57 57 ILE CB C 57 38.951 38.951 41.243 -2.292 17613 3971 1 6 . 1 1 57 57 ILE H H 57 8.541 8.541 9.019 -0.478 17613 3972 1 6 . 1 1 58 58 SER N N 58 119.270 119.270 120.043 -0.773 17613 3973 1 6 . 1 1 58 58 SER HA H 58 5.007 5.007 5.067 -0.060 17613 3974 1 6 . 1 1 58 58 SER C C 58 174.211 174.211 173.914 0.297 17613 3975 1 6 . 1 1 58 58 SER CA C 58 56.727 56.727 56.567 0.160 17613 3976 1 6 . 1 1 58 58 SER CB C 58 66.615 66.615 65.394 1.222 17613 3977 1 6 . 1 1 58 58 SER H H 58 8.810 8.810 8.739 0.071 17613 3978 1 6 . 1 1 59 59 ASN N N 59 122.382 122.382 125.368 -2.986 17613 3979 1 6 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.076 -0.365 17613 3980 1 6 . 1 1 59 59 ASN C C 59 174.795 174.795 174.960 -0.165 17613 3981 1 6 . 1 1 59 59 ASN CA C 59 52.507 52.507 54.051 -1.544 17613 3982 1 6 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.173 -0.211 17613 3983 1 6 . 1 1 59 59 ASN H H 59 8.794 8.794 8.933 -0.139 17613 3984 1 6 . 1 1 60 60 ASP N N 60 119.744 119.744 119.440 0.304 17613 3985 1 6 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.760 0.103 17613 3986 1 6 . 1 1 60 60 ASP C C 60 176.015 176.015 176.419 -0.404 17613 3987 1 6 . 1 1 60 60 ASP CA C 60 53.097 53.097 53.011 0.086 17613 3988 1 6 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.156 -0.207 17613 3989 1 6 . 1 1 60 60 ASP H H 60 7.857 7.857 7.479 0.378 17613 3990 1 6 . 1 1 61 61 LYS N N 61 125.818 125.818 125.087 0.731 17613 3991 1 6 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.127 -0.405 17613 3992 1 6 . 1 1 61 61 LYS C C 61 177.673 177.673 178.212 -0.539 17613 3993 1 6 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.596 0.036 17613 3994 1 6 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.365 -0.848 17613 3995 1 6 . 1 1 61 61 LYS H H 61 8.904 8.904 8.625 0.279 17613 3996 1 6 . 1 1 62 62 GLN N N 62 118.918 118.918 120.549 -1.631 17613 3997 1 6 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.180 -0.075 17613 3998 1 6 . 1 1 62 62 GLN C C 62 178.747 178.747 178.059 0.688 17613 3999 1 6 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.823 -0.522 17613 4000 1 6 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.306 -0.858 17613 4001 1 6 . 1 1 62 62 GLN H H 62 8.434 8.434 7.791 0.643 17613 4002 1 6 . 1 1 63 63 LEU N N 63 120.071 120.071 120.202 -0.131 17613 4003 1 6 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.981 0.153 17613 4004 1 6 . 1 1 63 63 LEU C C 63 178.552 178.552 178.854 -0.302 17613 4005 1 6 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.679 -1.036 17613 4006 1 6 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.669 -0.775 17613 4007 1 6 . 1 1 63 63 LEU H H 63 7.671 7.671 8.251 -0.580 17613 4008 1 6 . 1 1 64 64 LEU N N 64 117.705 117.705 119.809 -2.104 17613 4009 1 6 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.859 0.048 17613 4010 1 6 . 1 1 64 64 LEU C C 64 172.526 172.526 178.529 -6.003 17613 4011 1 6 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.435 -0.657 17613 4012 1 6 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.906 -0.556 17613 4013 1 6 . 1 1 64 64 LEU H H 64 7.626 7.626 7.560 0.066 17613 4014 1 6 . 1 1 65 65 LYS N N 65 118.311 118.311 118.463 -0.152 17613 4015 1 6 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.917 -0.123 17613 4016 1 6 . 1 1 65 65 LYS C C 65 178.479 178.479 178.882 -0.403 17613 4017 1 6 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.023 0.203 17613 4018 1 6 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.084 0.182 17613 4019 1 6 . 1 1 65 65 LYS H H 65 8.038 8.038 7.837 0.201 17613 4020 1 6 . 1 1 66 66 GLU N N 66 119.362 119.362 120.079 -0.717 17613 4021 1 6 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.049 -0.023 17613 4022 1 6 . 1 1 66 66 GLU C C 66 178.893 178.893 178.938 -0.045 17613 4023 1 6 . 1 1 66 66 GLU CA C 66 59.119 59.119 59.159 -0.040 17613 4024 1 6 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.524 -0.262 17613 4025 1 6 . 1 1 66 66 GLU H H 66 7.803 7.803 7.743 0.060 17613 4026 1 6 . 1 1 67 67 MET N N 67 118.398 118.398 119.867 -1.469 17613 4027 1 6 . 1 1 67 67 MET HA H 67 3.948 3.948 4.059 -0.111 17613 4028 1 6 . 1 1 67 67 MET C C 67 177.527 177.527 178.397 -0.870 17613 4029 1 6 . 1 1 67 67 MET CA C 67 59.963 59.963 59.471 0.492 17613 4030 1 6 . 1 1 67 67 MET CB C 67 33.443 33.443 32.568 0.875 17613 4031 1 6 . 1 1 67 67 MET H H 67 8.394 8.394 8.083 0.311 17613 4032 1 6 . 1 1 68 68 LEU N N 68 118.269 118.269 118.210 0.059 17613 4033 1 6 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.832 -0.053 17613 4034 1 6 . 1 1 68 68 LEU C C 68 178.869 178.869 179.373 -0.504 17613 4035 1 6 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.519 0.422 17613 4036 1 6 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.385 -0.510 17613 4037 1 6 . 1 1 68 68 LEU H H 68 8.471 8.471 7.980 0.491 17613 4038 1 6 . 1 1 69 69 GLU N N 69 118.681 118.681 119.128 -0.447 17613 4039 1 6 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.118 -0.063 17613 4040 1 6 . 1 1 69 69 GLU C C 69 179.063 179.063 179.304 -0.241 17613 4041 1 6 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.212 0.212 17613 4042 1 6 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.621 -0.481 17613 4043 1 6 . 1 1 69 69 GLU H H 69 7.627 7.627 7.911 -0.284 17613 4044 1 6 . 1 1 70 70 LEU N N 70 119.503 119.503 120.314 -0.811 17613 4045 1 6 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.080 0.081 17613 4046 1 6 . 1 1 70 70 LEU C C 70 179.699 179.699 179.058 0.641 17613 4047 1 6 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.660 0.114 17613 4048 1 6 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.087 -0.143 17613 4049 1 6 . 1 1 70 70 LEU H H 70 7.717 7.717 7.654 0.063 17613 4050 1 6 . 1 1 71 71 ILE N N 71 116.791 116.791 118.788 -1.997 17613 4051 1 6 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.682 0.055 17613 4052 1 6 . 1 1 71 71 ILE C C 71 178.357 178.357 178.155 0.202 17613 4053 1 6 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.047 -0.805 17613 4054 1 6 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.529 0.372 17613 4055 1 6 . 1 1 71 71 ILE H H 71 8.598 8.598 8.210 0.388 17613 4056 1 6 . 1 1 72 72 SER N N 72 116.517 116.517 115.763 0.754 17613 4057 1 6 . 1 1 72 72 SER HA H 72 4.365 4.365 4.250 0.115 17613 4058 1 6 . 1 1 72 72 SER C C 72 176.845 176.845 176.284 0.561 17613 4059 1 6 . 1 1 72 72 SER CA C 72 61.365 61.365 61.691 -0.325 17613 4060 1 6 . 1 1 72 72 SER CB C 72 62.780 62.780 62.969 -0.189 17613 4061 1 6 . 1 1 72 72 SER H H 72 8.023 8.023 8.047 -0.024 17613 4062 1 6 . 1 1 73 73 LYS N N 73 120.731 120.731 120.349 0.382 17613 4063 1 6 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.098 0.193 17613 4064 1 6 . 1 1 73 73 LYS C C 73 177.771 177.771 178.058 -0.287 17613 4065 1 6 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.723 -0.247 17613 4066 1 6 . 1 1 73 73 LYS CB C 73 32.146 32.146 31.875 0.272 17613 4067 1 6 . 1 1 73 73 LYS H H 73 7.723 7.723 7.348 0.375 17613 4068 1 6 . 1 1 74 74 LEU N N 74 117.572 117.572 117.021 0.551 17613 4069 1 6 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.101 0.126 17613 4070 1 6 . 1 1 74 74 LEU C C 74 177.332 177.332 177.635 -0.303 17613 4071 1 6 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.014 0.185 17613 4072 1 6 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.076 -0.590 17613 4073 1 6 . 1 1 74 74 LEU H H 74 7.609 7.609 7.312 0.297 17613 4074 1 6 . 1 1 75 75 GLY N N 75 105.991 105.991 106.115 -0.124 17613 4075 1 6 . 1 1 75 75 GLY C C 75 174.771 174.771 174.654 0.117 17613 4076 1 6 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.703 0.139 17613 4077 1 6 . 1 1 75 75 GLY H H 75 7.925 7.925 7.591 0.334 17613 4078 1 6 . 1 1 76 76 TYR N N 76 118.452 118.452 119.434 -0.982 17613 4079 1 6 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.451 0.327 17613 4080 1 6 . 1 1 76 76 TYR C C 76 175.234 175.234 176.080 -0.846 17613 4081 1 6 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.301 -0.797 17613 4082 1 6 . 1 1 76 76 TYR CB C 76 37.962 37.962 39.293 -1.331 17613 4083 1 6 . 1 1 76 76 TYR H H 76 7.366 7.366 7.389 -0.023 17613 4084 1 6 . 1 1 77 77 LYS N N 77 122.866 122.866 122.299 0.567 17613 4085 1 6 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.222 0.326 17613 4086 1 6 . 1 1 77 77 LYS C C 77 174.138 174.138 175.374 -1.236 17613 4087 1 6 . 1 1 77 77 LYS CA C 77 55.070 55.070 56.310 -1.240 17613 4088 1 6 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.019 0.198 17613 4089 1 6 . 1 1 77 77 LYS H H 77 8.290 8.290 8.661 -0.371 17613 4090 1 6 . 1 1 78 78 VAL N N 78 124.071 124.071 124.145 -0.074 17613 4091 1 6 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.823 0.343 17613 4092 1 6 . 1 1 78 78 VAL C C 78 174.162 174.162 174.488 -0.326 17613 4093 1 6 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.613 -0.384 17613 4094 1 6 . 1 1 78 78 VAL CB C 78 34.355 34.355 32.862 1.492 17613 4095 1 6 . 1 1 78 78 VAL H H 78 7.830 7.830 8.305 -0.475 17613 4096 1 6 . 1 1 79 79 PHE N N 79 126.174 126.174 126.233 -0.059 17613 4097 1 6 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.618 -0.051 17613 4098 1 6 . 1 1 79 79 PHE C C 79 173.357 173.357 174.411 -1.054 17613 4099 1 6 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.091 -0.138 17613 4100 1 6 . 1 1 79 79 PHE CB C 79 40.184 40.184 39.770 0.414 17613 4101 1 6 . 1 1 79 79 PHE H H 79 8.374 8.374 8.059 0.315 17613 4102 1 6 . 1 1 80 80 LEU N N 80 123.959 123.959 126.366 -2.407 17613 4103 1 6 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.412 0.134 17613 4104 1 6 . 1 1 80 80 LEU C C 80 173.503 173.503 174.725 -1.222 17613 4105 1 6 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.968 1.030 17613 4106 1 6 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.617 0.050 17613 4107 1 6 . 1 1 80 80 LEU H H 80 8.601 8.601 8.819 -0.218 17613 4108 1 6 . 1 1 81 81 LEU N N 81 126.694 126.694 128.362 -1.668 17613 4109 1 6 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.363 -0.094 17613 4110 1 6 . 1 1 81 81 LEU C C 81 173.649 173.649 174.618 -0.969 17613 4111 1 6 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.313 -0.249 17613 4112 1 6 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.005 0.772 17613 4113 1 6 . 1 1 81 81 LEU H H 81 9.063 9.063 8.812 0.251 17613 4114 1 6 . 1 1 82 82 LEU N N 82 124.888 124.888 128.030 -3.142 17613 4115 1 6 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.948 -0.037 17613 4116 1 6 . 1 1 82 82 LEU C C 82 174.479 174.479 175.088 -0.609 17613 4117 1 6 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.872 -0.737 17613 4118 1 6 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.361 0.861 17613 4119 1 6 . 1 1 82 82 LEU H H 82 8.864 8.864 9.079 -0.215 17613 4120 1 6 . 1 1 83 83 GLN N N 83 122.153 122.153 125.030 -2.877 17613 4121 1 6 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.149 0.111 17613 4122 1 6 . 1 1 83 83 GLN C C 83 174.333 174.333 174.253 0.080 17613 4123 1 6 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.460 0.126 17613 4124 1 6 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.235 -1.365 17613 4125 1 6 . 1 1 83 83 GLN H H 83 8.437 8.437 8.783 -0.346 17613 4126 1 6 . 1 1 84 84 ASP N N 84 124.451 124.451 125.344 -0.893 17613 4127 1 6 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.888 -0.386 17613 4128 1 6 . 1 1 84 84 ASP C C 84 174.308 174.308 175.978 -1.670 17613 4129 1 6 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.410 0.605 17613 4130 1 6 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.300 -0.529 17613 4131 1 6 . 1 1 84 84 ASP H H 84 8.205 8.205 7.912 0.293 17613 4132 1 6 . 1 1 85 85 GLN N N 85 120.202 120.202 120.656 -0.454 17613 4133 1 6 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.197 0.137 17613 4134 1 6 . 1 1 85 85 GLN C C 85 175.431 175.431 176.437 -1.006 17613 4135 1 6 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.935 -0.340 17613 4136 1 6 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.357 -0.023 17613 4137 1 6 . 1 1 85 85 GLN H H 85 8.617 8.617 8.538 0.079 17613 4138 1 6 . 1 1 86 86 ASP N N 86 120.508 120.508 122.838 -2.330 17613 4139 1 6 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.761 -0.076 17613 4140 1 6 . 1 1 86 86 ASP C C 86 175.747 175.747 175.952 -0.205 17613 4141 1 6 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.220 -0.708 17613 4142 1 6 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.901 0.056 17613 4143 1 6 . 1 1 86 86 ASP H H 86 8.691 8.691 8.105 0.586 17613 4144 1 6 . 1 1 87 87 GLU N N 87 123.604 123.604 123.498 0.106 17613 4145 1 6 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.028 0.007 17613 4146 1 6 . 1 1 87 87 GLU C C 87 177.771 177.771 177.708 0.063 17613 4147 1 6 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.607 -1.085 17613 4148 1 6 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.823 -0.248 17613 4149 1 6 . 1 1 87 87 GLU H H 87 8.642 8.642 8.249 0.393 17613 4150 1 6 . 1 1 88 88 ASN N N 88 118.838 118.838 118.462 0.376 17613 4151 1 6 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.488 0.073 17613 4152 1 6 . 1 1 88 88 ASN C C 88 177.089 177.089 177.603 -0.514 17613 4153 1 6 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.433 -0.791 17613 4154 1 6 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.450 0.716 17613 4155 1 6 . 1 1 88 88 ASN H H 88 8.527 8.527 8.656 -0.129 17613 4156 1 6 . 1 1 89 89 GLU N N 89 120.947 120.947 119.745 1.202 17613 4157 1 6 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.199 -0.052 17613 4158 1 6 . 1 1 89 89 GLU C C 89 178.357 178.357 178.915 -0.558 17613 4159 1 6 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.545 -0.294 17613 4160 1 6 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.260 -0.016 17613 4161 1 6 . 1 1 89 89 GLU H H 89 8.221 8.221 7.774 0.447 17613 4162 1 6 . 1 1 90 90 LEU N N 90 119.582 119.582 121.546 -1.964 17613 4163 1 6 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.162 0.043 17613 4164 1 6 . 1 1 90 90 LEU C C 90 177.917 177.917 178.472 -0.555 17613 4165 1 6 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.098 -1.154 17613 4166 1 6 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.787 0.669 17613 4167 1 6 . 1 1 90 90 LEU H H 90 8.047 8.047 8.369 -0.322 17613 4168 1 6 . 1 1 91 91 GLU N N 91 119.029 119.029 118.996 0.033 17613 4169 1 6 . 1 1 91 91 GLU HA H 91 4.073 4.073 3.969 0.104 17613 4170 1 6 . 1 1 91 91 GLU C C 91 178.284 178.284 178.767 -0.483 17613 4171 1 6 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.579 -0.450 17613 4172 1 6 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.196 -0.226 17613 4173 1 6 . 1 1 91 91 GLU H H 91 7.940 7.940 8.026 -0.086 17613 4174 1 6 . 1 1 92 92 GLU N N 92 118.667 118.667 119.235 -0.568 17613 4175 1 6 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.049 -0.017 17613 4176 1 6 . 1 1 92 92 GLU C C 92 178.103 178.103 179.203 -1.100 17613 4177 1 6 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.183 0.069 17613 4178 1 6 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.462 -0.530 17613 4179 1 6 . 1 1 92 92 GLU H H 92 8.088 8.088 7.556 0.532 17613 4180 1 6 . 1 1 93 93 PHE N N 93 120.118 120.118 120.199 -0.081 17613 4181 1 6 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.246 0.094 17613 4182 1 6 . 1 1 93 93 PHE C C 93 176.894 176.894 177.514 -0.620 17613 4183 1 6 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.481 -0.036 17613 4184 1 6 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.286 -0.299 17613 4185 1 6 . 1 1 93 93 PHE H H 93 8.103 8.103 8.174 -0.071 17613 4186 1 6 . 1 1 94 94 LYS N N 94 118.941 118.941 119.517 -0.576 17613 4187 1 6 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.796 -0.179 17613 4188 1 6 . 1 1 94 94 LYS C C 94 177.600 177.600 178.969 -1.369 17613 4189 1 6 . 1 1 94 94 LYS CA C 94 60.076 60.076 58.970 1.106 17613 4190 1 6 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.104 0.361 17613 4191 1 6 . 1 1 94 94 LYS H H 94 8.606 8.606 8.071 0.535 17613 4192 1 6 . 1 1 95 95 ARG N N 95 117.194 117.194 117.692 -0.498 17613 4193 1 6 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.053 0.097 17613 4194 1 6 . 1 1 95 95 ARG C C 95 179.404 179.404 178.787 0.617 17613 4195 1 6 . 1 1 95 95 ARG CA C 95 59.103 59.103 57.858 1.245 17613 4196 1 6 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.176 0.643 17613 4197 1 6 . 1 1 95 95 ARG H H 95 8.159 8.159 7.951 0.208 17613 4198 1 6 . 1 1 96 96 LYS N N 96 119.582 119.582 120.000 -0.418 17613 4199 1 6 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.062 0.003 17613 4200 1 6 . 1 1 96 96 LYS C C 96 179.034 179.034 179.152 -0.118 17613 4201 1 6 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.063 -0.129 17613 4202 1 6 . 1 1 96 96 LYS CB C 96 32.069 32.069 31.718 0.351 17613 4203 1 6 . 1 1 96 96 LYS H H 96 7.786 7.786 7.505 0.281 17613 4204 1 6 . 1 1 97 97 ILE N N 97 118.550 118.550 118.612 -0.062 17613 4205 1 6 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.708 0.230 17613 4206 1 6 . 1 1 97 97 ILE C C 97 178.284 178.284 177.589 0.695 17613 4207 1 6 . 1 1 97 97 ILE CA C 97 62.569 62.569 64.389 -1.820 17613 4208 1 6 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.762 -0.556 17613 4209 1 6 . 1 1 97 97 ILE H H 97 7.831 7.831 7.173 0.658 17613 4210 1 6 . 1 1 98 98 GLU N N 98 121.984 121.984 120.496 1.488 17613 4211 1 6 . 1 1 98 98 GLU HA H 98 4.336 4.336 3.972 0.364 17613 4212 1 6 . 1 1 98 98 GLU C C 98 180.040 180.040 178.396 1.644 17613 4213 1 6 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.775 0.175 17613 4214 1 6 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.820 -0.385 17613 4215 1 6 . 1 1 98 98 GLU H H 98 8.670 8.670 8.043 0.627 17613 4216 1 6 . 1 1 99 99 SER N N 99 115.499 115.499 113.864 1.635 17613 4217 1 6 . 1 1 99 99 SER HA H 99 4.343 4.343 4.238 0.105 17613 4218 1 6 . 1 1 99 99 SER C C 99 174.820 174.820 176.285 -1.465 17613 4219 1 6 . 1 1 99 99 SER CA C 99 60.410 60.410 60.531 -0.121 17613 4220 1 6 . 1 1 99 99 SER CB C 99 62.680 62.680 62.802 -0.122 17613 4221 1 6 . 1 1 99 99 SER H H 99 8.099 8.099 7.564 0.535 17613 4222 1 6 . 1 1 100 100 GLN N N 100 119.301 119.301 117.796 1.505 17613 4223 1 6 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.130 0.180 17613 4224 1 6 . 1 1 100 100 GLN C C 100 175.857 175.857 175.739 0.118 17613 4225 1 6 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.390 0.536 17613 4226 1 6 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.813 0.399 17613 4227 1 6 . 1 1 100 100 GLN H H 100 7.623 7.623 7.411 0.212 17613 4228 1 6 . 1 1 101 101 GLY N N 101 105.765 105.765 107.236 -1.471 17613 4229 1 6 . 1 1 101 101 GLY C C 101 173.748 173.748 173.725 0.023 17613 4230 1 6 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.139 0.064 17613 4231 1 6 . 1 1 101 101 GLY H H 101 7.945 7.945 7.360 0.585 17613 4232 1 6 . 1 1 102 102 TYR N N 102 117.993 117.993 117.573 0.420 17613 4233 1 6 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.502 0.170 17613 4234 1 6 . 1 1 102 102 TYR C C 102 174.747 174.747 174.941 -0.194 17613 4235 1 6 . 1 1 102 102 TYR CA C 102 56.254 56.254 55.591 0.663 17613 4236 1 6 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.813 -1.765 17613 4237 1 6 . 1 1 102 102 TYR H H 102 6.890 6.890 7.341 -0.451 17613 4238 1 6 . 1 1 103 103 GLU N N 103 122.864 122.864 124.748 -1.884 17613 4239 1 6 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.342 0.165 17613 4240 1 6 . 1 1 103 103 GLU C C 103 174.162 174.162 175.005 -0.843 17613 4241 1 6 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.783 0.601 17613 4242 1 6 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.869 1.502 17613 4243 1 6 . 1 1 103 103 GLU H H 103 8.318 8.318 8.496 -0.178 17613 4244 1 6 . 1 1 104 104 VAL N N 104 124.342 124.342 127.359 -3.017 17613 4245 1 6 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.901 0.327 17613 4246 1 6 . 1 1 104 104 VAL C C 104 174.235 174.235 175.866 -1.631 17613 4247 1 6 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.287 -2.007 17613 4248 1 6 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.380 1.787 17613 4249 1 6 . 1 1 104 104 VAL H H 104 8.651 8.651 7.938 0.713 17613 4250 1 6 . 1 1 105 105 ARG N N 105 124.856 124.856 128.875 -4.019 17613 4251 1 6 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.765 0.150 17613 4252 1 6 . 1 1 105 105 ARG C C 105 173.917 173.917 175.485 -1.568 17613 4253 1 6 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.860 -1.395 17613 4254 1 6 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.477 -0.522 17613 4255 1 6 . 1 1 105 105 ARG H H 105 8.705 8.705 9.057 -0.352 17613 4256 1 6 . 1 1 106 106 LYS N N 106 121.499 121.499 122.129 -0.630 17613 4257 1 6 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.346 0.232 17613 4258 1 6 . 1 1 106 106 LYS C C 106 174.820 174.820 176.018 -1.198 17613 4259 1 6 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.584 -1.716 17613 4260 1 6 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.303 0.996 17613 4261 1 6 . 1 1 106 106 LYS H H 106 8.807 8.807 8.446 0.361 17613 4262 1 6 . 1 1 107 107 VAL N N 107 118.792 118.792 121.308 -2.516 17613 4263 1 6 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.509 0.106 17613 4264 1 6 . 1 1 107 107 VAL C C 107 173.332 173.332 174.481 -1.149 17613 4265 1 6 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.183 0.039 17613 4266 1 6 . 1 1 107 107 VAL CB C 107 35.234 35.234 34.952 0.282 17613 4267 1 6 . 1 1 107 107 VAL H H 107 8.555 8.555 8.343 0.212 17613 4268 1 6 . 1 1 108 108 THR N N 108 114.072 114.072 118.291 -4.219 17613 4269 1 6 . 1 1 108 108 THR HA H 108 4.781 4.781 4.633 0.148 17613 4270 1 6 . 1 1 108 108 THR C C 108 174.625 174.625 174.916 -0.291 17613 4271 1 6 . 1 1 108 108 THR CA C 108 62.221 62.221 62.304 -0.083 17613 4272 1 6 . 1 1 108 108 THR CB C 108 69.975 69.975 70.110 -0.135 17613 4273 1 6 . 1 1 108 108 THR H H 108 8.604 8.604 8.514 0.090 17613 4274 1 6 . 1 1 109 109 ASP N N 109 122.574 122.574 123.482 -0.908 17613 4275 1 6 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.862 -0.124 17613 4276 1 6 . 1 1 109 109 ASP C C 109 175.796 175.796 176.922 -1.126 17613 4277 1 6 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.333 -0.484 17613 4278 1 6 . 1 1 109 109 ASP CB C 109 43.688 43.688 43.192 0.496 17613 4279 1 6 . 1 1 109 109 ASP H H 109 8.036 8.036 7.782 0.254 17613 4280 1 6 . 1 1 110 110 ASP N N 110 122.852 122.852 121.784 1.068 17613 4281 1 6 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.304 -0.209 17613 4282 1 6 . 1 1 110 110 ASP C C 110 177.527 177.527 177.676 -0.149 17613 4283 1 6 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.630 -0.242 17613 4284 1 6 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.342 -0.041 17613 4285 1 6 . 1 1 110 110 ASP H H 110 8.696 8.696 8.759 -0.063 17613 4286 1 6 . 1 1 111 111 GLU N N 111 119.144 119.144 118.884 0.260 17613 4287 1 6 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.080 -0.092 17613 4288 1 6 . 1 1 111 111 GLU C C 111 179.942 179.942 178.616 1.326 17613 4289 1 6 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.162 0.195 17613 4290 1 6 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.270 -0.774 17613 4291 1 6 . 1 1 111 111 GLU H H 111 8.213 8.213 8.631 -0.418 17613 4292 1 6 . 1 1 112 112 GLU N N 112 121.400 121.400 120.481 0.919 17613 4293 1 6 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.045 -0.048 17613 4294 1 6 . 1 1 112 112 GLU C C 112 178.430 178.430 178.080 0.350 17613 4295 1 6 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.755 -0.007 17613 4296 1 6 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.334 -0.140 17613 4297 1 6 . 1 1 112 112 GLU H H 112 8.234 8.234 8.281 -0.047 17613 4298 1 6 . 1 1 113 113 ALA N N 113 120.316 120.316 122.368 -2.052 17613 4299 1 6 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.045 -0.245 17613 4300 1 6 . 1 1 113 113 ALA C C 113 178.430 178.430 179.723 -1.293 17613 4301 1 6 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.102 0.280 17613 4302 1 6 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.150 0.452 17613 4303 1 6 . 1 1 113 113 ALA H H 113 8.118 8.118 7.645 0.473 17613 4304 1 6 . 1 1 114 114 LEU N N 114 116.901 116.901 117.210 -0.309 17613 4305 1 6 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.831 -0.118 17613 4306 1 6 . 1 1 114 114 LEU C C 114 178.431 178.431 179.182 -0.751 17613 4307 1 6 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.468 0.207 17613 4308 1 6 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.273 -0.337 17613 4309 1 6 . 1 1 114 114 LEU H H 114 7.743 7.743 7.647 0.096 17613 4310 1 6 . 1 1 115 115 LYS N N 115 119.066 119.066 119.221 -0.155 17613 4311 1 6 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.037 -0.237 17613 4312 1 6 . 1 1 115 115 LYS C C 115 179.404 179.404 179.051 0.353 17613 4313 1 6 . 1 1 115 115 LYS CA C 115 59.883 59.883 58.393 1.490 17613 4314 1 6 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.889 0.289 17613 4315 1 6 . 1 1 115 115 LYS H H 115 7.617 7.617 7.435 0.182 17613 4316 1 6 . 1 1 116 116 ILE N N 116 120.613 120.613 119.284 1.329 17613 4317 1 6 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.559 -0.099 17613 4318 1 6 . 1 1 116 116 ILE C C 116 177.016 177.016 178.027 -1.011 17613 4319 1 6 . 1 1 116 116 ILE CA C 116 64.122 64.122 63.251 0.871 17613 4320 1 6 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.343 -0.020 17613 4321 1 6 . 1 1 116 116 ILE H H 116 8.004 8.004 7.924 0.080 17613 4322 1 6 . 1 1 117 117 VAL N N 117 120.234 120.234 119.731 0.503 17613 4323 1 6 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.598 -0.338 17613 4324 1 6 . 1 1 117 117 VAL C C 117 177.746 177.746 177.332 0.414 17613 4325 1 6 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.600 -0.095 17613 4326 1 6 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.082 -0.329 17613 4327 1 6 . 1 1 117 117 VAL H H 117 8.121 8.121 7.846 0.275 17613 4328 1 6 . 1 1 118 118 ARG N N 118 118.415 118.415 119.077 -0.662 17613 4329 1 6 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.960 -0.067 17613 4330 1 6 . 1 1 118 118 ARG C C 118 178.966 178.966 178.518 0.448 17613 4331 1 6 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.177 0.992 17613 4332 1 6 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.542 0.160 17613 4333 1 6 . 1 1 118 118 ARG H H 118 8.026 8.026 7.399 0.627 17613 4334 1 6 . 1 1 119 119 GLU N N 119 122.419 122.419 120.413 2.006 17613 4335 1 6 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.074 -0.047 17613 4336 1 6 . 1 1 119 119 GLU C C 119 179.429 179.429 178.883 0.546 17613 4337 1 6 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.523 1.006 17613 4338 1 6 . 1 1 119 119 GLU CB C 119 28.961 28.961 28.774 0.187 17613 4339 1 6 . 1 1 119 119 GLU H H 119 7.918 7.918 8.120 -0.202 17613 4340 1 6 . 1 1 120 120 PHE N N 120 119.597 119.597 120.048 -0.451 17613 4341 1 6 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.930 0.092 17613 4342 1 6 . 1 1 120 120 PHE C C 120 177.698 177.698 177.995 -0.297 17613 4343 1 6 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.068 -3.200 17613 4344 1 6 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.004 -1.251 17613 4345 1 6 . 1 1 120 120 PHE H H 120 8.826 8.826 8.012 0.814 17613 4346 1 6 . 1 1 121 121 MET N N 121 116.596 116.596 116.577 0.019 17613 4347 1 6 . 1 1 121 121 MET HA H 121 3.931 3.931 3.956 -0.025 17613 4348 1 6 . 1 1 121 121 MET C C 121 179.577 179.577 178.509 1.068 17613 4349 1 6 . 1 1 121 121 MET CA C 121 59.785 59.785 58.793 0.992 17613 4350 1 6 . 1 1 121 121 MET CB C 121 33.643 33.643 31.999 1.644 17613 4351 1 6 . 1 1 121 121 MET H H 121 8.317 8.317 8.096 0.221 17613 4352 1 6 . 1 1 122 122 GLN N N 122 120.565 120.565 120.001 0.564 17613 4353 1 6 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.070 0.065 17613 4354 1 6 . 1 1 122 122 GLN C C 122 178.893 178.893 177.502 1.391 17613 4355 1 6 . 1 1 122 122 GLN CA C 122 58.745 58.745 58.441 0.304 17613 4356 1 6 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.085 -0.065 17613 4357 1 6 . 1 1 122 122 GLN H H 122 8.054 8.054 7.779 0.275 17613 4358 1 6 . 1 1 123 123 LYS N N 123 121.605 121.605 119.752 1.853 17613 4359 1 6 . 1 1 123 123 LYS HA H 123 4.025 4.025 3.926 0.099 17613 4360 1 6 . 1 1 123 123 LYS C C 123 179.307 179.307 179.082 0.225 17613 4361 1 6 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.454 -0.211 17613 4362 1 6 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.231 0.075 17613 4363 1 6 . 1 1 123 123 LYS H H 123 8.400 8.400 8.025 0.375 17613 4364 1 6 . 1 1 124 124 ALA N N 124 121.873 121.873 120.648 1.225 17613 4365 1 6 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.080 0.064 17613 4366 1 6 . 1 1 124 124 ALA C C 124 179.112 179.112 179.644 -0.532 17613 4367 1 6 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.928 -0.276 17613 4368 1 6 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.090 0.844 17613 4369 1 6 . 1 1 124 124 ALA H H 124 8.601 8.601 7.953 0.648 17613 4370 1 6 . 1 1 125 125 GLY N N 125 104.755 104.755 104.157 0.598 17613 4371 1 6 . 1 1 125 125 GLY C C 125 175.553 175.553 175.974 -0.421 17613 4372 1 6 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.156 -0.865 17613 4373 1 6 . 1 1 125 125 GLY H H 125 7.949 7.949 8.209 -0.260 17613 4374 1 6 . 1 1 126 126 SER N N 126 116.080 116.080 116.271 -0.191 17613 4375 1 6 . 1 1 126 126 SER HA H 126 4.447 4.447 4.400 0.047 17613 4376 1 6 . 1 1 126 126 SER C C 126 175.504 175.504 175.268 0.236 17613 4377 1 6 . 1 1 126 126 SER CA C 126 59.965 59.965 61.051 -1.086 17613 4378 1 6 . 1 1 126 126 SER CB C 126 63.460 63.460 63.139 0.321 17613 4379 1 6 . 1 1 126 126 SER H H 126 7.861 7.861 7.481 0.380 17613 4380 1 6 . 1 1 127 127 LEU N N 127 122.372 122.372 120.359 2.013 17613 4381 1 6 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.004 0.278 17613 4382 1 6 . 1 1 127 127 LEU C C 127 177.990 177.990 178.022 -0.032 17613 4383 1 6 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.810 -0.593 17613 4384 1 6 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.296 -0.223 17613 4385 1 6 . 1 1 127 127 LEU H H 127 7.882 7.882 7.401 0.481 17613 4386 1 6 . 1 1 128 128 GLU N N 128 119.775 119.775 116.918 2.857 17613 4387 1 6 . 1 1 128 128 GLU HA H 128 3.908 3.908 3.870 0.038 17613 4388 1 6 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.929 -1.318 17613 4389 1 6 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.553 0.277 17613 4390 1 6 . 1 1 128 128 GLU H H 128 8.084 8.084 7.708 0.376 17613 4391 1 6 . 1 1 131 131 HIS N N 131 125.272 125.272 123.223 2.049 17613 4392 1 6 . 1 1 131 131 HIS H H 131 8.059 8.059 8.354 -0.295 17613 4393 1 7 . 1 1 3 3 ILE HA H 3 4.826 4.826 5.030 -0.204 17613 4394 1 7 . 1 1 3 3 ILE C C 3 173.405 173.405 175.284 -1.879 17613 4395 1 7 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.170 -0.615 17613 4396 1 7 . 1 1 3 3 ILE CB C 3 40.508 40.508 38.764 1.744 17613 4397 1 7 . 1 1 3 3 ILE H H 3 8.444 8.444 8.435 0.009 17613 4398 1 7 . 1 1 4 4 LEU N N 4 127.785 127.785 127.837 -0.052 17613 4399 1 7 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.059 0.400 17613 4400 1 7 . 1 1 4 4 LEU C C 4 174.832 174.832 176.212 -1.380 17613 4401 1 7 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.184 0.157 17613 4402 1 7 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.757 1.556 17613 4403 1 7 . 1 1 4 4 LEU H H 4 9.081 9.081 8.555 0.526 17613 4404 1 7 . 1 1 5 5 ILE N N 5 123.010 123.010 124.232 -1.222 17613 4405 1 7 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.469 0.364 17613 4406 1 7 . 1 1 5 5 ILE C C 5 173.357 173.357 175.078 -1.721 17613 4407 1 7 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.202 1.342 17613 4408 1 7 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.691 2.841 17613 4409 1 7 . 1 1 5 5 ILE H H 5 8.765 8.765 8.222 0.543 17613 4410 1 7 . 1 1 6 6 LEU N N 6 129.320 129.320 130.108 -0.788 17613 4411 1 7 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.261 0.085 17613 4412 1 7 . 1 1 6 6 LEU C C 6 174.795 174.795 175.432 -0.637 17613 4413 1 7 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.146 -0.146 17613 4414 1 7 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.907 0.621 17613 4415 1 7 . 1 1 6 6 LEU H H 6 9.235 9.235 8.132 1.103 17613 4416 1 7 . 1 1 7 7 ILE N N 7 120.746 120.746 124.718 -3.972 17613 4417 1 7 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.783 0.398 17613 4418 1 7 . 1 1 7 7 ILE C C 7 173.819 173.819 173.841 -0.022 17613 4419 1 7 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.462 -2.247 17613 4420 1 7 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.790 -1.636 17613 4421 1 7 . 1 1 7 7 ILE H H 7 8.931 8.931 8.930 0.001 17613 4422 1 7 . 1 1 8 8 ASN N N 8 125.539 125.539 125.729 -0.190 17613 4423 1 7 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.311 0.591 17613 4424 1 7 . 1 1 8 8 ASN C C 8 176.478 176.478 173.709 2.769 17613 4425 1 7 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.935 -0.831 17613 4426 1 7 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.702 0.880 17613 4427 1 7 . 1 1 8 8 ASN H H 8 8.634 8.634 8.692 -0.058 17613 4428 1 7 . 1 1 9 9 THR N N 9 118.493 118.493 118.906 -0.413 17613 4429 1 7 . 1 1 9 9 THR HA H 9 4.739 4.739 4.799 -0.060 17613 4430 1 7 . 1 1 9 9 THR C C 9 170.114 170.114 174.616 -4.502 17613 4431 1 7 . 1 1 9 9 THR CA C 9 60.689 60.689 60.520 0.169 17613 4432 1 7 . 1 1 9 9 THR CB C 9 67.766 67.766 71.261 -3.495 17613 4433 1 7 . 1 1 9 9 THR H H 9 8.044 8.044 8.483 -0.439 17613 4434 1 7 . 1 1 10 10 ASN N N 10 123.266 123.266 124.695 -1.429 17613 4435 1 7 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.815 0.152 17613 4436 1 7 . 1 1 10 10 ASN C C 10 174.601 174.601 175.084 -0.483 17613 4437 1 7 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.149 -2.305 17613 4438 1 7 . 1 1 10 10 ASN CB C 10 39.316 39.316 38.989 0.327 17613 4439 1 7 . 1 1 10 10 ASN H H 10 8.440 8.440 8.990 -0.550 17613 4440 1 7 . 1 1 11 11 ASN N N 11 120.920 120.920 119.985 0.935 17613 4441 1 7 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.830 -0.137 17613 4442 1 7 . 1 1 11 11 ASN C C 11 174.333 174.333 174.617 -0.284 17613 4443 1 7 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.482 -0.046 17613 4444 1 7 . 1 1 11 11 ASN CB C 11 38.349 38.349 38.675 -0.326 17613 4445 1 7 . 1 1 11 11 ASN H H 11 8.366 8.366 7.768 0.598 17613 4446 1 7 . 1 1 12 12 ASP N N 12 126.315 126.315 123.716 2.599 17613 4447 1 7 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.320 -0.047 17613 4448 1 7 . 1 1 12 12 ASP C C 12 178.089 178.089 177.541 0.548 17613 4449 1 7 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.437 0.172 17613 4450 1 7 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.962 0.199 17613 4451 1 7 . 1 1 12 12 ASP H H 12 8.586 8.586 8.802 -0.216 17613 4452 1 7 . 1 1 13 13 GLU N N 13 119.325 119.325 120.694 -1.369 17613 4453 1 7 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.016 0.010 17613 4454 1 7 . 1 1 13 13 GLU C C 13 178.893 178.893 178.383 0.510 17613 4455 1 7 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.277 -0.271 17613 4456 1 7 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.263 -0.554 17613 4457 1 7 . 1 1 13 13 GLU H H 13 8.289 8.289 8.479 -0.190 17613 4458 1 7 . 1 1 14 14 LEU N N 14 121.683 121.683 119.064 2.619 17613 4459 1 7 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.096 -0.111 17613 4460 1 7 . 1 1 14 14 LEU C C 14 178.309 178.309 179.110 -0.801 17613 4461 1 7 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.969 0.291 17613 4462 1 7 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.909 -0.804 17613 4463 1 7 . 1 1 14 14 LEU H H 14 7.577 7.577 7.492 0.085 17613 4464 1 7 . 1 1 15 15 ILE N N 15 119.483 119.483 119.591 -0.108 17613 4465 1 7 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.512 -0.293 17613 4466 1 7 . 1 1 15 15 ILE C C 15 177.138 177.138 177.883 -0.745 17613 4467 1 7 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.737 0.853 17613 4468 1 7 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.553 -0.129 17613 4469 1 7 . 1 1 15 15 ILE H H 15 8.238 8.238 7.649 0.589 17613 4470 1 7 . 1 1 16 16 LYS N N 16 117.596 117.596 118.802 -1.206 17613 4471 1 7 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.031 -0.188 17613 4472 1 7 . 1 1 16 16 LYS C C 16 179.577 179.577 178.975 0.602 17613 4473 1 7 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.378 0.791 17613 4474 1 7 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.079 0.085 17613 4475 1 7 . 1 1 16 16 LYS H H 16 7.604 7.604 7.800 -0.196 17613 4476 1 7 . 1 1 17 17 LYS N N 17 118.832 118.832 120.028 -1.196 17613 4477 1 7 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.071 -0.079 17613 4478 1 7 . 1 1 17 17 LYS C C 17 179.380 179.380 179.065 0.315 17613 4479 1 7 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.561 0.279 17613 4480 1 7 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.434 0.630 17613 4481 1 7 . 1 1 17 17 LYS H H 17 7.583 7.583 7.637 -0.054 17613 4482 1 7 . 1 1 18 18 ILE N N 18 120.961 120.961 120.455 0.506 17613 4483 1 7 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.623 -0.251 17613 4484 1 7 . 1 1 18 18 ILE C C 18 176.967 176.967 177.499 -0.532 17613 4485 1 7 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.665 -0.190 17613 4486 1 7 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.797 -0.241 17613 4487 1 7 . 1 1 18 18 ILE H H 18 8.785 8.785 8.233 0.552 17613 4488 1 7 . 1 1 19 19 LYS N N 19 118.324 118.324 119.333 -1.009 17613 4489 1 7 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.919 -0.239 17613 4490 1 7 . 1 1 19 19 LYS C C 19 177.746 177.746 179.269 -1.523 17613 4491 1 7 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.840 1.013 17613 4492 1 7 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.099 0.227 17613 4493 1 7 . 1 1 19 19 LYS H H 19 8.532 8.532 7.787 0.745 17613 4494 1 7 . 1 1 20 20 LYS N N 20 116.284 116.284 119.525 -3.241 17613 4495 1 7 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.120 -0.033 17613 4496 1 7 . 1 1 20 20 LYS C C 20 178.406 178.406 179.083 -0.677 17613 4497 1 7 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.594 -0.055 17613 4498 1 7 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.918 0.063 17613 4499 1 7 . 1 1 20 20 LYS H H 20 7.303 7.303 7.640 -0.337 17613 4500 1 7 . 1 1 21 21 GLU N N 21 118.488 118.488 119.046 -0.558 17613 4501 1 7 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.021 -0.058 17613 4502 1 7 . 1 1 21 21 GLU C C 21 179.088 179.088 179.377 -0.289 17613 4503 1 7 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.329 -0.435 17613 4504 1 7 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.515 -0.081 17613 4505 1 7 . 1 1 21 21 GLU H H 21 7.665 7.665 7.997 -0.332 17613 4506 1 7 . 1 1 22 22 VAL N N 22 109.032 109.032 114.053 -5.021 17613 4507 1 7 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.170 -0.038 17613 4508 1 7 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.580 -1.781 17613 4509 1 7 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.342 -1.513 17613 4510 1 7 . 1 1 22 22 VAL H H 22 8.037 8.037 8.116 -0.079 17613 4511 1 7 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.545 0.172 17613 4512 1 7 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.622 3.186 17613 4513 1 7 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.420 -0.249 17613 4514 1 7 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.504 0.142 17613 4515 1 7 . 1 1 25 25 GLN C C 25 175.692 175.692 176.651 -0.959 17613 4516 1 7 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.298 0.720 17613 4517 1 7 . 1 1 26 26 GLY N N 26 106.368 106.368 107.466 -1.098 17613 4518 1 7 . 1 1 26 26 GLY C C 26 174.382 174.382 173.967 0.415 17613 4519 1 7 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.343 0.615 17613 4520 1 7 . 1 1 26 26 GLY H H 26 8.020 8.020 7.705 0.315 17613 4521 1 7 . 1 1 27 27 TYR N N 27 119.082 119.082 119.703 -0.621 17613 4522 1 7 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.836 -0.403 17613 4523 1 7 . 1 1 27 27 TYR C C 27 174.528 174.528 175.237 -0.709 17613 4524 1 7 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.542 0.512 17613 4525 1 7 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.344 -0.340 17613 4526 1 7 . 1 1 27 27 TYR H H 27 7.845 7.845 8.289 -0.444 17613 4527 1 7 . 1 1 28 28 GLN N N 28 120.362 120.362 123.811 -3.449 17613 4528 1 7 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.555 -0.056 17613 4529 1 7 . 1 1 28 28 GLN C C 28 174.625 174.625 174.642 -0.017 17613 4530 1 7 . 1 1 28 28 GLN CA C 28 54.380 54.380 54.929 -0.549 17613 4531 1 7 . 1 1 28 28 GLN CB C 28 30.455 30.455 29.422 1.033 17613 4532 1 7 . 1 1 28 28 GLN H H 28 8.338 8.338 8.221 0.117 17613 4533 1 7 . 1 1 29 29 VAL N N 29 123.482 123.482 124.045 -0.563 17613 4534 1 7 . 1 1 29 29 VAL HA H 29 5.043 5.043 5.037 0.006 17613 4535 1 7 . 1 1 29 29 VAL C C 29 175.820 175.820 176.476 -0.656 17613 4536 1 7 . 1 1 29 29 VAL CA C 29 61.488 61.488 60.865 0.622 17613 4537 1 7 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.672 -0.199 17613 4538 1 7 . 1 1 29 29 VAL H H 29 8.776 8.776 8.513 0.263 17613 4539 1 7 . 1 1 30 30 ARG N N 30 127.787 127.787 125.403 2.384 17613 4540 1 7 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.603 0.137 17613 4541 1 7 . 1 1 30 30 ARG C C 30 173.332 173.332 174.776 -1.444 17613 4542 1 7 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.196 0.592 17613 4543 1 7 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.498 0.893 17613 4544 1 7 . 1 1 30 30 ARG H H 30 9.135 9.135 8.864 0.271 17613 4545 1 7 . 1 1 31 31 ASP N N 31 121.895 121.895 125.629 -3.734 17613 4546 1 7 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.163 0.047 17613 4547 1 7 . 1 1 31 31 ASP C C 31 175.282 175.282 175.967 -0.685 17613 4548 1 7 . 1 1 31 31 ASP CA C 31 53.370 53.370 54.635 -1.265 17613 4549 1 7 . 1 1 31 31 ASP CB C 31 42.722 42.722 41.505 1.217 17613 4550 1 7 . 1 1 31 31 ASP H H 31 8.377 8.377 8.649 -0.272 17613 4551 1 7 . 1 1 32 32 VAL N N 32 120.426 120.426 125.097 -4.671 17613 4552 1 7 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.350 -0.102 17613 4553 1 7 . 1 1 32 32 VAL C C 32 174.114 174.114 174.413 -0.299 17613 4554 1 7 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.394 0.163 17613 4555 1 7 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.067 0.817 17613 4556 1 7 . 1 1 32 32 VAL H H 32 8.441 8.441 8.808 -0.367 17613 4557 1 7 . 1 1 33 33 ASN N N 33 122.700 122.700 122.471 0.229 17613 4558 1 7 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.811 0.166 17613 4559 1 7 . 1 1 33 33 ASN C C 33 174.235 174.235 173.857 0.378 17613 4560 1 7 . 1 1 33 33 ASN CA C 33 53.396 53.396 52.531 0.865 17613 4561 1 7 . 1 1 33 33 ASN CB C 33 40.869 40.869 39.850 1.019 17613 4562 1 7 . 1 1 33 33 ASN H H 33 9.550 9.550 8.904 0.646 17613 4563 1 7 . 1 1 34 34 ASP N N 34 114.885 114.885 119.075 -4.190 17613 4564 1 7 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.709 -0.006 17613 4565 1 7 . 1 1 34 34 ASP C C 34 175.626 175.626 176.702 -1.076 17613 4566 1 7 . 1 1 34 34 ASP CA C 34 53.483 53.483 53.345 0.138 17613 4567 1 7 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.050 -0.654 17613 4568 1 7 . 1 1 34 34 ASP H H 34 7.616 7.616 7.703 -0.087 17613 4569 1 7 . 1 1 35 35 SER N N 35 114.381 114.381 119.200 -4.819 17613 4570 1 7 . 1 1 35 35 SER HA H 35 4.046 4.046 4.196 -0.150 17613 4571 1 7 . 1 1 35 35 SER C C 35 175.991 175.991 175.997 -0.006 17613 4572 1 7 . 1 1 35 35 SER CA C 35 61.446 61.446 61.473 -0.027 17613 4573 1 7 . 1 1 35 35 SER CB C 35 62.764 62.764 63.349 -0.585 17613 4574 1 7 . 1 1 35 35 SER H H 35 8.869 8.869 8.915 -0.046 17613 4575 1 7 . 1 1 36 36 ASP N N 36 124.695 124.695 121.572 3.123 17613 4576 1 7 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.443 0.076 17613 4577 1 7 . 1 1 36 36 ASP C C 36 179.136 179.136 178.683 0.453 17613 4578 1 7 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.412 0.256 17613 4579 1 7 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.546 -0.262 17613 4580 1 7 . 1 1 36 36 ASP H H 36 8.388 8.388 7.981 0.407 17613 4581 1 7 . 1 1 37 37 GLU N N 37 122.449 122.449 119.997 2.452 17613 4582 1 7 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.095 -0.036 17613 4583 1 7 . 1 1 37 37 GLU C C 37 178.698 178.698 178.914 -0.216 17613 4584 1 7 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.841 0.368 17613 4585 1 7 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.438 0.283 17613 4586 1 7 . 1 1 37 37 GLU H H 37 9.009 9.009 8.000 1.009 17613 4587 1 7 . 1 1 38 38 LEU N N 38 119.580 119.580 121.880 -2.300 17613 4588 1 7 . 1 1 38 38 LEU HA H 38 3.911 3.911 4.002 -0.091 17613 4589 1 7 . 1 1 38 38 LEU C C 38 177.649 177.649 178.887 -1.238 17613 4590 1 7 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.353 0.780 17613 4591 1 7 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.032 -0.963 17613 4592 1 7 . 1 1 38 38 LEU H H 38 8.203 8.203 7.767 0.436 17613 4593 1 7 . 1 1 39 39 LYS N N 39 118.404 118.404 118.207 0.197 17613 4594 1 7 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.989 -0.148 17613 4595 1 7 . 1 1 39 39 LYS C C 39 179.577 179.577 179.227 0.350 17613 4596 1 7 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.870 -0.004 17613 4597 1 7 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.337 -0.289 17613 4598 1 7 . 1 1 39 39 LYS H H 39 7.829 7.829 7.980 -0.151 17613 4599 1 7 . 1 1 40 40 LYS N N 40 119.271 119.271 118.727 0.544 17613 4600 1 7 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.064 -0.042 17613 4601 1 7 . 1 1 40 40 LYS C C 40 179.577 179.577 179.165 0.412 17613 4602 1 7 . 1 1 40 40 LYS CA C 40 59.590 59.590 59.709 -0.119 17613 4603 1 7 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.195 0.205 17613 4604 1 7 . 1 1 40 40 LYS H H 40 7.779 7.779 7.937 -0.158 17613 4605 1 7 . 1 1 41 41 GLU N N 41 119.647 119.647 121.092 -1.445 17613 4606 1 7 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.132 0.131 17613 4607 1 7 . 1 1 41 41 GLU C C 41 179.504 179.504 178.769 0.735 17613 4608 1 7 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.878 -0.804 17613 4609 1 7 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.144 -0.898 17613 4610 1 7 . 1 1 41 41 GLU H H 41 8.721 8.721 8.139 0.582 17613 4611 1 7 . 1 1 42 42 MET N N 42 118.114 118.114 117.985 0.129 17613 4612 1 7 . 1 1 42 42 MET HA H 42 4.383 4.383 4.305 0.078 17613 4613 1 7 . 1 1 42 42 MET C C 42 179.185 179.185 178.744 0.441 17613 4614 1 7 . 1 1 42 42 MET CA C 42 57.054 57.054 56.896 0.158 17613 4615 1 7 . 1 1 42 42 MET CB C 42 31.254 31.254 31.451 -0.197 17613 4616 1 7 . 1 1 42 42 MET H H 42 8.779 8.779 7.747 1.032 17613 4617 1 7 . 1 1 43 43 LYS N N 43 120.740 120.740 120.125 0.615 17613 4618 1 7 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.050 0.038 17613 4619 1 7 . 1 1 43 43 LYS C C 43 178.187 178.187 178.781 -0.594 17613 4620 1 7 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.586 -0.196 17613 4621 1 7 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.660 0.302 17613 4622 1 7 . 1 1 43 43 LYS H H 43 7.499 7.499 7.836 -0.337 17613 4623 1 7 . 1 1 44 44 LYS N N 44 118.269 118.269 119.413 -1.144 17613 4624 1 7 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.117 -0.056 17613 4625 1 7 . 1 1 44 44 LYS C C 44 179.601 179.601 179.331 0.270 17613 4626 1 7 . 1 1 44 44 LYS CA C 44 59.500 59.500 59.572 -0.072 17613 4627 1 7 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.156 -0.086 17613 4628 1 7 . 1 1 44 44 LYS H H 44 7.445 7.445 7.678 -0.233 17613 4629 1 7 . 1 1 45 45 LEU N N 45 117.785 117.785 119.775 -1.990 17613 4630 1 7 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.226 -0.078 17613 4631 1 7 . 1 1 45 45 LEU C C 45 178.357 178.357 179.849 -1.492 17613 4632 1 7 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.612 -0.425 17613 4633 1 7 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.975 -0.202 17613 4634 1 7 . 1 1 45 45 LEU H H 45 8.161 8.161 8.288 -0.127 17613 4635 1 7 . 1 1 46 46 ALA N N 46 118.538 118.538 121.963 -3.425 17613 4636 1 7 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.332 -0.080 17613 4637 1 7 . 1 1 46 46 ALA C C 46 178.893 178.893 179.619 -0.726 17613 4638 1 7 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.281 -0.609 17613 4639 1 7 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.785 0.097 17613 4640 1 7 . 1 1 46 46 ALA H H 46 7.637 7.637 7.849 -0.212 17613 4641 1 7 . 1 1 47 47 GLU N N 47 115.492 115.492 116.319 -0.827 17613 4642 1 7 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.174 0.076 17613 4643 1 7 . 1 1 47 47 GLU C C 47 176.478 176.478 176.588 -0.110 17613 4644 1 7 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.456 -0.525 17613 4645 1 7 . 1 1 47 47 GLU CB C 47 30.417 30.417 29.913 0.504 17613 4646 1 7 . 1 1 47 47 GLU H H 47 7.713 7.713 7.967 -0.254 17613 4647 1 7 . 1 1 48 48 GLU N N 48 120.573 120.573 114.229 6.344 17613 4648 1 7 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.155 0.218 17613 4649 1 7 . 1 1 48 48 GLU C C 48 173.624 173.624 176.036 -2.412 17613 4650 1 7 . 1 1 48 48 GLU CA C 48 56.021 56.021 57.990 -1.969 17613 4651 1 7 . 1 1 48 48 GLU CB C 48 29.910 29.910 27.376 2.534 17613 4652 1 7 . 1 1 48 48 GLU H H 48 7.748 7.748 8.069 -0.321 17613 4653 1 7 . 1 1 49 49 LYS N N 49 124.420 124.420 118.255 6.165 17613 4654 1 7 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.170 0.148 17613 4655 1 7 . 1 1 49 49 LYS C C 49 176.843 176.843 176.893 -0.050 17613 4656 1 7 . 1 1 49 49 LYS CA C 49 56.517 56.517 57.862 -1.345 17613 4657 1 7 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.938 -0.476 17613 4658 1 7 . 1 1 49 49 LYS H H 49 8.607 8.607 7.614 0.993 17613 4659 1 7 . 1 1 50 50 ASN N N 50 117.993 117.993 119.523 -1.530 17613 4660 1 7 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.854 -0.230 17613 4661 1 7 . 1 1 50 50 ASN C C 50 176.454 176.454 174.737 1.717 17613 4662 1 7 . 1 1 50 50 ASN CA C 50 53.555 53.555 51.579 1.976 17613 4663 1 7 . 1 1 50 50 ASN CB C 50 39.036 39.036 37.876 1.160 17613 4664 1 7 . 1 1 50 50 ASN H H 50 8.723 8.723 7.904 0.819 17613 4665 1 7 . 1 1 51 51 PHE N N 51 120.700 120.700 123.925 -3.225 17613 4666 1 7 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.359 0.399 17613 4667 1 7 . 1 1 51 51 PHE CA C 51 57.935 57.935 58.720 -0.785 17613 4668 1 7 . 1 1 51 51 PHE CB C 51 38.975 38.975 39.790 -0.815 17613 4669 1 7 . 1 1 51 51 PHE H H 51 8.341 8.341 8.472 -0.131 17613 4670 1 7 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.018 0.240 17613 4671 1 7 . 1 1 52 52 GLU C C 52 173.600 173.600 176.015 -2.415 17613 4672 1 7 . 1 1 52 52 GLU CA C 52 56.254 56.254 56.540 -0.286 17613 4673 1 7 . 1 1 52 52 GLU CB C 52 33.459 33.459 30.204 3.255 17613 4674 1 7 . 1 1 53 53 LYS N N 53 119.964 119.964 124.050 -4.086 17613 4675 1 7 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.124 0.565 17613 4676 1 7 . 1 1 53 53 LYS C C 53 174.430 174.430 175.406 -0.976 17613 4677 1 7 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.177 0.179 17613 4678 1 7 . 1 1 53 53 LYS CB C 53 31.445 31.445 30.572 0.873 17613 4679 1 7 . 1 1 53 53 LYS H H 53 7.962 7.962 8.436 -0.474 17613 4680 1 7 . 1 1 54 54 ILE N N 54 124.730 124.730 124.847 -0.117 17613 4681 1 7 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.743 0.103 17613 4682 1 7 . 1 1 54 54 ILE C C 54 173.089 173.089 175.616 -2.527 17613 4683 1 7 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.377 0.887 17613 4684 1 7 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.194 3.760 17613 4685 1 7 . 1 1 54 54 ILE H H 54 8.804 8.804 8.200 0.604 17613 4686 1 7 . 1 1 55 55 LEU N N 55 130.086 130.086 129.632 0.454 17613 4687 1 7 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.832 0.809 17613 4688 1 7 . 1 1 55 55 LEU C C 55 174.430 174.430 175.337 -0.907 17613 4689 1 7 . 1 1 55 55 LEU CA C 55 53.502 53.502 54.206 -0.704 17613 4690 1 7 . 1 1 55 55 LEU CB C 55 45.202 45.202 43.938 1.264 17613 4691 1 7 . 1 1 55 55 LEU H H 55 9.103 9.103 8.246 0.857 17613 4692 1 7 . 1 1 56 56 ILE N N 56 125.983 125.983 127.120 -1.137 17613 4693 1 7 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.606 0.451 17613 4694 1 7 . 1 1 56 56 ILE C C 56 174.089 174.089 175.082 -0.993 17613 4695 1 7 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.977 0.133 17613 4696 1 7 . 1 1 56 56 ILE CB C 56 39.823 39.823 37.804 2.019 17613 4697 1 7 . 1 1 56 56 ILE H H 56 9.182 9.182 8.649 0.533 17613 4698 1 7 . 1 1 57 57 ILE N N 57 127.241 127.241 129.483 -2.242 17613 4699 1 7 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.809 0.103 17613 4700 1 7 . 1 1 57 57 ILE C C 57 174.869 174.869 175.178 -0.309 17613 4701 1 7 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.591 -1.336 17613 4702 1 7 . 1 1 57 57 ILE CB C 57 38.951 38.951 38.971 -0.020 17613 4703 1 7 . 1 1 57 57 ILE H H 57 8.541 8.541 8.426 0.115 17613 4704 1 7 . 1 1 58 58 SER N N 58 119.270 119.270 123.423 -4.153 17613 4705 1 7 . 1 1 58 58 SER HA H 58 5.007 5.007 5.286 -0.279 17613 4706 1 7 . 1 1 58 58 SER C C 58 174.211 174.211 174.886 -0.675 17613 4707 1 7 . 1 1 58 58 SER CA C 58 56.727 56.727 56.136 0.591 17613 4708 1 7 . 1 1 58 58 SER CB C 58 66.615 66.615 64.907 1.708 17613 4709 1 7 . 1 1 58 58 SER H H 58 8.810 8.810 8.080 0.730 17613 4710 1 7 . 1 1 59 59 ASN N N 59 122.382 122.382 125.892 -3.510 17613 4711 1 7 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.608 0.103 17613 4712 1 7 . 1 1 59 59 ASN C C 59 174.795 174.795 175.426 -0.631 17613 4713 1 7 . 1 1 59 59 ASN CA C 59 52.507 52.507 55.297 -2.790 17613 4714 1 7 . 1 1 59 59 ASN CB C 59 38.962 38.962 38.969 -0.007 17613 4715 1 7 . 1 1 59 59 ASN H H 59 8.794 8.794 8.507 0.287 17613 4716 1 7 . 1 1 60 60 ASP N N 60 119.744 119.744 119.228 0.516 17613 4717 1 7 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.759 0.104 17613 4718 1 7 . 1 1 60 60 ASP C C 60 176.015 176.015 176.419 -0.404 17613 4719 1 7 . 1 1 60 60 ASP CA C 60 53.097 53.097 53.102 -0.005 17613 4720 1 7 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.947 0.002 17613 4721 1 7 . 1 1 60 60 ASP H H 60 7.857 7.857 7.677 0.180 17613 4722 1 7 . 1 1 61 61 LYS N N 61 125.818 125.818 124.927 0.891 17613 4723 1 7 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.167 -0.445 17613 4724 1 7 . 1 1 61 61 LYS C C 61 177.673 177.673 178.311 -0.638 17613 4725 1 7 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.508 0.124 17613 4726 1 7 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.435 -0.917 17613 4727 1 7 . 1 1 61 61 LYS H H 61 8.904 8.904 8.678 0.226 17613 4728 1 7 . 1 1 62 62 GLN N N 62 118.918 118.918 120.523 -1.605 17613 4729 1 7 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.200 -0.095 17613 4730 1 7 . 1 1 62 62 GLN C C 62 178.747 178.747 177.784 0.963 17613 4731 1 7 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.605 -0.305 17613 4732 1 7 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.988 -0.540 17613 4733 1 7 . 1 1 62 62 GLN H H 62 8.434 8.434 7.762 0.672 17613 4734 1 7 . 1 1 63 63 LEU N N 63 120.071 120.071 120.030 0.041 17613 4735 1 7 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.057 0.077 17613 4736 1 7 . 1 1 63 63 LEU C C 63 178.552 178.552 179.077 -0.525 17613 4737 1 7 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.527 -0.884 17613 4738 1 7 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.649 -0.755 17613 4739 1 7 . 1 1 63 63 LEU H H 63 7.671 7.671 8.171 -0.500 17613 4740 1 7 . 1 1 64 64 LEU N N 64 117.705 117.705 120.523 -2.818 17613 4741 1 7 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.919 -0.012 17613 4742 1 7 . 1 1 64 64 LEU C C 64 172.526 172.526 178.281 -5.755 17613 4743 1 7 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.437 -0.659 17613 4744 1 7 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.828 -0.478 17613 4745 1 7 . 1 1 64 64 LEU H H 64 7.626 7.626 7.833 -0.207 17613 4746 1 7 . 1 1 65 65 LYS N N 65 118.311 118.311 119.297 -0.986 17613 4747 1 7 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.895 -0.101 17613 4748 1 7 . 1 1 65 65 LYS C C 65 178.479 178.479 178.971 -0.492 17613 4749 1 7 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.114 0.112 17613 4750 1 7 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.250 0.016 17613 4751 1 7 . 1 1 65 65 LYS H H 65 8.038 8.038 7.726 0.312 17613 4752 1 7 . 1 1 66 66 GLU N N 66 119.362 119.362 118.025 1.337 17613 4753 1 7 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.076 -0.050 17613 4754 1 7 . 1 1 66 66 GLU C C 66 178.893 178.893 179.135 -0.242 17613 4755 1 7 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.698 0.421 17613 4756 1 7 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.079 0.183 17613 4757 1 7 . 1 1 66 66 GLU H H 66 7.803 7.803 8.086 -0.283 17613 4758 1 7 . 1 1 67 67 MET N N 67 118.398 118.398 120.561 -2.163 17613 4759 1 7 . 1 1 67 67 MET HA H 67 3.948 3.948 4.119 -0.171 17613 4760 1 7 . 1 1 67 67 MET C C 67 177.527 177.527 178.122 -0.595 17613 4761 1 7 . 1 1 67 67 MET CA C 67 59.963 59.963 58.447 1.516 17613 4762 1 7 . 1 1 67 67 MET CB C 67 33.443 33.443 32.406 1.037 17613 4763 1 7 . 1 1 67 67 MET H H 67 8.394 8.394 7.930 0.464 17613 4764 1 7 . 1 1 68 68 LEU N N 68 118.269 118.269 117.688 0.581 17613 4765 1 7 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.871 -0.092 17613 4766 1 7 . 1 1 68 68 LEU C C 68 178.869 178.869 179.340 -0.471 17613 4767 1 7 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.440 0.501 17613 4768 1 7 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.132 -0.257 17613 4769 1 7 . 1 1 68 68 LEU H H 68 8.471 8.471 7.918 0.553 17613 4770 1 7 . 1 1 69 69 GLU N N 69 118.681 118.681 119.972 -1.291 17613 4771 1 7 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.114 -0.059 17613 4772 1 7 . 1 1 69 69 GLU C C 69 179.063 179.063 179.282 -0.219 17613 4773 1 7 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.498 -0.075 17613 4774 1 7 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.743 -0.603 17613 4775 1 7 . 1 1 69 69 GLU H H 69 7.627 7.627 8.351 -0.724 17613 4776 1 7 . 1 1 70 70 LEU N N 70 119.503 119.503 120.690 -1.187 17613 4777 1 7 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.043 0.118 17613 4778 1 7 . 1 1 70 70 LEU C C 70 179.699 179.699 179.041 0.658 17613 4779 1 7 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.883 -0.109 17613 4780 1 7 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.020 -0.076 17613 4781 1 7 . 1 1 70 70 LEU H H 70 7.717 7.717 7.890 -0.173 17613 4782 1 7 . 1 1 71 71 ILE N N 71 116.791 116.791 118.854 -2.063 17613 4783 1 7 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.664 0.073 17613 4784 1 7 . 1 1 71 71 ILE C C 71 178.357 178.357 178.120 0.237 17613 4785 1 7 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.180 -0.938 17613 4786 1 7 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.707 0.194 17613 4787 1 7 . 1 1 71 71 ILE H H 71 8.598 8.598 8.208 0.390 17613 4788 1 7 . 1 1 72 72 SER N N 72 116.517 116.517 115.311 1.206 17613 4789 1 7 . 1 1 72 72 SER HA H 72 4.365 4.365 4.257 0.108 17613 4790 1 7 . 1 1 72 72 SER C C 72 176.845 176.845 176.125 0.720 17613 4791 1 7 . 1 1 72 72 SER CA C 72 61.365 61.365 61.095 0.270 17613 4792 1 7 . 1 1 72 72 SER CB C 72 62.780 62.780 63.131 -0.351 17613 4793 1 7 . 1 1 72 72 SER H H 72 8.023 8.023 7.932 0.091 17613 4794 1 7 . 1 1 73 73 LYS N N 73 120.731 120.731 120.919 -0.188 17613 4795 1 7 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.052 0.239 17613 4796 1 7 . 1 1 73 73 LYS C C 73 177.771 177.771 178.262 -0.491 17613 4797 1 7 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.657 -1.181 17613 4798 1 7 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.509 -0.363 17613 4799 1 7 . 1 1 73 73 LYS H H 73 7.723 7.723 7.382 0.341 17613 4800 1 7 . 1 1 74 74 LEU N N 74 117.572 117.572 116.397 1.175 17613 4801 1 7 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.089 0.138 17613 4802 1 7 . 1 1 74 74 LEU C C 74 177.332 177.332 177.422 -0.090 17613 4803 1 7 . 1 1 74 74 LEU CA C 74 55.199 55.199 54.975 0.224 17613 4804 1 7 . 1 1 74 74 LEU CB C 74 41.486 41.486 41.964 -0.478 17613 4805 1 7 . 1 1 74 74 LEU H H 74 7.609 7.609 7.474 0.135 17613 4806 1 7 . 1 1 75 75 GLY N N 75 105.991 105.991 105.724 0.267 17613 4807 1 7 . 1 1 75 75 GLY C C 75 174.771 174.771 174.675 0.096 17613 4808 1 7 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.443 0.399 17613 4809 1 7 . 1 1 75 75 GLY H H 75 7.925 7.925 7.649 0.276 17613 4810 1 7 . 1 1 76 76 TYR N N 76 118.452 118.452 118.133 0.319 17613 4811 1 7 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.421 0.357 17613 4812 1 7 . 1 1 76 76 TYR C C 76 175.234 175.234 176.044 -0.810 17613 4813 1 7 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.954 -1.450 17613 4814 1 7 . 1 1 76 76 TYR CB C 76 37.962 37.962 39.026 -1.065 17613 4815 1 7 . 1 1 76 76 TYR H H 76 7.366 7.366 7.396 -0.030 17613 4816 1 7 . 1 1 77 77 LYS N N 77 122.866 122.866 122.954 -0.088 17613 4817 1 7 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.372 0.176 17613 4818 1 7 . 1 1 77 77 LYS C C 77 174.138 174.138 175.101 -0.963 17613 4819 1 7 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.892 -0.822 17613 4820 1 7 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.604 -0.387 17613 4821 1 7 . 1 1 77 77 LYS H H 77 8.290 8.290 8.327 -0.037 17613 4822 1 7 . 1 1 78 78 VAL N N 78 124.071 124.071 125.300 -1.229 17613 4823 1 7 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.910 0.256 17613 4824 1 7 . 1 1 78 78 VAL C C 78 174.162 174.162 174.498 -0.336 17613 4825 1 7 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.788 -0.559 17613 4826 1 7 . 1 1 78 78 VAL CB C 78 34.355 34.355 35.196 -0.841 17613 4827 1 7 . 1 1 78 78 VAL H H 78 7.830 7.830 8.357 -0.527 17613 4828 1 7 . 1 1 79 79 PHE N N 79 126.174 126.174 124.621 1.553 17613 4829 1 7 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.673 -0.106 17613 4830 1 7 . 1 1 79 79 PHE C C 79 173.357 173.357 174.407 -1.050 17613 4831 1 7 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.256 -0.303 17613 4832 1 7 . 1 1 79 79 PHE CB C 79 40.184 40.184 39.943 0.241 17613 4833 1 7 . 1 1 79 79 PHE H H 79 8.374 8.374 8.066 0.308 17613 4834 1 7 . 1 1 80 80 LEU N N 80 123.959 123.959 125.796 -1.837 17613 4835 1 7 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.473 0.073 17613 4836 1 7 . 1 1 80 80 LEU C C 80 173.503 173.503 174.933 -1.430 17613 4837 1 7 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.907 1.091 17613 4838 1 7 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.409 0.258 17613 4839 1 7 . 1 1 80 80 LEU H H 80 8.601 8.601 8.567 0.034 17613 4840 1 7 . 1 1 81 81 LEU N N 81 126.694 126.694 127.682 -0.988 17613 4841 1 7 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.159 0.110 17613 4842 1 7 . 1 1 81 81 LEU C C 81 173.649 173.649 174.497 -0.848 17613 4843 1 7 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.836 -0.772 17613 4844 1 7 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.627 0.150 17613 4845 1 7 . 1 1 81 81 LEU H H 81 9.063 9.063 8.655 0.408 17613 4846 1 7 . 1 1 82 82 LEU N N 82 124.888 124.888 127.546 -2.658 17613 4847 1 7 . 1 1 82 82 LEU HA H 82 4.911 4.911 5.087 -0.176 17613 4848 1 7 . 1 1 82 82 LEU C C 82 174.479 174.479 175.042 -0.563 17613 4849 1 7 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.620 -0.485 17613 4850 1 7 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.793 0.429 17613 4851 1 7 . 1 1 82 82 LEU H H 82 8.864 8.864 8.805 0.059 17613 4852 1 7 . 1 1 83 83 GLN N N 83 122.153 122.153 125.238 -3.085 17613 4853 1 7 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.141 0.119 17613 4854 1 7 . 1 1 83 83 GLN C C 83 174.333 174.333 174.827 -0.494 17613 4855 1 7 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.726 -0.140 17613 4856 1 7 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.833 -0.963 17613 4857 1 7 . 1 1 83 83 GLN H H 83 8.437 8.437 8.323 0.114 17613 4858 1 7 . 1 1 84 84 ASP N N 84 124.451 124.451 127.002 -2.551 17613 4859 1 7 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.986 -0.484 17613 4860 1 7 . 1 1 84 84 ASP C C 84 174.308 174.308 176.106 -1.798 17613 4861 1 7 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.580 0.435 17613 4862 1 7 . 1 1 84 84 ASP CB C 84 43.771 43.771 45.229 -1.458 17613 4863 1 7 . 1 1 84 84 ASP H H 84 8.205 8.205 8.521 -0.316 17613 4864 1 7 . 1 1 85 85 GLN N N 85 120.202 120.202 119.722 0.480 17613 4865 1 7 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.262 0.072 17613 4866 1 7 . 1 1 85 85 GLN C C 85 175.431 175.431 175.662 -0.231 17613 4867 1 7 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.042 -0.447 17613 4868 1 7 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.232 0.102 17613 4869 1 7 . 1 1 85 85 GLN H H 85 8.617 8.617 8.732 -0.115 17613 4870 1 7 . 1 1 86 86 ASP N N 86 120.508 120.508 122.269 -1.761 17613 4871 1 7 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.773 -0.088 17613 4872 1 7 . 1 1 86 86 ASP C C 86 175.747 175.747 176.102 -0.355 17613 4873 1 7 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.183 -0.671 17613 4874 1 7 . 1 1 86 86 ASP CB C 86 40.957 40.957 39.977 0.980 17613 4875 1 7 . 1 1 86 86 ASP H H 86 8.691 8.691 8.439 0.252 17613 4876 1 7 . 1 1 87 87 GLU N N 87 123.604 123.604 123.210 0.394 17613 4877 1 7 . 1 1 87 87 GLU HA H 87 4.035 4.035 3.927 0.108 17613 4878 1 7 . 1 1 87 87 GLU C C 87 177.771 177.771 177.653 0.118 17613 4879 1 7 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.627 -1.105 17613 4880 1 7 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.658 -0.083 17613 4881 1 7 . 1 1 87 87 GLU H H 87 8.642 8.642 8.127 0.515 17613 4882 1 7 . 1 1 88 88 ASN N N 88 118.838 118.838 117.701 1.137 17613 4883 1 7 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.430 0.131 17613 4884 1 7 . 1 1 88 88 ASN C C 88 177.089 177.089 177.381 -0.292 17613 4885 1 7 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.416 -0.774 17613 4886 1 7 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.993 0.173 17613 4887 1 7 . 1 1 88 88 ASN H H 88 8.527 8.527 8.724 -0.197 17613 4888 1 7 . 1 1 89 89 GLU N N 89 120.947 120.947 120.359 0.588 17613 4889 1 7 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.076 0.071 17613 4890 1 7 . 1 1 89 89 GLU C C 89 178.357 178.357 179.082 -0.725 17613 4891 1 7 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.983 -0.732 17613 4892 1 7 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.549 -0.305 17613 4893 1 7 . 1 1 89 89 GLU H H 89 8.221 8.221 7.794 0.427 17613 4894 1 7 . 1 1 90 90 LEU N N 90 119.582 119.582 121.435 -1.853 17613 4895 1 7 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.163 0.042 17613 4896 1 7 . 1 1 90 90 LEU C C 90 177.917 177.917 178.649 -0.732 17613 4897 1 7 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.897 -0.953 17613 4898 1 7 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.876 0.580 17613 4899 1 7 . 1 1 90 90 LEU H H 90 8.047 8.047 8.376 -0.329 17613 4900 1 7 . 1 1 91 91 GLU N N 91 119.029 119.029 118.974 0.055 17613 4901 1 7 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.013 0.060 17613 4902 1 7 . 1 1 91 91 GLU C C 91 178.284 178.284 178.750 -0.466 17613 4903 1 7 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.405 -0.276 17613 4904 1 7 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.073 -0.103 17613 4905 1 7 . 1 1 91 91 GLU H H 91 7.940 7.940 7.986 -0.046 17613 4906 1 7 . 1 1 92 92 GLU N N 92 118.667 118.667 119.424 -0.757 17613 4907 1 7 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.060 -0.028 17613 4908 1 7 . 1 1 92 92 GLU C C 92 178.103 178.103 179.264 -1.161 17613 4909 1 7 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.181 0.071 17613 4910 1 7 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.313 -0.381 17613 4911 1 7 . 1 1 92 92 GLU H H 92 8.088 8.088 7.648 0.440 17613 4912 1 7 . 1 1 93 93 PHE N N 93 120.118 120.118 120.077 0.041 17613 4913 1 7 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.254 0.086 17613 4914 1 7 . 1 1 93 93 PHE C C 93 176.894 176.894 177.508 -0.614 17613 4915 1 7 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.222 0.223 17613 4916 1 7 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.331 -0.344 17613 4917 1 7 . 1 1 93 93 PHE H H 93 8.103 8.103 8.192 -0.089 17613 4918 1 7 . 1 1 94 94 LYS N N 94 118.941 118.941 120.495 -1.554 17613 4919 1 7 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.851 -0.234 17613 4920 1 7 . 1 1 94 94 LYS C C 94 177.600 177.600 178.681 -1.081 17613 4921 1 7 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.505 0.571 17613 4922 1 7 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.546 -0.081 17613 4923 1 7 . 1 1 94 94 LYS H H 94 8.606 8.606 8.054 0.552 17613 4924 1 7 . 1 1 95 95 ARG N N 95 117.194 117.194 117.209 -0.015 17613 4925 1 7 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.149 0.001 17613 4926 1 7 . 1 1 95 95 ARG C C 95 179.404 179.404 179.132 0.272 17613 4927 1 7 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.869 0.234 17613 4928 1 7 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.709 0.110 17613 4929 1 7 . 1 1 95 95 ARG H H 95 8.159 8.159 7.917 0.242 17613 4930 1 7 . 1 1 96 96 LYS N N 96 119.582 119.582 119.620 -0.038 17613 4931 1 7 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.066 -0.001 17613 4932 1 7 . 1 1 96 96 LYS C C 96 179.034 179.034 178.701 0.333 17613 4933 1 7 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.170 -0.236 17613 4934 1 7 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.197 -0.128 17613 4935 1 7 . 1 1 96 96 LYS H H 96 7.786 7.786 7.642 0.144 17613 4936 1 7 . 1 1 97 97 ILE N N 97 118.550 118.550 117.552 0.998 17613 4937 1 7 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.880 0.058 17613 4938 1 7 . 1 1 97 97 ILE C C 97 178.284 178.284 177.246 1.038 17613 4939 1 7 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.479 -0.910 17613 4940 1 7 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.975 -0.769 17613 4941 1 7 . 1 1 97 97 ILE H H 97 7.831 7.831 7.296 0.535 17613 4942 1 7 . 1 1 98 98 GLU N N 98 121.984 121.984 120.453 1.531 17613 4943 1 7 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.284 0.052 17613 4944 1 7 . 1 1 98 98 GLU C C 98 180.040 180.040 179.075 0.965 17613 4945 1 7 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.706 0.244 17613 4946 1 7 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.681 -0.246 17613 4947 1 7 . 1 1 98 98 GLU H H 98 8.670 8.670 8.025 0.645 17613 4948 1 7 . 1 1 99 99 SER N N 99 115.499 115.499 115.072 0.427 17613 4949 1 7 . 1 1 99 99 SER HA H 99 4.343 4.343 4.272 0.071 17613 4950 1 7 . 1 1 99 99 SER C C 99 174.820 174.820 175.718 -0.898 17613 4951 1 7 . 1 1 99 99 SER CA C 99 60.410 60.410 60.261 0.149 17613 4952 1 7 . 1 1 99 99 SER CB C 99 62.680 62.680 62.866 -0.186 17613 4953 1 7 . 1 1 99 99 SER H H 99 8.099 8.099 7.734 0.365 17613 4954 1 7 . 1 1 100 100 GLN N N 100 119.301 119.301 118.121 1.180 17613 4955 1 7 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.225 0.085 17613 4956 1 7 . 1 1 100 100 GLN C C 100 175.857 175.857 175.693 0.164 17613 4957 1 7 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.562 0.364 17613 4958 1 7 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.578 0.634 17613 4959 1 7 . 1 1 100 100 GLN H H 100 7.623 7.623 7.316 0.307 17613 4960 1 7 . 1 1 101 101 GLY N N 101 105.765 105.765 107.124 -1.359 17613 4961 1 7 . 1 1 101 101 GLY C C 101 173.748 173.748 172.840 0.908 17613 4962 1 7 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.860 0.343 17613 4963 1 7 . 1 1 101 101 GLY H H 101 7.945 7.945 7.492 0.453 17613 4964 1 7 . 1 1 102 102 TYR N N 102 117.993 117.993 117.240 0.753 17613 4965 1 7 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.702 -0.030 17613 4966 1 7 . 1 1 102 102 TYR C C 102 174.747 174.747 174.778 -0.031 17613 4967 1 7 . 1 1 102 102 TYR CA C 102 56.254 56.254 55.752 0.502 17613 4968 1 7 . 1 1 102 102 TYR CB C 102 39.048 39.048 41.123 -2.075 17613 4969 1 7 . 1 1 102 102 TYR H H 102 6.890 6.890 7.288 -0.398 17613 4970 1 7 . 1 1 103 103 GLU N N 103 122.864 122.864 124.008 -1.144 17613 4971 1 7 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.395 0.112 17613 4972 1 7 . 1 1 103 103 GLU C C 103 174.162 174.162 175.163 -1.001 17613 4973 1 7 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.563 0.820 17613 4974 1 7 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.901 1.470 17613 4975 1 7 . 1 1 103 103 GLU H H 103 8.318 8.318 8.475 -0.157 17613 4976 1 7 . 1 1 104 104 VAL N N 104 124.342 124.342 126.655 -2.313 17613 4977 1 7 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.762 0.466 17613 4978 1 7 . 1 1 104 104 VAL C C 104 174.235 174.235 175.934 -1.699 17613 4979 1 7 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.525 -2.245 17613 4980 1 7 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.078 1.089 17613 4981 1 7 . 1 1 104 104 VAL H H 104 8.651 8.651 7.857 0.794 17613 4982 1 7 . 1 1 105 105 ARG N N 105 124.856 124.856 127.265 -2.409 17613 4983 1 7 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.802 0.113 17613 4984 1 7 . 1 1 105 105 ARG C C 105 173.917 173.917 175.152 -1.235 17613 4985 1 7 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.755 -1.290 17613 4986 1 7 . 1 1 105 105 ARG CB C 105 32.955 32.955 34.529 -1.574 17613 4987 1 7 . 1 1 105 105 ARG H H 105 8.705 8.705 9.035 -0.330 17613 4988 1 7 . 1 1 106 106 LYS N N 106 121.499 121.499 123.506 -2.007 17613 4989 1 7 . 1 1 106 106 LYS HA H 106 5.578 5.578 4.895 0.683 17613 4990 1 7 . 1 1 106 106 LYS C C 106 174.820 174.820 175.778 -0.958 17613 4991 1 7 . 1 1 106 106 LYS CA C 106 53.868 53.868 56.116 -2.248 17613 4992 1 7 . 1 1 106 106 LYS CB C 106 35.299 35.299 33.764 1.535 17613 4993 1 7 . 1 1 106 106 LYS H H 106 8.807 8.807 8.538 0.269 17613 4994 1 7 . 1 1 107 107 VAL N N 107 118.792 118.792 124.291 -5.499 17613 4995 1 7 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.474 0.141 17613 4996 1 7 . 1 1 107 107 VAL C C 107 173.332 173.332 174.277 -0.945 17613 4997 1 7 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.526 -0.304 17613 4998 1 7 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.964 -0.730 17613 4999 1 7 . 1 1 107 107 VAL H H 107 8.555 8.555 8.241 0.314 17613 5000 1 7 . 1 1 108 108 THR N N 108 114.072 114.072 120.902 -6.830 17613 5001 1 7 . 1 1 108 108 THR HA H 108 4.781 4.781 4.867 -0.086 17613 5002 1 7 . 1 1 108 108 THR C C 108 174.625 174.625 175.152 -0.527 17613 5003 1 7 . 1 1 108 108 THR CA C 108 62.221 62.221 62.078 0.143 17613 5004 1 7 . 1 1 108 108 THR CB C 108 69.975 69.975 69.979 -0.004 17613 5005 1 7 . 1 1 108 108 THR H H 108 8.604 8.604 8.459 0.145 17613 5006 1 7 . 1 1 109 109 ASP N N 109 122.574 122.574 123.829 -1.255 17613 5007 1 7 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.705 0.033 17613 5008 1 7 . 1 1 109 109 ASP C C 109 175.796 175.796 176.422 -0.626 17613 5009 1 7 . 1 1 109 109 ASP CA C 109 53.849 53.849 55.186 -1.337 17613 5010 1 7 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.513 1.175 17613 5011 1 7 . 1 1 109 109 ASP H H 109 8.036 8.036 7.730 0.306 17613 5012 1 7 . 1 1 110 110 ASP N N 110 122.852 122.852 123.173 -0.321 17613 5013 1 7 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.291 -0.196 17613 5014 1 7 . 1 1 110 110 ASP C C 110 177.527 177.527 177.991 -0.464 17613 5015 1 7 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.675 -0.287 17613 5016 1 7 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.836 -0.535 17613 5017 1 7 . 1 1 110 110 ASP H H 110 8.696 8.696 8.690 0.006 17613 5018 1 7 . 1 1 111 111 GLU N N 111 119.144 119.144 119.191 -0.047 17613 5019 1 7 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.026 -0.038 17613 5020 1 7 . 1 1 111 111 GLU C C 111 179.942 179.942 178.617 1.325 17613 5021 1 7 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.093 0.264 17613 5022 1 7 . 1 1 111 111 GLU CB C 111 28.496 28.496 28.986 -0.490 17613 5023 1 7 . 1 1 111 111 GLU H H 111 8.213 8.213 8.698 -0.485 17613 5024 1 7 . 1 1 112 112 GLU N N 112 121.400 121.400 119.741 1.659 17613 5025 1 7 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.115 -0.118 17613 5026 1 7 . 1 1 112 112 GLU C C 112 178.430 178.430 178.097 0.333 17613 5027 1 7 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.215 0.534 17613 5028 1 7 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.320 -0.126 17613 5029 1 7 . 1 1 112 112 GLU H H 112 8.234 8.234 8.353 -0.119 17613 5030 1 7 . 1 1 113 113 ALA N N 113 120.316 120.316 122.851 -2.535 17613 5031 1 7 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.021 -0.221 17613 5032 1 7 . 1 1 113 113 ALA C C 113 178.430 178.430 179.715 -1.285 17613 5033 1 7 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.139 0.243 17613 5034 1 7 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.103 0.499 17613 5035 1 7 . 1 1 113 113 ALA H H 113 8.118 8.118 7.689 0.429 17613 5036 1 7 . 1 1 114 114 LEU N N 114 116.901 116.901 117.787 -0.886 17613 5037 1 7 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.833 -0.120 17613 5038 1 7 . 1 1 114 114 LEU C C 114 178.431 178.431 179.003 -0.572 17613 5039 1 7 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.654 0.021 17613 5040 1 7 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.556 -0.619 17613 5041 1 7 . 1 1 114 114 LEU H H 114 7.743 7.743 7.588 0.155 17613 5042 1 7 . 1 1 115 115 LYS N N 115 119.066 119.066 118.089 0.977 17613 5043 1 7 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.039 -0.239 17613 5044 1 7 . 1 1 115 115 LYS C C 115 179.404 179.404 178.769 0.635 17613 5045 1 7 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.109 0.774 17613 5046 1 7 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.942 0.236 17613 5047 1 7 . 1 1 115 115 LYS H H 115 7.617 7.617 7.329 0.288 17613 5048 1 7 . 1 1 116 116 ILE N N 116 120.613 120.613 120.289 0.324 17613 5049 1 7 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.648 -0.188 17613 5050 1 7 . 1 1 116 116 ILE C C 116 177.016 177.016 177.726 -0.710 17613 5051 1 7 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.943 1.179 17613 5052 1 7 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.430 -0.107 17613 5053 1 7 . 1 1 116 116 ILE H H 116 8.004 8.004 7.783 0.221 17613 5054 1 7 . 1 1 117 117 VAL N N 117 120.234 120.234 120.320 -0.086 17613 5055 1 7 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.532 -0.272 17613 5056 1 7 . 1 1 117 117 VAL C C 117 177.746 177.746 177.634 0.112 17613 5057 1 7 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.167 0.338 17613 5058 1 7 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.963 -0.210 17613 5059 1 7 . 1 1 117 117 VAL H H 117 8.121 8.121 7.749 0.372 17613 5060 1 7 . 1 1 118 118 ARG N N 118 118.415 118.415 118.808 -0.393 17613 5061 1 7 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.965 -0.072 17613 5062 1 7 . 1 1 118 118 ARG C C 118 178.966 178.966 178.803 0.163 17613 5063 1 7 . 1 1 118 118 ARG CA C 118 60.169 60.169 58.411 1.758 17613 5064 1 7 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.115 0.587 17613 5065 1 7 . 1 1 118 118 ARG H H 118 8.026 8.026 7.395 0.631 17613 5066 1 7 . 1 1 119 119 GLU N N 119 122.419 122.419 119.568 2.851 17613 5067 1 7 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.089 -0.062 17613 5068 1 7 . 1 1 119 119 GLU C C 119 179.429 179.429 179.007 0.422 17613 5069 1 7 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.739 0.791 17613 5070 1 7 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.023 -0.062 17613 5071 1 7 . 1 1 119 119 GLU H H 119 7.918 7.918 7.505 0.413 17613 5072 1 7 . 1 1 120 120 PHE N N 120 119.597 119.597 119.734 -0.137 17613 5073 1 7 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.801 0.221 17613 5074 1 7 . 1 1 120 120 PHE C C 120 177.698 177.698 177.996 -0.298 17613 5075 1 7 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.773 -2.905 17613 5076 1 7 . 1 1 120 120 PHE CB C 120 36.753 36.753 37.986 -1.233 17613 5077 1 7 . 1 1 120 120 PHE H H 120 8.826 8.826 7.967 0.859 17613 5078 1 7 . 1 1 121 121 MET N N 121 116.596 116.596 117.664 -1.068 17613 5079 1 7 . 1 1 121 121 MET HA H 121 3.931 3.931 3.979 -0.048 17613 5080 1 7 . 1 1 121 121 MET C C 121 179.577 179.577 178.831 0.746 17613 5081 1 7 . 1 1 121 121 MET CA C 121 59.785 59.785 58.795 0.990 17613 5082 1 7 . 1 1 121 121 MET CB C 121 33.643 33.643 32.273 1.371 17613 5083 1 7 . 1 1 121 121 MET H H 121 8.317 8.317 8.182 0.135 17613 5084 1 7 . 1 1 122 122 GLN N N 122 120.565 120.565 120.406 0.159 17613 5085 1 7 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.041 0.094 17613 5086 1 7 . 1 1 122 122 GLN C C 122 178.893 178.893 178.057 0.836 17613 5087 1 7 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.356 -0.611 17613 5088 1 7 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.619 -0.599 17613 5089 1 7 . 1 1 122 122 GLN H H 122 8.054 8.054 7.963 0.091 17613 5090 1 7 . 1 1 123 123 LYS N N 123 121.605 121.605 119.560 2.045 17613 5091 1 7 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.014 0.011 17613 5092 1 7 . 1 1 123 123 LYS C C 123 179.307 179.307 179.014 0.293 17613 5093 1 7 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.167 0.076 17613 5094 1 7 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.232 0.074 17613 5095 1 7 . 1 1 123 123 LYS H H 123 8.400 8.400 7.917 0.483 17613 5096 1 7 . 1 1 124 124 ALA N N 124 121.873 121.873 120.979 0.894 17613 5097 1 7 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.185 -0.041 17613 5098 1 7 . 1 1 124 124 ALA C C 124 179.112 179.112 179.312 -0.200 17613 5099 1 7 . 1 1 124 124 ALA CA C 124 54.652 54.652 55.019 -0.367 17613 5100 1 7 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.316 0.618 17613 5101 1 7 . 1 1 124 124 ALA H H 124 8.601 8.601 8.037 0.564 17613 5102 1 7 . 1 1 125 125 GLY N N 125 104.755 104.755 104.992 -0.237 17613 5103 1 7 . 1 1 125 125 GLY C C 125 175.553 175.553 176.624 -1.071 17613 5104 1 7 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.973 -0.682 17613 5105 1 7 . 1 1 125 125 GLY H H 125 7.949 7.949 8.134 -0.185 17613 5106 1 7 . 1 1 126 126 SER N N 126 116.080 116.080 117.592 -1.512 17613 5107 1 7 . 1 1 126 126 SER HA H 126 4.447 4.447 4.827 -0.380 17613 5108 1 7 . 1 1 126 126 SER C C 126 175.504 175.504 175.810 -0.306 17613 5109 1 7 . 1 1 126 126 SER CA C 126 59.965 59.965 61.077 -1.112 17613 5110 1 7 . 1 1 126 126 SER CB C 126 63.460 63.460 63.276 0.184 17613 5111 1 7 . 1 1 126 126 SER H H 126 7.861 7.861 7.710 0.151 17613 5112 1 7 . 1 1 127 127 LEU N N 127 122.372 122.372 122.115 0.257 17613 5113 1 7 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.126 0.156 17613 5114 1 7 . 1 1 127 127 LEU C C 127 177.990 177.990 178.417 -0.427 17613 5115 1 7 . 1 1 127 127 LEU CA C 127 56.217 56.217 57.633 -1.416 17613 5116 1 7 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.106 -0.033 17613 5117 1 7 . 1 1 127 127 LEU H H 127 7.882 7.882 7.819 0.062 17613 5118 1 7 . 1 1 128 128 GLU N N 128 119.775 119.775 115.555 4.220 17613 5119 1 7 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.085 -0.177 17613 5120 1 7 . 1 1 128 128 GLU CA C 128 57.611 57.611 57.829 -0.218 17613 5121 1 7 . 1 1 128 128 GLU CB C 128 29.830 29.830 30.137 -0.307 17613 5122 1 7 . 1 1 128 128 GLU H H 128 8.084 8.084 7.767 0.317 17613 5123 1 7 . 1 1 131 131 HIS N N 131 125.272 125.272 117.847 7.425 17613 5124 1 7 . 1 1 131 131 HIS H H 131 8.059 8.059 7.226 0.833 17613 5125 1 8 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.834 -0.008 17613 5126 1 8 . 1 1 3 3 ILE C C 3 173.405 173.405 175.038 -1.633 17613 5127 1 8 . 1 1 3 3 ILE CA C 3 59.556 59.556 59.995 -0.439 17613 5128 1 8 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.633 0.875 17613 5129 1 8 . 1 1 3 3 ILE H H 3 8.444 8.444 8.157 0.287 17613 5130 1 8 . 1 1 4 4 LEU N N 4 127.785 127.785 128.911 -1.126 17613 5131 1 8 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.266 0.193 17613 5132 1 8 . 1 1 4 4 LEU C C 4 174.832 174.832 176.449 -1.617 17613 5133 1 8 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.351 -0.010 17613 5134 1 8 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.097 2.216 17613 5135 1 8 . 1 1 4 4 LEU H H 4 9.081 9.081 8.565 0.516 17613 5136 1 8 . 1 1 5 5 ILE N N 5 123.010 123.010 124.897 -1.887 17613 5137 1 8 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.570 0.263 17613 5138 1 8 . 1 1 5 5 ILE C C 5 173.357 173.357 175.039 -1.682 17613 5139 1 8 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.065 1.479 17613 5140 1 8 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.329 3.203 17613 5141 1 8 . 1 1 5 5 ILE H H 5 8.765 8.765 8.641 0.124 17613 5142 1 8 . 1 1 6 6 LEU N N 6 129.320 129.320 130.536 -1.216 17613 5143 1 8 . 1 1 6 6 LEU HA H 6 5.346 5.346 4.669 0.677 17613 5144 1 8 . 1 1 6 6 LEU C C 6 174.795 174.795 174.632 0.163 17613 5145 1 8 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.481 -0.481 17613 5146 1 8 . 1 1 6 6 LEU CB C 6 44.528 44.528 42.280 2.248 17613 5147 1 8 . 1 1 6 6 LEU H H 6 9.235 9.235 8.542 0.693 17613 5148 1 8 . 1 1 7 7 ILE N N 7 120.746 120.746 127.101 -6.355 17613 5149 1 8 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.709 0.472 17613 5150 1 8 . 1 1 7 7 ILE C C 7 173.819 173.819 174.105 -0.286 17613 5151 1 8 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.133 -1.918 17613 5152 1 8 . 1 1 7 7 ILE CB C 7 40.154 40.154 40.429 -0.275 17613 5153 1 8 . 1 1 7 7 ILE H H 7 8.931 8.931 9.085 -0.154 17613 5154 1 8 . 1 1 8 8 ASN N N 8 125.539 125.539 126.559 -1.020 17613 5155 1 8 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.932 -0.030 17613 5156 1 8 . 1 1 8 8 ASN C C 8 176.478 176.478 173.960 2.518 17613 5157 1 8 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.093 -0.989 17613 5158 1 8 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.806 0.776 17613 5159 1 8 . 1 1 8 8 ASN H H 8 8.634 8.634 8.908 -0.274 17613 5160 1 8 . 1 1 9 9 THR N N 9 118.493 118.493 119.277 -0.784 17613 5161 1 8 . 1 1 9 9 THR HA H 9 4.739 4.739 5.108 -0.369 17613 5162 1 8 . 1 1 9 9 THR C C 9 170.114 170.114 174.559 -4.445 17613 5163 1 8 . 1 1 9 9 THR CA C 9 60.689 60.689 59.062 1.627 17613 5164 1 8 . 1 1 9 9 THR CB C 9 67.766 67.766 71.411 -3.645 17613 5165 1 8 . 1 1 9 9 THR H H 9 8.044 8.044 7.822 0.222 17613 5166 1 8 . 1 1 10 10 ASN N N 10 123.266 123.266 123.675 -0.409 17613 5167 1 8 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.759 0.208 17613 5168 1 8 . 1 1 10 10 ASN C C 10 174.601 174.601 175.293 -0.692 17613 5169 1 8 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.659 -2.815 17613 5170 1 8 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.279 0.037 17613 5171 1 8 . 1 1 10 10 ASN H H 10 8.440 8.440 8.692 -0.252 17613 5172 1 8 . 1 1 11 11 ASN N N 11 120.920 120.920 118.415 2.505 17613 5173 1 8 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.928 -0.235 17613 5174 1 8 . 1 1 11 11 ASN C C 11 174.333 174.333 175.097 -0.764 17613 5175 1 8 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.683 -0.247 17613 5176 1 8 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.551 -1.202 17613 5177 1 8 . 1 1 11 11 ASN H H 11 8.366 8.366 7.652 0.714 17613 5178 1 8 . 1 1 12 12 ASP N N 12 126.315 126.315 124.324 1.991 17613 5179 1 8 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.308 -0.035 17613 5180 1 8 . 1 1 12 12 ASP C C 12 178.089 178.089 177.560 0.529 17613 5181 1 8 . 1 1 12 12 ASP CA C 12 57.608 57.608 56.951 0.657 17613 5182 1 8 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.964 0.197 17613 5183 1 8 . 1 1 12 12 ASP H H 12 8.586 8.586 8.944 -0.358 17613 5184 1 8 . 1 1 13 13 GLU N N 13 119.325 119.325 119.430 -0.105 17613 5185 1 8 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.016 0.010 17613 5186 1 8 . 1 1 13 13 GLU C C 13 178.893 178.893 178.873 0.020 17613 5187 1 8 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.086 -0.080 17613 5188 1 8 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.384 -0.675 17613 5189 1 8 . 1 1 13 13 GLU H H 13 8.289 8.289 8.629 -0.340 17613 5190 1 8 . 1 1 14 14 LEU N N 14 121.683 121.683 118.427 3.256 17613 5191 1 8 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.132 -0.147 17613 5192 1 8 . 1 1 14 14 LEU C C 14 178.309 178.309 179.118 -0.809 17613 5193 1 8 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.264 -0.003 17613 5194 1 8 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.918 -0.813 17613 5195 1 8 . 1 1 14 14 LEU H H 14 7.577 7.577 7.503 0.074 17613 5196 1 8 . 1 1 15 15 ILE N N 15 119.483 119.483 119.684 -0.201 17613 5197 1 8 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.572 -0.353 17613 5198 1 8 . 1 1 15 15 ILE C C 15 177.138 177.138 177.931 -0.793 17613 5199 1 8 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.350 1.239 17613 5200 1 8 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.550 -0.126 17613 5201 1 8 . 1 1 15 15 ILE H H 15 8.238 8.238 7.336 0.902 17613 5202 1 8 . 1 1 16 16 LYS N N 16 117.596 117.596 118.488 -0.892 17613 5203 1 8 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.040 -0.197 17613 5204 1 8 . 1 1 16 16 LYS C C 16 179.577 179.577 179.149 0.428 17613 5205 1 8 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.327 0.842 17613 5206 1 8 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.078 0.086 17613 5207 1 8 . 1 1 16 16 LYS H H 16 7.604 7.604 7.509 0.095 17613 5208 1 8 . 1 1 17 17 LYS N N 17 118.832 118.832 119.577 -0.745 17613 5209 1 8 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.144 -0.152 17613 5210 1 8 . 1 1 17 17 LYS C C 17 179.380 179.380 178.963 0.417 17613 5211 1 8 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.248 0.592 17613 5212 1 8 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.579 0.486 17613 5213 1 8 . 1 1 17 17 LYS H H 17 7.583 7.583 7.859 -0.276 17613 5214 1 8 . 1 1 18 18 ILE N N 18 120.961 120.961 120.704 0.257 17613 5215 1 8 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.630 -0.258 17613 5216 1 8 . 1 1 18 18 ILE C C 18 176.967 176.967 177.618 -0.651 17613 5217 1 8 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.258 0.216 17613 5218 1 8 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.706 -0.150 17613 5219 1 8 . 1 1 18 18 ILE H H 18 8.785 8.785 8.090 0.695 17613 5220 1 8 . 1 1 19 19 LYS N N 19 118.324 118.324 119.444 -1.120 17613 5221 1 8 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.917 -0.237 17613 5222 1 8 . 1 1 19 19 LYS C C 19 177.746 177.746 179.102 -1.356 17613 5223 1 8 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.786 1.067 17613 5224 1 8 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.128 0.198 17613 5225 1 8 . 1 1 19 19 LYS H H 19 8.532 8.532 7.730 0.802 17613 5226 1 8 . 1 1 20 20 LYS N N 20 116.284 116.284 119.162 -2.878 17613 5227 1 8 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.063 0.024 17613 5228 1 8 . 1 1 20 20 LYS C C 20 178.406 178.406 179.204 -0.798 17613 5229 1 8 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.743 -0.204 17613 5230 1 8 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.866 0.115 17613 5231 1 8 . 1 1 20 20 LYS H H 20 7.303 7.303 7.423 -0.120 17613 5232 1 8 . 1 1 21 21 GLU N N 21 118.488 118.488 118.068 0.420 17613 5233 1 8 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.034 -0.071 17613 5234 1 8 . 1 1 21 21 GLU C C 21 179.088 179.088 179.169 -0.081 17613 5235 1 8 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.019 -0.125 17613 5236 1 8 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.527 -0.093 17613 5237 1 8 . 1 1 21 21 GLU H H 21 7.665 7.665 7.841 -0.176 17613 5238 1 8 . 1 1 22 22 VAL N N 22 109.032 109.032 113.439 -4.407 17613 5239 1 8 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.221 -0.089 17613 5240 1 8 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.199 -0.400 17613 5241 1 8 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.802 -1.973 17613 5242 1 8 . 1 1 22 22 VAL H H 22 8.037 8.037 7.897 0.140 17613 5243 1 8 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.552 0.165 17613 5244 1 8 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.588 3.220 17613 5245 1 8 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.343 -0.172 17613 5246 1 8 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.544 0.102 17613 5247 1 8 . 1 1 25 25 GLN C C 25 175.692 175.692 176.822 -1.130 17613 5248 1 8 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.884 0.134 17613 5249 1 8 . 1 1 26 26 GLY N N 26 106.368 106.368 107.729 -1.361 17613 5250 1 8 . 1 1 26 26 GLY C C 26 174.382 174.382 174.807 -0.425 17613 5251 1 8 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.746 0.211 17613 5252 1 8 . 1 1 26 26 GLY H H 26 8.020 8.020 7.601 0.419 17613 5253 1 8 . 1 1 27 27 TYR N N 27 119.082 119.082 120.234 -1.152 17613 5254 1 8 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.677 -0.244 17613 5255 1 8 . 1 1 27 27 TYR C C 27 174.528 174.528 175.982 -1.454 17613 5256 1 8 . 1 1 27 27 TYR CA C 27 58.054 58.054 56.996 1.058 17613 5257 1 8 . 1 1 27 27 TYR CB C 27 39.005 39.005 38.108 0.897 17613 5258 1 8 . 1 1 27 27 TYR H H 27 7.845 7.845 8.169 -0.324 17613 5259 1 8 . 1 1 28 28 GLN N N 28 120.362 120.362 124.496 -4.134 17613 5260 1 8 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.318 0.181 17613 5261 1 8 . 1 1 28 28 GLN C C 28 174.625 174.625 175.611 -0.986 17613 5262 1 8 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.486 -1.106 17613 5263 1 8 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.296 2.159 17613 5264 1 8 . 1 1 28 28 GLN H H 28 8.338 8.338 8.419 -0.081 17613 5265 1 8 . 1 1 29 29 VAL N N 29 123.482 123.482 125.683 -2.201 17613 5266 1 8 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.632 0.411 17613 5267 1 8 . 1 1 29 29 VAL C C 29 175.820 175.820 176.166 -0.346 17613 5268 1 8 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.320 -0.832 17613 5269 1 8 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.352 0.121 17613 5270 1 8 . 1 1 29 29 VAL H H 29 8.776 8.776 8.245 0.531 17613 5271 1 8 . 1 1 30 30 ARG N N 30 127.787 127.787 127.719 0.068 17613 5272 1 8 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.734 0.006 17613 5273 1 8 . 1 1 30 30 ARG C C 30 173.332 173.332 174.780 -1.448 17613 5274 1 8 . 1 1 30 30 ARG CA C 30 53.788 53.788 52.646 1.142 17613 5275 1 8 . 1 1 30 30 ARG CB C 30 32.391 32.391 30.247 2.144 17613 5276 1 8 . 1 1 30 30 ARG H H 30 9.135 9.135 8.878 0.257 17613 5277 1 8 . 1 1 31 31 ASP N N 31 121.895 121.895 125.436 -3.541 17613 5278 1 8 . 1 1 31 31 ASP HA H 31 5.210 5.210 4.737 0.473 17613 5279 1 8 . 1 1 31 31 ASP C C 31 175.282 175.282 175.783 -0.501 17613 5280 1 8 . 1 1 31 31 ASP CA C 31 53.370 53.370 55.142 -1.772 17613 5281 1 8 . 1 1 31 31 ASP CB C 31 42.722 42.722 41.192 1.530 17613 5282 1 8 . 1 1 31 31 ASP H H 31 8.377 8.377 8.719 -0.342 17613 5283 1 8 . 1 1 32 32 VAL N N 32 120.426 120.426 125.637 -5.211 17613 5284 1 8 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.278 -0.030 17613 5285 1 8 . 1 1 32 32 VAL C C 32 174.114 174.114 174.434 -0.320 17613 5286 1 8 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.466 0.091 17613 5287 1 8 . 1 1 32 32 VAL CB C 32 33.884 33.884 32.621 1.263 17613 5288 1 8 . 1 1 32 32 VAL H H 32 8.441 8.441 8.537 -0.096 17613 5289 1 8 . 1 1 33 33 ASN N N 33 122.700 122.700 125.527 -2.827 17613 5290 1 8 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.802 0.175 17613 5291 1 8 . 1 1 33 33 ASN C C 33 174.235 174.235 174.070 0.165 17613 5292 1 8 . 1 1 33 33 ASN CA C 33 53.396 53.396 54.310 -0.915 17613 5293 1 8 . 1 1 33 33 ASN CB C 33 40.869 40.869 39.672 1.197 17613 5294 1 8 . 1 1 33 33 ASN H H 33 9.550 9.550 8.778 0.772 17613 5295 1 8 . 1 1 34 34 ASP N N 34 114.885 114.885 116.808 -1.923 17613 5296 1 8 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.902 -0.199 17613 5297 1 8 . 1 1 34 34 ASP C C 34 175.626 175.626 176.594 -0.968 17613 5298 1 8 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.024 1.459 17613 5299 1 8 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.253 -0.857 17613 5300 1 8 . 1 1 34 34 ASP H H 34 7.616 7.616 7.320 0.296 17613 5301 1 8 . 1 1 35 35 SER N N 35 114.381 114.381 118.169 -3.788 17613 5302 1 8 . 1 1 35 35 SER HA H 35 4.046 4.046 4.088 -0.042 17613 5303 1 8 . 1 1 35 35 SER C C 35 175.991 175.991 176.544 -0.553 17613 5304 1 8 . 1 1 35 35 SER CA C 35 61.446 61.446 61.785 -0.339 17613 5305 1 8 . 1 1 35 35 SER CB C 35 62.764 62.764 63.015 -0.251 17613 5306 1 8 . 1 1 35 35 SER H H 35 8.869 8.869 8.727 0.142 17613 5307 1 8 . 1 1 36 36 ASP N N 36 124.695 124.695 121.739 2.956 17613 5308 1 8 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.355 0.164 17613 5309 1 8 . 1 1 36 36 ASP C C 36 179.136 179.136 178.347 0.789 17613 5310 1 8 . 1 1 36 36 ASP CA C 36 57.668 57.668 58.301 -0.633 17613 5311 1 8 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.671 -0.387 17613 5312 1 8 . 1 1 36 36 ASP H H 36 8.388 8.388 8.190 0.198 17613 5313 1 8 . 1 1 37 37 GLU N N 37 122.449 122.449 118.964 3.485 17613 5314 1 8 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.015 0.044 17613 5315 1 8 . 1 1 37 37 GLU C C 37 178.698 178.698 178.872 -0.174 17613 5316 1 8 . 1 1 37 37 GLU CA C 37 59.209 59.209 59.149 0.060 17613 5317 1 8 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.222 0.499 17613 5318 1 8 . 1 1 37 37 GLU H H 37 9.009 9.009 8.095 0.914 17613 5319 1 8 . 1 1 38 38 LEU N N 38 119.580 119.580 121.763 -2.183 17613 5320 1 8 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.972 -0.061 17613 5321 1 8 . 1 1 38 38 LEU C C 38 177.649 177.649 178.372 -0.723 17613 5322 1 8 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.509 0.624 17613 5323 1 8 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.999 -0.930 17613 5324 1 8 . 1 1 38 38 LEU H H 38 8.203 8.203 8.070 0.133 17613 5325 1 8 . 1 1 39 39 LYS N N 39 118.404 118.404 118.210 0.194 17613 5326 1 8 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.914 -0.073 17613 5327 1 8 . 1 1 39 39 LYS C C 39 179.577 179.577 179.408 0.169 17613 5328 1 8 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.701 0.165 17613 5329 1 8 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.167 -0.119 17613 5330 1 8 . 1 1 39 39 LYS H H 39 7.829 7.829 7.818 0.011 17613 5331 1 8 . 1 1 40 40 LYS N N 40 119.271 119.271 119.168 0.103 17613 5332 1 8 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.092 -0.070 17613 5333 1 8 . 1 1 40 40 LYS C C 40 179.577 179.577 179.420 0.157 17613 5334 1 8 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.897 0.693 17613 5335 1 8 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.104 0.296 17613 5336 1 8 . 1 1 40 40 LYS H H 40 7.779 7.779 7.990 -0.211 17613 5337 1 8 . 1 1 41 41 GLU N N 41 119.647 119.647 119.082 0.565 17613 5338 1 8 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.171 0.092 17613 5339 1 8 . 1 1 41 41 GLU C C 41 179.504 179.504 179.183 0.321 17613 5340 1 8 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.450 -0.376 17613 5341 1 8 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.311 -1.065 17613 5342 1 8 . 1 1 41 41 GLU H H 41 8.721 8.721 7.818 0.903 17613 5343 1 8 . 1 1 42 42 MET N N 42 118.114 118.114 117.501 0.613 17613 5344 1 8 . 1 1 42 42 MET HA H 42 4.383 4.383 4.345 0.038 17613 5345 1 8 . 1 1 42 42 MET C C 42 179.185 179.185 178.129 1.056 17613 5346 1 8 . 1 1 42 42 MET CA C 42 57.054 57.054 56.574 0.480 17613 5347 1 8 . 1 1 42 42 MET CB C 42 31.254 31.254 31.429 -0.175 17613 5348 1 8 . 1 1 42 42 MET H H 42 8.779 8.779 8.193 0.586 17613 5349 1 8 . 1 1 43 43 LYS N N 43 120.740 120.740 120.461 0.279 17613 5350 1 8 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.046 0.042 17613 5351 1 8 . 1 1 43 43 LYS C C 43 178.187 178.187 179.057 -0.870 17613 5352 1 8 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.020 0.370 17613 5353 1 8 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.531 0.431 17613 5354 1 8 . 1 1 43 43 LYS H H 43 7.499 7.499 7.688 -0.189 17613 5355 1 8 . 1 1 44 44 LYS N N 44 118.269 118.269 119.264 -0.995 17613 5356 1 8 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.129 -0.068 17613 5357 1 8 . 1 1 44 44 LYS C C 44 179.601 179.601 179.448 0.153 17613 5358 1 8 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.286 1.214 17613 5359 1 8 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.910 0.160 17613 5360 1 8 . 1 1 44 44 LYS H H 44 7.445 7.445 7.388 0.057 17613 5361 1 8 . 1 1 45 45 LEU N N 45 117.785 117.785 118.660 -0.875 17613 5362 1 8 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.102 0.046 17613 5363 1 8 . 1 1 45 45 LEU C C 45 178.357 178.357 178.203 0.154 17613 5364 1 8 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.437 -0.250 17613 5365 1 8 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.989 -0.216 17613 5366 1 8 . 1 1 45 45 LEU H H 45 8.161 8.161 7.574 0.587 17613 5367 1 8 . 1 1 46 46 ALA N N 46 118.538 118.538 119.423 -0.885 17613 5368 1 8 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.227 0.025 17613 5369 1 8 . 1 1 46 46 ALA C C 46 178.893 178.893 179.477 -0.584 17613 5370 1 8 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.335 -0.663 17613 5371 1 8 . 1 1 46 46 ALA CB C 46 18.882 18.882 19.507 -0.625 17613 5372 1 8 . 1 1 46 46 ALA H H 46 7.637 7.637 7.634 0.003 17613 5373 1 8 . 1 1 47 47 GLU N N 47 115.492 115.492 117.004 -1.512 17613 5374 1 8 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.257 -0.007 17613 5375 1 8 . 1 1 47 47 GLU C C 47 176.478 176.478 177.524 -1.046 17613 5376 1 8 . 1 1 47 47 GLU CA C 47 56.931 56.931 58.387 -1.456 17613 5377 1 8 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.794 -0.378 17613 5378 1 8 . 1 1 47 47 GLU H H 47 7.713 7.713 8.258 -0.545 17613 5379 1 8 . 1 1 48 48 GLU N N 48 120.573 120.573 121.036 -0.463 17613 5380 1 8 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.504 -0.131 17613 5381 1 8 . 1 1 48 48 GLU C C 48 173.624 173.624 174.360 -0.736 17613 5382 1 8 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.170 0.851 17613 5383 1 8 . 1 1 48 48 GLU CB C 48 29.910 29.910 30.159 -0.249 17613 5384 1 8 . 1 1 48 48 GLU H H 48 7.748 7.748 7.789 -0.041 17613 5385 1 8 . 1 1 49 49 LYS N N 49 124.420 124.420 125.575 -1.155 17613 5386 1 8 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.443 -0.125 17613 5387 1 8 . 1 1 49 49 LYS C C 49 176.843 176.843 175.493 1.350 17613 5388 1 8 . 1 1 49 49 LYS CA C 49 56.517 56.517 54.999 1.518 17613 5389 1 8 . 1 1 49 49 LYS CB C 49 32.462 32.462 31.789 0.673 17613 5390 1 8 . 1 1 49 49 LYS H H 49 8.607 8.607 8.466 0.141 17613 5391 1 8 . 1 1 50 50 ASN N N 50 117.993 117.993 120.028 -2.035 17613 5392 1 8 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.640 -0.016 17613 5393 1 8 . 1 1 50 50 ASN C C 50 176.454 176.454 175.099 1.355 17613 5394 1 8 . 1 1 50 50 ASN CA C 50 53.555 53.555 51.578 1.977 17613 5395 1 8 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.164 -0.128 17613 5396 1 8 . 1 1 50 50 ASN H H 50 8.723 8.723 8.312 0.411 17613 5397 1 8 . 1 1 51 51 PHE N N 51 120.700 120.700 119.328 1.372 17613 5398 1 8 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.513 0.245 17613 5399 1 8 . 1 1 51 51 PHE CA C 51 57.935 57.935 57.551 0.384 17613 5400 1 8 . 1 1 51 51 PHE CB C 51 38.975 38.975 37.316 1.659 17613 5401 1 8 . 1 1 51 51 PHE H H 51 8.341 8.341 8.677 -0.336 17613 5402 1 8 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.608 -0.350 17613 5403 1 8 . 1 1 52 52 GLU C C 52 173.600 173.600 175.453 -1.853 17613 5404 1 8 . 1 1 52 52 GLU CA C 52 56.254 56.254 54.326 1.928 17613 5405 1 8 . 1 1 52 52 GLU CB C 52 33.459 33.459 31.257 2.202 17613 5406 1 8 . 1 1 53 53 LYS N N 53 119.964 119.964 125.925 -5.961 17613 5407 1 8 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.451 0.238 17613 5408 1 8 . 1 1 53 53 LYS C C 53 174.430 174.430 175.410 -0.980 17613 5409 1 8 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.465 -0.109 17613 5410 1 8 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.626 -0.181 17613 5411 1 8 . 1 1 53 53 LYS H H 53 7.962 7.962 8.561 -0.599 17613 5412 1 8 . 1 1 54 54 ILE N N 54 124.730 124.730 124.997 -0.267 17613 5413 1 8 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.482 0.364 17613 5414 1 8 . 1 1 54 54 ILE C C 54 173.089 173.089 175.111 -2.022 17613 5415 1 8 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.590 0.674 17613 5416 1 8 . 1 1 54 54 ILE CB C 54 41.953 41.953 37.965 3.988 17613 5417 1 8 . 1 1 54 54 ILE H H 54 8.804 8.804 8.466 0.338 17613 5418 1 8 . 1 1 55 55 LEU N N 55 130.086 130.086 130.651 -0.565 17613 5419 1 8 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.033 0.608 17613 5420 1 8 . 1 1 55 55 LEU C C 55 174.430 174.430 175.351 -0.921 17613 5421 1 8 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.867 -0.365 17613 5422 1 8 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.152 1.050 17613 5423 1 8 . 1 1 55 55 LEU H H 55 9.103 9.103 8.235 0.868 17613 5424 1 8 . 1 1 56 56 ILE N N 56 125.983 125.983 126.694 -0.711 17613 5425 1 8 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.725 0.332 17613 5426 1 8 . 1 1 56 56 ILE C C 56 174.089 174.089 175.316 -1.227 17613 5427 1 8 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.793 0.317 17613 5428 1 8 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.772 1.052 17613 5429 1 8 . 1 1 56 56 ILE H H 56 9.182 9.182 8.627 0.555 17613 5430 1 8 . 1 1 57 57 ILE N N 57 127.241 127.241 127.849 -0.608 17613 5431 1 8 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.844 0.068 17613 5432 1 8 . 1 1 57 57 ILE C C 57 174.869 174.869 174.949 -0.080 17613 5433 1 8 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.319 -1.064 17613 5434 1 8 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.015 -1.064 17613 5435 1 8 . 1 1 57 57 ILE H H 57 8.541 8.541 8.657 -0.116 17613 5436 1 8 . 1 1 58 58 SER N N 58 119.270 119.270 122.084 -2.814 17613 5437 1 8 . 1 1 58 58 SER HA H 58 5.007 5.007 5.223 -0.216 17613 5438 1 8 . 1 1 58 58 SER C C 58 174.211 174.211 174.037 0.174 17613 5439 1 8 . 1 1 58 58 SER CA C 58 56.727 56.727 56.715 0.012 17613 5440 1 8 . 1 1 58 58 SER CB C 58 66.615 66.615 65.352 1.263 17613 5441 1 8 . 1 1 58 58 SER H H 58 8.810 8.810 8.824 -0.014 17613 5442 1 8 . 1 1 59 59 ASN N N 59 122.382 122.382 125.916 -3.534 17613 5443 1 8 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.160 -0.450 17613 5444 1 8 . 1 1 59 59 ASN C C 59 174.795 174.795 174.646 0.149 17613 5445 1 8 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.121 -0.614 17613 5446 1 8 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.743 -0.781 17613 5447 1 8 . 1 1 59 59 ASN H H 59 8.794 8.794 8.464 0.330 17613 5448 1 8 . 1 1 60 60 ASP N N 60 119.744 119.744 119.037 0.707 17613 5449 1 8 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.775 0.088 17613 5450 1 8 . 1 1 60 60 ASP C C 60 176.015 176.015 176.187 -0.172 17613 5451 1 8 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.959 0.138 17613 5452 1 8 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.839 -0.890 17613 5453 1 8 . 1 1 60 60 ASP H H 60 7.857 7.857 7.415 0.442 17613 5454 1 8 . 1 1 61 61 LYS N N 61 125.818 125.818 123.276 2.542 17613 5455 1 8 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.000 -0.278 17613 5456 1 8 . 1 1 61 61 LYS C C 61 177.673 177.673 178.314 -0.641 17613 5457 1 8 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.818 -0.186 17613 5458 1 8 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.365 -0.847 17613 5459 1 8 . 1 1 61 61 LYS H H 61 8.904 8.904 8.568 0.336 17613 5460 1 8 . 1 1 62 62 GLN N N 62 118.918 118.918 119.601 -0.683 17613 5461 1 8 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.134 -0.029 17613 5462 1 8 . 1 1 62 62 GLN C C 62 178.747 178.747 177.931 0.816 17613 5463 1 8 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.620 -0.319 17613 5464 1 8 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.994 -0.546 17613 5465 1 8 . 1 1 62 62 GLN H H 62 8.434 8.434 7.804 0.630 17613 5466 1 8 . 1 1 63 63 LEU N N 63 120.071 120.071 120.075 -0.004 17613 5467 1 8 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.951 0.183 17613 5468 1 8 . 1 1 63 63 LEU C C 63 178.552 178.552 178.876 -0.324 17613 5469 1 8 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.797 -1.154 17613 5470 1 8 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.621 -0.727 17613 5471 1 8 . 1 1 63 63 LEU H H 63 7.671 7.671 7.788 -0.117 17613 5472 1 8 . 1 1 64 64 LEU N N 64 117.705 117.705 119.501 -1.796 17613 5473 1 8 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.848 0.059 17613 5474 1 8 . 1 1 64 64 LEU C C 64 172.526 172.526 178.590 -6.064 17613 5475 1 8 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.362 -0.584 17613 5476 1 8 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.897 -0.547 17613 5477 1 8 . 1 1 64 64 LEU H H 64 7.626 7.626 7.670 -0.044 17613 5478 1 8 . 1 1 65 65 LYS N N 65 118.311 118.311 119.158 -0.847 17613 5479 1 8 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.839 -0.045 17613 5480 1 8 . 1 1 65 65 LYS C C 65 178.479 178.479 179.104 -0.625 17613 5481 1 8 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.202 0.025 17613 5482 1 8 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.258 0.008 17613 5483 1 8 . 1 1 65 65 LYS H H 65 8.038 8.038 8.104 -0.066 17613 5484 1 8 . 1 1 66 66 GLU N N 66 119.362 119.362 118.492 0.870 17613 5485 1 8 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.027 -0.001 17613 5486 1 8 . 1 1 66 66 GLU C C 66 178.893 178.893 178.939 -0.046 17613 5487 1 8 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.726 0.393 17613 5488 1 8 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.166 0.096 17613 5489 1 8 . 1 1 66 66 GLU H H 66 7.803 7.803 7.856 -0.053 17613 5490 1 8 . 1 1 67 67 MET N N 67 118.398 118.398 120.291 -1.893 17613 5491 1 8 . 1 1 67 67 MET HA H 67 3.948 3.948 4.127 -0.179 17613 5492 1 8 . 1 1 67 67 MET C C 67 177.527 177.527 178.414 -0.887 17613 5493 1 8 . 1 1 67 67 MET CA C 67 59.963 59.963 59.300 0.663 17613 5494 1 8 . 1 1 67 67 MET CB C 67 33.443 33.443 32.641 0.802 17613 5495 1 8 . 1 1 67 67 MET H H 67 8.394 8.394 7.920 0.474 17613 5496 1 8 . 1 1 68 68 LEU N N 68 118.269 118.269 118.737 -0.468 17613 5497 1 8 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.799 -0.020 17613 5498 1 8 . 1 1 68 68 LEU C C 68 178.869 178.869 179.122 -0.253 17613 5499 1 8 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.548 0.393 17613 5500 1 8 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.023 -0.148 17613 5501 1 8 . 1 1 68 68 LEU H H 68 8.471 8.471 8.183 0.288 17613 5502 1 8 . 1 1 69 69 GLU N N 69 118.681 118.681 120.063 -1.382 17613 5503 1 8 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.081 -0.026 17613 5504 1 8 . 1 1 69 69 GLU C C 69 179.063 179.063 179.388 -0.325 17613 5505 1 8 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.249 0.175 17613 5506 1 8 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.502 -0.362 17613 5507 1 8 . 1 1 69 69 GLU H H 69 7.627 7.627 7.774 -0.147 17613 5508 1 8 . 1 1 70 70 LEU N N 70 119.503 119.503 120.218 -0.715 17613 5509 1 8 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.037 0.124 17613 5510 1 8 . 1 1 70 70 LEU C C 70 179.699 179.699 179.259 0.440 17613 5511 1 8 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.936 -0.162 17613 5512 1 8 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.944 0.000 17613 5513 1 8 . 1 1 70 70 LEU H H 70 7.717 7.717 7.897 -0.180 17613 5514 1 8 . 1 1 71 71 ILE N N 71 116.791 116.791 118.939 -2.148 17613 5515 1 8 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.607 0.130 17613 5516 1 8 . 1 1 71 71 ILE C C 71 178.357 178.357 177.986 0.371 17613 5517 1 8 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.560 -1.318 17613 5518 1 8 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.489 0.412 17613 5519 1 8 . 1 1 71 71 ILE H H 71 8.598 8.598 8.156 0.442 17613 5520 1 8 . 1 1 72 72 SER N N 72 116.517 116.517 115.166 1.351 17613 5521 1 8 . 1 1 72 72 SER HA H 72 4.365 4.365 4.178 0.187 17613 5522 1 8 . 1 1 72 72 SER C C 72 176.845 176.845 176.059 0.786 17613 5523 1 8 . 1 1 72 72 SER CA C 72 61.365 61.365 61.284 0.081 17613 5524 1 8 . 1 1 72 72 SER CB C 72 62.780 62.780 63.088 -0.308 17613 5525 1 8 . 1 1 72 72 SER H H 72 8.023 8.023 8.274 -0.251 17613 5526 1 8 . 1 1 73 73 LYS N N 73 120.731 120.731 119.829 0.902 17613 5527 1 8 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.124 0.167 17613 5528 1 8 . 1 1 73 73 LYS C C 73 177.771 177.771 178.629 -0.858 17613 5529 1 8 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.791 -0.315 17613 5530 1 8 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.402 -0.256 17613 5531 1 8 . 1 1 73 73 LYS H H 73 7.723 7.723 7.443 0.280 17613 5532 1 8 . 1 1 74 74 LEU N N 74 117.572 117.572 117.567 0.005 17613 5533 1 8 . 1 1 74 74 LEU HA H 74 4.227 4.227 3.974 0.253 17613 5534 1 8 . 1 1 74 74 LEU C C 74 177.332 177.332 177.431 -0.099 17613 5535 1 8 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.559 -0.360 17613 5536 1 8 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.308 -0.822 17613 5537 1 8 . 1 1 74 74 LEU H H 74 7.609 7.609 7.591 0.018 17613 5538 1 8 . 1 1 75 75 GLY N N 75 105.991 105.991 105.726 0.265 17613 5539 1 8 . 1 1 75 75 GLY C C 75 174.771 174.771 173.605 1.166 17613 5540 1 8 . 1 1 75 75 GLY CA C 75 45.842 45.842 44.963 0.879 17613 5541 1 8 . 1 1 75 75 GLY H H 75 7.925 7.925 7.873 0.052 17613 5542 1 8 . 1 1 76 76 TYR N N 76 118.452 118.452 119.276 -0.824 17613 5543 1 8 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.837 -0.059 17613 5544 1 8 . 1 1 76 76 TYR C C 76 175.234 175.234 175.476 -0.242 17613 5545 1 8 . 1 1 76 76 TYR CA C 76 55.504 55.504 55.686 -0.182 17613 5546 1 8 . 1 1 76 76 TYR CB C 76 37.962 37.962 40.547 -2.585 17613 5547 1 8 . 1 1 76 76 TYR H H 76 7.366 7.366 7.484 -0.118 17613 5548 1 8 . 1 1 77 77 LYS N N 77 122.866 122.866 124.022 -1.156 17613 5549 1 8 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.431 0.117 17613 5550 1 8 . 1 1 77 77 LYS C C 77 174.138 174.138 175.169 -1.031 17613 5551 1 8 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.399 -0.329 17613 5552 1 8 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.456 -0.239 17613 5553 1 8 . 1 1 77 77 LYS H H 77 8.290 8.290 8.813 -0.523 17613 5554 1 8 . 1 1 78 78 VAL N N 78 124.071 124.071 126.064 -1.993 17613 5555 1 8 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.841 0.325 17613 5556 1 8 . 1 1 78 78 VAL C C 78 174.162 174.162 174.880 -0.718 17613 5557 1 8 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.057 -0.828 17613 5558 1 8 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.668 0.687 17613 5559 1 8 . 1 1 78 78 VAL H H 78 7.830 7.830 8.365 -0.535 17613 5560 1 8 . 1 1 79 79 PHE N N 79 126.174 126.174 125.414 0.760 17613 5561 1 8 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.682 -0.115 17613 5562 1 8 . 1 1 79 79 PHE C C 79 173.357 173.357 174.205 -0.848 17613 5563 1 8 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.902 -0.949 17613 5564 1 8 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.287 -0.103 17613 5565 1 8 . 1 1 79 79 PHE H H 79 8.374 8.374 8.742 -0.368 17613 5566 1 8 . 1 1 80 80 LEU N N 80 123.959 123.959 126.453 -2.494 17613 5567 1 8 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.160 0.386 17613 5568 1 8 . 1 1 80 80 LEU C C 80 173.503 173.503 174.570 -1.067 17613 5569 1 8 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.281 0.718 17613 5570 1 8 . 1 1 80 80 LEU CB C 80 45.667 45.667 44.860 0.807 17613 5571 1 8 . 1 1 80 80 LEU H H 80 8.601 8.601 8.997 -0.396 17613 5572 1 8 . 1 1 81 81 LEU N N 81 126.694 126.694 128.841 -2.147 17613 5573 1 8 . 1 1 81 81 LEU HA H 81 5.269 5.269 4.938 0.331 17613 5574 1 8 . 1 1 81 81 LEU C C 81 173.649 173.649 174.527 -0.878 17613 5575 1 8 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.307 -0.243 17613 5576 1 8 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.389 1.387 17613 5577 1 8 . 1 1 81 81 LEU H H 81 9.063 9.063 8.991 0.072 17613 5578 1 8 . 1 1 82 82 LEU N N 82 124.888 124.888 128.334 -3.446 17613 5579 1 8 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.635 0.276 17613 5580 1 8 . 1 1 82 82 LEU C C 82 174.479 174.479 175.070 -0.591 17613 5581 1 8 . 1 1 82 82 LEU CA C 82 53.135 53.135 54.074 -0.939 17613 5582 1 8 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.406 1.816 17613 5583 1 8 . 1 1 82 82 LEU H H 82 8.864 8.864 8.336 0.528 17613 5584 1 8 . 1 1 83 83 GLN N N 83 122.153 122.153 125.476 -3.323 17613 5585 1 8 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.016 0.244 17613 5586 1 8 . 1 1 83 83 GLN C C 83 174.333 174.333 174.622 -0.289 17613 5587 1 8 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.643 -0.057 17613 5588 1 8 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.449 -0.579 17613 5589 1 8 . 1 1 83 83 GLN H H 83 8.437 8.437 8.772 -0.335 17613 5590 1 8 . 1 1 84 84 ASP N N 84 124.451 124.451 127.892 -3.441 17613 5591 1 8 . 1 1 84 84 ASP HA H 84 4.502 4.502 5.318 -0.816 17613 5592 1 8 . 1 1 84 84 ASP C C 84 174.308 174.308 176.097 -1.789 17613 5593 1 8 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.417 0.598 17613 5594 1 8 . 1 1 84 84 ASP CB C 84 43.771 43.771 43.717 0.054 17613 5595 1 8 . 1 1 84 84 ASP H H 84 8.205 8.205 7.982 0.223 17613 5596 1 8 . 1 1 85 85 GLN N N 85 120.202 120.202 121.578 -1.376 17613 5597 1 8 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.148 0.186 17613 5598 1 8 . 1 1 85 85 GLN C C 85 175.431 175.431 176.098 -0.667 17613 5599 1 8 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.893 -1.298 17613 5600 1 8 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.312 0.022 17613 5601 1 8 . 1 1 85 85 GLN H H 85 8.617 8.617 8.673 -0.056 17613 5602 1 8 . 1 1 86 86 ASP N N 86 120.508 120.508 119.641 0.867 17613 5603 1 8 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.692 -0.007 17613 5604 1 8 . 1 1 86 86 ASP C C 86 175.747 175.747 175.719 0.028 17613 5605 1 8 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.446 0.066 17613 5606 1 8 . 1 1 86 86 ASP CB C 86 40.957 40.957 41.713 -0.756 17613 5607 1 8 . 1 1 86 86 ASP H H 86 8.691 8.691 8.134 0.557 17613 5608 1 8 . 1 1 87 87 GLU N N 87 123.604 123.604 125.427 -1.823 17613 5609 1 8 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.324 -0.289 17613 5610 1 8 . 1 1 87 87 GLU C C 87 177.771 177.771 176.984 0.787 17613 5611 1 8 . 1 1 87 87 GLU CA C 87 58.522 58.522 57.372 1.150 17613 5612 1 8 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.704 -0.129 17613 5613 1 8 . 1 1 87 87 GLU H H 87 8.642 8.642 8.916 -0.274 17613 5614 1 8 . 1 1 88 88 ASN N N 88 118.838 118.838 119.777 -0.939 17613 5615 1 8 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.644 -0.083 17613 5616 1 8 . 1 1 88 88 ASN C C 88 177.089 177.089 177.402 -0.313 17613 5617 1 8 . 1 1 88 88 ASN CA C 88 55.642 55.642 55.793 -0.151 17613 5618 1 8 . 1 1 88 88 ASN CB C 88 38.166 38.166 38.169 -0.002 17613 5619 1 8 . 1 1 88 88 ASN H H 88 8.527 8.527 7.993 0.534 17613 5620 1 8 . 1 1 89 89 GLU N N 89 120.947 120.947 121.015 -0.068 17613 5621 1 8 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.076 0.071 17613 5622 1 8 . 1 1 89 89 GLU C C 89 178.357 178.357 178.754 -0.397 17613 5623 1 8 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.967 -0.716 17613 5624 1 8 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.547 -0.303 17613 5625 1 8 . 1 1 89 89 GLU H H 89 8.221 8.221 8.125 0.096 17613 5626 1 8 . 1 1 90 90 LEU N N 90 119.582 119.582 120.890 -1.308 17613 5627 1 8 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.169 0.036 17613 5628 1 8 . 1 1 90 90 LEU C C 90 177.917 177.917 178.711 -0.794 17613 5629 1 8 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.018 -1.074 17613 5630 1 8 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.992 0.464 17613 5631 1 8 . 1 1 90 90 LEU H H 90 8.047 8.047 7.825 0.222 17613 5632 1 8 . 1 1 91 91 GLU N N 91 119.029 119.029 118.539 0.490 17613 5633 1 8 . 1 1 91 91 GLU HA H 91 4.073 4.073 3.947 0.126 17613 5634 1 8 . 1 1 91 91 GLU C C 91 178.284 178.284 178.688 -0.404 17613 5635 1 8 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.881 -0.752 17613 5636 1 8 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.430 -0.460 17613 5637 1 8 . 1 1 91 91 GLU H H 91 7.940 7.940 7.770 0.170 17613 5638 1 8 . 1 1 92 92 GLU N N 92 118.667 118.667 118.754 -0.087 17613 5639 1 8 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.079 -0.047 17613 5640 1 8 . 1 1 92 92 GLU C C 92 178.103 178.103 179.462 -1.359 17613 5641 1 8 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.153 0.099 17613 5642 1 8 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.387 -0.455 17613 5643 1 8 . 1 1 92 92 GLU H H 92 8.088 8.088 7.667 0.421 17613 5644 1 8 . 1 1 93 93 PHE N N 93 120.118 120.118 119.845 0.273 17613 5645 1 8 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.354 -0.014 17613 5646 1 8 . 1 1 93 93 PHE C C 93 176.894 176.894 177.154 -0.260 17613 5647 1 8 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.397 1.048 17613 5648 1 8 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.439 -0.452 17613 5649 1 8 . 1 1 93 93 PHE H H 93 8.103 8.103 8.008 0.095 17613 5650 1 8 . 1 1 94 94 LYS N N 94 118.941 118.941 121.028 -2.087 17613 5651 1 8 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.788 -0.171 17613 5652 1 8 . 1 1 94 94 LYS C C 94 177.600 177.600 178.395 -0.795 17613 5653 1 8 . 1 1 94 94 LYS CA C 94 60.076 60.076 60.196 -0.120 17613 5654 1 8 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.623 -0.158 17613 5655 1 8 . 1 1 94 94 LYS H H 94 8.606 8.606 8.281 0.325 17613 5656 1 8 . 1 1 95 95 ARG N N 95 117.194 117.194 117.452 -0.258 17613 5657 1 8 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.026 0.124 17613 5658 1 8 . 1 1 95 95 ARG C C 95 179.404 179.404 178.890 0.514 17613 5659 1 8 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.124 -0.021 17613 5660 1 8 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.754 0.065 17613 5661 1 8 . 1 1 95 95 ARG H H 95 8.159 8.159 8.146 0.013 17613 5662 1 8 . 1 1 96 96 LYS N N 96 119.582 119.582 119.802 -0.220 17613 5663 1 8 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.071 -0.006 17613 5664 1 8 . 1 1 96 96 LYS C C 96 179.034 179.034 179.054 -0.020 17613 5665 1 8 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.107 -0.173 17613 5666 1 8 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.158 -0.089 17613 5667 1 8 . 1 1 96 96 LYS H H 96 7.786 7.786 7.525 0.261 17613 5668 1 8 . 1 1 97 97 ILE N N 97 118.550 118.550 118.507 0.043 17613 5669 1 8 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.233 -0.295 17613 5670 1 8 . 1 1 97 97 ILE C C 97 178.284 178.284 178.200 0.084 17613 5671 1 8 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.825 -1.256 17613 5672 1 8 . 1 1 97 97 ILE CB C 97 37.206 37.206 38.046 -0.840 17613 5673 1 8 . 1 1 97 97 ILE H H 97 7.831 7.831 7.272 0.559 17613 5674 1 8 . 1 1 98 98 GLU N N 98 121.984 121.984 120.189 1.795 17613 5675 1 8 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.442 -0.106 17613 5676 1 8 . 1 1 98 98 GLU C C 98 180.040 180.040 178.452 1.588 17613 5677 1 8 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.352 0.598 17613 5678 1 8 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.795 -0.360 17613 5679 1 8 . 1 1 98 98 GLU H H 98 8.670 8.670 8.310 0.360 17613 5680 1 8 . 1 1 99 99 SER N N 99 115.499 115.499 114.913 0.586 17613 5681 1 8 . 1 1 99 99 SER HA H 99 4.343 4.343 4.315 0.028 17613 5682 1 8 . 1 1 99 99 SER C C 99 174.820 174.820 176.011 -1.191 17613 5683 1 8 . 1 1 99 99 SER CA C 99 60.410 60.410 60.824 -0.414 17613 5684 1 8 . 1 1 99 99 SER CB C 99 62.680 62.680 63.163 -0.483 17613 5685 1 8 . 1 1 99 99 SER H H 99 8.099 8.099 7.620 0.479 17613 5686 1 8 . 1 1 100 100 GLN N N 100 119.301 119.301 118.812 0.489 17613 5687 1 8 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.351 -0.041 17613 5688 1 8 . 1 1 100 100 GLN C C 100 175.857 175.857 175.934 -0.077 17613 5689 1 8 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.471 0.455 17613 5690 1 8 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.913 0.299 17613 5691 1 8 . 1 1 100 100 GLN H H 100 7.623 7.623 7.554 0.069 17613 5692 1 8 . 1 1 101 101 GLY N N 101 105.765 105.765 105.852 -0.087 17613 5693 1 8 . 1 1 101 101 GLY C C 101 173.748 173.748 174.639 -0.891 17613 5694 1 8 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.128 0.075 17613 5695 1 8 . 1 1 101 101 GLY H H 101 7.945 7.945 7.447 0.498 17613 5696 1 8 . 1 1 102 102 TYR N N 102 117.993 117.993 119.915 -1.922 17613 5697 1 8 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.438 0.234 17613 5698 1 8 . 1 1 102 102 TYR C C 102 174.747 174.747 175.131 -0.384 17613 5699 1 8 . 1 1 102 102 TYR CA C 102 56.254 56.254 57.291 -1.038 17613 5700 1 8 . 1 1 102 102 TYR CB C 102 39.048 39.048 39.108 -0.060 17613 5701 1 8 . 1 1 102 102 TYR H H 102 6.890 6.890 7.394 -0.504 17613 5702 1 8 . 1 1 103 103 GLU N N 103 122.864 122.864 125.021 -2.157 17613 5703 1 8 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.342 0.165 17613 5704 1 8 . 1 1 103 103 GLU C C 103 174.162 174.162 174.903 -0.741 17613 5705 1 8 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.386 -0.002 17613 5706 1 8 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.835 0.536 17613 5707 1 8 . 1 1 103 103 GLU H H 103 8.318 8.318 8.898 -0.580 17613 5708 1 8 . 1 1 104 104 VAL N N 104 124.342 124.342 126.729 -2.387 17613 5709 1 8 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.549 0.679 17613 5710 1 8 . 1 1 104 104 VAL C C 104 174.235 174.235 175.424 -1.189 17613 5711 1 8 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.991 -2.711 17613 5712 1 8 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.525 1.642 17613 5713 1 8 . 1 1 104 104 VAL H H 104 8.651 8.651 8.273 0.378 17613 5714 1 8 . 1 1 105 105 ARG N N 105 124.856 124.856 128.609 -3.753 17613 5715 1 8 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.823 0.092 17613 5716 1 8 . 1 1 105 105 ARG C C 105 173.917 173.917 175.232 -1.315 17613 5717 1 8 . 1 1 105 105 ARG CA C 105 52.465 52.465 54.333 -1.868 17613 5718 1 8 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.937 -0.982 17613 5719 1 8 . 1 1 105 105 ARG H H 105 8.705 8.705 9.013 -0.308 17613 5720 1 8 . 1 1 106 106 LYS N N 106 121.499 121.499 123.554 -2.055 17613 5721 1 8 . 1 1 106 106 LYS HA H 106 5.578 5.578 4.764 0.814 17613 5722 1 8 . 1 1 106 106 LYS C C 106 174.820 174.820 175.757 -0.937 17613 5723 1 8 . 1 1 106 106 LYS CA C 106 53.868 53.868 56.050 -2.183 17613 5724 1 8 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.118 1.181 17613 5725 1 8 . 1 1 106 106 LYS H H 106 8.807 8.807 8.527 0.280 17613 5726 1 8 . 1 1 107 107 VAL N N 107 118.792 118.792 121.694 -2.902 17613 5727 1 8 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.414 0.201 17613 5728 1 8 . 1 1 107 107 VAL C C 107 173.332 173.332 174.392 -1.060 17613 5729 1 8 . 1 1 107 107 VAL CA C 107 60.222 60.222 61.006 -0.784 17613 5730 1 8 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.459 -0.225 17613 5731 1 8 . 1 1 107 107 VAL H H 107 8.555 8.555 8.083 0.472 17613 5732 1 8 . 1 1 108 108 THR N N 108 114.072 114.072 116.195 -2.123 17613 5733 1 8 . 1 1 108 108 THR HA H 108 4.781 4.781 4.533 0.248 17613 5734 1 8 . 1 1 108 108 THR C C 108 174.625 174.625 174.625 0.000 17613 5735 1 8 . 1 1 108 108 THR CA C 108 62.221 62.221 61.893 0.328 17613 5736 1 8 . 1 1 108 108 THR CB C 108 69.975 69.975 70.195 -0.220 17613 5737 1 8 . 1 1 108 108 THR H H 108 8.604 8.604 8.829 -0.225 17613 5738 1 8 . 1 1 109 109 ASP N N 109 122.574 122.574 123.691 -1.117 17613 5739 1 8 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.628 0.110 17613 5740 1 8 . 1 1 109 109 ASP C C 109 175.796 175.796 176.690 -0.894 17613 5741 1 8 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.855 -1.006 17613 5742 1 8 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.023 1.665 17613 5743 1 8 . 1 1 109 109 ASP H H 109 8.036 8.036 8.084 -0.048 17613 5744 1 8 . 1 1 110 110 ASP N N 110 122.852 122.852 123.430 -0.578 17613 5745 1 8 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.371 -0.276 17613 5746 1 8 . 1 1 110 110 ASP C C 110 177.527 177.527 178.241 -0.714 17613 5747 1 8 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.678 -0.290 17613 5748 1 8 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.799 -0.498 17613 5749 1 8 . 1 1 110 110 ASP H H 110 8.696 8.696 8.656 0.040 17613 5750 1 8 . 1 1 111 111 GLU N N 111 119.144 119.144 119.617 -0.473 17613 5751 1 8 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.100 -0.112 17613 5752 1 8 . 1 1 111 111 GLU C C 111 179.942 179.942 178.956 0.986 17613 5753 1 8 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.131 0.226 17613 5754 1 8 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.376 -0.880 17613 5755 1 8 . 1 1 111 111 GLU H H 111 8.213 8.213 8.539 -0.326 17613 5756 1 8 . 1 1 112 112 GLU N N 112 121.400 121.400 119.472 1.928 17613 5757 1 8 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.104 -0.107 17613 5758 1 8 . 1 1 112 112 GLU C C 112 178.430 178.430 178.103 0.327 17613 5759 1 8 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.547 0.202 17613 5760 1 8 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.378 -0.184 17613 5761 1 8 . 1 1 112 112 GLU H H 112 8.234 8.234 8.482 -0.248 17613 5762 1 8 . 1 1 113 113 ALA N N 113 120.316 120.316 122.591 -2.275 17613 5763 1 8 . 1 1 113 113 ALA HA H 113 3.800 3.800 3.989 -0.189 17613 5764 1 8 . 1 1 113 113 ALA C C 113 178.430 178.430 179.603 -1.173 17613 5765 1 8 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.278 0.104 17613 5766 1 8 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.360 0.241 17613 5767 1 8 . 1 1 113 113 ALA H H 113 8.118 8.118 7.613 0.505 17613 5768 1 8 . 1 1 114 114 LEU N N 114 116.901 116.901 117.262 -0.361 17613 5769 1 8 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.866 -0.153 17613 5770 1 8 . 1 1 114 114 LEU C C 114 178.431 178.431 178.876 -0.445 17613 5771 1 8 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.779 -0.104 17613 5772 1 8 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.621 -0.685 17613 5773 1 8 . 1 1 114 114 LEU H H 114 7.743 7.743 7.623 0.120 17613 5774 1 8 . 1 1 115 115 LYS N N 115 119.066 119.066 116.798 2.268 17613 5775 1 8 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.083 -0.283 17613 5776 1 8 . 1 1 115 115 LYS C C 115 179.404 179.404 178.561 0.843 17613 5777 1 8 . 1 1 115 115 LYS CA C 115 59.883 59.883 58.726 1.157 17613 5778 1 8 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.831 0.347 17613 5779 1 8 . 1 1 115 115 LYS H H 115 7.617 7.617 7.452 0.165 17613 5780 1 8 . 1 1 116 116 ILE N N 116 120.613 120.613 120.732 -0.119 17613 5781 1 8 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.785 -0.326 17613 5782 1 8 . 1 1 116 116 ILE C C 116 177.016 177.016 177.426 -0.410 17613 5783 1 8 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.815 1.307 17613 5784 1 8 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.957 -0.634 17613 5785 1 8 . 1 1 116 116 ILE H H 116 8.004 8.004 7.966 0.038 17613 5786 1 8 . 1 1 117 117 VAL N N 117 120.234 120.234 120.465 -0.231 17613 5787 1 8 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.893 -0.633 17613 5788 1 8 . 1 1 117 117 VAL C C 117 177.746 177.746 178.032 -0.286 17613 5789 1 8 . 1 1 117 117 VAL CA C 117 67.505 67.505 66.741 0.764 17613 5790 1 8 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.791 -0.038 17613 5791 1 8 . 1 1 117 117 VAL H H 117 8.121 8.121 8.102 0.019 17613 5792 1 8 . 1 1 118 118 ARG N N 118 118.415 118.415 118.633 -0.218 17613 5793 1 8 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.958 -0.065 17613 5794 1 8 . 1 1 118 118 ARG C C 118 178.966 178.966 178.131 0.835 17613 5795 1 8 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.124 1.044 17613 5796 1 8 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.532 0.170 17613 5797 1 8 . 1 1 118 118 ARG H H 118 8.026 8.026 7.664 0.362 17613 5798 1 8 . 1 1 119 119 GLU N N 119 122.419 122.419 120.617 1.802 17613 5799 1 8 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.148 -0.121 17613 5800 1 8 . 1 1 119 119 GLU C C 119 179.429 179.429 178.587 0.842 17613 5801 1 8 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.786 0.744 17613 5802 1 8 . 1 1 119 119 GLU CB C 119 28.961 28.961 28.725 0.236 17613 5803 1 8 . 1 1 119 119 GLU H H 119 7.918 7.918 7.445 0.473 17613 5804 1 8 . 1 1 120 120 PHE N N 120 119.597 119.597 118.744 0.853 17613 5805 1 8 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.888 0.134 17613 5806 1 8 . 1 1 120 120 PHE C C 120 177.698 177.698 177.950 -0.252 17613 5807 1 8 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.626 -3.758 17613 5808 1 8 . 1 1 120 120 PHE CB C 120 36.753 36.753 37.940 -1.187 17613 5809 1 8 . 1 1 120 120 PHE H H 120 8.826 8.826 7.019 1.807 17613 5810 1 8 . 1 1 121 121 MET N N 121 116.596 116.596 117.673 -1.077 17613 5811 1 8 . 1 1 121 121 MET HA H 121 3.931 3.931 3.965 -0.034 17613 5812 1 8 . 1 1 121 121 MET C C 121 179.577 179.577 178.917 0.660 17613 5813 1 8 . 1 1 121 121 MET CA C 121 59.785 59.785 58.515 1.270 17613 5814 1 8 . 1 1 121 121 MET CB C 121 33.643 33.643 31.873 1.770 17613 5815 1 8 . 1 1 121 121 MET H H 121 8.317 8.317 8.121 0.196 17613 5816 1 8 . 1 1 122 122 GLN N N 122 120.565 120.565 120.464 0.101 17613 5817 1 8 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.000 0.135 17613 5818 1 8 . 1 1 122 122 GLN C C 122 178.893 178.893 177.997 0.896 17613 5819 1 8 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.354 -0.609 17613 5820 1 8 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.590 -0.570 17613 5821 1 8 . 1 1 122 122 GLN H H 122 8.054 8.054 8.109 -0.055 17613 5822 1 8 . 1 1 123 123 LYS N N 123 121.605 121.605 118.878 2.727 17613 5823 1 8 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.211 -0.186 17613 5824 1 8 . 1 1 123 123 LYS C C 123 179.307 179.307 179.021 0.286 17613 5825 1 8 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.975 0.268 17613 5826 1 8 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.445 -0.139 17613 5827 1 8 . 1 1 123 123 LYS H H 123 8.400 8.400 7.694 0.706 17613 5828 1 8 . 1 1 124 124 ALA N N 124 121.873 121.873 121.176 0.697 17613 5829 1 8 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.402 -0.258 17613 5830 1 8 . 1 1 124 124 ALA C C 124 179.112 179.112 179.796 -0.684 17613 5831 1 8 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.659 -0.007 17613 5832 1 8 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.238 0.695 17613 5833 1 8 . 1 1 124 124 ALA H H 124 8.601 8.601 8.277 0.324 17613 5834 1 8 . 1 1 125 125 GLY N N 125 104.755 104.755 106.030 -1.275 17613 5835 1 8 . 1 1 125 125 GLY C C 125 175.553 175.553 176.223 -0.670 17613 5836 1 8 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.879 -0.588 17613 5837 1 8 . 1 1 125 125 GLY H H 125 7.949 7.949 8.013 -0.064 17613 5838 1 8 . 1 1 126 126 SER N N 126 116.080 116.080 117.500 -1.420 17613 5839 1 8 . 1 1 126 126 SER HA H 126 4.447 4.447 4.650 -0.203 17613 5840 1 8 . 1 1 126 126 SER C C 126 175.504 175.504 176.128 -0.624 17613 5841 1 8 . 1 1 126 126 SER CA C 126 59.965 59.965 61.396 -1.431 17613 5842 1 8 . 1 1 126 126 SER CB C 126 63.460 63.460 63.427 0.033 17613 5843 1 8 . 1 1 126 126 SER H H 126 7.861 7.861 7.552 0.309 17613 5844 1 8 . 1 1 127 127 LEU N N 127 122.372 122.372 120.437 1.935 17613 5845 1 8 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.387 -0.105 17613 5846 1 8 . 1 1 127 127 LEU C C 127 177.990 177.990 178.001 -0.011 17613 5847 1 8 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.178 0.039 17613 5848 1 8 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.857 0.216 17613 5849 1 8 . 1 1 127 127 LEU H H 127 7.882 7.882 7.971 -0.089 17613 5850 1 8 . 1 1 128 128 GLU N N 128 119.775 119.775 119.216 0.559 17613 5851 1 8 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.120 -0.212 17613 5852 1 8 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.265 -0.654 17613 5853 1 8 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.310 0.520 17613 5854 1 8 . 1 1 128 128 GLU H H 128 8.084 8.084 7.889 0.195 17613 5855 1 8 . 1 1 131 131 HIS N N 131 125.272 125.272 123.307 1.965 17613 5856 1 8 . 1 1 131 131 HIS H H 131 8.059 8.059 7.330 0.729 17613 5857 1 9 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.345 0.481 17613 5858 1 9 . 1 1 3 3 ILE C C 3 173.405 173.405 175.312 -1.907 17613 5859 1 9 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.343 -0.787 17613 5860 1 9 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.361 1.147 17613 5861 1 9 . 1 1 3 3 ILE H H 3 8.444 8.444 8.455 -0.011 17613 5862 1 9 . 1 1 4 4 LEU N N 4 127.785 127.785 126.735 1.050 17613 5863 1 9 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.282 0.177 17613 5864 1 9 . 1 1 4 4 LEU C C 4 174.832 174.832 176.438 -1.606 17613 5865 1 9 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.164 0.177 17613 5866 1 9 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.455 1.858 17613 5867 1 9 . 1 1 4 4 LEU H H 4 9.081 9.081 8.809 0.272 17613 5868 1 9 . 1 1 5 5 ILE N N 5 123.010 123.010 124.698 -1.688 17613 5869 1 9 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.436 0.397 17613 5870 1 9 . 1 1 5 5 ILE C C 5 173.357 173.357 174.864 -1.507 17613 5871 1 9 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.163 1.381 17613 5872 1 9 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.336 3.196 17613 5873 1 9 . 1 1 5 5 ILE H H 5 8.765 8.765 8.162 0.603 17613 5874 1 9 . 1 1 6 6 LEU N N 6 129.320 129.320 130.248 -0.928 17613 5875 1 9 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.146 0.200 17613 5876 1 9 . 1 1 6 6 LEU C C 6 174.795 174.795 175.109 -0.314 17613 5877 1 9 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.141 -0.141 17613 5878 1 9 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.489 1.039 17613 5879 1 9 . 1 1 6 6 LEU H H 6 9.235 9.235 8.444 0.791 17613 5880 1 9 . 1 1 7 7 ILE N N 7 120.746 120.746 125.703 -4.957 17613 5881 1 9 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.569 0.612 17613 5882 1 9 . 1 1 7 7 ILE C C 7 173.819 173.819 173.822 -0.003 17613 5883 1 9 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.285 -2.070 17613 5884 1 9 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.197 -1.043 17613 5885 1 9 . 1 1 7 7 ILE H H 7 8.931 8.931 8.934 -0.003 17613 5886 1 9 . 1 1 8 8 ASN N N 8 125.539 125.539 125.913 -0.374 17613 5887 1 9 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.894 0.008 17613 5888 1 9 . 1 1 8 8 ASN C C 8 176.478 176.478 173.830 2.648 17613 5889 1 9 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.131 -1.027 17613 5890 1 9 . 1 1 8 8 ASN CB C 8 42.582 42.582 42.130 0.452 17613 5891 1 9 . 1 1 8 8 ASN H H 8 8.634 8.634 9.065 -0.431 17613 5892 1 9 . 1 1 9 9 THR N N 9 118.493 118.493 119.826 -1.333 17613 5893 1 9 . 1 1 9 9 THR HA H 9 4.739 4.739 4.904 -0.165 17613 5894 1 9 . 1 1 9 9 THR C C 9 170.114 170.114 174.256 -4.142 17613 5895 1 9 . 1 1 9 9 THR CA C 9 60.689 60.689 59.480 1.209 17613 5896 1 9 . 1 1 9 9 THR CB C 9 67.766 67.766 71.349 -3.583 17613 5897 1 9 . 1 1 9 9 THR H H 9 8.044 8.044 8.126 -0.082 17613 5898 1 9 . 1 1 10 10 ASN N N 10 123.266 123.266 124.839 -1.573 17613 5899 1 9 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.860 0.107 17613 5900 1 9 . 1 1 10 10 ASN C C 10 174.601 174.601 174.675 -0.074 17613 5901 1 9 . 1 1 10 10 ASN CA C 10 51.844 51.844 53.808 -1.964 17613 5902 1 9 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.185 0.131 17613 5903 1 9 . 1 1 10 10 ASN H H 10 8.440 8.440 8.566 -0.126 17613 5904 1 9 . 1 1 11 11 ASN N N 11 120.920 120.920 119.661 1.259 17613 5905 1 9 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.969 -0.276 17613 5906 1 9 . 1 1 11 11 ASN C C 11 174.333 174.333 174.750 -0.417 17613 5907 1 9 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.354 0.082 17613 5908 1 9 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.750 -1.401 17613 5909 1 9 . 1 1 11 11 ASN H H 11 8.366 8.366 7.666 0.700 17613 5910 1 9 . 1 1 12 12 ASP N N 12 126.315 126.315 124.068 2.247 17613 5911 1 9 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.310 -0.037 17613 5912 1 9 . 1 1 12 12 ASP C C 12 178.089 178.089 176.935 1.154 17613 5913 1 9 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.364 0.244 17613 5914 1 9 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.819 0.342 17613 5915 1 9 . 1 1 12 12 ASP H H 12 8.586 8.586 8.905 -0.319 17613 5916 1 9 . 1 1 13 13 GLU N N 13 119.325 119.325 119.871 -0.546 17613 5917 1 9 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.055 -0.029 17613 5918 1 9 . 1 1 13 13 GLU C C 13 178.893 178.893 178.576 0.317 17613 5919 1 9 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.101 -0.095 17613 5920 1 9 . 1 1 13 13 GLU CB C 13 28.709 28.709 28.933 -0.224 17613 5921 1 9 . 1 1 13 13 GLU H H 13 8.289 8.289 8.402 -0.113 17613 5922 1 9 . 1 1 14 14 LEU N N 14 121.683 121.683 118.741 2.942 17613 5923 1 9 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.109 -0.124 17613 5924 1 9 . 1 1 14 14 LEU C C 14 178.309 178.309 178.991 -0.682 17613 5925 1 9 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.118 0.143 17613 5926 1 9 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.755 -0.650 17613 5927 1 9 . 1 1 14 14 LEU H H 14 7.577 7.577 7.699 -0.122 17613 5928 1 9 . 1 1 15 15 ILE N N 15 119.483 119.483 119.331 0.152 17613 5929 1 9 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.576 -0.357 17613 5930 1 9 . 1 1 15 15 ILE C C 15 177.138 177.138 177.850 -0.712 17613 5931 1 9 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.314 1.276 17613 5932 1 9 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.547 -0.123 17613 5933 1 9 . 1 1 15 15 ILE H H 15 8.238 8.238 7.163 1.075 17613 5934 1 9 . 1 1 16 16 LYS N N 16 117.596 117.596 118.887 -1.291 17613 5935 1 9 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.001 -0.158 17613 5936 1 9 . 1 1 16 16 LYS C C 16 179.577 179.577 179.117 0.460 17613 5937 1 9 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.342 0.827 17613 5938 1 9 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.970 0.194 17613 5939 1 9 . 1 1 16 16 LYS H H 16 7.604 7.604 7.543 0.061 17613 5940 1 9 . 1 1 17 17 LYS N N 17 118.832 118.832 119.833 -1.001 17613 5941 1 9 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.093 -0.101 17613 5942 1 9 . 1 1 17 17 LYS C C 17 179.380 179.380 179.016 0.364 17613 5943 1 9 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.407 0.433 17613 5944 1 9 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.534 0.531 17613 5945 1 9 . 1 1 17 17 LYS H H 17 7.583 7.583 7.710 -0.127 17613 5946 1 9 . 1 1 18 18 ILE N N 18 120.961 120.961 120.343 0.618 17613 5947 1 9 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.651 -0.279 17613 5948 1 9 . 1 1 18 18 ILE C C 18 176.967 176.967 177.662 -0.695 17613 5949 1 9 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.010 0.464 17613 5950 1 9 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.639 -0.083 17613 5951 1 9 . 1 1 18 18 ILE H H 18 8.785 8.785 8.181 0.604 17613 5952 1 9 . 1 1 19 19 LYS N N 19 118.324 118.324 118.964 -0.640 17613 5953 1 9 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.924 -0.244 17613 5954 1 9 . 1 1 19 19 LYS C C 19 177.746 177.746 178.844 -1.098 17613 5955 1 9 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.764 1.089 17613 5956 1 9 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.135 0.191 17613 5957 1 9 . 1 1 19 19 LYS H H 19 8.532 8.532 7.938 0.594 17613 5958 1 9 . 1 1 20 20 LYS N N 20 116.284 116.284 118.684 -2.400 17613 5959 1 9 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.168 -0.081 17613 5960 1 9 . 1 1 20 20 LYS C C 20 178.406 178.406 179.102 -0.696 17613 5961 1 9 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.356 0.183 17613 5962 1 9 . 1 1 20 20 LYS CB C 20 31.981 31.981 32.023 -0.042 17613 5963 1 9 . 1 1 20 20 LYS H H 20 7.303 7.303 7.499 -0.196 17613 5964 1 9 . 1 1 21 21 GLU N N 21 118.488 118.488 118.986 -0.498 17613 5965 1 9 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.078 -0.115 17613 5966 1 9 . 1 1 21 21 GLU C C 21 179.088 179.088 179.460 -0.372 17613 5967 1 9 . 1 1 21 21 GLU CA C 21 58.894 58.894 58.977 -0.083 17613 5968 1 9 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.589 -0.155 17613 5969 1 9 . 1 1 21 21 GLU H H 21 7.665 7.665 7.919 -0.254 17613 5970 1 9 . 1 1 22 22 VAL N N 22 109.032 109.032 112.539 -3.507 17613 5971 1 9 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.170 -0.038 17613 5972 1 9 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.291 -0.492 17613 5973 1 9 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.956 -2.127 17613 5974 1 9 . 1 1 22 22 VAL H H 22 8.037 8.037 8.076 -0.039 17613 5975 1 9 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.594 0.123 17613 5976 1 9 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.307 3.501 17613 5977 1 9 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.478 -0.307 17613 5978 1 9 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.532 0.114 17613 5979 1 9 . 1 1 25 25 GLN C C 25 175.692 175.692 176.376 -0.684 17613 5980 1 9 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.588 0.430 17613 5981 1 9 . 1 1 26 26 GLY N N 26 106.368 106.368 108.396 -2.028 17613 5982 1 9 . 1 1 26 26 GLY C C 26 174.382 174.382 174.158 0.224 17613 5983 1 9 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.718 0.239 17613 5984 1 9 . 1 1 26 26 GLY H H 26 8.020 8.020 7.645 0.375 17613 5985 1 9 . 1 1 27 27 TYR N N 27 119.082 119.082 119.375 -0.293 17613 5986 1 9 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.526 -0.093 17613 5987 1 9 . 1 1 27 27 TYR C C 27 174.528 174.528 175.512 -0.984 17613 5988 1 9 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.892 0.162 17613 5989 1 9 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.077 -0.072 17613 5990 1 9 . 1 1 27 27 TYR H H 27 7.845 7.845 7.830 0.015 17613 5991 1 9 . 1 1 28 28 GLN N N 28 120.362 120.362 123.864 -3.502 17613 5992 1 9 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.409 0.090 17613 5993 1 9 . 1 1 28 28 GLN C C 28 174.625 174.625 175.414 -0.789 17613 5994 1 9 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.021 -0.641 17613 5995 1 9 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.526 1.929 17613 5996 1 9 . 1 1 28 28 GLN H H 28 8.338 8.338 8.334 0.004 17613 5997 1 9 . 1 1 29 29 VAL N N 29 123.482 123.482 124.960 -1.478 17613 5998 1 9 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.466 0.577 17613 5999 1 9 . 1 1 29 29 VAL C C 29 175.820 175.820 176.145 -0.325 17613 6000 1 9 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.371 -0.883 17613 6001 1 9 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.284 0.189 17613 6002 1 9 . 1 1 29 29 VAL H H 29 8.776 8.776 8.423 0.353 17613 6003 1 9 . 1 1 30 30 ARG N N 30 127.787 127.787 128.205 -0.418 17613 6004 1 9 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.771 -0.031 17613 6005 1 9 . 1 1 30 30 ARG C C 30 173.332 173.332 174.091 -0.759 17613 6006 1 9 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.096 0.692 17613 6007 1 9 . 1 1 30 30 ARG CB C 30 32.391 32.391 33.946 -1.555 17613 6008 1 9 . 1 1 30 30 ARG H H 30 9.135 9.135 9.129 0.006 17613 6009 1 9 . 1 1 31 31 ASP N N 31 121.895 121.895 120.530 1.365 17613 6010 1 9 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.425 -0.215 17613 6011 1 9 . 1 1 31 31 ASP C C 31 175.282 175.282 174.859 0.423 17613 6012 1 9 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.917 0.453 17613 6013 1 9 . 1 1 31 31 ASP CB C 31 42.722 42.722 44.000 -1.278 17613 6014 1 9 . 1 1 31 31 ASP H H 31 8.377 8.377 8.448 -0.071 17613 6015 1 9 . 1 1 32 32 VAL N N 32 120.426 120.426 121.535 -1.109 17613 6016 1 9 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.309 -0.061 17613 6017 1 9 . 1 1 32 32 VAL C C 32 174.114 174.114 174.912 -0.798 17613 6018 1 9 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.321 0.236 17613 6019 1 9 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.401 0.483 17613 6020 1 9 . 1 1 32 32 VAL H H 32 8.441 8.441 8.375 0.066 17613 6021 1 9 . 1 1 33 33 ASN N N 33 122.700 122.700 124.652 -1.952 17613 6022 1 9 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.747 0.230 17613 6023 1 9 . 1 1 33 33 ASN C C 33 174.235 174.235 174.408 -0.173 17613 6024 1 9 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.368 0.028 17613 6025 1 9 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.086 0.783 17613 6026 1 9 . 1 1 33 33 ASN H H 33 9.550 9.550 8.829 0.721 17613 6027 1 9 . 1 1 34 34 ASP N N 34 114.885 114.885 118.534 -3.649 17613 6028 1 9 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.920 -0.217 17613 6029 1 9 . 1 1 34 34 ASP C C 34 175.626 175.626 176.242 -0.616 17613 6030 1 9 . 1 1 34 34 ASP CA C 34 53.483 53.483 53.389 0.094 17613 6031 1 9 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.926 -1.530 17613 6032 1 9 . 1 1 34 34 ASP H H 34 7.616 7.616 7.893 -0.277 17613 6033 1 9 . 1 1 35 35 SER N N 35 114.381 114.381 118.039 -3.658 17613 6034 1 9 . 1 1 35 35 SER HA H 35 4.046 4.046 4.110 -0.064 17613 6035 1 9 . 1 1 35 35 SER C C 35 175.991 175.991 176.142 -0.151 17613 6036 1 9 . 1 1 35 35 SER CA C 35 61.446 61.446 62.066 -0.620 17613 6037 1 9 . 1 1 35 35 SER CB C 35 62.764 62.764 63.199 -0.435 17613 6038 1 9 . 1 1 35 35 SER H H 35 8.869 8.869 8.864 0.005 17613 6039 1 9 . 1 1 36 36 ASP N N 36 124.695 124.695 120.036 4.659 17613 6040 1 9 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.480 0.039 17613 6041 1 9 . 1 1 36 36 ASP C C 36 179.136 179.136 178.698 0.438 17613 6042 1 9 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.229 0.439 17613 6043 1 9 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.764 -0.479 17613 6044 1 9 . 1 1 36 36 ASP H H 36 8.388 8.388 8.553 -0.165 17613 6045 1 9 . 1 1 37 37 GLU N N 37 122.449 122.449 119.433 3.016 17613 6046 1 9 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.136 -0.077 17613 6047 1 9 . 1 1 37 37 GLU C C 37 178.698 178.698 178.695 0.003 17613 6048 1 9 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.696 0.513 17613 6049 1 9 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.083 0.638 17613 6050 1 9 . 1 1 37 37 GLU H H 37 9.009 9.009 8.603 0.406 17613 6051 1 9 . 1 1 38 38 LEU N N 38 119.580 119.580 122.448 -2.868 17613 6052 1 9 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.926 -0.015 17613 6053 1 9 . 1 1 38 38 LEU C C 38 177.649 177.649 178.627 -0.978 17613 6054 1 9 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.500 0.633 17613 6055 1 9 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.983 -0.914 17613 6056 1 9 . 1 1 38 38 LEU H H 38 8.203 8.203 8.073 0.130 17613 6057 1 9 . 1 1 39 39 LYS N N 39 118.404 118.404 117.839 0.565 17613 6058 1 9 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.955 -0.114 17613 6059 1 9 . 1 1 39 39 LYS C C 39 179.577 179.577 179.071 0.506 17613 6060 1 9 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.998 -0.133 17613 6061 1 9 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.090 -0.042 17613 6062 1 9 . 1 1 39 39 LYS H H 39 7.829 7.829 7.778 0.051 17613 6063 1 9 . 1 1 40 40 LYS N N 40 119.271 119.271 118.871 0.400 17613 6064 1 9 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.096 -0.074 17613 6065 1 9 . 1 1 40 40 LYS C C 40 179.577 179.577 179.193 0.384 17613 6066 1 9 . 1 1 40 40 LYS CA C 40 59.590 59.590 59.302 0.288 17613 6067 1 9 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.217 0.183 17613 6068 1 9 . 1 1 40 40 LYS H H 40 7.779 7.779 7.723 0.056 17613 6069 1 9 . 1 1 41 41 GLU N N 41 119.647 119.647 119.147 0.500 17613 6070 1 9 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.213 0.050 17613 6071 1 9 . 1 1 41 41 GLU C C 41 179.504 179.504 178.664 0.840 17613 6072 1 9 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.573 -0.499 17613 6073 1 9 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.552 -1.306 17613 6074 1 9 . 1 1 41 41 GLU H H 41 8.721 8.721 8.021 0.700 17613 6075 1 9 . 1 1 42 42 MET N N 42 118.114 118.114 118.585 -0.471 17613 6076 1 9 . 1 1 42 42 MET HA H 42 4.383 4.383 4.280 0.103 17613 6077 1 9 . 1 1 42 42 MET C C 42 179.185 179.185 178.527 0.658 17613 6078 1 9 . 1 1 42 42 MET CA C 42 57.054 57.054 57.792 -0.738 17613 6079 1 9 . 1 1 42 42 MET CB C 42 31.254 31.254 31.908 -0.654 17613 6080 1 9 . 1 1 42 42 MET H H 42 8.779 8.779 8.419 0.360 17613 6081 1 9 . 1 1 43 43 LYS N N 43 120.740 120.740 119.547 1.193 17613 6082 1 9 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.043 0.045 17613 6083 1 9 . 1 1 43 43 LYS C C 43 178.187 178.187 178.875 -0.688 17613 6084 1 9 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.276 0.114 17613 6085 1 9 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.169 -0.207 17613 6086 1 9 . 1 1 43 43 LYS H H 43 7.499 7.499 7.525 -0.026 17613 6087 1 9 . 1 1 44 44 LYS N N 44 118.269 118.269 119.762 -1.493 17613 6088 1 9 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.218 -0.157 17613 6089 1 9 . 1 1 44 44 LYS C C 44 179.601 179.601 179.341 0.260 17613 6090 1 9 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.970 0.530 17613 6091 1 9 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.987 0.083 17613 6092 1 9 . 1 1 44 44 LYS H H 44 7.445 7.445 7.590 -0.145 17613 6093 1 9 . 1 1 45 45 LEU N N 45 117.785 117.785 118.004 -0.219 17613 6094 1 9 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.155 -0.007 17613 6095 1 9 . 1 1 45 45 LEU C C 45 178.357 178.357 179.697 -1.340 17613 6096 1 9 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.911 -0.724 17613 6097 1 9 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.617 0.156 17613 6098 1 9 . 1 1 45 45 LEU H H 45 8.161 8.161 7.894 0.267 17613 6099 1 9 . 1 1 46 46 ALA N N 46 118.538 118.538 120.343 -1.805 17613 6100 1 9 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.534 -0.282 17613 6101 1 9 . 1 1 46 46 ALA C C 46 178.893 178.893 178.915 -0.022 17613 6102 1 9 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.841 -0.169 17613 6103 1 9 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.902 -0.021 17613 6104 1 9 . 1 1 46 46 ALA H H 46 7.637 7.637 7.907 -0.270 17613 6105 1 9 . 1 1 47 47 GLU N N 47 115.492 115.492 118.592 -3.100 17613 6106 1 9 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.289 -0.039 17613 6107 1 9 . 1 1 47 47 GLU C C 47 176.478 176.478 177.135 -0.657 17613 6108 1 9 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.835 -0.904 17613 6109 1 9 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.591 -0.174 17613 6110 1 9 . 1 1 47 47 GLU H H 47 7.713 7.713 8.116 -0.403 17613 6111 1 9 . 1 1 48 48 GLU N N 48 120.573 120.573 120.971 -0.398 17613 6112 1 9 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.369 0.004 17613 6113 1 9 . 1 1 48 48 GLU C C 48 173.624 173.624 175.796 -2.172 17613 6114 1 9 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.458 0.563 17613 6115 1 9 . 1 1 48 48 GLU CB C 48 29.910 29.910 29.074 0.836 17613 6116 1 9 . 1 1 48 48 GLU H H 48 7.748 7.748 8.054 -0.306 17613 6117 1 9 . 1 1 49 49 LYS N N 49 124.420 124.420 122.242 2.178 17613 6118 1 9 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.324 -0.006 17613 6119 1 9 . 1 1 49 49 LYS C C 49 176.843 176.843 176.025 0.818 17613 6120 1 9 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.403 0.114 17613 6121 1 9 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.616 -0.154 17613 6122 1 9 . 1 1 49 49 LYS H H 49 8.607 8.607 7.675 0.932 17613 6123 1 9 . 1 1 50 50 ASN N N 50 117.993 117.993 117.598 0.395 17613 6124 1 9 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.553 0.071 17613 6125 1 9 . 1 1 50 50 ASN C C 50 176.454 176.454 175.932 0.522 17613 6126 1 9 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.908 -0.353 17613 6127 1 9 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.199 -0.163 17613 6128 1 9 . 1 1 50 50 ASN H H 50 8.723 8.723 7.801 0.922 17613 6129 1 9 . 1 1 51 51 PHE N N 51 120.700 120.700 122.059 -1.359 17613 6130 1 9 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.447 0.311 17613 6131 1 9 . 1 1 51 51 PHE CA C 51 57.935 57.935 59.778 -1.843 17613 6132 1 9 . 1 1 51 51 PHE CB C 51 38.975 38.975 39.580 -0.605 17613 6133 1 9 . 1 1 51 51 PHE H H 51 8.341 8.341 8.856 -0.515 17613 6134 1 9 . 1 1 52 52 GLU HA H 52 4.258 4.258 3.974 0.284 17613 6135 1 9 . 1 1 52 52 GLU C C 52 173.600 173.600 175.417 -1.817 17613 6136 1 9 . 1 1 52 52 GLU CA C 52 56.254 56.254 57.324 -1.070 17613 6137 1 9 . 1 1 52 52 GLU CB C 52 33.459 33.459 29.604 3.856 17613 6138 1 9 . 1 1 53 53 LYS N N 53 119.964 119.964 122.638 -2.674 17613 6139 1 9 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.228 0.461 17613 6140 1 9 . 1 1 53 53 LYS C C 53 174.430 174.430 175.550 -1.120 17613 6141 1 9 . 1 1 53 53 LYS CA C 53 55.356 55.356 54.842 0.514 17613 6142 1 9 . 1 1 53 53 LYS CB C 53 31.445 31.445 32.578 -1.133 17613 6143 1 9 . 1 1 53 53 LYS H H 53 7.962 7.962 8.363 -0.401 17613 6144 1 9 . 1 1 54 54 ILE N N 54 124.730 124.730 123.131 1.599 17613 6145 1 9 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.718 0.128 17613 6146 1 9 . 1 1 54 54 ILE C C 54 173.089 173.089 174.872 -1.783 17613 6147 1 9 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.624 0.640 17613 6148 1 9 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.790 3.163 17613 6149 1 9 . 1 1 54 54 ILE H H 54 8.804 8.804 7.990 0.814 17613 6150 1 9 . 1 1 55 55 LEU N N 55 130.086 130.086 129.001 1.085 17613 6151 1 9 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.977 0.664 17613 6152 1 9 . 1 1 55 55 LEU C C 55 174.430 174.430 174.919 -0.489 17613 6153 1 9 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.617 -0.115 17613 6154 1 9 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.484 0.718 17613 6155 1 9 . 1 1 55 55 LEU H H 55 9.103 9.103 8.467 0.636 17613 6156 1 9 . 1 1 56 56 ILE N N 56 125.983 125.983 126.834 -0.851 17613 6157 1 9 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.973 0.084 17613 6158 1 9 . 1 1 56 56 ILE C C 56 174.089 174.089 175.322 -1.233 17613 6159 1 9 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.653 0.457 17613 6160 1 9 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.412 1.411 17613 6161 1 9 . 1 1 56 56 ILE H H 56 9.182 9.182 8.418 0.764 17613 6162 1 9 . 1 1 57 57 ILE N N 57 127.241 127.241 128.030 -0.789 17613 6163 1 9 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.281 -0.369 17613 6164 1 9 . 1 1 57 57 ILE C C 57 174.869 174.869 175.175 -0.306 17613 6165 1 9 . 1 1 57 57 ILE CA C 57 59.255 59.255 59.797 -0.542 17613 6166 1 9 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.941 -1.990 17613 6167 1 9 . 1 1 57 57 ILE H H 57 8.541 8.541 8.869 -0.328 17613 6168 1 9 . 1 1 58 58 SER N N 58 119.270 119.270 118.001 1.269 17613 6169 1 9 . 1 1 58 58 SER HA H 58 5.007 5.007 5.069 -0.062 17613 6170 1 9 . 1 1 58 58 SER C C 58 174.211 174.211 173.738 0.473 17613 6171 1 9 . 1 1 58 58 SER CA C 58 56.727 56.727 55.843 0.884 17613 6172 1 9 . 1 1 58 58 SER CB C 58 66.615 66.615 65.468 1.147 17613 6173 1 9 . 1 1 58 58 SER H H 58 8.810 8.810 8.570 0.240 17613 6174 1 9 . 1 1 59 59 ASN N N 59 122.382 122.382 122.242 0.140 17613 6175 1 9 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.329 -0.618 17613 6176 1 9 . 1 1 59 59 ASN C C 59 174.795 174.795 174.808 -0.013 17613 6177 1 9 . 1 1 59 59 ASN CA C 59 52.507 52.507 54.542 -2.035 17613 6178 1 9 . 1 1 59 59 ASN CB C 59 38.962 38.962 40.042 -1.080 17613 6179 1 9 . 1 1 59 59 ASN H H 59 8.794 8.794 9.021 -0.227 17613 6180 1 9 . 1 1 60 60 ASP N N 60 119.744 119.744 119.116 0.628 17613 6181 1 9 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.804 0.059 17613 6182 1 9 . 1 1 60 60 ASP C C 60 176.015 176.015 176.670 -0.655 17613 6183 1 9 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.651 0.446 17613 6184 1 9 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.599 0.350 17613 6185 1 9 . 1 1 60 60 ASP H H 60 7.857 7.857 7.661 0.196 17613 6186 1 9 . 1 1 61 61 LYS N N 61 125.818 125.818 126.333 -0.515 17613 6187 1 9 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.085 -0.363 17613 6188 1 9 . 1 1 61 61 LYS C C 61 177.673 177.673 178.215 -0.542 17613 6189 1 9 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.626 0.006 17613 6190 1 9 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.288 -0.770 17613 6191 1 9 . 1 1 61 61 LYS H H 61 8.904 8.904 8.650 0.254 17613 6192 1 9 . 1 1 62 62 GLN N N 62 118.918 118.918 119.924 -1.006 17613 6193 1 9 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.225 -0.120 17613 6194 1 9 . 1 1 62 62 GLN C C 62 178.747 178.747 177.885 0.862 17613 6195 1 9 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.604 -0.303 17613 6196 1 9 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.858 -0.410 17613 6197 1 9 . 1 1 62 62 GLN H H 62 8.434 8.434 7.769 0.665 17613 6198 1 9 . 1 1 63 63 LEU N N 63 120.071 120.071 120.584 -0.513 17613 6199 1 9 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.949 0.185 17613 6200 1 9 . 1 1 63 63 LEU C C 63 178.552 178.552 178.976 -0.424 17613 6201 1 9 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.985 -1.342 17613 6202 1 9 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.659 -0.765 17613 6203 1 9 . 1 1 63 63 LEU H H 63 7.671 7.671 8.256 -0.585 17613 6204 1 9 . 1 1 64 64 LEU N N 64 117.705 117.705 119.511 -1.806 17613 6205 1 9 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.845 0.062 17613 6206 1 9 . 1 1 64 64 LEU C C 64 172.526 172.526 178.462 -5.936 17613 6207 1 9 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.423 -0.645 17613 6208 1 9 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.838 -0.488 17613 6209 1 9 . 1 1 64 64 LEU H H 64 7.626 7.626 7.780 -0.154 17613 6210 1 9 . 1 1 65 65 LYS N N 65 118.311 118.311 119.126 -0.815 17613 6211 1 9 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.848 -0.054 17613 6212 1 9 . 1 1 65 65 LYS C C 65 178.479 178.479 179.038 -0.559 17613 6213 1 9 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.151 0.075 17613 6214 1 9 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.190 0.076 17613 6215 1 9 . 1 1 65 65 LYS H H 65 8.038 8.038 7.797 0.241 17613 6216 1 9 . 1 1 66 66 GLU N N 66 119.362 119.362 118.261 1.101 17613 6217 1 9 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.073 -0.047 17613 6218 1 9 . 1 1 66 66 GLU C C 66 178.893 178.893 179.256 -0.363 17613 6219 1 9 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.488 0.631 17613 6220 1 9 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.141 0.121 17613 6221 1 9 . 1 1 66 66 GLU H H 66 7.803 7.803 7.767 0.036 17613 6222 1 9 . 1 1 67 67 MET N N 67 118.398 118.398 120.864 -2.466 17613 6223 1 9 . 1 1 67 67 MET HA H 67 3.948 3.948 4.120 -0.172 17613 6224 1 9 . 1 1 67 67 MET C C 67 177.527 177.527 178.530 -1.003 17613 6225 1 9 . 1 1 67 67 MET CA C 67 59.963 59.963 58.416 1.546 17613 6226 1 9 . 1 1 67 67 MET CB C 67 33.443 33.443 32.527 0.916 17613 6227 1 9 . 1 1 67 67 MET H H 67 8.394 8.394 8.277 0.117 17613 6228 1 9 . 1 1 68 68 LEU N N 68 118.269 118.269 118.120 0.149 17613 6229 1 9 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.778 0.001 17613 6230 1 9 . 1 1 68 68 LEU C C 68 178.869 178.869 179.398 -0.529 17613 6231 1 9 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.578 0.363 17613 6232 1 9 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.043 -0.168 17613 6233 1 9 . 1 1 68 68 LEU H H 68 8.471 8.471 7.991 0.480 17613 6234 1 9 . 1 1 69 69 GLU N N 69 118.681 118.681 119.762 -1.081 17613 6235 1 9 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.092 -0.037 17613 6236 1 9 . 1 1 69 69 GLU C C 69 179.063 179.063 179.346 -0.283 17613 6237 1 9 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.460 -0.036 17613 6238 1 9 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.662 -0.522 17613 6239 1 9 . 1 1 69 69 GLU H H 69 7.627 7.627 7.943 -0.316 17613 6240 1 9 . 1 1 70 70 LEU N N 70 119.503 119.503 119.936 -0.433 17613 6241 1 9 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.089 0.072 17613 6242 1 9 . 1 1 70 70 LEU C C 70 179.699 179.699 179.080 0.619 17613 6243 1 9 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.504 0.270 17613 6244 1 9 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.024 -0.080 17613 6245 1 9 . 1 1 70 70 LEU H H 70 7.717 7.717 7.764 -0.047 17613 6246 1 9 . 1 1 71 71 ILE N N 71 116.791 116.791 119.647 -2.856 17613 6247 1 9 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.630 0.107 17613 6248 1 9 . 1 1 71 71 ILE C C 71 178.357 178.357 177.997 0.360 17613 6249 1 9 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.402 -1.160 17613 6250 1 9 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.563 0.338 17613 6251 1 9 . 1 1 71 71 ILE H H 71 8.598 8.598 8.371 0.227 17613 6252 1 9 . 1 1 72 72 SER N N 72 116.517 116.517 115.222 1.295 17613 6253 1 9 . 1 1 72 72 SER HA H 72 4.365 4.365 4.264 0.101 17613 6254 1 9 . 1 1 72 72 SER C C 72 176.845 176.845 176.025 0.820 17613 6255 1 9 . 1 1 72 72 SER CA C 72 61.365 61.365 61.244 0.121 17613 6256 1 9 . 1 1 72 72 SER CB C 72 62.780 62.780 63.011 -0.231 17613 6257 1 9 . 1 1 72 72 SER H H 72 8.023 8.023 8.004 0.019 17613 6258 1 9 . 1 1 73 73 LYS N N 73 120.731 120.731 119.632 1.099 17613 6259 1 9 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.122 0.169 17613 6260 1 9 . 1 1 73 73 LYS C C 73 177.771 177.771 178.481 -0.710 17613 6261 1 9 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.228 -0.752 17613 6262 1 9 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.396 -0.250 17613 6263 1 9 . 1 1 73 73 LYS H H 73 7.723 7.723 7.358 0.365 17613 6264 1 9 . 1 1 74 74 LEU N N 74 117.572 117.572 117.624 -0.052 17613 6265 1 9 . 1 1 74 74 LEU HA H 74 4.227 4.227 3.952 0.275 17613 6266 1 9 . 1 1 74 74 LEU C C 74 177.332 177.332 177.431 -0.099 17613 6267 1 9 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.490 -0.291 17613 6268 1 9 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.240 -0.754 17613 6269 1 9 . 1 1 74 74 LEU H H 74 7.609 7.609 7.524 0.085 17613 6270 1 9 . 1 1 75 75 GLY N N 75 105.991 105.991 105.865 0.126 17613 6271 1 9 . 1 1 75 75 GLY C C 75 174.771 174.771 174.070 0.701 17613 6272 1 9 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.024 0.818 17613 6273 1 9 . 1 1 75 75 GLY H H 75 7.925 7.925 7.742 0.183 17613 6274 1 9 . 1 1 76 76 TYR N N 76 118.452 118.452 118.394 0.058 17613 6275 1 9 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.716 0.062 17613 6276 1 9 . 1 1 76 76 TYR C C 76 175.234 175.234 175.161 0.073 17613 6277 1 9 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.057 -0.553 17613 6278 1 9 . 1 1 76 76 TYR CB C 76 37.962 37.962 40.814 -2.852 17613 6279 1 9 . 1 1 76 76 TYR H H 76 7.366 7.366 7.455 -0.089 17613 6280 1 9 . 1 1 77 77 LYS N N 77 122.866 122.866 122.814 0.052 17613 6281 1 9 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.444 0.104 17613 6282 1 9 . 1 1 77 77 LYS C C 77 174.138 174.138 175.390 -1.252 17613 6283 1 9 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.720 -0.650 17613 6284 1 9 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.679 -0.462 17613 6285 1 9 . 1 1 77 77 LYS H H 77 8.290 8.290 8.863 -0.573 17613 6286 1 9 . 1 1 78 78 VAL N N 78 124.071 124.071 126.093 -2.022 17613 6287 1 9 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.008 0.158 17613 6288 1 9 . 1 1 78 78 VAL C C 78 174.162 174.162 174.647 -0.485 17613 6289 1 9 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.722 -0.493 17613 6290 1 9 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.392 0.963 17613 6291 1 9 . 1 1 78 78 VAL H H 78 7.830 7.830 8.441 -0.611 17613 6292 1 9 . 1 1 79 79 PHE N N 79 126.174 126.174 125.833 0.341 17613 6293 1 9 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.643 -0.076 17613 6294 1 9 . 1 1 79 79 PHE C C 79 173.357 173.357 173.868 -0.511 17613 6295 1 9 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.622 -0.669 17613 6296 1 9 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.847 -0.663 17613 6297 1 9 . 1 1 79 79 PHE H H 79 8.374 8.374 8.396 -0.022 17613 6298 1 9 . 1 1 80 80 LEU N N 80 123.959 123.959 125.987 -2.028 17613 6299 1 9 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.227 0.319 17613 6300 1 9 . 1 1 80 80 LEU C C 80 173.503 173.503 174.284 -0.781 17613 6301 1 9 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.800 1.198 17613 6302 1 9 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.670 -0.003 17613 6303 1 9 . 1 1 80 80 LEU H H 80 8.601 8.601 8.945 -0.344 17613 6304 1 9 . 1 1 81 81 LEU N N 81 126.694 126.694 128.200 -1.506 17613 6305 1 9 . 1 1 81 81 LEU HA H 81 5.269 5.269 4.929 0.340 17613 6306 1 9 . 1 1 81 81 LEU C C 81 173.649 173.649 174.311 -0.662 17613 6307 1 9 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.551 -0.487 17613 6308 1 9 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.107 0.670 17613 6309 1 9 . 1 1 81 81 LEU H H 81 9.063 9.063 8.711 0.352 17613 6310 1 9 . 1 1 82 82 LEU N N 82 124.888 124.888 128.162 -3.274 17613 6311 1 9 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.743 0.168 17613 6312 1 9 . 1 1 82 82 LEU C C 82 174.479 174.479 174.921 -0.442 17613 6313 1 9 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.876 -0.741 17613 6314 1 9 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.120 1.102 17613 6315 1 9 . 1 1 82 82 LEU H H 82 8.864 8.864 8.869 -0.005 17613 6316 1 9 . 1 1 83 83 GLN N N 83 122.153 122.153 125.893 -3.740 17613 6317 1 9 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.157 0.103 17613 6318 1 9 . 1 1 83 83 GLN C C 83 174.333 174.333 174.340 -0.007 17613 6319 1 9 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.543 0.043 17613 6320 1 9 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.392 -0.522 17613 6321 1 9 . 1 1 83 83 GLN H H 83 8.437 8.437 8.667 -0.230 17613 6322 1 9 . 1 1 84 84 ASP N N 84 124.451 124.451 125.719 -1.268 17613 6323 1 9 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.849 -0.347 17613 6324 1 9 . 1 1 84 84 ASP C C 84 174.308 174.308 175.232 -0.924 17613 6325 1 9 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.772 0.243 17613 6326 1 9 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.068 -0.297 17613 6327 1 9 . 1 1 84 84 ASP H H 84 8.205 8.205 8.380 -0.175 17613 6328 1 9 . 1 1 85 85 GLN N N 85 120.202 120.202 121.577 -1.375 17613 6329 1 9 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.250 0.084 17613 6330 1 9 . 1 1 85 85 GLN C C 85 175.431 175.431 176.472 -1.041 17613 6331 1 9 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.544 0.051 17613 6332 1 9 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.292 0.042 17613 6333 1 9 . 1 1 85 85 GLN H H 85 8.617 8.617 8.598 0.019 17613 6334 1 9 . 1 1 86 86 ASP N N 86 120.508 120.508 122.369 -1.861 17613 6335 1 9 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.747 -0.062 17613 6336 1 9 . 1 1 86 86 ASP C C 86 175.747 175.747 175.931 -0.184 17613 6337 1 9 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.032 -0.520 17613 6338 1 9 . 1 1 86 86 ASP CB C 86 40.957 40.957 39.404 1.553 17613 6339 1 9 . 1 1 86 86 ASP H H 86 8.691 8.691 7.984 0.707 17613 6340 1 9 . 1 1 87 87 GLU N N 87 123.604 123.604 121.059 2.545 17613 6341 1 9 . 1 1 87 87 GLU HA H 87 4.035 4.035 3.907 0.128 17613 6342 1 9 . 1 1 87 87 GLU C C 87 177.771 177.771 177.449 0.322 17613 6343 1 9 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.582 -1.060 17613 6344 1 9 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.720 -0.145 17613 6345 1 9 . 1 1 87 87 GLU H H 87 8.642 8.642 7.770 0.872 17613 6346 1 9 . 1 1 88 88 ASN N N 88 118.838 118.838 117.799 1.039 17613 6347 1 9 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.460 0.101 17613 6348 1 9 . 1 1 88 88 ASN C C 88 177.089 177.089 177.732 -0.643 17613 6349 1 9 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.256 -0.614 17613 6350 1 9 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.453 0.713 17613 6351 1 9 . 1 1 88 88 ASN H H 88 8.527 8.527 8.540 -0.013 17613 6352 1 9 . 1 1 89 89 GLU N N 89 120.947 120.947 120.716 0.231 17613 6353 1 9 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.362 -0.215 17613 6354 1 9 . 1 1 89 89 GLU C C 89 178.357 178.357 179.105 -0.748 17613 6355 1 9 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.148 0.103 17613 6356 1 9 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.435 -0.191 17613 6357 1 9 . 1 1 89 89 GLU H H 89 8.221 8.221 7.721 0.500 17613 6358 1 9 . 1 1 90 90 LEU N N 90 119.582 119.582 120.734 -1.152 17613 6359 1 9 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.184 0.021 17613 6360 1 9 . 1 1 90 90 LEU C C 90 177.917 177.917 178.903 -0.986 17613 6361 1 9 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.761 -0.817 17613 6362 1 9 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.960 0.496 17613 6363 1 9 . 1 1 90 90 LEU H H 90 8.047 8.047 8.479 -0.432 17613 6364 1 9 . 1 1 91 91 GLU N N 91 119.029 119.029 119.611 -0.582 17613 6365 1 9 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.031 0.042 17613 6366 1 9 . 1 1 91 91 GLU C C 91 178.284 178.284 178.755 -0.471 17613 6367 1 9 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.674 -0.545 17613 6368 1 9 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.243 -0.273 17613 6369 1 9 . 1 1 91 91 GLU H H 91 7.940 7.940 8.095 -0.155 17613 6370 1 9 . 1 1 92 92 GLU N N 92 118.667 118.667 120.110 -1.443 17613 6371 1 9 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.032 -0.000 17613 6372 1 9 . 1 1 92 92 GLU C C 92 178.103 178.103 179.168 -1.065 17613 6373 1 9 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.128 0.124 17613 6374 1 9 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.611 -0.679 17613 6375 1 9 . 1 1 92 92 GLU H H 92 8.088 8.088 7.566 0.522 17613 6376 1 9 . 1 1 93 93 PHE N N 93 120.118 120.118 120.065 0.053 17613 6377 1 9 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.161 0.179 17613 6378 1 9 . 1 1 93 93 PHE C C 93 176.894 176.894 177.113 -0.219 17613 6379 1 9 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.950 -0.505 17613 6380 1 9 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.362 -0.375 17613 6381 1 9 . 1 1 93 93 PHE H H 93 8.103 8.103 8.401 -0.298 17613 6382 1 9 . 1 1 94 94 LYS N N 94 118.941 118.941 119.438 -0.497 17613 6383 1 9 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.864 -0.247 17613 6384 1 9 . 1 1 94 94 LYS C C 94 177.600 177.600 178.926 -1.326 17613 6385 1 9 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.780 0.296 17613 6386 1 9 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.410 0.055 17613 6387 1 9 . 1 1 94 94 LYS H H 94 8.606 8.606 8.212 0.394 17613 6388 1 9 . 1 1 95 95 ARG N N 95 117.194 117.194 117.709 -0.515 17613 6389 1 9 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.052 0.098 17613 6390 1 9 . 1 1 95 95 ARG C C 95 179.404 179.404 179.157 0.247 17613 6391 1 9 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.264 -0.161 17613 6392 1 9 . 1 1 95 95 ARG CB C 95 29.819 29.819 30.096 -0.277 17613 6393 1 9 . 1 1 95 95 ARG H H 95 8.159 8.159 7.951 0.208 17613 6394 1 9 . 1 1 96 96 LYS N N 96 119.582 119.582 119.517 0.065 17613 6395 1 9 . 1 1 96 96 LYS HA H 96 4.065 4.065 3.987 0.078 17613 6396 1 9 . 1 1 96 96 LYS C C 96 179.034 179.034 178.912 0.122 17613 6397 1 9 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.300 -0.366 17613 6398 1 9 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.151 -0.082 17613 6399 1 9 . 1 1 96 96 LYS H H 96 7.786 7.786 7.609 0.177 17613 6400 1 9 . 1 1 97 97 ILE N N 97 118.550 118.550 117.949 0.601 17613 6401 1 9 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.243 -0.305 17613 6402 1 9 . 1 1 97 97 ILE C C 97 178.284 178.284 177.958 0.326 17613 6403 1 9 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.653 -1.084 17613 6404 1 9 . 1 1 97 97 ILE CB C 97 37.206 37.206 38.214 -1.008 17613 6405 1 9 . 1 1 97 97 ILE H H 97 7.831 7.831 7.380 0.451 17613 6406 1 9 . 1 1 98 98 GLU N N 98 121.984 121.984 121.652 0.332 17613 6407 1 9 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.356 -0.020 17613 6408 1 9 . 1 1 98 98 GLU C C 98 180.040 180.040 179.212 0.828 17613 6409 1 9 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.976 -0.026 17613 6410 1 9 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.415 0.020 17613 6411 1 9 . 1 1 98 98 GLU H H 98 8.670 8.670 8.383 0.287 17613 6412 1 9 . 1 1 99 99 SER N N 99 115.499 115.499 116.539 -1.040 17613 6413 1 9 . 1 1 99 99 SER HA H 99 4.343 4.343 4.307 0.036 17613 6414 1 9 . 1 1 99 99 SER C C 99 174.820 174.820 175.661 -0.841 17613 6415 1 9 . 1 1 99 99 SER CA C 99 60.410 60.410 60.557 -0.147 17613 6416 1 9 . 1 1 99 99 SER CB C 99 62.680 62.680 62.984 -0.304 17613 6417 1 9 . 1 1 99 99 SER H H 99 8.099 8.099 7.957 0.142 17613 6418 1 9 . 1 1 100 100 GLN N N 100 119.301 119.301 118.756 0.545 17613 6419 1 9 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.175 0.135 17613 6420 1 9 . 1 1 100 100 GLN C C 100 175.857 175.857 175.846 0.011 17613 6421 1 9 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.246 0.680 17613 6422 1 9 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.328 0.884 17613 6423 1 9 . 1 1 100 100 GLN H H 100 7.623 7.623 7.518 0.105 17613 6424 1 9 . 1 1 101 101 GLY N N 101 105.765 105.765 106.378 -0.613 17613 6425 1 9 . 1 1 101 101 GLY C C 101 173.748 173.748 174.640 -0.892 17613 6426 1 9 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.298 -0.095 17613 6427 1 9 . 1 1 101 101 GLY H H 101 7.945 7.945 7.401 0.544 17613 6428 1 9 . 1 1 102 102 TYR N N 102 117.993 117.993 118.236 -0.243 17613 6429 1 9 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.405 0.267 17613 6430 1 9 . 1 1 102 102 TYR C C 102 174.747 174.747 175.489 -0.742 17613 6431 1 9 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.307 -0.053 17613 6432 1 9 . 1 1 102 102 TYR CB C 102 39.048 39.048 39.169 -0.121 17613 6433 1 9 . 1 1 102 102 TYR H H 102 6.890 6.890 7.196 -0.306 17613 6434 1 9 . 1 1 103 103 GLU N N 103 122.864 122.864 124.563 -1.699 17613 6435 1 9 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.387 0.120 17613 6436 1 9 . 1 1 103 103 GLU C C 103 174.162 174.162 174.951 -0.789 17613 6437 1 9 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.007 0.377 17613 6438 1 9 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.178 1.193 17613 6439 1 9 . 1 1 103 103 GLU H H 103 8.318 8.318 8.515 -0.197 17613 6440 1 9 . 1 1 104 104 VAL N N 104 124.342 124.342 126.812 -2.470 17613 6441 1 9 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.548 0.680 17613 6442 1 9 . 1 1 104 104 VAL C C 104 174.235 174.235 175.432 -1.197 17613 6443 1 9 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.267 -1.987 17613 6444 1 9 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.673 1.494 17613 6445 1 9 . 1 1 104 104 VAL H H 104 8.651 8.651 8.159 0.492 17613 6446 1 9 . 1 1 105 105 ARG N N 105 124.856 124.856 129.103 -4.247 17613 6447 1 9 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.754 0.161 17613 6448 1 9 . 1 1 105 105 ARG C C 105 173.917 173.917 175.345 -1.428 17613 6449 1 9 . 1 1 105 105 ARG CA C 105 52.465 52.465 54.270 -1.805 17613 6450 1 9 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.218 -0.263 17613 6451 1 9 . 1 1 105 105 ARG H H 105 8.705 8.705 8.815 -0.110 17613 6452 1 9 . 1 1 106 106 LYS N N 106 121.499 121.499 124.730 -3.231 17613 6453 1 9 . 1 1 106 106 LYS HA H 106 5.578 5.578 4.932 0.646 17613 6454 1 9 . 1 1 106 106 LYS C C 106 174.820 174.820 175.514 -0.694 17613 6455 1 9 . 1 1 106 106 LYS CA C 106 53.868 53.868 56.039 -2.171 17613 6456 1 9 . 1 1 106 106 LYS CB C 106 35.299 35.299 33.980 1.319 17613 6457 1 9 . 1 1 106 106 LYS H H 106 8.807 8.807 8.561 0.246 17613 6458 1 9 . 1 1 107 107 VAL N N 107 118.792 118.792 121.883 -3.091 17613 6459 1 9 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.569 0.046 17613 6460 1 9 . 1 1 107 107 VAL C C 107 173.332 173.332 174.364 -1.032 17613 6461 1 9 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.367 -0.145 17613 6462 1 9 . 1 1 107 107 VAL CB C 107 35.234 35.234 36.343 -1.109 17613 6463 1 9 . 1 1 107 107 VAL H H 107 8.555 8.555 8.521 0.034 17613 6464 1 9 . 1 1 108 108 THR N N 108 114.072 114.072 117.015 -2.943 17613 6465 1 9 . 1 1 108 108 THR HA H 108 4.781 4.781 4.589 0.192 17613 6466 1 9 . 1 1 108 108 THR C C 108 174.625 174.625 174.492 0.133 17613 6467 1 9 . 1 1 108 108 THR CA C 108 62.221 62.221 62.059 0.162 17613 6468 1 9 . 1 1 108 108 THR CB C 108 69.975 69.975 69.822 0.153 17613 6469 1 9 . 1 1 108 108 THR H H 108 8.604 8.604 8.466 0.138 17613 6470 1 9 . 1 1 109 109 ASP N N 109 122.574 122.574 123.299 -0.725 17613 6471 1 9 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.790 -0.052 17613 6472 1 9 . 1 1 109 109 ASP C C 109 175.796 175.796 176.707 -0.911 17613 6473 1 9 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.236 -0.387 17613 6474 1 9 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.743 0.945 17613 6475 1 9 . 1 1 109 109 ASP H H 109 8.036 8.036 7.897 0.139 17613 6476 1 9 . 1 1 110 110 ASP N N 110 122.852 122.852 123.109 -0.257 17613 6477 1 9 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.375 -0.280 17613 6478 1 9 . 1 1 110 110 ASP C C 110 177.527 177.527 178.078 -0.551 17613 6479 1 9 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.794 -0.406 17613 6480 1 9 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.864 -0.563 17613 6481 1 9 . 1 1 110 110 ASP H H 110 8.696 8.696 8.786 -0.090 17613 6482 1 9 . 1 1 111 111 GLU N N 111 119.144 119.144 118.999 0.145 17613 6483 1 9 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.090 -0.102 17613 6484 1 9 . 1 1 111 111 GLU C C 111 179.942 179.942 178.831 1.111 17613 6485 1 9 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.024 0.333 17613 6486 1 9 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.463 -0.967 17613 6487 1 9 . 1 1 111 111 GLU H H 111 8.213 8.213 8.485 -0.272 17613 6488 1 9 . 1 1 112 112 GLU N N 112 121.400 121.400 119.817 1.583 17613 6489 1 9 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.087 -0.090 17613 6490 1 9 . 1 1 112 112 GLU C C 112 178.430 178.430 178.114 0.316 17613 6491 1 9 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.850 -0.101 17613 6492 1 9 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.029 0.165 17613 6493 1 9 . 1 1 112 112 GLU H H 112 8.234 8.234 8.372 -0.138 17613 6494 1 9 . 1 1 113 113 ALA N N 113 120.316 120.316 121.995 -1.679 17613 6495 1 9 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.055 -0.255 17613 6496 1 9 . 1 1 113 113 ALA C C 113 178.430 178.430 179.879 -1.449 17613 6497 1 9 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.036 0.346 17613 6498 1 9 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.138 0.464 17613 6499 1 9 . 1 1 113 113 ALA H H 113 8.118 8.118 7.698 0.420 17613 6500 1 9 . 1 1 114 114 LEU N N 114 116.901 116.901 116.549 0.352 17613 6501 1 9 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.855 -0.142 17613 6502 1 9 . 1 1 114 114 LEU C C 114 178.431 178.431 179.224 -0.793 17613 6503 1 9 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.576 0.099 17613 6504 1 9 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.522 -0.586 17613 6505 1 9 . 1 1 114 114 LEU H H 114 7.743 7.743 7.676 0.067 17613 6506 1 9 . 1 1 115 115 LYS N N 115 119.066 119.066 117.657 1.409 17613 6507 1 9 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.022 -0.222 17613 6508 1 9 . 1 1 115 115 LYS C C 115 179.404 179.404 179.131 0.273 17613 6509 1 9 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.003 0.880 17613 6510 1 9 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.344 -0.166 17613 6511 1 9 . 1 1 115 115 LYS H H 115 7.617 7.617 7.452 0.165 17613 6512 1 9 . 1 1 116 116 ILE N N 116 120.613 120.613 120.213 0.400 17613 6513 1 9 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.913 -0.453 17613 6514 1 9 . 1 1 116 116 ILE C C 116 177.016 177.016 177.813 -0.797 17613 6515 1 9 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.053 2.069 17613 6516 1 9 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.559 -0.236 17613 6517 1 9 . 1 1 116 116 ILE H H 116 8.004 8.004 7.788 0.216 17613 6518 1 9 . 1 1 117 117 VAL N N 117 120.234 120.234 120.157 0.077 17613 6519 1 9 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.756 -0.496 17613 6520 1 9 . 1 1 117 117 VAL C C 117 177.746 177.746 177.635 0.111 17613 6521 1 9 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.307 0.198 17613 6522 1 9 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.874 -0.121 17613 6523 1 9 . 1 1 117 117 VAL H H 117 8.121 8.121 7.929 0.192 17613 6524 1 9 . 1 1 118 118 ARG N N 118 118.415 118.415 118.591 -0.176 17613 6525 1 9 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.867 0.026 17613 6526 1 9 . 1 1 118 118 ARG C C 118 178.966 178.966 178.423 0.543 17613 6527 1 9 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.858 0.310 17613 6528 1 9 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.680 0.022 17613 6529 1 9 . 1 1 118 118 ARG H H 118 8.026 8.026 7.630 0.396 17613 6530 1 9 . 1 1 119 119 GLU N N 119 122.419 122.419 119.809 2.610 17613 6531 1 9 . 1 1 119 119 GLU HA H 119 4.027 4.027 3.883 0.144 17613 6532 1 9 . 1 1 119 119 GLU C C 119 179.429 179.429 178.682 0.747 17613 6533 1 9 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.261 0.269 17613 6534 1 9 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.061 -0.100 17613 6535 1 9 . 1 1 119 119 GLU H H 119 7.918 7.918 7.411 0.507 17613 6536 1 9 . 1 1 120 120 PHE N N 120 119.597 119.597 118.502 1.095 17613 6537 1 9 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.783 0.239 17613 6538 1 9 . 1 1 120 120 PHE C C 120 177.698 177.698 177.907 -0.209 17613 6539 1 9 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.701 -3.833 17613 6540 1 9 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.207 -1.454 17613 6541 1 9 . 1 1 120 120 PHE H H 120 8.826 8.826 7.188 1.638 17613 6542 1 9 . 1 1 121 121 MET N N 121 116.596 116.596 117.013 -0.417 17613 6543 1 9 . 1 1 121 121 MET HA H 121 3.931 3.931 3.646 0.285 17613 6544 1 9 . 1 1 121 121 MET C C 121 179.577 179.577 178.395 1.182 17613 6545 1 9 . 1 1 121 121 MET CA C 121 59.785 59.785 59.136 0.649 17613 6546 1 9 . 1 1 121 121 MET CB C 121 33.643 33.643 31.839 1.804 17613 6547 1 9 . 1 1 121 121 MET H H 121 8.317 8.317 7.952 0.365 17613 6548 1 9 . 1 1 122 122 GLN N N 122 120.565 120.565 119.824 0.741 17613 6549 1 9 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.949 0.186 17613 6550 1 9 . 1 1 122 122 GLN C C 122 178.893 178.893 178.221 0.672 17613 6551 1 9 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.073 -0.328 17613 6552 1 9 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.584 -0.564 17613 6553 1 9 . 1 1 122 122 GLN H H 122 8.054 8.054 7.804 0.250 17613 6554 1 9 . 1 1 123 123 LYS N N 123 121.605 121.605 119.718 1.887 17613 6555 1 9 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.021 0.004 17613 6556 1 9 . 1 1 123 123 LYS C C 123 179.307 179.307 178.808 0.499 17613 6557 1 9 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.146 0.097 17613 6558 1 9 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.245 0.062 17613 6559 1 9 . 1 1 123 123 LYS H H 123 8.400 8.400 8.092 0.308 17613 6560 1 9 . 1 1 124 124 ALA N N 124 121.873 121.873 120.951 0.922 17613 6561 1 9 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.066 0.078 17613 6562 1 9 . 1 1 124 124 ALA C C 124 179.112 179.112 179.273 -0.161 17613 6563 1 9 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.725 -0.073 17613 6564 1 9 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.168 0.766 17613 6565 1 9 . 1 1 124 124 ALA H H 124 8.601 8.601 7.705 0.896 17613 6566 1 9 . 1 1 125 125 GLY N N 125 104.755 104.755 105.509 -0.754 17613 6567 1 9 . 1 1 125 125 GLY C C 125 175.553 175.553 175.689 -0.136 17613 6568 1 9 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.673 -0.382 17613 6569 1 9 . 1 1 125 125 GLY H H 125 7.949 7.949 7.972 -0.023 17613 6570 1 9 . 1 1 126 126 SER N N 126 116.080 116.080 117.946 -1.866 17613 6571 1 9 . 1 1 126 126 SER HA H 126 4.447 4.447 4.172 0.275 17613 6572 1 9 . 1 1 126 126 SER C C 126 175.504 175.504 176.193 -0.689 17613 6573 1 9 . 1 1 126 126 SER CA C 126 59.965 59.965 61.949 -1.984 17613 6574 1 9 . 1 1 126 126 SER CB C 126 63.460 63.460 63.016 0.444 17613 6575 1 9 . 1 1 126 126 SER H H 126 7.861 7.861 7.370 0.491 17613 6576 1 9 . 1 1 127 127 LEU N N 127 122.372 122.372 121.168 1.204 17613 6577 1 9 . 1 1 127 127 LEU HA H 127 4.282 4.282 3.862 0.420 17613 6578 1 9 . 1 1 127 127 LEU C C 127 177.990 177.990 177.946 0.044 17613 6579 1 9 . 1 1 127 127 LEU CA C 127 56.217 56.217 57.311 -1.094 17613 6580 1 9 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.900 0.173 17613 6581 1 9 . 1 1 127 127 LEU H H 127 7.882 7.882 7.473 0.409 17613 6582 1 9 . 1 1 128 128 GLU N N 128 119.775 119.775 113.661 6.114 17613 6583 1 9 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.368 -0.460 17613 6584 1 9 . 1 1 128 128 GLU CA C 128 57.611 57.611 55.973 1.638 17613 6585 1 9 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.570 0.260 17613 6586 1 9 . 1 1 128 128 GLU H H 128 8.084 8.084 7.555 0.529 17613 6587 1 9 . 1 1 131 131 HIS N N 131 125.272 125.272 126.341 -1.069 17613 6588 1 9 . 1 1 131 131 HIS H H 131 8.059 8.059 8.897 -0.838 17613 6589 1 10 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.355 0.471 17613 6590 1 10 . 1 1 3 3 ILE C C 3 173.405 173.405 174.736 -1.331 17613 6591 1 10 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.259 -0.703 17613 6592 1 10 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.696 0.812 17613 6593 1 10 . 1 1 3 3 ILE H H 3 8.444 8.444 8.409 0.035 17613 6594 1 10 . 1 1 4 4 LEU N N 4 127.785 127.785 127.050 0.735 17613 6595 1 10 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.252 0.207 17613 6596 1 10 . 1 1 4 4 LEU C C 4 174.832 174.832 176.422 -1.590 17613 6597 1 10 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.200 0.141 17613 6598 1 10 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.457 1.856 17613 6599 1 10 . 1 1 4 4 LEU H H 4 9.081 9.081 8.757 0.324 17613 6600 1 10 . 1 1 5 5 ILE N N 5 123.010 123.010 124.691 -1.681 17613 6601 1 10 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.593 0.240 17613 6602 1 10 . 1 1 5 5 ILE C C 5 173.357 173.357 174.961 -1.604 17613 6603 1 10 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.106 1.438 17613 6604 1 10 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.498 3.034 17613 6605 1 10 . 1 1 5 5 ILE H H 5 8.765 8.765 8.369 0.396 17613 6606 1 10 . 1 1 6 6 LEU N N 6 129.320 129.320 130.249 -0.929 17613 6607 1 10 . 1 1 6 6 LEU HA H 6 5.346 5.346 4.907 0.439 17613 6608 1 10 . 1 1 6 6 LEU C C 6 174.795 174.795 174.969 -0.174 17613 6609 1 10 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.559 -0.559 17613 6610 1 10 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.239 1.289 17613 6611 1 10 . 1 1 6 6 LEU H H 6 9.235 9.235 8.298 0.937 17613 6612 1 10 . 1 1 7 7 ILE N N 7 120.746 120.746 126.061 -5.315 17613 6613 1 10 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.735 0.446 17613 6614 1 10 . 1 1 7 7 ILE C C 7 173.819 173.819 173.779 0.040 17613 6615 1 10 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.428 -2.213 17613 6616 1 10 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.392 -1.238 17613 6617 1 10 . 1 1 7 7 ILE H H 7 8.931 8.931 9.131 -0.200 17613 6618 1 10 . 1 1 8 8 ASN N N 8 125.539 125.539 126.030 -0.491 17613 6619 1 10 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.392 0.510 17613 6620 1 10 . 1 1 8 8 ASN C C 8 176.478 176.478 173.871 2.607 17613 6621 1 10 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.752 -0.648 17613 6622 1 10 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.745 0.837 17613 6623 1 10 . 1 1 8 8 ASN H H 8 8.634 8.634 8.770 -0.136 17613 6624 1 10 . 1 1 9 9 THR N N 9 118.493 118.493 119.732 -1.239 17613 6625 1 10 . 1 1 9 9 THR HA H 9 4.739 4.739 4.638 0.101 17613 6626 1 10 . 1 1 9 9 THR C C 9 170.114 170.114 174.427 -4.313 17613 6627 1 10 . 1 1 9 9 THR CA C 9 60.689 60.689 59.566 1.123 17613 6628 1 10 . 1 1 9 9 THR CB C 9 67.766 67.766 71.293 -3.527 17613 6629 1 10 . 1 1 9 9 THR H H 9 8.044 8.044 8.648 -0.604 17613 6630 1 10 . 1 1 10 10 ASN N N 10 123.266 123.266 124.236 -0.970 17613 6631 1 10 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.601 0.366 17613 6632 1 10 . 1 1 10 10 ASN C C 10 174.601 174.601 174.860 -0.259 17613 6633 1 10 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.575 -2.731 17613 6634 1 10 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.140 0.176 17613 6635 1 10 . 1 1 10 10 ASN H H 10 8.440 8.440 8.447 -0.007 17613 6636 1 10 . 1 1 11 11 ASN N N 11 120.920 120.920 119.097 1.823 17613 6637 1 10 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.897 -0.204 17613 6638 1 10 . 1 1 11 11 ASN C C 11 174.333 174.333 175.217 -0.884 17613 6639 1 10 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.927 -0.491 17613 6640 1 10 . 1 1 11 11 ASN CB C 11 38.349 38.349 40.173 -1.824 17613 6641 1 10 . 1 1 11 11 ASN H H 11 8.366 8.366 7.642 0.724 17613 6642 1 10 . 1 1 12 12 ASP N N 12 126.315 126.315 123.980 2.335 17613 6643 1 10 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.394 -0.121 17613 6644 1 10 . 1 1 12 12 ASP C C 12 178.089 178.089 177.606 0.483 17613 6645 1 10 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.869 -0.261 17613 6646 1 10 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.847 0.314 17613 6647 1 10 . 1 1 12 12 ASP H H 12 8.586 8.586 8.876 -0.290 17613 6648 1 10 . 1 1 13 13 GLU N N 13 119.325 119.325 120.045 -0.720 17613 6649 1 10 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.136 -0.110 17613 6650 1 10 . 1 1 13 13 GLU C C 13 178.893 178.893 178.545 0.348 17613 6651 1 10 . 1 1 13 13 GLU CA C 13 59.006 59.006 58.787 0.219 17613 6652 1 10 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.396 -0.687 17613 6653 1 10 . 1 1 13 13 GLU H H 13 8.289 8.289 8.611 -0.322 17613 6654 1 10 . 1 1 14 14 LEU N N 14 121.683 121.683 118.664 3.019 17613 6655 1 10 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.144 -0.159 17613 6656 1 10 . 1 1 14 14 LEU C C 14 178.309 178.309 178.889 -0.580 17613 6657 1 10 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.740 0.521 17613 6658 1 10 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.632 -0.527 17613 6659 1 10 . 1 1 14 14 LEU H H 14 7.577 7.577 8.188 -0.611 17613 6660 1 10 . 1 1 15 15 ILE N N 15 119.483 119.483 119.602 -0.119 17613 6661 1 10 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.575 -0.356 17613 6662 1 10 . 1 1 15 15 ILE C C 15 177.138 177.138 177.509 -0.371 17613 6663 1 10 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.837 0.753 17613 6664 1 10 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.296 0.128 17613 6665 1 10 . 1 1 15 15 ILE H H 15 8.238 8.238 7.399 0.839 17613 6666 1 10 . 1 1 16 16 LYS N N 16 117.596 117.596 118.832 -1.236 17613 6667 1 10 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.057 -0.214 17613 6668 1 10 . 1 1 16 16 LYS C C 16 179.577 179.577 178.876 0.701 17613 6669 1 10 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.018 1.151 17613 6670 1 10 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.930 0.235 17613 6671 1 10 . 1 1 16 16 LYS H H 16 7.604 7.604 7.869 -0.265 17613 6672 1 10 . 1 1 17 17 LYS N N 17 118.832 118.832 119.687 -0.855 17613 6673 1 10 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.105 -0.113 17613 6674 1 10 . 1 1 17 17 LYS C C 17 179.380 179.380 178.881 0.499 17613 6675 1 10 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.404 0.436 17613 6676 1 10 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.503 0.562 17613 6677 1 10 . 1 1 17 17 LYS H H 17 7.583 7.583 7.786 -0.203 17613 6678 1 10 . 1 1 18 18 ILE N N 18 120.961 120.961 120.471 0.490 17613 6679 1 10 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.624 -0.252 17613 6680 1 10 . 1 1 18 18 ILE C C 18 176.967 176.967 177.650 -0.683 17613 6681 1 10 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.091 0.383 17613 6682 1 10 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.707 -0.151 17613 6683 1 10 . 1 1 18 18 ILE H H 18 8.785 8.785 7.810 0.975 17613 6684 1 10 . 1 1 19 19 LYS N N 19 118.324 118.324 119.675 -1.351 17613 6685 1 10 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.882 -0.202 17613 6686 1 10 . 1 1 19 19 LYS C C 19 177.746 177.746 179.118 -1.372 17613 6687 1 10 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.930 0.923 17613 6688 1 10 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.098 0.228 17613 6689 1 10 . 1 1 19 19 LYS H H 19 8.532 8.532 7.771 0.761 17613 6690 1 10 . 1 1 20 20 LYS N N 20 116.284 116.284 119.004 -2.720 17613 6691 1 10 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.077 0.010 17613 6692 1 10 . 1 1 20 20 LYS C C 20 178.406 178.406 179.261 -0.855 17613 6693 1 10 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.856 -0.317 17613 6694 1 10 . 1 1 20 20 LYS CB C 20 31.981 31.981 32.003 -0.022 17613 6695 1 10 . 1 1 20 20 LYS H H 20 7.303 7.303 7.530 -0.227 17613 6696 1 10 . 1 1 21 21 GLU N N 21 118.488 118.488 118.467 0.021 17613 6697 1 10 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.049 -0.086 17613 6698 1 10 . 1 1 21 21 GLU C C 21 179.088 179.088 179.108 -0.020 17613 6699 1 10 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.103 -0.209 17613 6700 1 10 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.411 0.023 17613 6701 1 10 . 1 1 21 21 GLU H H 21 7.665 7.665 7.817 -0.152 17613 6702 1 10 . 1 1 22 22 VAL N N 22 109.032 109.032 113.614 -4.582 17613 6703 1 10 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.190 -0.058 17613 6704 1 10 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.054 -1.255 17613 6705 1 10 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.165 -2.336 17613 6706 1 10 . 1 1 22 22 VAL H H 22 8.037 8.037 7.869 0.168 17613 6707 1 10 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.700 0.017 17613 6708 1 10 . 1 1 24 24 ASN CA C 24 58.808 58.808 54.822 3.986 17613 6709 1 10 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.744 -0.573 17613 6710 1 10 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.540 0.106 17613 6711 1 10 . 1 1 25 25 GLN C C 25 175.692 175.692 176.431 -0.739 17613 6712 1 10 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.876 0.142 17613 6713 1 10 . 1 1 26 26 GLY N N 26 106.368 106.368 108.362 -1.994 17613 6714 1 10 . 1 1 26 26 GLY C C 26 174.382 174.382 174.101 0.281 17613 6715 1 10 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.470 0.487 17613 6716 1 10 . 1 1 26 26 GLY H H 26 8.020 8.020 7.824 0.196 17613 6717 1 10 . 1 1 27 27 TYR N N 27 119.082 119.082 119.827 -0.745 17613 6718 1 10 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.822 -0.389 17613 6719 1 10 . 1 1 27 27 TYR C C 27 174.528 174.528 175.160 -0.632 17613 6720 1 10 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.135 0.919 17613 6721 1 10 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.003 0.002 17613 6722 1 10 . 1 1 27 27 TYR H H 27 7.845 7.845 8.054 -0.209 17613 6723 1 10 . 1 1 28 28 GLN N N 28 120.362 120.362 124.673 -4.311 17613 6724 1 10 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.538 -0.039 17613 6725 1 10 . 1 1 28 28 GLN C C 28 174.625 174.625 174.670 -0.045 17613 6726 1 10 . 1 1 28 28 GLN CA C 28 54.380 54.380 54.586 -0.206 17613 6727 1 10 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.908 1.547 17613 6728 1 10 . 1 1 28 28 GLN H H 28 8.338 8.338 8.609 -0.271 17613 6729 1 10 . 1 1 29 29 VAL N N 29 123.482 123.482 124.933 -1.451 17613 6730 1 10 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.661 0.382 17613 6731 1 10 . 1 1 29 29 VAL C C 29 175.820 175.820 176.503 -0.683 17613 6732 1 10 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.110 -0.622 17613 6733 1 10 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.072 0.401 17613 6734 1 10 . 1 1 29 29 VAL H H 29 8.776 8.776 8.515 0.261 17613 6735 1 10 . 1 1 30 30 ARG N N 30 127.787 127.787 126.285 1.502 17613 6736 1 10 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.626 0.114 17613 6737 1 10 . 1 1 30 30 ARG C C 30 173.332 173.332 174.689 -1.357 17613 6738 1 10 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.200 0.588 17613 6739 1 10 . 1 1 30 30 ARG CB C 30 32.391 32.391 32.172 0.219 17613 6740 1 10 . 1 1 30 30 ARG H H 30 9.135 9.135 8.974 0.161 17613 6741 1 10 . 1 1 31 31 ASP N N 31 121.895 121.895 125.182 -3.287 17613 6742 1 10 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.031 0.179 17613 6743 1 10 . 1 1 31 31 ASP C C 31 175.282 175.282 175.819 -0.537 17613 6744 1 10 . 1 1 31 31 ASP CA C 31 53.370 53.370 54.532 -1.162 17613 6745 1 10 . 1 1 31 31 ASP CB C 31 42.722 42.722 41.653 1.069 17613 6746 1 10 . 1 1 31 31 ASP H H 31 8.377 8.377 8.574 -0.197 17613 6747 1 10 . 1 1 32 32 VAL N N 32 120.426 120.426 124.440 -4.014 17613 6748 1 10 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.344 -0.096 17613 6749 1 10 . 1 1 32 32 VAL C C 32 174.114 174.114 174.341 -0.227 17613 6750 1 10 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.481 0.076 17613 6751 1 10 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.681 0.203 17613 6752 1 10 . 1 1 32 32 VAL H H 32 8.441 8.441 8.635 -0.194 17613 6753 1 10 . 1 1 33 33 ASN N N 33 122.700 122.700 123.350 -0.650 17613 6754 1 10 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.918 0.059 17613 6755 1 10 . 1 1 33 33 ASN C C 33 174.235 174.235 173.679 0.556 17613 6756 1 10 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.207 0.189 17613 6757 1 10 . 1 1 33 33 ASN CB C 33 40.869 40.869 41.003 -0.134 17613 6758 1 10 . 1 1 33 33 ASN H H 33 9.550 9.550 8.922 0.628 17613 6759 1 10 . 1 1 34 34 ASP N N 34 114.885 114.885 119.422 -4.537 17613 6760 1 10 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.890 -0.187 17613 6761 1 10 . 1 1 34 34 ASP C C 34 175.626 175.626 176.559 -0.933 17613 6762 1 10 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.461 1.022 17613 6763 1 10 . 1 1 34 34 ASP CB C 34 42.396 42.396 42.709 -0.313 17613 6764 1 10 . 1 1 34 34 ASP H H 34 7.616 7.616 7.974 -0.358 17613 6765 1 10 . 1 1 35 35 SER N N 35 114.381 114.381 119.477 -5.096 17613 6766 1 10 . 1 1 35 35 SER HA H 35 4.046 4.046 4.128 -0.082 17613 6767 1 10 . 1 1 35 35 SER C C 35 175.991 175.991 176.250 -0.259 17613 6768 1 10 . 1 1 35 35 SER CA C 35 61.446 61.446 61.314 0.132 17613 6769 1 10 . 1 1 35 35 SER CB C 35 62.764 62.764 63.024 -0.260 17613 6770 1 10 . 1 1 35 35 SER H H 35 8.869 8.869 8.751 0.118 17613 6771 1 10 . 1 1 36 36 ASP N N 36 124.695 124.695 121.689 3.006 17613 6772 1 10 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.437 0.082 17613 6773 1 10 . 1 1 36 36 ASP C C 36 179.136 179.136 178.359 0.777 17613 6774 1 10 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.623 0.045 17613 6775 1 10 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.681 -0.397 17613 6776 1 10 . 1 1 36 36 ASP H H 36 8.388 8.388 8.394 -0.006 17613 6777 1 10 . 1 1 37 37 GLU N N 37 122.449 122.449 119.592 2.857 17613 6778 1 10 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.077 -0.018 17613 6779 1 10 . 1 1 37 37 GLU C C 37 178.698 178.698 178.907 -0.209 17613 6780 1 10 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.970 0.239 17613 6781 1 10 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.118 0.603 17613 6782 1 10 . 1 1 37 37 GLU H H 37 9.009 9.009 8.044 0.965 17613 6783 1 10 . 1 1 38 38 LEU N N 38 119.580 119.580 121.953 -2.373 17613 6784 1 10 . 1 1 38 38 LEU HA H 38 3.911 3.911 4.036 -0.125 17613 6785 1 10 . 1 1 38 38 LEU C C 38 177.649 177.649 178.378 -0.729 17613 6786 1 10 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.504 0.629 17613 6787 1 10 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.048 -0.979 17613 6788 1 10 . 1 1 38 38 LEU H H 38 8.203 8.203 7.944 0.259 17613 6789 1 10 . 1 1 39 39 LYS N N 39 118.404 118.404 117.513 0.891 17613 6790 1 10 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.962 -0.121 17613 6791 1 10 . 1 1 39 39 LYS C C 39 179.577 179.577 178.836 0.741 17613 6792 1 10 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.416 0.450 17613 6793 1 10 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.146 -0.098 17613 6794 1 10 . 1 1 39 39 LYS H H 39 7.829 7.829 7.853 -0.024 17613 6795 1 10 . 1 1 40 40 LYS N N 40 119.271 119.271 118.615 0.656 17613 6796 1 10 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.211 -0.189 17613 6797 1 10 . 1 1 40 40 LYS C C 40 179.577 179.577 179.448 0.129 17613 6798 1 10 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.450 1.140 17613 6799 1 10 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.430 -0.030 17613 6800 1 10 . 1 1 40 40 LYS H H 40 7.779 7.779 7.740 0.039 17613 6801 1 10 . 1 1 41 41 GLU N N 41 119.647 119.647 119.459 0.188 17613 6802 1 10 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.139 0.124 17613 6803 1 10 . 1 1 41 41 GLU C C 41 179.504 179.504 178.991 0.513 17613 6804 1 10 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.592 -0.518 17613 6805 1 10 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.213 -0.967 17613 6806 1 10 . 1 1 41 41 GLU H H 41 8.721 8.721 8.063 0.658 17613 6807 1 10 . 1 1 42 42 MET N N 42 118.114 118.114 117.588 0.526 17613 6808 1 10 . 1 1 42 42 MET HA H 42 4.383 4.383 4.331 0.052 17613 6809 1 10 . 1 1 42 42 MET C C 42 179.185 179.185 178.361 0.824 17613 6810 1 10 . 1 1 42 42 MET CA C 42 57.054 57.054 57.088 -0.034 17613 6811 1 10 . 1 1 42 42 MET CB C 42 31.254 31.254 31.599 -0.345 17613 6812 1 10 . 1 1 42 42 MET H H 42 8.779 8.779 8.170 0.609 17613 6813 1 10 . 1 1 43 43 LYS N N 43 120.740 120.740 119.937 0.803 17613 6814 1 10 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.130 -0.042 17613 6815 1 10 . 1 1 43 43 LYS C C 43 178.187 178.187 179.053 -0.866 17613 6816 1 10 . 1 1 43 43 LYS CA C 43 59.390 59.390 58.628 0.762 17613 6817 1 10 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.689 0.273 17613 6818 1 10 . 1 1 43 43 LYS H H 43 7.499 7.499 7.689 -0.190 17613 6819 1 10 . 1 1 44 44 LYS N N 44 118.269 118.269 119.519 -1.250 17613 6820 1 10 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.357 -0.296 17613 6821 1 10 . 1 1 44 44 LYS C C 44 179.601 179.601 178.670 0.931 17613 6822 1 10 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.073 1.427 17613 6823 1 10 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.811 0.259 17613 6824 1 10 . 1 1 44 44 LYS H H 44 7.445 7.445 7.488 -0.043 17613 6825 1 10 . 1 1 45 45 LEU N N 45 117.785 117.785 117.802 -0.017 17613 6826 1 10 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.279 -0.131 17613 6827 1 10 . 1 1 45 45 LEU C C 45 178.357 178.357 179.647 -1.290 17613 6828 1 10 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.557 -0.370 17613 6829 1 10 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.963 -0.190 17613 6830 1 10 . 1 1 45 45 LEU H H 45 8.161 8.161 7.774 0.387 17613 6831 1 10 . 1 1 46 46 ALA N N 46 118.538 118.538 121.323 -2.785 17613 6832 1 10 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.188 0.064 17613 6833 1 10 . 1 1 46 46 ALA C C 46 178.893 178.893 179.064 -0.171 17613 6834 1 10 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.315 -0.643 17613 6835 1 10 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.557 0.325 17613 6836 1 10 . 1 1 46 46 ALA H H 46 7.637 7.637 7.734 -0.097 17613 6837 1 10 . 1 1 47 47 GLU N N 47 115.492 115.492 116.697 -1.205 17613 6838 1 10 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.236 0.014 17613 6839 1 10 . 1 1 47 47 GLU C C 47 176.478 176.478 177.661 -1.183 17613 6840 1 10 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.859 -0.928 17613 6841 1 10 . 1 1 47 47 GLU CB C 47 30.417 30.417 29.916 0.501 17613 6842 1 10 . 1 1 47 47 GLU H H 47 7.713 7.713 7.890 -0.177 17613 6843 1 10 . 1 1 48 48 GLU N N 48 120.573 120.573 116.798 3.775 17613 6844 1 10 . 1 1 48 48 GLU HA H 48 4.373 4.373 3.991 0.382 17613 6845 1 10 . 1 1 48 48 GLU C C 48 173.624 173.624 175.674 -2.050 17613 6846 1 10 . 1 1 48 48 GLU CA C 48 56.021 56.021 58.644 -2.623 17613 6847 1 10 . 1 1 48 48 GLU CB C 48 29.910 29.910 28.521 1.389 17613 6848 1 10 . 1 1 48 48 GLU H H 48 7.748 7.748 8.120 -0.372 17613 6849 1 10 . 1 1 49 49 LYS N N 49 124.420 124.420 121.388 3.032 17613 6850 1 10 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.167 0.151 17613 6851 1 10 . 1 1 49 49 LYS C C 49 176.843 176.843 175.654 1.189 17613 6852 1 10 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.577 -0.060 17613 6853 1 10 . 1 1 49 49 LYS CB C 49 32.462 32.462 30.869 1.593 17613 6854 1 10 . 1 1 49 49 LYS H H 49 8.607 8.607 7.866 0.741 17613 6855 1 10 . 1 1 50 50 ASN N N 50 117.993 117.993 117.819 0.174 17613 6856 1 10 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.705 -0.081 17613 6857 1 10 . 1 1 50 50 ASN C C 50 176.454 176.454 174.523 1.931 17613 6858 1 10 . 1 1 50 50 ASN CA C 50 53.555 53.555 52.783 0.772 17613 6859 1 10 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.021 1.015 17613 6860 1 10 . 1 1 50 50 ASN H H 50 8.723 8.723 8.394 0.329 17613 6861 1 10 . 1 1 51 51 PHE N N 51 120.700 120.700 121.816 -1.116 17613 6862 1 10 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.180 0.578 17613 6863 1 10 . 1 1 51 51 PHE CA C 51 57.935 57.935 60.739 -2.804 17613 6864 1 10 . 1 1 51 51 PHE CB C 51 38.975 38.975 39.440 -0.465 17613 6865 1 10 . 1 1 51 51 PHE H H 51 8.341 8.341 8.575 -0.234 17613 6866 1 10 . 1 1 52 52 GLU HA H 52 4.258 4.258 3.916 0.342 17613 6867 1 10 . 1 1 52 52 GLU C C 52 173.600 173.600 176.022 -2.422 17613 6868 1 10 . 1 1 52 52 GLU CA C 52 56.254 56.254 57.110 -0.856 17613 6869 1 10 . 1 1 52 52 GLU CB C 52 33.459 33.459 29.619 3.840 17613 6870 1 10 . 1 1 53 53 LYS N N 53 119.964 119.964 122.692 -2.728 17613 6871 1 10 . 1 1 53 53 LYS HA H 53 4.689 4.689 3.975 0.714 17613 6872 1 10 . 1 1 53 53 LYS C C 53 174.430 174.430 175.364 -0.934 17613 6873 1 10 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.209 0.147 17613 6874 1 10 . 1 1 53 53 LYS CB C 53 31.445 31.445 30.979 0.466 17613 6875 1 10 . 1 1 53 53 LYS H H 53 7.962 7.962 8.394 -0.432 17613 6876 1 10 . 1 1 54 54 ILE N N 54 124.730 124.730 125.181 -0.451 17613 6877 1 10 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.646 0.200 17613 6878 1 10 . 1 1 54 54 ILE C C 54 173.089 173.089 174.819 -1.730 17613 6879 1 10 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.761 0.503 17613 6880 1 10 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.398 3.555 17613 6881 1 10 . 1 1 54 54 ILE H H 54 8.804 8.804 7.805 0.999 17613 6882 1 10 . 1 1 55 55 LEU N N 55 130.086 130.086 128.914 1.172 17613 6883 1 10 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.181 0.460 17613 6884 1 10 . 1 1 55 55 LEU C C 55 174.430 174.430 174.989 -0.559 17613 6885 1 10 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.313 0.189 17613 6886 1 10 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.451 -0.249 17613 6887 1 10 . 1 1 55 55 LEU H H 55 9.103 9.103 8.500 0.603 17613 6888 1 10 . 1 1 56 56 ILE N N 56 125.983 125.983 126.394 -0.411 17613 6889 1 10 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.767 0.290 17613 6890 1 10 . 1 1 56 56 ILE C C 56 174.089 174.089 175.186 -1.097 17613 6891 1 10 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.780 0.330 17613 6892 1 10 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.309 1.514 17613 6893 1 10 . 1 1 56 56 ILE H H 56 9.182 9.182 8.576 0.606 17613 6894 1 10 . 1 1 57 57 ILE N N 57 127.241 127.241 129.382 -2.141 17613 6895 1 10 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.745 0.167 17613 6896 1 10 . 1 1 57 57 ILE C C 57 174.869 174.869 175.078 -0.209 17613 6897 1 10 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.877 -1.622 17613 6898 1 10 . 1 1 57 57 ILE CB C 57 38.951 38.951 38.500 0.451 17613 6899 1 10 . 1 1 57 57 ILE H H 57 8.541 8.541 8.428 0.113 17613 6900 1 10 . 1 1 58 58 SER N N 58 119.270 119.270 122.881 -3.611 17613 6901 1 10 . 1 1 58 58 SER HA H 58 5.007 5.007 5.430 -0.423 17613 6902 1 10 . 1 1 58 58 SER C C 58 174.211 174.211 174.059 0.152 17613 6903 1 10 . 1 1 58 58 SER CA C 58 56.727 56.727 55.852 0.875 17613 6904 1 10 . 1 1 58 58 SER CB C 58 66.615 66.615 65.040 1.575 17613 6905 1 10 . 1 1 58 58 SER H H 58 8.810 8.810 8.460 0.350 17613 6906 1 10 . 1 1 59 59 ASN N N 59 122.382 122.382 125.736 -3.354 17613 6907 1 10 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.795 -0.084 17613 6908 1 10 . 1 1 59 59 ASN C C 59 174.795 174.795 174.345 0.450 17613 6909 1 10 . 1 1 59 59 ASN CA C 59 52.507 52.507 54.035 -1.528 17613 6910 1 10 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.284 -0.322 17613 6911 1 10 . 1 1 59 59 ASN H H 59 8.794 8.794 8.674 0.120 17613 6912 1 10 . 1 1 60 60 ASP N N 60 119.744 119.744 120.271 -0.527 17613 6913 1 10 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.805 0.058 17613 6914 1 10 . 1 1 60 60 ASP C C 60 176.015 176.015 175.732 0.283 17613 6915 1 10 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.872 0.225 17613 6916 1 10 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.882 0.067 17613 6917 1 10 . 1 1 60 60 ASP H H 60 7.857 7.857 7.398 0.459 17613 6918 1 10 . 1 1 61 61 LYS N N 61 125.818 125.818 125.652 0.166 17613 6919 1 10 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.171 -0.449 17613 6920 1 10 . 1 1 61 61 LYS C C 61 177.673 177.673 178.090 -0.417 17613 6921 1 10 . 1 1 61 61 LYS CA C 61 59.632 59.632 58.701 0.931 17613 6922 1 10 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.004 -0.486 17613 6923 1 10 . 1 1 61 61 LYS H H 61 8.904 8.904 8.691 0.213 17613 6924 1 10 . 1 1 62 62 GLN N N 62 118.918 118.918 121.150 -2.232 17613 6925 1 10 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.180 -0.075 17613 6926 1 10 . 1 1 62 62 GLN C C 62 178.747 178.747 178.068 0.679 17613 6927 1 10 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.541 -0.240 17613 6928 1 10 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.126 -0.678 17613 6929 1 10 . 1 1 62 62 GLN H H 62 8.434 8.434 7.718 0.716 17613 6930 1 10 . 1 1 63 63 LEU N N 63 120.071 120.071 120.151 -0.080 17613 6931 1 10 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.987 0.147 17613 6932 1 10 . 1 1 63 63 LEU C C 63 178.552 178.552 178.951 -0.399 17613 6933 1 10 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.806 -1.163 17613 6934 1 10 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.622 -0.728 17613 6935 1 10 . 1 1 63 63 LEU H H 63 7.671 7.671 8.270 -0.599 17613 6936 1 10 . 1 1 64 64 LEU N N 64 117.705 117.705 119.940 -2.235 17613 6937 1 10 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.875 0.032 17613 6938 1 10 . 1 1 64 64 LEU C C 64 172.526 172.526 178.505 -5.979 17613 6939 1 10 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.517 -0.739 17613 6940 1 10 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.907 -0.557 17613 6941 1 10 . 1 1 64 64 LEU H H 64 7.626 7.626 7.779 -0.153 17613 6942 1 10 . 1 1 65 65 LYS N N 65 118.311 118.311 118.844 -0.533 17613 6943 1 10 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.953 -0.159 17613 6944 1 10 . 1 1 65 65 LYS C C 65 178.479 178.479 179.127 -0.648 17613 6945 1 10 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.069 0.157 17613 6946 1 10 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.202 0.064 17613 6947 1 10 . 1 1 65 65 LYS H H 65 8.038 8.038 7.795 0.243 17613 6948 1 10 . 1 1 66 66 GLU N N 66 119.362 119.362 119.397 -0.035 17613 6949 1 10 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.260 -0.234 17613 6950 1 10 . 1 1 66 66 GLU C C 66 178.893 178.893 179.263 -0.370 17613 6951 1 10 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.753 0.366 17613 6952 1 10 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.250 0.012 17613 6953 1 10 . 1 1 66 66 GLU H H 66 7.803 7.803 7.967 -0.164 17613 6954 1 10 . 1 1 67 67 MET N N 67 118.398 118.398 120.032 -1.634 17613 6955 1 10 . 1 1 67 67 MET HA H 67 3.948 3.948 4.182 -0.234 17613 6956 1 10 . 1 1 67 67 MET C C 67 177.527 177.527 178.422 -0.895 17613 6957 1 10 . 1 1 67 67 MET CA C 67 59.963 59.963 59.140 0.823 17613 6958 1 10 . 1 1 67 67 MET CB C 67 33.443 33.443 32.644 0.799 17613 6959 1 10 . 1 1 67 67 MET H H 67 8.394 8.394 8.117 0.277 17613 6960 1 10 . 1 1 68 68 LEU N N 68 118.269 118.269 118.864 -0.595 17613 6961 1 10 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.898 -0.119 17613 6962 1 10 . 1 1 68 68 LEU C C 68 178.869 178.869 179.444 -0.575 17613 6963 1 10 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.713 0.228 17613 6964 1 10 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.469 -0.594 17613 6965 1 10 . 1 1 68 68 LEU H H 68 8.471 8.471 8.218 0.253 17613 6966 1 10 . 1 1 69 69 GLU N N 69 118.681 118.681 119.558 -0.877 17613 6967 1 10 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.035 0.020 17613 6968 1 10 . 1 1 69 69 GLU C C 69 179.063 179.063 179.224 -0.161 17613 6969 1 10 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.447 -0.023 17613 6970 1 10 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.578 -0.438 17613 6971 1 10 . 1 1 69 69 GLU H H 69 7.627 7.627 7.883 -0.256 17613 6972 1 10 . 1 1 70 70 LEU N N 70 119.503 119.503 120.342 -0.839 17613 6973 1 10 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.027 0.134 17613 6974 1 10 . 1 1 70 70 LEU C C 70 179.699 179.699 179.084 0.615 17613 6975 1 10 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.910 -0.136 17613 6976 1 10 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.951 -0.007 17613 6977 1 10 . 1 1 70 70 LEU H H 70 7.717 7.717 7.742 -0.025 17613 6978 1 10 . 1 1 71 71 ILE N N 71 116.791 116.791 118.689 -1.898 17613 6979 1 10 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.603 0.134 17613 6980 1 10 . 1 1 71 71 ILE C C 71 178.357 178.357 177.808 0.549 17613 6981 1 10 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.595 -1.353 17613 6982 1 10 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.402 0.499 17613 6983 1 10 . 1 1 71 71 ILE H H 71 8.598 8.598 8.376 0.222 17613 6984 1 10 . 1 1 72 72 SER N N 72 116.517 116.517 115.832 0.685 17613 6985 1 10 . 1 1 72 72 SER HA H 72 4.365 4.365 4.176 0.189 17613 6986 1 10 . 1 1 72 72 SER C C 72 176.845 176.845 176.466 0.379 17613 6987 1 10 . 1 1 72 72 SER CA C 72 61.365 61.365 61.438 -0.073 17613 6988 1 10 . 1 1 72 72 SER CB C 72 62.780 62.780 63.098 -0.318 17613 6989 1 10 . 1 1 72 72 SER H H 72 8.023 8.023 8.177 -0.154 17613 6990 1 10 . 1 1 73 73 LYS N N 73 120.731 120.731 120.542 0.189 17613 6991 1 10 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.117 0.174 17613 6992 1 10 . 1 1 73 73 LYS C C 73 177.771 177.771 178.202 -0.431 17613 6993 1 10 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.434 -0.958 17613 6994 1 10 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.553 -0.407 17613 6995 1 10 . 1 1 73 73 LYS H H 73 7.723 7.723 7.422 0.301 17613 6996 1 10 . 1 1 74 74 LEU N N 74 117.572 117.572 117.184 0.388 17613 6997 1 10 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.093 0.134 17613 6998 1 10 . 1 1 74 74 LEU C C 74 177.332 177.332 177.354 -0.022 17613 6999 1 10 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.391 -0.192 17613 7000 1 10 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.295 -0.809 17613 7001 1 10 . 1 1 74 74 LEU H H 74 7.609 7.609 7.657 -0.048 17613 7002 1 10 . 1 1 75 75 GLY N N 75 105.991 105.991 105.472 0.519 17613 7003 1 10 . 1 1 75 75 GLY C C 75 174.771 174.771 174.375 0.396 17613 7004 1 10 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.225 0.617 17613 7005 1 10 . 1 1 75 75 GLY H H 75 7.925 7.925 7.638 0.287 17613 7006 1 10 . 1 1 76 76 TYR N N 76 118.452 118.452 118.483 -0.031 17613 7007 1 10 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.578 0.200 17613 7008 1 10 . 1 1 76 76 TYR C C 76 175.234 175.234 176.382 -1.148 17613 7009 1 10 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.716 -1.212 17613 7010 1 10 . 1 1 76 76 TYR CB C 76 37.962 37.962 40.024 -2.062 17613 7011 1 10 . 1 1 76 76 TYR H H 76 7.366 7.366 7.504 -0.138 17613 7012 1 10 . 1 1 77 77 LYS N N 77 122.866 122.866 122.027 0.839 17613 7013 1 10 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.261 0.287 17613 7014 1 10 . 1 1 77 77 LYS C C 77 174.138 174.138 175.254 -1.116 17613 7015 1 10 . 1 1 77 77 LYS CA C 77 55.070 55.070 56.093 -1.023 17613 7016 1 10 . 1 1 77 77 LYS CB C 77 32.217 32.217 33.051 -0.834 17613 7017 1 10 . 1 1 77 77 LYS H H 77 8.290 8.290 8.823 -0.533 17613 7018 1 10 . 1 1 78 78 VAL N N 78 124.071 124.071 122.893 1.178 17613 7019 1 10 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.883 0.283 17613 7020 1 10 . 1 1 78 78 VAL C C 78 174.162 174.162 174.783 -0.621 17613 7021 1 10 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.136 -0.907 17613 7022 1 10 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.017 1.338 17613 7023 1 10 . 1 1 78 78 VAL H H 78 7.830 7.830 8.165 -0.335 17613 7024 1 10 . 1 1 79 79 PHE N N 79 126.174 126.174 126.692 -0.518 17613 7025 1 10 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.493 0.074 17613 7026 1 10 . 1 1 79 79 PHE C C 79 173.357 173.357 173.823 -0.466 17613 7027 1 10 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.271 -0.318 17613 7028 1 10 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.441 -0.257 17613 7029 1 10 . 1 1 79 79 PHE H H 79 8.374 8.374 8.235 0.139 17613 7030 1 10 . 1 1 80 80 LEU N N 80 123.959 123.959 126.095 -2.136 17613 7031 1 10 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.543 0.003 17613 7032 1 10 . 1 1 80 80 LEU C C 80 173.503 173.503 174.616 -1.113 17613 7033 1 10 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.997 1.001 17613 7034 1 10 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.829 -0.162 17613 7035 1 10 . 1 1 80 80 LEU H H 80 8.601 8.601 8.793 -0.192 17613 7036 1 10 . 1 1 81 81 LEU N N 81 126.694 126.694 128.533 -1.839 17613 7037 1 10 . 1 1 81 81 LEU HA H 81 5.269 5.269 4.966 0.303 17613 7038 1 10 . 1 1 81 81 LEU C C 81 173.649 173.649 174.415 -0.766 17613 7039 1 10 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.813 -0.749 17613 7040 1 10 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.960 0.817 17613 7041 1 10 . 1 1 81 81 LEU H H 81 9.063 9.063 8.879 0.184 17613 7042 1 10 . 1 1 82 82 LEU N N 82 124.888 124.888 128.196 -3.308 17613 7043 1 10 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.968 -0.057 17613 7044 1 10 . 1 1 82 82 LEU C C 82 174.479 174.479 175.041 -0.562 17613 7045 1 10 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.817 -0.682 17613 7046 1 10 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.857 1.365 17613 7047 1 10 . 1 1 82 82 LEU H H 82 8.864 8.864 8.225 0.639 17613 7048 1 10 . 1 1 83 83 GLN N N 83 122.153 122.153 125.294 -3.141 17613 7049 1 10 . 1 1 83 83 GLN HA H 83 5.260 5.260 4.986 0.274 17613 7050 1 10 . 1 1 83 83 GLN C C 83 174.333 174.333 174.220 0.113 17613 7051 1 10 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.752 -0.166 17613 7052 1 10 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.787 -0.917 17613 7053 1 10 . 1 1 83 83 GLN H H 83 8.437 8.437 8.575 -0.138 17613 7054 1 10 . 1 1 84 84 ASP N N 84 124.451 124.451 126.279 -1.828 17613 7055 1 10 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.986 -0.484 17613 7056 1 10 . 1 1 84 84 ASP C C 84 174.308 174.308 174.965 -0.657 17613 7057 1 10 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.543 0.472 17613 7058 1 10 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.595 -0.824 17613 7059 1 10 . 1 1 84 84 ASP H H 84 8.205 8.205 8.311 -0.106 17613 7060 1 10 . 1 1 85 85 GLN N N 85 120.202 120.202 121.622 -1.420 17613 7061 1 10 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.191 0.143 17613 7062 1 10 . 1 1 85 85 GLN C C 85 175.431 175.431 175.532 -0.101 17613 7063 1 10 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.609 -0.014 17613 7064 1 10 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.164 0.170 17613 7065 1 10 . 1 1 85 85 GLN H H 85 8.617 8.617 8.490 0.127 17613 7066 1 10 . 1 1 86 86 ASP N N 86 120.508 120.508 121.011 -0.503 17613 7067 1 10 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.796 -0.111 17613 7068 1 10 . 1 1 86 86 ASP C C 86 175.747 175.747 175.707 0.040 17613 7069 1 10 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.092 0.420 17613 7070 1 10 . 1 1 86 86 ASP CB C 86 40.957 40.957 41.689 -0.732 17613 7071 1 10 . 1 1 86 86 ASP H H 86 8.691 8.691 7.890 0.801 17613 7072 1 10 . 1 1 87 87 GLU N N 87 123.604 123.604 125.346 -1.742 17613 7073 1 10 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.089 -0.054 17613 7074 1 10 . 1 1 87 87 GLU C C 87 177.771 177.771 177.744 0.027 17613 7075 1 10 . 1 1 87 87 GLU CA C 87 58.522 58.522 58.735 -0.213 17613 7076 1 10 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.769 -0.194 17613 7077 1 10 . 1 1 87 87 GLU H H 87 8.642 8.642 8.837 -0.195 17613 7078 1 10 . 1 1 88 88 ASN N N 88 118.838 118.838 118.755 0.083 17613 7079 1 10 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.575 -0.014 17613 7080 1 10 . 1 1 88 88 ASN C C 88 177.089 177.089 177.277 -0.188 17613 7081 1 10 . 1 1 88 88 ASN CA C 88 55.642 55.642 55.992 -0.350 17613 7082 1 10 . 1 1 88 88 ASN CB C 88 38.166 38.166 38.211 -0.045 17613 7083 1 10 . 1 1 88 88 ASN H H 88 8.527 8.527 7.893 0.634 17613 7084 1 10 . 1 1 89 89 GLU N N 89 120.947 120.947 120.529 0.418 17613 7085 1 10 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.118 0.029 17613 7086 1 10 . 1 1 89 89 GLU C C 89 178.357 178.357 179.079 -0.722 17613 7087 1 10 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.790 -0.539 17613 7088 1 10 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.569 -0.325 17613 7089 1 10 . 1 1 89 89 GLU H H 89 8.221 8.221 8.059 0.162 17613 7090 1 10 . 1 1 90 90 LEU N N 90 119.582 119.582 120.549 -0.967 17613 7091 1 10 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.148 0.057 17613 7092 1 10 . 1 1 90 90 LEU C C 90 177.917 177.917 178.659 -0.742 17613 7093 1 10 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.979 -1.035 17613 7094 1 10 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.957 0.499 17613 7095 1 10 . 1 1 90 90 LEU H H 90 8.047 8.047 8.298 -0.251 17613 7096 1 10 . 1 1 91 91 GLU N N 91 119.029 119.029 118.976 0.053 17613 7097 1 10 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.005 0.068 17613 7098 1 10 . 1 1 91 91 GLU C C 91 178.284 178.284 178.820 -0.536 17613 7099 1 10 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.609 -0.480 17613 7100 1 10 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.151 -0.181 17613 7101 1 10 . 1 1 91 91 GLU H H 91 7.940 7.940 7.827 0.113 17613 7102 1 10 . 1 1 92 92 GLU N N 92 118.667 118.667 118.859 -0.192 17613 7103 1 10 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.077 -0.045 17613 7104 1 10 . 1 1 92 92 GLU C C 92 178.103 178.103 179.365 -1.262 17613 7105 1 10 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.184 0.068 17613 7106 1 10 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.317 -0.385 17613 7107 1 10 . 1 1 92 92 GLU H H 92 8.088 8.088 7.726 0.362 17613 7108 1 10 . 1 1 93 93 PHE N N 93 120.118 120.118 120.278 -0.160 17613 7109 1 10 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.365 -0.025 17613 7110 1 10 . 1 1 93 93 PHE C C 93 176.894 176.894 177.291 -0.397 17613 7111 1 10 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.834 0.611 17613 7112 1 10 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.432 -0.445 17613 7113 1 10 . 1 1 93 93 PHE H H 93 8.103 8.103 7.733 0.370 17613 7114 1 10 . 1 1 94 94 LYS N N 94 118.941 118.941 121.098 -2.157 17613 7115 1 10 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.906 -0.289 17613 7116 1 10 . 1 1 94 94 LYS C C 94 177.600 177.600 178.787 -1.187 17613 7117 1 10 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.292 0.784 17613 7118 1 10 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.550 -0.085 17613 7119 1 10 . 1 1 94 94 LYS H H 94 8.606 8.606 8.201 0.405 17613 7120 1 10 . 1 1 95 95 ARG N N 95 117.194 117.194 117.177 0.017 17613 7121 1 10 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.140 0.010 17613 7122 1 10 . 1 1 95 95 ARG C C 95 179.404 179.404 178.455 0.949 17613 7123 1 10 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.700 0.403 17613 7124 1 10 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.784 0.035 17613 7125 1 10 . 1 1 95 95 ARG H H 95 8.159 8.159 8.214 -0.055 17613 7126 1 10 . 1 1 96 96 LYS N N 96 119.582 119.582 120.873 -1.291 17613 7127 1 10 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.076 -0.011 17613 7128 1 10 . 1 1 96 96 LYS C C 96 179.034 179.034 178.399 0.635 17613 7129 1 10 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.060 -0.126 17613 7130 1 10 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.319 -0.250 17613 7131 1 10 . 1 1 96 96 LYS H H 96 7.786 7.786 7.631 0.155 17613 7132 1 10 . 1 1 97 97 ILE N N 97 118.550 118.550 116.653 1.897 17613 7133 1 10 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.983 -0.045 17613 7134 1 10 . 1 1 97 97 ILE C C 97 178.284 178.284 177.845 0.439 17613 7135 1 10 . 1 1 97 97 ILE CA C 97 62.569 62.569 62.869 -0.300 17613 7136 1 10 . 1 1 97 97 ILE CB C 97 37.206 37.206 38.104 -0.898 17613 7137 1 10 . 1 1 97 97 ILE H H 97 7.831 7.831 7.408 0.423 17613 7138 1 10 . 1 1 98 98 GLU N N 98 121.984 121.984 122.358 -0.374 17613 7139 1 10 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.002 0.334 17613 7140 1 10 . 1 1 98 98 GLU C C 98 180.040 180.040 178.630 1.410 17613 7141 1 10 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.863 0.087 17613 7142 1 10 . 1 1 98 98 GLU CB C 98 29.435 29.435 28.956 0.479 17613 7143 1 10 . 1 1 98 98 GLU H H 98 8.670 8.670 7.957 0.713 17613 7144 1 10 . 1 1 99 99 SER N N 99 115.499 115.499 114.713 0.786 17613 7145 1 10 . 1 1 99 99 SER HA H 99 4.343 4.343 4.248 0.095 17613 7146 1 10 . 1 1 99 99 SER C C 99 174.820 174.820 175.845 -1.025 17613 7147 1 10 . 1 1 99 99 SER CA C 99 60.410 60.410 60.527 -0.117 17613 7148 1 10 . 1 1 99 99 SER CB C 99 62.680 62.680 62.913 -0.233 17613 7149 1 10 . 1 1 99 99 SER H H 99 8.099 8.099 7.683 0.416 17613 7150 1 10 . 1 1 100 100 GLN N N 100 119.301 119.301 118.850 0.451 17613 7151 1 10 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.056 0.254 17613 7152 1 10 . 1 1 100 100 GLN C C 100 175.857 175.857 176.204 -0.347 17613 7153 1 10 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.650 0.276 17613 7154 1 10 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.748 0.464 17613 7155 1 10 . 1 1 100 100 GLN H H 100 7.623 7.623 7.371 0.252 17613 7156 1 10 . 1 1 101 101 GLY N N 101 105.765 105.765 108.333 -2.568 17613 7157 1 10 . 1 1 101 101 GLY C C 101 173.748 173.748 173.131 0.617 17613 7158 1 10 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.961 0.242 17613 7159 1 10 . 1 1 101 101 GLY H H 101 7.945 7.945 7.513 0.432 17613 7160 1 10 . 1 1 102 102 TYR N N 102 117.993 117.993 117.097 0.896 17613 7161 1 10 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.639 0.033 17613 7162 1 10 . 1 1 102 102 TYR C C 102 174.747 174.747 175.179 -0.432 17613 7163 1 10 . 1 1 102 102 TYR CA C 102 56.254 56.254 54.916 1.338 17613 7164 1 10 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.189 -1.141 17613 7165 1 10 . 1 1 102 102 TYR H H 102 6.890 6.890 7.380 -0.490 17613 7166 1 10 . 1 1 103 103 GLU N N 103 122.864 122.864 123.259 -0.395 17613 7167 1 10 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.335 0.172 17613 7168 1 10 . 1 1 103 103 GLU C C 103 174.162 174.162 174.844 -0.682 17613 7169 1 10 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.718 0.666 17613 7170 1 10 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.623 1.748 17613 7171 1 10 . 1 1 103 103 GLU H H 103 8.318 8.318 8.409 -0.091 17613 7172 1 10 . 1 1 104 104 VAL N N 104 124.342 124.342 126.331 -1.989 17613 7173 1 10 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.628 0.600 17613 7174 1 10 . 1 1 104 104 VAL C C 104 174.235 174.235 175.818 -1.583 17613 7175 1 10 . 1 1 104 104 VAL CA C 104 59.280 59.280 60.767 -1.487 17613 7176 1 10 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.323 1.844 17613 7177 1 10 . 1 1 104 104 VAL H H 104 8.651 8.651 8.032 0.619 17613 7178 1 10 . 1 1 105 105 ARG N N 105 124.856 124.856 127.900 -3.044 17613 7179 1 10 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.790 0.125 17613 7180 1 10 . 1 1 105 105 ARG C C 105 173.917 173.917 175.200 -1.283 17613 7181 1 10 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.794 -1.329 17613 7182 1 10 . 1 1 105 105 ARG CB C 105 32.955 32.955 34.078 -1.123 17613 7183 1 10 . 1 1 105 105 ARG H H 105 8.705 8.705 8.715 -0.010 17613 7184 1 10 . 1 1 106 106 LYS N N 106 121.499 121.499 123.077 -1.578 17613 7185 1 10 . 1 1 106 106 LYS HA H 106 5.578 5.578 4.702 0.876 17613 7186 1 10 . 1 1 106 106 LYS C C 106 174.820 174.820 175.831 -1.011 17613 7187 1 10 . 1 1 106 106 LYS CA C 106 53.868 53.868 56.095 -2.227 17613 7188 1 10 . 1 1 106 106 LYS CB C 106 35.299 35.299 33.795 1.504 17613 7189 1 10 . 1 1 106 106 LYS H H 106 8.807 8.807 8.480 0.327 17613 7190 1 10 . 1 1 107 107 VAL N N 107 118.792 118.792 122.739 -3.947 17613 7191 1 10 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.567 0.048 17613 7192 1 10 . 1 1 107 107 VAL C C 107 173.332 173.332 173.926 -0.594 17613 7193 1 10 . 1 1 107 107 VAL CA C 107 60.222 60.222 61.279 -1.057 17613 7194 1 10 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.736 -0.502 17613 7195 1 10 . 1 1 107 107 VAL H H 107 8.555 8.555 8.049 0.506 17613 7196 1 10 . 1 1 108 108 THR N N 108 114.072 114.072 119.827 -5.755 17613 7197 1 10 . 1 1 108 108 THR HA H 108 4.781 4.781 4.645 0.136 17613 7198 1 10 . 1 1 108 108 THR C C 108 174.625 174.625 174.311 0.314 17613 7199 1 10 . 1 1 108 108 THR CA C 108 62.221 62.221 61.971 0.250 17613 7200 1 10 . 1 1 108 108 THR CB C 108 69.975 69.975 70.263 -0.288 17613 7201 1 10 . 1 1 108 108 THR H H 108 8.604 8.604 8.683 -0.079 17613 7202 1 10 . 1 1 109 109 ASP N N 109 122.574 122.574 122.855 -0.281 17613 7203 1 10 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.703 0.035 17613 7204 1 10 . 1 1 109 109 ASP C C 109 175.796 175.796 176.777 -0.981 17613 7205 1 10 . 1 1 109 109 ASP CA C 109 53.849 53.849 53.817 0.032 17613 7206 1 10 . 1 1 109 109 ASP CB C 109 43.688 43.688 43.433 0.255 17613 7207 1 10 . 1 1 109 109 ASP H H 109 8.036 8.036 7.856 0.180 17613 7208 1 10 . 1 1 110 110 ASP N N 110 122.852 122.852 124.571 -1.719 17613 7209 1 10 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.370 -0.275 17613 7210 1 10 . 1 1 110 110 ASP C C 110 177.527 177.527 177.540 -0.013 17613 7211 1 10 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.200 0.188 17613 7212 1 10 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.760 -0.459 17613 7213 1 10 . 1 1 110 110 ASP H H 110 8.696 8.696 8.706 -0.010 17613 7214 1 10 . 1 1 111 111 GLU N N 111 119.144 119.144 120.317 -1.173 17613 7215 1 10 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.077 -0.089 17613 7216 1 10 . 1 1 111 111 GLU C C 111 179.942 179.942 178.568 1.374 17613 7217 1 10 . 1 1 111 111 GLU CA C 111 59.357 59.357 58.715 0.642 17613 7218 1 10 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.569 -1.073 17613 7219 1 10 . 1 1 111 111 GLU H H 111 8.213 8.213 8.049 0.164 17613 7220 1 10 . 1 1 112 112 GLU N N 112 121.400 121.400 120.522 0.878 17613 7221 1 10 . 1 1 112 112 GLU HA H 112 3.997 3.997 3.956 0.041 17613 7222 1 10 . 1 1 112 112 GLU C C 112 178.430 178.430 178.515 -0.085 17613 7223 1 10 . 1 1 112 112 GLU CA C 112 58.749 58.749 59.238 -0.489 17613 7224 1 10 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.534 -0.340 17613 7225 1 10 . 1 1 112 112 GLU H H 112 8.234 8.234 8.096 0.138 17613 7226 1 10 . 1 1 113 113 ALA N N 113 120.316 120.316 122.087 -1.771 17613 7227 1 10 . 1 1 113 113 ALA HA H 113 3.800 3.800 3.995 -0.195 17613 7228 1 10 . 1 1 113 113 ALA C C 113 178.430 178.430 179.733 -1.303 17613 7229 1 10 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.117 0.265 17613 7230 1 10 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.082 0.520 17613 7231 1 10 . 1 1 113 113 ALA H H 113 8.118 8.118 7.626 0.492 17613 7232 1 10 . 1 1 114 114 LEU N N 114 116.901 116.901 117.818 -0.917 17613 7233 1 10 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.766 -0.053 17613 7234 1 10 . 1 1 114 114 LEU C C 114 178.431 178.431 179.256 -0.825 17613 7235 1 10 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.673 0.002 17613 7236 1 10 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.336 -0.400 17613 7237 1 10 . 1 1 114 114 LEU H H 114 7.743 7.743 7.486 0.257 17613 7238 1 10 . 1 1 115 115 LYS N N 115 119.066 119.066 118.117 0.949 17613 7239 1 10 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.960 -0.160 17613 7240 1 10 . 1 1 115 115 LYS C C 115 179.404 179.404 179.226 0.178 17613 7241 1 10 . 1 1 115 115 LYS CA C 115 59.883 59.883 58.470 1.413 17613 7242 1 10 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.735 0.443 17613 7243 1 10 . 1 1 115 115 LYS H H 115 7.617 7.617 7.907 -0.290 17613 7244 1 10 . 1 1 116 116 ILE N N 116 120.613 120.613 119.236 1.377 17613 7245 1 10 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.631 -0.171 17613 7246 1 10 . 1 1 116 116 ILE C C 116 177.016 177.016 177.719 -0.703 17613 7247 1 10 . 1 1 116 116 ILE CA C 116 64.122 64.122 63.084 1.038 17613 7248 1 10 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.607 -0.284 17613 7249 1 10 . 1 1 116 116 ILE H H 116 8.004 8.004 7.946 0.058 17613 7250 1 10 . 1 1 117 117 VAL N N 117 120.234 120.234 120.590 -0.356 17613 7251 1 10 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.423 -0.163 17613 7252 1 10 . 1 1 117 117 VAL C C 117 177.746 177.746 177.715 0.031 17613 7253 1 10 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.200 0.305 17613 7254 1 10 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.974 -0.222 17613 7255 1 10 . 1 1 117 117 VAL H H 117 8.121 8.121 7.884 0.237 17613 7256 1 10 . 1 1 118 118 ARG N N 118 118.415 118.415 118.525 -0.110 17613 7257 1 10 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.987 -0.094 17613 7258 1 10 . 1 1 118 118 ARG C C 118 178.966 178.966 178.943 0.023 17613 7259 1 10 . 1 1 118 118 ARG CA C 118 60.169 60.169 58.966 1.203 17613 7260 1 10 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.678 0.024 17613 7261 1 10 . 1 1 118 118 ARG H H 118 8.026 8.026 7.541 0.485 17613 7262 1 10 . 1 1 119 119 GLU N N 119 122.419 122.419 121.011 1.408 17613 7263 1 10 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.040 -0.013 17613 7264 1 10 . 1 1 119 119 GLU C C 119 179.429 179.429 178.722 0.707 17613 7265 1 10 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.102 0.428 17613 7266 1 10 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.127 -0.166 17613 7267 1 10 . 1 1 119 119 GLU H H 119 7.918 7.918 7.816 0.102 17613 7268 1 10 . 1 1 120 120 PHE N N 120 119.597 119.597 119.228 0.369 17613 7269 1 10 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.938 0.084 17613 7270 1 10 . 1 1 120 120 PHE C C 120 177.698 177.698 178.175 -0.477 17613 7271 1 10 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.957 -3.089 17613 7272 1 10 . 1 1 120 120 PHE CB C 120 36.753 36.753 37.917 -1.164 17613 7273 1 10 . 1 1 120 120 PHE H H 120 8.826 8.826 7.949 0.877 17613 7274 1 10 . 1 1 121 121 MET N N 121 116.596 116.596 116.330 0.266 17613 7275 1 10 . 1 1 121 121 MET HA H 121 3.931 3.931 3.539 0.392 17613 7276 1 10 . 1 1 121 121 MET C C 121 179.577 179.577 178.221 1.356 17613 7277 1 10 . 1 1 121 121 MET CA C 121 59.785 59.785 58.879 0.906 17613 7278 1 10 . 1 1 121 121 MET CB C 121 33.643 33.643 31.664 1.979 17613 7279 1 10 . 1 1 121 121 MET H H 121 8.317 8.317 8.259 0.058 17613 7280 1 10 . 1 1 122 122 GLN N N 122 120.565 120.565 119.969 0.596 17613 7281 1 10 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.891 0.244 17613 7282 1 10 . 1 1 122 122 GLN C C 122 178.893 178.893 178.288 0.605 17613 7283 1 10 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.271 -0.526 17613 7284 1 10 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.619 -0.599 17613 7285 1 10 . 1 1 122 122 GLN H H 122 8.054 8.054 7.760 0.294 17613 7286 1 10 . 1 1 123 123 LYS N N 123 121.605 121.605 119.290 2.315 17613 7287 1 10 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.055 -0.030 17613 7288 1 10 . 1 1 123 123 LYS C C 123 179.307 179.307 178.931 0.376 17613 7289 1 10 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.962 0.281 17613 7290 1 10 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.390 -0.084 17613 7291 1 10 . 1 1 123 123 LYS H H 123 8.400 8.400 8.015 0.385 17613 7292 1 10 . 1 1 124 124 ALA N N 124 121.873 121.873 121.166 0.707 17613 7293 1 10 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.179 -0.035 17613 7294 1 10 . 1 1 124 124 ALA C C 124 179.112 179.112 179.786 -0.674 17613 7295 1 10 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.759 -0.107 17613 7296 1 10 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.009 0.924 17613 7297 1 10 . 1 1 124 124 ALA H H 124 8.601 8.601 7.955 0.646 17613 7298 1 10 . 1 1 125 125 GLY N N 125 104.755 104.755 105.208 -0.453 17613 7299 1 10 . 1 1 125 125 GLY C C 125 175.553 175.553 175.433 0.120 17613 7300 1 10 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.440 -0.149 17613 7301 1 10 . 1 1 125 125 GLY H H 125 7.949 7.949 8.116 -0.167 17613 7302 1 10 . 1 1 126 126 SER N N 126 116.080 116.080 114.967 1.113 17613 7303 1 10 . 1 1 126 126 SER HA H 126 4.447 4.447 4.341 0.106 17613 7304 1 10 . 1 1 126 126 SER C C 126 175.504 175.504 176.372 -0.868 17613 7305 1 10 . 1 1 126 126 SER CA C 126 59.965 59.965 59.989 -0.023 17613 7306 1 10 . 1 1 126 126 SER CB C 126 63.460 63.460 63.563 -0.103 17613 7307 1 10 . 1 1 126 126 SER H H 126 7.861 7.861 7.559 0.302 17613 7308 1 10 . 1 1 127 127 LEU N N 127 122.372 122.372 122.402 -0.030 17613 7309 1 10 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.267 0.015 17613 7310 1 10 . 1 1 127 127 LEU C C 127 177.990 177.990 179.228 -1.238 17613 7311 1 10 . 1 1 127 127 LEU CA C 127 56.217 56.217 57.764 -1.547 17613 7312 1 10 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.940 0.133 17613 7313 1 10 . 1 1 127 127 LEU H H 127 7.882 7.882 7.939 -0.057 17613 7314 1 10 . 1 1 128 128 GLU N N 128 119.775 119.775 115.257 4.518 17613 7315 1 10 . 1 1 128 128 GLU HA H 128 3.908 3.908 3.555 0.353 17613 7316 1 10 . 1 1 128 128 GLU CA C 128 57.611 57.611 56.548 1.063 17613 7317 1 10 . 1 1 128 128 GLU CB C 128 29.830 29.830 28.812 1.018 17613 7318 1 10 . 1 1 128 128 GLU H H 128 8.084 8.084 7.768 0.316 17613 7319 1 10 . 1 1 131 131 HIS N N 131 125.272 125.272 119.924 5.348 17613 7320 1 10 . 1 1 131 131 HIS H H 131 8.059 8.059 8.055 0.004 17613 7321 1 11 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.594 0.232 17613 7322 1 11 . 1 1 3 3 ILE C C 3 173.405 173.405 174.994 -1.589 17613 7323 1 11 . 1 1 3 3 ILE CA C 3 59.556 59.556 59.403 0.153 17613 7324 1 11 . 1 1 3 3 ILE CB C 3 40.508 40.508 37.670 2.838 17613 7325 1 11 . 1 1 3 3 ILE H H 3 8.444 8.444 8.572 -0.128 17613 7326 1 11 . 1 1 4 4 LEU N N 4 127.785 127.785 128.116 -0.331 17613 7327 1 11 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.296 0.163 17613 7328 1 11 . 1 1 4 4 LEU C C 4 174.832 174.832 176.483 -1.651 17613 7329 1 11 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.230 0.112 17613 7330 1 11 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.755 1.558 17613 7331 1 11 . 1 1 4 4 LEU H H 4 9.081 9.081 7.955 1.126 17613 7332 1 11 . 1 1 5 5 ILE N N 5 123.010 123.010 124.793 -1.783 17613 7333 1 11 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.526 0.307 17613 7334 1 11 . 1 1 5 5 ILE C C 5 173.357 173.357 174.881 -1.524 17613 7335 1 11 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.367 1.177 17613 7336 1 11 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.536 2.996 17613 7337 1 11 . 1 1 5 5 ILE H H 5 8.765 8.765 8.285 0.480 17613 7338 1 11 . 1 1 6 6 LEU N N 6 129.320 129.320 130.221 -0.901 17613 7339 1 11 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.315 0.031 17613 7340 1 11 . 1 1 6 6 LEU C C 6 174.795 174.795 175.183 -0.388 17613 7341 1 11 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.093 -0.093 17613 7342 1 11 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.973 0.555 17613 7343 1 11 . 1 1 6 6 LEU H H 6 9.235 9.235 8.482 0.753 17613 7344 1 11 . 1 1 7 7 ILE N N 7 120.746 120.746 124.798 -4.052 17613 7345 1 11 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.903 0.278 17613 7346 1 11 . 1 1 7 7 ILE C C 7 173.819 173.819 174.062 -0.243 17613 7347 1 11 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.067 -1.852 17613 7348 1 11 . 1 1 7 7 ILE CB C 7 40.154 40.154 42.086 -1.932 17613 7349 1 11 . 1 1 7 7 ILE H H 7 8.931 8.931 8.961 -0.030 17613 7350 1 11 . 1 1 8 8 ASN N N 8 125.539 125.539 124.502 1.037 17613 7351 1 11 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.344 0.558 17613 7352 1 11 . 1 1 8 8 ASN C C 8 176.478 176.478 173.667 2.811 17613 7353 1 11 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.048 -0.944 17613 7354 1 11 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.161 1.421 17613 7355 1 11 . 1 1 8 8 ASN H H 8 8.634 8.634 8.725 -0.091 17613 7356 1 11 . 1 1 9 9 THR N N 9 118.493 118.493 119.669 -1.176 17613 7357 1 11 . 1 1 9 9 THR HA H 9 4.739 4.739 4.716 0.023 17613 7358 1 11 . 1 1 9 9 THR C C 9 170.114 170.114 174.258 -4.144 17613 7359 1 11 . 1 1 9 9 THR CA C 9 60.689 60.689 60.033 0.656 17613 7360 1 11 . 1 1 9 9 THR CB C 9 67.766 67.766 70.719 -2.953 17613 7361 1 11 . 1 1 9 9 THR H H 9 8.044 8.044 8.364 -0.321 17613 7362 1 11 . 1 1 10 10 ASN N N 10 123.266 123.266 126.116 -2.850 17613 7363 1 11 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.641 0.326 17613 7364 1 11 . 1 1 10 10 ASN C C 10 174.601 174.601 174.703 -0.102 17613 7365 1 11 . 1 1 10 10 ASN CA C 10 51.844 51.844 53.800 -1.956 17613 7366 1 11 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.037 0.279 17613 7367 1 11 . 1 1 10 10 ASN H H 10 8.440 8.440 8.928 -0.488 17613 7368 1 11 . 1 1 11 11 ASN N N 11 120.920 120.920 118.061 2.859 17613 7369 1 11 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.870 -0.177 17613 7370 1 11 . 1 1 11 11 ASN C C 11 174.333 174.333 175.385 -1.052 17613 7371 1 11 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.188 0.249 17613 7372 1 11 . 1 1 11 11 ASN CB C 11 38.349 38.349 40.364 -2.015 17613 7373 1 11 . 1 1 11 11 ASN H H 11 8.366 8.366 7.513 0.853 17613 7374 1 11 . 1 1 12 12 ASP N N 12 126.315 126.315 126.269 0.046 17613 7375 1 11 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.369 -0.096 17613 7376 1 11 . 1 1 12 12 ASP C C 12 178.089 178.089 177.459 0.630 17613 7377 1 11 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.731 -0.123 17613 7378 1 11 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.915 0.246 17613 7379 1 11 . 1 1 12 12 ASP H H 12 8.586 8.586 8.971 -0.385 17613 7380 1 11 . 1 1 13 13 GLU N N 13 119.325 119.325 120.000 -0.675 17613 7381 1 11 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.040 -0.014 17613 7382 1 11 . 1 1 13 13 GLU C C 13 178.893 178.893 178.781 0.112 17613 7383 1 11 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.050 -0.043 17613 7384 1 11 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.620 -0.912 17613 7385 1 11 . 1 1 13 13 GLU H H 13 8.289 8.289 7.939 0.350 17613 7386 1 11 . 1 1 14 14 LEU N N 14 121.683 121.683 119.012 2.671 17613 7387 1 11 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.166 -0.181 17613 7388 1 11 . 1 1 14 14 LEU C C 14 178.309 178.309 178.969 -0.660 17613 7389 1 11 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.678 0.583 17613 7390 1 11 . 1 1 14 14 LEU CB C 14 40.105 40.105 41.045 -0.940 17613 7391 1 11 . 1 1 14 14 LEU H H 14 7.577 7.577 7.484 0.093 17613 7392 1 11 . 1 1 15 15 ILE N N 15 119.483 119.483 120.023 -0.540 17613 7393 1 11 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.535 -0.316 17613 7394 1 11 . 1 1 15 15 ILE C C 15 177.138 177.138 177.785 -0.647 17613 7395 1 11 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.802 0.788 17613 7396 1 11 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.519 -0.095 17613 7397 1 11 . 1 1 15 15 ILE H H 15 8.238 8.238 7.459 0.779 17613 7398 1 11 . 1 1 16 16 LYS N N 16 117.596 117.596 118.358 -0.762 17613 7399 1 11 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.034 -0.191 17613 7400 1 11 . 1 1 16 16 LYS C C 16 179.577 179.577 178.757 0.820 17613 7401 1 11 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.383 0.786 17613 7402 1 11 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.018 0.146 17613 7403 1 11 . 1 1 16 16 LYS H H 16 7.604 7.604 7.760 -0.156 17613 7404 1 11 . 1 1 17 17 LYS N N 17 118.832 118.832 119.951 -1.119 17613 7405 1 11 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.110 -0.118 17613 7406 1 11 . 1 1 17 17 LYS C C 17 179.380 179.380 178.950 0.430 17613 7407 1 11 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.457 0.383 17613 7408 1 11 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.527 0.538 17613 7409 1 11 . 1 1 17 17 LYS H H 17 7.583 7.583 7.776 -0.193 17613 7410 1 11 . 1 1 18 18 ILE N N 18 120.961 120.961 120.324 0.637 17613 7411 1 11 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.652 -0.280 17613 7412 1 11 . 1 1 18 18 ILE C C 18 176.967 176.967 177.640 -0.673 17613 7413 1 11 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.064 0.410 17613 7414 1 11 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.657 -0.101 17613 7415 1 11 . 1 1 18 18 ILE H H 18 8.785 8.785 8.018 0.767 17613 7416 1 11 . 1 1 19 19 LYS N N 19 118.324 118.324 119.976 -1.652 17613 7417 1 11 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.938 -0.258 17613 7418 1 11 . 1 1 19 19 LYS C C 19 177.746 177.746 179.133 -1.387 17613 7419 1 11 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.913 0.941 17613 7420 1 11 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.157 0.169 17613 7421 1 11 . 1 1 19 19 LYS H H 19 8.532 8.532 7.793 0.739 17613 7422 1 11 . 1 1 20 20 LYS N N 20 116.284 116.284 118.688 -2.404 17613 7423 1 11 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.134 -0.047 17613 7424 1 11 . 1 1 20 20 LYS C C 20 178.406 178.406 179.307 -0.901 17613 7425 1 11 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.456 0.083 17613 7426 1 11 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.877 0.104 17613 7427 1 11 . 1 1 20 20 LYS H H 20 7.303 7.303 7.427 -0.124 17613 7428 1 11 . 1 1 21 21 GLU N N 21 118.488 118.488 118.885 -0.397 17613 7429 1 11 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.058 -0.095 17613 7430 1 11 . 1 1 21 21 GLU C C 21 179.088 179.088 179.331 -0.243 17613 7431 1 11 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.305 -0.411 17613 7432 1 11 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.671 -0.237 17613 7433 1 11 . 1 1 21 21 GLU H H 21 7.665 7.665 7.991 -0.326 17613 7434 1 11 . 1 1 22 22 VAL N N 22 109.032 109.032 113.979 -4.947 17613 7435 1 11 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.152 -0.020 17613 7436 1 11 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.965 -1.166 17613 7437 1 11 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.750 -1.921 17613 7438 1 11 . 1 1 22 22 VAL H H 22 8.037 8.037 7.927 0.110 17613 7439 1 11 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.542 0.175 17613 7440 1 11 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.355 3.453 17613 7441 1 11 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.408 -0.237 17613 7442 1 11 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.549 0.097 17613 7443 1 11 . 1 1 25 25 GLN C C 25 175.692 175.692 176.733 -1.041 17613 7444 1 11 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.284 -0.266 17613 7445 1 11 . 1 1 26 26 GLY N N 26 106.368 106.368 107.286 -0.918 17613 7446 1 11 . 1 1 26 26 GLY C C 26 174.382 174.382 174.270 0.112 17613 7447 1 11 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.561 0.396 17613 7448 1 11 . 1 1 26 26 GLY H H 26 8.020 8.020 7.693 0.327 17613 7449 1 11 . 1 1 27 27 TYR N N 27 119.082 119.082 119.077 0.005 17613 7450 1 11 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.909 -0.476 17613 7451 1 11 . 1 1 27 27 TYR C C 27 174.528 174.528 175.392 -0.864 17613 7452 1 11 . 1 1 27 27 TYR CA C 27 58.054 58.054 56.505 1.549 17613 7453 1 11 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.959 -0.954 17613 7454 1 11 . 1 1 27 27 TYR H H 27 7.845 7.845 8.222 -0.377 17613 7455 1 11 . 1 1 28 28 GLN N N 28 120.362 120.362 124.406 -4.044 17613 7456 1 11 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.445 0.054 17613 7457 1 11 . 1 1 28 28 GLN C C 28 174.625 174.625 175.629 -1.004 17613 7458 1 11 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.294 -0.914 17613 7459 1 11 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.479 1.976 17613 7460 1 11 . 1 1 28 28 GLN H H 28 8.338 8.338 8.377 -0.039 17613 7461 1 11 . 1 1 29 29 VAL N N 29 123.482 123.482 125.875 -2.393 17613 7462 1 11 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.665 0.378 17613 7463 1 11 . 1 1 29 29 VAL C C 29 175.820 175.820 176.407 -0.587 17613 7464 1 11 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.760 -1.272 17613 7465 1 11 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.482 -0.009 17613 7466 1 11 . 1 1 29 29 VAL H H 29 8.776 8.776 8.283 0.493 17613 7467 1 11 . 1 1 30 30 ARG N N 30 127.787 127.787 127.207 0.580 17613 7468 1 11 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.761 -0.021 17613 7469 1 11 . 1 1 30 30 ARG C C 30 173.332 173.332 174.206 -0.874 17613 7470 1 11 . 1 1 30 30 ARG CA C 30 53.788 53.788 52.856 0.932 17613 7471 1 11 . 1 1 30 30 ARG CB C 30 32.391 32.391 33.163 -0.772 17613 7472 1 11 . 1 1 30 30 ARG H H 30 9.135 9.135 8.800 0.335 17613 7473 1 11 . 1 1 31 31 ASP N N 31 121.895 121.895 120.608 1.287 17613 7474 1 11 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.548 -0.338 17613 7475 1 11 . 1 1 31 31 ASP C C 31 175.282 175.282 174.857 0.425 17613 7476 1 11 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.598 0.772 17613 7477 1 11 . 1 1 31 31 ASP CB C 31 42.722 42.722 43.996 -1.274 17613 7478 1 11 . 1 1 31 31 ASP H H 31 8.377 8.377 8.393 -0.016 17613 7479 1 11 . 1 1 32 32 VAL N N 32 120.426 120.426 119.791 0.635 17613 7480 1 11 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.280 -0.032 17613 7481 1 11 . 1 1 32 32 VAL C C 32 174.114 174.114 174.626 -0.512 17613 7482 1 11 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.535 0.022 17613 7483 1 11 . 1 1 32 32 VAL CB C 32 33.884 33.884 34.761 -0.877 17613 7484 1 11 . 1 1 32 32 VAL H H 32 8.441 8.441 8.361 0.080 17613 7485 1 11 . 1 1 33 33 ASN N N 33 122.700 122.700 123.508 -0.808 17613 7486 1 11 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.918 0.059 17613 7487 1 11 . 1 1 33 33 ASN C C 33 174.235 174.235 173.761 0.474 17613 7488 1 11 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.288 0.107 17613 7489 1 11 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.976 -0.107 17613 7490 1 11 . 1 1 33 33 ASN H H 33 9.550 9.550 8.779 0.771 17613 7491 1 11 . 1 1 34 34 ASP N N 34 114.885 114.885 118.920 -4.035 17613 7492 1 11 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.817 -0.114 17613 7493 1 11 . 1 1 34 34 ASP C C 34 175.626 175.626 176.422 -0.796 17613 7494 1 11 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.577 0.907 17613 7495 1 11 . 1 1 34 34 ASP CB C 34 42.396 42.396 42.762 -0.366 17613 7496 1 11 . 1 1 34 34 ASP H H 34 7.616 7.616 7.979 -0.363 17613 7497 1 11 . 1 1 35 35 SER N N 35 114.381 114.381 119.832 -5.451 17613 7498 1 11 . 1 1 35 35 SER HA H 35 4.046 4.046 4.105 -0.059 17613 7499 1 11 . 1 1 35 35 SER C C 35 175.991 175.991 176.209 -0.218 17613 7500 1 11 . 1 1 35 35 SER CA C 35 61.446 61.446 61.756 -0.310 17613 7501 1 11 . 1 1 35 35 SER CB C 35 62.764 62.764 63.300 -0.536 17613 7502 1 11 . 1 1 35 35 SER H H 35 8.869 8.869 8.763 0.106 17613 7503 1 11 . 1 1 36 36 ASP N N 36 124.695 124.695 121.820 2.875 17613 7504 1 11 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.414 0.105 17613 7505 1 11 . 1 1 36 36 ASP C C 36 179.136 179.136 177.947 1.189 17613 7506 1 11 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.373 0.294 17613 7507 1 11 . 1 1 36 36 ASP CB C 36 40.284 40.284 41.062 -0.778 17613 7508 1 11 . 1 1 36 36 ASP H H 36 8.388 8.388 8.288 0.100 17613 7509 1 11 . 1 1 37 37 GLU N N 37 122.449 122.449 120.044 2.405 17613 7510 1 11 . 1 1 37 37 GLU HA H 37 4.059 4.059 3.961 0.098 17613 7511 1 11 . 1 1 37 37 GLU C C 37 178.698 178.698 178.861 -0.163 17613 7512 1 11 . 1 1 37 37 GLU CA C 37 59.209 59.209 59.119 0.090 17613 7513 1 11 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.610 0.111 17613 7514 1 11 . 1 1 37 37 GLU H H 37 9.009 9.009 8.112 0.897 17613 7515 1 11 . 1 1 38 38 LEU N N 38 119.580 119.580 121.673 -2.093 17613 7516 1 11 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.985 -0.074 17613 7517 1 11 . 1 1 38 38 LEU C C 38 177.649 177.649 178.465 -0.816 17613 7518 1 11 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.293 0.840 17613 7519 1 11 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.075 -1.006 17613 7520 1 11 . 1 1 38 38 LEU H H 38 8.203 8.203 7.878 0.325 17613 7521 1 11 . 1 1 39 39 LYS N N 39 118.404 118.404 118.164 0.240 17613 7522 1 11 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.945 -0.104 17613 7523 1 11 . 1 1 39 39 LYS C C 39 179.577 179.577 179.266 0.311 17613 7524 1 11 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.767 0.099 17613 7525 1 11 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.205 -0.157 17613 7526 1 11 . 1 1 39 39 LYS H H 39 7.829 7.829 7.817 0.012 17613 7527 1 11 . 1 1 40 40 LYS N N 40 119.271 119.271 119.519 -0.248 17613 7528 1 11 . 1 1 40 40 LYS HA H 40 4.022 4.022 3.978 0.044 17613 7529 1 11 . 1 1 40 40 LYS C C 40 179.577 179.577 178.884 0.693 17613 7530 1 11 . 1 1 40 40 LYS CA C 40 59.590 59.590 60.100 -0.510 17613 7531 1 11 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.278 0.122 17613 7532 1 11 . 1 1 40 40 LYS H H 40 7.779 7.779 7.956 -0.177 17613 7533 1 11 . 1 1 41 41 GLU N N 41 119.647 119.647 119.098 0.549 17613 7534 1 11 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.156 0.107 17613 7535 1 11 . 1 1 41 41 GLU C C 41 179.504 179.504 178.655 0.849 17613 7536 1 11 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.361 -0.287 17613 7537 1 11 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.041 -0.795 17613 7538 1 11 . 1 1 41 41 GLU H H 41 8.721 8.721 8.040 0.681 17613 7539 1 11 . 1 1 42 42 MET N N 42 118.114 118.114 118.309 -0.195 17613 7540 1 11 . 1 1 42 42 MET HA H 42 4.383 4.383 4.317 0.066 17613 7541 1 11 . 1 1 42 42 MET C C 42 179.185 179.185 178.634 0.551 17613 7542 1 11 . 1 1 42 42 MET CA C 42 57.054 57.054 56.943 0.111 17613 7543 1 11 . 1 1 42 42 MET CB C 42 31.254 31.254 31.617 -0.363 17613 7544 1 11 . 1 1 42 42 MET H H 42 8.779 8.779 7.918 0.861 17613 7545 1 11 . 1 1 43 43 LYS N N 43 120.740 120.740 120.250 0.490 17613 7546 1 11 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.047 0.041 17613 7547 1 11 . 1 1 43 43 LYS C C 43 178.187 178.187 178.962 -0.775 17613 7548 1 11 . 1 1 43 43 LYS CA C 43 59.390 59.390 58.950 0.440 17613 7549 1 11 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.944 0.018 17613 7550 1 11 . 1 1 43 43 LYS H H 43 7.499 7.499 7.611 -0.112 17613 7551 1 11 . 1 1 44 44 LYS N N 44 118.269 118.269 119.870 -1.601 17613 7552 1 11 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.150 -0.089 17613 7553 1 11 . 1 1 44 44 LYS C C 44 179.601 179.601 179.198 0.403 17613 7554 1 11 . 1 1 44 44 LYS CA C 44 59.500 59.500 59.327 0.173 17613 7555 1 11 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.213 -0.143 17613 7556 1 11 . 1 1 44 44 LYS H H 44 7.445 7.445 7.767 -0.322 17613 7557 1 11 . 1 1 45 45 LEU N N 45 117.785 117.785 117.544 0.241 17613 7558 1 11 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.029 0.119 17613 7559 1 11 . 1 1 45 45 LEU C C 45 178.357 178.357 178.306 0.051 17613 7560 1 11 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.562 -0.376 17613 7561 1 11 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.780 -0.007 17613 7562 1 11 . 1 1 45 45 LEU H H 45 8.161 8.161 8.299 -0.138 17613 7563 1 11 . 1 1 46 46 ALA N N 46 118.538 118.538 119.007 -0.469 17613 7564 1 11 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.188 0.064 17613 7565 1 11 . 1 1 46 46 ALA C C 46 178.893 178.893 178.858 0.035 17613 7566 1 11 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.897 -0.225 17613 7567 1 11 . 1 1 46 46 ALA CB C 46 18.882 18.882 19.018 -0.136 17613 7568 1 11 . 1 1 46 46 ALA H H 46 7.637 7.637 7.403 0.234 17613 7569 1 11 . 1 1 47 47 GLU N N 47 115.492 115.492 118.573 -3.081 17613 7570 1 11 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.169 0.081 17613 7571 1 11 . 1 1 47 47 GLU C C 47 176.478 176.478 178.273 -1.795 17613 7572 1 11 . 1 1 47 47 GLU CA C 47 56.931 56.931 58.617 -1.686 17613 7573 1 11 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.244 0.173 17613 7574 1 11 . 1 1 47 47 GLU H H 47 7.713 7.713 7.880 -0.167 17613 7575 1 11 . 1 1 48 48 GLU N N 48 120.573 120.573 119.687 0.886 17613 7576 1 11 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.413 -0.040 17613 7577 1 11 . 1 1 48 48 GLU C C 48 173.624 173.624 175.503 -1.879 17613 7578 1 11 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.598 0.423 17613 7579 1 11 . 1 1 48 48 GLU CB C 48 29.910 29.910 28.301 1.609 17613 7580 1 11 . 1 1 48 48 GLU H H 48 7.748 7.748 8.116 -0.368 17613 7581 1 11 . 1 1 49 49 LYS N N 49 124.420 124.420 121.648 2.772 17613 7582 1 11 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.083 0.235 17613 7583 1 11 . 1 1 49 49 LYS C C 49 176.843 176.843 175.787 1.056 17613 7584 1 11 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.032 0.485 17613 7585 1 11 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.398 0.064 17613 7586 1 11 . 1 1 49 49 LYS H H 49 8.607 8.607 7.417 1.190 17613 7587 1 11 . 1 1 50 50 ASN N N 50 117.993 117.993 118.216 -0.223 17613 7588 1 11 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.621 0.003 17613 7589 1 11 . 1 1 50 50 ASN C C 50 176.454 176.454 175.821 0.633 17613 7590 1 11 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.553 0.002 17613 7591 1 11 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.576 0.460 17613 7592 1 11 . 1 1 50 50 ASN H H 50 8.723 8.723 7.939 0.784 17613 7593 1 11 . 1 1 51 51 PHE N N 51 120.700 120.700 118.778 1.922 17613 7594 1 11 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.291 0.467 17613 7595 1 11 . 1 1 51 51 PHE CA C 51 57.935 57.935 58.916 -0.981 17613 7596 1 11 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.702 0.273 17613 7597 1 11 . 1 1 51 51 PHE H H 51 8.341 8.341 8.989 -0.648 17613 7598 1 11 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.045 0.213 17613 7599 1 11 . 1 1 52 52 GLU C C 52 173.600 173.600 175.970 -2.370 17613 7600 1 11 . 1 1 52 52 GLU CA C 52 56.254 56.254 56.450 -0.196 17613 7601 1 11 . 1 1 52 52 GLU CB C 52 33.459 33.459 30.107 3.352 17613 7602 1 11 . 1 1 53 53 LYS N N 53 119.964 119.964 123.765 -3.801 17613 7603 1 11 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.440 0.249 17613 7604 1 11 . 1 1 53 53 LYS C C 53 174.430 174.430 175.603 -1.173 17613 7605 1 11 . 1 1 53 53 LYS CA C 53 55.356 55.356 54.571 0.785 17613 7606 1 11 . 1 1 53 53 LYS CB C 53 31.445 31.445 32.489 -1.044 17613 7607 1 11 . 1 1 53 53 LYS H H 53 7.962 7.962 8.266 -0.304 17613 7608 1 11 . 1 1 54 54 ILE N N 54 124.730 124.730 124.077 0.653 17613 7609 1 11 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.549 0.297 17613 7610 1 11 . 1 1 54 54 ILE C C 54 173.089 173.089 174.531 -1.442 17613 7611 1 11 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.790 0.474 17613 7612 1 11 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.815 3.138 17613 7613 1 11 . 1 1 54 54 ILE H H 54 8.804 8.804 7.905 0.899 17613 7614 1 11 . 1 1 55 55 LEU N N 55 130.086 130.086 128.672 1.414 17613 7615 1 11 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.148 0.493 17613 7616 1 11 . 1 1 55 55 LEU C C 55 174.430 174.430 175.110 -0.680 17613 7617 1 11 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.562 -0.060 17613 7618 1 11 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.011 0.191 17613 7619 1 11 . 1 1 55 55 LEU H H 55 9.103 9.103 8.291 0.812 17613 7620 1 11 . 1 1 56 56 ILE N N 56 125.983 125.983 125.819 0.164 17613 7621 1 11 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.839 0.218 17613 7622 1 11 . 1 1 56 56 ILE C C 56 174.089 174.089 174.945 -0.856 17613 7623 1 11 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.809 0.300 17613 7624 1 11 . 1 1 56 56 ILE CB C 56 39.823 39.823 39.437 0.386 17613 7625 1 11 . 1 1 56 56 ILE H H 56 9.182 9.182 8.656 0.526 17613 7626 1 11 . 1 1 57 57 ILE N N 57 127.241 127.241 127.506 -0.265 17613 7627 1 11 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.245 -0.333 17613 7628 1 11 . 1 1 57 57 ILE C C 57 174.869 174.869 174.996 -0.127 17613 7629 1 11 . 1 1 57 57 ILE CA C 57 59.255 59.255 59.718 -0.463 17613 7630 1 11 . 1 1 57 57 ILE CB C 57 38.951 38.951 41.202 -2.251 17613 7631 1 11 . 1 1 57 57 ILE H H 57 8.541 8.541 9.034 -0.493 17613 7632 1 11 . 1 1 58 58 SER N N 58 119.270 119.270 120.074 -0.804 17613 7633 1 11 . 1 1 58 58 SER HA H 58 5.007 5.007 5.308 -0.301 17613 7634 1 11 . 1 1 58 58 SER C C 58 174.211 174.211 174.373 -0.162 17613 7635 1 11 . 1 1 58 58 SER CA C 58 56.727 56.727 56.452 0.275 17613 7636 1 11 . 1 1 58 58 SER CB C 58 66.615 66.615 65.188 1.427 17613 7637 1 11 . 1 1 58 58 SER H H 58 8.810 8.810 8.329 0.481 17613 7638 1 11 . 1 1 59 59 ASN N N 59 122.382 122.382 125.641 -3.259 17613 7639 1 11 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.969 -0.258 17613 7640 1 11 . 1 1 59 59 ASN C C 59 174.795 174.795 174.855 -0.060 17613 7641 1 11 . 1 1 59 59 ASN CA C 59 52.507 52.507 54.275 -1.768 17613 7642 1 11 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.127 -0.165 17613 7643 1 11 . 1 1 59 59 ASN H H 59 8.794 8.794 8.369 0.425 17613 7644 1 11 . 1 1 60 60 ASP N N 60 119.744 119.744 119.212 0.532 17613 7645 1 11 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.753 0.110 17613 7646 1 11 . 1 1 60 60 ASP C C 60 176.015 176.015 176.387 -0.372 17613 7647 1 11 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.892 0.205 17613 7648 1 11 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.980 -0.031 17613 7649 1 11 . 1 1 60 60 ASP H H 60 7.857 7.857 7.364 0.493 17613 7650 1 11 . 1 1 61 61 LYS N N 61 125.818 125.818 125.127 0.691 17613 7651 1 11 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.034 -0.312 17613 7652 1 11 . 1 1 61 61 LYS C C 61 177.673 177.673 178.246 -0.573 17613 7653 1 11 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.529 0.103 17613 7654 1 11 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.192 -0.674 17613 7655 1 11 . 1 1 61 61 LYS H H 61 8.904 8.904 8.648 0.256 17613 7656 1 11 . 1 1 62 62 GLN N N 62 118.918 118.918 120.304 -1.386 17613 7657 1 11 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.184 -0.079 17613 7658 1 11 . 1 1 62 62 GLN C C 62 178.747 178.747 177.830 0.917 17613 7659 1 11 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.474 -0.173 17613 7660 1 11 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.053 -0.605 17613 7661 1 11 . 1 1 62 62 GLN H H 62 8.434 8.434 7.834 0.600 17613 7662 1 11 . 1 1 63 63 LEU N N 63 120.071 120.071 120.046 0.025 17613 7663 1 11 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.045 0.089 17613 7664 1 11 . 1 1 63 63 LEU C C 63 178.552 178.552 179.147 -0.595 17613 7665 1 11 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.536 -0.893 17613 7666 1 11 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.627 -0.733 17613 7667 1 11 . 1 1 63 63 LEU H H 63 7.671 7.671 8.123 -0.452 17613 7668 1 11 . 1 1 64 64 LEU N N 64 117.705 117.705 120.702 -2.997 17613 7669 1 11 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.922 -0.015 17613 7670 1 11 . 1 1 64 64 LEU C C 64 172.526 172.526 178.227 -5.701 17613 7671 1 11 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.526 -0.748 17613 7672 1 11 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.862 -0.512 17613 7673 1 11 . 1 1 64 64 LEU H H 64 7.626 7.626 7.918 -0.292 17613 7674 1 11 . 1 1 65 65 LYS N N 65 118.311 118.311 119.309 -0.998 17613 7675 1 11 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.840 -0.046 17613 7676 1 11 . 1 1 65 65 LYS C C 65 178.479 178.479 179.061 -0.582 17613 7677 1 11 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.190 0.036 17613 7678 1 11 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.230 0.036 17613 7679 1 11 . 1 1 65 65 LYS H H 65 8.038 8.038 7.838 0.200 17613 7680 1 11 . 1 1 66 66 GLU N N 66 119.362 119.362 118.723 0.639 17613 7681 1 11 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.003 0.023 17613 7682 1 11 . 1 1 66 66 GLU C C 66 178.893 178.893 178.935 -0.042 17613 7683 1 11 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.988 0.131 17613 7684 1 11 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.227 0.035 17613 7685 1 11 . 1 1 66 66 GLU H H 66 7.803 7.803 8.128 -0.325 17613 7686 1 11 . 1 1 67 67 MET N N 67 118.398 118.398 120.296 -1.898 17613 7687 1 11 . 1 1 67 67 MET HA H 67 3.948 3.948 4.069 -0.121 17613 7688 1 11 . 1 1 67 67 MET C C 67 177.527 177.527 178.295 -0.768 17613 7689 1 11 . 1 1 67 67 MET CA C 67 59.963 59.963 58.412 1.551 17613 7690 1 11 . 1 1 67 67 MET CB C 67 33.443 33.443 32.294 1.149 17613 7691 1 11 . 1 1 67 67 MET H H 67 8.394 8.394 7.821 0.573 17613 7692 1 11 . 1 1 68 68 LEU N N 68 118.269 118.269 118.261 0.008 17613 7693 1 11 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.717 0.062 17613 7694 1 11 . 1 1 68 68 LEU C C 68 178.869 178.869 179.200 -0.331 17613 7695 1 11 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.761 0.180 17613 7696 1 11 . 1 1 68 68 LEU CB C 68 40.875 40.875 40.939 -0.064 17613 7697 1 11 . 1 1 68 68 LEU H H 68 8.471 8.471 8.050 0.421 17613 7698 1 11 . 1 1 69 69 GLU N N 69 118.681 118.681 118.225 0.456 17613 7699 1 11 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.205 -0.150 17613 7700 1 11 . 1 1 69 69 GLU C C 69 179.063 179.063 178.974 0.089 17613 7701 1 11 . 1 1 69 69 GLU CA C 69 59.424 59.424 58.831 0.593 17613 7702 1 11 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.706 -0.566 17613 7703 1 11 . 1 1 69 69 GLU H H 69 7.627 7.627 7.944 -0.317 17613 7704 1 11 . 1 1 70 70 LEU N N 70 119.503 119.503 119.467 0.036 17613 7705 1 11 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.165 -0.004 17613 7706 1 11 . 1 1 70 70 LEU C C 70 179.699 179.699 178.810 0.889 17613 7707 1 11 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.219 0.555 17613 7708 1 11 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.442 -0.498 17613 7709 1 11 . 1 1 70 70 LEU H H 70 7.717 7.717 7.953 -0.236 17613 7710 1 11 . 1 1 71 71 ILE N N 71 116.791 116.791 119.828 -3.037 17613 7711 1 11 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.715 0.022 17613 7712 1 11 . 1 1 71 71 ILE C C 71 178.357 178.357 178.025 0.332 17613 7713 1 11 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.109 -0.867 17613 7714 1 11 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.745 0.156 17613 7715 1 11 . 1 1 71 71 ILE H H 71 8.598 8.598 8.251 0.347 17613 7716 1 11 . 1 1 72 72 SER N N 72 116.517 116.517 115.593 0.924 17613 7717 1 11 . 1 1 72 72 SER HA H 72 4.365 4.365 4.173 0.192 17613 7718 1 11 . 1 1 72 72 SER C C 72 176.845 176.845 175.795 1.050 17613 7719 1 11 . 1 1 72 72 SER CA C 72 61.365 61.365 61.299 0.066 17613 7720 1 11 . 1 1 72 72 SER CB C 72 62.780 62.780 63.151 -0.371 17613 7721 1 11 . 1 1 72 72 SER H H 72 8.023 8.023 8.083 -0.060 17613 7722 1 11 . 1 1 73 73 LYS N N 73 120.731 120.731 119.604 1.127 17613 7723 1 11 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.114 0.177 17613 7724 1 11 . 1 1 73 73 LYS C C 73 177.771 177.771 177.189 0.582 17613 7725 1 11 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.240 -0.764 17613 7726 1 11 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.420 -0.274 17613 7727 1 11 . 1 1 73 73 LYS H H 73 7.723 7.723 7.521 0.202 17613 7728 1 11 . 1 1 74 74 LEU N N 74 117.572 117.572 117.190 0.382 17613 7729 1 11 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.187 0.040 17613 7730 1 11 . 1 1 74 74 LEU C C 74 177.332 177.332 177.191 0.141 17613 7731 1 11 . 1 1 74 74 LEU CA C 74 55.199 55.199 54.746 0.453 17613 7732 1 11 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.608 -1.122 17613 7733 1 11 . 1 1 74 74 LEU H H 74 7.609 7.609 7.039 0.570 17613 7734 1 11 . 1 1 75 75 GLY N N 75 105.991 105.991 106.741 -0.750 17613 7735 1 11 . 1 1 75 75 GLY C C 75 174.771 174.771 173.978 0.793 17613 7736 1 11 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.089 0.753 17613 7737 1 11 . 1 1 75 75 GLY H H 75 7.925 7.925 7.812 0.113 17613 7738 1 11 . 1 1 76 76 TYR N N 76 118.452 118.452 119.140 -0.688 17613 7739 1 11 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.655 0.123 17613 7740 1 11 . 1 1 76 76 TYR C C 76 175.234 175.234 175.238 -0.004 17613 7741 1 11 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.175 -0.671 17613 7742 1 11 . 1 1 76 76 TYR CB C 76 37.962 37.962 40.917 -2.955 17613 7743 1 11 . 1 1 76 76 TYR H H 76 7.366 7.366 7.449 -0.083 17613 7744 1 11 . 1 1 77 77 LYS N N 77 122.866 122.866 124.556 -1.690 17613 7745 1 11 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.400 0.148 17613 7746 1 11 . 1 1 77 77 LYS C C 77 174.138 174.138 175.479 -1.341 17613 7747 1 11 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.576 -0.506 17613 7748 1 11 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.107 0.110 17613 7749 1 11 . 1 1 77 77 LYS H H 77 8.290 8.290 8.838 -0.548 17613 7750 1 11 . 1 1 78 78 VAL N N 78 124.071 124.071 126.631 -2.560 17613 7751 1 11 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.885 0.281 17613 7752 1 11 . 1 1 78 78 VAL C C 78 174.162 174.162 175.044 -0.882 17613 7753 1 11 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.144 -0.915 17613 7754 1 11 . 1 1 78 78 VAL CB C 78 34.355 34.355 32.831 1.524 17613 7755 1 11 . 1 1 78 78 VAL H H 78 7.830 7.830 8.256 -0.426 17613 7756 1 11 . 1 1 79 79 PHE N N 79 126.174 126.174 124.904 1.270 17613 7757 1 11 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.612 -0.045 17613 7758 1 11 . 1 1 79 79 PHE C C 79 173.357 173.357 174.297 -0.940 17613 7759 1 11 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.478 -0.525 17613 7760 1 11 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.167 0.017 17613 7761 1 11 . 1 1 79 79 PHE H H 79 8.374 8.374 8.401 -0.027 17613 7762 1 11 . 1 1 80 80 LEU N N 80 123.959 123.959 126.169 -2.210 17613 7763 1 11 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.206 0.340 17613 7764 1 11 . 1 1 80 80 LEU C C 80 173.503 173.503 174.542 -1.039 17613 7765 1 11 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.071 0.927 17613 7766 1 11 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.089 0.578 17613 7767 1 11 . 1 1 80 80 LEU H H 80 8.601 8.601 8.810 -0.209 17613 7768 1 11 . 1 1 81 81 LEU N N 81 126.694 126.694 128.855 -2.161 17613 7769 1 11 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.079 0.190 17613 7770 1 11 . 1 1 81 81 LEU C C 81 173.649 173.649 174.415 -0.766 17613 7771 1 11 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.436 -0.372 17613 7772 1 11 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.670 1.107 17613 7773 1 11 . 1 1 81 81 LEU H H 81 9.063 9.063 8.926 0.137 17613 7774 1 11 . 1 1 82 82 LEU N N 82 124.888 124.888 128.392 -3.504 17613 7775 1 11 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.631 0.280 17613 7776 1 11 . 1 1 82 82 LEU C C 82 174.479 174.479 174.914 -0.435 17613 7777 1 11 . 1 1 82 82 LEU CA C 82 53.135 53.135 54.157 -1.022 17613 7778 1 11 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.408 1.814 17613 7779 1 11 . 1 1 82 82 LEU H H 82 8.864 8.864 9.054 -0.190 17613 7780 1 11 . 1 1 83 83 GLN N N 83 122.153 122.153 125.452 -3.299 17613 7781 1 11 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.175 0.085 17613 7782 1 11 . 1 1 83 83 GLN C C 83 174.333 174.333 174.641 -0.308 17613 7783 1 11 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.546 0.040 17613 7784 1 11 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.042 -1.172 17613 7785 1 11 . 1 1 83 83 GLN H H 83 8.437 8.437 8.503 -0.066 17613 7786 1 11 . 1 1 84 84 ASP N N 84 124.451 124.451 126.142 -1.691 17613 7787 1 11 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.887 -0.385 17613 7788 1 11 . 1 1 84 84 ASP C C 84 174.308 174.308 175.400 -1.092 17613 7789 1 11 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.995 0.021 17613 7790 1 11 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.078 -0.307 17613 7791 1 11 . 1 1 84 84 ASP H H 84 8.205 8.205 8.402 -0.197 17613 7792 1 11 . 1 1 85 85 GLN N N 85 120.202 120.202 121.668 -1.466 17613 7793 1 11 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.202 0.132 17613 7794 1 11 . 1 1 85 85 GLN C C 85 175.431 175.431 176.083 -0.652 17613 7795 1 11 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.774 -0.179 17613 7796 1 11 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.277 0.057 17613 7797 1 11 . 1 1 85 85 GLN H H 85 8.617 8.617 8.569 0.048 17613 7798 1 11 . 1 1 86 86 ASP N N 86 120.508 120.508 121.721 -1.213 17613 7799 1 11 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.810 -0.125 17613 7800 1 11 . 1 1 86 86 ASP C C 86 175.747 175.747 175.900 -0.153 17613 7801 1 11 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.797 -0.285 17613 7802 1 11 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.850 0.107 17613 7803 1 11 . 1 1 86 86 ASP H H 86 8.691 8.691 7.814 0.877 17613 7804 1 11 . 1 1 87 87 GLU N N 87 123.604 123.604 123.204 0.400 17613 7805 1 11 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.008 0.027 17613 7806 1 11 . 1 1 87 87 GLU C C 87 177.771 177.771 177.737 0.034 17613 7807 1 11 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.291 -0.769 17613 7808 1 11 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.633 -0.058 17613 7809 1 11 . 1 1 87 87 GLU H H 87 8.642 8.642 8.670 -0.028 17613 7810 1 11 . 1 1 88 88 ASN N N 88 118.838 118.838 118.600 0.238 17613 7811 1 11 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.527 0.034 17613 7812 1 11 . 1 1 88 88 ASN C C 88 177.089 177.089 177.596 -0.507 17613 7813 1 11 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.140 -0.498 17613 7814 1 11 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.540 0.626 17613 7815 1 11 . 1 1 88 88 ASN H H 88 8.527 8.527 8.537 -0.010 17613 7816 1 11 . 1 1 89 89 GLU N N 89 120.947 120.947 120.841 0.106 17613 7817 1 11 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.114 0.033 17613 7818 1 11 . 1 1 89 89 GLU C C 89 178.357 178.357 179.075 -0.718 17613 7819 1 11 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.396 -0.145 17613 7820 1 11 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.287 -0.043 17613 7821 1 11 . 1 1 89 89 GLU H H 89 8.221 8.221 7.743 0.478 17613 7822 1 11 . 1 1 90 90 LEU N N 90 119.582 119.582 120.505 -0.923 17613 7823 1 11 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.106 0.099 17613 7824 1 11 . 1 1 90 90 LEU C C 90 177.917 177.917 178.644 -0.727 17613 7825 1 11 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.178 -1.234 17613 7826 1 11 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.756 0.700 17613 7827 1 11 . 1 1 90 90 LEU H H 90 8.047 8.047 8.339 -0.292 17613 7828 1 11 . 1 1 91 91 GLU N N 91 119.029 119.029 118.978 0.051 17613 7829 1 11 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.023 0.050 17613 7830 1 11 . 1 1 91 91 GLU C C 91 178.284 178.284 178.766 -0.482 17613 7831 1 11 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.398 -0.269 17613 7832 1 11 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.247 -0.277 17613 7833 1 11 . 1 1 91 91 GLU H H 91 7.940 7.940 7.901 0.039 17613 7834 1 11 . 1 1 92 92 GLU N N 92 118.667 118.667 119.949 -1.282 17613 7835 1 11 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.033 -0.001 17613 7836 1 11 . 1 1 92 92 GLU C C 92 178.103 178.103 179.322 -1.219 17613 7837 1 11 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.201 0.051 17613 7838 1 11 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.593 -0.661 17613 7839 1 11 . 1 1 92 92 GLU H H 92 8.088 8.088 7.776 0.312 17613 7840 1 11 . 1 1 93 93 PHE N N 93 120.118 120.118 119.950 0.168 17613 7841 1 11 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.243 0.097 17613 7842 1 11 . 1 1 93 93 PHE C C 93 176.894 176.894 177.180 -0.286 17613 7843 1 11 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.291 0.154 17613 7844 1 11 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.290 -0.303 17613 7845 1 11 . 1 1 93 93 PHE H H 93 8.103 8.103 8.321 -0.218 17613 7846 1 11 . 1 1 94 94 LYS N N 94 118.941 118.941 120.493 -1.552 17613 7847 1 11 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.832 -0.215 17613 7848 1 11 . 1 1 94 94 LYS C C 94 177.600 177.600 178.723 -1.123 17613 7849 1 11 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.480 0.596 17613 7850 1 11 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.474 -0.009 17613 7851 1 11 . 1 1 94 94 LYS H H 94 8.606 8.606 7.925 0.681 17613 7852 1 11 . 1 1 95 95 ARG N N 95 117.194 117.194 116.609 0.585 17613 7853 1 11 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.054 0.096 17613 7854 1 11 . 1 1 95 95 ARG C C 95 179.404 179.404 178.871 0.533 17613 7855 1 11 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.160 -0.057 17613 7856 1 11 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.653 0.166 17613 7857 1 11 . 1 1 95 95 ARG H H 95 8.159 8.159 8.112 0.047 17613 7858 1 11 . 1 1 96 96 LYS N N 96 119.582 119.582 120.801 -1.219 17613 7859 1 11 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.107 -0.042 17613 7860 1 11 . 1 1 96 96 LYS C C 96 179.034 179.034 179.148 -0.114 17613 7861 1 11 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.007 -0.073 17613 7862 1 11 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.051 0.018 17613 7863 1 11 . 1 1 96 96 LYS H H 96 7.786 7.786 7.619 0.167 17613 7864 1 11 . 1 1 97 97 ILE N N 97 118.550 118.550 119.393 -0.843 17613 7865 1 11 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.023 -0.085 17613 7866 1 11 . 1 1 97 97 ILE C C 97 178.284 178.284 178.032 0.252 17613 7867 1 11 . 1 1 97 97 ILE CA C 97 62.569 62.569 64.194 -1.625 17613 7868 1 11 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.824 -0.618 17613 7869 1 11 . 1 1 97 97 ILE H H 97 7.831 7.831 7.397 0.434 17613 7870 1 11 . 1 1 98 98 GLU N N 98 121.984 121.984 120.679 1.305 17613 7871 1 11 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.313 0.023 17613 7872 1 11 . 1 1 98 98 GLU C C 98 180.040 180.040 179.641 0.399 17613 7873 1 11 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.919 0.031 17613 7874 1 11 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.150 0.285 17613 7875 1 11 . 1 1 98 98 GLU H H 98 8.670 8.670 8.133 0.537 17613 7876 1 11 . 1 1 99 99 SER N N 99 115.499 115.499 114.848 0.651 17613 7877 1 11 . 1 1 99 99 SER HA H 99 4.343 4.343 4.305 0.038 17613 7878 1 11 . 1 1 99 99 SER C C 99 174.820 174.820 176.131 -1.311 17613 7879 1 11 . 1 1 99 99 SER CA C 99 60.410 60.410 60.780 -0.370 17613 7880 1 11 . 1 1 99 99 SER CB C 99 62.680 62.680 63.035 -0.355 17613 7881 1 11 . 1 1 99 99 SER H H 99 8.099 8.099 7.659 0.440 17613 7882 1 11 . 1 1 100 100 GLN N N 100 119.301 119.301 119.034 0.267 17613 7883 1 11 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.309 0.001 17613 7884 1 11 . 1 1 100 100 GLN C C 100 175.857 175.857 175.377 0.480 17613 7885 1 11 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.968 -0.042 17613 7886 1 11 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.342 -0.130 17613 7887 1 11 . 1 1 100 100 GLN H H 100 7.623 7.623 7.397 0.226 17613 7888 1 11 . 1 1 101 101 GLY N N 101 105.765 105.765 106.114 -0.349 17613 7889 1 11 . 1 1 101 101 GLY C C 101 173.748 173.748 173.718 0.030 17613 7890 1 11 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.809 0.394 17613 7891 1 11 . 1 1 101 101 GLY H H 101 7.945 7.945 7.501 0.444 17613 7892 1 11 . 1 1 102 102 TYR N N 102 117.993 117.993 117.920 0.073 17613 7893 1 11 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.562 0.110 17613 7894 1 11 . 1 1 102 102 TYR C C 102 174.747 174.747 174.393 0.354 17613 7895 1 11 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.579 -0.325 17613 7896 1 11 . 1 1 102 102 TYR CB C 102 39.048 39.048 41.341 -2.293 17613 7897 1 11 . 1 1 102 102 TYR H H 102 6.890 6.890 7.344 -0.454 17613 7898 1 11 . 1 1 103 103 GLU N N 103 122.864 122.864 123.811 -0.947 17613 7899 1 11 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.480 0.027 17613 7900 1 11 . 1 1 103 103 GLU C C 103 174.162 174.162 174.885 -0.723 17613 7901 1 11 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.060 0.324 17613 7902 1 11 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.725 0.646 17613 7903 1 11 . 1 1 103 103 GLU H H 103 8.318 8.318 8.879 -0.561 17613 7904 1 11 . 1 1 104 104 VAL N N 104 124.342 124.342 126.398 -2.056 17613 7905 1 11 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.714 0.514 17613 7906 1 11 . 1 1 104 104 VAL C C 104 174.235 174.235 175.344 -1.109 17613 7907 1 11 . 1 1 104 104 VAL CA C 104 59.280 59.280 60.888 -1.608 17613 7908 1 11 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.313 0.854 17613 7909 1 11 . 1 1 104 104 VAL H H 104 8.651 8.651 7.968 0.683 17613 7910 1 11 . 1 1 105 105 ARG N N 105 124.856 124.856 126.475 -1.619 17613 7911 1 11 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.795 0.120 17613 7912 1 11 . 1 1 105 105 ARG C C 105 173.917 173.917 174.346 -0.429 17613 7913 1 11 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.852 -1.387 17613 7914 1 11 . 1 1 105 105 ARG CB C 105 32.955 32.955 34.511 -1.556 17613 7915 1 11 . 1 1 105 105 ARG H H 105 8.705 8.705 8.862 -0.157 17613 7916 1 11 . 1 1 106 106 LYS N N 106 121.499 121.499 124.446 -2.947 17613 7917 1 11 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.360 0.218 17613 7918 1 11 . 1 1 106 106 LYS C C 106 174.820 174.820 176.010 -1.190 17613 7919 1 11 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.387 -1.519 17613 7920 1 11 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.194 1.105 17613 7921 1 11 . 1 1 106 106 LYS H H 106 8.807 8.807 8.572 0.235 17613 7922 1 11 . 1 1 107 107 VAL N N 107 118.792 118.792 120.338 -1.546 17613 7923 1 11 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.503 0.112 17613 7924 1 11 . 1 1 107 107 VAL C C 107 173.332 173.332 173.953 -0.621 17613 7925 1 11 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.742 -0.520 17613 7926 1 11 . 1 1 107 107 VAL CB C 107 35.234 35.234 34.794 0.440 17613 7927 1 11 . 1 1 107 107 VAL H H 107 8.555 8.555 8.318 0.237 17613 7928 1 11 . 1 1 108 108 THR N N 108 114.072 114.072 116.041 -1.969 17613 7929 1 11 . 1 1 108 108 THR HA H 108 4.781 4.781 4.464 0.317 17613 7930 1 11 . 1 1 108 108 THR C C 108 174.625 174.625 174.217 0.408 17613 7931 1 11 . 1 1 108 108 THR CA C 108 62.221 62.221 62.078 0.143 17613 7932 1 11 . 1 1 108 108 THR CB C 108 69.975 69.975 69.771 0.204 17613 7933 1 11 . 1 1 108 108 THR H H 108 8.604 8.604 8.624 -0.020 17613 7934 1 11 . 1 1 109 109 ASP N N 109 122.574 122.574 123.540 -0.966 17613 7935 1 11 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.700 0.038 17613 7936 1 11 . 1 1 109 109 ASP C C 109 175.796 175.796 176.871 -1.075 17613 7937 1 11 . 1 1 109 109 ASP CA C 109 53.849 53.849 55.349 -1.500 17613 7938 1 11 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.312 1.376 17613 7939 1 11 . 1 1 109 109 ASP H H 109 8.036 8.036 8.027 0.009 17613 7940 1 11 . 1 1 110 110 ASP N N 110 122.852 122.852 123.575 -0.723 17613 7941 1 11 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.357 -0.262 17613 7942 1 11 . 1 1 110 110 ASP C C 110 177.527 177.527 177.546 -0.019 17613 7943 1 11 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.384 0.004 17613 7944 1 11 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.677 -0.376 17613 7945 1 11 . 1 1 110 110 ASP H H 110 8.696 8.696 8.842 -0.146 17613 7946 1 11 . 1 1 111 111 GLU N N 111 119.144 119.144 119.531 -0.387 17613 7947 1 11 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.056 -0.068 17613 7948 1 11 . 1 1 111 111 GLU C C 111 179.942 179.942 178.865 1.077 17613 7949 1 11 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.022 0.335 17613 7950 1 11 . 1 1 111 111 GLU CB C 111 28.496 28.496 28.762 -0.267 17613 7951 1 11 . 1 1 111 111 GLU H H 111 8.213 8.213 8.612 -0.399 17613 7952 1 11 . 1 1 112 112 GLU N N 112 121.400 121.400 119.262 2.138 17613 7953 1 11 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.173 -0.176 17613 7954 1 11 . 1 1 112 112 GLU C C 112 178.430 178.430 178.063 0.367 17613 7955 1 11 . 1 1 112 112 GLU CA C 112 58.749 58.749 57.680 1.069 17613 7956 1 11 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.416 -0.223 17613 7957 1 11 . 1 1 112 112 GLU H H 112 8.234 8.234 8.487 -0.253 17613 7958 1 11 . 1 1 113 113 ALA N N 113 120.316 120.316 122.927 -2.611 17613 7959 1 11 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.047 -0.247 17613 7960 1 11 . 1 1 113 113 ALA C C 113 178.430 178.430 179.800 -1.370 17613 7961 1 11 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.204 0.178 17613 7962 1 11 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.076 0.526 17613 7963 1 11 . 1 1 113 113 ALA H H 113 8.118 8.118 7.758 0.360 17613 7964 1 11 . 1 1 114 114 LEU N N 114 116.901 116.901 116.729 0.172 17613 7965 1 11 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.896 -0.183 17613 7966 1 11 . 1 1 114 114 LEU C C 114 178.431 178.431 179.017 -0.586 17613 7967 1 11 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.440 0.235 17613 7968 1 11 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.413 -0.477 17613 7969 1 11 . 1 1 114 114 LEU H H 114 7.743 7.743 7.562 0.181 17613 7970 1 11 . 1 1 115 115 LYS N N 115 119.066 119.066 117.522 1.544 17613 7971 1 11 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.098 -0.298 17613 7972 1 11 . 1 1 115 115 LYS C C 115 179.404 179.404 179.108 0.296 17613 7973 1 11 . 1 1 115 115 LYS CA C 115 59.883 59.883 57.854 2.029 17613 7974 1 11 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.681 0.497 17613 7975 1 11 . 1 1 115 115 LYS H H 115 7.617 7.617 7.320 0.297 17613 7976 1 11 . 1 1 116 116 ILE N N 116 120.613 120.613 119.461 1.152 17613 7977 1 11 . 1 1 116 116 ILE HA H 116 3.460 3.460 4.026 -0.566 17613 7978 1 11 . 1 1 116 116 ILE C C 116 177.016 177.016 177.824 -0.808 17613 7979 1 11 . 1 1 116 116 ILE CA C 116 64.122 64.122 61.426 2.696 17613 7980 1 11 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.806 -0.483 17613 7981 1 11 . 1 1 116 116 ILE H H 116 8.004 8.004 7.927 0.077 17613 7982 1 11 . 1 1 117 117 VAL N N 117 120.234 120.234 120.751 -0.517 17613 7983 1 11 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.692 -0.432 17613 7984 1 11 . 1 1 117 117 VAL C C 117 177.746 177.746 177.599 0.147 17613 7985 1 11 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.175 0.330 17613 7986 1 11 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.146 -0.393 17613 7987 1 11 . 1 1 117 117 VAL H H 117 8.121 8.121 7.859 0.262 17613 7988 1 11 . 1 1 118 118 ARG N N 118 118.415 118.415 118.333 0.082 17613 7989 1 11 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.940 -0.047 17613 7990 1 11 . 1 1 118 118 ARG C C 118 178.966 178.966 178.221 0.745 17613 7991 1 11 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.119 1.050 17613 7992 1 11 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.387 0.315 17613 7993 1 11 . 1 1 118 118 ARG H H 118 8.026 8.026 7.686 0.340 17613 7994 1 11 . 1 1 119 119 GLU N N 119 122.419 122.419 120.801 1.618 17613 7995 1 11 . 1 1 119 119 GLU HA H 119 4.027 4.027 3.930 0.097 17613 7996 1 11 . 1 1 119 119 GLU C C 119 179.429 179.429 178.604 0.825 17613 7997 1 11 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.128 0.402 17613 7998 1 11 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.250 -0.289 17613 7999 1 11 . 1 1 119 119 GLU H H 119 7.918 7.918 7.441 0.477 17613 8000 1 11 . 1 1 120 120 PHE N N 120 119.597 119.597 118.604 0.993 17613 8001 1 11 . 1 1 120 120 PHE HA H 120 4.022 4.022 4.030 -0.008 17613 8002 1 11 . 1 1 120 120 PHE C C 120 177.698 177.698 178.130 -0.432 17613 8003 1 11 . 1 1 120 120 PHE CA C 120 56.868 56.868 61.246 -4.378 17613 8004 1 11 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.366 -1.613 17613 8005 1 11 . 1 1 120 120 PHE H H 120 8.826 8.826 7.514 1.312 17613 8006 1 11 . 1 1 121 121 MET N N 121 116.596 116.596 116.875 -0.279 17613 8007 1 11 . 1 1 121 121 MET HA H 121 3.931 3.931 3.945 -0.014 17613 8008 1 11 . 1 1 121 121 MET C C 121 179.577 179.577 178.860 0.717 17613 8009 1 11 . 1 1 121 121 MET CA C 121 59.785 59.785 58.565 1.220 17613 8010 1 11 . 1 1 121 121 MET CB C 121 33.643 33.643 31.968 1.675 17613 8011 1 11 . 1 1 121 121 MET H H 121 8.317 8.317 8.115 0.202 17613 8012 1 11 . 1 1 122 122 GLN N N 122 120.565 120.565 119.910 0.655 17613 8013 1 11 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.023 0.112 17613 8014 1 11 . 1 1 122 122 GLN C C 122 178.893 178.893 177.964 0.929 17613 8015 1 11 . 1 1 122 122 GLN CA C 122 58.745 58.745 58.715 0.030 17613 8016 1 11 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.704 -0.684 17613 8017 1 11 . 1 1 122 122 GLN H H 122 8.054 8.054 7.759 0.295 17613 8018 1 11 . 1 1 123 123 LYS N N 123 121.605 121.605 119.458 2.147 17613 8019 1 11 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.074 -0.049 17613 8020 1 11 . 1 1 123 123 LYS C C 123 179.307 179.307 179.324 -0.017 17613 8021 1 11 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.811 0.432 17613 8022 1 11 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.478 -0.172 17613 8023 1 11 . 1 1 123 123 LYS H H 123 8.400 8.400 8.102 0.298 17613 8024 1 11 . 1 1 124 124 ALA N N 124 121.873 121.873 121.857 0.016 17613 8025 1 11 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.139 0.005 17613 8026 1 11 . 1 1 124 124 ALA C C 124 179.112 179.112 179.414 -0.302 17613 8027 1 11 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.821 -0.169 17613 8028 1 11 . 1 1 124 124 ALA CB C 124 18.934 18.934 17.844 1.090 17613 8029 1 11 . 1 1 124 124 ALA H H 124 8.601 8.601 7.977 0.624 17613 8030 1 11 . 1 1 125 125 GLY N N 125 104.755 104.755 104.834 -0.079 17613 8031 1 11 . 1 1 125 125 GLY C C 125 175.553 175.553 176.114 -0.561 17613 8032 1 11 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.023 -0.732 17613 8033 1 11 . 1 1 125 125 GLY H H 125 7.949 7.949 8.245 -0.296 17613 8034 1 11 . 1 1 126 126 SER N N 126 116.080 116.080 116.087 -0.007 17613 8035 1 11 . 1 1 126 126 SER HA H 126 4.447 4.447 4.189 0.258 17613 8036 1 11 . 1 1 126 126 SER C C 126 175.504 175.504 176.320 -0.816 17613 8037 1 11 . 1 1 126 126 SER CA C 126 59.965 59.965 60.658 -0.694 17613 8038 1 11 . 1 1 126 126 SER CB C 126 63.460 63.460 63.291 0.169 17613 8039 1 11 . 1 1 126 126 SER H H 126 7.861 7.861 7.593 0.268 17613 8040 1 11 . 1 1 127 127 LEU N N 127 122.372 122.372 120.540 1.832 17613 8041 1 11 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.012 0.270 17613 8042 1 11 . 1 1 127 127 LEU C C 127 177.990 177.990 178.074 -0.084 17613 8043 1 11 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.975 -0.758 17613 8044 1 11 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.205 -0.132 17613 8045 1 11 . 1 1 127 127 LEU H H 127 7.882 7.882 7.341 0.541 17613 8046 1 11 . 1 1 128 128 GLU N N 128 119.775 119.775 114.947 4.828 17613 8047 1 11 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.229 -0.321 17613 8048 1 11 . 1 1 128 128 GLU CA C 128 57.611 57.611 57.525 0.086 17613 8049 1 11 . 1 1 128 128 GLU CB C 128 29.830 29.830 30.116 -0.286 17613 8050 1 11 . 1 1 128 128 GLU H H 128 8.084 8.084 7.909 0.175 17613 8051 1 11 . 1 1 131 131 HIS N N 131 125.272 125.272 126.917 -1.645 17613 8052 1 11 . 1 1 131 131 HIS H H 131 8.059 8.059 8.558 -0.499 17613 8053 1 12 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.243 0.583 17613 8054 1 12 . 1 1 3 3 ILE C C 3 173.405 173.405 175.179 -1.774 17613 8055 1 12 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.519 -0.963 17613 8056 1 12 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.967 0.541 17613 8057 1 12 . 1 1 3 3 ILE H H 3 8.444 8.444 8.353 0.091 17613 8058 1 12 . 1 1 4 4 LEU N N 4 127.785 127.785 127.405 0.380 17613 8059 1 12 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.357 0.102 17613 8060 1 12 . 1 1 4 4 LEU C C 4 174.832 174.832 176.445 -1.613 17613 8061 1 12 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.321 0.020 17613 8062 1 12 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.449 1.864 17613 8063 1 12 . 1 1 4 4 LEU H H 4 9.081 9.081 8.591 0.490 17613 8064 1 12 . 1 1 5 5 ILE N N 5 123.010 123.010 124.688 -1.678 17613 8065 1 12 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.641 0.192 17613 8066 1 12 . 1 1 5 5 ILE C C 5 173.357 173.357 174.988 -1.631 17613 8067 1 12 . 1 1 5 5 ILE CA C 5 60.544 60.544 58.997 1.547 17613 8068 1 12 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.553 2.979 17613 8069 1 12 . 1 1 5 5 ILE H H 5 8.765 8.765 8.491 0.274 17613 8070 1 12 . 1 1 6 6 LEU N N 6 129.320 129.320 130.260 -0.940 17613 8071 1 12 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.060 0.286 17613 8072 1 12 . 1 1 6 6 LEU C C 6 174.795 174.795 175.163 -0.368 17613 8073 1 12 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.521 -0.521 17613 8074 1 12 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.458 1.070 17613 8075 1 12 . 1 1 6 6 LEU H H 6 9.235 9.235 8.401 0.834 17613 8076 1 12 . 1 1 7 7 ILE N N 7 120.746 120.746 125.122 -4.376 17613 8077 1 12 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.840 0.341 17613 8078 1 12 . 1 1 7 7 ILE C C 7 173.819 173.819 173.845 -0.026 17613 8079 1 12 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.260 -2.045 17613 8080 1 12 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.994 -1.840 17613 8081 1 12 . 1 1 7 7 ILE H H 7 8.931 8.931 9.074 -0.143 17613 8082 1 12 . 1 1 8 8 ASN N N 8 125.539 125.539 125.127 0.412 17613 8083 1 12 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.852 0.050 17613 8084 1 12 . 1 1 8 8 ASN C C 8 176.478 176.478 173.845 2.633 17613 8085 1 12 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.078 -0.974 17613 8086 1 12 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.683 0.899 17613 8087 1 12 . 1 1 8 8 ASN H H 8 8.634 8.634 9.032 -0.398 17613 8088 1 12 . 1 1 9 9 THR N N 9 118.493 118.493 119.569 -1.076 17613 8089 1 12 . 1 1 9 9 THR HA H 9 4.739 4.739 4.949 -0.210 17613 8090 1 12 . 1 1 9 9 THR C C 9 170.114 170.114 174.493 -4.379 17613 8091 1 12 . 1 1 9 9 THR CA C 9 60.689 60.689 59.565 1.124 17613 8092 1 12 . 1 1 9 9 THR CB C 9 67.766 67.766 71.823 -4.057 17613 8093 1 12 . 1 1 9 9 THR H H 9 8.044 8.044 7.975 0.069 17613 8094 1 12 . 1 1 10 10 ASN N N 10 123.266 123.266 123.666 -0.400 17613 8095 1 12 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.611 0.356 17613 8096 1 12 . 1 1 10 10 ASN C C 10 174.601 174.601 175.047 -0.446 17613 8097 1 12 . 1 1 10 10 ASN CA C 10 51.844 51.844 55.376 -3.532 17613 8098 1 12 . 1 1 10 10 ASN CB C 10 39.316 39.316 38.907 0.409 17613 8099 1 12 . 1 1 10 10 ASN H H 10 8.440 8.440 8.737 -0.297 17613 8100 1 12 . 1 1 11 11 ASN N N 11 120.920 120.920 118.582 2.338 17613 8101 1 12 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.971 -0.278 17613 8102 1 12 . 1 1 11 11 ASN C C 11 174.333 174.333 174.707 -0.374 17613 8103 1 12 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.371 0.065 17613 8104 1 12 . 1 1 11 11 ASN CB C 11 38.349 38.349 40.313 -1.964 17613 8105 1 12 . 1 1 11 11 ASN H H 11 8.366 8.366 7.597 0.769 17613 8106 1 12 . 1 1 12 12 ASP N N 12 126.315 126.315 123.359 2.956 17613 8107 1 12 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.353 -0.080 17613 8108 1 12 . 1 1 12 12 ASP C C 12 178.089 178.089 177.483 0.606 17613 8109 1 12 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.852 -0.244 17613 8110 1 12 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.639 0.522 17613 8111 1 12 . 1 1 12 12 ASP H H 12 8.586 8.586 8.977 -0.391 17613 8112 1 12 . 1 1 13 13 GLU N N 13 119.325 119.325 120.377 -1.052 17613 8113 1 12 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.154 -0.128 17613 8114 1 12 . 1 1 13 13 GLU C C 13 178.893 178.893 178.587 0.306 17613 8115 1 12 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.221 -0.215 17613 8116 1 12 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.108 -0.400 17613 8117 1 12 . 1 1 13 13 GLU H H 13 8.289 8.289 8.842 -0.553 17613 8118 1 12 . 1 1 14 14 LEU N N 14 121.683 121.683 119.096 2.587 17613 8119 1 12 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.218 -0.233 17613 8120 1 12 . 1 1 14 14 LEU C C 14 178.309 178.309 179.477 -1.168 17613 8121 1 12 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.570 0.691 17613 8122 1 12 . 1 1 14 14 LEU CB C 14 40.105 40.105 41.054 -0.950 17613 8123 1 12 . 1 1 14 14 LEU H H 14 7.577 7.577 7.341 0.236 17613 8124 1 12 . 1 1 15 15 ILE N N 15 119.483 119.483 120.486 -1.003 17613 8125 1 12 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.517 -0.298 17613 8126 1 12 . 1 1 15 15 ILE C C 15 177.138 177.138 177.536 -0.398 17613 8127 1 12 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.887 0.703 17613 8128 1 12 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.596 -0.172 17613 8129 1 12 . 1 1 15 15 ILE H H 15 8.238 8.238 7.758 0.480 17613 8130 1 12 . 1 1 16 16 LYS N N 16 117.596 117.596 118.736 -1.140 17613 8131 1 12 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.988 -0.145 17613 8132 1 12 . 1 1 16 16 LYS C C 16 179.577 179.577 179.114 0.463 17613 8133 1 12 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.425 0.744 17613 8134 1 12 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.995 0.169 17613 8135 1 12 . 1 1 16 16 LYS H H 16 7.604 7.604 8.023 -0.419 17613 8136 1 12 . 1 1 17 17 LYS N N 17 118.832 118.832 119.576 -0.744 17613 8137 1 12 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.103 -0.111 17613 8138 1 12 . 1 1 17 17 LYS C C 17 179.380 179.380 178.909 0.471 17613 8139 1 12 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.363 0.477 17613 8140 1 12 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.528 0.537 17613 8141 1 12 . 1 1 17 17 LYS H H 17 7.583 7.583 7.592 -0.009 17613 8142 1 12 . 1 1 18 18 ILE N N 18 120.961 120.961 120.388 0.573 17613 8143 1 12 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.632 -0.260 17613 8144 1 12 . 1 1 18 18 ILE C C 18 176.967 176.967 177.846 -0.879 17613 8145 1 12 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.046 0.428 17613 8146 1 12 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.679 -0.123 17613 8147 1 12 . 1 1 18 18 ILE H H 18 8.785 8.785 7.780 1.005 17613 8148 1 12 . 1 1 19 19 LYS N N 19 118.324 118.324 119.175 -0.851 17613 8149 1 12 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.919 -0.239 17613 8150 1 12 . 1 1 19 19 LYS C C 19 177.746 177.746 178.921 -1.175 17613 8151 1 12 . 1 1 19 19 LYS CA C 19 60.853 60.853 60.051 0.802 17613 8152 1 12 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.111 0.215 17613 8153 1 12 . 1 1 19 19 LYS H H 19 8.532 8.532 8.009 0.523 17613 8154 1 12 . 1 1 20 20 LYS N N 20 116.284 116.284 118.938 -2.654 17613 8155 1 12 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.090 -0.003 17613 8156 1 12 . 1 1 20 20 LYS C C 20 178.406 178.406 179.022 -0.616 17613 8157 1 12 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.707 -0.168 17613 8158 1 12 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.725 0.256 17613 8159 1 12 . 1 1 20 20 LYS H H 20 7.303 7.303 7.404 -0.101 17613 8160 1 12 . 1 1 21 21 GLU N N 21 118.488 118.488 118.889 -0.401 17613 8161 1 12 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.021 -0.058 17613 8162 1 12 . 1 1 21 21 GLU C C 21 179.088 179.088 179.291 -0.203 17613 8163 1 12 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.232 -0.338 17613 8164 1 12 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.452 -0.018 17613 8165 1 12 . 1 1 21 21 GLU H H 21 7.665 7.665 7.929 -0.264 17613 8166 1 12 . 1 1 22 22 VAL N N 22 109.032 109.032 112.700 -3.668 17613 8167 1 12 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.188 -0.056 17613 8168 1 12 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.006 -1.207 17613 8169 1 12 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.138 -2.309 17613 8170 1 12 . 1 1 22 22 VAL H H 22 8.037 8.037 7.743 0.294 17613 8171 1 12 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.580 0.137 17613 8172 1 12 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.496 3.312 17613 8173 1 12 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.145 0.026 17613 8174 1 12 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.567 0.079 17613 8175 1 12 . 1 1 25 25 GLN C C 25 175.692 175.692 176.072 -0.380 17613 8176 1 12 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.411 -0.393 17613 8177 1 12 . 1 1 26 26 GLY N N 26 106.368 106.368 108.644 -2.276 17613 8178 1 12 . 1 1 26 26 GLY C C 26 174.382 174.382 173.287 1.095 17613 8179 1 12 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.610 0.347 17613 8180 1 12 . 1 1 26 26 GLY H H 26 8.020 8.020 7.606 0.414 17613 8181 1 12 . 1 1 27 27 TYR N N 27 119.082 119.082 119.240 -0.158 17613 8182 1 12 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.899 -0.466 17613 8183 1 12 . 1 1 27 27 TYR C C 27 174.528 174.528 175.307 -0.779 17613 8184 1 12 . 1 1 27 27 TYR CA C 27 58.054 58.054 56.442 1.612 17613 8185 1 12 . 1 1 27 27 TYR CB C 27 39.005 39.005 41.164 -2.159 17613 8186 1 12 . 1 1 27 27 TYR H H 27 7.845 7.845 7.646 0.199 17613 8187 1 12 . 1 1 28 28 GLN N N 28 120.362 120.362 124.587 -4.225 17613 8188 1 12 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.362 0.137 17613 8189 1 12 . 1 1 28 28 GLN C C 28 174.625 174.625 175.401 -0.776 17613 8190 1 12 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.850 -1.470 17613 8191 1 12 . 1 1 28 28 GLN CB C 28 30.455 30.455 29.172 1.283 17613 8192 1 12 . 1 1 28 28 GLN H H 28 8.338 8.338 8.561 -0.223 17613 8193 1 12 . 1 1 29 29 VAL N N 29 123.482 123.482 126.021 -2.539 17613 8194 1 12 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.622 0.421 17613 8195 1 12 . 1 1 29 29 VAL C C 29 175.820 175.820 176.319 -0.499 17613 8196 1 12 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.854 -1.366 17613 8197 1 12 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.354 0.119 17613 8198 1 12 . 1 1 29 29 VAL H H 29 8.776 8.776 8.333 0.443 17613 8199 1 12 . 1 1 30 30 ARG N N 30 127.787 127.787 127.934 -0.147 17613 8200 1 12 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.620 0.120 17613 8201 1 12 . 1 1 30 30 ARG C C 30 173.332 173.332 174.679 -1.347 17613 8202 1 12 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.518 0.270 17613 8203 1 12 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.040 1.351 17613 8204 1 12 . 1 1 30 30 ARG H H 30 9.135 9.135 8.925 0.210 17613 8205 1 12 . 1 1 31 31 ASP N N 31 121.895 121.895 125.882 -3.987 17613 8206 1 12 . 1 1 31 31 ASP HA H 31 5.210 5.210 4.999 0.211 17613 8207 1 12 . 1 1 31 31 ASP C C 31 175.282 175.282 175.610 -0.328 17613 8208 1 12 . 1 1 31 31 ASP CA C 31 53.370 53.370 54.399 -1.029 17613 8209 1 12 . 1 1 31 31 ASP CB C 31 42.722 42.722 41.715 1.007 17613 8210 1 12 . 1 1 31 31 ASP H H 31 8.377 8.377 8.668 -0.291 17613 8211 1 12 . 1 1 32 32 VAL N N 32 120.426 120.426 124.271 -3.845 17613 8212 1 12 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.390 -0.142 17613 8213 1 12 . 1 1 32 32 VAL C C 32 174.114 174.114 174.512 -0.398 17613 8214 1 12 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.409 0.148 17613 8215 1 12 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.639 0.245 17613 8216 1 12 . 1 1 32 32 VAL H H 32 8.441 8.441 8.835 -0.394 17613 8217 1 12 . 1 1 33 33 ASN N N 33 122.700 122.700 123.582 -0.882 17613 8218 1 12 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.878 0.099 17613 8219 1 12 . 1 1 33 33 ASN C C 33 174.235 174.235 173.914 0.321 17613 8220 1 12 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.513 -0.117 17613 8221 1 12 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.606 0.263 17613 8222 1 12 . 1 1 33 33 ASN H H 33 9.550 9.550 8.816 0.734 17613 8223 1 12 . 1 1 34 34 ASP N N 34 114.885 114.885 117.295 -2.410 17613 8224 1 12 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.782 -0.079 17613 8225 1 12 . 1 1 34 34 ASP C C 34 175.626 175.626 176.768 -1.142 17613 8226 1 12 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.242 1.240 17613 8227 1 12 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.696 -1.300 17613 8228 1 12 . 1 1 34 34 ASP H H 34 7.616 7.616 7.479 0.137 17613 8229 1 12 . 1 1 35 35 SER N N 35 114.381 114.381 119.940 -5.559 17613 8230 1 12 . 1 1 35 35 SER HA H 35 4.046 4.046 4.130 -0.084 17613 8231 1 12 . 1 1 35 35 SER C C 35 175.991 175.991 176.071 -0.080 17613 8232 1 12 . 1 1 35 35 SER CA C 35 61.446 61.446 61.897 -0.451 17613 8233 1 12 . 1 1 35 35 SER CB C 35 62.764 62.764 63.155 -0.391 17613 8234 1 12 . 1 1 35 35 SER H H 35 8.869 8.869 8.867 0.002 17613 8235 1 12 . 1 1 36 36 ASP N N 36 124.695 124.695 120.501 4.194 17613 8236 1 12 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.532 -0.013 17613 8237 1 12 . 1 1 36 36 ASP C C 36 179.136 179.136 178.032 1.104 17613 8238 1 12 . 1 1 36 36 ASP CA C 36 57.668 57.668 56.927 0.741 17613 8239 1 12 . 1 1 36 36 ASP CB C 36 40.284 40.284 41.132 -0.848 17613 8240 1 12 . 1 1 36 36 ASP H H 36 8.388 8.388 8.073 0.315 17613 8241 1 12 . 1 1 37 37 GLU N N 37 122.449 122.449 119.493 2.956 17613 8242 1 12 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.166 -0.107 17613 8243 1 12 . 1 1 37 37 GLU C C 37 178.698 178.698 178.578 0.120 17613 8244 1 12 . 1 1 37 37 GLU CA C 37 59.209 59.209 57.841 1.368 17613 8245 1 12 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.534 0.188 17613 8246 1 12 . 1 1 37 37 GLU H H 37 9.009 9.009 7.800 1.209 17613 8247 1 12 . 1 1 38 38 LEU N N 38 119.580 119.580 122.710 -3.130 17613 8248 1 12 . 1 1 38 38 LEU HA H 38 3.911 3.911 4.074 -0.164 17613 8249 1 12 . 1 1 38 38 LEU C C 38 177.649 177.649 178.194 -0.545 17613 8250 1 12 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.205 0.928 17613 8251 1 12 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.016 -0.947 17613 8252 1 12 . 1 1 38 38 LEU H H 38 8.203 8.203 8.094 0.109 17613 8253 1 12 . 1 1 39 39 LYS N N 39 118.404 118.404 117.616 0.788 17613 8254 1 12 . 1 1 39 39 LYS HA H 39 3.841 3.841 4.003 -0.162 17613 8255 1 12 . 1 1 39 39 LYS C C 39 179.577 179.577 179.311 0.266 17613 8256 1 12 . 1 1 39 39 LYS CA C 39 59.866 59.866 58.908 0.958 17613 8257 1 12 . 1 1 39 39 LYS CB C 39 32.048 32.048 31.658 0.390 17613 8258 1 12 . 1 1 39 39 LYS H H 39 7.829 7.829 8.115 -0.286 17613 8259 1 12 . 1 1 40 40 LYS N N 40 119.271 119.271 119.312 -0.041 17613 8260 1 12 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.124 -0.102 17613 8261 1 12 . 1 1 40 40 LYS C C 40 179.577 179.577 178.800 0.777 17613 8262 1 12 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.661 0.929 17613 8263 1 12 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.063 0.337 17613 8264 1 12 . 1 1 40 40 LYS H H 40 7.779 7.779 7.370 0.409 17613 8265 1 12 . 1 1 41 41 GLU N N 41 119.647 119.647 119.123 0.524 17613 8266 1 12 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.187 0.076 17613 8267 1 12 . 1 1 41 41 GLU C C 41 179.504 179.504 179.131 0.373 17613 8268 1 12 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.255 -0.181 17613 8269 1 12 . 1 1 41 41 GLU CB C 41 28.246 28.246 28.933 -0.687 17613 8270 1 12 . 1 1 41 41 GLU H H 41 8.721 8.721 7.831 0.890 17613 8271 1 12 . 1 1 42 42 MET N N 42 118.114 118.114 118.274 -0.160 17613 8272 1 12 . 1 1 42 42 MET HA H 42 4.383 4.383 4.239 0.144 17613 8273 1 12 . 1 1 42 42 MET C C 42 179.185 179.185 178.388 0.797 17613 8274 1 12 . 1 1 42 42 MET CA C 42 57.054 57.054 57.534 -0.480 17613 8275 1 12 . 1 1 42 42 MET CB C 42 31.254 31.254 31.974 -0.720 17613 8276 1 12 . 1 1 42 42 MET H H 42 8.779 8.779 8.027 0.752 17613 8277 1 12 . 1 1 43 43 LYS N N 43 120.740 120.740 119.402 1.338 17613 8278 1 12 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.011 0.077 17613 8279 1 12 . 1 1 43 43 LYS C C 43 178.187 178.187 178.992 -0.805 17613 8280 1 12 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.262 0.128 17613 8281 1 12 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.130 -0.168 17613 8282 1 12 . 1 1 43 43 LYS H H 43 7.499 7.499 7.791 -0.292 17613 8283 1 12 . 1 1 44 44 LYS N N 44 118.269 118.269 119.576 -1.307 17613 8284 1 12 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.145 -0.084 17613 8285 1 12 . 1 1 44 44 LYS C C 44 179.601 179.601 179.069 0.532 17613 8286 1 12 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.149 1.351 17613 8287 1 12 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.857 0.213 17613 8288 1 12 . 1 1 44 44 LYS H H 44 7.445 7.445 7.667 -0.222 17613 8289 1 12 . 1 1 45 45 LEU N N 45 117.785 117.785 117.884 -0.099 17613 8290 1 12 . 1 1 45 45 LEU HA H 45 4.148 4.148 3.962 0.186 17613 8291 1 12 . 1 1 45 45 LEU C C 45 178.357 178.357 178.706 -0.349 17613 8292 1 12 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.721 -0.534 17613 8293 1 12 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.322 0.451 17613 8294 1 12 . 1 1 45 45 LEU H H 45 8.161 8.161 8.182 -0.021 17613 8295 1 12 . 1 1 46 46 ALA N N 46 118.538 118.538 120.908 -2.370 17613 8296 1 12 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.323 -0.071 17613 8297 1 12 . 1 1 46 46 ALA C C 46 178.893 178.893 179.876 -0.983 17613 8298 1 12 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.863 -0.191 17613 8299 1 12 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.827 0.055 17613 8300 1 12 . 1 1 46 46 ALA H H 46 7.637 7.637 7.483 0.154 17613 8301 1 12 . 1 1 47 47 GLU N N 47 115.492 115.492 119.715 -4.223 17613 8302 1 12 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.167 0.083 17613 8303 1 12 . 1 1 47 47 GLU C C 47 176.478 176.478 178.725 -2.247 17613 8304 1 12 . 1 1 47 47 GLU CA C 47 56.931 56.931 58.775 -1.844 17613 8305 1 12 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.033 0.384 17613 8306 1 12 . 1 1 47 47 GLU H H 47 7.713 7.713 7.853 -0.140 17613 8307 1 12 . 1 1 48 48 GLU N N 48 120.573 120.573 118.157 2.416 17613 8308 1 12 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.464 -0.091 17613 8309 1 12 . 1 1 48 48 GLU C C 48 173.624 173.624 175.152 -1.528 17613 8310 1 12 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.351 0.670 17613 8311 1 12 . 1 1 48 48 GLU CB C 48 29.910 29.910 29.159 0.751 17613 8312 1 12 . 1 1 48 48 GLU H H 48 7.748 7.748 7.967 -0.219 17613 8313 1 12 . 1 1 49 49 LYS N N 49 124.420 124.420 121.621 2.799 17613 8314 1 12 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.009 0.309 17613 8315 1 12 . 1 1 49 49 LYS C C 49 176.843 176.843 175.625 1.218 17613 8316 1 12 . 1 1 49 49 LYS CA C 49 56.517 56.517 57.146 -0.629 17613 8317 1 12 . 1 1 49 49 LYS CB C 49 32.462 32.462 31.407 1.055 17613 8318 1 12 . 1 1 49 49 LYS H H 49 8.607 8.607 7.192 1.415 17613 8319 1 12 . 1 1 50 50 ASN N N 50 117.993 117.993 122.571 -4.578 17613 8320 1 12 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.628 -0.004 17613 8321 1 12 . 1 1 50 50 ASN C C 50 176.454 176.454 174.897 1.557 17613 8322 1 12 . 1 1 50 50 ASN CA C 50 53.555 53.555 51.894 1.661 17613 8323 1 12 . 1 1 50 50 ASN CB C 50 39.036 39.036 40.116 -1.080 17613 8324 1 12 . 1 1 50 50 ASN H H 50 8.723 8.723 7.761 0.962 17613 8325 1 12 . 1 1 51 51 PHE N N 51 120.700 120.700 114.811 5.889 17613 8326 1 12 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.519 0.239 17613 8327 1 12 . 1 1 51 51 PHE CA C 51 57.935 57.935 59.295 -1.360 17613 8328 1 12 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.921 0.054 17613 8329 1 12 . 1 1 51 51 PHE H H 51 8.341 8.341 8.232 0.109 17613 8330 1 12 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.038 0.220 17613 8331 1 12 . 1 1 52 52 GLU C C 52 173.600 173.600 175.694 -2.094 17613 8332 1 12 . 1 1 52 52 GLU CA C 52 56.254 56.254 56.345 -0.091 17613 8333 1 12 . 1 1 52 52 GLU CB C 52 33.459 33.459 29.238 4.221 17613 8334 1 12 . 1 1 53 53 LYS N N 53 119.964 119.964 124.986 -5.022 17613 8335 1 12 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.248 0.441 17613 8336 1 12 . 1 1 53 53 LYS C C 53 174.430 174.430 175.598 -1.168 17613 8337 1 12 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.929 -0.573 17613 8338 1 12 . 1 1 53 53 LYS CB C 53 31.445 31.445 33.101 -1.656 17613 8339 1 12 . 1 1 53 53 LYS H H 53 7.962 7.962 8.160 -0.198 17613 8340 1 12 . 1 1 54 54 ILE N N 54 124.730 124.730 121.013 3.717 17613 8341 1 12 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.662 0.184 17613 8342 1 12 . 1 1 54 54 ILE C C 54 173.089 173.089 174.754 -1.665 17613 8343 1 12 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.682 0.582 17613 8344 1 12 . 1 1 54 54 ILE CB C 54 41.953 41.953 40.414 1.539 17613 8345 1 12 . 1 1 54 54 ILE H H 54 8.804 8.804 7.901 0.903 17613 8346 1 12 . 1 1 55 55 LEU N N 55 130.086 130.086 127.614 2.472 17613 8347 1 12 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.136 0.505 17613 8348 1 12 . 1 1 55 55 LEU C C 55 174.430 174.430 175.047 -0.617 17613 8349 1 12 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.429 0.073 17613 8350 1 12 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.145 0.057 17613 8351 1 12 . 1 1 55 55 LEU H H 55 9.103 9.103 8.338 0.765 17613 8352 1 12 . 1 1 56 56 ILE N N 56 125.983 125.983 126.086 -0.103 17613 8353 1 12 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.741 0.316 17613 8354 1 12 . 1 1 56 56 ILE C C 56 174.089 174.089 175.033 -0.944 17613 8355 1 12 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.840 0.270 17613 8356 1 12 . 1 1 56 56 ILE CB C 56 39.823 39.823 39.089 0.734 17613 8357 1 12 . 1 1 56 56 ILE H H 56 9.182 9.182 8.589 0.593 17613 8358 1 12 . 1 1 57 57 ILE N N 57 127.241 127.241 128.328 -1.087 17613 8359 1 12 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.923 -0.011 17613 8360 1 12 . 1 1 57 57 ILE C C 57 174.869 174.869 175.088 -0.219 17613 8361 1 12 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.293 -1.038 17613 8362 1 12 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.613 -0.662 17613 8363 1 12 . 1 1 57 57 ILE H H 57 8.541 8.541 8.604 -0.063 17613 8364 1 12 . 1 1 58 58 SER N N 58 119.270 119.270 122.212 -2.942 17613 8365 1 12 . 1 1 58 58 SER HA H 58 5.007 5.007 5.457 -0.450 17613 8366 1 12 . 1 1 58 58 SER C C 58 174.211 174.211 174.388 -0.177 17613 8367 1 12 . 1 1 58 58 SER CA C 58 56.727 56.727 55.806 0.921 17613 8368 1 12 . 1 1 58 58 SER CB C 58 66.615 66.615 65.107 1.508 17613 8369 1 12 . 1 1 58 58 SER H H 58 8.810 8.810 8.723 0.087 17613 8370 1 12 . 1 1 59 59 ASN N N 59 122.382 122.382 125.409 -3.027 17613 8371 1 12 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.895 -0.184 17613 8372 1 12 . 1 1 59 59 ASN C C 59 174.795 174.795 174.398 0.397 17613 8373 1 12 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.437 -0.930 17613 8374 1 12 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.635 -0.673 17613 8375 1 12 . 1 1 59 59 ASN H H 59 8.794 8.794 8.348 0.446 17613 8376 1 12 . 1 1 60 60 ASP N N 60 119.744 119.744 119.575 0.169 17613 8377 1 12 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.816 0.047 17613 8378 1 12 . 1 1 60 60 ASP C C 60 176.015 176.015 175.692 0.323 17613 8379 1 12 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.642 0.455 17613 8380 1 12 . 1 1 60 60 ASP CB C 60 42.949 42.949 44.020 -1.071 17613 8381 1 12 . 1 1 60 60 ASP H H 60 7.857 7.857 7.361 0.496 17613 8382 1 12 . 1 1 61 61 LYS N N 61 125.818 125.818 123.848 1.970 17613 8383 1 12 . 1 1 61 61 LYS HA H 61 3.722 3.722 3.900 -0.178 17613 8384 1 12 . 1 1 61 61 LYS C C 61 177.673 177.673 178.089 -0.416 17613 8385 1 12 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.739 -0.107 17613 8386 1 12 . 1 1 61 61 LYS CB C 61 31.518 31.518 31.523 -0.004 17613 8387 1 12 . 1 1 61 61 LYS H H 61 8.904 8.904 8.471 0.433 17613 8388 1 12 . 1 1 62 62 GLN N N 62 118.918 118.918 119.119 -0.201 17613 8389 1 12 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.173 -0.068 17613 8390 1 12 . 1 1 62 62 GLN C C 62 178.747 178.747 177.972 0.775 17613 8391 1 12 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.757 -0.456 17613 8392 1 12 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.103 -0.655 17613 8393 1 12 . 1 1 62 62 GLN H H 62 8.434 8.434 8.610 -0.176 17613 8394 1 12 . 1 1 63 63 LEU N N 63 120.071 120.071 119.921 0.150 17613 8395 1 12 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.959 0.175 17613 8396 1 12 . 1 1 63 63 LEU C C 63 178.552 178.552 178.822 -0.270 17613 8397 1 12 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.679 -1.036 17613 8398 1 12 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.591 -0.697 17613 8399 1 12 . 1 1 63 63 LEU H H 63 7.671 7.671 7.773 -0.102 17613 8400 1 12 . 1 1 64 64 LEU N N 64 117.705 117.705 119.849 -2.144 17613 8401 1 12 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.970 -0.063 17613 8402 1 12 . 1 1 64 64 LEU C C 64 172.526 172.526 178.706 -6.180 17613 8403 1 12 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.062 -0.284 17613 8404 1 12 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.926 -0.576 17613 8405 1 12 . 1 1 64 64 LEU H H 64 7.626 7.626 7.724 -0.098 17613 8406 1 12 . 1 1 65 65 LYS N N 65 118.311 118.311 118.897 -0.586 17613 8407 1 12 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.841 -0.047 17613 8408 1 12 . 1 1 65 65 LYS C C 65 178.479 178.479 178.987 -0.508 17613 8409 1 12 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.115 0.111 17613 8410 1 12 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.203 0.063 17613 8411 1 12 . 1 1 65 65 LYS H H 65 8.038 8.038 7.880 0.158 17613 8412 1 12 . 1 1 66 66 GLU N N 66 119.362 119.362 119.073 0.289 17613 8413 1 12 . 1 1 66 66 GLU HA H 66 4.026 4.026 3.991 0.035 17613 8414 1 12 . 1 1 66 66 GLU C C 66 178.893 178.893 179.021 -0.128 17613 8415 1 12 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.925 0.194 17613 8416 1 12 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.171 0.091 17613 8417 1 12 . 1 1 66 66 GLU H H 66 7.803 7.803 7.736 0.067 17613 8418 1 12 . 1 1 67 67 MET N N 67 118.398 118.398 120.128 -1.730 17613 8419 1 12 . 1 1 67 67 MET HA H 67 3.948 3.948 4.015 -0.067 17613 8420 1 12 . 1 1 67 67 MET C C 67 177.527 177.527 178.372 -0.845 17613 8421 1 12 . 1 1 67 67 MET CA C 67 59.963 59.963 59.492 0.471 17613 8422 1 12 . 1 1 67 67 MET CB C 67 33.443 33.443 32.604 0.839 17613 8423 1 12 . 1 1 67 67 MET H H 67 8.394 8.394 8.203 0.191 17613 8424 1 12 . 1 1 68 68 LEU N N 68 118.269 118.269 118.376 -0.107 17613 8425 1 12 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.831 -0.052 17613 8426 1 12 . 1 1 68 68 LEU C C 68 178.869 178.869 179.173 -0.304 17613 8427 1 12 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.552 0.389 17613 8428 1 12 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.241 -0.366 17613 8429 1 12 . 1 1 68 68 LEU H H 68 8.471 8.471 7.873 0.598 17613 8430 1 12 . 1 1 69 69 GLU N N 69 118.681 118.681 118.925 -0.244 17613 8431 1 12 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.095 -0.040 17613 8432 1 12 . 1 1 69 69 GLU C C 69 179.063 179.063 179.261 -0.198 17613 8433 1 12 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.240 0.184 17613 8434 1 12 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.610 -0.470 17613 8435 1 12 . 1 1 69 69 GLU H H 69 7.627 7.627 7.871 -0.244 17613 8436 1 12 . 1 1 70 70 LEU N N 70 119.503 119.503 120.368 -0.865 17613 8437 1 12 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.093 0.068 17613 8438 1 12 . 1 1 70 70 LEU C C 70 179.699 179.699 179.118 0.581 17613 8439 1 12 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.851 -0.077 17613 8440 1 12 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.111 -0.167 17613 8441 1 12 . 1 1 70 70 LEU H H 70 7.717 7.717 7.841 -0.124 17613 8442 1 12 . 1 1 71 71 ILE N N 71 116.791 116.791 119.302 -2.511 17613 8443 1 12 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.735 0.002 17613 8444 1 12 . 1 1 71 71 ILE C C 71 178.357 178.357 177.945 0.412 17613 8445 1 12 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.029 -0.787 17613 8446 1 12 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.748 0.153 17613 8447 1 12 . 1 1 71 71 ILE H H 71 8.598 8.598 8.347 0.251 17613 8448 1 12 . 1 1 72 72 SER N N 72 116.517 116.517 115.333 1.184 17613 8449 1 12 . 1 1 72 72 SER HA H 72 4.365 4.365 4.160 0.205 17613 8450 1 12 . 1 1 72 72 SER C C 72 176.845 176.845 176.250 0.595 17613 8451 1 12 . 1 1 72 72 SER CA C 72 61.365 61.365 61.575 -0.210 17613 8452 1 12 . 1 1 72 72 SER CB C 72 62.780 62.780 63.080 -0.300 17613 8453 1 12 . 1 1 72 72 SER H H 72 8.023 8.023 8.218 -0.195 17613 8454 1 12 . 1 1 73 73 LYS N N 73 120.731 120.731 119.839 0.892 17613 8455 1 12 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.093 0.198 17613 8456 1 12 . 1 1 73 73 LYS C C 73 177.771 177.771 178.706 -0.935 17613 8457 1 12 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.896 -0.420 17613 8458 1 12 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.056 0.090 17613 8459 1 12 . 1 1 73 73 LYS H H 73 7.723 7.723 7.529 0.194 17613 8460 1 12 . 1 1 74 74 LEU N N 74 117.572 117.572 117.993 -0.421 17613 8461 1 12 . 1 1 74 74 LEU HA H 74 4.227 4.227 3.983 0.244 17613 8462 1 12 . 1 1 74 74 LEU C C 74 177.332 177.332 177.086 0.246 17613 8463 1 12 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.456 -0.257 17613 8464 1 12 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.288 -0.802 17613 8465 1 12 . 1 1 74 74 LEU H H 74 7.609 7.609 7.347 0.262 17613 8466 1 12 . 1 1 75 75 GLY N N 75 105.991 105.991 105.347 0.644 17613 8467 1 12 . 1 1 75 75 GLY C C 75 174.771 174.771 174.031 0.740 17613 8468 1 12 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.195 0.647 17613 8469 1 12 . 1 1 75 75 GLY H H 75 7.925 7.925 7.547 0.378 17613 8470 1 12 . 1 1 76 76 TYR N N 76 118.452 118.452 119.391 -0.939 17613 8471 1 12 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.595 0.183 17613 8472 1 12 . 1 1 76 76 TYR C C 76 175.234 175.234 175.192 0.042 17613 8473 1 12 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.057 -0.553 17613 8474 1 12 . 1 1 76 76 TYR CB C 76 37.962 37.962 41.642 -3.680 17613 8475 1 12 . 1 1 76 76 TYR H H 76 7.366 7.366 7.365 0.001 17613 8476 1 12 . 1 1 77 77 LYS N N 77 122.866 122.866 123.601 -0.735 17613 8477 1 12 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.166 0.382 17613 8478 1 12 . 1 1 77 77 LYS C C 77 174.138 174.138 175.270 -1.132 17613 8479 1 12 . 1 1 77 77 LYS CA C 77 55.070 55.070 56.099 -1.029 17613 8480 1 12 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.927 0.290 17613 8481 1 12 . 1 1 77 77 LYS H H 77 8.290 8.290 8.752 -0.462 17613 8482 1 12 . 1 1 78 78 VAL N N 78 124.071 124.071 126.726 -2.655 17613 8483 1 12 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.057 0.109 17613 8484 1 12 . 1 1 78 78 VAL C C 78 174.162 174.162 174.534 -0.372 17613 8485 1 12 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.664 -0.435 17613 8486 1 12 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.849 0.506 17613 8487 1 12 . 1 1 78 78 VAL H H 78 7.830 7.830 8.251 -0.421 17613 8488 1 12 . 1 1 79 79 PHE N N 79 126.174 126.174 126.316 -0.142 17613 8489 1 12 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.666 -0.099 17613 8490 1 12 . 1 1 79 79 PHE C C 79 173.357 173.357 174.454 -1.097 17613 8491 1 12 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.392 -0.439 17613 8492 1 12 . 1 1 79 79 PHE CB C 79 40.184 40.184 39.447 0.737 17613 8493 1 12 . 1 1 79 79 PHE H H 79 8.374 8.374 8.319 0.055 17613 8494 1 12 . 1 1 80 80 LEU N N 80 123.959 123.959 126.416 -2.457 17613 8495 1 12 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.377 0.169 17613 8496 1 12 . 1 1 80 80 LEU C C 80 173.503 173.503 174.798 -1.295 17613 8497 1 12 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.266 0.733 17613 8498 1 12 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.208 0.459 17613 8499 1 12 . 1 1 80 80 LEU H H 80 8.601 8.601 8.718 -0.117 17613 8500 1 12 . 1 1 81 81 LEU N N 81 126.694 126.694 128.719 -2.025 17613 8501 1 12 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.402 -0.133 17613 8502 1 12 . 1 1 81 81 LEU C C 81 173.649 173.649 174.490 -0.841 17613 8503 1 12 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.357 -0.293 17613 8504 1 12 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.869 0.908 17613 8505 1 12 . 1 1 81 81 LEU H H 81 9.063 9.063 9.083 -0.020 17613 8506 1 12 . 1 1 82 82 LEU N N 82 124.888 124.888 128.415 -3.527 17613 8507 1 12 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.732 0.179 17613 8508 1 12 . 1 1 82 82 LEU C C 82 174.479 174.479 174.997 -0.518 17613 8509 1 12 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.989 -0.854 17613 8510 1 12 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.781 1.441 17613 8511 1 12 . 1 1 82 82 LEU H H 82 8.864 8.864 9.075 -0.211 17613 8512 1 12 . 1 1 83 83 GLN N N 83 122.153 122.153 125.304 -3.151 17613 8513 1 12 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.162 0.098 17613 8514 1 12 . 1 1 83 83 GLN C C 83 174.333 174.333 174.766 -0.433 17613 8515 1 12 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.544 0.042 17613 8516 1 12 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.143 -1.273 17613 8517 1 12 . 1 1 83 83 GLN H H 83 8.437 8.437 8.819 -0.382 17613 8518 1 12 . 1 1 84 84 ASP N N 84 124.451 124.451 125.878 -1.427 17613 8519 1 12 . 1 1 84 84 ASP HA H 84 4.502 4.502 5.095 -0.593 17613 8520 1 12 . 1 1 84 84 ASP C C 84 174.308 174.308 175.890 -1.582 17613 8521 1 12 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.467 0.548 17613 8522 1 12 . 1 1 84 84 ASP CB C 84 43.771 43.771 43.734 0.036 17613 8523 1 12 . 1 1 84 84 ASP H H 84 8.205 8.205 8.243 -0.038 17613 8524 1 12 . 1 1 85 85 GLN N N 85 120.202 120.202 120.944 -0.742 17613 8525 1 12 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.219 0.115 17613 8526 1 12 . 1 1 85 85 GLN C C 85 175.431 175.431 176.258 -0.827 17613 8527 1 12 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.724 -0.129 17613 8528 1 12 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.294 0.040 17613 8529 1 12 . 1 1 85 85 GLN H H 85 8.617 8.617 8.526 0.091 17613 8530 1 12 . 1 1 86 86 ASP N N 86 120.508 120.508 122.416 -1.908 17613 8531 1 12 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.775 -0.090 17613 8532 1 12 . 1 1 86 86 ASP C C 86 175.747 175.747 175.839 -0.092 17613 8533 1 12 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.093 -0.581 17613 8534 1 12 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.659 0.298 17613 8535 1 12 . 1 1 86 86 ASP H H 86 8.691 8.691 7.992 0.699 17613 8536 1 12 . 1 1 87 87 GLU N N 87 123.604 123.604 122.981 0.623 17613 8537 1 12 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.067 -0.032 17613 8538 1 12 . 1 1 87 87 GLU C C 87 177.771 177.771 177.736 0.035 17613 8539 1 12 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.210 -0.688 17613 8540 1 12 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.757 -0.182 17613 8541 1 12 . 1 1 87 87 GLU H H 87 8.642 8.642 8.579 0.063 17613 8542 1 12 . 1 1 88 88 ASN N N 88 118.838 118.838 117.632 1.206 17613 8543 1 12 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.519 0.042 17613 8544 1 12 . 1 1 88 88 ASN C C 88 177.089 177.089 177.433 -0.344 17613 8545 1 12 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.092 -0.450 17613 8546 1 12 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.664 0.502 17613 8547 1 12 . 1 1 88 88 ASN H H 88 8.527 8.527 8.653 -0.126 17613 8548 1 12 . 1 1 89 89 GLU N N 89 120.947 120.947 121.102 -0.155 17613 8549 1 12 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.123 0.024 17613 8550 1 12 . 1 1 89 89 GLU C C 89 178.357 178.357 178.895 -0.538 17613 8551 1 12 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.839 -0.588 17613 8552 1 12 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.592 -0.348 17613 8553 1 12 . 1 1 89 89 GLU H H 89 8.221 8.221 7.667 0.554 17613 8554 1 12 . 1 1 90 90 LEU N N 90 119.582 119.582 121.119 -1.537 17613 8555 1 12 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.108 0.097 17613 8556 1 12 . 1 1 90 90 LEU C C 90 177.917 177.917 178.602 -0.685 17613 8557 1 12 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.209 -1.265 17613 8558 1 12 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.905 0.551 17613 8559 1 12 . 1 1 90 90 LEU H H 90 8.047 8.047 8.288 -0.241 17613 8560 1 12 . 1 1 91 91 GLU N N 91 119.029 119.029 119.026 0.003 17613 8561 1 12 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.044 0.029 17613 8562 1 12 . 1 1 91 91 GLU C C 91 178.284 178.284 178.774 -0.490 17613 8563 1 12 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.295 -0.167 17613 8564 1 12 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.056 -0.086 17613 8565 1 12 . 1 1 91 91 GLU H H 91 7.940 7.940 7.993 -0.053 17613 8566 1 12 . 1 1 92 92 GLU N N 92 118.667 118.667 119.596 -0.929 17613 8567 1 12 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.038 -0.006 17613 8568 1 12 . 1 1 92 92 GLU C C 92 178.103 178.103 179.203 -1.100 17613 8569 1 12 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.279 -0.027 17613 8570 1 12 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.309 -0.377 17613 8571 1 12 . 1 1 92 92 GLU H H 92 8.088 8.088 7.805 0.283 17613 8572 1 12 . 1 1 93 93 PHE N N 93 120.118 120.118 120.230 -0.112 17613 8573 1 12 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.204 0.136 17613 8574 1 12 . 1 1 93 93 PHE C C 93 176.894 176.894 177.439 -0.545 17613 8575 1 12 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.708 -0.263 17613 8576 1 12 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.325 -0.338 17613 8577 1 12 . 1 1 93 93 PHE H H 93 8.103 8.103 8.373 -0.270 17613 8578 1 12 . 1 1 94 94 LYS N N 94 118.941 118.941 120.342 -1.401 17613 8579 1 12 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.816 -0.199 17613 8580 1 12 . 1 1 94 94 LYS C C 94 177.600 177.600 178.636 -1.036 17613 8581 1 12 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.389 0.687 17613 8582 1 12 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.541 -0.076 17613 8583 1 12 . 1 1 94 94 LYS H H 94 8.606 8.606 8.133 0.473 17613 8584 1 12 . 1 1 95 95 ARG N N 95 117.194 117.194 116.953 0.241 17613 8585 1 12 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.055 0.095 17613 8586 1 12 . 1 1 95 95 ARG C C 95 179.404 179.404 178.821 0.583 17613 8587 1 12 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.096 0.007 17613 8588 1 12 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.627 0.192 17613 8589 1 12 . 1 1 95 95 ARG H H 95 8.159 8.159 8.218 -0.059 17613 8590 1 12 . 1 1 96 96 LYS N N 96 119.582 119.582 120.221 -0.639 17613 8591 1 12 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.049 0.016 17613 8592 1 12 . 1 1 96 96 LYS C C 96 179.034 179.034 179.051 -0.017 17613 8593 1 12 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.224 -0.290 17613 8594 1 12 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.004 0.065 17613 8595 1 12 . 1 1 96 96 LYS H H 96 7.786 7.786 7.691 0.095 17613 8596 1 12 . 1 1 97 97 ILE N N 97 118.550 118.550 118.440 0.110 17613 8597 1 12 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.769 0.169 17613 8598 1 12 . 1 1 97 97 ILE C C 97 178.284 178.284 177.494 0.790 17613 8599 1 12 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.791 -1.222 17613 8600 1 12 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.835 -0.629 17613 8601 1 12 . 1 1 97 97 ILE H H 97 7.831 7.831 7.211 0.620 17613 8602 1 12 . 1 1 98 98 GLU N N 98 121.984 121.984 121.226 0.758 17613 8603 1 12 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.253 0.083 17613 8604 1 12 . 1 1 98 98 GLU C C 98 180.040 180.040 179.386 0.654 17613 8605 1 12 . 1 1 98 98 GLU CA C 98 58.950 58.950 59.279 -0.329 17613 8606 1 12 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.585 -0.150 17613 8607 1 12 . 1 1 98 98 GLU H H 98 8.670 8.670 8.337 0.333 17613 8608 1 12 . 1 1 99 99 SER N N 99 115.499 115.499 115.132 0.367 17613 8609 1 12 . 1 1 99 99 SER HA H 99 4.343 4.343 4.304 0.039 17613 8610 1 12 . 1 1 99 99 SER C C 99 174.820 174.820 176.211 -1.391 17613 8611 1 12 . 1 1 99 99 SER CA C 99 60.410 60.410 60.628 -0.218 17613 8612 1 12 . 1 1 99 99 SER CB C 99 62.680 62.680 63.195 -0.515 17613 8613 1 12 . 1 1 99 99 SER H H 99 8.099 8.099 7.734 0.365 17613 8614 1 12 . 1 1 100 100 GLN N N 100 119.301 119.301 118.587 0.714 17613 8615 1 12 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.261 0.049 17613 8616 1 12 . 1 1 100 100 GLN C C 100 175.857 175.857 176.103 -0.246 17613 8617 1 12 . 1 1 100 100 GLN CA C 100 55.926 55.926 56.368 -0.442 17613 8618 1 12 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.377 -0.165 17613 8619 1 12 . 1 1 100 100 GLN H H 100 7.623 7.623 7.678 -0.055 17613 8620 1 12 . 1 1 101 101 GLY N N 101 105.765 105.765 105.754 0.011 17613 8621 1 12 . 1 1 101 101 GLY C C 101 173.748 173.748 173.361 0.387 17613 8622 1 12 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.592 0.611 17613 8623 1 12 . 1 1 101 101 GLY H H 101 7.945 7.945 7.625 0.320 17613 8624 1 12 . 1 1 102 102 TYR N N 102 117.993 117.993 117.734 0.259 17613 8625 1 12 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.636 0.036 17613 8626 1 12 . 1 1 102 102 TYR C C 102 174.747 174.747 174.413 0.334 17613 8627 1 12 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.800 -0.546 17613 8628 1 12 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.768 -1.720 17613 8629 1 12 . 1 1 102 102 TYR H H 102 6.890 6.890 7.369 -0.479 17613 8630 1 12 . 1 1 103 103 GLU N N 103 122.864 122.864 125.166 -2.302 17613 8631 1 12 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.489 0.018 17613 8632 1 12 . 1 1 103 103 GLU C C 103 174.162 174.162 175.039 -0.877 17613 8633 1 12 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.611 0.772 17613 8634 1 12 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.329 1.042 17613 8635 1 12 . 1 1 103 103 GLU H H 103 8.318 8.318 8.593 -0.275 17613 8636 1 12 . 1 1 104 104 VAL N N 104 124.342 124.342 126.485 -2.143 17613 8637 1 12 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.985 0.243 17613 8638 1 12 . 1 1 104 104 VAL C C 104 174.235 174.235 176.158 -1.923 17613 8639 1 12 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.381 -2.101 17613 8640 1 12 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.003 1.164 17613 8641 1 12 . 1 1 104 104 VAL H H 104 8.651 8.651 7.988 0.663 17613 8642 1 12 . 1 1 105 105 ARG N N 105 124.856 124.856 127.757 -2.901 17613 8643 1 12 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.761 0.154 17613 8644 1 12 . 1 1 105 105 ARG C C 105 173.917 173.917 175.641 -1.724 17613 8645 1 12 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.520 -1.055 17613 8646 1 12 . 1 1 105 105 ARG CB C 105 32.955 32.955 32.890 0.065 17613 8647 1 12 . 1 1 105 105 ARG H H 105 8.705 8.705 9.233 -0.528 17613 8648 1 12 . 1 1 106 106 LYS N N 106 121.499 121.499 120.750 0.749 17613 8649 1 12 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.455 0.123 17613 8650 1 12 . 1 1 106 106 LYS C C 106 174.820 174.820 176.081 -1.261 17613 8651 1 12 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.193 -1.325 17613 8652 1 12 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.748 0.551 17613 8653 1 12 . 1 1 106 106 LYS H H 106 8.807 8.807 8.479 0.328 17613 8654 1 12 . 1 1 107 107 VAL N N 107 118.792 118.792 119.220 -0.428 17613 8655 1 12 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.364 0.251 17613 8656 1 12 . 1 1 107 107 VAL C C 107 173.332 173.332 174.315 -0.983 17613 8657 1 12 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.986 -0.764 17613 8658 1 12 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.465 -0.231 17613 8659 1 12 . 1 1 107 107 VAL H H 107 8.555 8.555 8.495 0.060 17613 8660 1 12 . 1 1 108 108 THR N N 108 114.072 114.072 115.135 -1.063 17613 8661 1 12 . 1 1 108 108 THR HA H 108 4.781 4.781 4.512 0.269 17613 8662 1 12 . 1 1 108 108 THR C C 108 174.625 174.625 173.713 0.912 17613 8663 1 12 . 1 1 108 108 THR CA C 108 62.221 62.221 61.533 0.688 17613 8664 1 12 . 1 1 108 108 THR CB C 108 69.975 69.975 70.018 -0.043 17613 8665 1 12 . 1 1 108 108 THR H H 108 8.604 8.604 8.197 0.407 17613 8666 1 12 . 1 1 109 109 ASP N N 109 122.574 122.574 123.099 -0.525 17613 8667 1 12 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.745 -0.007 17613 8668 1 12 . 1 1 109 109 ASP C C 109 175.796 175.796 176.907 -1.111 17613 8669 1 12 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.404 -0.555 17613 8670 1 12 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.185 1.503 17613 8671 1 12 . 1 1 109 109 ASP H H 109 8.036 8.036 7.781 0.255 17613 8672 1 12 . 1 1 110 110 ASP N N 110 122.852 122.852 122.674 0.178 17613 8673 1 12 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.254 -0.159 17613 8674 1 12 . 1 1 110 110 ASP C C 110 177.527 177.527 177.833 -0.306 17613 8675 1 12 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.581 -0.193 17613 8676 1 12 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.960 -0.659 17613 8677 1 12 . 1 1 110 110 ASP H H 110 8.696 8.696 8.815 -0.119 17613 8678 1 12 . 1 1 111 111 GLU N N 111 119.144 119.144 118.195 0.949 17613 8679 1 12 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.117 -0.129 17613 8680 1 12 . 1 1 111 111 GLU C C 111 179.942 179.942 179.081 0.861 17613 8681 1 12 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.038 0.319 17613 8682 1 12 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.051 -0.555 17613 8683 1 12 . 1 1 111 111 GLU H H 111 8.213 8.213 8.590 -0.377 17613 8684 1 12 . 1 1 112 112 GLU N N 112 121.400 121.400 119.634 1.766 17613 8685 1 12 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.102 -0.105 17613 8686 1 12 . 1 1 112 112 GLU C C 112 178.430 178.430 178.137 0.293 17613 8687 1 12 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.630 0.119 17613 8688 1 12 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.956 0.238 17613 8689 1 12 . 1 1 112 112 GLU H H 112 8.234 8.234 8.488 -0.254 17613 8690 1 12 . 1 1 113 113 ALA N N 113 120.316 120.316 122.249 -1.933 17613 8691 1 12 . 1 1 113 113 ALA HA H 113 3.800 3.800 3.948 -0.148 17613 8692 1 12 . 1 1 113 113 ALA C C 113 178.430 178.430 179.405 -0.975 17613 8693 1 12 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.342 0.040 17613 8694 1 12 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.299 0.303 17613 8695 1 12 . 1 1 113 113 ALA H H 113 8.118 8.118 7.675 0.443 17613 8696 1 12 . 1 1 114 114 LEU N N 114 116.901 116.901 117.738 -0.837 17613 8697 1 12 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.782 -0.069 17613 8698 1 12 . 1 1 114 114 LEU C C 114 178.431 178.431 179.218 -0.787 17613 8699 1 12 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.578 0.097 17613 8700 1 12 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.290 -0.354 17613 8701 1 12 . 1 1 114 114 LEU H H 114 7.743 7.743 7.548 0.195 17613 8702 1 12 . 1 1 115 115 LYS N N 115 119.066 119.066 118.899 0.167 17613 8703 1 12 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.931 -0.131 17613 8704 1 12 . 1 1 115 115 LYS C C 115 179.404 179.404 179.095 0.309 17613 8705 1 12 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.581 0.302 17613 8706 1 12 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.184 -0.006 17613 8707 1 12 . 1 1 115 115 LYS H H 115 7.617 7.617 7.322 0.295 17613 8708 1 12 . 1 1 116 116 ILE N N 116 120.613 120.613 119.027 1.586 17613 8709 1 12 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.574 -0.114 17613 8710 1 12 . 1 1 116 116 ILE C C 116 177.016 177.016 177.691 -0.675 17613 8711 1 12 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.909 1.213 17613 8712 1 12 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.104 0.219 17613 8713 1 12 . 1 1 116 116 ILE H H 116 8.004 8.004 7.841 0.163 17613 8714 1 12 . 1 1 117 117 VAL N N 117 120.234 120.234 120.433 -0.199 17613 8715 1 12 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.552 -0.292 17613 8716 1 12 . 1 1 117 117 VAL C C 117 177.746 177.746 177.560 0.186 17613 8717 1 12 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.273 0.232 17613 8718 1 12 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.082 -0.329 17613 8719 1 12 . 1 1 117 117 VAL H H 117 8.121 8.121 7.860 0.261 17613 8720 1 12 . 1 1 118 118 ARG N N 118 118.415 118.415 119.074 -0.659 17613 8721 1 12 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.983 -0.090 17613 8722 1 12 . 1 1 118 118 ARG C C 118 178.966 178.966 178.524 0.442 17613 8723 1 12 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.178 0.991 17613 8724 1 12 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.516 0.186 17613 8725 1 12 . 1 1 118 118 ARG H H 118 8.026 8.026 7.893 0.133 17613 8726 1 12 . 1 1 119 119 GLU N N 119 122.419 122.419 121.196 1.223 17613 8727 1 12 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.084 -0.057 17613 8728 1 12 . 1 1 119 119 GLU C C 119 179.429 179.429 178.628 0.801 17613 8729 1 12 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.763 0.767 17613 8730 1 12 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.021 -0.060 17613 8731 1 12 . 1 1 119 119 GLU H H 119 7.918 7.918 7.734 0.184 17613 8732 1 12 . 1 1 120 120 PHE N N 120 119.597 119.597 119.392 0.205 17613 8733 1 12 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.695 0.327 17613 8734 1 12 . 1 1 120 120 PHE C C 120 177.698 177.698 178.219 -0.521 17613 8735 1 12 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.806 -2.938 17613 8736 1 12 . 1 1 120 120 PHE CB C 120 36.753 36.753 37.957 -1.204 17613 8737 1 12 . 1 1 120 120 PHE H H 120 8.826 8.826 7.950 0.876 17613 8738 1 12 . 1 1 121 121 MET N N 121 116.596 116.596 117.063 -0.467 17613 8739 1 12 . 1 1 121 121 MET HA H 121 3.931 3.931 4.064 -0.133 17613 8740 1 12 . 1 1 121 121 MET C C 121 179.577 179.577 178.751 0.826 17613 8741 1 12 . 1 1 121 121 MET CA C 121 59.785 59.785 59.142 0.643 17613 8742 1 12 . 1 1 121 121 MET CB C 121 33.643 33.643 32.426 1.217 17613 8743 1 12 . 1 1 121 121 MET H H 121 8.317 8.317 8.128 0.189 17613 8744 1 12 . 1 1 122 122 GLN N N 122 120.565 120.565 120.090 0.475 17613 8745 1 12 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.075 0.060 17613 8746 1 12 . 1 1 122 122 GLN C C 122 178.893 178.893 177.936 0.957 17613 8747 1 12 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.031 -0.286 17613 8748 1 12 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.445 -0.425 17613 8749 1 12 . 1 1 122 122 GLN H H 122 8.054 8.054 7.783 0.271 17613 8750 1 12 . 1 1 123 123 LYS N N 123 121.605 121.605 119.101 2.504 17613 8751 1 12 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.066 -0.041 17613 8752 1 12 . 1 1 123 123 LYS C C 123 179.307 179.307 179.054 0.253 17613 8753 1 12 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.205 0.038 17613 8754 1 12 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.166 0.140 17613 8755 1 12 . 1 1 123 123 LYS H H 123 8.400 8.400 8.076 0.324 17613 8756 1 12 . 1 1 124 124 ALA N N 124 121.873 121.873 121.405 0.468 17613 8757 1 12 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.351 -0.207 17613 8758 1 12 . 1 1 124 124 ALA C C 124 179.112 179.112 179.811 -0.699 17613 8759 1 12 . 1 1 124 124 ALA CA C 124 54.652 54.652 55.217 -0.564 17613 8760 1 12 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.277 0.657 17613 8761 1 12 . 1 1 124 124 ALA H H 124 8.601 8.601 8.037 0.564 17613 8762 1 12 . 1 1 125 125 GLY N N 125 104.755 104.755 105.417 -0.662 17613 8763 1 12 . 1 1 125 125 GLY C C 125 175.553 175.553 176.591 -1.038 17613 8764 1 12 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.027 -0.736 17613 8765 1 12 . 1 1 125 125 GLY H H 125 7.949 7.949 8.077 -0.128 17613 8766 1 12 . 1 1 126 126 SER N N 126 116.080 116.080 118.057 -1.977 17613 8767 1 12 . 1 1 126 126 SER HA H 126 4.447 4.447 4.533 -0.086 17613 8768 1 12 . 1 1 126 126 SER C C 126 175.504 175.504 176.372 -0.868 17613 8769 1 12 . 1 1 126 126 SER CA C 126 59.965 59.965 61.599 -1.634 17613 8770 1 12 . 1 1 126 126 SER CB C 126 63.460 63.460 62.931 0.528 17613 8771 1 12 . 1 1 126 126 SER H H 126 7.861 7.861 7.727 0.134 17613 8772 1 12 . 1 1 127 127 LEU N N 127 122.372 122.372 122.193 0.179 17613 8773 1 12 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.082 0.200 17613 8774 1 12 . 1 1 127 127 LEU C C 127 177.990 177.990 179.345 -1.355 17613 8775 1 12 . 1 1 127 127 LEU CA C 127 56.217 56.217 57.804 -1.587 17613 8776 1 12 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.809 0.264 17613 8777 1 12 . 1 1 127 127 LEU H H 127 7.882 7.882 7.715 0.167 17613 8778 1 12 . 1 1 128 128 GLU N N 128 119.775 119.775 118.027 1.748 17613 8779 1 12 . 1 1 128 128 GLU HA H 128 3.908 3.908 3.956 -0.048 17613 8780 1 12 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.370 -0.759 17613 8781 1 12 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.419 0.411 17613 8782 1 12 . 1 1 128 128 GLU H H 128 8.084 8.084 7.973 0.111 17613 8783 1 12 . 1 1 131 131 HIS N N 131 125.272 125.272 121.292 3.980 17613 8784 1 12 . 1 1 131 131 HIS H H 131 8.059 8.059 7.786 0.273 17613 8785 1 13 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.573 0.253 17613 8786 1 13 . 1 1 3 3 ILE C C 3 173.405 173.405 175.379 -1.974 17613 8787 1 13 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.423 -0.867 17613 8788 1 13 . 1 1 3 3 ILE CB C 3 40.508 40.508 38.791 1.716 17613 8789 1 13 . 1 1 3 3 ILE H H 3 8.444 8.444 8.402 0.042 17613 8790 1 13 . 1 1 4 4 LEU N N 4 127.785 127.785 127.293 0.492 17613 8791 1 13 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.082 0.377 17613 8792 1 13 . 1 1 4 4 LEU C C 4 174.832 174.832 176.231 -1.399 17613 8793 1 13 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.310 0.030 17613 8794 1 13 . 1 1 4 4 LEU CB C 4 45.313 45.313 44.476 0.837 17613 8795 1 13 . 1 1 4 4 LEU H H 4 9.081 9.081 8.486 0.595 17613 8796 1 13 . 1 1 5 5 ILE N N 5 123.010 123.010 123.219 -0.209 17613 8797 1 13 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.554 0.279 17613 8798 1 13 . 1 1 5 5 ILE C C 5 173.357 173.357 174.624 -1.267 17613 8799 1 13 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.100 1.444 17613 8800 1 13 . 1 1 5 5 ILE CB C 5 39.532 39.532 37.228 2.304 17613 8801 1 13 . 1 1 5 5 ILE H H 5 8.765 8.765 8.215 0.550 17613 8802 1 13 . 1 1 6 6 LEU N N 6 129.320 129.320 130.136 -0.816 17613 8803 1 13 . 1 1 6 6 LEU HA H 6 5.346 5.346 4.571 0.775 17613 8804 1 13 . 1 1 6 6 LEU C C 6 174.795 174.795 174.680 0.115 17613 8805 1 13 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.642 -0.642 17613 8806 1 13 . 1 1 6 6 LEU CB C 6 44.528 44.528 42.106 2.422 17613 8807 1 13 . 1 1 6 6 LEU H H 6 9.235 9.235 8.482 0.753 17613 8808 1 13 . 1 1 7 7 ILE N N 7 120.746 120.746 126.734 -5.988 17613 8809 1 13 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.529 0.652 17613 8810 1 13 . 1 1 7 7 ILE C C 7 173.819 173.819 174.047 -0.228 17613 8811 1 13 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.384 -2.169 17613 8812 1 13 . 1 1 7 7 ILE CB C 7 40.154 40.154 40.592 -0.438 17613 8813 1 13 . 1 1 7 7 ILE H H 7 8.931 8.931 8.958 -0.027 17613 8814 1 13 . 1 1 8 8 ASN N N 8 125.539 125.539 125.717 -0.178 17613 8815 1 13 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.778 0.124 17613 8816 1 13 . 1 1 8 8 ASN C C 8 176.478 176.478 173.687 2.791 17613 8817 1 13 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.859 -0.755 17613 8818 1 13 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.602 0.980 17613 8819 1 13 . 1 1 8 8 ASN H H 8 8.634 8.634 8.768 -0.134 17613 8820 1 13 . 1 1 9 9 THR N N 9 118.493 118.493 120.779 -2.286 17613 8821 1 13 . 1 1 9 9 THR HA H 9 4.739 4.739 4.912 -0.173 17613 8822 1 13 . 1 1 9 9 THR C C 9 170.114 170.114 174.558 -4.444 17613 8823 1 13 . 1 1 9 9 THR CA C 9 60.689 60.689 59.200 1.489 17613 8824 1 13 . 1 1 9 9 THR CB C 9 67.766 67.766 70.682 -2.916 17613 8825 1 13 . 1 1 9 9 THR H H 9 8.044 8.044 8.098 -0.054 17613 8826 1 13 . 1 1 10 10 ASN N N 10 123.266 123.266 124.883 -1.617 17613 8827 1 13 . 1 1 10 10 ASN HA H 10 4.967 4.967 5.021 -0.054 17613 8828 1 13 . 1 1 10 10 ASN C C 10 174.601 174.601 175.273 -0.672 17613 8829 1 13 . 1 1 10 10 ASN CA C 10 51.844 51.844 53.787 -1.943 17613 8830 1 13 . 1 1 10 10 ASN CB C 10 39.316 39.316 38.970 0.346 17613 8831 1 13 . 1 1 10 10 ASN H H 10 8.440 8.440 8.533 -0.093 17613 8832 1 13 . 1 1 11 11 ASN N N 11 120.920 120.920 120.071 0.849 17613 8833 1 13 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.813 -0.120 17613 8834 1 13 . 1 1 11 11 ASN C C 11 174.333 174.333 174.784 -0.451 17613 8835 1 13 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.894 -0.458 17613 8836 1 13 . 1 1 11 11 ASN CB C 11 38.349 38.349 38.641 -0.292 17613 8837 1 13 . 1 1 11 11 ASN H H 11 8.366 8.366 7.690 0.676 17613 8838 1 13 . 1 1 12 12 ASP N N 12 126.315 126.315 125.186 1.129 17613 8839 1 13 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.257 0.016 17613 8840 1 13 . 1 1 12 12 ASP C C 12 178.089 178.089 177.855 0.234 17613 8841 1 13 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.709 -0.101 17613 8842 1 13 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.048 0.113 17613 8843 1 13 . 1 1 12 12 ASP H H 12 8.586 8.586 8.942 -0.356 17613 8844 1 13 . 1 1 13 13 GLU N N 13 119.325 119.325 119.040 0.285 17613 8845 1 13 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.118 -0.092 17613 8846 1 13 . 1 1 13 13 GLU C C 13 178.893 178.893 178.794 0.099 17613 8847 1 13 . 1 1 13 13 GLU CA C 13 59.006 59.006 58.885 0.121 17613 8848 1 13 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.342 -0.633 17613 8849 1 13 . 1 1 13 13 GLU H H 13 8.289 8.289 8.723 -0.434 17613 8850 1 13 . 1 1 14 14 LEU N N 14 121.683 121.683 119.166 2.517 17613 8851 1 13 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.164 -0.179 17613 8852 1 13 . 1 1 14 14 LEU C C 14 178.309 178.309 178.979 -0.670 17613 8853 1 13 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.601 -0.340 17613 8854 1 13 . 1 1 14 14 LEU CB C 14 40.105 40.105 41.032 -0.927 17613 8855 1 13 . 1 1 14 14 LEU H H 14 7.577 7.577 7.376 0.201 17613 8856 1 13 . 1 1 15 15 ILE N N 15 119.483 119.483 119.973 -0.490 17613 8857 1 13 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.569 -0.350 17613 8858 1 13 . 1 1 15 15 ILE C C 15 177.138 177.138 177.612 -0.474 17613 8859 1 13 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.517 1.073 17613 8860 1 13 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.579 -0.155 17613 8861 1 13 . 1 1 15 15 ILE H H 15 8.238 8.238 7.198 1.040 17613 8862 1 13 . 1 1 16 16 LYS N N 16 117.596 117.596 118.830 -1.234 17613 8863 1 13 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.988 -0.145 17613 8864 1 13 . 1 1 16 16 LYS C C 16 179.577 179.577 179.133 0.444 17613 8865 1 13 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.332 0.837 17613 8866 1 13 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.875 0.289 17613 8867 1 13 . 1 1 16 16 LYS H H 16 7.604 7.604 7.707 -0.103 17613 8868 1 13 . 1 1 17 17 LYS N N 17 118.832 118.832 120.104 -1.272 17613 8869 1 13 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.090 -0.098 17613 8870 1 13 . 1 1 17 17 LYS C C 17 179.380 179.380 178.836 0.544 17613 8871 1 13 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.407 0.433 17613 8872 1 13 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.504 0.561 17613 8873 1 13 . 1 1 17 17 LYS H H 17 7.583 7.583 7.589 -0.006 17613 8874 1 13 . 1 1 18 18 ILE N N 18 120.961 120.961 120.423 0.538 17613 8875 1 13 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.625 -0.253 17613 8876 1 13 . 1 1 18 18 ILE C C 18 176.967 176.967 177.843 -0.876 17613 8877 1 13 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.002 0.472 17613 8878 1 13 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.650 -0.094 17613 8879 1 13 . 1 1 18 18 ILE H H 18 8.785 8.785 7.959 0.826 17613 8880 1 13 . 1 1 19 19 LYS N N 19 118.324 118.324 119.081 -0.757 17613 8881 1 13 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.853 -0.173 17613 8882 1 13 . 1 1 19 19 LYS C C 19 177.746 177.746 178.992 -1.246 17613 8883 1 13 . 1 1 19 19 LYS CA C 19 60.853 60.853 60.078 0.775 17613 8884 1 13 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.073 0.253 17613 8885 1 13 . 1 1 19 19 LYS H H 19 8.532 8.532 8.410 0.122 17613 8886 1 13 . 1 1 20 20 LYS N N 20 116.284 116.284 118.882 -2.598 17613 8887 1 13 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.120 -0.033 17613 8888 1 13 . 1 1 20 20 LYS C C 20 178.406 178.406 179.125 -0.719 17613 8889 1 13 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.657 -0.118 17613 8890 1 13 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.954 0.027 17613 8891 1 13 . 1 1 20 20 LYS H H 20 7.303 7.303 7.643 -0.340 17613 8892 1 13 . 1 1 21 21 GLU N N 21 118.488 118.488 118.783 -0.295 17613 8893 1 13 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.045 -0.082 17613 8894 1 13 . 1 1 21 21 GLU C C 21 179.088 179.088 179.389 -0.301 17613 8895 1 13 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.142 -0.248 17613 8896 1 13 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.394 0.040 17613 8897 1 13 . 1 1 21 21 GLU H H 21 7.665 7.665 7.894 -0.229 17613 8898 1 13 . 1 1 22 22 VAL N N 22 109.032 109.032 113.963 -4.931 17613 8899 1 13 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.141 -0.009 17613 8900 1 13 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.828 -2.029 17613 8901 1 13 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.777 -1.948 17613 8902 1 13 . 1 1 22 22 VAL H H 22 8.037 8.037 7.813 0.224 17613 8903 1 13 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.552 0.165 17613 8904 1 13 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.502 3.306 17613 8905 1 13 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.672 -0.501 17613 8906 1 13 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.467 0.179 17613 8907 1 13 . 1 1 25 25 GLN C C 25 175.692 175.692 176.441 -0.749 17613 8908 1 13 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.662 0.356 17613 8909 1 13 . 1 1 26 26 GLY N N 26 106.368 106.368 106.556 -0.188 17613 8910 1 13 . 1 1 26 26 GLY C C 26 174.382 174.382 174.173 0.209 17613 8911 1 13 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.129 0.828 17613 8912 1 13 . 1 1 26 26 GLY H H 26 8.020 8.020 7.617 0.403 17613 8913 1 13 . 1 1 27 27 TYR N N 27 119.082 119.082 120.543 -1.461 17613 8914 1 13 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.526 -0.093 17613 8915 1 13 . 1 1 27 27 TYR C C 27 174.528 174.528 175.433 -0.905 17613 8916 1 13 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.995 0.059 17613 8917 1 13 . 1 1 27 27 TYR CB C 27 39.005 39.005 38.878 0.127 17613 8918 1 13 . 1 1 27 27 TYR H H 27 7.845 7.845 8.057 -0.212 17613 8919 1 13 . 1 1 28 28 GLN N N 28 120.362 120.362 123.211 -2.849 17613 8920 1 13 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.397 0.102 17613 8921 1 13 . 1 1 28 28 GLN C C 28 174.625 174.625 175.583 -0.958 17613 8922 1 13 . 1 1 28 28 GLN CA C 28 54.380 54.380 54.630 -0.250 17613 8923 1 13 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.667 1.788 17613 8924 1 13 . 1 1 28 28 GLN H H 28 8.338 8.338 8.435 -0.097 17613 8925 1 13 . 1 1 29 29 VAL N N 29 123.482 123.482 126.654 -3.172 17613 8926 1 13 . 1 1 29 29 VAL HA H 29 5.043 5.043 3.941 1.102 17613 8927 1 13 . 1 1 29 29 VAL C C 29 175.820 175.820 176.268 -0.448 17613 8928 1 13 . 1 1 29 29 VAL CA C 29 61.488 61.488 63.712 -2.224 17613 8929 1 13 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.748 0.725 17613 8930 1 13 . 1 1 29 29 VAL H H 29 8.776 8.776 8.540 0.236 17613 8931 1 13 . 1 1 30 30 ARG N N 30 127.787 127.787 128.871 -1.084 17613 8932 1 13 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.713 0.027 17613 8933 1 13 . 1 1 30 30 ARG C C 30 173.332 173.332 174.109 -0.777 17613 8934 1 13 . 1 1 30 30 ARG CA C 30 53.788 53.788 54.109 -0.321 17613 8935 1 13 . 1 1 30 30 ARG CB C 30 32.391 32.391 34.074 -1.683 17613 8936 1 13 . 1 1 30 30 ARG H H 30 9.135 9.135 9.018 0.117 17613 8937 1 13 . 1 1 31 31 ASP N N 31 121.895 121.895 123.253 -1.358 17613 8938 1 13 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.497 -0.287 17613 8939 1 13 . 1 1 31 31 ASP C C 31 175.282 175.282 175.728 -0.446 17613 8940 1 13 . 1 1 31 31 ASP CA C 31 53.370 53.370 53.053 0.317 17613 8941 1 13 . 1 1 31 31 ASP CB C 31 42.722 42.722 43.503 -0.781 17613 8942 1 13 . 1 1 31 31 ASP H H 31 8.377 8.377 8.477 -0.100 17613 8943 1 13 . 1 1 32 32 VAL N N 32 120.426 120.426 125.370 -4.944 17613 8944 1 13 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.324 -0.076 17613 8945 1 13 . 1 1 32 32 VAL C C 32 174.114 174.114 174.517 -0.403 17613 8946 1 13 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.491 0.066 17613 8947 1 13 . 1 1 32 32 VAL CB C 32 33.884 33.884 32.754 1.130 17613 8948 1 13 . 1 1 32 32 VAL H H 32 8.441 8.441 8.464 -0.023 17613 8949 1 13 . 1 1 33 33 ASN N N 33 122.700 122.700 121.882 0.818 17613 8950 1 13 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.851 0.126 17613 8951 1 13 . 1 1 33 33 ASN C C 33 174.235 174.235 174.121 0.114 17613 8952 1 13 . 1 1 33 33 ASN CA C 33 53.396 53.396 52.868 0.528 17613 8953 1 13 . 1 1 33 33 ASN CB C 33 40.869 40.869 39.812 1.056 17613 8954 1 13 . 1 1 33 33 ASN H H 33 9.550 9.550 8.828 0.722 17613 8955 1 13 . 1 1 34 34 ASP N N 34 114.885 114.885 118.604 -3.719 17613 8956 1 13 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.811 -0.108 17613 8957 1 13 . 1 1 34 34 ASP C C 34 175.626 175.626 176.426 -0.800 17613 8958 1 13 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.687 0.796 17613 8959 1 13 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.170 -0.774 17613 8960 1 13 . 1 1 34 34 ASP H H 34 7.616 7.616 7.372 0.244 17613 8961 1 13 . 1 1 35 35 SER N N 35 114.381 114.381 119.770 -5.389 17613 8962 1 13 . 1 1 35 35 SER HA H 35 4.046 4.046 4.183 -0.137 17613 8963 1 13 . 1 1 35 35 SER C C 35 175.991 175.991 176.306 -0.315 17613 8964 1 13 . 1 1 35 35 SER CA C 35 61.446 61.446 61.396 0.050 17613 8965 1 13 . 1 1 35 35 SER CB C 35 62.764 62.764 63.160 -0.396 17613 8966 1 13 . 1 1 35 35 SER H H 35 8.869 8.869 8.851 0.018 17613 8967 1 13 . 1 1 36 36 ASP N N 36 124.695 124.695 121.134 3.561 17613 8968 1 13 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.499 0.020 17613 8969 1 13 . 1 1 36 36 ASP C C 36 179.136 179.136 179.163 -0.027 17613 8970 1 13 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.510 0.158 17613 8971 1 13 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.642 -0.358 17613 8972 1 13 . 1 1 36 36 ASP H H 36 8.388 8.388 7.904 0.484 17613 8973 1 13 . 1 1 37 37 GLU N N 37 122.449 122.449 120.864 1.585 17613 8974 1 13 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.062 -0.003 17613 8975 1 13 . 1 1 37 37 GLU C C 37 178.698 178.698 178.642 0.056 17613 8976 1 13 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.912 0.297 17613 8977 1 13 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.340 0.381 17613 8978 1 13 . 1 1 37 37 GLU H H 37 9.009 9.009 7.961 1.048 17613 8979 1 13 . 1 1 38 38 LEU N N 38 119.580 119.580 122.046 -2.466 17613 8980 1 13 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.940 -0.029 17613 8981 1 13 . 1 1 38 38 LEU C C 38 177.649 177.649 178.299 -0.650 17613 8982 1 13 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.675 0.458 17613 8983 1 13 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.987 -0.918 17613 8984 1 13 . 1 1 38 38 LEU H H 38 8.203 8.203 7.799 0.404 17613 8985 1 13 . 1 1 39 39 LYS N N 39 118.404 118.404 117.977 0.427 17613 8986 1 13 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.889 -0.048 17613 8987 1 13 . 1 1 39 39 LYS C C 39 179.577 179.577 179.286 0.291 17613 8988 1 13 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.909 -0.043 17613 8989 1 13 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.158 -0.110 17613 8990 1 13 . 1 1 39 39 LYS H H 39 7.829 7.829 8.211 -0.382 17613 8991 1 13 . 1 1 40 40 LYS N N 40 119.271 119.271 119.252 0.019 17613 8992 1 13 . 1 1 40 40 LYS HA H 40 4.022 4.022 3.950 0.072 17613 8993 1 13 . 1 1 40 40 LYS C C 40 179.577 179.577 178.765 0.812 17613 8994 1 13 . 1 1 40 40 LYS CA C 40 59.590 59.590 60.084 -0.494 17613 8995 1 13 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.540 -0.140 17613 8996 1 13 . 1 1 40 40 LYS H H 40 7.779 7.779 7.813 -0.034 17613 8997 1 13 . 1 1 41 41 GLU N N 41 119.647 119.647 117.694 1.953 17613 8998 1 13 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.152 0.111 17613 8999 1 13 . 1 1 41 41 GLU C C 41 179.504 179.504 179.004 0.500 17613 9000 1 13 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.714 -0.640 17613 9001 1 13 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.020 -0.774 17613 9002 1 13 . 1 1 41 41 GLU H H 41 8.721 8.721 7.849 0.872 17613 9003 1 13 . 1 1 42 42 MET N N 42 118.114 118.114 119.881 -1.767 17613 9004 1 13 . 1 1 42 42 MET HA H 42 4.383 4.383 4.274 0.109 17613 9005 1 13 . 1 1 42 42 MET C C 42 179.185 179.185 178.556 0.629 17613 9006 1 13 . 1 1 42 42 MET CA C 42 57.054 57.054 57.589 -0.535 17613 9007 1 13 . 1 1 42 42 MET CB C 42 31.254 31.254 31.774 -0.520 17613 9008 1 13 . 1 1 42 42 MET H H 42 8.779 8.779 8.320 0.459 17613 9009 1 13 . 1 1 43 43 LYS N N 43 120.740 120.740 119.277 1.463 17613 9010 1 13 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.053 0.035 17613 9011 1 13 . 1 1 43 43 LYS C C 43 178.187 178.187 179.325 -1.138 17613 9012 1 13 . 1 1 43 43 LYS CA C 43 59.390 59.390 58.748 0.642 17613 9013 1 13 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.922 0.040 17613 9014 1 13 . 1 1 43 43 LYS H H 43 7.499 7.499 7.628 -0.129 17613 9015 1 13 . 1 1 44 44 LYS N N 44 118.269 118.269 119.032 -0.763 17613 9016 1 13 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.258 -0.197 17613 9017 1 13 . 1 1 44 44 LYS C C 44 179.601 179.601 179.005 0.596 17613 9018 1 13 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.361 1.139 17613 9019 1 13 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.896 0.174 17613 9020 1 13 . 1 1 44 44 LYS H H 44 7.445 7.445 7.527 -0.082 17613 9021 1 13 . 1 1 45 45 LEU N N 45 117.785 117.785 118.618 -0.833 17613 9022 1 13 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.137 0.011 17613 9023 1 13 . 1 1 45 45 LEU C C 45 178.357 178.357 178.945 -0.588 17613 9024 1 13 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.974 -0.787 17613 9025 1 13 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.597 0.176 17613 9026 1 13 . 1 1 45 45 LEU H H 45 8.161 8.161 7.685 0.476 17613 9027 1 13 . 1 1 46 46 ALA N N 46 118.538 118.538 116.667 1.871 17613 9028 1 13 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.388 -0.136 17613 9029 1 13 . 1 1 46 46 ALA C C 46 178.893 178.893 178.220 0.673 17613 9030 1 13 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.350 0.322 17613 9031 1 13 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.972 -0.090 17613 9032 1 13 . 1 1 46 46 ALA H H 46 7.637 7.637 7.558 0.079 17613 9033 1 13 . 1 1 47 47 GLU N N 47 115.492 115.492 118.075 -2.583 17613 9034 1 13 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.284 -0.034 17613 9035 1 13 . 1 1 47 47 GLU C C 47 176.478 176.478 177.612 -1.134 17613 9036 1 13 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.736 -0.805 17613 9037 1 13 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.640 -0.223 17613 9038 1 13 . 1 1 47 47 GLU H H 47 7.713 7.713 7.803 -0.090 17613 9039 1 13 . 1 1 48 48 GLU N N 48 120.573 120.573 120.031 0.542 17613 9040 1 13 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.569 -0.196 17613 9041 1 13 . 1 1 48 48 GLU C C 48 173.624 173.624 175.850 -2.226 17613 9042 1 13 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.128 0.893 17613 9043 1 13 . 1 1 48 48 GLU CB C 48 29.910 29.910 28.176 1.734 17613 9044 1 13 . 1 1 48 48 GLU H H 48 7.748 7.748 8.370 -0.622 17613 9045 1 13 . 1 1 49 49 LYS N N 49 124.420 124.420 122.782 1.638 17613 9046 1 13 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.359 -0.041 17613 9047 1 13 . 1 1 49 49 LYS C C 49 176.843 176.843 175.920 0.923 17613 9048 1 13 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.377 0.140 17613 9049 1 13 . 1 1 49 49 LYS CB C 49 32.462 32.462 31.874 0.588 17613 9050 1 13 . 1 1 49 49 LYS H H 49 8.607 8.607 7.951 0.656 17613 9051 1 13 . 1 1 50 50 ASN N N 50 117.993 117.993 117.798 0.195 17613 9052 1 13 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.604 0.020 17613 9053 1 13 . 1 1 50 50 ASN C C 50 176.454 176.454 175.501 0.953 17613 9054 1 13 . 1 1 50 50 ASN CA C 50 53.555 53.555 52.717 0.838 17613 9055 1 13 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.663 0.373 17613 9056 1 13 . 1 1 50 50 ASN H H 50 8.723 8.723 7.871 0.852 17613 9057 1 13 . 1 1 51 51 PHE N N 51 120.700 120.700 118.713 1.987 17613 9058 1 13 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.979 -0.221 17613 9059 1 13 . 1 1 51 51 PHE CA C 51 57.935 57.935 56.646 1.289 17613 9060 1 13 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.990 -0.015 17613 9061 1 13 . 1 1 51 51 PHE H H 51 8.341 8.341 8.695 -0.354 17613 9062 1 13 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.439 -0.181 17613 9063 1 13 . 1 1 52 52 GLU C C 52 173.600 173.600 175.704 -2.104 17613 9064 1 13 . 1 1 52 52 GLU CA C 52 56.254 56.254 54.976 1.278 17613 9065 1 13 . 1 1 52 52 GLU CB C 52 33.459 33.459 30.343 3.116 17613 9066 1 13 . 1 1 53 53 LYS N N 53 119.964 119.964 124.649 -4.685 17613 9067 1 13 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.470 0.219 17613 9068 1 13 . 1 1 53 53 LYS C C 53 174.430 174.430 175.947 -1.517 17613 9069 1 13 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.611 -0.255 17613 9070 1 13 . 1 1 53 53 LYS CB C 53 31.445 31.445 32.622 -1.177 17613 9071 1 13 . 1 1 53 53 LYS H H 53 7.962 7.962 8.467 -0.505 17613 9072 1 13 . 1 1 54 54 ILE N N 54 124.730 124.730 125.455 -0.725 17613 9073 1 13 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.308 0.538 17613 9074 1 13 . 1 1 54 54 ILE C C 54 173.089 173.089 174.880 -1.791 17613 9075 1 13 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.815 0.449 17613 9076 1 13 . 1 1 54 54 ILE CB C 54 41.953 41.953 37.708 4.245 17613 9077 1 13 . 1 1 54 54 ILE H H 54 8.804 8.804 8.035 0.769 17613 9078 1 13 . 1 1 55 55 LEU N N 55 130.086 130.086 130.422 -0.336 17613 9079 1 13 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.889 0.752 17613 9080 1 13 . 1 1 55 55 LEU C C 55 174.430 174.430 175.176 -0.746 17613 9081 1 13 . 1 1 55 55 LEU CA C 55 53.502 53.502 54.087 -0.586 17613 9082 1 13 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.045 1.157 17613 9083 1 13 . 1 1 55 55 LEU H H 55 9.103 9.103 8.464 0.639 17613 9084 1 13 . 1 1 56 56 ILE N N 56 125.983 125.983 126.382 -0.399 17613 9085 1 13 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.489 0.568 17613 9086 1 13 . 1 1 56 56 ILE C C 56 174.089 174.089 174.974 -0.885 17613 9087 1 13 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.899 0.211 17613 9088 1 13 . 1 1 56 56 ILE CB C 56 39.823 39.823 39.052 0.771 17613 9089 1 13 . 1 1 56 56 ILE H H 56 9.182 9.182 8.546 0.636 17613 9090 1 13 . 1 1 57 57 ILE N N 57 127.241 127.241 126.628 0.613 17613 9091 1 13 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.003 -0.091 17613 9092 1 13 . 1 1 57 57 ILE C C 57 174.869 174.869 174.748 0.121 17613 9093 1 13 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.008 -0.753 17613 9094 1 13 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.755 -1.804 17613 9095 1 13 . 1 1 57 57 ILE H H 57 8.541 8.541 8.665 -0.124 17613 9096 1 13 . 1 1 58 58 SER N N 58 119.270 119.270 120.626 -1.356 17613 9097 1 13 . 1 1 58 58 SER HA H 58 5.007 5.007 5.194 -0.187 17613 9098 1 13 . 1 1 58 58 SER C C 58 174.211 174.211 173.291 0.920 17613 9099 1 13 . 1 1 58 58 SER CA C 58 56.727 56.727 56.417 0.310 17613 9100 1 13 . 1 1 58 58 SER CB C 58 66.615 66.615 65.960 0.655 17613 9101 1 13 . 1 1 58 58 SER H H 58 8.810 8.810 8.396 0.414 17613 9102 1 13 . 1 1 59 59 ASN N N 59 122.382 122.382 124.741 -2.359 17613 9103 1 13 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.059 -0.348 17613 9104 1 13 . 1 1 59 59 ASN C C 59 174.795 174.795 175.138 -0.343 17613 9105 1 13 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.820 -1.313 17613 9106 1 13 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.803 -0.841 17613 9107 1 13 . 1 1 59 59 ASN H H 59 8.794 8.794 9.004 -0.210 17613 9108 1 13 . 1 1 60 60 ASP N N 60 119.744 119.744 119.745 -0.001 17613 9109 1 13 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.691 0.172 17613 9110 1 13 . 1 1 60 60 ASP C C 60 176.015 176.015 177.160 -1.145 17613 9111 1 13 . 1 1 60 60 ASP CA C 60 53.097 53.097 53.141 -0.044 17613 9112 1 13 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.548 0.401 17613 9113 1 13 . 1 1 60 60 ASP H H 60 7.857 7.857 7.537 0.320 17613 9114 1 13 . 1 1 61 61 LYS N N 61 125.818 125.818 125.729 0.089 17613 9115 1 13 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.003 -0.281 17613 9116 1 13 . 1 1 61 61 LYS C C 61 177.673 177.673 178.860 -1.187 17613 9117 1 13 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.436 0.196 17613 9118 1 13 . 1 1 61 61 LYS CB C 61 31.518 31.518 31.889 -0.371 17613 9119 1 13 . 1 1 61 61 LYS H H 61 8.904 8.904 8.581 0.323 17613 9120 1 13 . 1 1 62 62 GLN N N 62 118.918 118.918 119.317 -0.399 17613 9121 1 13 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.158 -0.053 17613 9122 1 13 . 1 1 62 62 GLN C C 62 178.747 178.747 178.166 0.581 17613 9123 1 13 . 1 1 62 62 GLN CA C 62 58.301 58.301 59.386 -1.085 17613 9124 1 13 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.291 -0.843 17613 9125 1 13 . 1 1 62 62 GLN H H 62 8.434 8.434 8.455 -0.021 17613 9126 1 13 . 1 1 63 63 LEU N N 63 120.071 120.071 120.135 -0.064 17613 9127 1 13 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.990 0.144 17613 9128 1 13 . 1 1 63 63 LEU C C 63 178.552 178.552 178.924 -0.372 17613 9129 1 13 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.621 -0.978 17613 9130 1 13 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.790 -0.896 17613 9131 1 13 . 1 1 63 63 LEU H H 63 7.671 7.671 8.152 -0.481 17613 9132 1 13 . 1 1 64 64 LEU N N 64 117.705 117.705 120.185 -2.480 17613 9133 1 13 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.910 -0.003 17613 9134 1 13 . 1 1 64 64 LEU C C 64 172.526 172.526 178.542 -6.016 17613 9135 1 13 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.305 -0.527 17613 9136 1 13 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.904 -0.554 17613 9137 1 13 . 1 1 64 64 LEU H H 64 7.626 7.626 7.640 -0.014 17613 9138 1 13 . 1 1 65 65 LYS N N 65 118.311 118.311 118.856 -0.545 17613 9139 1 13 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.897 -0.103 17613 9140 1 13 . 1 1 65 65 LYS C C 65 178.479 178.479 179.160 -0.681 17613 9141 1 13 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.122 0.104 17613 9142 1 13 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.252 0.014 17613 9143 1 13 . 1 1 65 65 LYS H H 65 8.038 8.038 7.888 0.150 17613 9144 1 13 . 1 1 66 66 GLU N N 66 119.362 119.362 118.789 0.573 17613 9145 1 13 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.068 -0.042 17613 9146 1 13 . 1 1 66 66 GLU C C 66 178.893 178.893 179.051 -0.158 17613 9147 1 13 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.781 0.338 17613 9148 1 13 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.235 0.027 17613 9149 1 13 . 1 1 66 66 GLU H H 66 7.803 7.803 7.859 -0.056 17613 9150 1 13 . 1 1 67 67 MET N N 67 118.398 118.398 120.779 -2.381 17613 9151 1 13 . 1 1 67 67 MET HA H 67 3.948 3.948 4.097 -0.149 17613 9152 1 13 . 1 1 67 67 MET C C 67 177.527 177.527 178.464 -0.937 17613 9153 1 13 . 1 1 67 67 MET CA C 67 59.963 59.963 59.325 0.638 17613 9154 1 13 . 1 1 67 67 MET CB C 67 33.443 33.443 32.736 0.707 17613 9155 1 13 . 1 1 67 67 MET H H 67 8.394 8.394 8.271 0.123 17613 9156 1 13 . 1 1 68 68 LEU N N 68 118.269 118.269 118.116 0.153 17613 9157 1 13 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.800 -0.021 17613 9158 1 13 . 1 1 68 68 LEU C C 68 178.869 178.869 179.445 -0.576 17613 9159 1 13 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.660 0.281 17613 9160 1 13 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.403 -0.528 17613 9161 1 13 . 1 1 68 68 LEU H H 68 8.471 8.471 7.923 0.548 17613 9162 1 13 . 1 1 69 69 GLU N N 69 118.681 118.681 118.914 -0.233 17613 9163 1 13 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.063 -0.008 17613 9164 1 13 . 1 1 69 69 GLU C C 69 179.063 179.063 179.191 -0.128 17613 9165 1 13 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.411 0.013 17613 9166 1 13 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.701 -0.561 17613 9167 1 13 . 1 1 69 69 GLU H H 69 7.627 7.627 7.908 -0.281 17613 9168 1 13 . 1 1 70 70 LEU N N 70 119.503 119.503 120.591 -1.088 17613 9169 1 13 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.058 0.103 17613 9170 1 13 . 1 1 70 70 LEU C C 70 179.699 179.699 179.287 0.412 17613 9171 1 13 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.790 -0.016 17613 9172 1 13 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.097 -0.153 17613 9173 1 13 . 1 1 70 70 LEU H H 70 7.717 7.717 7.871 -0.154 17613 9174 1 13 . 1 1 71 71 ILE N N 71 116.791 116.791 118.483 -1.692 17613 9175 1 13 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.770 -0.033 17613 9176 1 13 . 1 1 71 71 ILE C C 71 178.357 178.357 178.158 0.199 17613 9177 1 13 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.180 -0.938 17613 9178 1 13 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.741 0.160 17613 9179 1 13 . 1 1 71 71 ILE H H 71 8.598 8.598 8.417 0.181 17613 9180 1 13 . 1 1 72 72 SER N N 72 116.517 116.517 116.192 0.325 17613 9181 1 13 . 1 1 72 72 SER HA H 72 4.365 4.365 4.267 0.098 17613 9182 1 13 . 1 1 72 72 SER C C 72 176.845 176.845 175.937 0.908 17613 9183 1 13 . 1 1 72 72 SER CA C 72 61.365 61.365 61.148 0.217 17613 9184 1 13 . 1 1 72 72 SER CB C 72 62.780 62.780 63.059 -0.279 17613 9185 1 13 . 1 1 72 72 SER H H 72 8.023 8.023 8.058 -0.035 17613 9186 1 13 . 1 1 73 73 LYS N N 73 120.731 120.731 119.845 0.886 17613 9187 1 13 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.138 0.153 17613 9188 1 13 . 1 1 73 73 LYS C C 73 177.771 177.771 177.654 0.117 17613 9189 1 13 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.962 -0.486 17613 9190 1 13 . 1 1 73 73 LYS CB C 73 32.146 32.146 31.763 0.383 17613 9191 1 13 . 1 1 73 73 LYS H H 73 7.723 7.723 7.514 0.209 17613 9192 1 13 . 1 1 74 74 LEU N N 74 117.572 117.572 117.572 0.000 17613 9193 1 13 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.409 -0.182 17613 9194 1 13 . 1 1 74 74 LEU C C 74 177.332 177.332 177.403 -0.071 17613 9195 1 13 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.168 0.031 17613 9196 1 13 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.635 -1.149 17613 9197 1 13 . 1 1 74 74 LEU H H 74 7.609 7.609 7.430 0.179 17613 9198 1 13 . 1 1 75 75 GLY N N 75 105.991 105.991 106.962 -0.971 17613 9199 1 13 . 1 1 75 75 GLY C C 75 174.771 174.771 173.281 1.490 17613 9200 1 13 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.071 0.771 17613 9201 1 13 . 1 1 75 75 GLY H H 75 7.925 7.925 7.926 -0.001 17613 9202 1 13 . 1 1 76 76 TYR N N 76 118.452 118.452 120.264 -1.812 17613 9203 1 13 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.762 0.016 17613 9204 1 13 . 1 1 76 76 TYR C C 76 175.234 175.234 175.188 0.046 17613 9205 1 13 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.065 -0.561 17613 9206 1 13 . 1 1 76 76 TYR CB C 76 37.962 37.962 41.175 -3.213 17613 9207 1 13 . 1 1 76 76 TYR H H 76 7.366 7.366 7.594 -0.228 17613 9208 1 13 . 1 1 77 77 LYS N N 77 122.866 122.866 124.258 -1.392 17613 9209 1 13 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.370 0.178 17613 9210 1 13 . 1 1 77 77 LYS C C 77 174.138 174.138 175.204 -1.066 17613 9211 1 13 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.948 -0.878 17613 9212 1 13 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.796 0.421 17613 9213 1 13 . 1 1 77 77 LYS H H 77 8.290 8.290 8.952 -0.662 17613 9214 1 13 . 1 1 78 78 VAL N N 78 124.071 124.071 126.795 -2.724 17613 9215 1 13 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.085 0.081 17613 9216 1 13 . 1 1 78 78 VAL C C 78 174.162 174.162 174.776 -0.614 17613 9217 1 13 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.966 -0.737 17613 9218 1 13 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.691 0.664 17613 9219 1 13 . 1 1 78 78 VAL H H 78 7.830 7.830 8.109 -0.279 17613 9220 1 13 . 1 1 79 79 PHE N N 79 126.174 126.174 125.648 0.526 17613 9221 1 13 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.486 0.081 17613 9222 1 13 . 1 1 79 79 PHE C C 79 173.357 173.357 174.141 -0.784 17613 9223 1 13 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.873 -0.920 17613 9224 1 13 . 1 1 79 79 PHE CB C 79 40.184 40.184 39.915 0.269 17613 9225 1 13 . 1 1 79 79 PHE H H 79 8.374 8.374 8.489 -0.115 17613 9226 1 13 . 1 1 80 80 LEU N N 80 123.959 123.959 126.003 -2.044 17613 9227 1 13 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.166 0.380 17613 9228 1 13 . 1 1 80 80 LEU C C 80 173.503 173.503 174.693 -1.190 17613 9229 1 13 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.228 0.770 17613 9230 1 13 . 1 1 80 80 LEU CB C 80 45.667 45.667 44.790 0.877 17613 9231 1 13 . 1 1 80 80 LEU H H 80 8.601 8.601 8.567 0.034 17613 9232 1 13 . 1 1 81 81 LEU N N 81 126.694 126.694 128.038 -1.344 17613 9233 1 13 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.123 0.146 17613 9234 1 13 . 1 1 81 81 LEU C C 81 173.649 173.649 174.525 -0.876 17613 9235 1 13 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.410 -0.346 17613 9236 1 13 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.837 -0.060 17613 9237 1 13 . 1 1 81 81 LEU H H 81 9.063 9.063 8.744 0.319 17613 9238 1 13 . 1 1 82 82 LEU N N 82 124.888 124.888 127.424 -2.536 17613 9239 1 13 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.878 0.033 17613 9240 1 13 . 1 1 82 82 LEU C C 82 174.479 174.479 174.913 -0.434 17613 9241 1 13 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.817 -0.682 17613 9242 1 13 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.236 0.986 17613 9243 1 13 . 1 1 82 82 LEU H H 82 8.864 8.864 8.651 0.213 17613 9244 1 13 . 1 1 83 83 GLN N N 83 122.153 122.153 125.135 -2.982 17613 9245 1 13 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.015 0.245 17613 9246 1 13 . 1 1 83 83 GLN C C 83 174.333 174.333 174.433 -0.100 17613 9247 1 13 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.407 0.179 17613 9248 1 13 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.495 -0.625 17613 9249 1 13 . 1 1 83 83 GLN H H 83 8.437 8.437 8.886 -0.449 17613 9250 1 13 . 1 1 84 84 ASP N N 84 124.451 124.451 126.904 -2.453 17613 9251 1 13 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.947 -0.445 17613 9252 1 13 . 1 1 84 84 ASP C C 84 174.308 174.308 175.863 -1.555 17613 9253 1 13 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.959 0.056 17613 9254 1 13 . 1 1 84 84 ASP CB C 84 43.771 43.771 43.557 0.214 17613 9255 1 13 . 1 1 84 84 ASP H H 84 8.205 8.205 8.281 -0.076 17613 9256 1 13 . 1 1 85 85 GLN N N 85 120.202 120.202 122.127 -1.925 17613 9257 1 13 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.112 0.222 17613 9258 1 13 . 1 1 85 85 GLN C C 85 175.431 175.431 175.519 -0.088 17613 9259 1 13 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.907 -1.312 17613 9260 1 13 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.341 -0.007 17613 9261 1 13 . 1 1 85 85 GLN H H 85 8.617 8.617 8.718 -0.101 17613 9262 1 13 . 1 1 86 86 ASP N N 86 120.508 120.508 120.215 0.293 17613 9263 1 13 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.787 -0.102 17613 9264 1 13 . 1 1 86 86 ASP C C 86 175.747 175.747 176.044 -0.297 17613 9265 1 13 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.892 -0.380 17613 9266 1 13 . 1 1 86 86 ASP CB C 86 40.957 40.957 41.280 -0.323 17613 9267 1 13 . 1 1 86 86 ASP H H 86 8.691 8.691 8.198 0.493 17613 9268 1 13 . 1 1 87 87 GLU N N 87 123.604 123.604 123.454 0.150 17613 9269 1 13 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.102 -0.067 17613 9270 1 13 . 1 1 87 87 GLU C C 87 177.771 177.771 177.509 0.262 17613 9271 1 13 . 1 1 87 87 GLU CA C 87 58.522 58.522 58.667 -0.145 17613 9272 1 13 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.786 -0.211 17613 9273 1 13 . 1 1 87 87 GLU H H 87 8.642 8.642 8.951 -0.309 17613 9274 1 13 . 1 1 88 88 ASN N N 88 118.838 118.838 119.101 -0.263 17613 9275 1 13 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.550 0.011 17613 9276 1 13 . 1 1 88 88 ASN C C 88 177.089 177.089 177.523 -0.434 17613 9277 1 13 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.073 -0.431 17613 9278 1 13 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.569 0.598 17613 9279 1 13 . 1 1 88 88 ASN H H 88 8.527 8.527 8.642 -0.115 17613 9280 1 13 . 1 1 89 89 GLU N N 89 120.947 120.947 119.981 0.966 17613 9281 1 13 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.189 -0.042 17613 9282 1 13 . 1 1 89 89 GLU C C 89 178.357 178.357 179.003 -0.646 17613 9283 1 13 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.402 -0.151 17613 9284 1 13 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.188 0.056 17613 9285 1 13 . 1 1 89 89 GLU H H 89 8.221 8.221 7.724 0.497 17613 9286 1 13 . 1 1 90 90 LEU N N 90 119.582 119.582 121.610 -2.028 17613 9287 1 13 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.225 -0.020 17613 9288 1 13 . 1 1 90 90 LEU C C 90 177.917 177.917 178.750 -0.833 17613 9289 1 13 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.777 -0.833 17613 9290 1 13 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.844 0.612 17613 9291 1 13 . 1 1 90 90 LEU H H 90 8.047 8.047 8.237 -0.190 17613 9292 1 13 . 1 1 91 91 GLU N N 91 119.029 119.029 118.686 0.343 17613 9293 1 13 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.022 0.051 17613 9294 1 13 . 1 1 91 91 GLU C C 91 178.284 178.284 178.801 -0.517 17613 9295 1 13 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.353 -0.224 17613 9296 1 13 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.070 -0.100 17613 9297 1 13 . 1 1 91 91 GLU H H 91 7.940 7.940 7.764 0.176 17613 9298 1 13 . 1 1 92 92 GLU N N 92 118.667 118.667 119.157 -0.490 17613 9299 1 13 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.046 -0.014 17613 9300 1 13 . 1 1 92 92 GLU C C 92 178.103 178.103 179.315 -1.212 17613 9301 1 13 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.332 -0.080 17613 9302 1 13 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.383 -0.451 17613 9303 1 13 . 1 1 92 92 GLU H H 92 8.088 8.088 7.708 0.380 17613 9304 1 13 . 1 1 93 93 PHE N N 93 120.118 120.118 119.394 0.724 17613 9305 1 13 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.321 0.019 17613 9306 1 13 . 1 1 93 93 PHE C C 93 176.894 176.894 177.263 -0.369 17613 9307 1 13 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.877 0.568 17613 9308 1 13 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.472 -0.485 17613 9309 1 13 . 1 1 93 93 PHE H H 93 8.103 8.103 7.814 0.289 17613 9310 1 13 . 1 1 94 94 LYS N N 94 118.941 118.941 121.021 -2.080 17613 9311 1 13 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.811 -0.194 17613 9312 1 13 . 1 1 94 94 LYS C C 94 177.600 177.600 178.488 -0.888 17613 9313 1 13 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.987 0.089 17613 9314 1 13 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.634 -0.169 17613 9315 1 13 . 1 1 94 94 LYS H H 94 8.606 8.606 8.116 0.490 17613 9316 1 13 . 1 1 95 95 ARG N N 95 117.194 117.194 117.115 0.079 17613 9317 1 13 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.061 0.089 17613 9318 1 13 . 1 1 95 95 ARG C C 95 179.404 179.404 178.809 0.595 17613 9319 1 13 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.842 0.261 17613 9320 1 13 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.748 0.071 17613 9321 1 13 . 1 1 95 95 ARG H H 95 8.159 8.159 8.033 0.126 17613 9322 1 13 . 1 1 96 96 LYS N N 96 119.582 119.582 120.114 -0.532 17613 9323 1 13 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.056 0.009 17613 9324 1 13 . 1 1 96 96 LYS C C 96 179.034 179.034 179.086 -0.052 17613 9325 1 13 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.058 -0.124 17613 9326 1 13 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.178 -0.109 17613 9327 1 13 . 1 1 96 96 LYS H H 96 7.786 7.786 7.505 0.281 17613 9328 1 13 . 1 1 97 97 ILE N N 97 118.550 118.550 117.929 0.621 17613 9329 1 13 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.052 -0.114 17613 9330 1 13 . 1 1 97 97 ILE C C 97 178.284 178.284 177.047 1.237 17613 9331 1 13 . 1 1 97 97 ILE CA C 97 62.569 62.569 62.675 -0.106 17613 9332 1 13 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.828 -0.622 17613 9333 1 13 . 1 1 97 97 ILE H H 97 7.831 7.831 7.468 0.363 17613 9334 1 13 . 1 1 98 98 GLU N N 98 121.984 121.984 121.235 0.749 17613 9335 1 13 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.000 0.336 17613 9336 1 13 . 1 1 98 98 GLU C C 98 180.040 180.040 178.903 1.137 17613 9337 1 13 . 1 1 98 98 GLU CA C 98 58.950 58.950 59.055 -0.105 17613 9338 1 13 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.180 0.255 17613 9339 1 13 . 1 1 98 98 GLU H H 98 8.670 8.670 8.071 0.599 17613 9340 1 13 . 1 1 99 99 SER N N 99 115.499 115.499 113.037 2.462 17613 9341 1 13 . 1 1 99 99 SER HA H 99 4.343 4.343 4.303 0.040 17613 9342 1 13 . 1 1 99 99 SER C C 99 174.820 174.820 175.713 -0.893 17613 9343 1 13 . 1 1 99 99 SER CA C 99 60.410 60.410 59.833 0.577 17613 9344 1 13 . 1 1 99 99 SER CB C 99 62.680 62.680 62.941 -0.260 17613 9345 1 13 . 1 1 99 99 SER H H 99 8.099 8.099 7.811 0.288 17613 9346 1 13 . 1 1 100 100 GLN N N 100 119.301 119.301 118.448 0.853 17613 9347 1 13 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.218 0.092 17613 9348 1 13 . 1 1 100 100 GLN C C 100 175.857 175.857 176.028 -0.171 17613 9349 1 13 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.898 0.028 17613 9350 1 13 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.538 0.674 17613 9351 1 13 . 1 1 100 100 GLN H H 100 7.623 7.623 7.301 0.322 17613 9352 1 13 . 1 1 101 101 GLY N N 101 105.765 105.765 105.687 0.078 17613 9353 1 13 . 1 1 101 101 GLY C C 101 173.748 173.748 174.772 -1.024 17613 9354 1 13 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.062 0.141 17613 9355 1 13 . 1 1 101 101 GLY H H 101 7.945 7.945 7.496 0.449 17613 9356 1 13 . 1 1 102 102 TYR N N 102 117.993 117.993 120.225 -2.232 17613 9357 1 13 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.374 0.298 17613 9358 1 13 . 1 1 102 102 TYR C C 102 174.747 174.747 175.706 -0.959 17613 9359 1 13 . 1 1 102 102 TYR CA C 102 56.254 56.254 57.406 -1.152 17613 9360 1 13 . 1 1 102 102 TYR CB C 102 39.048 39.048 38.733 0.315 17613 9361 1 13 . 1 1 102 102 TYR H H 102 6.890 6.890 7.199 -0.309 17613 9362 1 13 . 1 1 103 103 GLU N N 103 122.864 122.864 124.436 -1.572 17613 9363 1 13 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.291 0.216 17613 9364 1 13 . 1 1 103 103 GLU C C 103 174.162 174.162 175.237 -1.075 17613 9365 1 13 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.414 -0.030 17613 9366 1 13 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.619 0.752 17613 9367 1 13 . 1 1 103 103 GLU H H 103 8.318 8.318 8.814 -0.496 17613 9368 1 13 . 1 1 104 104 VAL N N 104 124.342 124.342 126.792 -2.450 17613 9369 1 13 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.369 0.859 17613 9370 1 13 . 1 1 104 104 VAL C C 104 174.235 174.235 175.554 -1.319 17613 9371 1 13 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.917 -2.637 17613 9372 1 13 . 1 1 104 104 VAL CB C 104 34.167 34.167 31.878 2.289 17613 9373 1 13 . 1 1 104 104 VAL H H 104 8.651 8.651 8.057 0.594 17613 9374 1 13 . 1 1 105 105 ARG N N 105 124.856 124.856 128.925 -4.069 17613 9375 1 13 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.784 0.131 17613 9376 1 13 . 1 1 105 105 ARG C C 105 173.917 173.917 175.433 -1.516 17613 9377 1 13 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.459 -0.994 17613 9378 1 13 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.975 -1.020 17613 9379 1 13 . 1 1 105 105 ARG H H 105 8.705 8.705 8.664 0.041 17613 9380 1 13 . 1 1 106 106 LYS N N 106 121.499 121.499 122.018 -0.519 17613 9381 1 13 . 1 1 106 106 LYS HA H 106 5.578 5.578 4.791 0.787 17613 9382 1 13 . 1 1 106 106 LYS C C 106 174.820 174.820 176.077 -1.257 17613 9383 1 13 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.927 -2.059 17613 9384 1 13 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.287 1.012 17613 9385 1 13 . 1 1 106 106 LYS H H 106 8.807 8.807 8.525 0.282 17613 9386 1 13 . 1 1 107 107 VAL N N 107 118.792 118.792 120.400 -1.608 17613 9387 1 13 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.470 0.145 17613 9388 1 13 . 1 1 107 107 VAL C C 107 173.332 173.332 174.144 -0.812 17613 9389 1 13 . 1 1 107 107 VAL CA C 107 60.222 60.222 61.138 -0.916 17613 9390 1 13 . 1 1 107 107 VAL CB C 107 35.234 35.234 34.840 0.394 17613 9391 1 13 . 1 1 107 107 VAL H H 107 8.555 8.555 8.088 0.467 17613 9392 1 13 . 1 1 108 108 THR N N 108 114.072 114.072 117.130 -3.058 17613 9393 1 13 . 1 1 108 108 THR HA H 108 4.781 4.781 4.629 0.152 17613 9394 1 13 . 1 1 108 108 THR C C 108 174.625 174.625 174.424 0.201 17613 9395 1 13 . 1 1 108 108 THR CA C 108 62.221 62.221 61.547 0.674 17613 9396 1 13 . 1 1 108 108 THR CB C 108 69.975 69.975 69.752 0.223 17613 9397 1 13 . 1 1 108 108 THR H H 108 8.604 8.604 8.668 -0.064 17613 9398 1 13 . 1 1 109 109 ASP N N 109 122.574 122.574 122.877 -0.303 17613 9399 1 13 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.757 -0.019 17613 9400 1 13 . 1 1 109 109 ASP C C 109 175.796 175.796 176.512 -0.716 17613 9401 1 13 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.865 -1.016 17613 9402 1 13 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.513 1.175 17613 9403 1 13 . 1 1 109 109 ASP H H 109 8.036 8.036 8.001 0.035 17613 9404 1 13 . 1 1 110 110 ASP N N 110 122.852 122.852 123.483 -0.631 17613 9405 1 13 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.345 -0.250 17613 9406 1 13 . 1 1 110 110 ASP C C 110 177.527 177.527 178.070 -0.543 17613 9407 1 13 . 1 1 110 110 ASP CA C 110 57.388 57.388 58.242 -0.854 17613 9408 1 13 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.832 -0.531 17613 9409 1 13 . 1 1 110 110 ASP H H 110 8.696 8.696 8.764 -0.068 17613 9410 1 13 . 1 1 111 111 GLU N N 111 119.144 119.144 119.237 -0.093 17613 9411 1 13 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.135 -0.147 17613 9412 1 13 . 1 1 111 111 GLU C C 111 179.942 179.942 178.879 1.063 17613 9413 1 13 . 1 1 111 111 GLU CA C 111 59.357 59.357 58.833 0.524 17613 9414 1 13 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.465 -0.969 17613 9415 1 13 . 1 1 111 111 GLU H H 111 8.213 8.213 8.507 -0.294 17613 9416 1 13 . 1 1 112 112 GLU N N 112 121.400 121.400 119.563 1.837 17613 9417 1 13 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.128 -0.131 17613 9418 1 13 . 1 1 112 112 GLU C C 112 178.430 178.430 177.963 0.467 17613 9419 1 13 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.272 0.477 17613 9420 1 13 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.388 -0.194 17613 9421 1 13 . 1 1 112 112 GLU H H 112 8.234 8.234 8.436 -0.202 17613 9422 1 13 . 1 1 113 113 ALA N N 113 120.316 120.316 122.476 -2.160 17613 9423 1 13 . 1 1 113 113 ALA HA H 113 3.800 3.800 3.985 -0.185 17613 9424 1 13 . 1 1 113 113 ALA C C 113 178.430 178.430 179.463 -1.033 17613 9425 1 13 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.664 -0.282 17613 9426 1 13 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.212 0.390 17613 9427 1 13 . 1 1 113 113 ALA H H 113 8.118 8.118 7.767 0.351 17613 9428 1 13 . 1 1 114 114 LEU N N 114 116.901 116.901 116.999 -0.098 17613 9429 1 13 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.856 -0.143 17613 9430 1 13 . 1 1 114 114 LEU C C 114 178.431 178.431 178.972 -0.541 17613 9431 1 13 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.770 -0.095 17613 9432 1 13 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.255 -0.319 17613 9433 1 13 . 1 1 114 114 LEU H H 114 7.743 7.743 7.849 -0.106 17613 9434 1 13 . 1 1 115 115 LYS N N 115 119.066 119.066 117.731 1.335 17613 9435 1 13 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.964 -0.164 17613 9436 1 13 . 1 1 115 115 LYS C C 115 179.404 179.404 178.910 0.494 17613 9437 1 13 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.236 0.647 17613 9438 1 13 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.929 0.249 17613 9439 1 13 . 1 1 115 115 LYS H H 115 7.617 7.617 7.239 0.378 17613 9440 1 13 . 1 1 116 116 ILE N N 116 120.613 120.613 119.407 1.206 17613 9441 1 13 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.690 -0.230 17613 9442 1 13 . 1 1 116 116 ILE C C 116 177.016 177.016 177.645 -0.629 17613 9443 1 13 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.570 1.552 17613 9444 1 13 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.613 -0.290 17613 9445 1 13 . 1 1 116 116 ILE H H 116 8.004 8.004 7.807 0.197 17613 9446 1 13 . 1 1 117 117 VAL N N 117 120.234 120.234 120.948 -0.714 17613 9447 1 13 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.739 -0.479 17613 9448 1 13 . 1 1 117 117 VAL C C 117 177.746 177.746 177.826 -0.080 17613 9449 1 13 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.361 0.144 17613 9450 1 13 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.021 -0.268 17613 9451 1 13 . 1 1 117 117 VAL H H 117 8.121 8.121 7.970 0.151 17613 9452 1 13 . 1 1 118 118 ARG N N 118 118.415 118.415 118.937 -0.522 17613 9453 1 13 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.832 0.061 17613 9454 1 13 . 1 1 118 118 ARG C C 118 178.966 178.966 178.605 0.361 17613 9455 1 13 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.853 0.316 17613 9456 1 13 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.828 -0.126 17613 9457 1 13 . 1 1 118 118 ARG H H 118 8.026 8.026 7.763 0.263 17613 9458 1 13 . 1 1 119 119 GLU N N 119 122.419 122.419 119.251 3.168 17613 9459 1 13 . 1 1 119 119 GLU HA H 119 4.027 4.027 3.927 0.100 17613 9460 1 13 . 1 1 119 119 GLU C C 119 179.429 179.429 178.880 0.549 17613 9461 1 13 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.879 0.651 17613 9462 1 13 . 1 1 119 119 GLU CB C 119 28.961 28.961 28.822 0.139 17613 9463 1 13 . 1 1 119 119 GLU H H 119 7.918 7.918 7.342 0.576 17613 9464 1 13 . 1 1 120 120 PHE N N 120 119.597 119.597 118.816 0.781 17613 9465 1 13 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.775 0.247 17613 9466 1 13 . 1 1 120 120 PHE C C 120 177.698 177.698 178.222 -0.524 17613 9467 1 13 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.582 -3.714 17613 9468 1 13 . 1 1 120 120 PHE CB C 120 36.753 36.753 37.943 -1.190 17613 9469 1 13 . 1 1 120 120 PHE H H 120 8.826 8.826 7.422 1.404 17613 9470 1 13 . 1 1 121 121 MET N N 121 116.596 116.596 116.963 -0.367 17613 9471 1 13 . 1 1 121 121 MET HA H 121 3.931 3.931 3.752 0.179 17613 9472 1 13 . 1 1 121 121 MET C C 121 179.577 179.577 178.491 1.086 17613 9473 1 13 . 1 1 121 121 MET CA C 121 59.785 59.785 58.739 1.046 17613 9474 1 13 . 1 1 121 121 MET CB C 121 33.643 33.643 31.810 1.833 17613 9475 1 13 . 1 1 121 121 MET H H 121 8.317 8.317 8.160 0.157 17613 9476 1 13 . 1 1 122 122 GLN N N 122 120.565 120.565 119.938 0.627 17613 9477 1 13 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.986 0.149 17613 9478 1 13 . 1 1 122 122 GLN C C 122 178.893 178.893 178.037 0.856 17613 9479 1 13 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.062 -0.317 17613 9480 1 13 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.640 -0.620 17613 9481 1 13 . 1 1 122 122 GLN H H 122 8.054 8.054 8.019 0.035 17613 9482 1 13 . 1 1 123 123 LYS N N 123 121.605 121.605 119.815 1.790 17613 9483 1 13 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.101 -0.076 17613 9484 1 13 . 1 1 123 123 LYS C C 123 179.307 179.307 178.962 0.345 17613 9485 1 13 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.236 0.007 17613 9486 1 13 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.346 -0.040 17613 9487 1 13 . 1 1 123 123 LYS H H 123 8.400 8.400 7.955 0.445 17613 9488 1 13 . 1 1 124 124 ALA N N 124 121.873 121.873 121.171 0.702 17613 9489 1 13 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.358 -0.214 17613 9490 1 13 . 1 1 124 124 ALA C C 124 179.112 179.112 179.851 -0.739 17613 9491 1 13 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.926 -0.274 17613 9492 1 13 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.293 0.641 17613 9493 1 13 . 1 1 124 124 ALA H H 124 8.601 8.601 8.135 0.466 17613 9494 1 13 . 1 1 125 125 GLY N N 125 104.755 104.755 105.453 -0.698 17613 9495 1 13 . 1 1 125 125 GLY C C 125 175.553 175.553 176.381 -0.828 17613 9496 1 13 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.766 -0.475 17613 9497 1 13 . 1 1 125 125 GLY H H 125 7.949 7.949 7.994 -0.045 17613 9498 1 13 . 1 1 126 126 SER N N 126 116.080 116.080 117.822 -1.742 17613 9499 1 13 . 1 1 126 126 SER HA H 126 4.447 4.447 4.327 0.120 17613 9500 1 13 . 1 1 126 126 SER C C 126 175.504 175.504 175.426 0.078 17613 9501 1 13 . 1 1 126 126 SER CA C 126 59.965 59.965 62.035 -2.070 17613 9502 1 13 . 1 1 126 126 SER CB C 126 63.460 63.460 63.470 -0.010 17613 9503 1 13 . 1 1 126 126 SER H H 126 7.861 7.861 7.638 0.223 17613 9504 1 13 . 1 1 127 127 LEU N N 127 122.372 122.372 119.604 2.768 17613 9505 1 13 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.016 0.266 17613 9506 1 13 . 1 1 127 127 LEU C C 127 177.990 177.990 178.033 -0.043 17613 9507 1 13 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.491 -0.274 17613 9508 1 13 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.800 0.273 17613 9509 1 13 . 1 1 127 127 LEU H H 127 7.882 7.882 7.727 0.155 17613 9510 1 13 . 1 1 128 128 GLU N N 128 119.775 119.775 118.167 1.608 17613 9511 1 13 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.313 -0.405 17613 9512 1 13 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.140 -0.529 17613 9513 1 13 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.943 -0.113 17613 9514 1 13 . 1 1 128 128 GLU H H 128 8.084 8.084 7.702 0.382 17613 9515 1 13 . 1 1 131 131 HIS N N 131 125.272 125.272 117.535 7.737 17613 9516 1 13 . 1 1 131 131 HIS H H 131 8.059 8.059 8.245 -0.186 17613 9517 1 14 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.330 0.496 17613 9518 1 14 . 1 1 3 3 ILE C C 3 173.405 173.405 174.752 -1.347 17613 9519 1 14 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.121 -0.565 17613 9520 1 14 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.173 1.335 17613 9521 1 14 . 1 1 3 3 ILE H H 3 8.444 8.444 7.860 0.584 17613 9522 1 14 . 1 1 4 4 LEU N N 4 127.785 127.785 128.433 -0.648 17613 9523 1 14 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.183 0.276 17613 9524 1 14 . 1 1 4 4 LEU C C 4 174.832 174.832 176.500 -1.668 17613 9525 1 14 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.126 0.215 17613 9526 1 14 . 1 1 4 4 LEU CB C 4 45.313 45.313 42.770 2.543 17613 9527 1 14 . 1 1 4 4 LEU H H 4 9.081 9.081 8.349 0.732 17613 9528 1 14 . 1 1 5 5 ILE N N 5 123.010 123.010 125.025 -2.015 17613 9529 1 14 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.401 0.432 17613 9530 1 14 . 1 1 5 5 ILE C C 5 173.357 173.357 175.049 -1.692 17613 9531 1 14 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.232 1.312 17613 9532 1 14 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.198 3.334 17613 9533 1 14 . 1 1 5 5 ILE H H 5 8.765 8.765 8.588 0.177 17613 9534 1 14 . 1 1 6 6 LEU N N 6 129.320 129.320 130.164 -0.844 17613 9535 1 14 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.065 0.281 17613 9536 1 14 . 1 1 6 6 LEU C C 6 174.795 174.795 175.123 -0.328 17613 9537 1 14 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.309 -0.309 17613 9538 1 14 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.914 0.614 17613 9539 1 14 . 1 1 6 6 LEU H H 6 9.235 9.235 7.943 1.292 17613 9540 1 14 . 1 1 7 7 ILE N N 7 120.746 120.746 124.923 -4.177 17613 9541 1 14 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.825 0.356 17613 9542 1 14 . 1 1 7 7 ILE C C 7 173.819 173.819 173.873 -0.054 17613 9543 1 14 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.288 -2.074 17613 9544 1 14 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.554 -1.400 17613 9545 1 14 . 1 1 7 7 ILE H H 7 8.931 8.931 8.791 0.140 17613 9546 1 14 . 1 1 8 8 ASN N N 8 125.539 125.539 125.989 -0.450 17613 9547 1 14 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.905 -0.003 17613 9548 1 14 . 1 1 8 8 ASN C C 8 176.478 176.478 174.043 2.435 17613 9549 1 14 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.600 -0.496 17613 9550 1 14 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.453 1.129 17613 9551 1 14 . 1 1 8 8 ASN H H 8 8.634 8.634 8.784 -0.150 17613 9552 1 14 . 1 1 9 9 THR N N 9 118.493 118.493 120.672 -2.179 17613 9553 1 14 . 1 1 9 9 THR HA H 9 4.739 4.739 5.159 -0.420 17613 9554 1 14 . 1 1 9 9 THR C C 9 170.114 170.114 174.586 -4.472 17613 9555 1 14 . 1 1 9 9 THR CA C 9 60.689 60.689 59.557 1.132 17613 9556 1 14 . 1 1 9 9 THR CB C 9 67.766 67.766 71.470 -3.704 17613 9557 1 14 . 1 1 9 9 THR H H 9 8.044 8.044 7.955 0.089 17613 9558 1 14 . 1 1 10 10 ASN N N 10 123.266 123.266 125.878 -2.612 17613 9559 1 14 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.861 0.106 17613 9560 1 14 . 1 1 10 10 ASN C C 10 174.601 174.601 174.854 -0.253 17613 9561 1 14 . 1 1 10 10 ASN CA C 10 51.844 51.844 53.465 -1.621 17613 9562 1 14 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.001 0.315 17613 9563 1 14 . 1 1 10 10 ASN H H 10 8.440 8.440 8.744 -0.304 17613 9564 1 14 . 1 1 11 11 ASN N N 11 120.920 120.920 121.030 -0.110 17613 9565 1 14 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.834 -0.141 17613 9566 1 14 . 1 1 11 11 ASN C C 11 174.333 174.333 174.933 -0.600 17613 9567 1 14 . 1 1 11 11 ASN CA C 11 52.436 52.436 53.396 -0.960 17613 9568 1 14 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.008 -0.659 17613 9569 1 14 . 1 1 11 11 ASN H H 11 8.366 8.366 7.645 0.721 17613 9570 1 14 . 1 1 12 12 ASP N N 12 126.315 126.315 125.058 1.257 17613 9571 1 14 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.279 -0.006 17613 9572 1 14 . 1 1 12 12 ASP C C 12 178.089 178.089 177.940 0.149 17613 9573 1 14 . 1 1 12 12 ASP CA C 12 57.608 57.608 58.032 -0.424 17613 9574 1 14 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.568 0.593 17613 9575 1 14 . 1 1 12 12 ASP H H 12 8.586 8.586 8.995 -0.409 17613 9576 1 14 . 1 1 13 13 GLU N N 13 119.325 119.325 120.404 -1.079 17613 9577 1 14 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.129 -0.103 17613 9578 1 14 . 1 1 13 13 GLU C C 13 178.893 178.893 178.551 0.342 17613 9579 1 14 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.144 -0.138 17613 9580 1 14 . 1 1 13 13 GLU CB C 13 28.709 28.709 28.987 -0.278 17613 9581 1 14 . 1 1 13 13 GLU H H 13 8.289 8.289 8.864 -0.575 17613 9582 1 14 . 1 1 14 14 LEU N N 14 121.683 121.683 119.733 1.950 17613 9583 1 14 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.147 -0.162 17613 9584 1 14 . 1 1 14 14 LEU C C 14 178.309 178.309 179.514 -1.205 17613 9585 1 14 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.172 0.089 17613 9586 1 14 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.890 -0.785 17613 9587 1 14 . 1 1 14 14 LEU H H 14 7.577 7.577 7.470 0.107 17613 9588 1 14 . 1 1 15 15 ILE N N 15 119.483 119.483 120.225 -0.742 17613 9589 1 14 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.531 -0.312 17613 9590 1 14 . 1 1 15 15 ILE C C 15 177.138 177.138 177.660 -0.522 17613 9591 1 14 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.844 0.746 17613 9592 1 14 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.531 -0.107 17613 9593 1 14 . 1 1 15 15 ILE H H 15 8.238 8.238 7.829 0.409 17613 9594 1 14 . 1 1 16 16 LYS N N 16 117.596 117.596 118.920 -1.324 17613 9595 1 14 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.991 -0.148 17613 9596 1 14 . 1 1 16 16 LYS C C 16 179.577 179.577 179.137 0.440 17613 9597 1 14 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.351 0.818 17613 9598 1 14 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.994 0.170 17613 9599 1 14 . 1 1 16 16 LYS H H 16 7.604 7.604 7.870 -0.266 17613 9600 1 14 . 1 1 17 17 LYS N N 17 118.832 118.832 119.804 -0.972 17613 9601 1 14 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.101 -0.109 17613 9602 1 14 . 1 1 17 17 LYS C C 17 179.380 179.380 178.833 0.547 17613 9603 1 14 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.434 0.406 17613 9604 1 14 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.493 0.572 17613 9605 1 14 . 1 1 17 17 LYS H H 17 7.583 7.583 7.817 -0.234 17613 9606 1 14 . 1 1 18 18 ILE N N 18 120.961 120.961 120.510 0.451 17613 9607 1 14 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.601 -0.229 17613 9608 1 14 . 1 1 18 18 ILE C C 18 176.967 176.967 177.743 -0.776 17613 9609 1 14 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.139 0.335 17613 9610 1 14 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.644 -0.088 17613 9611 1 14 . 1 1 18 18 ILE H H 18 8.785 8.785 7.971 0.814 17613 9612 1 14 . 1 1 19 19 LYS N N 19 118.324 118.324 118.490 -0.166 17613 9613 1 14 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.855 -0.175 17613 9614 1 14 . 1 1 19 19 LYS C C 19 177.746 177.746 179.015 -1.269 17613 9615 1 14 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.945 0.908 17613 9616 1 14 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.108 0.218 17613 9617 1 14 . 1 1 19 19 LYS H H 19 8.532 8.532 7.944 0.588 17613 9618 1 14 . 1 1 20 20 LYS N N 20 116.284 116.284 118.434 -2.150 17613 9619 1 14 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.215 -0.128 17613 9620 1 14 . 1 1 20 20 LYS C C 20 178.406 178.406 179.344 -0.938 17613 9621 1 14 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.147 0.392 17613 9622 1 14 . 1 1 20 20 LYS CB C 20 31.981 31.981 32.105 -0.124 17613 9623 1 14 . 1 1 20 20 LYS H H 20 7.303 7.303 7.512 -0.209 17613 9624 1 14 . 1 1 21 21 GLU N N 21 118.488 118.488 118.845 -0.357 17613 9625 1 14 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.071 -0.108 17613 9626 1 14 . 1 1 21 21 GLU C C 21 179.088 179.088 179.374 -0.286 17613 9627 1 14 . 1 1 21 21 GLU CA C 21 58.894 58.894 58.905 -0.011 17613 9628 1 14 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.410 0.024 17613 9629 1 14 . 1 1 21 21 GLU H H 21 7.665 7.665 8.196 -0.531 17613 9630 1 14 . 1 1 22 22 VAL N N 22 109.032 109.032 114.939 -5.907 17613 9631 1 14 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.111 0.021 17613 9632 1 14 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.637 -1.838 17613 9633 1 14 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.381 -1.552 17613 9634 1 14 . 1 1 22 22 VAL H H 22 8.037 8.037 7.853 0.184 17613 9635 1 14 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.547 0.170 17613 9636 1 14 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.400 3.408 17613 9637 1 14 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.510 -0.339 17613 9638 1 14 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.579 0.067 17613 9639 1 14 . 1 1 25 25 GLN C C 25 175.692 175.692 176.221 -0.529 17613 9640 1 14 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.759 0.259 17613 9641 1 14 . 1 1 26 26 GLY N N 26 106.368 106.368 107.186 -0.818 17613 9642 1 14 . 1 1 26 26 GLY C C 26 174.382 174.382 174.370 0.012 17613 9643 1 14 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.518 0.439 17613 9644 1 14 . 1 1 26 26 GLY H H 26 8.020 8.020 7.555 0.465 17613 9645 1 14 . 1 1 27 27 TYR N N 27 119.082 119.082 119.195 -0.113 17613 9646 1 14 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.871 -0.438 17613 9647 1 14 . 1 1 27 27 TYR C C 27 174.528 174.528 175.537 -1.009 17613 9648 1 14 . 1 1 27 27 TYR CA C 27 58.054 58.054 56.485 1.569 17613 9649 1 14 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.175 -0.170 17613 9650 1 14 . 1 1 27 27 TYR H H 27 7.845 7.845 7.699 0.146 17613 9651 1 14 . 1 1 28 28 GLN N N 28 120.362 120.362 125.447 -5.085 17613 9652 1 14 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.337 0.162 17613 9653 1 14 . 1 1 28 28 GLN C C 28 174.625 174.625 175.406 -0.781 17613 9654 1 14 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.784 -1.404 17613 9655 1 14 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.206 2.248 17613 9656 1 14 . 1 1 28 28 GLN H H 28 8.338 8.338 8.336 0.002 17613 9657 1 14 . 1 1 29 29 VAL N N 29 123.482 123.482 125.655 -2.173 17613 9658 1 14 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.410 0.633 17613 9659 1 14 . 1 1 29 29 VAL C C 29 175.820 175.820 176.262 -0.442 17613 9660 1 14 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.787 -1.299 17613 9661 1 14 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.885 0.588 17613 9662 1 14 . 1 1 29 29 VAL H H 29 8.776 8.776 8.439 0.337 17613 9663 1 14 . 1 1 30 30 ARG N N 30 127.787 127.787 129.826 -2.039 17613 9664 1 14 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.686 0.054 17613 9665 1 14 . 1 1 30 30 ARG C C 30 173.332 173.332 174.325 -0.993 17613 9666 1 14 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.811 -0.023 17613 9667 1 14 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.832 0.559 17613 9668 1 14 . 1 1 30 30 ARG H H 30 9.135 9.135 8.865 0.270 17613 9669 1 14 . 1 1 31 31 ASP N N 31 121.895 121.895 122.633 -0.738 17613 9670 1 14 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.339 -0.129 17613 9671 1 14 . 1 1 31 31 ASP C C 31 175.282 175.282 175.417 -0.135 17613 9672 1 14 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.453 0.917 17613 9673 1 14 . 1 1 31 31 ASP CB C 31 42.722 42.722 42.699 0.023 17613 9674 1 14 . 1 1 31 31 ASP H H 31 8.377 8.377 8.535 -0.158 17613 9675 1 14 . 1 1 32 32 VAL N N 32 120.426 120.426 121.229 -0.803 17613 9676 1 14 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.299 -0.051 17613 9677 1 14 . 1 1 32 32 VAL C C 32 174.114 174.114 174.741 -0.627 17613 9678 1 14 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.200 0.357 17613 9679 1 14 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.707 0.177 17613 9680 1 14 . 1 1 32 32 VAL H H 32 8.441 8.441 8.611 -0.170 17613 9681 1 14 . 1 1 33 33 ASN N N 33 122.700 122.700 125.569 -2.869 17613 9682 1 14 . 1 1 33 33 ASN HA H 33 4.977 4.977 5.054 -0.077 17613 9683 1 14 . 1 1 33 33 ASN C C 33 174.235 174.235 174.930 -0.695 17613 9684 1 14 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.832 -0.436 17613 9685 1 14 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.397 0.472 17613 9686 1 14 . 1 1 33 33 ASN H H 33 9.550 9.550 8.882 0.668 17613 9687 1 14 . 1 1 34 34 ASP N N 34 114.885 114.885 117.793 -2.908 17613 9688 1 14 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.863 -0.160 17613 9689 1 14 . 1 1 34 34 ASP C C 34 175.626 175.626 176.105 -0.479 17613 9690 1 14 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.444 1.039 17613 9691 1 14 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.568 -1.172 17613 9692 1 14 . 1 1 34 34 ASP H H 34 7.616 7.616 7.789 -0.173 17613 9693 1 14 . 1 1 35 35 SER N N 35 114.381 114.381 118.782 -4.401 17613 9694 1 14 . 1 1 35 35 SER HA H 35 4.046 4.046 4.076 -0.030 17613 9695 1 14 . 1 1 35 35 SER C C 35 175.991 175.991 176.150 -0.159 17613 9696 1 14 . 1 1 35 35 SER CA C 35 61.446 61.446 62.008 -0.562 17613 9697 1 14 . 1 1 35 35 SER CB C 35 62.764 62.764 63.063 -0.299 17613 9698 1 14 . 1 1 35 35 SER H H 35 8.869 8.869 8.748 0.121 17613 9699 1 14 . 1 1 36 36 ASP N N 36 124.695 124.695 121.001 3.694 17613 9700 1 14 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.377 0.142 17613 9701 1 14 . 1 1 36 36 ASP C C 36 179.136 179.136 178.153 0.983 17613 9702 1 14 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.590 0.078 17613 9703 1 14 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.996 -0.712 17613 9704 1 14 . 1 1 36 36 ASP H H 36 8.388 8.388 8.240 0.148 17613 9705 1 14 . 1 1 37 37 GLU N N 37 122.449 122.449 119.768 2.681 17613 9706 1 14 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.039 0.020 17613 9707 1 14 . 1 1 37 37 GLU C C 37 178.698 178.698 178.962 -0.264 17613 9708 1 14 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.820 0.389 17613 9709 1 14 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.570 0.151 17613 9710 1 14 . 1 1 37 37 GLU H H 37 9.009 9.009 7.647 1.362 17613 9711 1 14 . 1 1 38 38 LEU N N 38 119.580 119.580 121.949 -2.369 17613 9712 1 14 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.936 -0.025 17613 9713 1 14 . 1 1 38 38 LEU C C 38 177.649 177.649 178.385 -0.736 17613 9714 1 14 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.372 0.761 17613 9715 1 14 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.002 -0.932 17613 9716 1 14 . 1 1 38 38 LEU H H 38 8.203 8.203 7.735 0.468 17613 9717 1 14 . 1 1 39 39 LYS N N 39 118.404 118.404 118.340 0.064 17613 9718 1 14 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.924 -0.083 17613 9719 1 14 . 1 1 39 39 LYS C C 39 179.577 179.577 179.145 0.432 17613 9720 1 14 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.723 0.143 17613 9721 1 14 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.141 -0.093 17613 9722 1 14 . 1 1 39 39 LYS H H 39 7.829 7.829 7.797 0.032 17613 9723 1 14 . 1 1 40 40 LYS N N 40 119.271 119.271 118.798 0.473 17613 9724 1 14 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.008 0.014 17613 9725 1 14 . 1 1 40 40 LYS C C 40 179.577 179.577 179.224 0.353 17613 9726 1 14 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.772 0.818 17613 9727 1 14 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.776 0.624 17613 9728 1 14 . 1 1 40 40 LYS H H 40 7.779 7.779 7.533 0.246 17613 9729 1 14 . 1 1 41 41 GLU N N 41 119.647 119.647 119.315 0.332 17613 9730 1 14 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.089 0.174 17613 9731 1 14 . 1 1 41 41 GLU C C 41 179.504 179.504 179.146 0.358 17613 9732 1 14 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.747 -0.673 17613 9733 1 14 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.262 -1.016 17613 9734 1 14 . 1 1 41 41 GLU H H 41 8.721 8.721 8.063 0.658 17613 9735 1 14 . 1 1 42 42 MET N N 42 118.114 118.114 118.295 -0.181 17613 9736 1 14 . 1 1 42 42 MET HA H 42 4.383 4.383 4.259 0.124 17613 9737 1 14 . 1 1 42 42 MET C C 42 179.185 179.185 178.597 0.588 17613 9738 1 14 . 1 1 42 42 MET CA C 42 57.054 57.054 57.272 -0.218 17613 9739 1 14 . 1 1 42 42 MET CB C 42 31.254 31.254 31.807 -0.553 17613 9740 1 14 . 1 1 42 42 MET H H 42 8.779 8.779 7.964 0.815 17613 9741 1 14 . 1 1 43 43 LYS N N 43 120.740 120.740 119.251 1.489 17613 9742 1 14 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.071 0.017 17613 9743 1 14 . 1 1 43 43 LYS C C 43 178.187 178.187 178.834 -0.647 17613 9744 1 14 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.109 0.280 17613 9745 1 14 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.677 0.285 17613 9746 1 14 . 1 1 43 43 LYS H H 43 7.499 7.499 7.712 -0.213 17613 9747 1 14 . 1 1 44 44 LYS N N 44 118.269 118.269 119.421 -1.152 17613 9748 1 14 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.133 -0.072 17613 9749 1 14 . 1 1 44 44 LYS C C 44 179.601 179.601 178.862 0.739 17613 9750 1 14 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.935 0.565 17613 9751 1 14 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.943 0.127 17613 9752 1 14 . 1 1 44 44 LYS H H 44 7.445 7.445 7.390 0.055 17613 9753 1 14 . 1 1 45 45 LEU N N 45 117.785 117.785 118.638 -0.853 17613 9754 1 14 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.152 -0.004 17613 9755 1 14 . 1 1 45 45 LEU C C 45 178.357 178.357 179.019 -0.662 17613 9756 1 14 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.235 -0.048 17613 9757 1 14 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.699 0.074 17613 9758 1 14 . 1 1 45 45 LEU H H 45 8.161 8.161 7.768 0.393 17613 9759 1 14 . 1 1 46 46 ALA N N 46 118.538 118.538 120.922 -2.384 17613 9760 1 14 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.231 0.021 17613 9761 1 14 . 1 1 46 46 ALA C C 46 178.893 178.893 179.145 -0.252 17613 9762 1 14 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.258 -0.586 17613 9763 1 14 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.644 0.238 17613 9764 1 14 . 1 1 46 46 ALA H H 46 7.637 7.637 8.027 -0.390 17613 9765 1 14 . 1 1 47 47 GLU N N 47 115.492 115.492 116.208 -0.716 17613 9766 1 14 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.259 -0.009 17613 9767 1 14 . 1 1 47 47 GLU C C 47 176.478 176.478 175.697 0.781 17613 9768 1 14 . 1 1 47 47 GLU CA C 47 56.931 56.931 56.809 0.123 17613 9769 1 14 . 1 1 47 47 GLU CB C 47 30.417 30.417 29.894 0.523 17613 9770 1 14 . 1 1 47 47 GLU H H 47 7.713 7.713 7.868 -0.155 17613 9771 1 14 . 1 1 48 48 GLU N N 48 120.573 120.573 115.109 5.464 17613 9772 1 14 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.031 0.342 17613 9773 1 14 . 1 1 48 48 GLU C C 48 173.624 173.624 175.550 -1.926 17613 9774 1 14 . 1 1 48 48 GLU CA C 48 56.021 56.021 56.859 -0.838 17613 9775 1 14 . 1 1 48 48 GLU CB C 48 29.910 29.910 27.216 2.694 17613 9776 1 14 . 1 1 48 48 GLU H H 48 7.748 7.748 7.682 0.066 17613 9777 1 14 . 1 1 49 49 LYS N N 49 124.420 124.420 121.423 2.997 17613 9778 1 14 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.060 0.258 17613 9779 1 14 . 1 1 49 49 LYS C C 49 176.843 176.843 176.020 0.823 17613 9780 1 14 . 1 1 49 49 LYS CA C 49 56.517 56.517 57.344 -0.827 17613 9781 1 14 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.072 0.390 17613 9782 1 14 . 1 1 49 49 LYS H H 49 8.607 8.607 7.493 1.114 17613 9783 1 14 . 1 1 50 50 ASN N N 50 117.993 117.993 120.981 -2.988 17613 9784 1 14 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.461 0.163 17613 9785 1 14 . 1 1 50 50 ASN C C 50 176.454 176.454 173.901 2.553 17613 9786 1 14 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.699 -0.144 17613 9787 1 14 . 1 1 50 50 ASN CB C 50 39.036 39.036 37.971 1.065 17613 9788 1 14 . 1 1 50 50 ASN H H 50 8.723 8.723 8.321 0.402 17613 9789 1 14 . 1 1 51 51 PHE N N 51 120.700 120.700 119.013 1.687 17613 9790 1 14 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.561 0.197 17613 9791 1 14 . 1 1 51 51 PHE CA C 51 57.935 57.935 56.330 1.605 17613 9792 1 14 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.538 0.437 17613 9793 1 14 . 1 1 51 51 PHE H H 51 8.341 8.341 8.565 -0.224 17613 9794 1 14 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.291 -0.033 17613 9795 1 14 . 1 1 52 52 GLU C C 52 173.600 173.600 175.059 -1.459 17613 9796 1 14 . 1 1 52 52 GLU CA C 52 56.254 56.254 54.388 1.867 17613 9797 1 14 . 1 1 52 52 GLU CB C 52 33.459 33.459 34.187 -0.728 17613 9798 1 14 . 1 1 53 53 LYS N N 53 119.964 119.964 122.564 -2.600 17613 9799 1 14 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.595 0.094 17613 9800 1 14 . 1 1 53 53 LYS C C 53 174.430 174.430 175.473 -1.043 17613 9801 1 14 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.445 -0.089 17613 9802 1 14 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.443 0.002 17613 9803 1 14 . 1 1 53 53 LYS H H 53 7.962 7.962 8.354 -0.392 17613 9804 1 14 . 1 1 54 54 ILE N N 54 124.730 124.730 123.397 1.333 17613 9805 1 14 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.335 0.511 17613 9806 1 14 . 1 1 54 54 ILE C C 54 173.089 173.089 174.936 -1.847 17613 9807 1 14 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.401 0.863 17613 9808 1 14 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.542 3.411 17613 9809 1 14 . 1 1 54 54 ILE H H 54 8.804 8.804 8.171 0.633 17613 9810 1 14 . 1 1 55 55 LEU N N 55 130.086 130.086 129.489 0.597 17613 9811 1 14 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.990 0.651 17613 9812 1 14 . 1 1 55 55 LEU C C 55 174.430 174.430 175.056 -0.626 17613 9813 1 14 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.656 -0.154 17613 9814 1 14 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.528 0.674 17613 9815 1 14 . 1 1 55 55 LEU H H 55 9.103 9.103 8.347 0.756 17613 9816 1 14 . 1 1 56 56 ILE N N 56 125.983 125.983 127.637 -1.654 17613 9817 1 14 . 1 1 56 56 ILE HA H 56 5.057 5.057 5.030 0.027 17613 9818 1 14 . 1 1 56 56 ILE C C 56 174.089 174.089 175.570 -1.481 17613 9819 1 14 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.455 0.655 17613 9820 1 14 . 1 1 56 56 ILE CB C 56 39.823 39.823 37.590 2.233 17613 9821 1 14 . 1 1 56 56 ILE H H 56 9.182 9.182 8.536 0.646 17613 9822 1 14 . 1 1 57 57 ILE N N 57 127.241 127.241 128.813 -1.572 17613 9823 1 14 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.551 0.361 17613 9824 1 14 . 1 1 57 57 ILE C C 57 174.869 174.869 175.193 -0.324 17613 9825 1 14 . 1 1 57 57 ILE CA C 57 59.255 59.255 61.034 -1.779 17613 9826 1 14 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.360 -0.409 17613 9827 1 14 . 1 1 57 57 ILE H H 57 8.541 8.541 8.311 0.230 17613 9828 1 14 . 1 1 58 58 SER N N 58 119.270 119.270 120.842 -1.572 17613 9829 1 14 . 1 1 58 58 SER HA H 58 5.007 5.007 5.410 -0.403 17613 9830 1 14 . 1 1 58 58 SER C C 58 174.211 174.211 174.495 -0.284 17613 9831 1 14 . 1 1 58 58 SER CA C 58 56.727 56.727 56.269 0.458 17613 9832 1 14 . 1 1 58 58 SER CB C 58 66.615 66.615 65.240 1.375 17613 9833 1 14 . 1 1 58 58 SER H H 58 8.810 8.810 8.796 0.014 17613 9834 1 14 . 1 1 59 59 ASN N N 59 122.382 122.382 125.826 -3.444 17613 9835 1 14 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.168 -0.457 17613 9836 1 14 . 1 1 59 59 ASN C C 59 174.795 174.795 175.193 -0.398 17613 9837 1 14 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.286 -0.779 17613 9838 1 14 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.158 -0.196 17613 9839 1 14 . 1 1 59 59 ASN H H 59 8.794 8.794 8.283 0.511 17613 9840 1 14 . 1 1 60 60 ASP N N 60 119.744 119.744 119.111 0.633 17613 9841 1 14 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.783 0.080 17613 9842 1 14 . 1 1 60 60 ASP C C 60 176.015 176.015 176.687 -0.672 17613 9843 1 14 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.547 0.550 17613 9844 1 14 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.451 -0.502 17613 9845 1 14 . 1 1 60 60 ASP H H 60 7.857 7.857 7.578 0.279 17613 9846 1 14 . 1 1 61 61 LYS N N 61 125.818 125.818 123.944 1.874 17613 9847 1 14 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.099 -0.377 17613 9848 1 14 . 1 1 61 61 LYS C C 61 177.673 177.673 178.494 -0.821 17613 9849 1 14 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.977 -0.345 17613 9850 1 14 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.166 -0.648 17613 9851 1 14 . 1 1 61 61 LYS H H 61 8.904 8.904 8.564 0.340 17613 9852 1 14 . 1 1 62 62 GLN N N 62 118.918 118.918 119.615 -0.697 17613 9853 1 14 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.208 -0.103 17613 9854 1 14 . 1 1 62 62 GLN C C 62 178.747 178.747 177.774 0.973 17613 9855 1 14 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.689 -0.388 17613 9856 1 14 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.744 -0.296 17613 9857 1 14 . 1 1 62 62 GLN H H 62 8.434 8.434 8.517 -0.083 17613 9858 1 14 . 1 1 63 63 LEU N N 63 120.071 120.071 119.710 0.361 17613 9859 1 14 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.978 0.156 17613 9860 1 14 . 1 1 63 63 LEU C C 63 178.552 178.552 178.926 -0.374 17613 9861 1 14 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.867 -1.224 17613 9862 1 14 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.576 -0.682 17613 9863 1 14 . 1 1 63 63 LEU H H 63 7.671 7.671 8.191 -0.520 17613 9864 1 14 . 1 1 64 64 LEU N N 64 117.705 117.705 119.965 -2.260 17613 9865 1 14 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.913 -0.006 17613 9866 1 14 . 1 1 64 64 LEU C C 64 172.526 172.526 178.384 -5.858 17613 9867 1 14 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.433 -0.655 17613 9868 1 14 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.889 -0.539 17613 9869 1 14 . 1 1 64 64 LEU H H 64 7.626 7.626 7.552 0.074 17613 9870 1 14 . 1 1 65 65 LYS N N 65 118.311 118.311 119.248 -0.937 17613 9871 1 14 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.931 -0.137 17613 9872 1 14 . 1 1 65 65 LYS C C 65 178.479 178.479 179.194 -0.715 17613 9873 1 14 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.102 0.124 17613 9874 1 14 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.234 0.032 17613 9875 1 14 . 1 1 65 65 LYS H H 65 8.038 8.038 7.875 0.163 17613 9876 1 14 . 1 1 66 66 GLU N N 66 119.362 119.362 118.685 0.677 17613 9877 1 14 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.051 -0.025 17613 9878 1 14 . 1 1 66 66 GLU C C 66 178.893 178.893 179.178 -0.285 17613 9879 1 14 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.952 0.167 17613 9880 1 14 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.269 -0.007 17613 9881 1 14 . 1 1 66 66 GLU H H 66 7.803 7.803 8.122 -0.319 17613 9882 1 14 . 1 1 67 67 MET N N 67 118.398 118.398 120.240 -1.842 17613 9883 1 14 . 1 1 67 67 MET HA H 67 3.948 3.948 4.083 -0.135 17613 9884 1 14 . 1 1 67 67 MET C C 67 177.527 177.527 178.288 -0.761 17613 9885 1 14 . 1 1 67 67 MET CA C 67 59.963 59.963 58.496 1.467 17613 9886 1 14 . 1 1 67 67 MET CB C 67 33.443 33.443 32.392 1.051 17613 9887 1 14 . 1 1 67 67 MET H H 67 8.394 8.394 7.944 0.450 17613 9888 1 14 . 1 1 68 68 LEU N N 68 118.269 118.269 117.998 0.271 17613 9889 1 14 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.817 -0.038 17613 9890 1 14 . 1 1 68 68 LEU C C 68 178.869 178.869 179.287 -0.418 17613 9891 1 14 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.763 0.178 17613 9892 1 14 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.187 -0.312 17613 9893 1 14 . 1 1 68 68 LEU H H 68 8.471 8.471 8.232 0.239 17613 9894 1 14 . 1 1 69 69 GLU N N 69 118.681 118.681 119.760 -1.079 17613 9895 1 14 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.090 -0.035 17613 9896 1 14 . 1 1 69 69 GLU C C 69 179.063 179.063 179.488 -0.425 17613 9897 1 14 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.412 0.012 17613 9898 1 14 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.610 -0.470 17613 9899 1 14 . 1 1 69 69 GLU H H 69 7.627 7.627 7.886 -0.259 17613 9900 1 14 . 1 1 70 70 LEU N N 70 119.503 119.503 119.999 -0.496 17613 9901 1 14 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.062 0.099 17613 9902 1 14 . 1 1 70 70 LEU C C 70 179.699 179.699 179.197 0.502 17613 9903 1 14 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.718 0.056 17613 9904 1 14 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.927 0.017 17613 9905 1 14 . 1 1 70 70 LEU H H 70 7.717 7.717 7.889 -0.172 17613 9906 1 14 . 1 1 71 71 ILE N N 71 116.791 116.791 119.998 -3.207 17613 9907 1 14 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.685 0.052 17613 9908 1 14 . 1 1 71 71 ILE C C 71 178.357 178.357 178.088 0.269 17613 9909 1 14 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.354 -1.112 17613 9910 1 14 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.631 0.270 17613 9911 1 14 . 1 1 71 71 ILE H H 71 8.598 8.598 8.295 0.303 17613 9912 1 14 . 1 1 72 72 SER N N 72 116.517 116.517 115.612 0.905 17613 9913 1 14 . 1 1 72 72 SER HA H 72 4.365 4.365 4.258 0.107 17613 9914 1 14 . 1 1 72 72 SER C C 72 176.845 176.845 176.071 0.774 17613 9915 1 14 . 1 1 72 72 SER CA C 72 61.365 61.365 61.145 0.220 17613 9916 1 14 . 1 1 72 72 SER CB C 72 62.780 62.780 62.627 0.153 17613 9917 1 14 . 1 1 72 72 SER H H 72 8.023 8.023 8.112 -0.089 17613 9918 1 14 . 1 1 73 73 LYS N N 73 120.731 120.731 119.985 0.746 17613 9919 1 14 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.135 0.156 17613 9920 1 14 . 1 1 73 73 LYS C C 73 177.771 177.771 177.740 0.031 17613 9921 1 14 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.768 -0.292 17613 9922 1 14 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.391 -0.245 17613 9923 1 14 . 1 1 73 73 LYS H H 73 7.723 7.723 7.470 0.253 17613 9924 1 14 . 1 1 74 74 LEU N N 74 117.572 117.572 117.709 -0.137 17613 9925 1 14 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.199 0.028 17613 9926 1 14 . 1 1 74 74 LEU C C 74 177.332 177.332 178.015 -0.683 17613 9927 1 14 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.783 -0.584 17613 9928 1 14 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.670 -1.184 17613 9929 1 14 . 1 1 74 74 LEU H H 74 7.609 7.609 7.522 0.087 17613 9930 1 14 . 1 1 75 75 GLY N N 75 105.991 105.991 105.421 0.570 17613 9931 1 14 . 1 1 75 75 GLY C C 75 174.771 174.771 173.459 1.312 17613 9932 1 14 . 1 1 75 75 GLY CA C 75 45.842 45.842 44.358 1.484 17613 9933 1 14 . 1 1 75 75 GLY H H 75 7.925 7.925 7.856 0.069 17613 9934 1 14 . 1 1 76 76 TYR N N 76 118.452 118.452 119.776 -1.324 17613 9935 1 14 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.652 0.126 17613 9936 1 14 . 1 1 76 76 TYR C C 76 175.234 175.234 175.516 -0.282 17613 9937 1 14 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.025 -0.521 17613 9938 1 14 . 1 1 76 76 TYR CB C 76 37.962 37.962 41.117 -3.155 17613 9939 1 14 . 1 1 76 76 TYR H H 76 7.366 7.366 7.555 -0.189 17613 9940 1 14 . 1 1 77 77 LYS N N 77 122.866 122.866 123.794 -0.928 17613 9941 1 14 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.306 0.242 17613 9942 1 14 . 1 1 77 77 LYS C C 77 174.138 174.138 174.822 -0.684 17613 9943 1 14 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.426 -0.356 17613 9944 1 14 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.576 0.641 17613 9945 1 14 . 1 1 77 77 LYS H H 77 8.290 8.290 8.703 -0.413 17613 9946 1 14 . 1 1 78 78 VAL N N 78 124.071 124.071 124.582 -0.511 17613 9947 1 14 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.647 0.519 17613 9948 1 14 . 1 1 78 78 VAL C C 78 174.162 174.162 174.936 -0.774 17613 9949 1 14 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.651 -0.423 17613 9950 1 14 . 1 1 78 78 VAL CB C 78 34.355 34.355 32.393 1.962 17613 9951 1 14 . 1 1 78 78 VAL H H 78 7.830 7.830 8.078 -0.248 17613 9952 1 14 . 1 1 79 79 PHE N N 79 126.174 126.174 126.484 -0.310 17613 9953 1 14 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.764 -0.197 17613 9954 1 14 . 1 1 79 79 PHE C C 79 173.357 173.357 173.996 -0.639 17613 9955 1 14 . 1 1 79 79 PHE CA C 79 55.953 55.953 55.112 0.841 17613 9956 1 14 . 1 1 79 79 PHE CB C 79 40.184 40.184 39.745 0.439 17613 9957 1 14 . 1 1 79 79 PHE H H 79 8.374 8.374 7.965 0.409 17613 9958 1 14 . 1 1 80 80 LEU N N 80 123.959 123.959 126.032 -2.073 17613 9959 1 14 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.236 0.310 17613 9960 1 14 . 1 1 80 80 LEU C C 80 173.503 173.503 174.511 -1.008 17613 9961 1 14 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.845 1.153 17613 9962 1 14 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.547 0.120 17613 9963 1 14 . 1 1 80 80 LEU H H 80 8.601 8.601 8.676 -0.075 17613 9964 1 14 . 1 1 81 81 LEU N N 81 126.694 126.694 128.077 -1.383 17613 9965 1 14 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.274 -0.005 17613 9966 1 14 . 1 1 81 81 LEU C C 81 173.649 173.649 174.592 -0.943 17613 9967 1 14 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.169 -0.105 17613 9968 1 14 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.934 0.843 17613 9969 1 14 . 1 1 81 81 LEU H H 81 9.063 9.063 8.784 0.279 17613 9970 1 14 . 1 1 82 82 LEU N N 82 124.888 124.888 128.039 -3.151 17613 9971 1 14 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.741 0.170 17613 9972 1 14 . 1 1 82 82 LEU C C 82 174.479 174.479 174.938 -0.459 17613 9973 1 14 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.973 -0.838 17613 9974 1 14 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.886 1.336 17613 9975 1 14 . 1 1 82 82 LEU H H 82 8.864 8.864 9.186 -0.322 17613 9976 1 14 . 1 1 83 83 GLN N N 83 122.153 122.153 125.706 -3.553 17613 9977 1 14 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.345 -0.085 17613 9978 1 14 . 1 1 83 83 GLN C C 83 174.333 174.333 174.201 0.132 17613 9979 1 14 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.365 0.221 17613 9980 1 14 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.369 -1.499 17613 9981 1 14 . 1 1 83 83 GLN H H 83 8.437 8.437 8.918 -0.481 17613 9982 1 14 . 1 1 84 84 ASP N N 84 124.451 124.451 126.544 -2.093 17613 9983 1 14 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.977 -0.475 17613 9984 1 14 . 1 1 84 84 ASP C C 84 174.308 174.308 175.054 -0.746 17613 9985 1 14 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.644 0.371 17613 9986 1 14 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.493 -0.722 17613 9987 1 14 . 1 1 84 84 ASP H H 84 8.205 8.205 8.445 -0.240 17613 9988 1 14 . 1 1 85 85 GLN N N 85 120.202 120.202 122.218 -2.016 17613 9989 1 14 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.161 0.173 17613 9990 1 14 . 1 1 85 85 GLN C C 85 175.431 175.431 175.633 -0.202 17613 9991 1 14 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.695 -1.100 17613 9992 1 14 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.190 0.144 17613 9993 1 14 . 1 1 85 85 GLN H H 85 8.617 8.617 8.693 -0.076 17613 9994 1 14 . 1 1 86 86 ASP N N 86 120.508 120.508 121.323 -0.815 17613 9995 1 14 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.680 0.005 17613 9996 1 14 . 1 1 86 86 ASP C C 86 175.747 175.747 176.497 -0.750 17613 9997 1 14 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.866 -1.354 17613 9998 1 14 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.669 0.288 17613 9999 1 14 . 1 1 86 86 ASP H H 86 8.691 8.691 8.267 0.424 17613 10000 1 14 . 1 1 87 87 GLU N N 87 123.604 123.604 123.979 -0.375 17613 10001 1 14 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.002 0.033 17613 10002 1 14 . 1 1 87 87 GLU C C 87 177.771 177.771 177.712 0.059 17613 10003 1 14 . 1 1 87 87 GLU CA C 87 58.522 58.522 60.095 -1.573 17613 10004 1 14 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.660 -0.085 17613 10005 1 14 . 1 1 87 87 GLU H H 87 8.642 8.642 8.333 0.309 17613 10006 1 14 . 1 1 88 88 ASN N N 88 118.838 118.838 117.457 1.381 17613 10007 1 14 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.488 0.073 17613 10008 1 14 . 1 1 88 88 ASN C C 88 177.089 177.089 177.371 -0.282 17613 10009 1 14 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.318 -0.676 17613 10010 1 14 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.488 0.678 17613 10011 1 14 . 1 1 88 88 ASN H H 88 8.527 8.527 8.715 -0.188 17613 10012 1 14 . 1 1 89 89 GLU N N 89 120.947 120.947 120.015 0.932 17613 10013 1 14 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.323 -0.176 17613 10014 1 14 . 1 1 89 89 GLU C C 89 178.357 178.357 179.103 -0.746 17613 10015 1 14 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.592 -0.341 17613 10016 1 14 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.010 0.234 17613 10017 1 14 . 1 1 89 89 GLU H H 89 8.221 8.221 8.276 -0.055 17613 10018 1 14 . 1 1 90 90 LEU N N 90 119.582 119.582 120.838 -1.256 17613 10019 1 14 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.211 -0.006 17613 10020 1 14 . 1 1 90 90 LEU C C 90 177.917 177.917 178.407 -0.490 17613 10021 1 14 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.148 -0.204 17613 10022 1 14 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.695 0.761 17613 10023 1 14 . 1 1 90 90 LEU H H 90 8.047 8.047 8.016 0.031 17613 10024 1 14 . 1 1 91 91 GLU N N 91 119.029 119.029 120.048 -1.019 17613 10025 1 14 . 1 1 91 91 GLU HA H 91 4.073 4.073 3.951 0.122 17613 10026 1 14 . 1 1 91 91 GLU C C 91 178.284 178.284 178.687 -0.403 17613 10027 1 14 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.608 -0.479 17613 10028 1 14 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.125 -0.155 17613 10029 1 14 . 1 1 91 91 GLU H H 91 7.940 7.940 8.192 -0.252 17613 10030 1 14 . 1 1 92 92 GLU N N 92 118.667 118.667 119.609 -0.942 17613 10031 1 14 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.004 0.028 17613 10032 1 14 . 1 1 92 92 GLU C C 92 178.103 178.103 179.100 -0.997 17613 10033 1 14 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.130 0.122 17613 10034 1 14 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.512 -0.580 17613 10035 1 14 . 1 1 92 92 GLU H H 92 8.088 8.088 7.545 0.543 17613 10036 1 14 . 1 1 93 93 PHE N N 93 120.118 120.118 120.062 0.056 17613 10037 1 14 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.156 0.184 17613 10038 1 14 . 1 1 93 93 PHE C C 93 176.894 176.894 177.404 -0.510 17613 10039 1 14 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.715 -0.270 17613 10040 1 14 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.200 -0.213 17613 10041 1 14 . 1 1 93 93 PHE H H 93 8.103 8.103 7.829 0.274 17613 10042 1 14 . 1 1 94 94 LYS N N 94 118.941 118.941 119.101 -0.160 17613 10043 1 14 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.893 -0.277 17613 10044 1 14 . 1 1 94 94 LYS C C 94 177.600 177.600 179.195 -1.595 17613 10045 1 14 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.065 1.011 17613 10046 1 14 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.228 0.237 17613 10047 1 14 . 1 1 94 94 LYS H H 94 8.606 8.606 8.201 0.405 17613 10048 1 14 . 1 1 95 95 ARG N N 95 117.194 117.194 118.613 -1.419 17613 10049 1 14 . 1 1 95 95 ARG HA H 95 4.150 4.150 3.961 0.189 17613 10050 1 14 . 1 1 95 95 ARG C C 95 179.404 179.404 179.014 0.390 17613 10051 1 14 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.644 -0.541 17613 10052 1 14 . 1 1 95 95 ARG CB C 95 29.819 29.819 30.089 -0.270 17613 10053 1 14 . 1 1 95 95 ARG H H 95 8.159 8.159 7.975 0.184 17613 10054 1 14 . 1 1 96 96 LYS N N 96 119.582 119.582 119.683 -0.101 17613 10055 1 14 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.051 0.014 17613 10056 1 14 . 1 1 96 96 LYS C C 96 179.034 179.034 179.524 -0.490 17613 10057 1 14 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.096 -0.162 17613 10058 1 14 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.008 0.061 17613 10059 1 14 . 1 1 96 96 LYS H H 96 7.786 7.786 7.580 0.206 17613 10060 1 14 . 1 1 97 97 ILE N N 97 118.550 118.550 119.174 -0.624 17613 10061 1 14 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.051 -0.113 17613 10062 1 14 . 1 1 97 97 ILE C C 97 178.284 178.284 178.649 -0.365 17613 10063 1 14 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.916 -1.347 17613 10064 1 14 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.885 -0.679 17613 10065 1 14 . 1 1 97 97 ILE H H 97 7.831 7.831 7.422 0.409 17613 10066 1 14 . 1 1 98 98 GLU N N 98 121.984 121.984 120.202 1.782 17613 10067 1 14 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.013 0.323 17613 10068 1 14 . 1 1 98 98 GLU C C 98 180.040 180.040 177.888 2.152 17613 10069 1 14 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.757 0.193 17613 10070 1 14 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.178 0.257 17613 10071 1 14 . 1 1 98 98 GLU H H 98 8.670 8.670 8.105 0.565 17613 10072 1 14 . 1 1 99 99 SER N N 99 115.499 115.499 113.731 1.768 17613 10073 1 14 . 1 1 99 99 SER HA H 99 4.343 4.343 4.289 0.054 17613 10074 1 14 . 1 1 99 99 SER C C 99 174.820 174.820 176.022 -1.202 17613 10075 1 14 . 1 1 99 99 SER CA C 99 60.410 60.410 60.248 0.162 17613 10076 1 14 . 1 1 99 99 SER CB C 99 62.680 62.680 63.105 -0.425 17613 10077 1 14 . 1 1 99 99 SER H H 99 8.099 8.099 7.539 0.560 17613 10078 1 14 . 1 1 100 100 GLN N N 100 119.301 119.301 118.845 0.456 17613 10079 1 14 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.151 0.159 17613 10080 1 14 . 1 1 100 100 GLN C C 100 175.857 175.857 175.462 0.395 17613 10081 1 14 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.697 0.229 17613 10082 1 14 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.018 0.194 17613 10083 1 14 . 1 1 100 100 GLN H H 100 7.623 7.623 7.272 0.351 17613 10084 1 14 . 1 1 101 101 GLY N N 101 105.765 105.765 107.415 -1.650 17613 10085 1 14 . 1 1 101 101 GLY C C 101 173.748 173.748 173.732 0.016 17613 10086 1 14 . 1 1 101 101 GLY CA C 101 45.203 45.203 45.037 0.166 17613 10087 1 14 . 1 1 101 101 GLY H H 101 7.945 7.945 7.530 0.415 17613 10088 1 14 . 1 1 102 102 TYR N N 102 117.993 117.993 117.720 0.273 17613 10089 1 14 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.995 -0.323 17613 10090 1 14 . 1 1 102 102 TYR C C 102 174.747 174.747 175.308 -0.561 17613 10091 1 14 . 1 1 102 102 TYR CA C 102 56.254 56.254 55.047 1.207 17613 10092 1 14 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.342 -1.294 17613 10093 1 14 . 1 1 102 102 TYR H H 102 6.890 6.890 7.643 -0.753 17613 10094 1 14 . 1 1 103 103 GLU N N 103 122.864 122.864 123.819 -0.955 17613 10095 1 14 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.586 -0.079 17613 10096 1 14 . 1 1 103 103 GLU C C 103 174.162 174.162 175.104 -0.942 17613 10097 1 14 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.679 0.705 17613 10098 1 14 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.627 0.744 17613 10099 1 14 . 1 1 103 103 GLU H H 103 8.318 8.318 8.869 -0.551 17613 10100 1 14 . 1 1 104 104 VAL N N 104 124.342 124.342 126.854 -2.512 17613 10101 1 14 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.714 0.514 17613 10102 1 14 . 1 1 104 104 VAL C C 104 174.235 174.235 175.831 -1.596 17613 10103 1 14 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.713 -2.433 17613 10104 1 14 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.417 1.750 17613 10105 1 14 . 1 1 104 104 VAL H H 104 8.651 8.651 8.072 0.579 17613 10106 1 14 . 1 1 105 105 ARG N N 105 124.856 124.856 128.865 -4.009 17613 10107 1 14 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.778 0.137 17613 10108 1 14 . 1 1 105 105 ARG C C 105 173.917 173.917 175.344 -1.427 17613 10109 1 14 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.478 -1.013 17613 10110 1 14 . 1 1 105 105 ARG CB C 105 32.955 32.955 32.207 0.748 17613 10111 1 14 . 1 1 105 105 ARG H H 105 8.705 8.705 9.125 -0.420 17613 10112 1 14 . 1 1 106 106 LYS N N 106 121.499 121.499 123.640 -2.141 17613 10113 1 14 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.344 0.234 17613 10114 1 14 . 1 1 106 106 LYS C C 106 174.820 174.820 175.739 -0.919 17613 10115 1 14 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.774 -1.906 17613 10116 1 14 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.249 1.050 17613 10117 1 14 . 1 1 106 106 LYS H H 106 8.807 8.807 8.588 0.219 17613 10118 1 14 . 1 1 107 107 VAL N N 107 118.792 118.792 121.872 -3.080 17613 10119 1 14 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.529 0.086 17613 10120 1 14 . 1 1 107 107 VAL C C 107 173.332 173.332 174.359 -1.027 17613 10121 1 14 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.149 0.073 17613 10122 1 14 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.906 -0.672 17613 10123 1 14 . 1 1 107 107 VAL H H 107 8.555 8.555 8.472 0.083 17613 10124 1 14 . 1 1 108 108 THR N N 108 114.072 114.072 115.489 -1.417 17613 10125 1 14 . 1 1 108 108 THR HA H 108 4.781 4.781 4.608 0.173 17613 10126 1 14 . 1 1 108 108 THR C C 108 174.625 174.625 174.367 0.258 17613 10127 1 14 . 1 1 108 108 THR CA C 108 62.221 62.221 62.120 0.101 17613 10128 1 14 . 1 1 108 108 THR CB C 108 69.975 69.975 69.691 0.284 17613 10129 1 14 . 1 1 108 108 THR H H 108 8.604 8.604 8.481 0.123 17613 10130 1 14 . 1 1 109 109 ASP N N 109 122.574 122.574 122.854 -0.280 17613 10131 1 14 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.740 -0.002 17613 10132 1 14 . 1 1 109 109 ASP C C 109 175.796 175.796 177.120 -1.324 17613 10133 1 14 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.102 -0.254 17613 10134 1 14 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.919 0.769 17613 10135 1 14 . 1 1 109 109 ASP H H 109 8.036 8.036 7.853 0.183 17613 10136 1 14 . 1 1 110 110 ASP N N 110 122.852 122.852 122.248 0.604 17613 10137 1 14 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.385 -0.290 17613 10138 1 14 . 1 1 110 110 ASP C C 110 177.527 177.527 177.814 -0.287 17613 10139 1 14 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.933 -0.545 17613 10140 1 14 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.971 -0.670 17613 10141 1 14 . 1 1 110 110 ASP H H 110 8.696 8.696 8.814 -0.118 17613 10142 1 14 . 1 1 111 111 GLU N N 111 119.144 119.144 119.077 0.067 17613 10143 1 14 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.036 -0.048 17613 10144 1 14 . 1 1 111 111 GLU C C 111 179.942 179.942 178.687 1.255 17613 10145 1 14 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.867 -0.510 17613 10146 1 14 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.061 -0.565 17613 10147 1 14 . 1 1 111 111 GLU H H 111 8.213 8.213 8.706 -0.493 17613 10148 1 14 . 1 1 112 112 GLU N N 112 121.400 121.400 118.802 2.598 17613 10149 1 14 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.079 -0.082 17613 10150 1 14 . 1 1 112 112 GLU C C 112 178.430 178.430 178.541 -0.111 17613 10151 1 14 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.668 0.081 17613 10152 1 14 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.744 0.450 17613 10153 1 14 . 1 1 112 112 GLU H H 112 8.234 8.234 8.576 -0.342 17613 10154 1 14 . 1 1 113 113 ALA N N 113 120.316 120.316 122.329 -2.013 17613 10155 1 14 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.047 -0.247 17613 10156 1 14 . 1 1 113 113 ALA C C 113 178.430 178.430 179.881 -1.451 17613 10157 1 14 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.062 0.320 17613 10158 1 14 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.138 0.464 17613 10159 1 14 . 1 1 113 113 ALA H H 113 8.118 8.118 7.741 0.377 17613 10160 1 14 . 1 1 114 114 LEU N N 114 116.901 116.901 117.416 -0.515 17613 10161 1 14 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.845 -0.132 17613 10162 1 14 . 1 1 114 114 LEU C C 114 178.431 178.431 179.268 -0.837 17613 10163 1 14 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.571 0.104 17613 10164 1 14 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.405 -0.469 17613 10165 1 14 . 1 1 114 114 LEU H H 114 7.743 7.743 7.631 0.112 17613 10166 1 14 . 1 1 115 115 LYS N N 115 119.066 119.066 118.215 0.851 17613 10167 1 14 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.011 -0.211 17613 10168 1 14 . 1 1 115 115 LYS C C 115 179.404 179.404 179.189 0.215 17613 10169 1 14 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.289 0.594 17613 10170 1 14 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.194 -0.016 17613 10171 1 14 . 1 1 115 115 LYS H H 115 7.617 7.617 7.452 0.165 17613 10172 1 14 . 1 1 116 116 ILE N N 116 120.613 120.613 119.418 1.195 17613 10173 1 14 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.733 -0.273 17613 10174 1 14 . 1 1 116 116 ILE C C 116 177.016 177.016 177.692 -0.676 17613 10175 1 14 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.667 1.455 17613 10176 1 14 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.736 -0.412 17613 10177 1 14 . 1 1 116 116 ILE H H 116 8.004 8.004 7.764 0.240 17613 10178 1 14 . 1 1 117 117 VAL N N 117 120.234 120.234 120.266 -0.032 17613 10179 1 14 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.903 -0.643 17613 10180 1 14 . 1 1 117 117 VAL C C 117 177.746 177.746 177.462 0.284 17613 10181 1 14 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.607 -0.102 17613 10182 1 14 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.080 -0.327 17613 10183 1 14 . 1 1 117 117 VAL H H 117 8.121 8.121 8.050 0.071 17613 10184 1 14 . 1 1 118 118 ARG N N 118 118.415 118.415 118.769 -0.354 17613 10185 1 14 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.951 -0.058 17613 10186 1 14 . 1 1 118 118 ARG C C 118 178.966 178.966 178.007 0.959 17613 10187 1 14 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.505 0.664 17613 10188 1 14 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.567 0.135 17613 10189 1 14 . 1 1 118 118 ARG H H 118 8.026 8.026 7.636 0.390 17613 10190 1 14 . 1 1 119 119 GLU N N 119 122.419 122.419 119.901 2.518 17613 10191 1 14 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.014 0.013 17613 10192 1 14 . 1 1 119 119 GLU C C 119 179.429 179.429 178.638 0.791 17613 10193 1 14 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.635 0.895 17613 10194 1 14 . 1 1 119 119 GLU CB C 119 28.961 28.961 28.510 0.451 17613 10195 1 14 . 1 1 119 119 GLU H H 119 7.918 7.918 7.363 0.555 17613 10196 1 14 . 1 1 120 120 PHE N N 120 119.597 119.597 119.879 -0.282 17613 10197 1 14 . 1 1 120 120 PHE HA H 120 4.022 4.022 4.121 -0.099 17613 10198 1 14 . 1 1 120 120 PHE C C 120 177.698 177.698 178.199 -0.501 17613 10199 1 14 . 1 1 120 120 PHE CA C 120 56.868 56.868 61.489 -4.621 17613 10200 1 14 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.263 -1.510 17613 10201 1 14 . 1 1 120 120 PHE H H 120 8.826 8.826 7.500 1.326 17613 10202 1 14 . 1 1 121 121 MET N N 121 116.596 116.596 116.575 0.021 17613 10203 1 14 . 1 1 121 121 MET HA H 121 3.931 3.931 3.897 0.034 17613 10204 1 14 . 1 1 121 121 MET C C 121 179.577 179.577 178.501 1.076 17613 10205 1 14 . 1 1 121 121 MET CA C 121 59.785 59.785 58.727 1.058 17613 10206 1 14 . 1 1 121 121 MET CB C 121 33.643 33.643 31.619 2.024 17613 10207 1 14 . 1 1 121 121 MET H H 121 8.317 8.317 8.354 -0.037 17613 10208 1 14 . 1 1 122 122 GLN N N 122 120.565 120.565 120.369 0.196 17613 10209 1 14 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.988 0.147 17613 10210 1 14 . 1 1 122 122 GLN C C 122 178.893 178.893 177.808 1.085 17613 10211 1 14 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.487 -0.742 17613 10212 1 14 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.614 -0.594 17613 10213 1 14 . 1 1 122 122 GLN H H 122 8.054 8.054 8.022 0.032 17613 10214 1 14 . 1 1 123 123 LYS N N 123 121.605 121.605 120.166 1.439 17613 10215 1 14 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.006 0.019 17613 10216 1 14 . 1 1 123 123 LYS C C 123 179.307 179.307 179.233 0.074 17613 10217 1 14 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.353 -0.110 17613 10218 1 14 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.162 0.144 17613 10219 1 14 . 1 1 123 123 LYS H H 123 8.400 8.400 7.914 0.486 17613 10220 1 14 . 1 1 124 124 ALA N N 124 121.873 121.873 120.425 1.448 17613 10221 1 14 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.352 -0.208 17613 10222 1 14 . 1 1 124 124 ALA C C 124 179.112 179.112 179.481 -0.369 17613 10223 1 14 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.825 -0.173 17613 10224 1 14 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.761 0.173 17613 10225 1 14 . 1 1 124 124 ALA H H 124 8.601 8.601 8.416 0.185 17613 10226 1 14 . 1 1 125 125 GLY N N 125 104.755 104.755 106.133 -1.378 17613 10227 1 14 . 1 1 125 125 GLY C C 125 175.553 175.553 176.348 -0.795 17613 10228 1 14 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.120 -0.829 17613 10229 1 14 . 1 1 125 125 GLY H H 125 7.949 7.949 8.142 -0.193 17613 10230 1 14 . 1 1 126 126 SER N N 126 116.080 116.080 116.836 -0.756 17613 10231 1 14 . 1 1 126 126 SER HA H 126 4.447 4.447 4.340 0.107 17613 10232 1 14 . 1 1 126 126 SER C C 126 175.504 175.504 175.850 -0.346 17613 10233 1 14 . 1 1 126 126 SER CA C 126 59.965 59.965 61.864 -1.899 17613 10234 1 14 . 1 1 126 126 SER CB C 126 63.460 63.460 63.466 -0.006 17613 10235 1 14 . 1 1 126 126 SER H H 126 7.861 7.861 7.567 0.294 17613 10236 1 14 . 1 1 127 127 LEU N N 127 122.372 122.372 120.194 2.178 17613 10237 1 14 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.312 -0.030 17613 10238 1 14 . 1 1 127 127 LEU C C 127 177.990 177.990 178.798 -0.808 17613 10239 1 14 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.466 -0.249 17613 10240 1 14 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.704 0.369 17613 10241 1 14 . 1 1 127 127 LEU H H 127 7.882 7.882 7.535 0.347 17613 10242 1 14 . 1 1 128 128 GLU N N 128 119.775 119.775 121.627 -1.852 17613 10243 1 14 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.020 -0.112 17613 10244 1 14 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.950 -1.339 17613 10245 1 14 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.606 0.224 17613 10246 1 14 . 1 1 128 128 GLU H H 128 8.084 8.084 7.704 0.380 17613 10247 1 14 . 1 1 131 131 HIS N N 131 125.272 125.272 123.461 1.811 17613 10248 1 14 . 1 1 131 131 HIS H H 131 8.059 8.059 8.077 -0.018 17613 10249 1 15 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.852 -0.026 17613 10250 1 15 . 1 1 3 3 ILE C C 3 173.405 173.405 175.142 -1.737 17613 10251 1 15 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.284 -0.728 17613 10252 1 15 . 1 1 3 3 ILE CB C 3 40.508 40.508 38.916 1.592 17613 10253 1 15 . 1 1 3 3 ILE H H 3 8.444 8.444 8.558 -0.114 17613 10254 1 15 . 1 1 4 4 LEU N N 4 127.785 127.785 127.801 -0.016 17613 10255 1 15 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.146 0.313 17613 10256 1 15 . 1 1 4 4 LEU C C 4 174.832 174.832 176.190 -1.358 17613 10257 1 15 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.315 0.026 17613 10258 1 15 . 1 1 4 4 LEU CB C 4 45.313 45.313 44.573 0.740 17613 10259 1 15 . 1 1 4 4 LEU H H 4 9.081 9.081 8.489 0.592 17613 10260 1 15 . 1 1 5 5 ILE N N 5 123.010 123.010 122.425 0.585 17613 10261 1 15 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.777 0.056 17613 10262 1 15 . 1 1 5 5 ILE C C 5 173.357 173.357 174.843 -1.486 17613 10263 1 15 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.071 1.473 17613 10264 1 15 . 1 1 5 5 ILE CB C 5 39.532 39.532 37.340 2.192 17613 10265 1 15 . 1 1 5 5 ILE H H 5 8.765 8.765 8.218 0.547 17613 10266 1 15 . 1 1 6 6 LEU N N 6 129.320 129.320 130.060 -0.740 17613 10267 1 15 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.052 0.294 17613 10268 1 15 . 1 1 6 6 LEU C C 6 174.795 174.795 175.015 -0.220 17613 10269 1 15 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.583 -0.583 17613 10270 1 15 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.483 1.045 17613 10271 1 15 . 1 1 6 6 LEU H H 6 9.235 9.235 8.561 0.674 17613 10272 1 15 . 1 1 7 7 ILE N N 7 120.746 120.746 125.632 -4.886 17613 10273 1 15 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.904 0.277 17613 10274 1 15 . 1 1 7 7 ILE C C 7 173.819 173.819 173.810 0.009 17613 10275 1 15 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.342 -2.127 17613 10276 1 15 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.756 -1.602 17613 10277 1 15 . 1 1 7 7 ILE H H 7 8.931 8.931 9.152 -0.221 17613 10278 1 15 . 1 1 8 8 ASN N N 8 125.539 125.539 125.894 -0.355 17613 10279 1 15 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.633 0.269 17613 10280 1 15 . 1 1 8 8 ASN C C 8 176.478 176.478 173.582 2.896 17613 10281 1 15 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.964 -0.860 17613 10282 1 15 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.725 0.857 17613 10283 1 15 . 1 1 8 8 ASN H H 8 8.634 8.634 8.923 -0.289 17613 10284 1 15 . 1 1 9 9 THR N N 9 118.493 118.493 120.556 -2.063 17613 10285 1 15 . 1 1 9 9 THR HA H 9 4.739 4.739 5.150 -0.411 17613 10286 1 15 . 1 1 9 9 THR C C 9 170.114 170.114 174.481 -4.367 17613 10287 1 15 . 1 1 9 9 THR CA C 9 60.689 60.689 59.337 1.352 17613 10288 1 15 . 1 1 9 9 THR CB C 9 67.766 67.766 71.177 -3.411 17613 10289 1 15 . 1 1 9 9 THR H H 9 8.044 8.044 8.098 -0.054 17613 10290 1 15 . 1 1 10 10 ASN N N 10 123.266 123.266 125.021 -1.755 17613 10291 1 15 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.584 0.383 17613 10292 1 15 . 1 1 10 10 ASN C C 10 174.601 174.601 175.049 -0.448 17613 10293 1 15 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.795 -2.951 17613 10294 1 15 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.242 0.074 17613 10295 1 15 . 1 1 10 10 ASN H H 10 8.440 8.440 8.648 -0.208 17613 10296 1 15 . 1 1 11 11 ASN N N 11 120.920 120.920 118.065 2.855 17613 10297 1 15 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.895 -0.202 17613 10298 1 15 . 1 1 11 11 ASN C C 11 174.333 174.333 174.677 -0.344 17613 10299 1 15 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.142 0.294 17613 10300 1 15 . 1 1 11 11 ASN CB C 11 38.349 38.349 40.062 -1.714 17613 10301 1 15 . 1 1 11 11 ASN H H 11 8.366 8.366 7.702 0.664 17613 10302 1 15 . 1 1 12 12 ASP N N 12 126.315 126.315 124.120 2.195 17613 10303 1 15 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.360 -0.087 17613 10304 1 15 . 1 1 12 12 ASP C C 12 178.089 178.089 177.757 0.332 17613 10305 1 15 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.784 -0.176 17613 10306 1 15 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.697 0.464 17613 10307 1 15 . 1 1 12 12 ASP H H 12 8.586 8.586 9.005 -0.419 17613 10308 1 15 . 1 1 13 13 GLU N N 13 119.325 119.325 120.646 -1.321 17613 10309 1 15 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.063 -0.037 17613 10310 1 15 . 1 1 13 13 GLU C C 13 178.893 178.893 178.622 0.271 17613 10311 1 15 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.241 -0.235 17613 10312 1 15 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.402 -0.693 17613 10313 1 15 . 1 1 13 13 GLU H H 13 8.289 8.289 8.651 -0.362 17613 10314 1 15 . 1 1 14 14 LEU N N 14 121.683 121.683 119.087 2.596 17613 10315 1 15 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.093 -0.108 17613 10316 1 15 . 1 1 14 14 LEU C C 14 178.309 178.309 179.119 -0.810 17613 10317 1 15 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.179 0.082 17613 10318 1 15 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.958 -0.853 17613 10319 1 15 . 1 1 14 14 LEU H H 14 7.577 7.577 7.480 0.097 17613 10320 1 15 . 1 1 15 15 ILE N N 15 119.483 119.483 119.395 0.088 17613 10321 1 15 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.513 -0.294 17613 10322 1 15 . 1 1 15 15 ILE C C 15 177.138 177.138 177.802 -0.664 17613 10323 1 15 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.705 0.885 17613 10324 1 15 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.524 -0.100 17613 10325 1 15 . 1 1 15 15 ILE H H 15 8.238 8.238 7.641 0.597 17613 10326 1 15 . 1 1 16 16 LYS N N 16 117.596 117.596 118.164 -0.568 17613 10327 1 15 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.022 -0.179 17613 10328 1 15 . 1 1 16 16 LYS C C 16 179.577 179.577 178.874 0.703 17613 10329 1 15 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.343 0.826 17613 10330 1 15 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.061 0.103 17613 10331 1 15 . 1 1 16 16 LYS H H 16 7.604 7.604 7.670 -0.066 17613 10332 1 15 . 1 1 17 17 LYS N N 17 118.832 118.832 119.745 -0.913 17613 10333 1 15 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.140 -0.148 17613 10334 1 15 . 1 1 17 17 LYS C C 17 179.380 179.380 178.925 0.455 17613 10335 1 15 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.241 0.599 17613 10336 1 15 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.554 0.511 17613 10337 1 15 . 1 1 17 17 LYS H H 17 7.583 7.583 7.654 -0.071 17613 10338 1 15 . 1 1 18 18 ILE N N 18 120.961 120.961 120.710 0.251 17613 10339 1 15 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.601 -0.229 17613 10340 1 15 . 1 1 18 18 ILE C C 18 176.967 176.967 177.592 -0.625 17613 10341 1 15 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.161 0.313 17613 10342 1 15 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.657 -0.101 17613 10343 1 15 . 1 1 18 18 ILE H H 18 8.785 8.785 8.096 0.689 17613 10344 1 15 . 1 1 19 19 LYS N N 19 118.324 118.324 119.901 -1.577 17613 10345 1 15 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.897 -0.217 17613 10346 1 15 . 1 1 19 19 LYS C C 19 177.746 177.746 179.059 -1.313 17613 10347 1 15 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.970 0.883 17613 10348 1 15 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.053 0.273 17613 10349 1 15 . 1 1 19 19 LYS H H 19 8.532 8.532 7.755 0.777 17613 10350 1 15 . 1 1 20 20 LYS N N 20 116.284 116.284 118.139 -1.855 17613 10351 1 15 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.062 0.025 17613 10352 1 15 . 1 1 20 20 LYS C C 20 178.406 178.406 179.225 -0.819 17613 10353 1 15 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.648 -0.109 17613 10354 1 15 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.713 0.268 17613 10355 1 15 . 1 1 20 20 LYS H H 20 7.303 7.303 7.485 -0.182 17613 10356 1 15 . 1 1 21 21 GLU N N 21 118.488 118.488 118.137 0.351 17613 10357 1 15 . 1 1 21 21 GLU HA H 21 3.963 3.963 3.994 -0.031 17613 10358 1 15 . 1 1 21 21 GLU C C 21 179.088 179.088 178.665 0.423 17613 10359 1 15 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.179 -0.285 17613 10360 1 15 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.440 -0.006 17613 10361 1 15 . 1 1 21 21 GLU H H 21 7.665 7.665 7.834 -0.169 17613 10362 1 15 . 1 1 22 22 VAL N N 22 109.032 109.032 111.891 -2.859 17613 10363 1 15 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.112 0.020 17613 10364 1 15 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.782 -0.983 17613 10365 1 15 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.262 -2.433 17613 10366 1 15 . 1 1 22 22 VAL H H 22 8.037 8.037 7.648 0.389 17613 10367 1 15 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.624 0.093 17613 10368 1 15 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.313 3.495 17613 10369 1 15 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.297 -0.126 17613 10370 1 15 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.552 0.094 17613 10371 1 15 . 1 1 25 25 GLN C C 25 175.692 175.692 176.339 -0.647 17613 10372 1 15 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.719 0.299 17613 10373 1 15 . 1 1 26 26 GLY N N 26 106.368 106.368 108.690 -2.322 17613 10374 1 15 . 1 1 26 26 GLY C C 26 174.382 174.382 174.215 0.167 17613 10375 1 15 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.879 0.078 17613 10376 1 15 . 1 1 26 26 GLY H H 26 8.020 8.020 7.667 0.353 17613 10377 1 15 . 1 1 27 27 TYR N N 27 119.082 119.082 118.914 0.168 17613 10378 1 15 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.537 -0.104 17613 10379 1 15 . 1 1 27 27 TYR C C 27 174.528 174.528 175.595 -1.067 17613 10380 1 15 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.302 0.752 17613 10381 1 15 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.715 -0.710 17613 10382 1 15 . 1 1 27 27 TYR H H 27 7.845 7.845 8.312 -0.467 17613 10383 1 15 . 1 1 28 28 GLN N N 28 120.362 120.362 124.182 -3.820 17613 10384 1 15 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.454 0.045 17613 10385 1 15 . 1 1 28 28 GLN C C 28 174.625 174.625 175.222 -0.597 17613 10386 1 15 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.221 -0.841 17613 10387 1 15 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.212 2.243 17613 10388 1 15 . 1 1 28 28 GLN H H 28 8.338 8.338 8.626 -0.288 17613 10389 1 15 . 1 1 29 29 VAL N N 29 123.482 123.482 125.316 -1.834 17613 10390 1 15 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.048 0.995 17613 10391 1 15 . 1 1 29 29 VAL C C 29 175.820 175.820 176.498 -0.678 17613 10392 1 15 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.648 -1.160 17613 10393 1 15 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.845 0.628 17613 10394 1 15 . 1 1 29 29 VAL H H 29 8.776 8.776 8.554 0.222 17613 10395 1 15 . 1 1 30 30 ARG N N 30 127.787 127.787 127.301 0.486 17613 10396 1 15 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.793 -0.053 17613 10397 1 15 . 1 1 30 30 ARG C C 30 173.332 173.332 174.209 -0.877 17613 10398 1 15 . 1 1 30 30 ARG CA C 30 53.788 53.788 54.253 -0.465 17613 10399 1 15 . 1 1 30 30 ARG CB C 30 32.391 32.391 33.555 -1.164 17613 10400 1 15 . 1 1 30 30 ARG H H 30 9.135 9.135 8.999 0.136 17613 10401 1 15 . 1 1 31 31 ASP N N 31 121.895 121.895 120.501 1.394 17613 10402 1 15 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.518 -0.308 17613 10403 1 15 . 1 1 31 31 ASP C C 31 175.282 175.282 174.660 0.622 17613 10404 1 15 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.853 0.517 17613 10405 1 15 . 1 1 31 31 ASP CB C 31 42.722 42.722 43.304 -0.582 17613 10406 1 15 . 1 1 31 31 ASP H H 31 8.377 8.377 8.416 -0.039 17613 10407 1 15 . 1 1 32 32 VAL N N 32 120.426 120.426 122.232 -1.806 17613 10408 1 15 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.409 -0.161 17613 10409 1 15 . 1 1 32 32 VAL C C 32 174.114 174.114 175.406 -1.292 17613 10410 1 15 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.051 0.506 17613 10411 1 15 . 1 1 32 32 VAL CB C 32 33.884 33.884 31.588 2.296 17613 10412 1 15 . 1 1 32 32 VAL H H 32 8.441 8.441 8.699 -0.258 17613 10413 1 15 . 1 1 33 33 ASN N N 33 122.700 122.700 124.577 -1.877 17613 10414 1 15 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.743 0.234 17613 10415 1 15 . 1 1 33 33 ASN C C 33 174.235 174.235 174.895 -0.660 17613 10416 1 15 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.229 0.167 17613 10417 1 15 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.054 0.815 17613 10418 1 15 . 1 1 33 33 ASN H H 33 9.550 9.550 8.966 0.584 17613 10419 1 15 . 1 1 34 34 ASP N N 34 114.885 114.885 118.728 -3.843 17613 10420 1 15 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.837 -0.134 17613 10421 1 15 . 1 1 34 34 ASP C C 34 175.626 175.626 176.567 -0.941 17613 10422 1 15 . 1 1 34 34 ASP CA C 34 53.483 53.483 53.065 0.418 17613 10423 1 15 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.822 -1.426 17613 10424 1 15 . 1 1 34 34 ASP H H 34 7.616 7.616 7.890 -0.274 17613 10425 1 15 . 1 1 35 35 SER N N 35 114.381 114.381 120.012 -5.631 17613 10426 1 15 . 1 1 35 35 SER HA H 35 4.046 4.046 4.102 -0.056 17613 10427 1 15 . 1 1 35 35 SER C C 35 175.991 175.991 176.007 -0.016 17613 10428 1 15 . 1 1 35 35 SER CA C 35 61.446 61.446 61.747 -0.301 17613 10429 1 15 . 1 1 35 35 SER CB C 35 62.764 62.764 63.359 -0.595 17613 10430 1 15 . 1 1 35 35 SER H H 35 8.869 8.869 8.862 0.007 17613 10431 1 15 . 1 1 36 36 ASP N N 36 124.695 124.695 121.335 3.360 17613 10432 1 15 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.375 0.144 17613 10433 1 15 . 1 1 36 36 ASP C C 36 179.136 179.136 178.024 1.112 17613 10434 1 15 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.343 0.325 17613 10435 1 15 . 1 1 36 36 ASP CB C 36 40.284 40.284 41.007 -0.723 17613 10436 1 15 . 1 1 36 36 ASP H H 36 8.388 8.388 8.281 0.107 17613 10437 1 15 . 1 1 37 37 GLU N N 37 122.449 122.449 119.651 2.798 17613 10438 1 15 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.055 0.004 17613 10439 1 15 . 1 1 37 37 GLU C C 37 178.698 178.698 178.967 -0.269 17613 10440 1 15 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.720 0.489 17613 10441 1 15 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.642 0.079 17613 10442 1 15 . 1 1 37 37 GLU H H 37 9.009 9.009 7.641 1.368 17613 10443 1 15 . 1 1 38 38 LEU N N 38 119.580 119.580 122.046 -2.466 17613 10444 1 15 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.976 -0.065 17613 10445 1 15 . 1 1 38 38 LEU C C 38 177.649 177.649 178.429 -0.780 17613 10446 1 15 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.368 0.765 17613 10447 1 15 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.099 -1.030 17613 10448 1 15 . 1 1 38 38 LEU H H 38 8.203 8.203 7.742 0.461 17613 10449 1 15 . 1 1 39 39 LYS N N 39 118.404 118.404 117.484 0.920 17613 10450 1 15 . 1 1 39 39 LYS HA H 39 3.841 3.841 4.024 -0.183 17613 10451 1 15 . 1 1 39 39 LYS C C 39 179.577 179.577 179.436 0.141 17613 10452 1 15 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.399 0.467 17613 10453 1 15 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.228 -0.180 17613 10454 1 15 . 1 1 39 39 LYS H H 39 7.829 7.829 7.924 -0.095 17613 10455 1 15 . 1 1 40 40 LYS N N 40 119.271 119.271 119.416 -0.145 17613 10456 1 15 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.101 -0.079 17613 10457 1 15 . 1 1 40 40 LYS C C 40 179.577 179.577 179.008 0.569 17613 10458 1 15 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.894 0.696 17613 10459 1 15 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.331 0.069 17613 10460 1 15 . 1 1 40 40 LYS H H 40 7.779 7.779 7.547 0.232 17613 10461 1 15 . 1 1 41 41 GLU N N 41 119.647 119.647 119.037 0.610 17613 10462 1 15 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.109 0.154 17613 10463 1 15 . 1 1 41 41 GLU C C 41 179.504 179.504 179.241 0.263 17613 10464 1 15 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.984 -0.910 17613 10465 1 15 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.041 -0.794 17613 10466 1 15 . 1 1 41 41 GLU H H 41 8.721 8.721 8.132 0.589 17613 10467 1 15 . 1 1 42 42 MET N N 42 118.114 118.114 118.576 -0.462 17613 10468 1 15 . 1 1 42 42 MET HA H 42 4.383 4.383 4.338 0.045 17613 10469 1 15 . 1 1 42 42 MET C C 42 179.185 179.185 178.563 0.622 17613 10470 1 15 . 1 1 42 42 MET CA C 42 57.054 57.054 57.225 -0.171 17613 10471 1 15 . 1 1 42 42 MET CB C 42 31.254 31.254 31.999 -0.745 17613 10472 1 15 . 1 1 42 42 MET H H 42 8.779 8.779 7.633 1.146 17613 10473 1 15 . 1 1 43 43 LYS N N 43 120.740 120.740 119.322 1.418 17613 10474 1 15 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.056 0.032 17613 10475 1 15 . 1 1 43 43 LYS C C 43 178.187 178.187 179.136 -0.949 17613 10476 1 15 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.138 0.252 17613 10477 1 15 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.159 -0.197 17613 10478 1 15 . 1 1 43 43 LYS H H 43 7.499 7.499 7.703 -0.204 17613 10479 1 15 . 1 1 44 44 LYS N N 44 118.269 118.269 119.360 -1.091 17613 10480 1 15 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.340 -0.279 17613 10481 1 15 . 1 1 44 44 LYS C C 44 179.601 179.601 179.006 0.595 17613 10482 1 15 . 1 1 44 44 LYS CA C 44 59.500 59.500 57.953 1.548 17613 10483 1 15 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.948 0.122 17613 10484 1 15 . 1 1 44 44 LYS H H 44 7.445 7.445 7.662 -0.217 17613 10485 1 15 . 1 1 45 45 LEU N N 45 117.785 117.785 119.501 -1.716 17613 10486 1 15 . 1 1 45 45 LEU HA H 45 4.148 4.148 3.981 0.167 17613 10487 1 15 . 1 1 45 45 LEU C C 45 178.357 178.357 178.749 -0.392 17613 10488 1 15 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.893 -0.706 17613 10489 1 15 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.306 0.467 17613 10490 1 15 . 1 1 45 45 LEU H H 45 8.161 8.161 7.918 0.243 17613 10491 1 15 . 1 1 46 46 ALA N N 46 118.538 118.538 119.309 -0.771 17613 10492 1 15 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.280 -0.028 17613 10493 1 15 . 1 1 46 46 ALA C C 46 178.893 178.893 178.111 0.782 17613 10494 1 15 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.338 -0.666 17613 10495 1 15 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.707 0.175 17613 10496 1 15 . 1 1 46 46 ALA H H 46 7.637 7.637 7.662 -0.025 17613 10497 1 15 . 1 1 47 47 GLU N N 47 115.492 115.492 117.038 -1.546 17613 10498 1 15 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.314 -0.064 17613 10499 1 15 . 1 1 47 47 GLU C C 47 176.478 176.478 178.337 -1.859 17613 10500 1 15 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.716 -0.785 17613 10501 1 15 . 1 1 47 47 GLU CB C 47 30.417 30.417 29.859 0.558 17613 10502 1 15 . 1 1 47 47 GLU H H 47 7.713 7.713 7.685 0.028 17613 10503 1 15 . 1 1 48 48 GLU N N 48 120.573 120.573 118.224 2.349 17613 10504 1 15 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.208 0.165 17613 10505 1 15 . 1 1 48 48 GLU C C 48 173.624 173.624 177.255 -3.631 17613 10506 1 15 . 1 1 48 48 GLU CA C 48 56.021 56.021 57.721 -1.700 17613 10507 1 15 . 1 1 48 48 GLU CB C 48 29.910 29.910 30.312 -0.402 17613 10508 1 15 . 1 1 48 48 GLU H H 48 7.748 7.748 8.091 -0.344 17613 10509 1 15 . 1 1 49 49 LYS N N 49 124.420 124.420 116.610 7.810 17613 10510 1 15 . 1 1 49 49 LYS HA H 49 4.318 4.318 3.796 0.522 17613 10511 1 15 . 1 1 49 49 LYS C C 49 176.843 176.843 175.967 0.876 17613 10512 1 15 . 1 1 49 49 LYS CA C 49 56.517 56.517 59.049 -2.532 17613 10513 1 15 . 1 1 49 49 LYS CB C 49 32.462 32.462 30.778 1.684 17613 10514 1 15 . 1 1 49 49 LYS H H 49 8.607 8.607 8.047 0.560 17613 10515 1 15 . 1 1 50 50 ASN N N 50 117.993 117.993 117.167 0.826 17613 10516 1 15 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.326 0.298 17613 10517 1 15 . 1 1 50 50 ASN C C 50 176.454 176.454 176.161 0.293 17613 10518 1 15 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.523 0.032 17613 10519 1 15 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.268 -0.232 17613 10520 1 15 . 1 1 50 50 ASN H H 50 8.723 8.723 7.968 0.755 17613 10521 1 15 . 1 1 51 51 PHE N N 51 120.700 120.700 116.398 4.302 17613 10522 1 15 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.504 0.254 17613 10523 1 15 . 1 1 51 51 PHE CA C 51 57.935 57.935 58.253 -0.318 17613 10524 1 15 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.171 0.804 17613 10525 1 15 . 1 1 51 51 PHE H H 51 8.341 8.341 8.765 -0.424 17613 10526 1 15 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.067 0.191 17613 10527 1 15 . 1 1 52 52 GLU C C 52 173.600 173.600 176.597 -2.997 17613 10528 1 15 . 1 1 52 52 GLU CA C 52 56.254 56.254 57.620 -1.366 17613 10529 1 15 . 1 1 52 52 GLU CB C 52 33.459 33.459 29.179 4.280 17613 10530 1 15 . 1 1 53 53 LYS N N 53 119.964 119.964 126.274 -6.310 17613 10531 1 15 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.735 -0.046 17613 10532 1 15 . 1 1 53 53 LYS C C 53 174.430 174.430 175.658 -1.228 17613 10533 1 15 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.348 0.008 17613 10534 1 15 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.912 -0.467 17613 10535 1 15 . 1 1 53 53 LYS H H 53 7.962 7.962 8.010 -0.048 17613 10536 1 15 . 1 1 54 54 ILE N N 54 124.730 124.730 125.274 -0.544 17613 10537 1 15 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.615 0.231 17613 10538 1 15 . 1 1 54 54 ILE C C 54 173.089 173.089 175.176 -2.087 17613 10539 1 15 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.761 0.503 17613 10540 1 15 . 1 1 54 54 ILE CB C 54 41.953 41.953 37.433 4.520 17613 10541 1 15 . 1 1 54 54 ILE H H 54 8.804 8.804 7.830 0.974 17613 10542 1 15 . 1 1 55 55 LEU N N 55 130.086 130.086 130.383 -0.297 17613 10543 1 15 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.935 0.706 17613 10544 1 15 . 1 1 55 55 LEU C C 55 174.430 174.430 175.064 -0.634 17613 10545 1 15 . 1 1 55 55 LEU CA C 55 53.502 53.502 54.000 -0.498 17613 10546 1 15 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.366 0.836 17613 10547 1 15 . 1 1 55 55 LEU H H 55 9.103 9.103 8.603 0.500 17613 10548 1 15 . 1 1 56 56 ILE N N 56 125.983 125.983 126.574 -0.591 17613 10549 1 15 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.429 0.628 17613 10550 1 15 . 1 1 56 56 ILE C C 56 174.089 174.089 174.610 -0.521 17613 10551 1 15 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.646 0.464 17613 10552 1 15 . 1 1 56 56 ILE CB C 56 39.823 39.823 37.658 2.165 17613 10553 1 15 . 1 1 56 56 ILE H H 56 9.182 9.182 8.723 0.459 17613 10554 1 15 . 1 1 57 57 ILE N N 57 127.241 127.241 128.779 -1.538 17613 10555 1 15 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.741 0.171 17613 10556 1 15 . 1 1 57 57 ILE C C 57 174.869 174.869 175.224 -0.355 17613 10557 1 15 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.856 -1.601 17613 10558 1 15 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.276 -0.325 17613 10559 1 15 . 1 1 57 57 ILE H H 57 8.541 8.541 8.533 0.008 17613 10560 1 15 . 1 1 58 58 SER N N 58 119.270 119.270 121.717 -2.447 17613 10561 1 15 . 1 1 58 58 SER HA H 58 5.007 5.007 5.118 -0.111 17613 10562 1 15 . 1 1 58 58 SER C C 58 174.211 174.211 174.271 -0.060 17613 10563 1 15 . 1 1 58 58 SER CA C 58 56.727 56.727 56.569 0.159 17613 10564 1 15 . 1 1 58 58 SER CB C 58 66.615 66.615 64.974 1.641 17613 10565 1 15 . 1 1 58 58 SER H H 58 8.810 8.810 8.784 0.026 17613 10566 1 15 . 1 1 59 59 ASN N N 59 122.382 122.382 126.271 -3.889 17613 10567 1 15 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.812 -0.101 17613 10568 1 15 . 1 1 59 59 ASN C C 59 174.795 174.795 174.524 0.271 17613 10569 1 15 . 1 1 59 59 ASN CA C 59 52.507 52.507 55.191 -2.684 17613 10570 1 15 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.294 -0.332 17613 10571 1 15 . 1 1 59 59 ASN H H 59 8.794 8.794 8.956 -0.162 17613 10572 1 15 . 1 1 60 60 ASP N N 60 119.744 119.744 118.826 0.918 17613 10573 1 15 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.815 0.048 17613 10574 1 15 . 1 1 60 60 ASP C C 60 176.015 176.015 176.254 -0.239 17613 10575 1 15 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.824 0.273 17613 10576 1 15 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.292 -0.343 17613 10577 1 15 . 1 1 60 60 ASP H H 60 7.857 7.857 7.417 0.440 17613 10578 1 15 . 1 1 61 61 LYS N N 61 125.818 125.818 124.930 0.888 17613 10579 1 15 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.127 -0.405 17613 10580 1 15 . 1 1 61 61 LYS C C 61 177.673 177.673 178.054 -0.381 17613 10581 1 15 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.163 0.469 17613 10582 1 15 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.592 -1.074 17613 10583 1 15 . 1 1 61 61 LYS H H 61 8.904 8.904 8.696 0.208 17613 10584 1 15 . 1 1 62 62 GLN N N 62 118.918 118.918 120.302 -1.384 17613 10585 1 15 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.051 0.054 17613 10586 1 15 . 1 1 62 62 GLN C C 62 178.747 178.747 177.707 1.040 17613 10587 1 15 . 1 1 62 62 GLN CA C 62 58.301 58.301 59.038 -0.737 17613 10588 1 15 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.603 -1.155 17613 10589 1 15 . 1 1 62 62 GLN H H 62 8.434 8.434 7.870 0.564 17613 10590 1 15 . 1 1 63 63 LEU N N 63 120.071 120.071 119.683 0.388 17613 10591 1 15 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.002 0.132 17613 10592 1 15 . 1 1 63 63 LEU C C 63 178.552 178.552 179.042 -0.490 17613 10593 1 15 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.493 -0.850 17613 10594 1 15 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.773 -0.879 17613 10595 1 15 . 1 1 63 63 LEU H H 63 7.671 7.671 8.034 -0.363 17613 10596 1 15 . 1 1 64 64 LEU N N 64 117.705 117.705 119.699 -1.994 17613 10597 1 15 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.900 0.007 17613 10598 1 15 . 1 1 64 64 LEU C C 64 172.526 172.526 178.463 -5.937 17613 10599 1 15 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.305 -0.527 17613 10600 1 15 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.844 -0.494 17613 10601 1 15 . 1 1 64 64 LEU H H 64 7.626 7.626 7.560 0.066 17613 10602 1 15 . 1 1 65 65 LYS N N 65 118.311 118.311 119.090 -0.779 17613 10603 1 15 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.983 -0.189 17613 10604 1 15 . 1 1 65 65 LYS C C 65 178.479 178.479 179.028 -0.549 17613 10605 1 15 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.051 0.175 17613 10606 1 15 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.185 0.081 17613 10607 1 15 . 1 1 65 65 LYS H H 65 8.038 8.038 7.817 0.221 17613 10608 1 15 . 1 1 66 66 GLU N N 66 119.362 119.362 119.014 0.348 17613 10609 1 15 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.044 -0.018 17613 10610 1 15 . 1 1 66 66 GLU C C 66 178.893 178.893 179.217 -0.324 17613 10611 1 15 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.837 0.282 17613 10612 1 15 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.176 0.086 17613 10613 1 15 . 1 1 66 66 GLU H H 66 7.803 7.803 7.838 -0.035 17613 10614 1 15 . 1 1 67 67 MET N N 67 118.398 118.398 120.115 -1.717 17613 10615 1 15 . 1 1 67 67 MET HA H 67 3.948 3.948 4.160 -0.212 17613 10616 1 15 . 1 1 67 67 MET C C 67 177.527 177.527 178.312 -0.785 17613 10617 1 15 . 1 1 67 67 MET CA C 67 59.963 59.963 58.115 1.848 17613 10618 1 15 . 1 1 67 67 MET CB C 67 33.443 33.443 32.392 1.051 17613 10619 1 15 . 1 1 67 67 MET H H 67 8.394 8.394 8.111 0.283 17613 10620 1 15 . 1 1 68 68 LEU N N 68 118.269 118.269 118.791 -0.522 17613 10621 1 15 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.817 -0.038 17613 10622 1 15 . 1 1 68 68 LEU C C 68 178.869 178.869 179.270 -0.401 17613 10623 1 15 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.731 0.210 17613 10624 1 15 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.166 -0.291 17613 10625 1 15 . 1 1 68 68 LEU H H 68 8.471 8.471 8.032 0.439 17613 10626 1 15 . 1 1 69 69 GLU N N 69 118.681 118.681 119.183 -0.502 17613 10627 1 15 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.021 0.034 17613 10628 1 15 . 1 1 69 69 GLU C C 69 179.063 179.063 179.206 -0.143 17613 10629 1 15 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.361 0.063 17613 10630 1 15 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.628 -0.488 17613 10631 1 15 . 1 1 69 69 GLU H H 69 7.627 7.627 7.882 -0.255 17613 10632 1 15 . 1 1 70 70 LEU N N 70 119.503 119.503 120.135 -0.632 17613 10633 1 15 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.047 0.114 17613 10634 1 15 . 1 1 70 70 LEU C C 70 179.699 179.699 179.080 0.619 17613 10635 1 15 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.622 0.152 17613 10636 1 15 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.974 -0.030 17613 10637 1 15 . 1 1 70 70 LEU H H 70 7.717 7.717 7.729 -0.012 17613 10638 1 15 . 1 1 71 71 ILE N N 71 116.791 116.791 118.820 -2.029 17613 10639 1 15 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.685 0.052 17613 10640 1 15 . 1 1 71 71 ILE C C 71 178.357 178.357 178.158 0.199 17613 10641 1 15 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.351 -1.109 17613 10642 1 15 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.691 0.210 17613 10643 1 15 . 1 1 71 71 ILE H H 71 8.598 8.598 8.199 0.399 17613 10644 1 15 . 1 1 72 72 SER N N 72 116.517 116.517 115.106 1.411 17613 10645 1 15 . 1 1 72 72 SER HA H 72 4.365 4.365 4.235 0.130 17613 10646 1 15 . 1 1 72 72 SER C C 72 176.845 176.845 175.829 1.016 17613 10647 1 15 . 1 1 72 72 SER CA C 72 61.365 61.365 61.263 0.102 17613 10648 1 15 . 1 1 72 72 SER CB C 72 62.780 62.780 62.921 -0.141 17613 10649 1 15 . 1 1 72 72 SER H H 72 8.023 8.023 8.166 -0.143 17613 10650 1 15 . 1 1 73 73 LYS N N 73 120.731 120.731 119.834 0.897 17613 10651 1 15 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.204 0.087 17613 10652 1 15 . 1 1 73 73 LYS C C 73 177.771 177.771 177.448 0.323 17613 10653 1 15 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.383 0.093 17613 10654 1 15 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.651 -0.505 17613 10655 1 15 . 1 1 73 73 LYS H H 73 7.723 7.723 7.488 0.235 17613 10656 1 15 . 1 1 74 74 LEU N N 74 117.572 117.572 117.482 0.090 17613 10657 1 15 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.292 -0.065 17613 10658 1 15 . 1 1 74 74 LEU C C 74 177.332 177.332 177.611 -0.279 17613 10659 1 15 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.385 -0.186 17613 10660 1 15 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.882 -1.396 17613 10661 1 15 . 1 1 74 74 LEU H H 74 7.609 7.609 7.376 0.233 17613 10662 1 15 . 1 1 75 75 GLY N N 75 105.991 105.991 106.701 -0.710 17613 10663 1 15 . 1 1 75 75 GLY C C 75 174.771 174.771 173.586 1.185 17613 10664 1 15 . 1 1 75 75 GLY CA C 75 45.842 45.842 44.606 1.236 17613 10665 1 15 . 1 1 75 75 GLY H H 75 7.925 7.925 7.807 0.118 17613 10666 1 15 . 1 1 76 76 TYR N N 76 118.452 118.452 120.241 -1.789 17613 10667 1 15 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.615 0.163 17613 10668 1 15 . 1 1 76 76 TYR C C 76 175.234 175.234 175.243 -0.009 17613 10669 1 15 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.288 -0.784 17613 10670 1 15 . 1 1 76 76 TYR CB C 76 37.962 37.962 41.697 -3.735 17613 10671 1 15 . 1 1 76 76 TYR H H 76 7.366 7.366 7.898 -0.532 17613 10672 1 15 . 1 1 77 77 LYS N N 77 122.866 122.866 124.472 -1.606 17613 10673 1 15 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.318 0.230 17613 10674 1 15 . 1 1 77 77 LYS C C 77 174.138 174.138 175.358 -1.220 17613 10675 1 15 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.681 -0.611 17613 10676 1 15 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.544 0.673 17613 10677 1 15 . 1 1 77 77 LYS H H 77 8.290 8.290 8.539 -0.249 17613 10678 1 15 . 1 1 78 78 VAL N N 78 124.071 124.071 127.233 -3.162 17613 10679 1 15 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.899 0.267 17613 10680 1 15 . 1 1 78 78 VAL C C 78 174.162 174.162 174.868 -0.706 17613 10681 1 15 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.672 -1.443 17613 10682 1 15 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.267 1.088 17613 10683 1 15 . 1 1 78 78 VAL H H 78 7.830 7.830 7.858 -0.028 17613 10684 1 15 . 1 1 79 79 PHE N N 79 126.174 126.174 126.841 -0.667 17613 10685 1 15 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.495 0.072 17613 10686 1 15 . 1 1 79 79 PHE C C 79 173.357 173.357 174.213 -0.856 17613 10687 1 15 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.585 -0.632 17613 10688 1 15 . 1 1 79 79 PHE CB C 79 40.184 40.184 39.583 0.601 17613 10689 1 15 . 1 1 79 79 PHE H H 79 8.374 8.374 8.770 -0.396 17613 10690 1 15 . 1 1 80 80 LEU N N 80 123.959 123.959 126.745 -2.786 17613 10691 1 15 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.466 0.080 17613 10692 1 15 . 1 1 80 80 LEU C C 80 173.503 173.503 174.994 -1.491 17613 10693 1 15 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.168 0.830 17613 10694 1 15 . 1 1 80 80 LEU CB C 80 45.667 45.667 44.699 0.968 17613 10695 1 15 . 1 1 80 80 LEU H H 80 8.601 8.601 8.643 -0.042 17613 10696 1 15 . 1 1 81 81 LEU N N 81 126.694 126.694 129.186 -2.492 17613 10697 1 15 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.147 0.122 17613 10698 1 15 . 1 1 81 81 LEU C C 81 173.649 173.649 174.524 -0.875 17613 10699 1 15 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.540 -0.476 17613 10700 1 15 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.749 1.028 17613 10701 1 15 . 1 1 81 81 LEU H H 81 9.063 9.063 9.130 -0.067 17613 10702 1 15 . 1 1 82 82 LEU N N 82 124.888 124.888 127.939 -3.051 17613 10703 1 15 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.912 -0.001 17613 10704 1 15 . 1 1 82 82 LEU C C 82 174.479 174.479 174.988 -0.509 17613 10705 1 15 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.891 -0.756 17613 10706 1 15 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.048 1.174 17613 10707 1 15 . 1 1 82 82 LEU H H 82 8.864 8.864 9.201 -0.337 17613 10708 1 15 . 1 1 83 83 GLN N N 83 122.153 122.153 125.449 -3.296 17613 10709 1 15 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.231 0.029 17613 10710 1 15 . 1 1 83 83 GLN C C 83 174.333 174.333 174.546 -0.213 17613 10711 1 15 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.067 0.519 17613 10712 1 15 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.584 -1.714 17613 10713 1 15 . 1 1 83 83 GLN H H 83 8.437 8.437 8.916 -0.479 17613 10714 1 15 . 1 1 84 84 ASP N N 84 124.451 124.451 125.541 -1.090 17613 10715 1 15 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.906 -0.404 17613 10716 1 15 . 1 1 84 84 ASP C C 84 174.308 174.308 175.512 -1.204 17613 10717 1 15 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.603 0.412 17613 10718 1 15 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.366 -0.595 17613 10719 1 15 . 1 1 84 84 ASP H H 84 8.205 8.205 8.315 -0.110 17613 10720 1 15 . 1 1 85 85 GLN N N 85 120.202 120.202 119.990 0.212 17613 10721 1 15 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.275 0.059 17613 10722 1 15 . 1 1 85 85 GLN C C 85 175.431 175.431 176.069 -0.638 17613 10723 1 15 . 1 1 85 85 GLN CA C 85 56.595 56.595 56.794 -0.199 17613 10724 1 15 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.599 -0.265 17613 10725 1 15 . 1 1 85 85 GLN H H 85 8.617 8.617 8.571 0.046 17613 10726 1 15 . 1 1 86 86 ASP N N 86 120.508 120.508 121.482 -0.974 17613 10727 1 15 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.879 -0.194 17613 10728 1 15 . 1 1 86 86 ASP C C 86 175.747 175.747 175.485 0.262 17613 10729 1 15 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.772 -0.260 17613 10730 1 15 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.830 0.127 17613 10731 1 15 . 1 1 86 86 ASP H H 86 8.691 8.691 8.192 0.499 17613 10732 1 15 . 1 1 87 87 GLU N N 87 123.604 123.604 121.664 1.940 17613 10733 1 15 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.120 -0.085 17613 10734 1 15 . 1 1 87 87 GLU C C 87 177.771 177.771 177.625 0.146 17613 10735 1 15 . 1 1 87 87 GLU CA C 87 58.522 58.522 58.601 -0.079 17613 10736 1 15 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.931 -0.356 17613 10737 1 15 . 1 1 87 87 GLU H H 87 8.642 8.642 8.779 -0.137 17613 10738 1 15 . 1 1 88 88 ASN N N 88 118.838 118.838 117.728 1.110 17613 10739 1 15 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.469 0.092 17613 10740 1 15 . 1 1 88 88 ASN C C 88 177.089 177.089 177.169 -0.080 17613 10741 1 15 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.713 -1.071 17613 10742 1 15 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.944 0.223 17613 10743 1 15 . 1 1 88 88 ASN H H 88 8.527 8.527 8.418 0.109 17613 10744 1 15 . 1 1 89 89 GLU N N 89 120.947 120.947 119.818 1.129 17613 10745 1 15 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.125 0.022 17613 10746 1 15 . 1 1 89 89 GLU C C 89 178.357 178.357 178.823 -0.466 17613 10747 1 15 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.605 -0.354 17613 10748 1 15 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.025 0.219 17613 10749 1 15 . 1 1 89 89 GLU H H 89 8.221 8.221 8.048 0.173 17613 10750 1 15 . 1 1 90 90 LEU N N 90 119.582 119.582 120.724 -1.142 17613 10751 1 15 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.183 0.022 17613 10752 1 15 . 1 1 90 90 LEU C C 90 177.917 177.917 178.659 -0.742 17613 10753 1 15 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.870 -0.925 17613 10754 1 15 . 1 1 90 90 LEU CB C 90 42.456 42.456 42.198 0.258 17613 10755 1 15 . 1 1 90 90 LEU H H 90 8.047 8.047 7.739 0.308 17613 10756 1 15 . 1 1 91 91 GLU N N 91 119.029 119.029 119.181 -0.152 17613 10757 1 15 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.041 0.032 17613 10758 1 15 . 1 1 91 91 GLU C C 91 178.284 178.284 178.725 -0.441 17613 10759 1 15 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.840 -0.711 17613 10760 1 15 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.437 -0.467 17613 10761 1 15 . 1 1 91 91 GLU H H 91 7.940 7.940 8.061 -0.121 17613 10762 1 15 . 1 1 92 92 GLU N N 92 118.667 118.667 118.644 0.023 17613 10763 1 15 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.103 -0.071 17613 10764 1 15 . 1 1 92 92 GLU C C 92 178.103 178.103 179.052 -0.949 17613 10765 1 15 . 1 1 92 92 GLU CA C 92 59.252 59.252 58.944 0.308 17613 10766 1 15 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.328 -0.396 17613 10767 1 15 . 1 1 92 92 GLU H H 92 8.088 8.088 7.720 0.368 17613 10768 1 15 . 1 1 93 93 PHE N N 93 120.118 120.118 119.867 0.251 17613 10769 1 15 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.423 -0.083 17613 10770 1 15 . 1 1 93 93 PHE C C 93 176.894 176.894 176.686 0.208 17613 10771 1 15 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.235 1.210 17613 10772 1 15 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.760 -0.773 17613 10773 1 15 . 1 1 93 93 PHE H H 93 8.103 8.103 7.681 0.422 17613 10774 1 15 . 1 1 94 94 LYS N N 94 118.941 118.941 120.676 -1.735 17613 10775 1 15 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.734 -0.117 17613 10776 1 15 . 1 1 94 94 LYS C C 94 177.600 177.600 178.557 -0.957 17613 10777 1 15 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.922 0.154 17613 10778 1 15 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.464 0.001 17613 10779 1 15 . 1 1 94 94 LYS H H 94 8.606 8.606 8.279 0.327 17613 10780 1 15 . 1 1 95 95 ARG N N 95 117.194 117.194 117.085 0.109 17613 10781 1 15 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.236 -0.086 17613 10782 1 15 . 1 1 95 95 ARG C C 95 179.404 179.404 178.691 0.713 17613 10783 1 15 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.826 0.277 17613 10784 1 15 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.788 0.031 17613 10785 1 15 . 1 1 95 95 ARG H H 95 8.159 8.159 7.970 0.189 17613 10786 1 15 . 1 1 96 96 LYS N N 96 119.582 119.582 119.371 0.211 17613 10787 1 15 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.073 -0.008 17613 10788 1 15 . 1 1 96 96 LYS C C 96 179.034 179.034 178.587 0.447 17613 10789 1 15 . 1 1 96 96 LYS CA C 96 58.934 58.934 58.981 -0.047 17613 10790 1 15 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.019 0.050 17613 10791 1 15 . 1 1 96 96 LYS H H 96 7.786 7.786 7.642 0.144 17613 10792 1 15 . 1 1 97 97 ILE N N 97 118.550 118.550 119.009 -0.459 17613 10793 1 15 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.760 0.178 17613 10794 1 15 . 1 1 97 97 ILE C C 97 178.284 178.284 178.603 -0.319 17613 10795 1 15 . 1 1 97 97 ILE CA C 97 62.569 62.569 64.269 -1.700 17613 10796 1 15 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.795 -0.589 17613 10797 1 15 . 1 1 97 97 ILE H H 97 7.831 7.831 7.584 0.247 17613 10798 1 15 . 1 1 98 98 GLU N N 98 121.984 121.984 120.483 1.501 17613 10799 1 15 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.276 0.060 17613 10800 1 15 . 1 1 98 98 GLU C C 98 180.040 180.040 178.904 1.136 17613 10801 1 15 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.911 0.039 17613 10802 1 15 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.419 0.015 17613 10803 1 15 . 1 1 98 98 GLU H H 98 8.670 8.670 8.548 0.122 17613 10804 1 15 . 1 1 99 99 SER N N 99 115.499 115.499 114.983 0.516 17613 10805 1 15 . 1 1 99 99 SER HA H 99 4.343 4.343 4.337 0.006 17613 10806 1 15 . 1 1 99 99 SER C C 99 174.820 174.820 175.849 -1.029 17613 10807 1 15 . 1 1 99 99 SER CA C 99 60.410 60.410 60.360 0.050 17613 10808 1 15 . 1 1 99 99 SER CB C 99 62.680 62.680 63.217 -0.537 17613 10809 1 15 . 1 1 99 99 SER H H 99 8.099 8.099 7.691 0.408 17613 10810 1 15 . 1 1 100 100 GLN N N 100 119.301 119.301 119.479 -0.178 17613 10811 1 15 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.373 -0.063 17613 10812 1 15 . 1 1 100 100 GLN C C 100 175.857 175.857 175.591 0.266 17613 10813 1 15 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.365 0.561 17613 10814 1 15 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.225 -0.013 17613 10815 1 15 . 1 1 100 100 GLN H H 100 7.623 7.623 7.345 0.278 17613 10816 1 15 . 1 1 101 101 GLY N N 101 105.765 105.765 107.127 -1.362 17613 10817 1 15 . 1 1 101 101 GLY C C 101 173.748 173.748 173.866 -0.118 17613 10818 1 15 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.893 0.310 17613 10819 1 15 . 1 1 101 101 GLY H H 101 7.945 7.945 7.433 0.512 17613 10820 1 15 . 1 1 102 102 TYR N N 102 117.993 117.993 117.665 0.328 17613 10821 1 15 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.501 0.171 17613 10822 1 15 . 1 1 102 102 TYR C C 102 174.747 174.747 175.255 -0.508 17613 10823 1 15 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.676 -0.422 17613 10824 1 15 . 1 1 102 102 TYR CB C 102 39.048 39.048 41.193 -2.145 17613 10825 1 15 . 1 1 102 102 TYR H H 102 6.890 6.890 7.368 -0.478 17613 10826 1 15 . 1 1 103 103 GLU N N 103 122.864 122.864 124.929 -2.065 17613 10827 1 15 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.400 0.107 17613 10828 1 15 . 1 1 103 103 GLU C C 103 174.162 174.162 175.110 -0.948 17613 10829 1 15 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.548 0.836 17613 10830 1 15 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.899 1.472 17613 10831 1 15 . 1 1 103 103 GLU H H 103 8.318 8.318 8.529 -0.211 17613 10832 1 15 . 1 1 104 104 VAL N N 104 124.342 124.342 125.774 -1.432 17613 10833 1 15 . 1 1 104 104 VAL HA H 104 5.228 5.228 5.191 0.037 17613 10834 1 15 . 1 1 104 104 VAL C C 104 174.235 174.235 176.242 -2.007 17613 10835 1 15 . 1 1 104 104 VAL CA C 104 59.280 59.280 60.899 -1.619 17613 10836 1 15 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.868 1.299 17613 10837 1 15 . 1 1 104 104 VAL H H 104 8.651 8.651 7.909 0.742 17613 10838 1 15 . 1 1 105 105 ARG N N 105 124.856 124.856 126.491 -1.635 17613 10839 1 15 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.802 0.113 17613 10840 1 15 . 1 1 105 105 ARG C C 105 173.917 173.917 175.027 -1.110 17613 10841 1 15 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.401 -0.936 17613 10842 1 15 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.823 -0.868 17613 10843 1 15 . 1 1 105 105 ARG H H 105 8.705 8.705 8.933 -0.228 17613 10844 1 15 . 1 1 106 106 LYS N N 106 121.499 121.499 122.092 -0.593 17613 10845 1 15 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.614 -0.036 17613 10846 1 15 . 1 1 106 106 LYS C C 106 174.820 174.820 175.804 -0.984 17613 10847 1 15 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.200 -1.332 17613 10848 1 15 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.868 0.431 17613 10849 1 15 . 1 1 106 106 LYS H H 106 8.807 8.807 8.440 0.367 17613 10850 1 15 . 1 1 107 107 VAL N N 107 118.792 118.792 121.329 -2.537 17613 10851 1 15 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.464 0.151 17613 10852 1 15 . 1 1 107 107 VAL C C 107 173.332 173.332 174.333 -1.001 17613 10853 1 15 . 1 1 107 107 VAL CA C 107 60.222 60.222 61.078 -0.856 17613 10854 1 15 . 1 1 107 107 VAL CB C 107 35.234 35.234 36.205 -0.971 17613 10855 1 15 . 1 1 107 107 VAL H H 107 8.555 8.555 8.104 0.451 17613 10856 1 15 . 1 1 108 108 THR N N 108 114.072 114.072 116.036 -1.964 17613 10857 1 15 . 1 1 108 108 THR HA H 108 4.781 4.781 4.591 0.190 17613 10858 1 15 . 1 1 108 108 THR C C 108 174.625 174.625 174.440 0.185 17613 10859 1 15 . 1 1 108 108 THR CA C 108 62.221 62.221 62.154 0.067 17613 10860 1 15 . 1 1 108 108 THR CB C 108 69.975 69.975 69.783 0.192 17613 10861 1 15 . 1 1 108 108 THR H H 108 8.604 8.604 8.420 0.184 17613 10862 1 15 . 1 1 109 109 ASP N N 109 122.574 122.574 122.593 -0.019 17613 10863 1 15 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.743 -0.005 17613 10864 1 15 . 1 1 109 109 ASP C C 109 175.796 175.796 177.243 -1.447 17613 10865 1 15 . 1 1 109 109 ASP CA C 109 53.849 53.849 53.590 0.259 17613 10866 1 15 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.087 1.601 17613 10867 1 15 . 1 1 109 109 ASP H H 109 8.036 8.036 7.854 0.182 17613 10868 1 15 . 1 1 110 110 ASP N N 110 122.852 122.852 124.474 -1.622 17613 10869 1 15 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.252 -0.157 17613 10870 1 15 . 1 1 110 110 ASP C C 110 177.527 177.527 177.851 -0.324 17613 10871 1 15 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.261 0.127 17613 10872 1 15 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.465 -0.164 17613 10873 1 15 . 1 1 110 110 ASP H H 110 8.696 8.696 8.664 0.032 17613 10874 1 15 . 1 1 111 111 GLU N N 111 119.144 119.144 119.024 0.120 17613 10875 1 15 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.060 -0.072 17613 10876 1 15 . 1 1 111 111 GLU C C 111 179.942 179.942 178.936 1.006 17613 10877 1 15 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.473 -0.116 17613 10878 1 15 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.059 -0.563 17613 10879 1 15 . 1 1 111 111 GLU H H 111 8.213 8.213 8.656 -0.443 17613 10880 1 15 . 1 1 112 112 GLU N N 112 121.400 121.400 119.545 1.855 17613 10881 1 15 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.091 -0.094 17613 10882 1 15 . 1 1 112 112 GLU C C 112 178.430 178.430 178.197 0.233 17613 10883 1 15 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.753 -0.004 17613 10884 1 15 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.946 0.248 17613 10885 1 15 . 1 1 112 112 GLU H H 112 8.234 8.234 8.382 -0.148 17613 10886 1 15 . 1 1 113 113 ALA N N 113 120.316 120.316 122.267 -1.951 17613 10887 1 15 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.009 -0.209 17613 10888 1 15 . 1 1 113 113 ALA C C 113 178.430 178.430 179.681 -1.251 17613 10889 1 15 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.398 -0.016 17613 10890 1 15 . 1 1 113 113 ALA CB C 113 18.602 18.602 17.941 0.661 17613 10891 1 15 . 1 1 113 113 ALA H H 113 8.118 8.118 7.850 0.268 17613 10892 1 15 . 1 1 114 114 LEU N N 114 116.901 116.901 117.791 -0.890 17613 10893 1 15 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.839 -0.126 17613 10894 1 15 . 1 1 114 114 LEU C C 114 178.431 178.431 179.094 -0.663 17613 10895 1 15 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.490 0.185 17613 10896 1 15 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.294 -0.358 17613 10897 1 15 . 1 1 114 114 LEU H H 114 7.743 7.743 7.593 0.150 17613 10898 1 15 . 1 1 115 115 LYS N N 115 119.066 119.066 118.696 0.370 17613 10899 1 15 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.981 -0.181 17613 10900 1 15 . 1 1 115 115 LYS C C 115 179.404 179.404 179.136 0.268 17613 10901 1 15 . 1 1 115 115 LYS CA C 115 59.883 59.883 58.381 1.502 17613 10902 1 15 . 1 1 115 115 LYS CB C 115 32.178 32.178 31.672 0.506 17613 10903 1 15 . 1 1 115 115 LYS H H 115 7.617 7.617 7.471 0.146 17613 10904 1 15 . 1 1 116 116 ILE N N 116 120.613 120.613 118.821 1.792 17613 10905 1 15 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.638 -0.178 17613 10906 1 15 . 1 1 116 116 ILE C C 116 177.016 177.016 177.608 -0.592 17613 10907 1 15 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.132 1.990 17613 10908 1 15 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.084 0.239 17613 10909 1 15 . 1 1 116 116 ILE H H 116 8.004 8.004 7.734 0.270 17613 10910 1 15 . 1 1 117 117 VAL N N 117 120.234 120.234 120.791 -0.557 17613 10911 1 15 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.479 -0.219 17613 10912 1 15 . 1 1 117 117 VAL C C 117 177.746 177.746 177.792 -0.046 17613 10913 1 15 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.180 0.325 17613 10914 1 15 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.987 -0.234 17613 10915 1 15 . 1 1 117 117 VAL H H 117 8.121 8.121 7.578 0.543 17613 10916 1 15 . 1 1 118 118 ARG N N 118 118.415 118.415 118.748 -0.333 17613 10917 1 15 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.855 0.038 17613 10918 1 15 . 1 1 118 118 ARG C C 118 178.966 178.966 178.836 0.130 17613 10919 1 15 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.723 0.446 17613 10920 1 15 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.779 -0.077 17613 10921 1 15 . 1 1 118 118 ARG H H 118 8.026 8.026 7.666 0.360 17613 10922 1 15 . 1 1 119 119 GLU N N 119 122.419 122.419 119.979 2.440 17613 10923 1 15 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.046 -0.019 17613 10924 1 15 . 1 1 119 119 GLU C C 119 179.429 179.429 178.928 0.501 17613 10925 1 15 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.087 0.443 17613 10926 1 15 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.089 -0.128 17613 10927 1 15 . 1 1 119 119 GLU H H 119 7.918 7.918 7.707 0.211 17613 10928 1 15 . 1 1 120 120 PHE N N 120 119.597 119.597 119.391 0.206 17613 10929 1 15 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.925 0.097 17613 10930 1 15 . 1 1 120 120 PHE C C 120 177.698 177.698 178.114 -0.416 17613 10931 1 15 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.594 -2.726 17613 10932 1 15 . 1 1 120 120 PHE CB C 120 36.753 36.753 37.901 -1.148 17613 10933 1 15 . 1 1 120 120 PHE H H 120 8.826 8.826 7.906 0.920 17613 10934 1 15 . 1 1 121 121 MET N N 121 116.596 116.596 117.834 -1.238 17613 10935 1 15 . 1 1 121 121 MET HA H 121 3.931 3.931 4.092 -0.161 17613 10936 1 15 . 1 1 121 121 MET C C 121 179.577 179.577 178.822 0.755 17613 10937 1 15 . 1 1 121 121 MET CA C 121 59.785 59.785 58.808 0.977 17613 10938 1 15 . 1 1 121 121 MET CB C 121 33.643 33.643 32.113 1.530 17613 10939 1 15 . 1 1 121 121 MET H H 121 8.317 8.317 8.100 0.217 17613 10940 1 15 . 1 1 122 122 GLN N N 122 120.565 120.565 120.157 0.408 17613 10941 1 15 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.980 0.155 17613 10942 1 15 . 1 1 122 122 GLN C C 122 178.893 178.893 178.260 0.633 17613 10943 1 15 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.210 -0.465 17613 10944 1 15 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.553 -0.533 17613 10945 1 15 . 1 1 122 122 GLN H H 122 8.054 8.054 7.863 0.191 17613 10946 1 15 . 1 1 123 123 LYS N N 123 121.605 121.605 119.571 2.034 17613 10947 1 15 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.046 -0.021 17613 10948 1 15 . 1 1 123 123 LYS C C 123 179.307 179.307 179.078 0.229 17613 10949 1 15 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.460 -0.217 17613 10950 1 15 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.229 0.077 17613 10951 1 15 . 1 1 123 123 LYS H H 123 8.400 8.400 8.098 0.302 17613 10952 1 15 . 1 1 124 124 ALA N N 124 121.873 121.873 120.632 1.241 17613 10953 1 15 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.142 0.002 17613 10954 1 15 . 1 1 124 124 ALA C C 124 179.112 179.112 179.348 -0.236 17613 10955 1 15 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.669 -0.017 17613 10956 1 15 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.397 0.537 17613 10957 1 15 . 1 1 124 124 ALA H H 124 8.601 8.601 7.854 0.747 17613 10958 1 15 . 1 1 125 125 GLY N N 125 104.755 104.755 105.002 -0.247 17613 10959 1 15 . 1 1 125 125 GLY C C 125 175.553 175.553 175.532 0.021 17613 10960 1 15 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.503 -0.212 17613 10961 1 15 . 1 1 125 125 GLY H H 125 7.949 7.949 8.034 -0.085 17613 10962 1 15 . 1 1 126 126 SER N N 126 116.080 116.080 116.162 -0.082 17613 10963 1 15 . 1 1 126 126 SER HA H 126 4.447 4.447 4.455 -0.008 17613 10964 1 15 . 1 1 126 126 SER C C 126 175.504 175.504 176.547 -1.043 17613 10965 1 15 . 1 1 126 126 SER CA C 126 59.965 59.965 61.048 -1.083 17613 10966 1 15 . 1 1 126 126 SER CB C 126 63.460 63.460 63.367 0.093 17613 10967 1 15 . 1 1 126 126 SER H H 126 7.861 7.861 7.511 0.350 17613 10968 1 15 . 1 1 127 127 LEU N N 127 122.372 122.372 121.127 1.245 17613 10969 1 15 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.240 0.042 17613 10970 1 15 . 1 1 127 127 LEU C C 127 177.990 177.990 177.738 0.252 17613 10971 1 15 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.779 -0.562 17613 10972 1 15 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.506 0.567 17613 10973 1 15 . 1 1 127 127 LEU H H 127 7.882 7.882 7.601 0.281 17613 10974 1 15 . 1 1 128 128 GLU N N 128 119.775 119.775 115.384 4.391 17613 10975 1 15 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.256 -0.348 17613 10976 1 15 . 1 1 128 128 GLU CA C 128 57.611 57.611 56.464 1.147 17613 10977 1 15 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.534 0.296 17613 10978 1 15 . 1 1 128 128 GLU H H 128 8.084 8.084 7.592 0.492 17613 10979 1 15 . 1 1 131 131 HIS N N 131 125.272 125.272 121.913 3.359 17613 10980 1 15 . 1 1 131 131 HIS H H 131 8.059 8.059 7.725 0.334 17613 10981 1 16 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.620 0.206 17613 10982 1 16 . 1 1 3 3 ILE C C 3 173.405 173.405 175.520 -2.115 17613 10983 1 16 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.371 -0.815 17613 10984 1 16 . 1 1 3 3 ILE CB C 3 40.508 40.508 38.329 2.179 17613 10985 1 16 . 1 1 3 3 ILE H H 3 8.444 8.444 8.597 -0.153 17613 10986 1 16 . 1 1 4 4 LEU N N 4 127.785 127.785 127.450 0.335 17613 10987 1 16 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.293 0.166 17613 10988 1 16 . 1 1 4 4 LEU C C 4 174.832 174.832 176.430 -1.598 17613 10989 1 16 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.090 0.251 17613 10990 1 16 . 1 1 4 4 LEU CB C 4 45.313 45.313 44.539 0.774 17613 10991 1 16 . 1 1 4 4 LEU H H 4 9.081 9.081 7.859 1.222 17613 10992 1 16 . 1 1 5 5 ILE N N 5 123.010 123.010 121.761 1.249 17613 10993 1 16 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.501 0.332 17613 10994 1 16 . 1 1 5 5 ILE C C 5 173.357 173.357 174.841 -1.484 17613 10995 1 16 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.221 1.323 17613 10996 1 16 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.821 2.711 17613 10997 1 16 . 1 1 5 5 ILE H H 5 8.765 8.765 8.194 0.571 17613 10998 1 16 . 1 1 6 6 LEU N N 6 129.320 129.320 130.403 -1.083 17613 10999 1 16 . 1 1 6 6 LEU HA H 6 5.346 5.346 4.990 0.356 17613 11000 1 16 . 1 1 6 6 LEU C C 6 174.795 174.795 174.828 -0.033 17613 11001 1 16 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.610 -0.610 17613 11002 1 16 . 1 1 6 6 LEU CB C 6 44.528 44.528 42.867 1.661 17613 11003 1 16 . 1 1 6 6 LEU H H 6 9.235 9.235 8.972 0.263 17613 11004 1 16 . 1 1 7 7 ILE N N 7 120.746 120.746 126.541 -5.795 17613 11005 1 16 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.914 0.267 17613 11006 1 16 . 1 1 7 7 ILE C C 7 173.819 173.819 174.027 -0.208 17613 11007 1 16 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.213 -1.998 17613 11008 1 16 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.062 -0.908 17613 11009 1 16 . 1 1 7 7 ILE H H 7 8.931 8.931 9.102 -0.171 17613 11010 1 16 . 1 1 8 8 ASN N N 8 125.539 125.539 126.061 -0.522 17613 11011 1 16 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.764 0.138 17613 11012 1 16 . 1 1 8 8 ASN C C 8 176.478 176.478 173.679 2.799 17613 11013 1 16 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.985 -0.881 17613 11014 1 16 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.509 1.073 17613 11015 1 16 . 1 1 8 8 ASN H H 8 8.634 8.634 8.845 -0.211 17613 11016 1 16 . 1 1 9 9 THR N N 9 118.493 118.493 119.987 -1.494 17613 11017 1 16 . 1 1 9 9 THR HA H 9 4.739 4.739 5.149 -0.410 17613 11018 1 16 . 1 1 9 9 THR C C 9 170.114 170.114 174.171 -4.057 17613 11019 1 16 . 1 1 9 9 THR CA C 9 60.689 60.689 59.101 1.588 17613 11020 1 16 . 1 1 9 9 THR CB C 9 67.766 67.766 70.783 -3.017 17613 11021 1 16 . 1 1 9 9 THR H H 9 8.044 8.044 8.487 -0.443 17613 11022 1 16 . 1 1 10 10 ASN N N 10 123.266 123.266 124.244 -0.978 17613 11023 1 16 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.611 0.356 17613 11024 1 16 . 1 1 10 10 ASN C C 10 174.601 174.601 175.400 -0.799 17613 11025 1 16 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.230 -2.386 17613 11026 1 16 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.189 0.127 17613 11027 1 16 . 1 1 10 10 ASN H H 10 8.440 8.440 8.385 0.055 17613 11028 1 16 . 1 1 11 11 ASN N N 11 120.920 120.920 119.970 0.950 17613 11029 1 16 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.687 0.006 17613 11030 1 16 . 1 1 11 11 ASN C C 11 174.333 174.333 175.219 -0.886 17613 11031 1 16 . 1 1 11 11 ASN CA C 11 52.436 52.436 53.117 -0.681 17613 11032 1 16 . 1 1 11 11 ASN CB C 11 38.349 38.349 38.307 0.042 17613 11033 1 16 . 1 1 11 11 ASN H H 11 8.366 8.366 7.715 0.651 17613 11034 1 16 . 1 1 12 12 ASP N N 12 126.315 126.315 125.462 0.853 17613 11035 1 16 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.260 0.013 17613 11036 1 16 . 1 1 12 12 ASP C C 12 178.089 178.089 177.986 0.103 17613 11037 1 16 . 1 1 12 12 ASP CA C 12 57.608 57.608 58.124 -0.516 17613 11038 1 16 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.685 0.476 17613 11039 1 16 . 1 1 12 12 ASP H H 12 8.586 8.586 8.925 -0.339 17613 11040 1 16 . 1 1 13 13 GLU N N 13 119.325 119.325 119.865 -0.540 17613 11041 1 16 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.086 -0.060 17613 11042 1 16 . 1 1 13 13 GLU C C 13 178.893 178.893 178.737 0.156 17613 11043 1 16 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.084 -0.078 17613 11044 1 16 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.419 -0.710 17613 11045 1 16 . 1 1 13 13 GLU H H 13 8.289 8.289 8.627 -0.338 17613 11046 1 16 . 1 1 14 14 LEU N N 14 121.683 121.683 118.928 2.755 17613 11047 1 16 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.100 -0.115 17613 11048 1 16 . 1 1 14 14 LEU C C 14 178.309 178.309 179.105 -0.796 17613 11049 1 16 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.193 0.068 17613 11050 1 16 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.959 -0.854 17613 11051 1 16 . 1 1 14 14 LEU H H 14 7.577 7.577 7.418 0.159 17613 11052 1 16 . 1 1 15 15 ILE N N 15 119.483 119.483 119.621 -0.138 17613 11053 1 16 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.488 -0.269 17613 11054 1 16 . 1 1 15 15 ILE C C 15 177.138 177.138 177.805 -0.667 17613 11055 1 16 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.949 0.641 17613 11056 1 16 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.377 0.047 17613 11057 1 16 . 1 1 15 15 ILE H H 15 8.238 8.238 7.553 0.685 17613 11058 1 16 . 1 1 16 16 LYS N N 16 117.596 117.596 118.527 -0.931 17613 11059 1 16 . 1 1 16 16 LYS HA H 16 3.843 3.843 3.991 -0.148 17613 11060 1 16 . 1 1 16 16 LYS C C 16 179.577 179.577 179.135 0.442 17613 11061 1 16 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.323 0.846 17613 11062 1 16 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.957 0.207 17613 11063 1 16 . 1 1 16 16 LYS H H 16 7.604 7.604 7.533 0.071 17613 11064 1 16 . 1 1 17 17 LYS N N 17 118.832 118.832 119.831 -0.999 17613 11065 1 16 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.083 -0.091 17613 11066 1 16 . 1 1 17 17 LYS C C 17 179.380 179.380 179.006 0.374 17613 11067 1 16 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.515 0.325 17613 11068 1 16 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.512 0.553 17613 11069 1 16 . 1 1 17 17 LYS H H 17 7.583 7.583 7.706 -0.123 17613 11070 1 16 . 1 1 18 18 ILE N N 18 120.961 120.961 120.207 0.754 17613 11071 1 16 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.632 -0.260 17613 11072 1 16 . 1 1 18 18 ILE C C 18 176.967 176.967 177.730 -0.763 17613 11073 1 16 . 1 1 18 18 ILE CA C 18 65.474 65.474 64.976 0.498 17613 11074 1 16 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.643 -0.087 17613 11075 1 16 . 1 1 18 18 ILE H H 18 8.785 8.785 7.882 0.903 17613 11076 1 16 . 1 1 19 19 LYS N N 19 118.324 118.324 119.415 -1.091 17613 11077 1 16 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.884 -0.204 17613 11078 1 16 . 1 1 19 19 LYS C C 19 177.746 177.746 178.962 -1.216 17613 11079 1 16 . 1 1 19 19 LYS CA C 19 60.853 60.853 60.230 0.623 17613 11080 1 16 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.114 0.212 17613 11081 1 16 . 1 1 19 19 LYS H H 19 8.532 8.532 8.101 0.431 17613 11082 1 16 . 1 1 20 20 LYS N N 20 116.284 116.284 118.171 -1.887 17613 11083 1 16 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.208 -0.121 17613 11084 1 16 . 1 1 20 20 LYS C C 20 178.406 178.406 179.176 -0.770 17613 11085 1 16 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.362 0.177 17613 11086 1 16 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.920 0.061 17613 11087 1 16 . 1 1 20 20 LYS H H 20 7.303 7.303 7.544 -0.241 17613 11088 1 16 . 1 1 21 21 GLU N N 21 118.488 118.488 118.892 -0.404 17613 11089 1 16 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.033 -0.070 17613 11090 1 16 . 1 1 21 21 GLU C C 21 179.088 179.088 179.257 -0.169 17613 11091 1 16 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.415 -0.521 17613 11092 1 16 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.547 -0.113 17613 11093 1 16 . 1 1 21 21 GLU H H 21 7.665 7.665 7.862 -0.197 17613 11094 1 16 . 1 1 22 22 VAL N N 22 109.032 109.032 114.249 -5.217 17613 11095 1 16 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.155 -0.023 17613 11096 1 16 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.515 -1.716 17613 11097 1 16 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.860 -2.030 17613 11098 1 16 . 1 1 22 22 VAL H H 22 8.037 8.037 7.890 0.147 17613 11099 1 16 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.602 0.115 17613 11100 1 16 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.479 3.329 17613 11101 1 16 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.250 -0.079 17613 11102 1 16 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.597 0.049 17613 11103 1 16 . 1 1 25 25 GLN C C 25 175.692 175.692 176.771 -1.079 17613 11104 1 16 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.147 -0.129 17613 11105 1 16 . 1 1 26 26 GLY N N 26 106.368 106.368 105.898 0.470 17613 11106 1 16 . 1 1 26 26 GLY C C 26 174.382 174.382 174.663 -0.281 17613 11107 1 16 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.376 0.581 17613 11108 1 16 . 1 1 26 26 GLY H H 26 8.020 8.020 7.592 0.428 17613 11109 1 16 . 1 1 27 27 TYR N N 27 119.082 119.082 120.326 -1.244 17613 11110 1 16 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.568 -0.135 17613 11111 1 16 . 1 1 27 27 TYR C C 27 174.528 174.528 175.195 -0.667 17613 11112 1 16 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.129 0.925 17613 11113 1 16 . 1 1 27 27 TYR CB C 27 39.005 39.005 37.587 1.418 17613 11114 1 16 . 1 1 27 27 TYR H H 27 7.845 7.845 8.372 -0.527 17613 11115 1 16 . 1 1 28 28 GLN N N 28 120.362 120.362 123.808 -3.446 17613 11116 1 16 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.279 0.220 17613 11117 1 16 . 1 1 28 28 GLN C C 28 174.625 174.625 175.953 -1.328 17613 11118 1 16 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.938 -1.558 17613 11119 1 16 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.850 1.605 17613 11120 1 16 . 1 1 28 28 GLN H H 28 8.338 8.338 8.259 0.079 17613 11121 1 16 . 1 1 29 29 VAL N N 29 123.482 123.482 123.964 -0.482 17613 11122 1 16 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.023 1.020 17613 11123 1 16 . 1 1 29 29 VAL C C 29 175.820 175.820 176.531 -0.711 17613 11124 1 16 . 1 1 29 29 VAL CA C 29 61.488 61.488 63.306 -1.818 17613 11125 1 16 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.123 0.350 17613 11126 1 16 . 1 1 29 29 VAL H H 29 8.776 8.776 8.393 0.383 17613 11127 1 16 . 1 1 30 30 ARG N N 30 127.787 127.787 127.895 -0.108 17613 11128 1 16 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.697 0.043 17613 11129 1 16 . 1 1 30 30 ARG C C 30 173.332 173.332 174.471 -1.139 17613 11130 1 16 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.197 0.591 17613 11131 1 16 . 1 1 30 30 ARG CB C 30 32.391 32.391 32.736 -0.345 17613 11132 1 16 . 1 1 30 30 ARG H H 30 9.135 9.135 9.140 -0.005 17613 11133 1 16 . 1 1 31 31 ASP N N 31 121.895 121.895 122.015 -0.120 17613 11134 1 16 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.504 -0.294 17613 11135 1 16 . 1 1 31 31 ASP C C 31 175.282 175.282 174.733 0.549 17613 11136 1 16 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.512 0.858 17613 11137 1 16 . 1 1 31 31 ASP CB C 31 42.722 42.722 43.334 -0.612 17613 11138 1 16 . 1 1 31 31 ASP H H 31 8.377 8.377 8.382 -0.005 17613 11139 1 16 . 1 1 32 32 VAL N N 32 120.426 120.426 120.465 -0.039 17613 11140 1 16 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.250 -0.002 17613 11141 1 16 . 1 1 32 32 VAL C C 32 174.114 174.114 174.468 -0.354 17613 11142 1 16 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.323 0.234 17613 11143 1 16 . 1 1 32 32 VAL CB C 32 33.884 33.884 34.067 -0.183 17613 11144 1 16 . 1 1 32 32 VAL H H 32 8.441 8.441 8.681 -0.240 17613 11145 1 16 . 1 1 33 33 ASN N N 33 122.700 122.700 123.348 -0.648 17613 11146 1 16 . 1 1 33 33 ASN HA H 33 4.977 4.977 5.129 -0.152 17613 11147 1 16 . 1 1 33 33 ASN C C 33 174.235 174.235 174.251 -0.016 17613 11148 1 16 . 1 1 33 33 ASN CA C 33 53.396 53.396 52.837 0.559 17613 11149 1 16 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.734 0.134 17613 11150 1 16 . 1 1 33 33 ASN H H 33 9.550 9.550 8.678 0.872 17613 11151 1 16 . 1 1 34 34 ASP N N 34 114.885 114.885 119.131 -4.246 17613 11152 1 16 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.824 -0.121 17613 11153 1 16 . 1 1 34 34 ASP C C 34 175.626 175.626 176.216 -0.590 17613 11154 1 16 . 1 1 34 34 ASP CA C 34 53.483 53.483 53.135 0.348 17613 11155 1 16 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.801 -1.405 17613 11156 1 16 . 1 1 34 34 ASP H H 34 7.616 7.616 7.580 0.036 17613 11157 1 16 . 1 1 35 35 SER N N 35 114.381 114.381 120.033 -5.652 17613 11158 1 16 . 1 1 35 35 SER HA H 35 4.046 4.046 4.078 -0.032 17613 11159 1 16 . 1 1 35 35 SER C C 35 175.991 175.991 176.123 -0.132 17613 11160 1 16 . 1 1 35 35 SER CA C 35 61.446 61.446 62.040 -0.594 17613 11161 1 16 . 1 1 35 35 SER CB C 35 62.764 62.764 63.398 -0.634 17613 11162 1 16 . 1 1 35 35 SER H H 35 8.869 8.869 8.875 -0.006 17613 11163 1 16 . 1 1 36 36 ASP N N 36 124.695 124.695 121.707 2.988 17613 11164 1 16 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.381 0.138 17613 11165 1 16 . 1 1 36 36 ASP C C 36 179.136 179.136 178.310 0.826 17613 11166 1 16 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.774 -0.106 17613 11167 1 16 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.539 -0.255 17613 11168 1 16 . 1 1 36 36 ASP H H 36 8.388 8.388 8.101 0.287 17613 11169 1 16 . 1 1 37 37 GLU N N 37 122.449 122.449 120.174 2.275 17613 11170 1 16 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.002 0.057 17613 11171 1 16 . 1 1 37 37 GLU C C 37 178.698 178.698 179.025 -0.327 17613 11172 1 16 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.885 0.324 17613 11173 1 16 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.572 0.149 17613 11174 1 16 . 1 1 37 37 GLU H H 37 9.009 9.009 7.782 1.227 17613 11175 1 16 . 1 1 38 38 LEU N N 38 119.580 119.580 121.793 -2.213 17613 11176 1 16 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.966 -0.055 17613 11177 1 16 . 1 1 38 38 LEU C C 38 177.649 177.649 178.324 -0.675 17613 11178 1 16 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.611 0.522 17613 11179 1 16 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.050 -0.981 17613 11180 1 16 . 1 1 38 38 LEU H H 38 8.203 8.203 7.788 0.415 17613 11181 1 16 . 1 1 39 39 LYS N N 39 118.404 118.404 118.441 -0.037 17613 11182 1 16 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.985 -0.144 17613 11183 1 16 . 1 1 39 39 LYS C C 39 179.577 179.577 179.297 0.280 17613 11184 1 16 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.661 0.205 17613 11185 1 16 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.229 -0.181 17613 11186 1 16 . 1 1 39 39 LYS H H 39 7.829 7.829 7.746 0.083 17613 11187 1 16 . 1 1 40 40 LYS N N 40 119.271 119.271 118.758 0.513 17613 11188 1 16 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.028 -0.006 17613 11189 1 16 . 1 1 40 40 LYS C C 40 179.577 179.577 179.031 0.546 17613 11190 1 16 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.756 0.834 17613 11191 1 16 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.814 0.586 17613 11192 1 16 . 1 1 40 40 LYS H H 40 7.779 7.779 8.119 -0.340 17613 11193 1 16 . 1 1 41 41 GLU N N 41 119.647 119.647 120.424 -0.777 17613 11194 1 16 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.126 0.137 17613 11195 1 16 . 1 1 41 41 GLU C C 41 179.504 179.504 179.175 0.329 17613 11196 1 16 . 1 1 41 41 GLU CA C 41 58.074 58.074 59.028 -0.954 17613 11197 1 16 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.223 -0.977 17613 11198 1 16 . 1 1 41 41 GLU H H 41 8.721 8.721 8.135 0.586 17613 11199 1 16 . 1 1 42 42 MET N N 42 118.114 118.114 117.670 0.444 17613 11200 1 16 . 1 1 42 42 MET HA H 42 4.383 4.383 4.384 -0.001 17613 11201 1 16 . 1 1 42 42 MET C C 42 179.185 179.185 178.857 0.328 17613 11202 1 16 . 1 1 42 42 MET CA C 42 57.054 57.054 56.838 0.216 17613 11203 1 16 . 1 1 42 42 MET CB C 42 31.254 31.254 31.861 -0.608 17613 11204 1 16 . 1 1 42 42 MET H H 42 8.779 8.779 8.063 0.716 17613 11205 1 16 . 1 1 43 43 LYS N N 43 120.740 120.740 120.669 0.071 17613 11206 1 16 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.054 0.034 17613 11207 1 16 . 1 1 43 43 LYS C C 43 178.187 178.187 179.149 -0.962 17613 11208 1 16 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.070 0.320 17613 11209 1 16 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.879 0.083 17613 11210 1 16 . 1 1 43 43 LYS H H 43 7.499 7.499 7.993 -0.494 17613 11211 1 16 . 1 1 44 44 LYS N N 44 118.269 118.269 119.234 -0.965 17613 11212 1 16 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.335 -0.274 17613 11213 1 16 . 1 1 44 44 LYS C C 44 179.601 179.601 179.401 0.200 17613 11214 1 16 . 1 1 44 44 LYS CA C 44 59.500 59.500 57.895 1.605 17613 11215 1 16 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.044 0.026 17613 11216 1 16 . 1 1 44 44 LYS H H 44 7.445 7.445 7.571 -0.126 17613 11217 1 16 . 1 1 45 45 LEU N N 45 117.785 117.785 119.189 -1.404 17613 11218 1 16 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.150 -0.002 17613 11219 1 16 . 1 1 45 45 LEU C C 45 178.357 178.357 179.190 -0.833 17613 11220 1 16 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.283 -0.096 17613 11221 1 16 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.949 -0.176 17613 11222 1 16 . 1 1 45 45 LEU H H 45 8.161 8.161 8.199 -0.038 17613 11223 1 16 . 1 1 46 46 ALA N N 46 118.538 118.538 120.417 -1.879 17613 11224 1 16 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.155 0.097 17613 11225 1 16 . 1 1 46 46 ALA C C 46 178.893 178.893 178.721 0.172 17613 11226 1 16 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.286 -0.614 17613 11227 1 16 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.881 0.001 17613 11228 1 16 . 1 1 46 46 ALA H H 46 7.637 7.637 7.535 0.102 17613 11229 1 16 . 1 1 47 47 GLU N N 47 115.492 115.492 117.607 -2.115 17613 11230 1 16 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.200 0.050 17613 11231 1 16 . 1 1 47 47 GLU C C 47 176.478 176.478 177.149 -0.671 17613 11232 1 16 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.472 -0.541 17613 11233 1 16 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.024 0.393 17613 11234 1 16 . 1 1 47 47 GLU H H 47 7.713 7.713 7.782 -0.069 17613 11235 1 16 . 1 1 48 48 GLU N N 48 120.573 120.573 120.300 0.273 17613 11236 1 16 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.219 0.154 17613 11237 1 16 . 1 1 48 48 GLU C C 48 173.624 173.624 176.599 -2.975 17613 11238 1 16 . 1 1 48 48 GLU CA C 48 56.021 56.021 56.433 -0.412 17613 11239 1 16 . 1 1 48 48 GLU CB C 48 29.910 29.910 29.559 0.351 17613 11240 1 16 . 1 1 48 48 GLU H H 48 7.748 7.748 7.569 0.179 17613 11241 1 16 . 1 1 49 49 LYS N N 49 124.420 124.420 126.009 -1.589 17613 11242 1 16 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.468 -0.150 17613 11243 1 16 . 1 1 49 49 LYS C C 49 176.843 176.843 175.643 1.200 17613 11244 1 16 . 1 1 49 49 LYS CA C 49 56.517 56.517 55.861 0.656 17613 11245 1 16 . 1 1 49 49 LYS CB C 49 32.462 32.462 30.988 1.474 17613 11246 1 16 . 1 1 49 49 LYS H H 49 8.607 8.607 8.513 0.094 17613 11247 1 16 . 1 1 50 50 ASN N N 50 117.993 117.993 119.005 -1.012 17613 11248 1 16 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.769 -0.145 17613 11249 1 16 . 1 1 50 50 ASN C C 50 176.454 176.454 173.535 2.919 17613 11250 1 16 . 1 1 50 50 ASN CA C 50 53.555 53.555 52.193 1.362 17613 11251 1 16 . 1 1 50 50 ASN CB C 50 39.036 39.036 40.423 -1.387 17613 11252 1 16 . 1 1 50 50 ASN H H 50 8.723 8.723 7.672 1.051 17613 11253 1 16 . 1 1 51 51 PHE N N 51 120.700 120.700 116.526 4.174 17613 11254 1 16 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.646 0.113 17613 11255 1 16 . 1 1 51 51 PHE CA C 51 57.935 57.935 55.818 2.117 17613 11256 1 16 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.050 0.924 17613 11257 1 16 . 1 1 51 51 PHE H H 51 8.341 8.341 8.095 0.246 17613 11258 1 16 . 1 1 52 52 GLU HA H 52 4.258 4.258 3.983 0.275 17613 11259 1 16 . 1 1 52 52 GLU C C 52 173.600 173.600 175.685 -2.085 17613 11260 1 16 . 1 1 52 52 GLU CA C 52 56.254 56.254 56.576 -0.322 17613 11261 1 16 . 1 1 52 52 GLU CB C 52 33.459 33.459 30.514 2.945 17613 11262 1 16 . 1 1 53 53 LYS N N 53 119.964 119.964 125.497 -5.533 17613 11263 1 16 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.244 0.445 17613 11264 1 16 . 1 1 53 53 LYS C C 53 174.430 174.430 175.459 -1.029 17613 11265 1 16 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.553 -0.197 17613 11266 1 16 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.706 -0.261 17613 11267 1 16 . 1 1 53 53 LYS H H 53 7.962 7.962 8.458 -0.496 17613 11268 1 16 . 1 1 54 54 ILE N N 54 124.730 124.730 125.329 -0.599 17613 11269 1 16 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.939 -0.093 17613 11270 1 16 . 1 1 54 54 ILE C C 54 173.089 173.089 174.610 -1.521 17613 11271 1 16 . 1 1 54 54 ILE CA C 54 59.264 59.264 59.041 0.223 17613 11272 1 16 . 1 1 54 54 ILE CB C 54 41.953 41.953 39.600 2.353 17613 11273 1 16 . 1 1 54 54 ILE H H 54 8.804 8.804 7.911 0.893 17613 11274 1 16 . 1 1 55 55 LEU N N 55 130.086 130.086 129.500 0.586 17613 11275 1 16 . 1 1 55 55 LEU HA H 55 5.641 5.641 4.934 0.707 17613 11276 1 16 . 1 1 55 55 LEU C C 55 174.430 174.430 175.039 -0.609 17613 11277 1 16 . 1 1 55 55 LEU CA C 55 53.502 53.502 54.043 -0.541 17613 11278 1 16 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.317 0.885 17613 11279 1 16 . 1 1 55 55 LEU H H 55 9.103 9.103 8.345 0.758 17613 11280 1 16 . 1 1 56 56 ILE N N 56 125.983 125.983 127.270 -1.287 17613 11281 1 16 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.891 0.166 17613 11282 1 16 . 1 1 56 56 ILE C C 56 174.089 174.089 175.456 -1.367 17613 11283 1 16 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.853 0.257 17613 11284 1 16 . 1 1 56 56 ILE CB C 56 39.823 39.823 37.717 2.106 17613 11285 1 16 . 1 1 56 56 ILE H H 56 9.182 9.182 8.545 0.637 17613 11286 1 16 . 1 1 57 57 ILE N N 57 127.241 127.241 129.329 -2.088 17613 11287 1 16 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.952 -0.040 17613 11288 1 16 . 1 1 57 57 ILE C C 57 174.869 174.869 175.212 -0.343 17613 11289 1 16 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.659 -1.404 17613 11290 1 16 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.457 -0.506 17613 11291 1 16 . 1 1 57 57 ILE H H 57 8.541 8.541 8.811 -0.270 17613 11292 1 16 . 1 1 58 58 SER N N 58 119.270 119.270 120.629 -1.359 17613 11293 1 16 . 1 1 58 58 SER HA H 58 5.007 5.007 5.238 -0.231 17613 11294 1 16 . 1 1 58 58 SER C C 58 174.211 174.211 173.728 0.483 17613 11295 1 16 . 1 1 58 58 SER CA C 58 56.727 56.727 56.818 -0.091 17613 11296 1 16 . 1 1 58 58 SER CB C 58 66.615 66.615 65.813 0.802 17613 11297 1 16 . 1 1 58 58 SER H H 58 8.810 8.810 8.458 0.352 17613 11298 1 16 . 1 1 59 59 ASN N N 59 122.382 122.382 125.224 -2.842 17613 11299 1 16 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.104 -0.393 17613 11300 1 16 . 1 1 59 59 ASN C C 59 174.795 174.795 174.480 0.315 17613 11301 1 16 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.358 -0.851 17613 11302 1 16 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.495 -0.532 17613 11303 1 16 . 1 1 59 59 ASN H H 59 8.794 8.794 8.842 -0.048 17613 11304 1 16 . 1 1 60 60 ASP N N 60 119.744 119.744 121.360 -1.616 17613 11305 1 16 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.835 0.028 17613 11306 1 16 . 1 1 60 60 ASP C C 60 176.015 176.015 175.616 0.399 17613 11307 1 16 . 1 1 60 60 ASP CA C 60 53.097 53.097 53.727 -0.630 17613 11308 1 16 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.149 0.800 17613 11309 1 16 . 1 1 60 60 ASP H H 60 7.857 7.857 7.441 0.416 17613 11310 1 16 . 1 1 61 61 LYS N N 61 125.818 125.818 124.277 1.541 17613 11311 1 16 . 1 1 61 61 LYS HA H 61 3.722 3.722 3.975 -0.253 17613 11312 1 16 . 1 1 61 61 LYS C C 61 177.673 177.673 178.550 -0.877 17613 11313 1 16 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.389 0.243 17613 11314 1 16 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.148 -0.630 17613 11315 1 16 . 1 1 61 61 LYS H H 61 8.904 8.904 8.685 0.219 17613 11316 1 16 . 1 1 62 62 GLN N N 62 118.918 118.918 120.084 -1.166 17613 11317 1 16 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.148 -0.043 17613 11318 1 16 . 1 1 62 62 GLN C C 62 178.747 178.747 177.422 1.325 17613 11319 1 16 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.563 -0.262 17613 11320 1 16 . 1 1 62 62 GLN CB C 62 27.448 27.448 27.590 -0.142 17613 11321 1 16 . 1 1 62 62 GLN H H 62 8.434 8.434 8.229 0.205 17613 11322 1 16 . 1 1 63 63 LEU N N 63 120.071 120.071 119.802 0.269 17613 11323 1 16 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.105 0.029 17613 11324 1 16 . 1 1 63 63 LEU C C 63 178.552 178.552 179.163 -0.611 17613 11325 1 16 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.388 -0.745 17613 11326 1 16 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.443 -0.549 17613 11327 1 16 . 1 1 63 63 LEU H H 63 7.671 7.671 7.846 -0.175 17613 11328 1 16 . 1 1 64 64 LEU N N 64 117.705 117.705 120.459 -2.754 17613 11329 1 16 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.911 -0.004 17613 11330 1 16 . 1 1 64 64 LEU C C 64 172.526 172.526 178.331 -5.805 17613 11331 1 16 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.579 -0.801 17613 11332 1 16 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.914 -0.564 17613 11333 1 16 . 1 1 64 64 LEU H H 64 7.626 7.626 8.124 -0.498 17613 11334 1 16 . 1 1 65 65 LYS N N 65 118.311 118.311 119.028 -0.717 17613 11335 1 16 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.885 -0.091 17613 11336 1 16 . 1 1 65 65 LYS C C 65 178.479 178.479 179.048 -0.569 17613 11337 1 16 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.171 0.055 17613 11338 1 16 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.103 0.163 17613 11339 1 16 . 1 1 65 65 LYS H H 65 8.038 8.038 7.851 0.187 17613 11340 1 16 . 1 1 66 66 GLU N N 66 119.362 119.362 119.139 0.223 17613 11341 1 16 . 1 1 66 66 GLU HA H 66 4.026 4.026 3.992 0.034 17613 11342 1 16 . 1 1 66 66 GLU C C 66 178.893 178.893 179.008 -0.115 17613 11343 1 16 . 1 1 66 66 GLU CA C 66 59.119 59.119 59.228 -0.109 17613 11344 1 16 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.431 -0.169 17613 11345 1 16 . 1 1 66 66 GLU H H 66 7.803 7.803 7.793 0.010 17613 11346 1 16 . 1 1 67 67 MET N N 67 118.398 118.398 119.695 -1.297 17613 11347 1 16 . 1 1 67 67 MET HA H 67 3.948 3.948 4.158 -0.210 17613 11348 1 16 . 1 1 67 67 MET C C 67 177.527 177.527 178.404 -0.877 17613 11349 1 16 . 1 1 67 67 MET CA C 67 59.963 59.963 58.083 1.880 17613 11350 1 16 . 1 1 67 67 MET CB C 67 33.443 33.443 32.373 1.070 17613 11351 1 16 . 1 1 67 67 MET H H 67 8.394 8.394 8.058 0.336 17613 11352 1 16 . 1 1 68 68 LEU N N 68 118.269 118.269 119.258 -0.989 17613 11353 1 16 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.942 -0.163 17613 11354 1 16 . 1 1 68 68 LEU C C 68 178.869 178.869 179.285 -0.416 17613 11355 1 16 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.727 0.214 17613 11356 1 16 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.069 -0.194 17613 11357 1 16 . 1 1 68 68 LEU H H 68 8.471 8.471 8.257 0.214 17613 11358 1 16 . 1 1 69 69 GLU N N 69 118.681 118.681 119.546 -0.865 17613 11359 1 16 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.020 0.035 17613 11360 1 16 . 1 1 69 69 GLU C C 69 179.063 179.063 179.529 -0.466 17613 11361 1 16 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.373 0.051 17613 11362 1 16 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.262 -0.122 17613 11363 1 16 . 1 1 69 69 GLU H H 69 7.627 7.627 7.824 -0.197 17613 11364 1 16 . 1 1 70 70 LEU N N 70 119.503 119.503 119.976 -0.473 17613 11365 1 16 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.021 0.140 17613 11366 1 16 . 1 1 70 70 LEU C C 70 179.699 179.699 179.038 0.661 17613 11367 1 16 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.654 0.120 17613 11368 1 16 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.818 0.126 17613 11369 1 16 . 1 1 70 70 LEU H H 70 7.717 7.717 7.727 -0.010 17613 11370 1 16 . 1 1 71 71 ILE N N 71 116.791 116.791 120.074 -3.283 17613 11371 1 16 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.503 0.234 17613 11372 1 16 . 1 1 71 71 ILE C C 71 178.357 178.357 178.340 0.017 17613 11373 1 16 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.776 -1.534 17613 11374 1 16 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.857 0.044 17613 11375 1 16 . 1 1 71 71 ILE H H 71 8.598 8.598 8.370 0.228 17613 11376 1 16 . 1 1 72 72 SER N N 72 116.517 116.517 114.877 1.640 17613 11377 1 16 . 1 1 72 72 SER HA H 72 4.365 4.365 4.118 0.247 17613 11378 1 16 . 1 1 72 72 SER C C 72 176.845 176.845 176.468 0.377 17613 11379 1 16 . 1 1 72 72 SER CA C 72 61.365 61.365 61.822 -0.456 17613 11380 1 16 . 1 1 72 72 SER CB C 72 62.780 62.780 63.137 -0.357 17613 11381 1 16 . 1 1 72 72 SER H H 72 8.023 8.023 8.152 -0.129 17613 11382 1 16 . 1 1 73 73 LYS N N 73 120.731 120.731 120.687 0.044 17613 11383 1 16 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.067 0.224 17613 11384 1 16 . 1 1 73 73 LYS C C 73 177.771 177.771 178.340 -0.569 17613 11385 1 16 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.571 -1.095 17613 11386 1 16 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.627 -0.481 17613 11387 1 16 . 1 1 73 73 LYS H H 73 7.723 7.723 7.393 0.330 17613 11388 1 16 . 1 1 74 74 LEU N N 74 117.572 117.572 116.970 0.602 17613 11389 1 16 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.072 0.155 17613 11390 1 16 . 1 1 74 74 LEU C C 74 177.332 177.332 177.396 -0.064 17613 11391 1 16 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.080 0.119 17613 11392 1 16 . 1 1 74 74 LEU CB C 74 41.486 41.486 41.811 -0.325 17613 11393 1 16 . 1 1 74 74 LEU H H 74 7.609 7.609 7.755 -0.146 17613 11394 1 16 . 1 1 75 75 GLY N N 75 105.991 105.991 106.072 -0.081 17613 11395 1 16 . 1 1 75 75 GLY C C 75 174.771 174.771 174.765 0.006 17613 11396 1 16 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.517 0.325 17613 11397 1 16 . 1 1 75 75 GLY H H 75 7.925 7.925 7.481 0.444 17613 11398 1 16 . 1 1 76 76 TYR N N 76 118.452 118.452 118.306 0.146 17613 11399 1 16 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.404 0.374 17613 11400 1 16 . 1 1 76 76 TYR C C 76 175.234 175.234 176.201 -0.967 17613 11401 1 16 . 1 1 76 76 TYR CA C 76 55.504 55.504 55.925 -0.421 17613 11402 1 16 . 1 1 76 76 TYR CB C 76 37.962 37.962 39.094 -1.132 17613 11403 1 16 . 1 1 76 76 TYR H H 76 7.366 7.366 7.713 -0.347 17613 11404 1 16 . 1 1 77 77 LYS N N 77 122.866 122.866 124.910 -2.044 17613 11405 1 16 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.224 0.324 17613 11406 1 16 . 1 1 77 77 LYS C C 77 174.138 174.138 174.618 -0.480 17613 11407 1 16 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.151 -0.081 17613 11408 1 16 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.790 0.427 17613 11409 1 16 . 1 1 77 77 LYS H H 77 8.290 8.290 8.354 -0.064 17613 11410 1 16 . 1 1 78 78 VAL N N 78 124.071 124.071 125.724 -1.653 17613 11411 1 16 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.735 0.431 17613 11412 1 16 . 1 1 78 78 VAL C C 78 174.162 174.162 174.924 -0.762 17613 11413 1 16 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.072 -0.843 17613 11414 1 16 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.977 0.378 17613 11415 1 16 . 1 1 78 78 VAL H H 78 7.830 7.830 7.648 0.182 17613 11416 1 16 . 1 1 79 79 PHE N N 79 126.174 126.174 125.294 0.880 17613 11417 1 16 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.463 0.104 17613 11418 1 16 . 1 1 79 79 PHE C C 79 173.357 173.357 173.955 -0.598 17613 11419 1 16 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.686 -0.733 17613 11420 1 16 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.666 -0.482 17613 11421 1 16 . 1 1 79 79 PHE H H 79 8.374 8.374 8.154 0.220 17613 11422 1 16 . 1 1 80 80 LEU N N 80 123.959 123.959 122.190 1.769 17613 11423 1 16 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.644 -0.098 17613 11424 1 16 . 1 1 80 80 LEU C C 80 173.503 173.503 174.744 -1.241 17613 11425 1 16 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.639 0.359 17613 11426 1 16 . 1 1 80 80 LEU CB C 80 45.667 45.667 46.590 -0.923 17613 11427 1 16 . 1 1 80 80 LEU H H 80 8.601 8.601 8.745 -0.144 17613 11428 1 16 . 1 1 81 81 LEU N N 81 126.694 126.694 128.552 -1.858 17613 11429 1 16 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.466 -0.197 17613 11430 1 16 . 1 1 81 81 LEU C C 81 173.649 173.649 174.396 -0.747 17613 11431 1 16 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.413 -0.349 17613 11432 1 16 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.258 0.519 17613 11433 1 16 . 1 1 81 81 LEU H H 81 9.063 9.063 9.129 -0.066 17613 11434 1 16 . 1 1 82 82 LEU N N 82 124.888 124.888 127.677 -2.789 17613 11435 1 16 . 1 1 82 82 LEU HA H 82 4.911 4.911 5.224 -0.313 17613 11436 1 16 . 1 1 82 82 LEU C C 82 174.479 174.479 175.539 -1.060 17613 11437 1 16 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.734 -0.599 17613 11438 1 16 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.871 0.351 17613 11439 1 16 . 1 1 82 82 LEU H H 82 8.864 8.864 9.088 -0.224 17613 11440 1 16 . 1 1 83 83 GLN N N 83 122.153 122.153 123.659 -1.506 17613 11441 1 16 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.181 0.079 17613 11442 1 16 . 1 1 83 83 GLN C C 83 174.333 174.333 173.720 0.613 17613 11443 1 16 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.824 -0.238 17613 11444 1 16 . 1 1 83 83 GLN CB C 83 29.870 29.870 32.461 -2.591 17613 11445 1 16 . 1 1 83 83 GLN H H 83 8.437 8.437 8.967 -0.530 17613 11446 1 16 . 1 1 84 84 ASP N N 84 124.451 124.451 126.595 -2.144 17613 11447 1 16 . 1 1 84 84 ASP HA H 84 4.502 4.502 5.079 -0.577 17613 11448 1 16 . 1 1 84 84 ASP C C 84 174.308 174.308 176.449 -2.141 17613 11449 1 16 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.142 0.873 17613 11450 1 16 . 1 1 84 84 ASP CB C 84 43.771 43.771 45.242 -1.471 17613 11451 1 16 . 1 1 84 84 ASP H H 84 8.205 8.205 7.957 0.248 17613 11452 1 16 . 1 1 85 85 GLN N N 85 120.202 120.202 120.025 0.177 17613 11453 1 16 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.129 0.205 17613 11454 1 16 . 1 1 85 85 GLN C C 85 175.431 175.431 175.492 -0.061 17613 11455 1 16 . 1 1 85 85 GLN CA C 85 56.595 56.595 58.568 -1.972 17613 11456 1 16 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.053 0.281 17613 11457 1 16 . 1 1 85 85 GLN H H 85 8.617 8.617 8.751 -0.134 17613 11458 1 16 . 1 1 86 86 ASP N N 86 120.508 120.508 120.409 0.099 17613 11459 1 16 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.771 -0.086 17613 11460 1 16 . 1 1 86 86 ASP C C 86 175.747 175.747 175.970 -0.223 17613 11461 1 16 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.048 -0.536 17613 11462 1 16 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.710 0.247 17613 11463 1 16 . 1 1 86 86 ASP H H 86 8.691 8.691 8.234 0.457 17613 11464 1 16 . 1 1 87 87 GLU N N 87 123.604 123.604 122.987 0.617 17613 11465 1 16 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.045 -0.010 17613 11466 1 16 . 1 1 87 87 GLU C C 87 177.771 177.771 177.773 -0.002 17613 11467 1 16 . 1 1 87 87 GLU CA C 87 58.522 58.522 58.822 -0.300 17613 11468 1 16 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.804 -0.229 17613 11469 1 16 . 1 1 87 87 GLU H H 87 8.642 8.642 8.560 0.082 17613 11470 1 16 . 1 1 88 88 ASN N N 88 118.838 118.838 118.390 0.448 17613 11471 1 16 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.459 0.102 17613 11472 1 16 . 1 1 88 88 ASN C C 88 177.089 177.089 177.397 -0.308 17613 11473 1 16 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.266 -0.624 17613 11474 1 16 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.718 0.448 17613 11475 1 16 . 1 1 88 88 ASN H H 88 8.527 8.527 8.550 -0.023 17613 11476 1 16 . 1 1 89 89 GLU N N 89 120.947 120.947 120.131 0.816 17613 11477 1 16 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.123 0.024 17613 11478 1 16 . 1 1 89 89 GLU C C 89 178.357 178.357 178.797 -0.440 17613 11479 1 16 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.966 -0.715 17613 11480 1 16 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.030 0.214 17613 11481 1 16 . 1 1 89 89 GLU H H 89 8.221 8.221 8.586 -0.365 17613 11482 1 16 . 1 1 90 90 LEU N N 90 119.582 119.582 122.224 -2.642 17613 11483 1 16 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.190 0.015 17613 11484 1 16 . 1 1 90 90 LEU C C 90 177.917 177.917 178.764 -0.847 17613 11485 1 16 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.778 -0.834 17613 11486 1 16 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.772 0.684 17613 11487 1 16 . 1 1 90 90 LEU H H 90 8.047 8.047 7.781 0.266 17613 11488 1 16 . 1 1 91 91 GLU N N 91 119.029 119.029 119.141 -0.112 17613 11489 1 16 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.028 0.045 17613 11490 1 16 . 1 1 91 91 GLU C C 91 178.284 178.284 178.790 -0.506 17613 11491 1 16 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.244 -0.115 17613 11492 1 16 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.088 -0.118 17613 11493 1 16 . 1 1 91 91 GLU H H 91 7.940 7.940 7.877 0.063 17613 11494 1 16 . 1 1 92 92 GLU N N 92 118.667 118.667 119.278 -0.611 17613 11495 1 16 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.006 0.026 17613 11496 1 16 . 1 1 92 92 GLU C C 92 178.103 178.103 179.240 -1.137 17613 11497 1 16 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.358 -0.106 17613 11498 1 16 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.380 -0.448 17613 11499 1 16 . 1 1 92 92 GLU H H 92 8.088 8.088 7.838 0.249 17613 11500 1 16 . 1 1 93 93 PHE N N 93 120.118 120.118 119.824 0.294 17613 11501 1 16 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.211 0.129 17613 11502 1 16 . 1 1 93 93 PHE C C 93 176.894 176.894 177.383 -0.489 17613 11503 1 16 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.542 -0.097 17613 11504 1 16 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.318 -0.331 17613 11505 1 16 . 1 1 93 93 PHE H H 93 8.103 8.103 8.155 -0.052 17613 11506 1 16 . 1 1 94 94 LYS N N 94 118.941 118.941 119.752 -0.811 17613 11507 1 16 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.896 -0.279 17613 11508 1 16 . 1 1 94 94 LYS C C 94 177.600 177.600 178.976 -1.376 17613 11509 1 16 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.284 0.792 17613 11510 1 16 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.105 0.360 17613 11511 1 16 . 1 1 94 94 LYS H H 94 8.606 8.606 7.946 0.660 17613 11512 1 16 . 1 1 95 95 ARG N N 95 117.194 117.194 117.564 -0.370 17613 11513 1 16 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.025 0.125 17613 11514 1 16 . 1 1 95 95 ARG C C 95 179.404 179.404 179.143 0.261 17613 11515 1 16 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.393 -0.290 17613 11516 1 16 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.996 -0.177 17613 11517 1 16 . 1 1 95 95 ARG H H 95 8.159 8.159 7.794 0.365 17613 11518 1 16 . 1 1 96 96 LYS N N 96 119.582 119.582 119.873 -0.291 17613 11519 1 16 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.043 0.022 17613 11520 1 16 . 1 1 96 96 LYS C C 96 179.034 179.034 179.056 -0.022 17613 11521 1 16 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.133 -0.199 17613 11522 1 16 . 1 1 96 96 LYS CB C 96 32.069 32.069 31.693 0.376 17613 11523 1 16 . 1 1 96 96 LYS H H 96 7.786 7.786 7.490 0.296 17613 11524 1 16 . 1 1 97 97 ILE N N 97 118.550 118.550 118.472 0.078 17613 11525 1 16 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.930 0.008 17613 11526 1 16 . 1 1 97 97 ILE C C 97 178.284 178.284 177.852 0.432 17613 11527 1 16 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.950 -1.381 17613 11528 1 16 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.463 -0.257 17613 11529 1 16 . 1 1 97 97 ILE H H 97 7.831 7.831 7.234 0.597 17613 11530 1 16 . 1 1 98 98 GLU N N 98 121.984 121.984 120.613 1.371 17613 11531 1 16 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.093 0.243 17613 11532 1 16 . 1 1 98 98 GLU C C 98 180.040 180.040 179.448 0.592 17613 11533 1 16 . 1 1 98 98 GLU CA C 98 58.950 58.950 59.194 -0.244 17613 11534 1 16 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.409 0.026 17613 11535 1 16 . 1 1 98 98 GLU H H 98 8.670 8.670 8.109 0.561 17613 11536 1 16 . 1 1 99 99 SER N N 99 115.499 115.499 115.489 0.010 17613 11537 1 16 . 1 1 99 99 SER HA H 99 4.343 4.343 4.360 -0.017 17613 11538 1 16 . 1 1 99 99 SER C C 99 174.820 174.820 176.261 -1.441 17613 11539 1 16 . 1 1 99 99 SER CA C 99 60.410 60.410 60.507 -0.097 17613 11540 1 16 . 1 1 99 99 SER CB C 99 62.680 62.680 63.009 -0.329 17613 11541 1 16 . 1 1 99 99 SER H H 99 8.099 8.099 7.624 0.475 17613 11542 1 16 . 1 1 100 100 GLN N N 100 119.301 119.301 119.193 0.108 17613 11543 1 16 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.349 -0.039 17613 11544 1 16 . 1 1 100 100 GLN C C 100 175.857 175.857 176.031 -0.174 17613 11545 1 16 . 1 1 100 100 GLN CA C 100 55.926 55.926 56.151 -0.225 17613 11546 1 16 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.397 -0.185 17613 11547 1 16 . 1 1 100 100 GLN H H 100 7.623 7.623 7.433 0.190 17613 11548 1 16 . 1 1 101 101 GLY N N 101 105.765 105.765 106.491 -0.726 17613 11549 1 16 . 1 1 101 101 GLY C C 101 173.748 173.748 174.031 -0.283 17613 11550 1 16 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.970 0.233 17613 11551 1 16 . 1 1 101 101 GLY H H 101 7.945 7.945 7.588 0.357 17613 11552 1 16 . 1 1 102 102 TYR N N 102 117.993 117.993 117.998 -0.005 17613 11553 1 16 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.595 0.077 17613 11554 1 16 . 1 1 102 102 TYR C C 102 174.747 174.747 175.085 -0.338 17613 11555 1 16 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.921 -0.667 17613 11556 1 16 . 1 1 102 102 TYR CB C 102 39.048 39.048 41.318 -2.270 17613 11557 1 16 . 1 1 102 102 TYR H H 102 6.890 6.890 7.542 -0.652 17613 11558 1 16 . 1 1 103 103 GLU N N 103 122.864 122.864 125.357 -2.493 17613 11559 1 16 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.435 0.072 17613 11560 1 16 . 1 1 103 103 GLU C C 103 174.162 174.162 175.014 -0.852 17613 11561 1 16 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.142 0.241 17613 11562 1 16 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.018 1.353 17613 11563 1 16 . 1 1 103 103 GLU H H 103 8.318 8.318 9.039 -0.721 17613 11564 1 16 . 1 1 104 104 VAL N N 104 124.342 124.342 126.355 -2.013 17613 11565 1 16 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.592 0.636 17613 11566 1 16 . 1 1 104 104 VAL C C 104 174.235 174.235 175.841 -1.606 17613 11567 1 16 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.664 -2.385 17613 11568 1 16 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.745 1.422 17613 11569 1 16 . 1 1 104 104 VAL H H 104 8.651 8.651 7.993 0.658 17613 11570 1 16 . 1 1 105 105 ARG N N 105 124.856 124.856 129.025 -4.169 17613 11571 1 16 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.808 0.107 17613 11572 1 16 . 1 1 105 105 ARG C C 105 173.917 173.917 175.138 -1.221 17613 11573 1 16 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.545 -1.080 17613 11574 1 16 . 1 1 105 105 ARG CB C 105 32.955 32.955 31.983 0.972 17613 11575 1 16 . 1 1 105 105 ARG H H 105 8.705 8.705 9.106 -0.401 17613 11576 1 16 . 1 1 106 106 LYS N N 106 121.499 121.499 122.766 -1.267 17613 11577 1 16 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.534 0.044 17613 11578 1 16 . 1 1 106 106 LYS C C 106 174.820 174.820 175.463 -0.643 17613 11579 1 16 . 1 1 106 106 LYS CA C 106 53.868 53.868 54.924 -1.056 17613 11580 1 16 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.870 0.429 17613 11581 1 16 . 1 1 106 106 LYS H H 106 8.807 8.807 8.508 0.299 17613 11582 1 16 . 1 1 107 107 VAL N N 107 118.792 118.792 120.604 -1.812 17613 11583 1 16 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.384 0.231 17613 11584 1 16 . 1 1 107 107 VAL C C 107 173.332 173.332 174.042 -0.710 17613 11585 1 16 . 1 1 107 107 VAL CA C 107 60.222 60.222 61.417 -1.195 17613 11586 1 16 . 1 1 107 107 VAL CB C 107 35.234 35.234 36.337 -1.103 17613 11587 1 16 . 1 1 107 107 VAL H H 107 8.555 8.555 8.205 0.350 17613 11588 1 16 . 1 1 108 108 THR N N 108 114.072 114.072 118.982 -4.910 17613 11589 1 16 . 1 1 108 108 THR HA H 108 4.781 4.781 4.670 0.111 17613 11590 1 16 . 1 1 108 108 THR C C 108 174.625 174.625 172.953 1.672 17613 11591 1 16 . 1 1 108 108 THR CA C 108 62.221 62.221 62.450 -0.229 17613 11592 1 16 . 1 1 108 108 THR CB C 108 69.975 69.975 69.001 0.974 17613 11593 1 16 . 1 1 108 108 THR H H 108 8.604 8.604 8.362 0.242 17613 11594 1 16 . 1 1 109 109 ASP N N 109 122.574 122.574 120.405 2.169 17613 11595 1 16 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.817 -0.079 17613 11596 1 16 . 1 1 109 109 ASP C C 109 175.796 175.796 175.237 0.559 17613 11597 1 16 . 1 1 109 109 ASP CA C 109 53.849 53.849 53.359 0.490 17613 11598 1 16 . 1 1 109 109 ASP CB C 109 43.688 43.688 44.271 -0.583 17613 11599 1 16 . 1 1 109 109 ASP H H 109 8.036 8.036 7.715 0.321 17613 11600 1 16 . 1 1 110 110 ASP N N 110 122.852 122.852 125.219 -2.367 17613 11601 1 16 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.361 -0.266 17613 11602 1 16 . 1 1 110 110 ASP C C 110 177.527 177.527 177.225 0.302 17613 11603 1 16 . 1 1 110 110 ASP CA C 110 57.388 57.388 56.567 0.821 17613 11604 1 16 . 1 1 110 110 ASP CB C 110 40.301 40.301 41.145 -0.844 17613 11605 1 16 . 1 1 110 110 ASP H H 110 8.696 8.696 8.624 0.072 17613 11606 1 16 . 1 1 111 111 GLU N N 111 119.144 119.144 119.408 -0.264 17613 11607 1 16 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.014 -0.026 17613 11608 1 16 . 1 1 111 111 GLU C C 111 179.942 179.942 178.789 1.153 17613 11609 1 16 . 1 1 111 111 GLU CA C 111 59.357 59.357 58.748 0.609 17613 11610 1 16 . 1 1 111 111 GLU CB C 111 28.496 28.496 28.771 -0.275 17613 11611 1 16 . 1 1 111 111 GLU H H 111 8.213 8.213 8.155 0.058 17613 11612 1 16 . 1 1 112 112 GLU N N 112 121.400 121.400 121.100 0.300 17613 11613 1 16 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.039 -0.042 17613 11614 1 16 . 1 1 112 112 GLU C C 112 178.430 178.430 178.450 -0.020 17613 11615 1 16 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.829 -0.080 17613 11616 1 16 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.166 0.028 17613 11617 1 16 . 1 1 112 112 GLU H H 112 8.234 8.234 8.255 -0.021 17613 11618 1 16 . 1 1 113 113 ALA N N 113 120.316 120.316 122.417 -2.101 17613 11619 1 16 . 1 1 113 113 ALA HA H 113 3.800 3.800 3.928 -0.128 17613 11620 1 16 . 1 1 113 113 ALA C C 113 178.430 178.430 179.472 -1.042 17613 11621 1 16 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.332 0.050 17613 11622 1 16 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.401 0.201 17613 11623 1 16 . 1 1 113 113 ALA H H 113 8.118 8.118 7.603 0.515 17613 11624 1 16 . 1 1 114 114 LEU N N 114 116.901 116.901 118.225 -1.324 17613 11625 1 16 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.796 -0.083 17613 11626 1 16 . 1 1 114 114 LEU C C 114 178.431 178.431 178.981 -0.550 17613 11627 1 16 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.616 0.059 17613 11628 1 16 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.326 -0.390 17613 11629 1 16 . 1 1 114 114 LEU H H 114 7.743 7.743 8.009 -0.266 17613 11630 1 16 . 1 1 115 115 LYS N N 115 119.066 119.066 119.859 -0.793 17613 11631 1 16 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.854 -0.054 17613 11632 1 16 . 1 1 115 115 LYS C C 115 179.404 179.404 178.674 0.730 17613 11633 1 16 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.697 0.186 17613 11634 1 16 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.273 -0.095 17613 11635 1 16 . 1 1 115 115 LYS H H 115 7.617 7.617 7.587 0.030 17613 11636 1 16 . 1 1 116 116 ILE N N 116 120.613 120.613 119.113 1.500 17613 11637 1 16 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.809 -0.349 17613 11638 1 16 . 1 1 116 116 ILE C C 116 177.016 177.016 178.354 -1.338 17613 11639 1 16 . 1 1 116 116 ILE CA C 116 64.122 64.122 63.359 0.763 17613 11640 1 16 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.516 -0.193 17613 11641 1 16 . 1 1 116 116 ILE H H 116 8.004 8.004 7.913 0.091 17613 11642 1 16 . 1 1 117 117 VAL N N 117 120.234 120.234 119.657 0.577 17613 11643 1 16 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.488 -0.228 17613 11644 1 16 . 1 1 117 117 VAL C C 117 177.746 177.746 177.891 -0.145 17613 11645 1 16 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.018 0.487 17613 11646 1 16 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.956 -0.203 17613 11647 1 16 . 1 1 117 117 VAL H H 117 8.121 8.121 7.769 0.352 17613 11648 1 16 . 1 1 118 118 ARG N N 118 118.415 118.415 119.466 -1.051 17613 11649 1 16 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.899 -0.006 17613 11650 1 16 . 1 1 118 118 ARG C C 118 178.966 178.966 178.894 0.072 17613 11651 1 16 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.666 0.503 17613 11652 1 16 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.797 -0.095 17613 11653 1 16 . 1 1 118 118 ARG H H 118 8.026 8.026 7.732 0.294 17613 11654 1 16 . 1 1 119 119 GLU N N 119 122.419 122.419 120.414 2.005 17613 11655 1 16 . 1 1 119 119 GLU HA H 119 4.027 4.027 3.965 0.062 17613 11656 1 16 . 1 1 119 119 GLU C C 119 179.429 179.429 178.998 0.431 17613 11657 1 16 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.302 0.228 17613 11658 1 16 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.313 -0.352 17613 11659 1 16 . 1 1 119 119 GLU H H 119 7.918 7.918 7.959 -0.041 17613 11660 1 16 . 1 1 120 120 PHE N N 120 119.597 119.597 119.214 0.383 17613 11661 1 16 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.702 0.320 17613 11662 1 16 . 1 1 120 120 PHE C C 120 177.698 177.698 177.858 -0.160 17613 11663 1 16 . 1 1 120 120 PHE CA C 120 56.868 56.868 59.472 -2.604 17613 11664 1 16 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.103 -1.350 17613 11665 1 16 . 1 1 120 120 PHE H H 120 8.826 8.826 7.858 0.968 17613 11666 1 16 . 1 1 121 121 MET N N 121 116.596 116.596 116.994 -0.398 17613 11667 1 16 . 1 1 121 121 MET HA H 121 3.931 3.931 3.924 0.007 17613 11668 1 16 . 1 1 121 121 MET C C 121 179.577 179.577 178.829 0.748 17613 11669 1 16 . 1 1 121 121 MET CA C 121 59.785 59.785 58.718 1.067 17613 11670 1 16 . 1 1 121 121 MET CB C 121 33.643 33.643 31.934 1.709 17613 11671 1 16 . 1 1 121 121 MET H H 121 8.317 8.317 8.269 0.048 17613 11672 1 16 . 1 1 122 122 GLN N N 122 120.565 120.565 120.081 0.484 17613 11673 1 16 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.956 0.179 17613 11674 1 16 . 1 1 122 122 GLN C C 122 178.893 178.893 177.710 1.183 17613 11675 1 16 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.231 -0.486 17613 11676 1 16 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.635 -0.615 17613 11677 1 16 . 1 1 122 122 GLN H H 122 8.054 8.054 7.965 0.089 17613 11678 1 16 . 1 1 123 123 LYS N N 123 121.605 121.605 119.623 1.982 17613 11679 1 16 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.043 -0.018 17613 11680 1 16 . 1 1 123 123 LYS C C 123 179.307 179.307 179.236 0.071 17613 11681 1 16 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.361 -0.118 17613 11682 1 16 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.108 0.198 17613 11683 1 16 . 1 1 123 123 LYS H H 123 8.400 8.400 7.871 0.529 17613 11684 1 16 . 1 1 124 124 ALA N N 124 121.873 121.873 120.684 1.189 17613 11685 1 16 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.298 -0.154 17613 11686 1 16 . 1 1 124 124 ALA C C 124 179.112 179.112 179.471 -0.359 17613 11687 1 16 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.990 -0.338 17613 11688 1 16 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.638 0.296 17613 11689 1 16 . 1 1 124 124 ALA H H 124 8.601 8.601 8.128 0.473 17613 11690 1 16 . 1 1 125 125 GLY N N 125 104.755 104.755 106.193 -1.438 17613 11691 1 16 . 1 1 125 125 GLY C C 125 175.553 175.553 176.446 -0.893 17613 11692 1 16 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.134 -0.843 17613 11693 1 16 . 1 1 125 125 GLY H H 125 7.949 7.949 8.146 -0.197 17613 11694 1 16 . 1 1 126 126 SER N N 126 116.080 116.080 116.993 -0.913 17613 11695 1 16 . 1 1 126 126 SER HA H 126 4.447 4.447 4.317 0.130 17613 11696 1 16 . 1 1 126 126 SER C C 126 175.504 175.504 175.752 -0.248 17613 11697 1 16 . 1 1 126 126 SER CA C 126 59.965 59.965 61.653 -1.688 17613 11698 1 16 . 1 1 126 126 SER CB C 126 63.460 63.460 63.080 0.380 17613 11699 1 16 . 1 1 126 126 SER H H 126 7.861 7.861 8.053 -0.192 17613 11700 1 16 . 1 1 127 127 LEU N N 127 122.372 122.372 120.227 2.145 17613 11701 1 16 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.723 -0.441 17613 11702 1 16 . 1 1 127 127 LEU C C 127 177.990 177.990 179.855 -1.865 17613 11703 1 16 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.968 -0.751 17613 11704 1 16 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.201 -0.128 17613 11705 1 16 . 1 1 127 127 LEU H H 127 7.882 7.882 7.242 0.640 17613 11706 1 16 . 1 1 128 128 GLU N N 128 119.775 119.775 118.457 1.318 17613 11707 1 16 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.025 -0.117 17613 11708 1 16 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.018 -0.407 17613 11709 1 16 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.513 0.317 17613 11710 1 16 . 1 1 128 128 GLU H H 128 8.084 8.084 7.928 0.156 17613 11711 1 16 . 1 1 131 131 HIS N N 131 125.272 125.272 121.533 3.739 17613 11712 1 16 . 1 1 131 131 HIS H H 131 8.059 8.059 8.229 -0.170 17613 11713 1 17 . 1 1 3 3 ILE HA H 3 4.826 4.826 5.043 -0.217 17613 11714 1 17 . 1 1 3 3 ILE C C 3 173.405 173.405 174.922 -1.517 17613 11715 1 17 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.034 -0.478 17613 11716 1 17 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.625 0.883 17613 11717 1 17 . 1 1 3 3 ILE H H 3 8.444 8.444 8.682 -0.238 17613 11718 1 17 . 1 1 4 4 LEU N N 4 127.785 127.785 128.074 -0.289 17613 11719 1 17 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.411 0.048 17613 11720 1 17 . 1 1 4 4 LEU C C 4 174.832 174.832 176.489 -1.657 17613 11721 1 17 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.216 0.125 17613 11722 1 17 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.700 1.613 17613 11723 1 17 . 1 1 4 4 LEU H H 4 9.081 9.081 8.930 0.151 17613 11724 1 17 . 1 1 5 5 ILE N N 5 123.010 123.010 124.851 -1.841 17613 11725 1 17 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.538 0.295 17613 11726 1 17 . 1 1 5 5 ILE C C 5 173.357 173.357 174.983 -1.626 17613 11727 1 17 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.447 1.097 17613 11728 1 17 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.618 2.914 17613 11729 1 17 . 1 1 5 5 ILE H H 5 8.765 8.765 8.649 0.116 17613 11730 1 17 . 1 1 6 6 LEU N N 6 129.320 129.320 130.658 -1.338 17613 11731 1 17 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.255 0.091 17613 11732 1 17 . 1 1 6 6 LEU C C 6 174.795 174.795 175.005 -0.210 17613 11733 1 17 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.216 -0.216 17613 11734 1 17 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.471 1.058 17613 11735 1 17 . 1 1 6 6 LEU H H 6 9.235 9.235 8.147 1.088 17613 11736 1 17 . 1 1 7 7 ILE N N 7 120.746 120.746 126.014 -5.268 17613 11737 1 17 . 1 1 7 7 ILE HA H 7 5.181 5.181 5.005 0.176 17613 11738 1 17 . 1 1 7 7 ILE C C 7 173.819 173.819 174.062 -0.243 17613 11739 1 17 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.092 -1.877 17613 11740 1 17 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.479 -1.325 17613 11741 1 17 . 1 1 7 7 ILE H H 7 8.931 8.931 8.986 -0.055 17613 11742 1 17 . 1 1 8 8 ASN N N 8 125.539 125.539 125.884 -0.345 17613 11743 1 17 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.257 0.645 17613 11744 1 17 . 1 1 8 8 ASN C C 8 176.478 176.478 173.596 2.882 17613 11745 1 17 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.950 -0.846 17613 11746 1 17 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.530 1.052 17613 11747 1 17 . 1 1 8 8 ASN H H 8 8.634 8.634 8.676 -0.042 17613 11748 1 17 . 1 1 9 9 THR N N 9 118.493 118.493 120.306 -1.813 17613 11749 1 17 . 1 1 9 9 THR HA H 9 4.739 4.739 5.129 -0.390 17613 11750 1 17 . 1 1 9 9 THR C C 9 170.114 170.114 175.089 -4.975 17613 11751 1 17 . 1 1 9 9 THR CA C 9 60.689 60.689 59.573 1.116 17613 11752 1 17 . 1 1 9 9 THR CB C 9 67.766 67.766 71.394 -3.627 17613 11753 1 17 . 1 1 9 9 THR H H 9 8.044 8.044 8.470 -0.426 17613 11754 1 17 . 1 1 10 10 ASN N N 10 123.266 123.266 123.659 -0.393 17613 11755 1 17 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.579 0.388 17613 11756 1 17 . 1 1 10 10 ASN C C 10 174.601 174.601 175.243 -0.642 17613 11757 1 17 . 1 1 10 10 ASN CA C 10 51.844 51.844 55.037 -3.193 17613 11758 1 17 . 1 1 10 10 ASN CB C 10 39.316 39.316 38.975 0.341 17613 11759 1 17 . 1 1 10 10 ASN H H 10 8.440 8.440 8.344 0.096 17613 11760 1 17 . 1 1 11 11 ASN N N 11 120.920 120.920 119.357 1.563 17613 11761 1 17 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.869 -0.176 17613 11762 1 17 . 1 1 11 11 ASN C C 11 174.333 174.333 174.608 -0.275 17613 11763 1 17 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.246 0.190 17613 11764 1 17 . 1 1 11 11 ASN CB C 11 38.349 38.349 38.772 -0.423 17613 11765 1 17 . 1 1 11 11 ASN H H 11 8.366 8.366 7.749 0.617 17613 11766 1 17 . 1 1 12 12 ASP N N 12 126.315 126.315 123.684 2.631 17613 11767 1 17 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.293 -0.020 17613 11768 1 17 . 1 1 12 12 ASP C C 12 178.089 178.089 177.499 0.590 17613 11769 1 17 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.490 0.118 17613 11770 1 17 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.936 0.225 17613 11771 1 17 . 1 1 12 12 ASP H H 12 8.586 8.586 8.853 -0.267 17613 11772 1 17 . 1 1 13 13 GLU N N 13 119.325 119.325 120.322 -0.997 17613 11773 1 17 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.024 0.002 17613 11774 1 17 . 1 1 13 13 GLU C C 13 178.893 178.893 178.367 0.526 17613 11775 1 17 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.092 -0.085 17613 11776 1 17 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.272 -0.563 17613 11777 1 17 . 1 1 13 13 GLU H H 13 8.289 8.289 8.448 -0.159 17613 11778 1 17 . 1 1 14 14 LEU N N 14 121.683 121.683 118.778 2.905 17613 11779 1 17 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.133 -0.148 17613 11780 1 17 . 1 1 14 14 LEU C C 14 178.309 178.309 178.944 -0.635 17613 11781 1 17 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.572 0.689 17613 11782 1 17 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.829 -0.724 17613 11783 1 17 . 1 1 14 14 LEU H H 14 7.577 7.577 7.486 0.091 17613 11784 1 17 . 1 1 15 15 ILE N N 15 119.483 119.483 119.975 -0.492 17613 11785 1 17 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.513 -0.294 17613 11786 1 17 . 1 1 15 15 ILE C C 15 177.138 177.138 177.831 -0.693 17613 11787 1 17 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.683 0.907 17613 11788 1 17 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.505 -0.081 17613 11789 1 17 . 1 1 15 15 ILE H H 15 8.238 8.238 7.325 0.913 17613 11790 1 17 . 1 1 16 16 LYS N N 16 117.596 117.596 118.588 -0.992 17613 11791 1 17 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.015 -0.172 17613 11792 1 17 . 1 1 16 16 LYS C C 16 179.577 179.577 179.093 0.484 17613 11793 1 17 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.341 0.828 17613 11794 1 17 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.001 0.163 17613 11795 1 17 . 1 1 16 16 LYS H H 16 7.604 7.604 7.624 -0.020 17613 11796 1 17 . 1 1 17 17 LYS N N 17 118.832 118.832 119.693 -0.861 17613 11797 1 17 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.111 -0.119 17613 11798 1 17 . 1 1 17 17 LYS C C 17 179.380 179.380 179.055 0.325 17613 11799 1 17 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.264 0.576 17613 11800 1 17 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.485 0.580 17613 11801 1 17 . 1 1 17 17 LYS H H 17 7.583 7.583 7.464 0.119 17613 11802 1 17 . 1 1 18 18 ILE N N 18 120.961 120.961 120.653 0.308 17613 11803 1 17 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.638 -0.266 17613 11804 1 17 . 1 1 18 18 ILE C C 18 176.967 176.967 177.563 -0.596 17613 11805 1 17 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.055 0.419 17613 11806 1 17 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.659 -0.103 17613 11807 1 17 . 1 1 18 18 ILE H H 18 8.785 8.785 8.295 0.490 17613 11808 1 17 . 1 1 19 19 LYS N N 19 118.324 118.324 119.616 -1.292 17613 11809 1 17 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.870 -0.190 17613 11810 1 17 . 1 1 19 19 LYS C C 19 177.746 177.746 178.814 -1.068 17613 11811 1 17 . 1 1 19 19 LYS CA C 19 60.853 60.853 60.252 0.601 17613 11812 1 17 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.121 0.205 17613 11813 1 17 . 1 1 19 19 LYS H H 19 8.532 8.532 7.779 0.753 17613 11814 1 17 . 1 1 20 20 LYS N N 20 116.284 116.284 117.841 -1.557 17613 11815 1 17 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.101 -0.014 17613 11816 1 17 . 1 1 20 20 LYS C C 20 178.406 178.406 178.856 -0.450 17613 11817 1 17 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.782 -0.243 17613 11818 1 17 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.708 0.273 17613 11819 1 17 . 1 1 20 20 LYS H H 20 7.303 7.303 7.438 -0.135 17613 11820 1 17 . 1 1 21 21 GLU N N 21 118.488 118.488 118.087 0.401 17613 11821 1 17 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.074 -0.111 17613 11822 1 17 . 1 1 21 21 GLU C C 21 179.088 179.088 178.635 0.453 17613 11823 1 17 . 1 1 21 21 GLU CA C 21 58.894 58.894 58.961 -0.066 17613 11824 1 17 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.554 -0.120 17613 11825 1 17 . 1 1 21 21 GLU H H 21 7.665 7.665 7.897 -0.232 17613 11826 1 17 . 1 1 22 22 VAL N N 22 109.032 109.032 111.806 -2.774 17613 11827 1 17 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.505 -0.373 17613 11828 1 17 . 1 1 22 22 VAL CA C 22 62.799 62.799 62.288 0.512 17613 11829 1 17 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.694 -2.865 17613 11830 1 17 . 1 1 22 22 VAL H H 22 8.037 8.037 7.807 0.230 17613 11831 1 17 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.757 -0.040 17613 11832 1 17 . 1 1 24 24 ASN CA C 24 58.808 58.808 54.486 4.322 17613 11833 1 17 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.315 -0.144 17613 11834 1 17 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.647 -0.001 17613 11835 1 17 . 1 1 25 25 GLN C C 25 175.692 175.692 175.967 -0.275 17613 11836 1 17 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.588 -0.570 17613 11837 1 17 . 1 1 26 26 GLY N N 26 106.368 106.368 108.549 -2.181 17613 11838 1 17 . 1 1 26 26 GLY C C 26 174.382 174.382 174.002 0.380 17613 11839 1 17 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.775 0.182 17613 11840 1 17 . 1 1 26 26 GLY H H 26 8.020 8.020 7.671 0.349 17613 11841 1 17 . 1 1 27 27 TYR N N 27 119.082 119.082 119.250 -0.168 17613 11842 1 17 . 1 1 27 27 TYR HA H 27 4.433 4.433 5.075 -0.642 17613 11843 1 17 . 1 1 27 27 TYR C C 27 174.528 174.528 175.771 -1.243 17613 11844 1 17 . 1 1 27 27 TYR CA C 27 58.054 58.054 56.580 1.474 17613 11845 1 17 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.829 -0.824 17613 11846 1 17 . 1 1 27 27 TYR H H 27 7.845 7.845 8.069 -0.224 17613 11847 1 17 . 1 1 28 28 GLN N N 28 120.362 120.362 124.856 -4.494 17613 11848 1 17 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.377 0.122 17613 11849 1 17 . 1 1 28 28 GLN C C 28 174.625 174.625 175.295 -0.670 17613 11850 1 17 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.551 -1.171 17613 11851 1 17 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.785 1.670 17613 11852 1 17 . 1 1 28 28 GLN H H 28 8.338 8.338 8.931 -0.593 17613 11853 1 17 . 1 1 29 29 VAL N N 29 123.482 123.482 125.873 -2.391 17613 11854 1 17 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.452 0.591 17613 11855 1 17 . 1 1 29 29 VAL C C 29 175.820 175.820 176.148 -0.328 17613 11856 1 17 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.481 -0.993 17613 11857 1 17 . 1 1 29 29 VAL CB C 29 32.473 32.473 31.464 1.009 17613 11858 1 17 . 1 1 29 29 VAL H H 29 8.776 8.776 8.428 0.348 17613 11859 1 17 . 1 1 30 30 ARG N N 30 127.787 127.787 128.487 -0.700 17613 11860 1 17 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.616 0.124 17613 11861 1 17 . 1 1 30 30 ARG C C 30 173.332 173.332 174.632 -1.300 17613 11862 1 17 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.404 0.384 17613 11863 1 17 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.873 0.518 17613 11864 1 17 . 1 1 30 30 ARG H H 30 9.135 9.135 8.604 0.531 17613 11865 1 17 . 1 1 31 31 ASP N N 31 121.895 121.895 125.628 -3.733 17613 11866 1 17 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.175 0.035 17613 11867 1 17 . 1 1 31 31 ASP C C 31 175.282 175.282 175.533 -0.251 17613 11868 1 17 . 1 1 31 31 ASP CA C 31 53.370 53.370 53.949 -0.579 17613 11869 1 17 . 1 1 31 31 ASP CB C 31 42.722 42.722 42.106 0.616 17613 11870 1 17 . 1 1 31 31 ASP H H 31 8.377 8.377 8.618 -0.241 17613 11871 1 17 . 1 1 32 32 VAL N N 32 120.426 120.426 124.134 -3.708 17613 11872 1 17 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.375 -0.127 17613 11873 1 17 . 1 1 32 32 VAL C C 32 174.114 174.114 174.657 -0.543 17613 11874 1 17 . 1 1 32 32 VAL CA C 32 61.557 61.557 60.627 0.930 17613 11875 1 17 . 1 1 32 32 VAL CB C 32 33.884 33.884 32.576 1.308 17613 11876 1 17 . 1 1 32 32 VAL H H 32 8.441 8.441 8.572 -0.131 17613 11877 1 17 . 1 1 33 33 ASN N N 33 122.700 122.700 123.199 -0.499 17613 11878 1 17 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.899 0.078 17613 11879 1 17 . 1 1 33 33 ASN C C 33 174.235 174.235 173.960 0.275 17613 11880 1 17 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.234 0.162 17613 11881 1 17 . 1 1 33 33 ASN CB C 33 40.869 40.869 41.100 -0.231 17613 11882 1 17 . 1 1 33 33 ASN H H 33 9.550 9.550 8.928 0.622 17613 11883 1 17 . 1 1 34 34 ASP N N 34 114.885 114.885 119.153 -4.268 17613 11884 1 17 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.949 -0.246 17613 11885 1 17 . 1 1 34 34 ASP C C 34 175.626 175.626 176.193 -0.567 17613 11886 1 17 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.486 0.997 17613 11887 1 17 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.073 -0.677 17613 11888 1 17 . 1 1 34 34 ASP H H 34 7.616 7.616 7.909 -0.293 17613 11889 1 17 . 1 1 35 35 SER N N 35 114.381 114.381 119.889 -5.508 17613 11890 1 17 . 1 1 35 35 SER HA H 35 4.046 4.046 4.195 -0.149 17613 11891 1 17 . 1 1 35 35 SER C C 35 175.991 175.991 176.115 -0.124 17613 11892 1 17 . 1 1 35 35 SER CA C 35 61.446 61.446 61.812 -0.366 17613 11893 1 17 . 1 1 35 35 SER CB C 35 62.764 62.764 63.451 -0.687 17613 11894 1 17 . 1 1 35 35 SER H H 35 8.869 8.869 8.795 0.074 17613 11895 1 17 . 1 1 36 36 ASP N N 36 124.695 124.695 121.660 3.035 17613 11896 1 17 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.478 0.041 17613 11897 1 17 . 1 1 36 36 ASP C C 36 179.136 179.136 178.266 0.870 17613 11898 1 17 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.171 0.497 17613 11899 1 17 . 1 1 36 36 ASP CB C 36 40.284 40.284 41.067 -0.783 17613 11900 1 17 . 1 1 36 36 ASP H H 36 8.388 8.388 8.070 0.318 17613 11901 1 17 . 1 1 37 37 GLU N N 37 122.449 122.449 119.609 2.840 17613 11902 1 17 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.093 -0.034 17613 11903 1 17 . 1 1 37 37 GLU C C 37 178.698 178.698 178.797 -0.099 17613 11904 1 17 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.379 0.830 17613 11905 1 17 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.438 0.283 17613 11906 1 17 . 1 1 37 37 GLU H H 37 9.009 9.009 8.022 0.987 17613 11907 1 17 . 1 1 38 38 LEU N N 38 119.580 119.580 121.996 -2.416 17613 11908 1 17 . 1 1 38 38 LEU HA H 38 3.911 3.911 4.021 -0.110 17613 11909 1 17 . 1 1 38 38 LEU C C 38 177.649 177.649 178.064 -0.415 17613 11910 1 17 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.565 0.568 17613 11911 1 17 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.913 -0.844 17613 11912 1 17 . 1 1 38 38 LEU H H 38 8.203 8.203 8.114 0.089 17613 11913 1 17 . 1 1 39 39 LYS N N 39 118.404 118.404 117.904 0.500 17613 11914 1 17 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.971 -0.130 17613 11915 1 17 . 1 1 39 39 LYS C C 39 179.577 179.577 179.229 0.348 17613 11916 1 17 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.457 0.409 17613 11917 1 17 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.050 -0.002 17613 11918 1 17 . 1 1 39 39 LYS H H 39 7.829 7.829 7.719 0.110 17613 11919 1 17 . 1 1 40 40 LYS N N 40 119.271 119.271 119.591 -0.320 17613 11920 1 17 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.052 -0.030 17613 11921 1 17 . 1 1 40 40 LYS C C 40 179.577 179.577 179.161 0.416 17613 11922 1 17 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.964 0.626 17613 11923 1 17 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.906 0.494 17613 11924 1 17 . 1 1 40 40 LYS H H 40 7.779 7.779 7.582 0.197 17613 11925 1 17 . 1 1 41 41 GLU N N 41 119.647 119.647 119.646 0.001 17613 11926 1 17 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.081 0.182 17613 11927 1 17 . 1 1 41 41 GLU C C 41 179.504 179.504 179.094 0.410 17613 11928 1 17 . 1 1 41 41 GLU CA C 41 58.074 58.074 59.021 -0.947 17613 11929 1 17 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.197 -0.951 17613 11930 1 17 . 1 1 41 41 GLU H H 41 8.721 8.721 7.734 0.987 17613 11931 1 17 . 1 1 42 42 MET N N 42 118.114 118.114 117.008 1.106 17613 11932 1 17 . 1 1 42 42 MET HA H 42 4.383 4.383 4.275 0.108 17613 11933 1 17 . 1 1 42 42 MET C C 42 179.185 179.185 178.866 0.319 17613 11934 1 17 . 1 1 42 42 MET CA C 42 57.054 57.054 56.660 0.394 17613 11935 1 17 . 1 1 42 42 MET CB C 42 31.254 31.254 31.116 0.138 17613 11936 1 17 . 1 1 42 42 MET H H 42 8.779 8.779 8.028 0.751 17613 11937 1 17 . 1 1 43 43 LYS N N 43 120.740 120.740 120.278 0.462 17613 11938 1 17 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.079 0.009 17613 11939 1 17 . 1 1 43 43 LYS C C 43 178.187 178.187 179.072 -0.885 17613 11940 1 17 . 1 1 43 43 LYS CA C 43 59.390 59.390 58.783 0.607 17613 11941 1 17 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.965 -0.003 17613 11942 1 17 . 1 1 43 43 LYS H H 43 7.499 7.499 7.531 -0.032 17613 11943 1 17 . 1 1 44 44 LYS N N 44 118.269 118.269 119.735 -1.466 17613 11944 1 17 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.258 -0.197 17613 11945 1 17 . 1 1 44 44 LYS C C 44 179.601 179.601 179.519 0.082 17613 11946 1 17 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.289 1.211 17613 11947 1 17 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.054 0.016 17613 11948 1 17 . 1 1 44 44 LYS H H 44 7.445 7.445 7.641 -0.196 17613 11949 1 17 . 1 1 45 45 LEU N N 45 117.785 117.785 118.361 -0.576 17613 11950 1 17 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.017 0.131 17613 11951 1 17 . 1 1 45 45 LEU C C 45 178.357 178.357 179.231 -0.874 17613 11952 1 17 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.975 -0.788 17613 11953 1 17 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.368 0.405 17613 11954 1 17 . 1 1 45 45 LEU H H 45 8.161 8.161 8.577 -0.416 17613 11955 1 17 . 1 1 46 46 ALA N N 46 118.538 118.538 121.044 -2.506 17613 11956 1 17 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.576 -0.324 17613 11957 1 17 . 1 1 46 46 ALA C C 46 178.893 178.893 178.735 0.158 17613 11958 1 17 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.860 -0.188 17613 11959 1 17 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.947 -0.065 17613 11960 1 17 . 1 1 46 46 ALA H H 46 7.637 7.637 7.634 0.003 17613 11961 1 17 . 1 1 47 47 GLU N N 47 115.492 115.492 117.309 -1.817 17613 11962 1 17 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.211 0.039 17613 11963 1 17 . 1 1 47 47 GLU C C 47 176.478 176.478 177.952 -1.474 17613 11964 1 17 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.944 -1.013 17613 11965 1 17 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.125 0.292 17613 11966 1 17 . 1 1 47 47 GLU H H 47 7.713 7.713 7.890 -0.177 17613 11967 1 17 . 1 1 48 48 GLU N N 48 120.573 120.573 120.812 -0.239 17613 11968 1 17 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.423 -0.050 17613 11969 1 17 . 1 1 48 48 GLU C C 48 173.624 173.624 175.327 -1.703 17613 11970 1 17 . 1 1 48 48 GLU CA C 48 56.021 56.021 54.676 1.345 17613 11971 1 17 . 1 1 48 48 GLU CB C 48 29.910 29.910 28.204 1.706 17613 11972 1 17 . 1 1 48 48 GLU H H 48 7.748 7.748 7.763 -0.015 17613 11973 1 17 . 1 1 49 49 LYS N N 49 124.420 124.420 123.096 1.324 17613 11974 1 17 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.089 0.229 17613 11975 1 17 . 1 1 49 49 LYS C C 49 176.843 176.843 175.830 1.013 17613 11976 1 17 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.257 0.260 17613 11977 1 17 . 1 1 49 49 LYS CB C 49 32.462 32.462 31.006 1.456 17613 11978 1 17 . 1 1 49 49 LYS H H 49 8.607 8.607 7.858 0.749 17613 11979 1 17 . 1 1 50 50 ASN N N 50 117.993 117.993 122.008 -4.015 17613 11980 1 17 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.703 -0.079 17613 11981 1 17 . 1 1 50 50 ASN C C 50 176.454 176.454 173.729 2.725 17613 11982 1 17 . 1 1 50 50 ASN CA C 50 53.555 53.555 52.935 0.620 17613 11983 1 17 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.917 -0.881 17613 11984 1 17 . 1 1 50 50 ASN H H 50 8.723 8.723 7.671 1.052 17613 11985 1 17 . 1 1 51 51 PHE N N 51 120.700 120.700 118.064 2.636 17613 11986 1 17 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.666 0.092 17613 11987 1 17 . 1 1 51 51 PHE CA C 51 57.935 57.935 57.831 0.104 17613 11988 1 17 . 1 1 51 51 PHE CB C 51 38.975 38.975 39.130 -0.155 17613 11989 1 17 . 1 1 51 51 PHE H H 51 8.341 8.341 8.761 -0.420 17613 11990 1 17 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.092 0.166 17613 11991 1 17 . 1 1 52 52 GLU C C 52 173.600 173.600 175.577 -1.977 17613 11992 1 17 . 1 1 52 52 GLU CA C 52 56.254 56.254 57.024 -0.770 17613 11993 1 17 . 1 1 52 52 GLU CB C 52 33.459 33.459 30.022 3.437 17613 11994 1 17 . 1 1 53 53 LYS N N 53 119.964 119.964 126.149 -6.185 17613 11995 1 17 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.553 0.136 17613 11996 1 17 . 1 1 53 53 LYS C C 53 174.430 174.430 175.051 -0.621 17613 11997 1 17 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.047 0.309 17613 11998 1 17 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.747 -0.302 17613 11999 1 17 . 1 1 53 53 LYS H H 53 7.962 7.962 8.323 -0.361 17613 12000 1 17 . 1 1 54 54 ILE N N 54 124.730 124.730 124.198 0.532 17613 12001 1 17 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.377 0.469 17613 12002 1 17 . 1 1 54 54 ILE C C 54 173.089 173.089 173.954 -0.865 17613 12003 1 17 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.895 0.369 17613 12004 1 17 . 1 1 54 54 ILE CB C 54 41.953 41.953 39.743 2.210 17613 12005 1 17 . 1 1 54 54 ILE H H 54 8.804 8.804 8.310 0.494 17613 12006 1 17 . 1 1 55 55 LEU N N 55 130.086 130.086 126.080 4.006 17613 12007 1 17 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.134 0.507 17613 12008 1 17 . 1 1 55 55 LEU C C 55 174.430 174.430 175.117 -0.687 17613 12009 1 17 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.614 -0.112 17613 12010 1 17 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.364 -0.162 17613 12011 1 17 . 1 1 55 55 LEU H H 55 9.103 9.103 8.329 0.774 17613 12012 1 17 . 1 1 56 56 ILE N N 56 125.983 125.983 125.857 0.126 17613 12013 1 17 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.700 0.357 17613 12014 1 17 . 1 1 56 56 ILE C C 56 174.089 174.089 174.836 -0.747 17613 12015 1 17 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.767 0.343 17613 12016 1 17 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.953 0.870 17613 12017 1 17 . 1 1 56 56 ILE H H 56 9.182 9.182 8.804 0.378 17613 12018 1 17 . 1 1 57 57 ILE N N 57 127.241 127.241 128.017 -0.776 17613 12019 1 17 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.097 -0.185 17613 12020 1 17 . 1 1 57 57 ILE C C 57 174.869 174.869 175.007 -0.138 17613 12021 1 17 . 1 1 57 57 ILE CA C 57 59.255 59.255 59.939 -0.684 17613 12022 1 17 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.722 -1.771 17613 12023 1 17 . 1 1 57 57 ILE H H 57 8.541 8.541 8.922 -0.381 17613 12024 1 17 . 1 1 58 58 SER N N 58 119.270 119.270 121.108 -1.838 17613 12025 1 17 . 1 1 58 58 SER HA H 58 5.007 5.007 5.317 -0.310 17613 12026 1 17 . 1 1 58 58 SER C C 58 174.211 174.211 174.502 -0.291 17613 12027 1 17 . 1 1 58 58 SER CA C 58 56.727 56.727 55.982 0.745 17613 12028 1 17 . 1 1 58 58 SER CB C 58 66.615 66.615 65.040 1.575 17613 12029 1 17 . 1 1 58 58 SER H H 58 8.810 8.810 8.069 0.741 17613 12030 1 17 . 1 1 59 59 ASN N N 59 122.382 122.382 125.219 -2.837 17613 12031 1 17 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.594 0.117 17613 12032 1 17 . 1 1 59 59 ASN C C 59 174.795 174.795 175.071 -0.276 17613 12033 1 17 . 1 1 59 59 ASN CA C 59 52.507 52.507 55.778 -3.271 17613 12034 1 17 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.138 -0.176 17613 12035 1 17 . 1 1 59 59 ASN H H 59 8.794 8.794 8.366 0.428 17613 12036 1 17 . 1 1 60 60 ASP N N 60 119.744 119.744 119.314 0.430 17613 12037 1 17 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.770 0.093 17613 12038 1 17 . 1 1 60 60 ASP C C 60 176.015 176.015 175.983 0.032 17613 12039 1 17 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.891 0.206 17613 12040 1 17 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.263 0.686 17613 12041 1 17 . 1 1 60 60 ASP H H 60 7.857 7.857 7.478 0.379 17613 12042 1 17 . 1 1 61 61 LYS N N 61 125.818 125.818 126.481 -0.663 17613 12043 1 17 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.130 -0.408 17613 12044 1 17 . 1 1 61 61 LYS C C 61 177.673 177.673 178.122 -0.449 17613 12045 1 17 . 1 1 61 61 LYS CA C 61 59.632 59.632 58.753 0.879 17613 12046 1 17 . 1 1 61 61 LYS CB C 61 31.518 31.518 31.895 -0.378 17613 12047 1 17 . 1 1 61 61 LYS H H 61 8.904 8.904 8.622 0.282 17613 12048 1 17 . 1 1 62 62 GLN N N 62 118.918 118.918 120.711 -1.793 17613 12049 1 17 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.149 -0.044 17613 12050 1 17 . 1 1 62 62 GLN C C 62 178.747 178.747 177.778 0.969 17613 12051 1 17 . 1 1 62 62 GLN CA C 62 58.301 58.301 59.178 -0.878 17613 12052 1 17 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.490 -1.042 17613 12053 1 17 . 1 1 62 62 GLN H H 62 8.434 8.434 8.388 0.046 17613 12054 1 17 . 1 1 63 63 LEU N N 63 120.071 120.071 120.084 -0.013 17613 12055 1 17 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.020 0.114 17613 12056 1 17 . 1 1 63 63 LEU C C 63 178.552 178.552 179.039 -0.487 17613 12057 1 17 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.477 -0.834 17613 12058 1 17 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.749 -0.855 17613 12059 1 17 . 1 1 63 63 LEU H H 63 7.671 7.671 8.106 -0.435 17613 12060 1 17 . 1 1 64 64 LEU N N 64 117.705 117.705 120.353 -2.648 17613 12061 1 17 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.945 -0.038 17613 12062 1 17 . 1 1 64 64 LEU C C 64 172.526 172.526 178.197 -5.671 17613 12063 1 17 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.471 -0.693 17613 12064 1 17 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.858 -0.507 17613 12065 1 17 . 1 1 64 64 LEU H H 64 7.626 7.626 7.827 -0.201 17613 12066 1 17 . 1 1 65 65 LYS N N 65 118.311 118.311 119.001 -0.690 17613 12067 1 17 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.889 -0.095 17613 12068 1 17 . 1 1 65 65 LYS C C 65 178.479 178.479 178.968 -0.489 17613 12069 1 17 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.024 0.202 17613 12070 1 17 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.158 0.108 17613 12071 1 17 . 1 1 65 65 LYS H H 65 8.038 8.038 7.762 0.276 17613 12072 1 17 . 1 1 66 66 GLU N N 66 119.362 119.362 119.051 0.311 17613 12073 1 17 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.136 -0.110 17613 12074 1 17 . 1 1 66 66 GLU C C 66 178.893 178.893 179.171 -0.278 17613 12075 1 17 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.969 0.150 17613 12076 1 17 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.209 0.053 17613 12077 1 17 . 1 1 66 66 GLU H H 66 7.803 7.803 7.946 -0.143 17613 12078 1 17 . 1 1 67 67 MET N N 67 118.398 118.398 119.954 -1.556 17613 12079 1 17 . 1 1 67 67 MET HA H 67 3.948 3.948 4.072 -0.124 17613 12080 1 17 . 1 1 67 67 MET C C 67 177.527 177.527 178.324 -0.797 17613 12081 1 17 . 1 1 67 67 MET CA C 67 59.963 59.963 59.392 0.571 17613 12082 1 17 . 1 1 67 67 MET CB C 67 33.443 33.443 32.644 0.799 17613 12083 1 17 . 1 1 67 67 MET H H 67 8.394 8.394 8.092 0.302 17613 12084 1 17 . 1 1 68 68 LEU N N 68 118.269 118.269 118.310 -0.041 17613 12085 1 17 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.785 -0.006 17613 12086 1 17 . 1 1 68 68 LEU C C 68 178.869 178.869 179.279 -0.410 17613 12087 1 17 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.422 0.519 17613 12088 1 17 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.256 -0.381 17613 12089 1 17 . 1 1 68 68 LEU H H 68 8.471 8.471 8.111 0.360 17613 12090 1 17 . 1 1 69 69 GLU N N 69 118.681 118.681 119.496 -0.815 17613 12091 1 17 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.052 0.003 17613 12092 1 17 . 1 1 69 69 GLU C C 69 179.063 179.063 179.142 -0.079 17613 12093 1 17 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.413 0.011 17613 12094 1 17 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.653 -0.513 17613 12095 1 17 . 1 1 69 69 GLU H H 69 7.627 7.627 7.940 -0.313 17613 12096 1 17 . 1 1 70 70 LEU N N 70 119.503 119.503 119.977 -0.474 17613 12097 1 17 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.062 0.099 17613 12098 1 17 . 1 1 70 70 LEU C C 70 179.699 179.699 179.123 0.576 17613 12099 1 17 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.461 0.313 17613 12100 1 17 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.044 -0.100 17613 12101 1 17 . 1 1 70 70 LEU H H 70 7.717 7.717 7.701 0.016 17613 12102 1 17 . 1 1 71 71 ILE N N 71 116.791 116.791 118.913 -2.122 17613 12103 1 17 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.548 0.189 17613 12104 1 17 . 1 1 71 71 ILE C C 71 178.357 178.357 177.529 0.828 17613 12105 1 17 . 1 1 71 71 ILE CA C 71 64.242 64.242 64.923 -0.681 17613 12106 1 17 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.568 0.333 17613 12107 1 17 . 1 1 71 71 ILE H H 71 8.598 8.598 8.408 0.190 17613 12108 1 17 . 1 1 72 72 SER N N 72 116.517 116.517 115.384 1.133 17613 12109 1 17 . 1 1 72 72 SER HA H 72 4.365 4.365 4.255 0.110 17613 12110 1 17 . 1 1 72 72 SER C C 72 176.845 176.845 175.899 0.946 17613 12111 1 17 . 1 1 72 72 SER CA C 72 61.365 61.365 60.815 0.550 17613 12112 1 17 . 1 1 72 72 SER CB C 72 62.780 62.780 63.096 -0.316 17613 12113 1 17 . 1 1 72 72 SER H H 72 8.023 8.023 7.954 0.069 17613 12114 1 17 . 1 1 73 73 LYS N N 73 120.731 120.731 119.636 1.095 17613 12115 1 17 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.141 0.150 17613 12116 1 17 . 1 1 73 73 LYS C C 73 177.771 177.771 177.419 0.352 17613 12117 1 17 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.127 -0.651 17613 12118 1 17 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.633 -0.487 17613 12119 1 17 . 1 1 73 73 LYS H H 73 7.723 7.723 7.447 0.276 17613 12120 1 17 . 1 1 74 74 LEU N N 74 117.572 117.572 117.182 0.390 17613 12121 1 17 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.106 0.121 17613 12122 1 17 . 1 1 74 74 LEU C C 74 177.332 177.332 177.478 -0.146 17613 12123 1 17 . 1 1 74 74 LEU CA C 74 55.199 55.199 54.735 0.464 17613 12124 1 17 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.104 -0.618 17613 12125 1 17 . 1 1 74 74 LEU H H 74 7.609 7.609 7.227 0.382 17613 12126 1 17 . 1 1 75 75 GLY N N 75 105.991 105.991 106.692 -0.701 17613 12127 1 17 . 1 1 75 75 GLY C C 75 174.771 174.771 174.814 -0.043 17613 12128 1 17 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.868 -0.026 17613 12129 1 17 . 1 1 75 75 GLY H H 75 7.925 7.925 7.710 0.215 17613 12130 1 17 . 1 1 76 76 TYR N N 76 118.452 118.452 118.192 0.260 17613 12131 1 17 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.288 0.490 17613 12132 1 17 . 1 1 76 76 TYR C C 76 175.234 175.234 175.537 -0.303 17613 12133 1 17 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.452 -0.948 17613 12134 1 17 . 1 1 76 76 TYR CB C 76 37.962 37.962 38.893 -0.931 17613 12135 1 17 . 1 1 76 76 TYR H H 76 7.366 7.366 7.294 0.072 17613 12136 1 17 . 1 1 77 77 LYS N N 77 122.866 122.866 123.218 -0.352 17613 12137 1 17 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.357 0.191 17613 12138 1 17 . 1 1 77 77 LYS C C 77 174.138 174.138 175.126 -0.988 17613 12139 1 17 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.785 -0.715 17613 12140 1 17 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.251 -0.034 17613 12141 1 17 . 1 1 77 77 LYS H H 77 8.290 8.290 8.319 -0.029 17613 12142 1 17 . 1 1 78 78 VAL N N 78 124.071 124.071 126.241 -2.170 17613 12143 1 17 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.920 0.246 17613 12144 1 17 . 1 1 78 78 VAL C C 78 174.162 174.162 174.526 -0.364 17613 12145 1 17 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.671 -0.442 17613 12146 1 17 . 1 1 78 78 VAL CB C 78 34.355 34.355 34.159 0.196 17613 12147 1 17 . 1 1 78 78 VAL H H 78 7.830 7.830 8.336 -0.506 17613 12148 1 17 . 1 1 79 79 PHE N N 79 126.174 126.174 124.754 1.420 17613 12149 1 17 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.537 0.030 17613 12150 1 17 . 1 1 79 79 PHE C C 79 173.357 173.357 174.185 -0.828 17613 12151 1 17 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.356 -0.403 17613 12152 1 17 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.229 -0.045 17613 12153 1 17 . 1 1 79 79 PHE H H 79 8.374 8.374 8.069 0.305 17613 12154 1 17 . 1 1 80 80 LEU N N 80 123.959 123.959 126.356 -2.397 17613 12155 1 17 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.290 0.256 17613 12156 1 17 . 1 1 80 80 LEU C C 80 173.503 173.503 174.709 -1.206 17613 12157 1 17 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.239 0.759 17613 12158 1 17 . 1 1 80 80 LEU CB C 80 45.667 45.667 44.769 0.898 17613 12159 1 17 . 1 1 80 80 LEU H H 80 8.601 8.601 8.408 0.193 17613 12160 1 17 . 1 1 81 81 LEU N N 81 126.694 126.694 129.346 -2.652 17613 12161 1 17 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.374 -0.105 17613 12162 1 17 . 1 1 81 81 LEU C C 81 173.649 173.649 174.610 -0.961 17613 12163 1 17 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.328 -0.264 17613 12164 1 17 . 1 1 81 81 LEU CB C 81 45.777 45.777 44.301 1.476 17613 12165 1 17 . 1 1 81 81 LEU H H 81 9.063 9.063 8.951 0.112 17613 12166 1 17 . 1 1 82 82 LEU N N 82 124.888 124.888 127.868 -2.980 17613 12167 1 17 . 1 1 82 82 LEU HA H 82 4.911 4.911 5.003 -0.092 17613 12168 1 17 . 1 1 82 82 LEU C C 82 174.479 174.479 175.231 -0.752 17613 12169 1 17 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.916 -0.781 17613 12170 1 17 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.934 0.288 17613 12171 1 17 . 1 1 82 82 LEU H H 82 8.864 8.864 9.012 -0.148 17613 12172 1 17 . 1 1 83 83 GLN N N 83 122.153 122.153 123.140 -0.987 17613 12173 1 17 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.277 -0.017 17613 12174 1 17 . 1 1 83 83 GLN C C 83 174.333 174.333 173.986 0.347 17613 12175 1 17 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.651 -0.066 17613 12176 1 17 . 1 1 83 83 GLN CB C 83 29.870 29.870 32.085 -2.215 17613 12177 1 17 . 1 1 83 83 GLN H H 83 8.437 8.437 8.913 -0.476 17613 12178 1 17 . 1 1 84 84 ASP N N 84 124.451 124.451 126.185 -1.734 17613 12179 1 17 . 1 1 84 84 ASP HA H 84 4.502 4.502 5.353 -0.851 17613 12180 1 17 . 1 1 84 84 ASP C C 84 174.308 174.308 175.451 -1.143 17613 12181 1 17 . 1 1 84 84 ASP CA C 84 54.015 54.015 52.876 1.139 17613 12182 1 17 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.069 -0.298 17613 12183 1 17 . 1 1 84 84 ASP H H 84 8.205 8.205 8.182 0.023 17613 12184 1 17 . 1 1 85 85 GLN N N 85 120.202 120.202 121.998 -1.796 17613 12185 1 17 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.077 0.257 17613 12186 1 17 . 1 1 85 85 GLN C C 85 175.431 175.431 176.679 -1.248 17613 12187 1 17 . 1 1 85 85 GLN CA C 85 56.595 56.595 58.487 -1.892 17613 12188 1 17 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.485 -0.151 17613 12189 1 17 . 1 1 85 85 GLN H H 85 8.617 8.617 8.462 0.155 17613 12190 1 17 . 1 1 86 86 ASP N N 86 120.508 120.508 121.065 -0.557 17613 12191 1 17 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.712 -0.027 17613 12192 1 17 . 1 1 86 86 ASP C C 86 175.747 175.747 176.385 -0.638 17613 12193 1 17 . 1 1 86 86 ASP CA C 86 53.512 53.512 54.207 -0.695 17613 12194 1 17 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.421 0.536 17613 12195 1 17 . 1 1 86 86 ASP H H 86 8.691 8.691 8.001 0.690 17613 12196 1 17 . 1 1 87 87 GLU N N 87 123.604 123.604 123.813 -0.209 17613 12197 1 17 . 1 1 87 87 GLU HA H 87 4.035 4.035 3.910 0.125 17613 12198 1 17 . 1 1 87 87 GLU C C 87 177.771 177.771 177.662 0.109 17613 12199 1 17 . 1 1 87 87 GLU CA C 87 58.522 58.522 60.149 -1.627 17613 12200 1 17 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.741 -0.165 17613 12201 1 17 . 1 1 87 87 GLU H H 87 8.642 8.642 8.185 0.457 17613 12202 1 17 . 1 1 88 88 ASN N N 88 118.838 118.838 116.880 1.958 17613 12203 1 17 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.422 0.139 17613 12204 1 17 . 1 1 88 88 ASN C C 88 177.089 177.089 177.266 -0.177 17613 12205 1 17 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.529 -0.887 17613 12206 1 17 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.717 0.450 17613 12207 1 17 . 1 1 88 88 ASN H H 88 8.527 8.527 8.791 -0.264 17613 12208 1 17 . 1 1 89 89 GLU N N 89 120.947 120.947 119.987 0.960 17613 12209 1 17 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.242 -0.095 17613 12210 1 17 . 1 1 89 89 GLU C C 89 178.357 178.357 178.836 -0.479 17613 12211 1 17 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.193 0.058 17613 12212 1 17 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.335 -0.091 17613 12213 1 17 . 1 1 89 89 GLU H H 89 8.221 8.221 7.860 0.361 17613 12214 1 17 . 1 1 90 90 LEU N N 90 119.582 119.582 122.759 -3.177 17613 12215 1 17 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.177 0.028 17613 12216 1 17 . 1 1 90 90 LEU C C 90 177.917 177.917 178.443 -0.526 17613 12217 1 17 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.000 -1.056 17613 12218 1 17 . 1 1 90 90 LEU CB C 90 42.456 42.456 42.002 0.454 17613 12219 1 17 . 1 1 90 90 LEU H H 90 8.047 8.047 8.251 -0.204 17613 12220 1 17 . 1 1 91 91 GLU N N 91 119.029 119.029 119.388 -0.359 17613 12221 1 17 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.075 -0.002 17613 12222 1 17 . 1 1 91 91 GLU C C 91 178.284 178.284 178.689 -0.405 17613 12223 1 17 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.627 -0.498 17613 12224 1 17 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.582 -0.612 17613 12225 1 17 . 1 1 91 91 GLU H H 91 7.940 7.940 8.135 -0.195 17613 12226 1 17 . 1 1 92 92 GLU N N 92 118.667 118.667 119.372 -0.705 17613 12227 1 17 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.056 -0.024 17613 12228 1 17 . 1 1 92 92 GLU C C 92 178.103 178.103 179.226 -1.123 17613 12229 1 17 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.411 -0.159 17613 12230 1 17 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.404 -0.472 17613 12231 1 17 . 1 1 92 92 GLU H H 92 8.088 8.088 7.902 0.186 17613 12232 1 17 . 1 1 93 93 PHE N N 93 120.118 120.118 119.308 0.810 17613 12233 1 17 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.352 -0.012 17613 12234 1 17 . 1 1 93 93 PHE C C 93 176.894 176.894 177.045 -0.151 17613 12235 1 17 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.622 0.823 17613 12236 1 17 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.522 -0.535 17613 12237 1 17 . 1 1 93 93 PHE H H 93 8.103 8.103 8.028 0.075 17613 12238 1 17 . 1 1 94 94 LYS N N 94 118.941 118.941 120.918 -1.977 17613 12239 1 17 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.768 -0.151 17613 12240 1 17 . 1 1 94 94 LYS C C 94 177.600 177.600 178.378 -0.778 17613 12241 1 17 . 1 1 94 94 LYS CA C 94 60.076 60.076 60.072 0.004 17613 12242 1 17 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.574 -0.109 17613 12243 1 17 . 1 1 94 94 LYS H H 94 8.606 8.606 8.069 0.537 17613 12244 1 17 . 1 1 95 95 ARG N N 95 117.194 117.194 117.002 0.192 17613 12245 1 17 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.139 0.011 17613 12246 1 17 . 1 1 95 95 ARG C C 95 179.404 179.404 178.962 0.442 17613 12247 1 17 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.737 0.366 17613 12248 1 17 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.701 0.118 17613 12249 1 17 . 1 1 95 95 ARG H H 95 8.159 8.159 8.132 0.027 17613 12250 1 17 . 1 1 96 96 LYS N N 96 119.582 119.582 119.892 -0.310 17613 12251 1 17 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.072 -0.007 17613 12252 1 17 . 1 1 96 96 LYS C C 96 179.034 179.034 178.914 0.120 17613 12253 1 17 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.104 -0.170 17613 12254 1 17 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.185 -0.116 17613 12255 1 17 . 1 1 96 96 LYS H H 96 7.786 7.786 7.568 0.218 17613 12256 1 17 . 1 1 97 97 ILE N N 97 118.550 118.550 118.867 -0.317 17613 12257 1 17 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.813 0.125 17613 12258 1 17 . 1 1 97 97 ILE C C 97 178.284 178.284 177.749 0.535 17613 12259 1 17 . 1 1 97 97 ILE CA C 97 62.569 62.569 64.052 -1.482 17613 12260 1 17 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.905 -0.699 17613 12261 1 17 . 1 1 97 97 ILE H H 97 7.831 7.831 7.502 0.329 17613 12262 1 17 . 1 1 98 98 GLU N N 98 121.984 121.984 120.333 1.651 17613 12263 1 17 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.394 -0.058 17613 12264 1 17 . 1 1 98 98 GLU C C 98 180.040 180.040 178.385 1.655 17613 12265 1 17 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.603 0.347 17613 12266 1 17 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.668 -0.233 17613 12267 1 17 . 1 1 98 98 GLU H H 98 8.670 8.670 8.273 0.397 17613 12268 1 17 . 1 1 99 99 SER N N 99 115.499 115.499 113.951 1.548 17613 12269 1 17 . 1 1 99 99 SER HA H 99 4.343 4.343 4.311 0.032 17613 12270 1 17 . 1 1 99 99 SER C C 99 174.820 174.820 176.142 -1.322 17613 12271 1 17 . 1 1 99 99 SER CA C 99 60.410 60.410 60.281 0.129 17613 12272 1 17 . 1 1 99 99 SER CB C 99 62.680 62.680 63.025 -0.345 17613 12273 1 17 . 1 1 99 99 SER H H 99 8.099 8.099 7.658 0.441 17613 12274 1 17 . 1 1 100 100 GLN N N 100 119.301 119.301 118.189 1.112 17613 12275 1 17 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.235 0.075 17613 12276 1 17 . 1 1 100 100 GLN C C 100 175.857 175.857 176.094 -0.237 17613 12277 1 17 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.574 0.352 17613 12278 1 17 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.177 0.035 17613 12279 1 17 . 1 1 100 100 GLN H H 100 7.623 7.623 7.586 0.037 17613 12280 1 17 . 1 1 101 101 GLY N N 101 105.765 105.765 106.990 -1.225 17613 12281 1 17 . 1 1 101 101 GLY C C 101 173.748 173.748 173.123 0.625 17613 12282 1 17 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.720 0.483 17613 12283 1 17 . 1 1 101 101 GLY H H 101 7.945 7.945 7.427 0.518 17613 12284 1 17 . 1 1 102 102 TYR N N 102 117.993 117.993 117.448 0.545 17613 12285 1 17 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.724 -0.052 17613 12286 1 17 . 1 1 102 102 TYR C C 102 174.747 174.747 174.920 -0.173 17613 12287 1 17 . 1 1 102 102 TYR CA C 102 56.254 56.254 55.783 0.471 17613 12288 1 17 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.499 -1.451 17613 12289 1 17 . 1 1 102 102 TYR H H 102 6.890 6.890 7.314 -0.424 17613 12290 1 17 . 1 1 103 103 GLU N N 103 122.864 122.864 123.817 -0.953 17613 12291 1 17 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.469 0.038 17613 12292 1 17 . 1 1 103 103 GLU C C 103 174.162 174.162 175.527 -1.365 17613 12293 1 17 . 1 1 103 103 GLU CA C 103 56.384 56.384 56.838 -0.454 17613 12294 1 17 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.861 1.510 17613 12295 1 17 . 1 1 103 103 GLU H H 103 8.318 8.318 9.007 -0.689 17613 12296 1 17 . 1 1 104 104 VAL N N 104 124.342 124.342 124.919 -0.577 17613 12297 1 17 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.920 0.308 17613 12298 1 17 . 1 1 104 104 VAL C C 104 174.235 174.235 175.964 -1.729 17613 12299 1 17 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.351 -2.071 17613 12300 1 17 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.568 1.599 17613 12301 1 17 . 1 1 104 104 VAL H H 104 8.651 8.651 7.897 0.754 17613 12302 1 17 . 1 1 105 105 ARG N N 105 124.856 124.856 127.885 -3.029 17613 12303 1 17 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.807 0.108 17613 12304 1 17 . 1 1 105 105 ARG C C 105 173.917 173.917 175.471 -1.554 17613 12305 1 17 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.020 -0.555 17613 12306 1 17 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.095 -0.140 17613 12307 1 17 . 1 1 105 105 ARG H H 105 8.705 8.705 9.065 -0.360 17613 12308 1 17 . 1 1 106 106 LYS N N 106 121.499 121.499 121.755 -0.256 17613 12309 1 17 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.510 0.068 17613 12310 1 17 . 1 1 106 106 LYS C C 106 174.820 174.820 176.031 -1.211 17613 12311 1 17 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.244 -1.376 17613 12312 1 17 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.587 0.712 17613 12313 1 17 . 1 1 106 106 LYS H H 106 8.807 8.807 8.501 0.306 17613 12314 1 17 . 1 1 107 107 VAL N N 107 118.792 118.792 119.539 -0.747 17613 12315 1 17 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.519 0.096 17613 12316 1 17 . 1 1 107 107 VAL C C 107 173.332 173.332 174.310 -0.978 17613 12317 1 17 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.355 -0.133 17613 12318 1 17 . 1 1 107 107 VAL CB C 107 35.234 35.234 34.393 0.841 17613 12319 1 17 . 1 1 107 107 VAL H H 107 8.555 8.555 8.253 0.302 17613 12320 1 17 . 1 1 108 108 THR N N 108 114.072 114.072 115.006 -0.934 17613 12321 1 17 . 1 1 108 108 THR HA H 108 4.781 4.781 4.476 0.305 17613 12322 1 17 . 1 1 108 108 THR C C 108 174.625 174.625 174.218 0.407 17613 12323 1 17 . 1 1 108 108 THR CA C 108 62.221 62.221 61.376 0.845 17613 12324 1 17 . 1 1 108 108 THR CB C 108 69.975 69.975 70.238 -0.263 17613 12325 1 17 . 1 1 108 108 THR H H 108 8.604 8.604 8.624 -0.020 17613 12326 1 17 . 1 1 109 109 ASP N N 109 122.574 122.574 123.634 -1.060 17613 12327 1 17 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.834 -0.096 17613 12328 1 17 . 1 1 109 109 ASP C C 109 175.796 175.796 176.577 -0.781 17613 12329 1 17 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.524 -0.675 17613 12330 1 17 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.652 1.036 17613 12331 1 17 . 1 1 109 109 ASP H H 109 8.036 8.036 7.844 0.192 17613 12332 1 17 . 1 1 110 110 ASP N N 110 122.852 122.852 122.376 0.476 17613 12333 1 17 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.279 -0.184 17613 12334 1 17 . 1 1 110 110 ASP C C 110 177.527 177.527 178.177 -0.650 17613 12335 1 17 . 1 1 110 110 ASP CA C 110 57.388 57.388 58.618 -1.230 17613 12336 1 17 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.745 -0.444 17613 12337 1 17 . 1 1 110 110 ASP H H 110 8.696 8.696 8.778 -0.082 17613 12338 1 17 . 1 1 111 111 GLU N N 111 119.144 119.144 118.900 0.244 17613 12339 1 17 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.103 -0.115 17613 12340 1 17 . 1 1 111 111 GLU C C 111 179.942 179.942 178.942 1.000 17613 12341 1 17 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.070 0.287 17613 12342 1 17 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.402 -0.906 17613 12343 1 17 . 1 1 111 111 GLU H H 111 8.213 8.213 8.568 -0.355 17613 12344 1 17 . 1 1 112 112 GLU N N 112 121.400 121.400 119.904 1.496 17613 12345 1 17 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.069 -0.072 17613 12346 1 17 . 1 1 112 112 GLU C C 112 178.430 178.430 178.181 0.249 17613 12347 1 17 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.845 -0.096 17613 12348 1 17 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.331 -0.137 17613 12349 1 17 . 1 1 112 112 GLU H H 112 8.234 8.234 8.464 -0.230 17613 12350 1 17 . 1 1 113 113 ALA N N 113 120.316 120.316 122.578 -2.262 17613 12351 1 17 . 1 1 113 113 ALA HA H 113 3.800 3.800 3.951 -0.151 17613 12352 1 17 . 1 1 113 113 ALA C C 113 178.430 178.430 179.552 -1.122 17613 12353 1 17 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.393 -0.011 17613 12354 1 17 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.385 0.217 17613 12355 1 17 . 1 1 113 113 ALA H H 113 8.118 8.118 7.722 0.396 17613 12356 1 17 . 1 1 114 114 LEU N N 114 116.901 116.901 117.471 -0.570 17613 12357 1 17 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.838 -0.125 17613 12358 1 17 . 1 1 114 114 LEU C C 114 178.431 178.431 179.271 -0.840 17613 12359 1 17 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.485 0.190 17613 12360 1 17 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.310 -0.374 17613 12361 1 17 . 1 1 114 114 LEU H H 114 7.743 7.743 7.602 0.141 17613 12362 1 17 . 1 1 115 115 LYS N N 115 119.066 119.066 119.450 -0.384 17613 12363 1 17 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.926 -0.126 17613 12364 1 17 . 1 1 115 115 LYS C C 115 179.404 179.404 179.061 0.343 17613 12365 1 17 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.724 0.159 17613 12366 1 17 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.261 -0.083 17613 12367 1 17 . 1 1 115 115 LYS H H 115 7.617 7.617 7.656 -0.039 17613 12368 1 17 . 1 1 116 116 ILE N N 116 120.613 120.613 118.996 1.617 17613 12369 1 17 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.662 -0.202 17613 12370 1 17 . 1 1 116 116 ILE C C 116 177.016 177.016 177.965 -0.949 17613 12371 1 17 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.813 1.309 17613 12372 1 17 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.418 -0.095 17613 12373 1 17 . 1 1 116 116 ILE H H 116 8.004 8.004 8.005 -0.001 17613 12374 1 17 . 1 1 117 117 VAL N N 117 120.234 120.234 121.361 -1.127 17613 12375 1 17 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.628 -0.368 17613 12376 1 17 . 1 1 117 117 VAL C C 117 177.746 177.746 177.847 -0.101 17613 12377 1 17 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.488 0.017 17613 12378 1 17 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.182 -0.429 17613 12379 1 17 . 1 1 117 117 VAL H H 117 8.121 8.121 8.039 0.082 17613 12380 1 17 . 1 1 118 118 ARG N N 118 118.415 118.415 118.619 -0.204 17613 12381 1 17 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.915 -0.022 17613 12382 1 17 . 1 1 118 118 ARG C C 118 178.966 178.966 178.831 0.135 17613 12383 1 17 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.734 0.435 17613 12384 1 17 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.894 -0.192 17613 12385 1 17 . 1 1 118 118 ARG H H 118 8.026 8.026 7.665 0.361 17613 12386 1 17 . 1 1 119 119 GLU N N 119 122.419 122.419 120.140 2.279 17613 12387 1 17 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.033 -0.006 17613 12388 1 17 . 1 1 119 119 GLU C C 119 179.429 179.429 178.939 0.490 17613 12389 1 17 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.114 0.416 17613 12390 1 17 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.052 -0.090 17613 12391 1 17 . 1 1 119 119 GLU H H 119 7.918 7.918 7.889 0.029 17613 12392 1 17 . 1 1 120 120 PHE N N 120 119.597 119.597 119.517 0.080 17613 12393 1 17 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.928 0.094 17613 12394 1 17 . 1 1 120 120 PHE C C 120 177.698 177.698 178.095 -0.397 17613 12395 1 17 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.161 -3.293 17613 12396 1 17 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.122 -1.369 17613 12397 1 17 . 1 1 120 120 PHE H H 120 8.826 8.826 8.074 0.752 17613 12398 1 17 . 1 1 121 121 MET N N 121 116.596 116.596 117.978 -1.382 17613 12399 1 17 . 1 1 121 121 MET HA H 121 3.931 3.931 4.270 -0.339 17613 12400 1 17 . 1 1 121 121 MET C C 121 179.577 179.577 178.928 0.649 17613 12401 1 17 . 1 1 121 121 MET CA C 121 59.785 59.785 58.491 1.294 17613 12402 1 17 . 1 1 121 121 MET CB C 121 33.643 33.643 32.467 1.176 17613 12403 1 17 . 1 1 121 121 MET H H 121 8.317 8.317 8.415 -0.098 17613 12404 1 17 . 1 1 122 122 GLN N N 122 120.565 120.565 120.654 -0.089 17613 12405 1 17 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.983 0.152 17613 12406 1 17 . 1 1 122 122 GLN C C 122 178.893 178.893 178.021 0.872 17613 12407 1 17 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.330 -0.585 17613 12408 1 17 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.694 -0.674 17613 12409 1 17 . 1 1 122 122 GLN H H 122 8.054 8.054 8.185 -0.131 17613 12410 1 17 . 1 1 123 123 LYS N N 123 121.605 121.605 119.703 1.902 17613 12411 1 17 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.064 -0.039 17613 12412 1 17 . 1 1 123 123 LYS C C 123 179.307 179.307 179.026 0.281 17613 12413 1 17 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.133 0.111 17613 12414 1 17 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.275 0.031 17613 12415 1 17 . 1 1 123 123 LYS H H 123 8.400 8.400 7.984 0.416 17613 12416 1 17 . 1 1 124 124 ALA N N 124 121.873 121.873 120.811 1.062 17613 12417 1 17 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.363 -0.219 17613 12418 1 17 . 1 1 124 124 ALA C C 124 179.112 179.112 179.886 -0.774 17613 12419 1 17 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.824 -0.172 17613 12420 1 17 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.274 0.660 17613 12421 1 17 . 1 1 124 124 ALA H H 124 8.601 8.601 8.055 0.546 17613 12422 1 17 . 1 1 125 125 GLY N N 125 104.755 104.755 105.517 -0.762 17613 12423 1 17 . 1 1 125 125 GLY C C 125 175.553 175.553 175.585 -0.032 17613 12424 1 17 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.565 -0.274 17613 12425 1 17 . 1 1 125 125 GLY H H 125 7.949 7.949 7.933 0.016 17613 12426 1 17 . 1 1 126 126 SER N N 126 116.080 116.080 115.691 0.389 17613 12427 1 17 . 1 1 126 126 SER HA H 126 4.447 4.447 4.516 -0.069 17613 12428 1 17 . 1 1 126 126 SER C C 126 175.504 175.504 177.061 -1.557 17613 12429 1 17 . 1 1 126 126 SER CA C 126 59.965 59.965 60.487 -0.522 17613 12430 1 17 . 1 1 126 126 SER CB C 126 63.460 63.460 63.502 -0.042 17613 12431 1 17 . 1 1 126 126 SER H H 126 7.861 7.861 7.642 0.219 17613 12432 1 17 . 1 1 127 127 LEU N N 127 122.372 122.372 122.106 0.266 17613 12433 1 17 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.520 -0.238 17613 12434 1 17 . 1 1 127 127 LEU C C 127 177.990 177.990 178.089 -0.099 17613 12435 1 17 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.486 -0.269 17613 12436 1 17 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.437 -0.364 17613 12437 1 17 . 1 1 127 127 LEU H H 127 7.882 7.882 7.908 -0.026 17613 12438 1 17 . 1 1 128 128 GLU N N 128 119.775 119.775 117.139 2.636 17613 12439 1 17 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.144 -0.236 17613 12440 1 17 . 1 1 128 128 GLU CA C 128 57.611 57.611 56.956 0.655 17613 12441 1 17 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.780 0.050 17613 12442 1 17 . 1 1 128 128 GLU H H 128 8.084 8.084 7.778 0.306 17613 12443 1 17 . 1 1 131 131 HIS N N 131 125.272 125.272 117.561 7.711 17613 12444 1 17 . 1 1 131 131 HIS H H 131 8.059 8.059 7.730 0.329 17613 12445 1 18 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.644 0.182 17613 12446 1 18 . 1 1 3 3 ILE C C 3 173.405 173.405 174.883 -1.478 17613 12447 1 18 . 1 1 3 3 ILE CA C 3 59.556 59.556 59.018 0.538 17613 12448 1 18 . 1 1 3 3 ILE CB C 3 40.508 40.508 36.862 3.646 17613 12449 1 18 . 1 1 3 3 ILE H H 3 8.444 8.444 8.146 0.298 17613 12450 1 18 . 1 1 4 4 LEU N N 4 127.785 127.785 129.090 -1.305 17613 12451 1 18 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.355 0.104 17613 12452 1 18 . 1 1 4 4 LEU C C 4 174.832 174.832 176.514 -1.682 17613 12453 1 18 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.265 0.076 17613 12454 1 18 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.389 1.924 17613 12455 1 18 . 1 1 4 4 LEU H H 4 9.081 9.081 8.735 0.346 17613 12456 1 18 . 1 1 5 5 ILE N N 5 123.010 123.010 125.039 -2.029 17613 12457 1 18 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.522 0.311 17613 12458 1 18 . 1 1 5 5 ILE C C 5 173.357 173.357 175.059 -1.702 17613 12459 1 18 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.205 1.339 17613 12460 1 18 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.301 3.231 17613 12461 1 18 . 1 1 5 5 ILE H H 5 8.765 8.765 8.595 0.170 17613 12462 1 18 . 1 1 6 6 LEU N N 6 129.320 129.320 130.332 -1.012 17613 12463 1 18 . 1 1 6 6 LEU HA H 6 5.346 5.346 4.988 0.358 17613 12464 1 18 . 1 1 6 6 LEU C C 6 174.795 174.795 175.224 -0.429 17613 12465 1 18 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.584 -0.584 17613 12466 1 18 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.208 1.320 17613 12467 1 18 . 1 1 6 6 LEU H H 6 9.235 9.235 8.343 0.892 17613 12468 1 18 . 1 1 7 7 ILE N N 7 120.746 120.746 125.007 -4.261 17613 12469 1 18 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.803 0.378 17613 12470 1 18 . 1 1 7 7 ILE C C 7 173.819 173.819 173.756 0.063 17613 12471 1 18 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.283 -2.068 17613 12472 1 18 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.926 -1.772 17613 12473 1 18 . 1 1 7 7 ILE H H 7 8.931 8.931 9.065 -0.134 17613 12474 1 18 . 1 1 8 8 ASN N N 8 125.539 125.539 125.115 0.424 17613 12475 1 18 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.450 0.452 17613 12476 1 18 . 1 1 8 8 ASN C C 8 176.478 176.478 173.594 2.884 17613 12477 1 18 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.014 -0.910 17613 12478 1 18 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.687 0.895 17613 12479 1 18 . 1 1 8 8 ASN H H 8 8.634 8.634 8.800 -0.166 17613 12480 1 18 . 1 1 9 9 THR N N 9 118.493 118.493 119.390 -0.897 17613 12481 1 18 . 1 1 9 9 THR HA H 9 4.739 4.739 4.774 -0.035 17613 12482 1 18 . 1 1 9 9 THR C C 9 170.114 170.114 174.677 -4.563 17613 12483 1 18 . 1 1 9 9 THR CA C 9 60.689 60.689 60.531 0.158 17613 12484 1 18 . 1 1 9 9 THR CB C 9 67.766 67.766 71.022 -3.256 17613 12485 1 18 . 1 1 9 9 THR H H 9 8.044 8.044 8.122 -0.078 17613 12486 1 18 . 1 1 10 10 ASN N N 10 123.266 123.266 127.010 -3.744 17613 12487 1 18 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.602 0.365 17613 12488 1 18 . 1 1 10 10 ASN C C 10 174.601 174.601 175.003 -0.402 17613 12489 1 18 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.115 -2.271 17613 12490 1 18 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.019 0.297 17613 12491 1 18 . 1 1 10 10 ASN H H 10 8.440 8.440 8.934 -0.494 17613 12492 1 18 . 1 1 11 11 ASN N N 11 120.920 120.920 118.250 2.670 17613 12493 1 18 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.745 -0.052 17613 12494 1 18 . 1 1 11 11 ASN C C 11 174.333 174.333 175.467 -1.134 17613 12495 1 18 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.515 -0.079 17613 12496 1 18 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.790 -1.441 17613 12497 1 18 . 1 1 11 11 ASN H H 11 8.366 8.366 7.434 0.932 17613 12498 1 18 . 1 1 12 12 ASP N N 12 126.315 126.315 127.239 -0.924 17613 12499 1 18 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.317 -0.044 17613 12500 1 18 . 1 1 12 12 ASP C C 12 178.089 178.089 177.393 0.696 17613 12501 1 18 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.055 0.553 17613 12502 1 18 . 1 1 12 12 ASP CB C 12 41.161 41.161 41.233 -0.071 17613 12503 1 18 . 1 1 12 12 ASP H H 12 8.586 8.586 8.988 -0.402 17613 12504 1 18 . 1 1 13 13 GLU N N 13 119.325 119.325 119.524 -0.199 17613 12505 1 18 . 1 1 13 13 GLU HA H 13 4.026 4.026 3.998 0.028 17613 12506 1 18 . 1 1 13 13 GLU C C 13 178.893 178.893 179.029 -0.136 17613 12507 1 18 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.095 -0.089 17613 12508 1 18 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.575 -0.865 17613 12509 1 18 . 1 1 13 13 GLU H H 13 8.289 8.289 7.828 0.461 17613 12510 1 18 . 1 1 14 14 LEU N N 14 121.683 121.683 119.082 2.601 17613 12511 1 18 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.130 -0.145 17613 12512 1 18 . 1 1 14 14 LEU C C 14 178.309 178.309 179.002 -0.693 17613 12513 1 18 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.758 0.503 17613 12514 1 18 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.940 -0.835 17613 12515 1 18 . 1 1 14 14 LEU H H 14 7.577 7.577 7.517 0.060 17613 12516 1 18 . 1 1 15 15 ILE N N 15 119.483 119.483 119.981 -0.498 17613 12517 1 18 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.509 -0.290 17613 12518 1 18 . 1 1 15 15 ILE C C 15 177.138 177.138 177.856 -0.718 17613 12519 1 18 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.842 0.748 17613 12520 1 18 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.502 -0.078 17613 12521 1 18 . 1 1 15 15 ILE H H 15 8.238 8.238 7.548 0.690 17613 12522 1 18 . 1 1 16 16 LYS N N 16 117.596 117.596 118.411 -0.815 17613 12523 1 18 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.072 -0.229 17613 12524 1 18 . 1 1 16 16 LYS C C 16 179.577 179.577 179.007 0.570 17613 12525 1 18 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.151 1.018 17613 12526 1 18 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.066 0.098 17613 12527 1 18 . 1 1 16 16 LYS H H 16 7.604 7.604 7.703 -0.099 17613 12528 1 18 . 1 1 17 17 LYS N N 17 118.832 118.832 120.454 -1.622 17613 12529 1 18 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.063 -0.071 17613 12530 1 18 . 1 1 17 17 LYS C C 17 179.380 179.380 178.926 0.454 17613 12531 1 18 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.672 0.168 17613 12532 1 18 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.468 0.597 17613 12533 1 18 . 1 1 17 17 LYS H H 17 7.583 7.583 7.677 -0.094 17613 12534 1 18 . 1 1 18 18 ILE N N 18 120.961 120.961 120.127 0.834 17613 12535 1 18 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.606 -0.234 17613 12536 1 18 . 1 1 18 18 ILE C C 18 176.967 176.967 177.760 -0.793 17613 12537 1 18 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.133 0.341 17613 12538 1 18 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.655 -0.099 17613 12539 1 18 . 1 1 18 18 ILE H H 18 8.785 8.785 8.172 0.613 17613 12540 1 18 . 1 1 19 19 LYS N N 19 118.324 118.324 118.865 -0.541 17613 12541 1 18 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.882 -0.202 17613 12542 1 18 . 1 1 19 19 LYS C C 19 177.746 177.746 178.974 -1.228 17613 12543 1 18 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.965 0.888 17613 12544 1 18 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.155 0.171 17613 12545 1 18 . 1 1 19 19 LYS H H 19 8.532 8.532 7.836 0.696 17613 12546 1 18 . 1 1 20 20 LYS N N 20 116.284 116.284 118.467 -2.183 17613 12547 1 18 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.158 -0.071 17613 12548 1 18 . 1 1 20 20 LYS C C 20 178.406 178.406 179.108 -0.702 17613 12549 1 18 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.340 0.200 17613 12550 1 18 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.991 -0.010 17613 12551 1 18 . 1 1 20 20 LYS H H 20 7.303 7.303 7.397 -0.094 17613 12552 1 18 . 1 1 21 21 GLU N N 21 118.488 118.488 119.085 -0.597 17613 12553 1 18 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.049 -0.086 17613 12554 1 18 . 1 1 21 21 GLU C C 21 179.088 179.088 178.884 0.204 17613 12555 1 18 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.311 -0.417 17613 12556 1 18 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.591 -0.157 17613 12557 1 18 . 1 1 21 21 GLU H H 21 7.665 7.665 7.979 -0.314 17613 12558 1 18 . 1 1 22 22 VAL N N 22 109.032 109.032 111.839 -2.807 17613 12559 1 18 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.408 -0.276 17613 12560 1 18 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.466 -0.667 17613 12561 1 18 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.730 -2.901 17613 12562 1 18 . 1 1 22 22 VAL H H 22 8.037 8.037 7.736 0.301 17613 12563 1 18 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.549 0.168 17613 12564 1 18 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.621 3.187 17613 12565 1 18 . 1 1 24 24 ASN CB C 24 38.171 38.171 37.982 0.189 17613 12566 1 18 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.558 0.088 17613 12567 1 18 . 1 1 25 25 GLN C C 25 175.692 175.692 176.376 -0.684 17613 12568 1 18 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.199 0.819 17613 12569 1 18 . 1 1 26 26 GLY N N 26 106.368 106.368 107.221 -0.853 17613 12570 1 18 . 1 1 26 26 GLY C C 26 174.382 174.382 174.335 0.047 17613 12571 1 18 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.834 0.123 17613 12572 1 18 . 1 1 26 26 GLY H H 26 8.020 8.020 7.697 0.323 17613 12573 1 18 . 1 1 27 27 TYR N N 27 119.082 119.082 120.345 -1.263 17613 12574 1 18 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.758 -0.325 17613 12575 1 18 . 1 1 27 27 TYR C C 27 174.528 174.528 175.700 -1.172 17613 12576 1 18 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.808 0.246 17613 12577 1 18 . 1 1 27 27 TYR CB C 27 39.005 39.005 37.980 1.025 17613 12578 1 18 . 1 1 27 27 TYR H H 27 7.845 7.845 8.122 -0.277 17613 12579 1 18 . 1 1 28 28 GLN N N 28 120.362 120.362 124.567 -4.205 17613 12580 1 18 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.279 0.220 17613 12581 1 18 . 1 1 28 28 GLN C C 28 174.625 174.625 175.623 -0.998 17613 12582 1 18 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.608 -1.228 17613 12583 1 18 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.331 2.124 17613 12584 1 18 . 1 1 28 28 GLN H H 28 8.338 8.338 8.267 0.071 17613 12585 1 18 . 1 1 29 29 VAL N N 29 123.482 123.482 125.849 -2.367 17613 12586 1 18 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.479 0.564 17613 12587 1 18 . 1 1 29 29 VAL C C 29 175.820 175.820 176.021 -0.201 17613 12588 1 18 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.257 -0.769 17613 12589 1 18 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.321 0.152 17613 12590 1 18 . 1 1 29 29 VAL H H 29 8.776 8.776 8.314 0.462 17613 12591 1 18 . 1 1 30 30 ARG N N 30 127.787 127.787 128.334 -0.547 17613 12592 1 18 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.702 0.038 17613 12593 1 18 . 1 1 30 30 ARG C C 30 173.332 173.332 174.517 -1.185 17613 12594 1 18 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.031 0.757 17613 12595 1 18 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.149 1.242 17613 12596 1 18 . 1 1 30 30 ARG H H 30 9.135 9.135 8.804 0.331 17613 12597 1 18 . 1 1 31 31 ASP N N 31 121.895 121.895 122.641 -0.746 17613 12598 1 18 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.424 -0.214 17613 12599 1 18 . 1 1 31 31 ASP C C 31 175.282 175.282 175.353 -0.071 17613 12600 1 18 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.562 0.808 17613 12601 1 18 . 1 1 31 31 ASP CB C 31 42.722 42.722 42.623 0.099 17613 12602 1 18 . 1 1 31 31 ASP H H 31 8.377 8.377 8.543 -0.166 17613 12603 1 18 . 1 1 32 32 VAL N N 32 120.426 120.426 121.953 -1.527 17613 12604 1 18 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.278 -0.030 17613 12605 1 18 . 1 1 32 32 VAL C C 32 174.114 174.114 174.835 -0.721 17613 12606 1 18 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.644 -0.087 17613 12607 1 18 . 1 1 32 32 VAL CB C 32 33.884 33.884 35.210 -1.326 17613 12608 1 18 . 1 1 32 32 VAL H H 32 8.441 8.441 8.734 -0.293 17613 12609 1 18 . 1 1 33 33 ASN N N 33 122.700 122.700 123.087 -0.387 17613 12610 1 18 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.909 0.068 17613 12611 1 18 . 1 1 33 33 ASN C C 33 174.235 174.235 173.793 0.442 17613 12612 1 18 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.196 0.201 17613 12613 1 18 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.106 0.763 17613 12614 1 18 . 1 1 33 33 ASN H H 33 9.550 9.550 8.859 0.691 17613 12615 1 18 . 1 1 34 34 ASP N N 34 114.885 114.885 119.094 -4.209 17613 12616 1 18 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.852 -0.149 17613 12617 1 18 . 1 1 34 34 ASP C C 34 175.626 175.626 176.610 -0.984 17613 12618 1 18 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.571 0.912 17613 12619 1 18 . 1 1 34 34 ASP CB C 34 42.396 42.396 42.801 -0.405 17613 12620 1 18 . 1 1 34 34 ASP H H 34 7.616 7.616 8.003 -0.387 17613 12621 1 18 . 1 1 35 35 SER N N 35 114.381 114.381 119.387 -5.006 17613 12622 1 18 . 1 1 35 35 SER HA H 35 4.046 4.046 4.129 -0.083 17613 12623 1 18 . 1 1 35 35 SER C C 35 175.991 175.991 176.231 -0.240 17613 12624 1 18 . 1 1 35 35 SER CA C 35 61.446 61.446 61.650 -0.204 17613 12625 1 18 . 1 1 35 35 SER CB C 35 62.764 62.764 63.368 -0.605 17613 12626 1 18 . 1 1 35 35 SER H H 35 8.869 8.869 8.745 0.124 17613 12627 1 18 . 1 1 36 36 ASP N N 36 124.695 124.695 122.233 2.462 17613 12628 1 18 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.522 -0.003 17613 12629 1 18 . 1 1 36 36 ASP C C 36 179.136 179.136 178.543 0.593 17613 12630 1 18 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.231 0.437 17613 12631 1 18 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.662 -0.378 17613 12632 1 18 . 1 1 36 36 ASP H H 36 8.388 8.388 8.174 0.214 17613 12633 1 18 . 1 1 37 37 GLU N N 37 122.449 122.449 119.841 2.608 17613 12634 1 18 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.116 -0.057 17613 12635 1 18 . 1 1 37 37 GLU C C 37 178.698 178.698 178.807 -0.109 17613 12636 1 18 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.486 0.723 17613 12637 1 18 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.286 0.435 17613 12638 1 18 . 1 1 37 37 GLU H H 37 9.009 9.009 7.785 1.224 17613 12639 1 18 . 1 1 38 38 LEU N N 38 119.580 119.580 121.872 -2.292 17613 12640 1 18 . 1 1 38 38 LEU HA H 38 3.911 3.911 4.012 -0.101 17613 12641 1 18 . 1 1 38 38 LEU C C 38 177.649 177.649 178.510 -0.861 17613 12642 1 18 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.473 0.660 17613 12643 1 18 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.961 -0.891 17613 12644 1 18 . 1 1 38 38 LEU H H 38 8.203 8.203 8.054 0.149 17613 12645 1 18 . 1 1 39 39 LYS N N 39 118.404 118.404 118.837 -0.433 17613 12646 1 18 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.958 -0.117 17613 12647 1 18 . 1 1 39 39 LYS C C 39 179.577 179.577 179.130 0.447 17613 12648 1 18 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.777 0.089 17613 12649 1 18 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.152 -0.104 17613 12650 1 18 . 1 1 39 39 LYS H H 39 7.829 7.829 7.750 0.079 17613 12651 1 18 . 1 1 40 40 LYS N N 40 119.271 119.271 119.303 -0.032 17613 12652 1 18 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.040 -0.018 17613 12653 1 18 . 1 1 40 40 LYS C C 40 179.577 179.577 179.159 0.418 17613 12654 1 18 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.883 0.707 17613 12655 1 18 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.851 0.549 17613 12656 1 18 . 1 1 40 40 LYS H H 40 7.779 7.779 7.897 -0.118 17613 12657 1 18 . 1 1 41 41 GLU N N 41 119.647 119.647 119.043 0.604 17613 12658 1 18 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.132 0.131 17613 12659 1 18 . 1 1 41 41 GLU C C 41 179.504 179.504 179.103 0.401 17613 12660 1 18 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.649 -0.575 17613 12661 1 18 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.249 -1.003 17613 12662 1 18 . 1 1 41 41 GLU H H 41 8.721 8.721 7.958 0.763 17613 12663 1 18 . 1 1 42 42 MET N N 42 118.114 118.114 118.921 -0.807 17613 12664 1 18 . 1 1 42 42 MET HA H 42 4.383 4.383 4.264 0.119 17613 12665 1 18 . 1 1 42 42 MET C C 42 179.185 179.185 178.622 0.563 17613 12666 1 18 . 1 1 42 42 MET CA C 42 57.054 57.054 57.307 -0.253 17613 12667 1 18 . 1 1 42 42 MET CB C 42 31.254 31.254 31.778 -0.524 17613 12668 1 18 . 1 1 42 42 MET H H 42 8.779 8.779 7.954 0.825 17613 12669 1 18 . 1 1 43 43 LYS N N 43 120.740 120.740 119.640 1.100 17613 12670 1 18 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.025 0.063 17613 12671 1 18 . 1 1 43 43 LYS C C 43 178.187 178.187 179.171 -0.984 17613 12672 1 18 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.174 0.216 17613 12673 1 18 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.852 0.110 17613 12674 1 18 . 1 1 43 43 LYS H H 43 7.499 7.499 7.969 -0.470 17613 12675 1 18 . 1 1 44 44 LYS N N 44 118.269 118.269 119.543 -1.274 17613 12676 1 18 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.146 -0.085 17613 12677 1 18 . 1 1 44 44 LYS C C 44 179.601 179.601 179.342 0.259 17613 12678 1 18 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.309 1.191 17613 12679 1 18 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.003 0.067 17613 12680 1 18 . 1 1 44 44 LYS H H 44 7.445 7.445 7.492 -0.047 17613 12681 1 18 . 1 1 45 45 LEU N N 45 117.785 117.785 119.114 -1.329 17613 12682 1 18 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.013 0.135 17613 12683 1 18 . 1 1 45 45 LEU C C 45 178.357 178.357 178.733 -0.376 17613 12684 1 18 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.669 -0.482 17613 12685 1 18 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.583 0.190 17613 12686 1 18 . 1 1 45 45 LEU H H 45 8.161 8.161 7.982 0.179 17613 12687 1 18 . 1 1 46 46 ALA N N 46 118.538 118.538 120.734 -2.196 17613 12688 1 18 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.243 0.009 17613 12689 1 18 . 1 1 46 46 ALA C C 46 178.893 178.893 180.167 -1.274 17613 12690 1 18 . 1 1 46 46 ALA CA C 46 53.672 53.672 54.391 -0.719 17613 12691 1 18 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.863 0.019 17613 12692 1 18 . 1 1 46 46 ALA H H 46 7.637 7.637 7.630 0.007 17613 12693 1 18 . 1 1 47 47 GLU N N 47 115.492 115.492 117.385 -1.893 17613 12694 1 18 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.212 0.038 17613 12695 1 18 . 1 1 47 47 GLU C C 47 176.478 176.478 177.639 -1.161 17613 12696 1 18 . 1 1 47 47 GLU CA C 47 56.931 56.931 58.163 -1.232 17613 12697 1 18 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.244 0.173 17613 12698 1 18 . 1 1 47 47 GLU H H 47 7.713 7.713 8.161 -0.448 17613 12699 1 18 . 1 1 48 48 GLU N N 48 120.573 120.573 119.664 0.909 17613 12700 1 18 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.565 -0.192 17613 12701 1 18 . 1 1 48 48 GLU C C 48 173.624 173.624 174.377 -0.753 17613 12702 1 18 . 1 1 48 48 GLU CA C 48 56.021 56.021 54.871 1.150 17613 12703 1 18 . 1 1 48 48 GLU CB C 48 29.910 29.910 30.020 -0.110 17613 12704 1 18 . 1 1 48 48 GLU H H 48 7.748 7.748 7.740 0.008 17613 12705 1 18 . 1 1 49 49 LYS N N 49 124.420 124.420 123.777 0.643 17613 12706 1 18 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.357 -0.039 17613 12707 1 18 . 1 1 49 49 LYS C C 49 176.843 176.843 175.576 1.267 17613 12708 1 18 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.259 0.258 17613 12709 1 18 . 1 1 49 49 LYS CB C 49 32.462 32.462 31.155 1.307 17613 12710 1 18 . 1 1 49 49 LYS H H 49 8.607 8.607 8.386 0.221 17613 12711 1 18 . 1 1 50 50 ASN N N 50 117.993 117.993 121.640 -3.647 17613 12712 1 18 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.799 -0.175 17613 12713 1 18 . 1 1 50 50 ASN C C 50 176.454 176.454 174.199 2.255 17613 12714 1 18 . 1 1 50 50 ASN CA C 50 53.555 53.555 51.381 2.174 17613 12715 1 18 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.284 -0.248 17613 12716 1 18 . 1 1 50 50 ASN H H 50 8.723 8.723 8.012 0.711 17613 12717 1 18 . 1 1 51 51 PHE N N 51 120.700 120.700 121.436 -0.736 17613 12718 1 18 . 1 1 51 51 PHE HA H 51 4.758 4.758 5.077 -0.319 17613 12719 1 18 . 1 1 51 51 PHE CA C 51 57.935 57.935 58.779 -0.844 17613 12720 1 18 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.996 -0.021 17613 12721 1 18 . 1 1 51 51 PHE H H 51 8.341 8.341 8.710 -0.369 17613 12722 1 18 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.361 -0.103 17613 12723 1 18 . 1 1 52 52 GLU C C 52 173.600 173.600 174.119 -0.519 17613 12724 1 18 . 1 1 52 52 GLU CA C 52 56.254 56.254 54.484 1.770 17613 12725 1 18 . 1 1 52 52 GLU CB C 52 33.459 33.459 32.721 0.738 17613 12726 1 18 . 1 1 53 53 LYS N N 53 119.964 119.964 125.758 -5.794 17613 12727 1 18 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.754 -0.065 17613 12728 1 18 . 1 1 53 53 LYS C C 53 174.430 174.430 174.490 -0.060 17613 12729 1 18 . 1 1 53 53 LYS CA C 53 55.356 55.356 54.679 0.677 17613 12730 1 18 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.382 0.063 17613 12731 1 18 . 1 1 53 53 LYS H H 53 7.962 7.962 8.394 -0.432 17613 12732 1 18 . 1 1 54 54 ILE N N 54 124.730 124.730 124.365 0.365 17613 12733 1 18 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.821 0.025 17613 12734 1 18 . 1 1 54 54 ILE C C 54 173.089 173.089 174.457 -1.368 17613 12735 1 18 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.228 1.036 17613 12736 1 18 . 1 1 54 54 ILE CB C 54 41.953 41.953 40.262 1.691 17613 12737 1 18 . 1 1 54 54 ILE H H 54 8.804 8.804 8.710 0.094 17613 12738 1 18 . 1 1 55 55 LEU N N 55 130.086 130.086 128.156 1.930 17613 12739 1 18 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.026 0.615 17613 12740 1 18 . 1 1 55 55 LEU C C 55 174.430 174.430 175.061 -0.631 17613 12741 1 18 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.538 -0.036 17613 12742 1 18 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.874 0.328 17613 12743 1 18 . 1 1 55 55 LEU H H 55 9.103 9.103 8.168 0.935 17613 12744 1 18 . 1 1 56 56 ILE N N 56 125.983 125.983 127.556 -1.573 17613 12745 1 18 . 1 1 56 56 ILE HA H 56 5.057 5.057 5.030 0.027 17613 12746 1 18 . 1 1 56 56 ILE C C 56 174.089 174.089 175.447 -1.358 17613 12747 1 18 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.688 0.422 17613 12748 1 18 . 1 1 56 56 ILE CB C 56 39.823 39.823 37.817 2.006 17613 12749 1 18 . 1 1 56 56 ILE H H 56 9.182 9.182 8.387 0.795 17613 12750 1 18 . 1 1 57 57 ILE N N 57 127.241 127.241 128.303 -1.062 17613 12751 1 18 . 1 1 57 57 ILE HA H 57 4.912 4.912 5.078 -0.166 17613 12752 1 18 . 1 1 57 57 ILE C C 57 174.869 174.869 175.286 -0.417 17613 12753 1 18 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.050 -0.794 17613 12754 1 18 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.952 -2.001 17613 12755 1 18 . 1 1 57 57 ILE H H 57 8.541 8.541 8.214 0.327 17613 12756 1 18 . 1 1 58 58 SER N N 58 119.270 119.270 118.529 0.741 17613 12757 1 18 . 1 1 58 58 SER HA H 58 5.007 5.007 5.197 -0.190 17613 12758 1 18 . 1 1 58 58 SER C C 58 174.211 174.211 173.901 0.310 17613 12759 1 18 . 1 1 58 58 SER CA C 58 56.727 56.727 57.249 -0.522 17613 12760 1 18 . 1 1 58 58 SER CB C 58 66.615 66.615 65.399 1.216 17613 12761 1 18 . 1 1 58 58 SER H H 58 8.810 8.810 8.485 0.325 17613 12762 1 18 . 1 1 59 59 ASN N N 59 122.382 122.382 125.341 -2.959 17613 12763 1 18 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.835 -0.124 17613 12764 1 18 . 1 1 59 59 ASN C C 59 174.795 174.795 174.833 -0.038 17613 12765 1 18 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.207 -0.700 17613 12766 1 18 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.024 -0.062 17613 12767 1 18 . 1 1 59 59 ASN H H 59 8.794 8.794 8.606 0.188 17613 12768 1 18 . 1 1 60 60 ASP N N 60 119.744 119.744 120.979 -1.235 17613 12769 1 18 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.791 0.072 17613 12770 1 18 . 1 1 60 60 ASP C C 60 176.015 176.015 176.176 -0.161 17613 12771 1 18 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.879 0.218 17613 12772 1 18 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.599 0.350 17613 12773 1 18 . 1 1 60 60 ASP H H 60 7.857 7.857 7.446 0.411 17613 12774 1 18 . 1 1 61 61 LYS N N 61 125.818 125.818 126.665 -0.847 17613 12775 1 18 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.088 -0.366 17613 12776 1 18 . 1 1 61 61 LYS C C 61 177.673 177.673 178.086 -0.413 17613 12777 1 18 . 1 1 61 61 LYS CA C 61 59.632 59.632 58.834 0.798 17613 12778 1 18 . 1 1 61 61 LYS CB C 61 31.518 31.518 31.969 -0.451 17613 12779 1 18 . 1 1 61 61 LYS H H 61 8.904 8.904 8.700 0.204 17613 12780 1 18 . 1 1 62 62 GLN N N 62 118.918 118.918 120.846 -1.928 17613 12781 1 18 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.114 -0.009 17613 12782 1 18 . 1 1 62 62 GLN C C 62 178.747 178.747 178.085 0.662 17613 12783 1 18 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.998 -0.697 17613 12784 1 18 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.463 -1.015 17613 12785 1 18 . 1 1 62 62 GLN H H 62 8.434 8.434 7.776 0.658 17613 12786 1 18 . 1 1 63 63 LEU N N 63 120.071 120.071 119.716 0.355 17613 12787 1 18 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.056 0.078 17613 12788 1 18 . 1 1 63 63 LEU C C 63 178.552 178.552 179.120 -0.568 17613 12789 1 18 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.410 -0.767 17613 12790 1 18 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.783 -0.889 17613 12791 1 18 . 1 1 63 63 LEU H H 63 7.671 7.671 8.248 -0.577 17613 12792 1 18 . 1 1 64 64 LEU N N 64 117.705 117.705 120.630 -2.925 17613 12793 1 18 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.895 0.012 17613 12794 1 18 . 1 1 64 64 LEU C C 64 172.526 172.526 178.312 -5.786 17613 12795 1 18 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.518 -0.740 17613 12796 1 18 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.829 -0.479 17613 12797 1 18 . 1 1 64 64 LEU H H 64 7.626 7.626 7.626 -0.000 17613 12798 1 18 . 1 1 65 65 LYS N N 65 118.311 118.311 119.141 -0.830 17613 12799 1 18 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.901 -0.107 17613 12800 1 18 . 1 1 65 65 LYS C C 65 178.479 178.479 179.030 -0.551 17613 12801 1 18 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.186 0.040 17613 12802 1 18 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.205 0.061 17613 12803 1 18 . 1 1 65 65 LYS H H 65 8.038 8.038 7.892 0.146 17613 12804 1 18 . 1 1 66 66 GLU N N 66 119.362 119.362 118.943 0.419 17613 12805 1 18 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.031 -0.005 17613 12806 1 18 . 1 1 66 66 GLU C C 66 178.893 178.893 178.985 -0.092 17613 12807 1 18 . 1 1 66 66 GLU CA C 66 59.119 59.119 59.085 0.034 17613 12808 1 18 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.326 -0.064 17613 12809 1 18 . 1 1 66 66 GLU H H 66 7.803 7.803 7.935 -0.132 17613 12810 1 18 . 1 1 67 67 MET N N 67 118.398 118.398 120.166 -1.768 17613 12811 1 18 . 1 1 67 67 MET HA H 67 3.948 3.948 4.105 -0.157 17613 12812 1 18 . 1 1 67 67 MET C C 67 177.527 177.527 178.220 -0.693 17613 12813 1 18 . 1 1 67 67 MET CA C 67 59.963 59.963 58.359 1.604 17613 12814 1 18 . 1 1 67 67 MET CB C 67 33.443 33.443 32.335 1.108 17613 12815 1 18 . 1 1 67 67 MET H H 67 8.394 8.394 8.124 0.270 17613 12816 1 18 . 1 1 68 68 LEU N N 68 118.269 118.269 118.145 0.124 17613 12817 1 18 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.862 -0.083 17613 12818 1 18 . 1 1 68 68 LEU C C 68 178.869 178.869 179.699 -0.830 17613 12819 1 18 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.559 0.382 17613 12820 1 18 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.041 -0.166 17613 12821 1 18 . 1 1 68 68 LEU H H 68 8.471 8.471 7.872 0.599 17613 12822 1 18 . 1 1 69 69 GLU N N 69 118.681 118.681 119.728 -1.047 17613 12823 1 18 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.061 -0.006 17613 12824 1 18 . 1 1 69 69 GLU C C 69 179.063 179.063 179.231 -0.168 17613 12825 1 18 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.390 0.034 17613 12826 1 18 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.602 -0.462 17613 12827 1 18 . 1 1 69 69 GLU H H 69 7.627 7.627 7.896 -0.269 17613 12828 1 18 . 1 1 70 70 LEU N N 70 119.503 119.503 119.870 -0.367 17613 12829 1 18 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.072 0.089 17613 12830 1 18 . 1 1 70 70 LEU C C 70 179.699 179.699 179.113 0.586 17613 12831 1 18 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.561 0.213 17613 12832 1 18 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.982 -0.038 17613 12833 1 18 . 1 1 70 70 LEU H H 70 7.717 7.717 7.814 -0.097 17613 12834 1 18 . 1 1 71 71 ILE N N 71 116.791 116.791 120.536 -3.745 17613 12835 1 18 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.728 0.009 17613 12836 1 18 . 1 1 71 71 ILE C C 71 178.357 178.357 178.275 0.082 17613 12837 1 18 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.684 -1.442 17613 12838 1 18 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.839 0.062 17613 12839 1 18 . 1 1 71 71 ILE H H 71 8.598 8.598 8.244 0.354 17613 12840 1 18 . 1 1 72 72 SER N N 72 116.517 116.517 114.657 1.860 17613 12841 1 18 . 1 1 72 72 SER HA H 72 4.365 4.365 4.233 0.132 17613 12842 1 18 . 1 1 72 72 SER C C 72 176.845 176.845 175.767 1.078 17613 12843 1 18 . 1 1 72 72 SER CA C 72 61.365 61.365 60.832 0.533 17613 12844 1 18 . 1 1 72 72 SER CB C 72 62.780 62.780 62.687 0.093 17613 12845 1 18 . 1 1 72 72 SER H H 72 8.023 8.023 8.143 -0.120 17613 12846 1 18 . 1 1 73 73 LYS N N 73 120.731 120.731 119.690 1.041 17613 12847 1 18 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.182 0.109 17613 12848 1 18 . 1 1 73 73 LYS C C 73 177.771 177.771 177.121 0.650 17613 12849 1 18 . 1 1 73 73 LYS CA C 73 57.476 57.476 57.800 -0.324 17613 12850 1 18 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.178 -0.032 17613 12851 1 18 . 1 1 73 73 LYS H H 73 7.723 7.723 7.824 -0.101 17613 12852 1 18 . 1 1 74 74 LEU N N 74 117.572 117.572 117.447 0.125 17613 12853 1 18 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.237 -0.010 17613 12854 1 18 . 1 1 74 74 LEU C C 74 177.332 177.332 177.212 0.120 17613 12855 1 18 . 1 1 74 74 LEU CA C 74 55.199 55.199 54.958 0.241 17613 12856 1 18 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.770 -1.284 17613 12857 1 18 . 1 1 74 74 LEU H H 74 7.609 7.609 7.228 0.381 17613 12858 1 18 . 1 1 75 75 GLY N N 75 105.991 105.991 106.495 -0.504 17613 12859 1 18 . 1 1 75 75 GLY C C 75 174.771 174.771 173.057 1.714 17613 12860 1 18 . 1 1 75 75 GLY CA C 75 45.842 45.842 44.908 0.934 17613 12861 1 18 . 1 1 75 75 GLY H H 75 7.925 7.925 7.974 -0.049 17613 12862 1 18 . 1 1 76 76 TYR N N 76 118.452 118.452 120.141 -1.689 17613 12863 1 18 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.704 0.074 17613 12864 1 18 . 1 1 76 76 TYR C C 76 175.234 175.234 175.667 -0.433 17613 12865 1 18 . 1 1 76 76 TYR CA C 76 55.504 55.504 55.911 -0.407 17613 12866 1 18 . 1 1 76 76 TYR CB C 76 37.962 37.962 41.349 -3.387 17613 12867 1 18 . 1 1 76 76 TYR H H 76 7.366 7.366 7.702 -0.336 17613 12868 1 18 . 1 1 77 77 LYS N N 77 122.866 122.866 123.724 -0.858 17613 12869 1 18 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.343 0.205 17613 12870 1 18 . 1 1 77 77 LYS C C 77 174.138 174.138 175.173 -1.035 17613 12871 1 18 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.477 -0.407 17613 12872 1 18 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.538 0.679 17613 12873 1 18 . 1 1 77 77 LYS H H 77 8.290 8.290 8.524 -0.234 17613 12874 1 18 . 1 1 78 78 VAL N N 78 124.071 124.071 124.252 -0.181 17613 12875 1 18 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.082 0.084 17613 12876 1 18 . 1 1 78 78 VAL C C 78 174.162 174.162 174.649 -0.487 17613 12877 1 18 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.004 -0.775 17613 12878 1 18 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.543 0.812 17613 12879 1 18 . 1 1 78 78 VAL H H 78 7.830 7.830 7.801 0.029 17613 12880 1 18 . 1 1 79 79 PHE N N 79 126.174 126.174 125.983 0.191 17613 12881 1 18 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.768 -0.201 17613 12882 1 18 . 1 1 79 79 PHE C C 79 173.357 173.357 174.164 -0.807 17613 12883 1 18 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.292 -0.339 17613 12884 1 18 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.450 -0.266 17613 12885 1 18 . 1 1 79 79 PHE H H 79 8.374 8.374 8.574 -0.200 17613 12886 1 18 . 1 1 80 80 LEU N N 80 123.959 123.959 125.817 -1.858 17613 12887 1 18 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.267 0.279 17613 12888 1 18 . 1 1 80 80 LEU C C 80 173.503 173.503 174.766 -1.263 17613 12889 1 18 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.957 1.041 17613 12890 1 18 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.064 0.603 17613 12891 1 18 . 1 1 80 80 LEU H H 80 8.601 8.601 8.705 -0.104 17613 12892 1 18 . 1 1 81 81 LEU N N 81 126.694 126.694 128.758 -2.064 17613 12893 1 18 . 1 1 81 81 LEU HA H 81 5.269 5.269 4.969 0.300 17613 12894 1 18 . 1 1 81 81 LEU C C 81 173.649 173.649 174.524 -0.875 17613 12895 1 18 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.523 -0.459 17613 12896 1 18 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.033 0.744 17613 12897 1 18 . 1 1 81 81 LEU H H 81 9.063 9.063 8.873 0.190 17613 12898 1 18 . 1 1 82 82 LEU N N 82 124.888 124.888 128.228 -3.340 17613 12899 1 18 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.600 0.311 17613 12900 1 18 . 1 1 82 82 LEU C C 82 174.479 174.479 175.090 -0.611 17613 12901 1 18 . 1 1 82 82 LEU CA C 82 53.135 53.135 54.194 -1.059 17613 12902 1 18 . 1 1 82 82 LEU CB C 82 44.222 44.222 42.422 1.800 17613 12903 1 18 . 1 1 82 82 LEU H H 82 8.864 8.864 8.317 0.547 17613 12904 1 18 . 1 1 83 83 GLN N N 83 122.153 122.153 125.239 -3.086 17613 12905 1 18 . 1 1 83 83 GLN HA H 83 5.260 5.260 4.875 0.385 17613 12906 1 18 . 1 1 83 83 GLN C C 83 174.333 174.333 174.552 -0.219 17613 12907 1 18 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.887 -0.301 17613 12908 1 18 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.168 -1.298 17613 12909 1 18 . 1 1 83 83 GLN H H 83 8.437 8.437 8.620 -0.183 17613 12910 1 18 . 1 1 84 84 ASP N N 84 124.451 124.451 126.293 -1.842 17613 12911 1 18 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.978 -0.476 17613 12912 1 18 . 1 1 84 84 ASP C C 84 174.308 174.308 175.291 -0.983 17613 12913 1 18 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.808 0.207 17613 12914 1 18 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.381 -0.610 17613 12915 1 18 . 1 1 84 84 ASP H H 84 8.205 8.205 8.648 -0.443 17613 12916 1 18 . 1 1 85 85 GLN N N 85 120.202 120.202 123.081 -2.879 17613 12917 1 18 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.147 0.187 17613 12918 1 18 . 1 1 85 85 GLN C C 85 175.431 175.431 175.485 -0.054 17613 12919 1 18 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.220 -0.625 17613 12920 1 18 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.330 0.004 17613 12921 1 18 . 1 1 85 85 GLN H H 85 8.617 8.617 8.717 -0.100 17613 12922 1 18 . 1 1 86 86 ASP N N 86 120.508 120.508 119.697 0.811 17613 12923 1 18 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.821 -0.136 17613 12924 1 18 . 1 1 86 86 ASP C C 86 175.747 175.747 176.114 -0.367 17613 12925 1 18 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.011 0.501 17613 12926 1 18 . 1 1 86 86 ASP CB C 86 40.957 40.957 41.892 -0.935 17613 12927 1 18 . 1 1 86 86 ASP H H 86 8.691 8.691 8.072 0.619 17613 12928 1 18 . 1 1 87 87 GLU N N 87 123.604 123.604 125.827 -2.223 17613 12929 1 18 . 1 1 87 87 GLU HA H 87 4.035 4.035 3.948 0.087 17613 12930 1 18 . 1 1 87 87 GLU C C 87 177.771 177.771 177.465 0.306 17613 12931 1 18 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.549 -1.027 17613 12932 1 18 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.813 -0.238 17613 12933 1 18 . 1 1 87 87 GLU H H 87 8.642 8.642 8.885 -0.243 17613 12934 1 18 . 1 1 88 88 ASN N N 88 118.838 118.838 118.051 0.787 17613 12935 1 18 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.459 0.102 17613 12936 1 18 . 1 1 88 88 ASN C C 88 177.089 177.089 177.410 -0.321 17613 12937 1 18 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.627 -0.985 17613 12938 1 18 . 1 1 88 88 ASN CB C 88 38.166 38.166 38.293 -0.127 17613 12939 1 18 . 1 1 88 88 ASN H H 88 8.527 8.527 7.888 0.639 17613 12940 1 18 . 1 1 89 89 GLU N N 89 120.947 120.947 120.310 0.637 17613 12941 1 18 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.414 -0.267 17613 12942 1 18 . 1 1 89 89 GLU C C 89 178.357 178.357 179.327 -0.970 17613 12943 1 18 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.439 -0.188 17613 12944 1 18 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.426 -0.182 17613 12945 1 18 . 1 1 89 89 GLU H H 89 8.221 8.221 8.181 0.040 17613 12946 1 18 . 1 1 90 90 LEU N N 90 119.582 119.582 121.953 -2.371 17613 12947 1 18 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.040 0.165 17613 12948 1 18 . 1 1 90 90 LEU C C 90 177.917 177.917 178.390 -0.473 17613 12949 1 18 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.433 -1.489 17613 12950 1 18 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.994 0.462 17613 12951 1 18 . 1 1 90 90 LEU H H 90 8.047 8.047 7.735 0.312 17613 12952 1 18 . 1 1 91 91 GLU N N 91 119.029 119.029 118.852 0.177 17613 12953 1 18 . 1 1 91 91 GLU HA H 91 4.073 4.073 3.993 0.080 17613 12954 1 18 . 1 1 91 91 GLU C C 91 178.284 178.284 178.847 -0.563 17613 12955 1 18 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.694 -0.565 17613 12956 1 18 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.553 -0.583 17613 12957 1 18 . 1 1 91 91 GLU H H 91 7.940 7.940 8.101 -0.161 17613 12958 1 18 . 1 1 92 92 GLU N N 92 118.667 118.667 119.253 -0.586 17613 12959 1 18 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.035 -0.003 17613 12960 1 18 . 1 1 92 92 GLU C C 92 178.103 178.103 179.247 -1.144 17613 12961 1 18 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.194 0.058 17613 12962 1 18 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.560 -0.628 17613 12963 1 18 . 1 1 92 92 GLU H H 92 8.088 8.088 7.967 0.121 17613 12964 1 18 . 1 1 93 93 PHE N N 93 120.118 120.118 119.481 0.637 17613 12965 1 18 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.364 -0.024 17613 12966 1 18 . 1 1 93 93 PHE C C 93 176.894 176.894 176.926 -0.032 17613 12967 1 18 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.572 0.873 17613 12968 1 18 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.511 -0.524 17613 12969 1 18 . 1 1 93 93 PHE H H 93 8.103 8.103 7.698 0.405 17613 12970 1 18 . 1 1 94 94 LYS N N 94 118.941 118.941 121.057 -2.116 17613 12971 1 18 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.820 -0.203 17613 12972 1 18 . 1 1 94 94 LYS C C 94 177.600 177.600 178.707 -1.107 17613 12973 1 18 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.530 0.546 17613 12974 1 18 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.438 0.027 17613 12975 1 18 . 1 1 94 94 LYS H H 94 8.606 8.606 8.186 0.420 17613 12976 1 18 . 1 1 95 95 ARG N N 95 117.194 117.194 116.460 0.734 17613 12977 1 18 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.156 -0.006 17613 12978 1 18 . 1 1 95 95 ARG C C 95 179.404 179.404 178.903 0.501 17613 12979 1 18 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.905 0.198 17613 12980 1 18 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.675 0.144 17613 12981 1 18 . 1 1 95 95 ARG H H 95 8.159 8.159 8.078 0.081 17613 12982 1 18 . 1 1 96 96 LYS N N 96 119.582 119.582 120.274 -0.692 17613 12983 1 18 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.060 0.005 17613 12984 1 18 . 1 1 96 96 LYS C C 96 179.034 179.034 179.094 -0.060 17613 12985 1 18 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.164 -0.230 17613 12986 1 18 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.209 -0.140 17613 12987 1 18 . 1 1 96 96 LYS H H 96 7.786 7.786 7.425 0.361 17613 12988 1 18 . 1 1 97 97 ILE N N 97 118.550 118.550 118.969 -0.419 17613 12989 1 18 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.711 0.227 17613 12990 1 18 . 1 1 97 97 ILE C C 97 178.284 178.284 177.749 0.535 17613 12991 1 18 . 1 1 97 97 ILE CA C 97 62.569 62.569 64.680 -2.111 17613 12992 1 18 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.678 -0.471 17613 12993 1 18 . 1 1 97 97 ILE H H 97 7.831 7.831 7.369 0.463 17613 12994 1 18 . 1 1 98 98 GLU N N 98 121.984 121.984 120.432 1.552 17613 12995 1 18 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.351 -0.015 17613 12996 1 18 . 1 1 98 98 GLU C C 98 180.040 180.040 178.487 1.553 17613 12997 1 18 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.772 0.179 17613 12998 1 18 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.723 -0.288 17613 12999 1 18 . 1 1 98 98 GLU H H 98 8.670 8.670 8.226 0.444 17613 13000 1 18 . 1 1 99 99 SER N N 99 115.499 115.499 113.797 1.702 17613 13001 1 18 . 1 1 99 99 SER HA H 99 4.343 4.343 4.336 0.007 17613 13002 1 18 . 1 1 99 99 SER C C 99 174.820 174.820 176.381 -1.561 17613 13003 1 18 . 1 1 99 99 SER CA C 99 60.410 60.410 60.213 0.197 17613 13004 1 18 . 1 1 99 99 SER CB C 99 62.680 62.680 63.165 -0.485 17613 13005 1 18 . 1 1 99 99 SER H H 99 8.099 8.099 7.613 0.486 17613 13006 1 18 . 1 1 100 100 GLN N N 100 119.301 119.301 119.580 -0.279 17613 13007 1 18 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.270 0.040 17613 13008 1 18 . 1 1 100 100 GLN C C 100 175.857 175.857 175.964 -0.107 17613 13009 1 18 . 1 1 100 100 GLN CA C 100 55.926 55.926 56.684 -0.758 17613 13010 1 18 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.487 -0.275 17613 13011 1 18 . 1 1 100 100 GLN H H 100 7.623 7.623 7.608 0.015 17613 13012 1 18 . 1 1 101 101 GLY N N 101 105.765 105.765 105.644 0.121 17613 13013 1 18 . 1 1 101 101 GLY C C 101 173.748 173.748 173.581 0.167 17613 13014 1 18 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.390 0.813 17613 13015 1 18 . 1 1 101 101 GLY H H 101 7.945 7.945 7.551 0.394 17613 13016 1 18 . 1 1 102 102 TYR N N 102 117.993 117.993 118.446 -0.453 17613 13017 1 18 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.572 0.100 17613 13018 1 18 . 1 1 102 102 TYR C C 102 174.747 174.747 174.726 0.021 17613 13019 1 18 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.904 -0.650 17613 13020 1 18 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.672 -1.624 17613 13021 1 18 . 1 1 102 102 TYR H H 102 6.890 6.890 7.459 -0.569 17613 13022 1 18 . 1 1 103 103 GLU N N 103 122.864 122.864 124.947 -2.083 17613 13023 1 18 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.474 0.033 17613 13024 1 18 . 1 1 103 103 GLU C C 103 174.162 174.162 174.944 -0.782 17613 13025 1 18 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.774 0.610 17613 13026 1 18 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.110 1.261 17613 13027 1 18 . 1 1 103 103 GLU H H 103 8.318 8.318 9.004 -0.686 17613 13028 1 18 . 1 1 104 104 VAL N N 104 124.342 124.342 127.618 -3.276 17613 13029 1 18 . 1 1 104 104 VAL HA H 104 5.228 5.228 5.033 0.195 17613 13030 1 18 . 1 1 104 104 VAL C C 104 174.235 174.235 175.429 -1.194 17613 13031 1 18 . 1 1 104 104 VAL CA C 104 59.280 59.280 60.784 -1.504 17613 13032 1 18 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.358 0.809 17613 13033 1 18 . 1 1 104 104 VAL H H 104 8.651 8.651 7.853 0.798 17613 13034 1 18 . 1 1 105 105 ARG N N 105 124.856 124.856 126.925 -2.069 17613 13035 1 18 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.824 0.091 17613 13036 1 18 . 1 1 105 105 ARG C C 105 173.917 173.917 175.474 -1.557 17613 13037 1 18 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.852 -1.387 17613 13038 1 18 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.428 -0.473 17613 13039 1 18 . 1 1 105 105 ARG H H 105 8.705 8.705 8.527 0.178 17613 13040 1 18 . 1 1 106 106 LYS N N 106 121.499 121.499 121.723 -0.224 17613 13041 1 18 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.021 0.557 17613 13042 1 18 . 1 1 106 106 LYS C C 106 174.820 174.820 176.016 -1.196 17613 13043 1 18 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.934 -2.066 17613 13044 1 18 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.005 1.294 17613 13045 1 18 . 1 1 106 106 LYS H H 106 8.807 8.807 8.417 0.390 17613 13046 1 18 . 1 1 107 107 VAL N N 107 118.792 118.792 120.955 -2.163 17613 13047 1 18 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.407 0.208 17613 13048 1 18 . 1 1 107 107 VAL C C 107 173.332 173.332 174.368 -1.036 17613 13049 1 18 . 1 1 107 107 VAL CA C 107 60.222 60.222 61.096 -0.874 17613 13050 1 18 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.599 -0.365 17613 13051 1 18 . 1 1 107 107 VAL H H 107 8.555 8.555 8.170 0.385 17613 13052 1 18 . 1 1 108 108 THR N N 108 114.072 114.072 119.661 -5.589 17613 13053 1 18 . 1 1 108 108 THR HA H 108 4.781 4.781 4.843 -0.062 17613 13054 1 18 . 1 1 108 108 THR C C 108 174.625 174.625 175.081 -0.456 17613 13055 1 18 . 1 1 108 108 THR CA C 108 62.221 62.221 62.459 -0.238 17613 13056 1 18 . 1 1 108 108 THR CB C 108 69.975 69.975 70.096 -0.121 17613 13057 1 18 . 1 1 108 108 THR H H 108 8.604 8.604 8.522 0.082 17613 13058 1 18 . 1 1 109 109 ASP N N 109 122.574 122.574 123.738 -1.164 17613 13059 1 18 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.756 -0.018 17613 13060 1 18 . 1 1 109 109 ASP C C 109 175.796 175.796 177.211 -1.415 17613 13061 1 18 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.763 -0.914 17613 13062 1 18 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.523 1.165 17613 13063 1 18 . 1 1 109 109 ASP H H 109 8.036 8.036 7.765 0.271 17613 13064 1 18 . 1 1 110 110 ASP N N 110 122.852 122.852 123.560 -0.708 17613 13065 1 18 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.294 -0.199 17613 13066 1 18 . 1 1 110 110 ASP C C 110 177.527 177.527 177.768 -0.241 17613 13067 1 18 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.496 -0.108 17613 13068 1 18 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.725 -0.424 17613 13069 1 18 . 1 1 110 110 ASP H H 110 8.696 8.696 8.704 -0.008 17613 13070 1 18 . 1 1 111 111 GLU N N 111 119.144 119.144 119.470 -0.326 17613 13071 1 18 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.071 -0.083 17613 13072 1 18 . 1 1 111 111 GLU C C 111 179.942 179.942 178.758 1.184 17613 13073 1 18 . 1 1 111 111 GLU CA C 111 59.357 59.357 58.964 0.393 17613 13074 1 18 . 1 1 111 111 GLU CB C 111 28.496 28.496 28.679 -0.183 17613 13075 1 18 . 1 1 111 111 GLU H H 111 8.213 8.213 8.577 -0.364 17613 13076 1 18 . 1 1 112 112 GLU N N 112 121.400 121.400 119.876 1.524 17613 13077 1 18 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.087 -0.090 17613 13078 1 18 . 1 1 112 112 GLU C C 112 178.430 178.430 178.210 0.220 17613 13079 1 18 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.516 0.233 17613 13080 1 18 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.307 -0.113 17613 13081 1 18 . 1 1 112 112 GLU H H 112 8.234 8.234 8.543 -0.309 17613 13082 1 18 . 1 1 113 113 ALA N N 113 120.316 120.316 122.571 -2.255 17613 13083 1 18 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.056 -0.256 17613 13084 1 18 . 1 1 113 113 ALA C C 113 178.430 178.430 179.755 -1.325 17613 13085 1 18 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.225 0.157 17613 13086 1 18 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.105 0.497 17613 13087 1 18 . 1 1 113 113 ALA H H 113 8.118 8.118 7.874 0.244 17613 13088 1 18 . 1 1 114 114 LEU N N 114 116.901 116.901 117.333 -0.432 17613 13089 1 18 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.857 -0.144 17613 13090 1 18 . 1 1 114 114 LEU C C 114 178.431 178.431 179.333 -0.902 17613 13091 1 18 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.630 0.045 17613 13092 1 18 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.433 -0.497 17613 13093 1 18 . 1 1 114 114 LEU H H 114 7.743 7.743 7.592 0.151 17613 13094 1 18 . 1 1 115 115 LYS N N 115 119.066 119.066 118.046 1.020 17613 13095 1 18 . 1 1 115 115 LYS HA H 115 3.800 3.800 4.050 -0.250 17613 13096 1 18 . 1 1 115 115 LYS C C 115 179.404 179.404 179.035 0.369 17613 13097 1 18 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.312 0.571 17613 13098 1 18 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.398 -0.220 17613 13099 1 18 . 1 1 115 115 LYS H H 115 7.617 7.617 7.425 0.192 17613 13100 1 18 . 1 1 116 116 ILE N N 116 120.613 120.613 120.205 0.408 17613 13101 1 18 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.778 -0.318 17613 13102 1 18 . 1 1 116 116 ILE C C 116 177.016 177.016 177.663 -0.647 17613 13103 1 18 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.454 1.668 17613 13104 1 18 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.931 -0.608 17613 13105 1 18 . 1 1 116 116 ILE H H 116 8.004 8.004 8.014 -0.010 17613 13106 1 18 . 1 1 117 117 VAL N N 117 120.234 120.234 121.489 -1.255 17613 13107 1 18 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.653 -0.393 17613 13108 1 18 . 1 1 117 117 VAL C C 117 177.746 177.746 177.584 0.162 17613 13109 1 18 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.296 0.209 17613 13110 1 18 . 1 1 117 117 VAL CB C 117 30.753 30.753 31.367 -0.614 17613 13111 1 18 . 1 1 117 117 VAL H H 117 8.121 8.121 8.424 -0.303 17613 13112 1 18 . 1 1 118 118 ARG N N 118 118.415 118.415 117.767 0.648 17613 13113 1 18 . 1 1 118 118 ARG HA H 118 3.893 3.893 4.015 -0.122 17613 13114 1 18 . 1 1 118 118 ARG C C 118 178.966 178.966 178.387 0.579 17613 13115 1 18 . 1 1 118 118 ARG CA C 118 60.169 60.169 58.915 1.254 17613 13116 1 18 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.474 0.228 17613 13117 1 18 . 1 1 118 118 ARG H H 118 8.026 8.026 7.937 0.089 17613 13118 1 18 . 1 1 119 119 GLU N N 119 122.419 122.419 120.882 1.537 17613 13119 1 18 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.010 0.017 17613 13120 1 18 . 1 1 119 119 GLU C C 119 179.429 179.429 178.631 0.798 17613 13121 1 18 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.905 0.625 17613 13122 1 18 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.031 -0.070 17613 13123 1 18 . 1 1 119 119 GLU H H 119 7.918 7.918 7.470 0.448 17613 13124 1 18 . 1 1 120 120 PHE N N 120 119.597 119.597 119.185 0.412 17613 13125 1 18 . 1 1 120 120 PHE HA H 120 4.022 4.022 4.063 -0.041 17613 13126 1 18 . 1 1 120 120 PHE C C 120 177.698 177.698 178.265 -0.567 17613 13127 1 18 . 1 1 120 120 PHE CA C 120 56.868 56.868 61.025 -4.157 17613 13128 1 18 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.443 -1.690 17613 13129 1 18 . 1 1 120 120 PHE H H 120 8.826 8.826 7.779 1.047 17613 13130 1 18 . 1 1 121 121 MET N N 121 116.596 116.596 117.656 -1.060 17613 13131 1 18 . 1 1 121 121 MET HA H 121 3.931 3.931 4.144 -0.213 17613 13132 1 18 . 1 1 121 121 MET C C 121 179.577 179.577 178.522 1.055 17613 13133 1 18 . 1 1 121 121 MET CA C 121 59.785 59.785 58.577 1.208 17613 13134 1 18 . 1 1 121 121 MET CB C 121 33.643 33.643 32.190 1.453 17613 13135 1 18 . 1 1 121 121 MET H H 121 8.317 8.317 8.304 0.013 17613 13136 1 18 . 1 1 122 122 GLN N N 122 120.565 120.565 119.930 0.635 17613 13137 1 18 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.049 0.086 17613 13138 1 18 . 1 1 122 122 GLN C C 122 178.893 178.893 178.063 0.830 17613 13139 1 18 . 1 1 122 122 GLN CA C 122 58.745 58.745 58.819 -0.074 17613 13140 1 18 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.037 -0.017 17613 13141 1 18 . 1 1 122 122 GLN H H 122 8.054 8.054 7.907 0.147 17613 13142 1 18 . 1 1 123 123 LYS N N 123 121.605 121.605 119.320 2.285 17613 13143 1 18 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.013 0.012 17613 13144 1 18 . 1 1 123 123 LYS C C 123 179.307 179.307 178.760 0.547 17613 13145 1 18 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.032 0.211 17613 13146 1 18 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.241 0.065 17613 13147 1 18 . 1 1 123 123 LYS H H 123 8.400 8.400 7.655 0.745 17613 13148 1 18 . 1 1 124 124 ALA N N 124 121.873 121.873 120.996 0.877 17613 13149 1 18 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.269 -0.125 17613 13150 1 18 . 1 1 124 124 ALA C C 124 179.112 179.112 179.828 -0.716 17613 13151 1 18 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.590 0.062 17613 13152 1 18 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.359 0.575 17613 13153 1 18 . 1 1 124 124 ALA H H 124 8.601 8.601 7.636 0.965 17613 13154 1 18 . 1 1 125 125 GLY N N 125 104.755 104.755 105.650 -0.895 17613 13155 1 18 . 1 1 125 125 GLY C C 125 175.553 175.553 176.273 -0.720 17613 13156 1 18 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.258 -0.967 17613 13157 1 18 . 1 1 125 125 GLY H H 125 7.949 7.949 8.441 -0.492 17613 13158 1 18 . 1 1 126 126 SER N N 126 116.080 116.080 116.959 -0.879 17613 13159 1 18 . 1 1 126 126 SER HA H 126 4.447 4.447 4.352 0.095 17613 13160 1 18 . 1 1 126 126 SER C C 126 175.504 175.504 176.283 -0.779 17613 13161 1 18 . 1 1 126 126 SER CA C 126 59.965 59.965 61.451 -1.486 17613 13162 1 18 . 1 1 126 126 SER CB C 126 63.460 63.460 62.924 0.536 17613 13163 1 18 . 1 1 126 126 SER H H 126 7.861 7.861 7.734 0.127 17613 13164 1 18 . 1 1 127 127 LEU N N 127 122.372 122.372 121.842 0.530 17613 13165 1 18 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.373 -0.091 17613 13166 1 18 . 1 1 127 127 LEU C C 127 177.990 177.990 178.760 -0.770 17613 13167 1 18 . 1 1 127 127 LEU CA C 127 56.217 56.217 57.076 -0.859 17613 13168 1 18 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.224 -0.151 17613 13169 1 18 . 1 1 127 127 LEU H H 127 7.882 7.882 7.649 0.233 17613 13170 1 18 . 1 1 128 128 GLU N N 128 119.775 119.775 118.563 1.212 17613 13171 1 18 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.532 -0.624 17613 13172 1 18 . 1 1 128 128 GLU CA C 128 57.611 57.611 58.931 -1.320 17613 13173 1 18 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.963 -0.133 17613 13174 1 18 . 1 1 128 128 GLU H H 128 8.084 8.084 7.985 0.099 17613 13175 1 18 . 1 1 131 131 HIS N N 131 125.272 125.272 125.443 -0.171 17613 13176 1 18 . 1 1 131 131 HIS H H 131 8.059 8.059 8.062 -0.003 17613 13177 1 19 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.682 0.144 17613 13178 1 19 . 1 1 3 3 ILE C C 3 173.405 173.405 174.683 -1.278 17613 13179 1 19 . 1 1 3 3 ILE CA C 3 59.556 59.556 59.889 -0.333 17613 13180 1 19 . 1 1 3 3 ILE CB C 3 40.508 40.508 40.271 0.237 17613 13181 1 19 . 1 1 3 3 ILE H H 3 8.444 8.444 7.728 0.716 17613 13182 1 19 . 1 1 4 4 LEU N N 4 127.785 127.785 126.182 1.603 17613 13183 1 19 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.624 -0.165 17613 13184 1 19 . 1 1 4 4 LEU C C 4 174.832 174.832 176.171 -1.339 17613 13185 1 19 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.064 0.277 17613 13186 1 19 . 1 1 4 4 LEU CB C 4 45.313 45.313 45.595 -0.282 17613 13187 1 19 . 1 1 4 4 LEU H H 4 9.081 9.081 8.818 0.263 17613 13188 1 19 . 1 1 5 5 ILE N N 5 123.010 123.010 122.442 0.568 17613 13189 1 19 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.818 0.015 17613 13190 1 19 . 1 1 5 5 ILE C C 5 173.357 173.357 174.382 -1.025 17613 13191 1 19 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.124 1.420 17613 13192 1 19 . 1 1 5 5 ILE CB C 5 39.532 39.532 38.675 0.857 17613 13193 1 19 . 1 1 5 5 ILE H H 5 8.765 8.765 8.858 -0.093 17613 13194 1 19 . 1 1 6 6 LEU N N 6 129.320 129.320 129.879 -0.559 17613 13195 1 19 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.267 0.079 17613 13196 1 19 . 1 1 6 6 LEU C C 6 174.795 174.795 175.080 -0.285 17613 13197 1 19 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.161 -0.161 17613 13198 1 19 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.916 0.612 17613 13199 1 19 . 1 1 6 6 LEU H H 6 9.235 9.235 8.238 0.997 17613 13200 1 19 . 1 1 7 7 ILE N N 7 120.746 120.746 125.577 -4.831 17613 13201 1 19 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.788 0.393 17613 13202 1 19 . 1 1 7 7 ILE C C 7 173.819 173.819 173.792 0.027 17613 13203 1 19 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.344 -2.129 17613 13204 1 19 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.549 -1.395 17613 13205 1 19 . 1 1 7 7 ILE H H 7 8.931 8.931 8.660 0.271 17613 13206 1 19 . 1 1 8 8 ASN N N 8 125.539 125.539 125.434 0.105 17613 13207 1 19 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.352 0.550 17613 13208 1 19 . 1 1 8 8 ASN C C 8 176.478 176.478 173.524 2.954 17613 13209 1 19 . 1 1 8 8 ASN CA C 8 51.104 51.104 52.231 -1.127 17613 13210 1 19 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.641 0.941 17613 13211 1 19 . 1 1 8 8 ASN H H 8 8.634 8.634 8.766 -0.132 17613 13212 1 19 . 1 1 9 9 THR N N 9 118.493 118.493 120.172 -1.679 17613 13213 1 19 . 1 1 9 9 THR HA H 9 4.739 4.739 4.825 -0.086 17613 13214 1 19 . 1 1 9 9 THR C C 9 170.114 170.114 174.806 -4.692 17613 13215 1 19 . 1 1 9 9 THR CA C 9 60.689 60.689 59.497 1.192 17613 13216 1 19 . 1 1 9 9 THR CB C 9 67.766 67.766 70.598 -2.832 17613 13217 1 19 . 1 1 9 9 THR H H 9 8.044 8.044 8.581 -0.537 17613 13218 1 19 . 1 1 10 10 ASN N N 10 123.266 123.266 123.243 0.023 17613 13219 1 19 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.765 0.202 17613 13220 1 19 . 1 1 10 10 ASN C C 10 174.601 174.601 175.075 -0.474 17613 13221 1 19 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.065 -2.221 17613 13222 1 19 . 1 1 10 10 ASN CB C 10 39.316 39.316 38.931 0.385 17613 13223 1 19 . 1 1 10 10 ASN H H 10 8.440 8.440 8.536 -0.096 17613 13224 1 19 . 1 1 11 11 ASN N N 11 120.920 120.920 119.918 1.002 17613 13225 1 19 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.946 -0.253 17613 13226 1 19 . 1 1 11 11 ASN C C 11 174.333 174.333 175.118 -0.785 17613 13227 1 19 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.438 -0.002 17613 13228 1 19 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.311 -0.962 17613 13229 1 19 . 1 1 11 11 ASN H H 11 8.366 8.366 7.643 0.723 17613 13230 1 19 . 1 1 12 12 ASP N N 12 126.315 126.315 123.925 2.390 17613 13231 1 19 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.265 0.008 17613 13232 1 19 . 1 1 12 12 ASP C C 12 178.089 178.089 177.291 0.798 17613 13233 1 19 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.502 0.106 17613 13234 1 19 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.805 0.356 17613 13235 1 19 . 1 1 12 12 ASP H H 12 8.586 8.586 8.915 -0.329 17613 13236 1 19 . 1 1 13 13 GLU N N 13 119.325 119.325 119.801 -0.476 17613 13237 1 19 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.013 0.013 17613 13238 1 19 . 1 1 13 13 GLU C C 13 178.893 178.893 178.613 0.280 17613 13239 1 19 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.089 -0.083 17613 13240 1 19 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.355 -0.646 17613 13241 1 19 . 1 1 13 13 GLU H H 13 8.289 8.289 8.380 -0.091 17613 13242 1 19 . 1 1 14 14 LEU N N 14 121.683 121.683 118.545 3.138 17613 13243 1 19 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.126 -0.141 17613 13244 1 19 . 1 1 14 14 LEU C C 14 178.309 178.309 179.035 -0.726 17613 13245 1 19 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.280 -0.019 17613 13246 1 19 . 1 1 14 14 LEU CB C 14 40.105 40.105 41.002 -0.897 17613 13247 1 19 . 1 1 14 14 LEU H H 14 7.577 7.577 7.572 0.005 17613 13248 1 19 . 1 1 15 15 ILE N N 15 119.483 119.483 119.359 0.124 17613 13249 1 19 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.601 -0.382 17613 13250 1 19 . 1 1 15 15 ILE C C 15 177.138 177.138 178.009 -0.871 17613 13251 1 19 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.377 1.213 17613 13252 1 19 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.635 -0.211 17613 13253 1 19 . 1 1 15 15 ILE H H 15 8.238 8.238 7.195 1.043 17613 13254 1 19 . 1 1 16 16 LYS N N 16 117.596 117.596 118.799 -1.203 17613 13255 1 19 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.083 -0.240 17613 13256 1 19 . 1 1 16 16 LYS C C 16 179.577 179.577 178.939 0.638 17613 13257 1 19 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.187 0.982 17613 13258 1 19 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.075 0.089 17613 13259 1 19 . 1 1 16 16 LYS H H 16 7.604 7.604 7.535 0.069 17613 13260 1 19 . 1 1 17 17 LYS N N 17 118.832 118.832 120.324 -1.492 17613 13261 1 19 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.072 -0.080 17613 13262 1 19 . 1 1 17 17 LYS C C 17 179.380 179.380 179.043 0.337 17613 13263 1 19 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.607 0.233 17613 13264 1 19 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.464 0.601 17613 13265 1 19 . 1 1 17 17 LYS H H 17 7.583 7.583 7.706 -0.123 17613 13266 1 19 . 1 1 18 18 ILE N N 18 120.961 120.961 120.066 0.895 17613 13267 1 19 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.648 -0.276 17613 13268 1 19 . 1 1 18 18 ILE C C 18 176.967 176.967 177.580 -0.613 17613 13269 1 19 . 1 1 18 18 ILE CA C 18 65.474 65.474 64.980 0.494 17613 13270 1 19 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.678 -0.122 17613 13271 1 19 . 1 1 18 18 ILE H H 18 8.785 8.785 8.174 0.611 17613 13272 1 19 . 1 1 19 19 LYS N N 19 118.324 118.324 119.871 -1.547 17613 13273 1 19 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.894 -0.214 17613 13274 1 19 . 1 1 19 19 LYS C C 19 177.746 177.746 178.837 -1.091 17613 13275 1 19 . 1 1 19 19 LYS CA C 19 60.853 60.853 60.289 0.564 17613 13276 1 19 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.127 0.199 17613 13277 1 19 . 1 1 19 19 LYS H H 19 8.532 8.532 7.760 0.772 17613 13278 1 19 . 1 1 20 20 LYS N N 20 116.284 116.284 117.524 -1.240 17613 13279 1 19 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.161 -0.074 17613 13280 1 19 . 1 1 20 20 LYS C C 20 178.406 178.406 179.124 -0.718 17613 13281 1 19 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.470 0.069 17613 13282 1 19 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.853 0.128 17613 13283 1 19 . 1 1 20 20 LYS H H 20 7.303 7.303 7.412 -0.109 17613 13284 1 19 . 1 1 21 21 GLU N N 21 118.488 118.488 119.042 -0.554 17613 13285 1 19 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.075 -0.112 17613 13286 1 19 . 1 1 21 21 GLU C C 21 179.088 179.088 179.346 -0.258 17613 13287 1 19 . 1 1 21 21 GLU CA C 21 58.894 58.894 58.932 -0.038 17613 13288 1 19 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.628 -0.194 17613 13289 1 19 . 1 1 21 21 GLU H H 21 7.665 7.665 7.890 -0.225 17613 13290 1 19 . 1 1 22 22 VAL N N 22 109.032 109.032 114.088 -5.056 17613 13291 1 19 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.189 -0.057 17613 13292 1 19 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.181 -1.382 17613 13293 1 19 . 1 1 22 22 VAL CB C 22 29.829 29.829 31.772 -1.943 17613 13294 1 19 . 1 1 22 22 VAL H H 22 8.037 8.037 8.108 -0.071 17613 13295 1 19 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.622 0.095 17613 13296 1 19 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.083 3.725 17613 13297 1 19 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.705 -0.534 17613 13298 1 19 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.584 0.062 17613 13299 1 19 . 1 1 25 25 GLN C C 25 175.692 175.692 176.691 -0.999 17613 13300 1 19 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.512 -0.495 17613 13301 1 19 . 1 1 26 26 GLY N N 26 106.368 106.368 107.274 -0.906 17613 13302 1 19 . 1 1 26 26 GLY C C 26 174.382 174.382 174.441 -0.059 17613 13303 1 19 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.559 0.399 17613 13304 1 19 . 1 1 26 26 GLY H H 26 8.020 8.020 7.851 0.169 17613 13305 1 19 . 1 1 27 27 TYR N N 27 119.082 119.082 119.477 -0.395 17613 13306 1 19 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.944 -0.511 17613 13307 1 19 . 1 1 27 27 TYR C C 27 174.528 174.528 175.636 -1.108 17613 13308 1 19 . 1 1 27 27 TYR CA C 27 58.054 58.054 56.642 1.412 17613 13309 1 19 . 1 1 27 27 TYR CB C 27 39.005 39.005 38.531 0.474 17613 13310 1 19 . 1 1 27 27 TYR H H 27 7.845 7.845 8.054 -0.209 17613 13311 1 19 . 1 1 28 28 GLN N N 28 120.362 120.362 124.201 -3.839 17613 13312 1 19 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.298 0.201 17613 13313 1 19 . 1 1 28 28 GLN C C 28 174.625 174.625 175.639 -1.014 17613 13314 1 19 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.425 -1.045 17613 13315 1 19 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.748 1.707 17613 13316 1 19 . 1 1 28 28 GLN H H 28 8.338 8.338 8.158 0.180 17613 13317 1 19 . 1 1 29 29 VAL N N 29 123.482 123.482 125.578 -2.096 17613 13318 1 19 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.478 0.565 17613 13319 1 19 . 1 1 29 29 VAL C C 29 175.820 175.820 176.341 -0.521 17613 13320 1 19 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.720 -1.232 17613 13321 1 19 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.169 0.304 17613 13322 1 19 . 1 1 29 29 VAL H H 29 8.776 8.776 8.422 0.354 17613 13323 1 19 . 1 1 30 30 ARG N N 30 127.787 127.787 128.388 -0.601 17613 13324 1 19 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.648 0.092 17613 13325 1 19 . 1 1 30 30 ARG C C 30 173.332 173.332 174.693 -1.361 17613 13326 1 19 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.196 0.592 17613 13327 1 19 . 1 1 30 30 ARG CB C 30 32.391 32.391 31.559 0.832 17613 13328 1 19 . 1 1 30 30 ARG H H 30 9.135 9.135 8.908 0.227 17613 13329 1 19 . 1 1 31 31 ASP N N 31 121.895 121.895 125.387 -3.492 17613 13330 1 19 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.053 0.157 17613 13331 1 19 . 1 1 31 31 ASP C C 31 175.282 175.282 175.643 -0.361 17613 13332 1 19 . 1 1 31 31 ASP CA C 31 53.370 53.370 54.156 -0.786 17613 13333 1 19 . 1 1 31 31 ASP CB C 31 42.722 42.722 42.064 0.658 17613 13334 1 19 . 1 1 31 31 ASP H H 31 8.377 8.377 8.630 -0.253 17613 13335 1 19 . 1 1 32 32 VAL N N 32 120.426 120.426 124.737 -4.311 17613 13336 1 19 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.382 -0.134 17613 13337 1 19 . 1 1 32 32 VAL C C 32 174.114 174.114 174.351 -0.237 17613 13338 1 19 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.644 -0.087 17613 13339 1 19 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.681 0.203 17613 13340 1 19 . 1 1 32 32 VAL H H 32 8.441 8.441 8.587 -0.146 17613 13341 1 19 . 1 1 33 33 ASN N N 33 122.700 122.700 122.308 0.392 17613 13342 1 19 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.927 0.050 17613 13343 1 19 . 1 1 33 33 ASN C C 33 174.235 174.235 173.638 0.597 17613 13344 1 19 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.032 0.364 17613 13345 1 19 . 1 1 33 33 ASN CB C 33 40.869 40.869 41.216 -0.347 17613 13346 1 19 . 1 1 33 33 ASN H H 33 9.550 9.550 8.755 0.795 17613 13347 1 19 . 1 1 34 34 ASP N N 34 114.885 114.885 118.858 -3.973 17613 13348 1 19 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.928 -0.225 17613 13349 1 19 . 1 1 34 34 ASP C C 34 175.626 175.626 176.374 -0.748 17613 13350 1 19 . 1 1 34 34 ASP CA C 34 53.483 53.483 53.517 -0.034 17613 13351 1 19 . 1 1 34 34 ASP CB C 34 42.396 42.396 44.762 -2.366 17613 13352 1 19 . 1 1 34 34 ASP H H 34 7.616 7.616 7.758 -0.142 17613 13353 1 19 . 1 1 35 35 SER N N 35 114.381 114.381 118.744 -4.363 17613 13354 1 19 . 1 1 35 35 SER HA H 35 4.046 4.046 4.177 -0.131 17613 13355 1 19 . 1 1 35 35 SER C C 35 175.991 175.991 175.799 0.192 17613 13356 1 19 . 1 1 35 35 SER CA C 35 61.446 61.446 61.691 -0.245 17613 13357 1 19 . 1 1 35 35 SER CB C 35 62.764 62.764 63.090 -0.326 17613 13358 1 19 . 1 1 35 35 SER H H 35 8.869 8.869 8.950 -0.081 17613 13359 1 19 . 1 1 36 36 ASP N N 36 124.695 124.695 122.228 2.467 17613 13360 1 19 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.503 0.016 17613 13361 1 19 . 1 1 36 36 ASP C C 36 179.136 179.136 178.533 0.603 17613 13362 1 19 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.564 0.104 17613 13363 1 19 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.330 -0.046 17613 13364 1 19 . 1 1 36 36 ASP H H 36 8.388 8.388 8.750 -0.362 17613 13365 1 19 . 1 1 37 37 GLU N N 37 122.449 122.449 119.730 2.719 17613 13366 1 19 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.147 -0.088 17613 13367 1 19 . 1 1 37 37 GLU C C 37 178.698 178.698 179.022 -0.324 17613 13368 1 19 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.753 0.456 17613 13369 1 19 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.131 0.590 17613 13370 1 19 . 1 1 37 37 GLU H H 37 9.009 9.009 8.429 0.580 17613 13371 1 19 . 1 1 38 38 LEU N N 38 119.580 119.580 121.877 -2.297 17613 13372 1 19 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.982 -0.071 17613 13373 1 19 . 1 1 38 38 LEU C C 38 177.649 177.649 178.443 -0.794 17613 13374 1 19 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.405 0.728 17613 13375 1 19 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.984 -0.915 17613 13376 1 19 . 1 1 38 38 LEU H H 38 8.203 8.203 8.042 0.161 17613 13377 1 19 . 1 1 39 39 LYS N N 39 118.404 118.404 118.892 -0.488 17613 13378 1 19 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.864 -0.023 17613 13379 1 19 . 1 1 39 39 LYS C C 39 179.577 179.577 179.009 0.568 17613 13380 1 19 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.787 0.079 17613 13381 1 19 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.147 -0.099 17613 13382 1 19 . 1 1 39 39 LYS H H 39 7.829 7.829 7.728 0.101 17613 13383 1 19 . 1 1 40 40 LYS N N 40 119.271 119.271 118.546 0.725 17613 13384 1 19 . 1 1 40 40 LYS HA H 40 4.022 4.022 3.932 0.090 17613 13385 1 19 . 1 1 40 40 LYS C C 40 179.577 179.577 179.298 0.279 17613 13386 1 19 . 1 1 40 40 LYS CA C 40 59.590 59.590 59.150 0.440 17613 13387 1 19 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.844 0.556 17613 13388 1 19 . 1 1 40 40 LYS H H 40 7.779 7.779 7.907 -0.128 17613 13389 1 19 . 1 1 41 41 GLU N N 41 119.647 119.647 118.502 1.145 17613 13390 1 19 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.128 0.135 17613 13391 1 19 . 1 1 41 41 GLU C C 41 179.504 179.504 179.216 0.288 17613 13392 1 19 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.727 -0.653 17613 13393 1 19 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.256 -1.010 17613 13394 1 19 . 1 1 41 41 GLU H H 41 8.721 8.721 7.839 0.882 17613 13395 1 19 . 1 1 42 42 MET N N 42 118.114 118.114 118.456 -0.342 17613 13396 1 19 . 1 1 42 42 MET HA H 42 4.383 4.383 4.277 0.106 17613 13397 1 19 . 1 1 42 42 MET C C 42 179.185 179.185 178.680 0.505 17613 13398 1 19 . 1 1 42 42 MET CA C 42 57.054 57.054 57.149 -0.095 17613 13399 1 19 . 1 1 42 42 MET CB C 42 31.254 31.254 31.605 -0.351 17613 13400 1 19 . 1 1 42 42 MET H H 42 8.779 8.779 7.772 1.007 17613 13401 1 19 . 1 1 43 43 LYS N N 43 120.740 120.740 119.519 1.221 17613 13402 1 19 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.059 0.029 17613 13403 1 19 . 1 1 43 43 LYS C C 43 178.187 178.187 179.322 -1.135 17613 13404 1 19 . 1 1 43 43 LYS CA C 43 59.390 59.390 58.651 0.739 17613 13405 1 19 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.700 0.262 17613 13406 1 19 . 1 1 43 43 LYS H H 43 7.499 7.499 8.038 -0.539 17613 13407 1 19 . 1 1 44 44 LYS N N 44 118.269 118.269 119.277 -1.008 17613 13408 1 19 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.276 -0.215 17613 13409 1 19 . 1 1 44 44 LYS C C 44 179.601 179.601 179.232 0.369 17613 13410 1 19 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.326 1.174 17613 13411 1 19 . 1 1 44 44 LYS CB C 44 32.070 32.070 32.020 0.049 17613 13412 1 19 . 1 1 44 44 LYS H H 44 7.445 7.445 7.515 -0.070 17613 13413 1 19 . 1 1 45 45 LEU N N 45 117.785 117.785 118.399 -0.614 17613 13414 1 19 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.043 0.105 17613 13415 1 19 . 1 1 45 45 LEU C C 45 178.357 178.357 179.207 -0.850 17613 13416 1 19 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.879 -0.692 17613 13417 1 19 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.395 0.378 17613 13418 1 19 . 1 1 45 45 LEU H H 45 8.161 8.161 7.966 0.195 17613 13419 1 19 . 1 1 46 46 ALA N N 46 118.538 118.538 119.705 -1.167 17613 13420 1 19 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.385 -0.133 17613 13421 1 19 . 1 1 46 46 ALA C C 46 178.893 178.893 178.493 0.400 17613 13422 1 19 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.592 0.080 17613 13423 1 19 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.907 -0.025 17613 13424 1 19 . 1 1 46 46 ALA H H 46 7.637 7.637 7.418 0.219 17613 13425 1 19 . 1 1 47 47 GLU N N 47 115.492 115.492 117.274 -1.782 17613 13426 1 19 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.160 0.090 17613 13427 1 19 . 1 1 47 47 GLU C C 47 176.478 176.478 176.590 -0.112 17613 13428 1 19 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.481 -0.550 17613 13429 1 19 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.076 0.341 17613 13430 1 19 . 1 1 47 47 GLU H H 47 7.713 7.713 7.786 -0.073 17613 13431 1 19 . 1 1 48 48 GLU N N 48 120.573 120.573 119.233 1.340 17613 13432 1 19 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.499 -0.126 17613 13433 1 19 . 1 1 48 48 GLU C C 48 173.624 173.624 175.799 -2.175 17613 13434 1 19 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.174 0.847 17613 13435 1 19 . 1 1 48 48 GLU CB C 48 29.910 29.910 30.318 -0.408 17613 13436 1 19 . 1 1 48 48 GLU H H 48 7.748 7.748 7.624 0.124 17613 13437 1 19 . 1 1 49 49 LYS N N 49 124.420 124.420 126.280 -1.860 17613 13438 1 19 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.456 -0.138 17613 13439 1 19 . 1 1 49 49 LYS C C 49 176.843 176.843 176.590 0.253 17613 13440 1 19 . 1 1 49 49 LYS CA C 49 56.517 56.517 55.568 0.949 17613 13441 1 19 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.491 -0.029 17613 13442 1 19 . 1 1 49 49 LYS H H 49 8.607 8.607 8.578 0.029 17613 13443 1 19 . 1 1 50 50 ASN N N 50 117.993 117.993 119.053 -1.060 17613 13444 1 19 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.613 0.011 17613 13445 1 19 . 1 1 50 50 ASN C C 50 176.454 176.454 175.477 0.977 17613 13446 1 19 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.576 -0.021 17613 13447 1 19 . 1 1 50 50 ASN CB C 50 39.036 39.036 39.778 -0.742 17613 13448 1 19 . 1 1 50 50 ASN H H 50 8.723 8.723 7.882 0.841 17613 13449 1 19 . 1 1 51 51 PHE N N 51 120.700 120.700 123.548 -2.848 17613 13450 1 19 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.700 0.058 17613 13451 1 19 . 1 1 51 51 PHE CA C 51 57.935 57.935 58.373 -0.438 17613 13452 1 19 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.211 0.764 17613 13453 1 19 . 1 1 51 51 PHE H H 51 8.341 8.341 8.860 -0.519 17613 13454 1 19 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.601 -0.343 17613 13455 1 19 . 1 1 52 52 GLU C C 52 173.600 173.600 175.192 -1.592 17613 13456 1 19 . 1 1 52 52 GLU CA C 52 56.254 56.254 53.972 2.282 17613 13457 1 19 . 1 1 52 52 GLU CB C 52 33.459 33.459 33.221 0.237 17613 13458 1 19 . 1 1 53 53 LYS N N 53 119.964 119.964 126.093 -6.129 17613 13459 1 19 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.604 0.085 17613 13460 1 19 . 1 1 53 53 LYS C C 53 174.430 174.430 175.466 -1.036 17613 13461 1 19 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.781 -0.425 17613 13462 1 19 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.830 -0.385 17613 13463 1 19 . 1 1 53 53 LYS H H 53 7.962 7.962 8.550 -0.588 17613 13464 1 19 . 1 1 54 54 ILE N N 54 124.730 124.730 124.811 -0.081 17613 13465 1 19 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.464 0.382 17613 13466 1 19 . 1 1 54 54 ILE C C 54 173.089 173.089 174.603 -1.514 17613 13467 1 19 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.465 0.798 17613 13468 1 19 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.736 3.217 17613 13469 1 19 . 1 1 54 54 ILE H H 54 8.804 8.804 8.785 0.019 17613 13470 1 19 . 1 1 55 55 LEU N N 55 130.086 130.086 129.659 0.427 17613 13471 1 19 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.108 0.533 17613 13472 1 19 . 1 1 55 55 LEU C C 55 174.430 174.430 175.182 -0.752 17613 13473 1 19 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.689 -0.187 17613 13474 1 19 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.886 0.316 17613 13475 1 19 . 1 1 55 55 LEU H H 55 9.103 9.103 8.545 0.558 17613 13476 1 19 . 1 1 56 56 ILE N N 56 125.983 125.983 126.490 -0.507 17613 13477 1 19 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.764 0.293 17613 13478 1 19 . 1 1 56 56 ILE C C 56 174.089 174.089 175.163 -1.074 17613 13479 1 19 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.655 0.455 17613 13480 1 19 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.404 1.419 17613 13481 1 19 . 1 1 56 56 ILE H H 56 9.182 9.182 8.896 0.286 17613 13482 1 19 . 1 1 57 57 ILE N N 57 127.241 127.241 128.654 -1.413 17613 13483 1 19 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.734 0.178 17613 13484 1 19 . 1 1 57 57 ILE C C 57 174.869 174.869 175.027 -0.158 17613 13485 1 19 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.653 -1.397 17613 13486 1 19 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.524 -0.573 17613 13487 1 19 . 1 1 57 57 ILE H H 57 8.541 8.541 8.780 -0.239 17613 13488 1 19 . 1 1 58 58 SER N N 58 119.270 119.270 121.372 -2.102 17613 13489 1 19 . 1 1 58 58 SER HA H 58 5.007 5.007 5.369 -0.361 17613 13490 1 19 . 1 1 58 58 SER C C 58 174.211 174.211 173.983 0.228 17613 13491 1 19 . 1 1 58 58 SER CA C 58 56.727 56.727 56.439 0.288 17613 13492 1 19 . 1 1 58 58 SER CB C 58 66.615 66.615 65.425 1.190 17613 13493 1 19 . 1 1 58 58 SER H H 58 8.810 8.810 8.234 0.576 17613 13494 1 19 . 1 1 59 59 ASN N N 59 122.382 122.382 124.990 -2.608 17613 13495 1 19 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.737 -0.026 17613 13496 1 19 . 1 1 59 59 ASN C C 59 174.795 174.795 175.102 -0.307 17613 13497 1 19 . 1 1 59 59 ASN CA C 59 52.507 52.507 55.272 -2.765 17613 13498 1 19 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.365 -0.403 17613 13499 1 19 . 1 1 59 59 ASN H H 59 8.794 8.794 8.766 0.028 17613 13500 1 19 . 1 1 60 60 ASP N N 60 119.744 119.744 120.683 -0.939 17613 13501 1 19 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.810 0.053 17613 13502 1 19 . 1 1 60 60 ASP C C 60 176.015 176.015 176.162 -0.147 17613 13503 1 19 . 1 1 60 60 ASP CA C 60 53.097 53.097 53.953 -0.856 17613 13504 1 19 . 1 1 60 60 ASP CB C 60 42.949 42.949 41.808 1.141 17613 13505 1 19 . 1 1 60 60 ASP H H 60 7.857 7.857 7.549 0.308 17613 13506 1 19 . 1 1 61 61 LYS N N 61 125.818 125.818 125.889 -0.071 17613 13507 1 19 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.051 -0.329 17613 13508 1 19 . 1 1 61 61 LYS C C 61 177.673 177.673 177.981 -0.308 17613 13509 1 19 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.208 0.424 17613 13510 1 19 . 1 1 61 61 LYS CB C 61 31.518 31.518 31.963 -0.445 17613 13511 1 19 . 1 1 61 61 LYS H H 61 8.904 8.904 8.710 0.194 17613 13512 1 19 . 1 1 62 62 GLN N N 62 118.918 118.918 120.552 -1.634 17613 13513 1 19 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.068 0.037 17613 13514 1 19 . 1 1 62 62 GLN C C 62 178.747 178.747 177.842 0.905 17613 13515 1 19 . 1 1 62 62 GLN CA C 62 58.301 58.301 59.303 -1.002 17613 13516 1 19 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.196 -0.748 17613 13517 1 19 . 1 1 62 62 GLN H H 62 8.434 8.434 8.223 0.211 17613 13518 1 19 . 1 1 63 63 LEU N N 63 120.071 120.071 119.123 0.948 17613 13519 1 19 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.113 0.021 17613 13520 1 19 . 1 1 63 63 LEU C C 63 178.552 178.552 179.457 -0.905 17613 13521 1 19 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.105 -0.462 17613 13522 1 19 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.401 -0.507 17613 13523 1 19 . 1 1 63 63 LEU H H 63 7.671 7.671 8.098 -0.427 17613 13524 1 19 . 1 1 64 64 LEU N N 64 117.705 117.705 120.934 -3.229 17613 13525 1 19 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.896 0.011 17613 13526 1 19 . 1 1 64 64 LEU C C 64 172.526 172.526 178.181 -5.655 17613 13527 1 19 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.579 -0.801 17613 13528 1 19 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.844 -0.494 17613 13529 1 19 . 1 1 64 64 LEU H H 64 7.626 7.626 8.089 -0.463 17613 13530 1 19 . 1 1 65 65 LYS N N 65 118.311 118.311 118.965 -0.654 17613 13531 1 19 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.892 -0.098 17613 13532 1 19 . 1 1 65 65 LYS C C 65 178.479 178.479 179.014 -0.535 17613 13533 1 19 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.031 0.195 17613 13534 1 19 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.194 0.072 17613 13535 1 19 . 1 1 65 65 LYS H H 65 8.038 8.038 7.771 0.267 17613 13536 1 19 . 1 1 66 66 GLU N N 66 119.362 119.362 118.588 0.774 17613 13537 1 19 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.053 -0.027 17613 13538 1 19 . 1 1 66 66 GLU C C 66 178.893 178.893 179.140 -0.247 17613 13539 1 19 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.738 0.381 17613 13540 1 19 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.175 0.087 17613 13541 1 19 . 1 1 66 66 GLU H H 66 7.803 7.803 7.896 -0.093 17613 13542 1 19 . 1 1 67 67 MET N N 67 118.398 118.398 120.289 -1.891 17613 13543 1 19 . 1 1 67 67 MET HA H 67 3.948 3.948 4.080 -0.132 17613 13544 1 19 . 1 1 67 67 MET C C 67 177.527 177.527 178.227 -0.700 17613 13545 1 19 . 1 1 67 67 MET CA C 67 59.963 59.963 58.279 1.684 17613 13546 1 19 . 1 1 67 67 MET CB C 67 33.443 33.443 32.292 1.151 17613 13547 1 19 . 1 1 67 67 MET H H 67 8.394 8.394 7.875 0.519 17613 13548 1 19 . 1 1 68 68 LEU N N 68 118.269 118.269 118.317 -0.048 17613 13549 1 19 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.657 0.122 17613 13550 1 19 . 1 1 68 68 LEU C C 68 178.869 178.869 179.431 -0.562 17613 13551 1 19 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.770 0.171 17613 13552 1 19 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.023 -0.148 17613 13553 1 19 . 1 1 68 68 LEU H H 68 8.471 8.471 7.956 0.515 17613 13554 1 19 . 1 1 69 69 GLU N N 69 118.681 118.681 118.885 -0.204 17613 13555 1 19 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.040 0.015 17613 13556 1 19 . 1 1 69 69 GLU C C 69 179.063 179.063 179.085 -0.022 17613 13557 1 19 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.238 0.186 17613 13558 1 19 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.603 -0.463 17613 13559 1 19 . 1 1 69 69 GLU H H 69 7.627 7.627 7.869 -0.242 17613 13560 1 19 . 1 1 70 70 LEU N N 70 119.503 119.503 119.964 -0.461 17613 13561 1 19 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.016 0.145 17613 13562 1 19 . 1 1 70 70 LEU C C 70 179.699 179.699 179.144 0.555 17613 13563 1 19 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.814 -0.040 17613 13564 1 19 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.925 0.019 17613 13565 1 19 . 1 1 70 70 LEU H H 70 7.717 7.717 7.787 -0.070 17613 13566 1 19 . 1 1 71 71 ILE N N 71 116.791 116.791 118.803 -2.012 17613 13567 1 19 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.607 0.130 17613 13568 1 19 . 1 1 71 71 ILE C C 71 178.357 178.357 178.017 0.340 17613 13569 1 19 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.115 -0.873 17613 13570 1 19 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.518 0.383 17613 13571 1 19 . 1 1 71 71 ILE H H 71 8.598 8.598 8.094 0.504 17613 13572 1 19 . 1 1 72 72 SER N N 72 116.517 116.517 115.532 0.985 17613 13573 1 19 . 1 1 72 72 SER HA H 72 4.365 4.365 4.167 0.198 17613 13574 1 19 . 1 1 72 72 SER C C 72 176.845 176.845 175.932 0.913 17613 13575 1 19 . 1 1 72 72 SER CA C 72 61.365 61.365 61.808 -0.443 17613 13576 1 19 . 1 1 72 72 SER CB C 72 62.780 62.780 63.235 -0.455 17613 13577 1 19 . 1 1 72 72 SER H H 72 8.023 8.023 8.278 -0.255 17613 13578 1 19 . 1 1 73 73 LYS N N 73 120.731 120.731 119.655 1.076 17613 13579 1 19 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.086 0.205 17613 13580 1 19 . 1 1 73 73 LYS C C 73 177.771 177.771 177.703 0.068 17613 13581 1 19 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.309 -0.833 17613 13582 1 19 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.463 -0.317 17613 13583 1 19 . 1 1 73 73 LYS H H 73 7.723 7.723 7.563 0.160 17613 13584 1 19 . 1 1 74 74 LEU N N 74 117.572 117.572 117.218 0.354 17613 13585 1 19 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.070 0.157 17613 13586 1 19 . 1 1 74 74 LEU C C 74 177.332 177.332 177.229 0.103 17613 13587 1 19 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.150 0.049 17613 13588 1 19 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.352 -0.866 17613 13589 1 19 . 1 1 74 74 LEU H H 74 7.609 7.609 7.239 0.370 17613 13590 1 19 . 1 1 75 75 GLY N N 75 105.991 105.991 105.941 0.050 17613 13591 1 19 . 1 1 75 75 GLY C C 75 174.771 174.771 173.756 1.015 17613 13592 1 19 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.254 0.588 17613 13593 1 19 . 1 1 75 75 GLY H H 75 7.925 7.925 7.852 0.073 17613 13594 1 19 . 1 1 76 76 TYR N N 76 118.452 118.452 117.655 0.797 17613 13595 1 19 . 1 1 76 76 TYR HA H 76 4.778 4.778 5.009 -0.231 17613 13596 1 19 . 1 1 76 76 TYR C C 76 175.234 175.234 175.547 -0.313 17613 13597 1 19 . 1 1 76 76 TYR CA C 76 55.504 55.504 54.997 0.507 17613 13598 1 19 . 1 1 76 76 TYR CB C 76 37.962 37.962 40.771 -2.809 17613 13599 1 19 . 1 1 76 76 TYR H H 76 7.366 7.366 7.327 0.039 17613 13600 1 19 . 1 1 77 77 LYS N N 77 122.866 122.866 123.450 -0.584 17613 13601 1 19 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.354 0.194 17613 13602 1 19 . 1 1 77 77 LYS C C 77 174.138 174.138 175.332 -1.194 17613 13603 1 19 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.596 -0.526 17613 13604 1 19 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.359 -0.142 17613 13605 1 19 . 1 1 77 77 LYS H H 77 8.290 8.290 8.405 -0.115 17613 13606 1 19 . 1 1 78 78 VAL N N 78 124.071 124.071 126.998 -2.927 17613 13607 1 19 . 1 1 78 78 VAL HA H 78 5.166 5.166 5.247 -0.081 17613 13608 1 19 . 1 1 78 78 VAL C C 78 174.162 174.162 174.900 -0.738 17613 13609 1 19 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.107 -0.878 17613 13610 1 19 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.670 0.685 17613 13611 1 19 . 1 1 78 78 VAL H H 78 7.830 7.830 8.306 -0.476 17613 13612 1 19 . 1 1 79 79 PHE N N 79 126.174 126.174 125.394 0.780 17613 13613 1 19 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.430 0.137 17613 13614 1 19 . 1 1 79 79 PHE C C 79 173.357 173.357 174.070 -0.713 17613 13615 1 19 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.445 -0.492 17613 13616 1 19 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.595 -0.411 17613 13617 1 19 . 1 1 79 79 PHE H H 79 8.374 8.374 8.414 -0.040 17613 13618 1 19 . 1 1 80 80 LEU N N 80 123.959 123.959 126.221 -2.262 17613 13619 1 19 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.514 0.032 17613 13620 1 19 . 1 1 80 80 LEU C C 80 173.503 173.503 174.594 -1.091 17613 13621 1 19 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.886 1.112 17613 13622 1 19 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.611 0.056 17613 13623 1 19 . 1 1 80 80 LEU H H 80 8.601 8.601 8.862 -0.261 17613 13624 1 19 . 1 1 81 81 LEU N N 81 126.694 126.694 128.657 -1.963 17613 13625 1 19 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.432 -0.163 17613 13626 1 19 . 1 1 81 81 LEU C C 81 173.649 173.649 174.544 -0.895 17613 13627 1 19 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.225 -0.161 17613 13628 1 19 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.337 0.440 17613 13629 1 19 . 1 1 81 81 LEU H H 81 9.063 9.063 8.757 0.306 17613 13630 1 19 . 1 1 82 82 LEU N N 82 124.888 124.888 127.818 -2.930 17613 13631 1 19 . 1 1 82 82 LEU HA H 82 4.911 4.911 5.015 -0.104 17613 13632 1 19 . 1 1 82 82 LEU C C 82 174.479 174.479 175.123 -0.644 17613 13633 1 19 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.727 -0.592 17613 13634 1 19 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.333 0.889 17613 13635 1 19 . 1 1 82 82 LEU H H 82 8.864 8.864 9.010 -0.146 17613 13636 1 19 . 1 1 83 83 GLN N N 83 122.153 122.153 125.409 -3.256 17613 13637 1 19 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.258 0.002 17613 13638 1 19 . 1 1 83 83 GLN C C 83 174.333 174.333 174.249 0.084 17613 13639 1 19 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.405 0.181 17613 13640 1 19 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.335 -1.465 17613 13641 1 19 . 1 1 83 83 GLN H H 83 8.437 8.437 8.731 -0.294 17613 13642 1 19 . 1 1 84 84 ASP N N 84 124.451 124.451 125.937 -1.486 17613 13643 1 19 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.916 -0.414 17613 13644 1 19 . 1 1 84 84 ASP C C 84 174.308 174.308 175.916 -1.608 17613 13645 1 19 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.162 0.853 17613 13646 1 19 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.276 -0.505 17613 13647 1 19 . 1 1 84 84 ASP H H 84 8.205 8.205 8.221 -0.016 17613 13648 1 19 . 1 1 85 85 GLN N N 85 120.202 120.202 121.100 -0.898 17613 13649 1 19 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.173 0.161 17613 13650 1 19 . 1 1 85 85 GLN C C 85 175.431 175.431 175.600 -0.169 17613 13651 1 19 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.202 -0.607 17613 13652 1 19 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.149 0.185 17613 13653 1 19 . 1 1 85 85 GLN H H 85 8.617 8.617 8.593 0.024 17613 13654 1 19 . 1 1 86 86 ASP N N 86 120.508 120.508 123.074 -2.566 17613 13655 1 19 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.914 -0.229 17613 13656 1 19 . 1 1 86 86 ASP C C 86 175.747 175.747 175.539 0.208 17613 13657 1 19 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.580 -0.068 17613 13658 1 19 . 1 1 86 86 ASP CB C 86 40.957 40.957 41.265 -0.308 17613 13659 1 19 . 1 1 86 86 ASP H H 86 8.691 8.691 8.008 0.683 17613 13660 1 19 . 1 1 87 87 GLU N N 87 123.604 123.604 122.493 1.111 17613 13661 1 19 . 1 1 87 87 GLU HA H 87 4.035 4.035 3.963 0.072 17613 13662 1 19 . 1 1 87 87 GLU C C 87 177.771 177.771 177.492 0.279 17613 13663 1 19 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.405 -0.883 17613 13664 1 19 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.696 -0.121 17613 13665 1 19 . 1 1 87 87 GLU H H 87 8.642 8.642 8.537 0.105 17613 13666 1 19 . 1 1 88 88 ASN N N 88 118.838 118.838 117.811 1.027 17613 13667 1 19 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.407 0.154 17613 13668 1 19 . 1 1 88 88 ASN C C 88 177.089 177.089 177.698 -0.609 17613 13669 1 19 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.437 -0.795 17613 13670 1 19 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.631 0.535 17613 13671 1 19 . 1 1 88 88 ASN H H 88 8.527 8.527 8.499 0.028 17613 13672 1 19 . 1 1 89 89 GLU N N 89 120.947 120.947 120.394 0.553 17613 13673 1 19 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.460 -0.313 17613 13674 1 19 . 1 1 89 89 GLU C C 89 178.357 178.357 178.856 -0.499 17613 13675 1 19 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.130 0.121 17613 13676 1 19 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.499 -0.255 17613 13677 1 19 . 1 1 89 89 GLU H H 89 8.221 8.221 7.716 0.505 17613 13678 1 19 . 1 1 90 90 LEU N N 90 119.582 119.582 122.029 -2.447 17613 13679 1 19 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.111 0.094 17613 13680 1 19 . 1 1 90 90 LEU C C 90 177.917 177.917 178.473 -0.556 17613 13681 1 19 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.039 -1.095 17613 13682 1 19 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.839 0.617 17613 13683 1 19 . 1 1 90 90 LEU H H 90 8.047 8.047 7.881 0.166 17613 13684 1 19 . 1 1 91 91 GLU N N 91 119.029 119.029 119.392 -0.363 17613 13685 1 19 . 1 1 91 91 GLU HA H 91 4.073 4.073 3.940 0.133 17613 13686 1 19 . 1 1 91 91 GLU C C 91 178.284 178.284 178.627 -0.343 17613 13687 1 19 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.921 -0.792 17613 13688 1 19 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.372 -0.402 17613 13689 1 19 . 1 1 91 91 GLU H H 91 7.940 7.940 8.082 -0.142 17613 13690 1 19 . 1 1 92 92 GLU N N 92 118.667 118.667 119.588 -0.921 17613 13691 1 19 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.056 -0.024 17613 13692 1 19 . 1 1 92 92 GLU C C 92 178.103 178.103 179.231 -1.128 17613 13693 1 19 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.109 0.143 17613 13694 1 19 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.655 -0.723 17613 13695 1 19 . 1 1 92 92 GLU H H 92 8.088 8.088 7.610 0.478 17613 13696 1 19 . 1 1 93 93 PHE N N 93 120.118 120.118 119.551 0.567 17613 13697 1 19 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.230 0.110 17613 13698 1 19 . 1 1 93 93 PHE C C 93 176.894 176.894 177.288 -0.394 17613 13699 1 19 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.683 0.762 17613 13700 1 19 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.239 -0.251 17613 13701 1 19 . 1 1 93 93 PHE H H 93 8.103 8.103 8.448 -0.345 17613 13702 1 19 . 1 1 94 94 LYS N N 94 118.941 118.941 120.589 -1.648 17613 13703 1 19 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.900 -0.283 17613 13704 1 19 . 1 1 94 94 LYS C C 94 177.600 177.600 178.922 -1.322 17613 13705 1 19 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.425 0.651 17613 13706 1 19 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.258 0.207 17613 13707 1 19 . 1 1 94 94 LYS H H 94 8.606 8.606 8.091 0.515 17613 13708 1 19 . 1 1 95 95 ARG N N 95 117.194 117.194 117.703 -0.509 17613 13709 1 19 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.031 0.119 17613 13710 1 19 . 1 1 95 95 ARG C C 95 179.404 179.404 178.998 0.406 17613 13711 1 19 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.019 0.084 17613 13712 1 19 . 1 1 95 95 ARG CB C 95 29.819 29.819 30.041 -0.222 17613 13713 1 19 . 1 1 95 95 ARG H H 95 8.159 8.159 8.101 0.058 17613 13714 1 19 . 1 1 96 96 LYS N N 96 119.582 119.582 120.987 -1.405 17613 13715 1 19 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.069 -0.004 17613 13716 1 19 . 1 1 96 96 LYS C C 96 179.034 179.034 178.861 0.173 17613 13717 1 19 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.070 -0.136 17613 13718 1 19 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.047 0.022 17613 13719 1 19 . 1 1 96 96 LYS H H 96 7.786 7.786 7.974 -0.188 17613 13720 1 19 . 1 1 97 97 ILE N N 97 118.550 118.550 117.959 0.591 17613 13721 1 19 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.033 -0.095 17613 13722 1 19 . 1 1 97 97 ILE C C 97 178.284 178.284 177.738 0.546 17613 13723 1 19 . 1 1 97 97 ILE CA C 97 62.569 62.569 64.213 -1.644 17613 13724 1 19 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.804 -0.598 17613 13725 1 19 . 1 1 97 97 ILE H H 97 7.831 7.831 7.331 0.500 17613 13726 1 19 . 1 1 98 98 GLU N N 98 121.984 121.984 121.364 0.620 17613 13727 1 19 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.331 0.005 17613 13728 1 19 . 1 1 98 98 GLU C C 98 180.040 180.040 178.485 1.555 17613 13729 1 19 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.744 0.206 17613 13730 1 19 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.520 -0.085 17613 13731 1 19 . 1 1 98 98 GLU H H 98 8.670 8.670 8.126 0.544 17613 13732 1 19 . 1 1 99 99 SER N N 99 115.499 115.499 114.712 0.787 17613 13733 1 19 . 1 1 99 99 SER HA H 99 4.343 4.343 4.290 0.053 17613 13734 1 19 . 1 1 99 99 SER C C 99 174.820 174.820 176.334 -1.514 17613 13735 1 19 . 1 1 99 99 SER CA C 99 60.410 60.410 60.365 0.045 17613 13736 1 19 . 1 1 99 99 SER CB C 99 62.680 62.680 63.281 -0.600 17613 13737 1 19 . 1 1 99 99 SER H H 99 8.099 8.099 7.653 0.446 17613 13738 1 19 . 1 1 100 100 GLN N N 100 119.301 119.301 119.189 0.112 17613 13739 1 19 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.323 -0.013 17613 13740 1 19 . 1 1 100 100 GLN C C 100 175.857 175.857 175.625 0.232 17613 13741 1 19 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.589 0.337 17613 13742 1 19 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.021 0.191 17613 13743 1 19 . 1 1 100 100 GLN H H 100 7.623 7.623 7.385 0.238 17613 13744 1 19 . 1 1 101 101 GLY N N 101 105.765 105.765 105.768 -0.003 17613 13745 1 19 . 1 1 101 101 GLY C C 101 173.748 173.748 174.039 -0.291 17613 13746 1 19 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.975 0.228 17613 13747 1 19 . 1 1 101 101 GLY H H 101 7.945 7.945 7.428 0.517 17613 13748 1 19 . 1 1 102 102 TYR N N 102 117.993 117.993 117.927 0.066 17613 13749 1 19 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.498 0.174 17613 13750 1 19 . 1 1 102 102 TYR C C 102 174.747 174.747 174.731 0.016 17613 13751 1 19 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.548 -0.294 17613 13752 1 19 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.549 -1.501 17613 13753 1 19 . 1 1 102 102 TYR H H 102 6.890 6.890 7.414 -0.524 17613 13754 1 19 . 1 1 103 103 GLU N N 103 122.864 122.864 123.952 -1.088 17613 13755 1 19 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.388 0.119 17613 13756 1 19 . 1 1 103 103 GLU C C 103 174.162 174.162 174.886 -0.724 17613 13757 1 19 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.867 0.517 17613 13758 1 19 . 1 1 103 103 GLU CB C 103 30.371 30.371 28.865 1.506 17613 13759 1 19 . 1 1 103 103 GLU H H 103 8.318 8.318 8.782 -0.464 17613 13760 1 19 . 1 1 104 104 VAL N N 104 124.342 124.342 126.347 -2.005 17613 13761 1 19 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.719 0.509 17613 13762 1 19 . 1 1 104 104 VAL C C 104 174.235 174.235 175.649 -1.414 17613 13763 1 19 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.079 -1.799 17613 13764 1 19 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.792 1.375 17613 13765 1 19 . 1 1 104 104 VAL H H 104 8.651 8.651 7.928 0.723 17613 13766 1 19 . 1 1 105 105 ARG N N 105 124.856 124.856 128.293 -3.437 17613 13767 1 19 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.850 0.065 17613 13768 1 19 . 1 1 105 105 ARG C C 105 173.917 173.917 175.125 -1.208 17613 13769 1 19 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.066 -0.601 17613 13770 1 19 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.501 -0.546 17613 13771 1 19 . 1 1 105 105 ARG H H 105 8.705 8.705 9.010 -0.305 17613 13772 1 19 . 1 1 106 106 LYS N N 106 121.499 121.499 121.843 -0.344 17613 13773 1 19 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.553 0.025 17613 13774 1 19 . 1 1 106 106 LYS C C 106 174.820 174.820 175.323 -0.503 17613 13775 1 19 . 1 1 106 106 LYS CA C 106 53.868 53.868 54.911 -1.043 17613 13776 1 19 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.949 0.350 17613 13777 1 19 . 1 1 106 106 LYS H H 106 8.807 8.807 8.462 0.345 17613 13778 1 19 . 1 1 107 107 VAL N N 107 118.792 118.792 123.595 -4.803 17613 13779 1 19 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.541 0.074 17613 13780 1 19 . 1 1 107 107 VAL C C 107 173.332 173.332 174.598 -1.266 17613 13781 1 19 . 1 1 107 107 VAL CA C 107 60.222 60.222 59.708 0.514 17613 13782 1 19 . 1 1 107 107 VAL CB C 107 35.234 35.234 36.139 -0.905 17613 13783 1 19 . 1 1 107 107 VAL H H 107 8.555 8.555 8.197 0.358 17613 13784 1 19 . 1 1 108 108 THR N N 108 114.072 114.072 116.493 -2.421 17613 13785 1 19 . 1 1 108 108 THR HA H 108 4.781 4.781 4.559 0.222 17613 13786 1 19 . 1 1 108 108 THR C C 108 174.625 174.625 174.560 0.065 17613 13787 1 19 . 1 1 108 108 THR CA C 108 62.221 62.221 61.759 0.462 17613 13788 1 19 . 1 1 108 108 THR CB C 108 69.975 69.975 70.038 -0.063 17613 13789 1 19 . 1 1 108 108 THR H H 108 8.604 8.604 8.727 -0.123 17613 13790 1 19 . 1 1 109 109 ASP N N 109 122.574 122.574 122.963 -0.389 17613 13791 1 19 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.751 -0.013 17613 13792 1 19 . 1 1 109 109 ASP C C 109 175.796 175.796 177.151 -1.355 17613 13793 1 19 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.270 -0.421 17613 13794 1 19 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.920 0.768 17613 13795 1 19 . 1 1 109 109 ASP H H 109 8.036 8.036 7.826 0.210 17613 13796 1 19 . 1 1 110 110 ASP N N 110 122.852 122.852 122.726 0.126 17613 13797 1 19 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.285 -0.190 17613 13798 1 19 . 1 1 110 110 ASP C C 110 177.527 177.527 177.642 -0.115 17613 13799 1 19 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.425 -0.037 17613 13800 1 19 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.502 -0.202 17613 13801 1 19 . 1 1 110 110 ASP H H 110 8.696 8.696 8.769 -0.073 17613 13802 1 19 . 1 1 111 111 GLU N N 111 119.144 119.144 119.908 -0.764 17613 13803 1 19 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.104 -0.116 17613 13804 1 19 . 1 1 111 111 GLU C C 111 179.942 179.942 179.071 0.871 17613 13805 1 19 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.028 0.329 17613 13806 1 19 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.298 -0.802 17613 13807 1 19 . 1 1 111 111 GLU H H 111 8.213 8.213 8.584 -0.371 17613 13808 1 19 . 1 1 112 112 GLU N N 112 121.400 121.400 119.641 1.759 17613 13809 1 19 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.139 -0.142 17613 13810 1 19 . 1 1 112 112 GLU C C 112 178.430 178.430 177.938 0.492 17613 13811 1 19 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.360 0.389 17613 13812 1 19 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.363 -0.169 17613 13813 1 19 . 1 1 112 112 GLU H H 112 8.234 8.234 8.416 -0.182 17613 13814 1 19 . 1 1 113 113 ALA N N 113 120.316 120.316 122.848 -2.532 17613 13815 1 19 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.007 -0.207 17613 13816 1 19 . 1 1 113 113 ALA C C 113 178.430 178.430 179.784 -1.354 17613 13817 1 19 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.174 0.208 17613 13818 1 19 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.051 0.551 17613 13819 1 19 . 1 1 113 113 ALA H H 113 8.118 8.118 7.768 0.350 17613 13820 1 19 . 1 1 114 114 LEU N N 114 116.901 116.901 117.464 -0.563 17613 13821 1 19 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.807 -0.094 17613 13822 1 19 . 1 1 114 114 LEU C C 114 178.431 178.431 179.250 -0.819 17613 13823 1 19 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.606 0.069 17613 13824 1 19 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.418 -0.482 17613 13825 1 19 . 1 1 114 114 LEU H H 114 7.743 7.743 7.607 0.136 17613 13826 1 19 . 1 1 115 115 LYS N N 115 119.066 119.066 118.250 0.816 17613 13827 1 19 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.951 -0.151 17613 13828 1 19 . 1 1 115 115 LYS C C 115 179.404 179.404 179.125 0.279 17613 13829 1 19 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.426 0.457 17613 13830 1 19 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.154 0.024 17613 13831 1 19 . 1 1 115 115 LYS H H 115 7.617 7.617 7.252 0.365 17613 13832 1 19 . 1 1 116 116 ILE N N 116 120.613 120.613 119.853 0.760 17613 13833 1 19 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.639 -0.179 17613 13834 1 19 . 1 1 116 116 ILE C C 116 177.016 177.016 177.581 -0.565 17613 13835 1 19 . 1 1 116 116 ILE CA C 116 64.122 64.122 63.048 1.074 17613 13836 1 19 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.454 -0.131 17613 13837 1 19 . 1 1 116 116 ILE H H 116 8.004 8.004 8.172 -0.168 17613 13838 1 19 . 1 1 117 117 VAL N N 117 120.234 120.234 120.655 -0.421 17613 13839 1 19 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.634 -0.374 17613 13840 1 19 . 1 1 117 117 VAL C C 117 177.746 177.746 178.251 -0.505 17613 13841 1 19 . 1 1 117 117 VAL CA C 117 67.505 67.505 66.648 0.856 17613 13842 1 19 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.510 0.243 17613 13843 1 19 . 1 1 117 117 VAL H H 117 8.121 8.121 7.817 0.304 17613 13844 1 19 . 1 1 118 118 ARG N N 118 118.415 118.415 119.152 -0.737 17613 13845 1 19 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.914 -0.021 17613 13846 1 19 . 1 1 118 118 ARG C C 118 178.966 178.966 178.895 0.071 17613 13847 1 19 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.615 0.554 17613 13848 1 19 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.751 -0.049 17613 13849 1 19 . 1 1 118 118 ARG H H 118 8.026 8.026 7.836 0.190 17613 13850 1 19 . 1 1 119 119 GLU N N 119 122.419 122.419 120.158 2.261 17613 13851 1 19 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.004 0.023 17613 13852 1 19 . 1 1 119 119 GLU C C 119 179.429 179.429 178.883 0.546 17613 13853 1 19 . 1 1 119 119 GLU CA C 119 59.530 59.530 59.123 0.407 17613 13854 1 19 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.029 -0.068 17613 13855 1 19 . 1 1 119 119 GLU H H 119 7.918 7.918 7.736 0.182 17613 13856 1 19 . 1 1 120 120 PHE N N 120 119.597 119.597 119.140 0.457 17613 13857 1 19 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.904 0.118 17613 13858 1 19 . 1 1 120 120 PHE C C 120 177.698 177.698 178.056 -0.358 17613 13859 1 19 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.049 -3.181 17613 13860 1 19 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.002 -1.249 17613 13861 1 19 . 1 1 120 120 PHE H H 120 8.826 8.826 7.747 1.079 17613 13862 1 19 . 1 1 121 121 MET N N 121 116.596 116.596 117.315 -0.719 17613 13863 1 19 . 1 1 121 121 MET HA H 121 3.931 3.931 3.936 -0.005 17613 13864 1 19 . 1 1 121 121 MET C C 121 179.577 179.577 179.016 0.561 17613 13865 1 19 . 1 1 121 121 MET CA C 121 59.785 59.785 58.396 1.389 17613 13866 1 19 . 1 1 121 121 MET CB C 121 33.643 33.643 32.060 1.583 17613 13867 1 19 . 1 1 121 121 MET H H 121 8.317 8.317 8.367 -0.050 17613 13868 1 19 . 1 1 122 122 GLN N N 122 120.565 120.565 120.788 -0.223 17613 13869 1 19 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.987 0.148 17613 13870 1 19 . 1 1 122 122 GLN C C 122 178.893 178.893 177.933 0.960 17613 13871 1 19 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.329 -0.584 17613 13872 1 19 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.704 -0.684 17613 13873 1 19 . 1 1 122 122 GLN H H 122 8.054 8.054 8.056 -0.002 17613 13874 1 19 . 1 1 123 123 LYS N N 123 121.605 121.605 118.795 2.810 17613 13875 1 19 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.227 -0.202 17613 13876 1 19 . 1 1 123 123 LYS C C 123 179.307 179.307 178.878 0.429 17613 13877 1 19 . 1 1 123 123 LYS CA C 123 59.243 59.243 58.770 0.473 17613 13878 1 19 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.612 -0.306 17613 13879 1 19 . 1 1 123 123 LYS H H 123 8.400 8.400 7.807 0.593 17613 13880 1 19 . 1 1 124 124 ALA N N 124 121.873 121.873 121.137 0.736 17613 13881 1 19 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.347 -0.203 17613 13882 1 19 . 1 1 124 124 ALA C C 124 179.112 179.112 179.665 -0.553 17613 13883 1 19 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.675 -0.022 17613 13884 1 19 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.159 0.775 17613 13885 1 19 . 1 1 124 124 ALA H H 124 8.601 8.601 8.020 0.581 17613 13886 1 19 . 1 1 125 125 GLY N N 125 104.755 104.755 106.553 -1.798 17613 13887 1 19 . 1 1 125 125 GLY C C 125 175.553 175.553 176.115 -0.562 17613 13888 1 19 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.024 -0.733 17613 13889 1 19 . 1 1 125 125 GLY H H 125 7.949 7.949 7.954 -0.005 17613 13890 1 19 . 1 1 126 126 SER N N 126 116.080 116.080 117.063 -0.983 17613 13891 1 19 . 1 1 126 126 SER HA H 126 4.447 4.447 4.098 0.349 17613 13892 1 19 . 1 1 126 126 SER C C 126 175.504 175.504 176.028 -0.524 17613 13893 1 19 . 1 1 126 126 SER CA C 126 59.965 59.965 60.950 -0.985 17613 13894 1 19 . 1 1 126 126 SER CB C 126 63.460 63.460 62.897 0.563 17613 13895 1 19 . 1 1 126 126 SER H H 126 7.861 7.861 7.547 0.314 17613 13896 1 19 . 1 1 127 127 LEU N N 127 122.372 122.372 120.470 1.902 17613 13897 1 19 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.044 0.238 17613 13898 1 19 . 1 1 127 127 LEU C C 127 177.990 177.990 178.515 -0.525 17613 13899 1 19 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.932 -0.715 17613 13900 1 19 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.203 -0.130 17613 13901 1 19 . 1 1 127 127 LEU H H 127 7.882 7.882 7.245 0.637 17613 13902 1 19 . 1 1 128 128 GLU N N 128 119.775 119.775 118.993 0.782 17613 13903 1 19 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.156 -0.248 17613 13904 1 19 . 1 1 128 128 GLU CA C 128 57.611 57.611 57.232 0.379 17613 13905 1 19 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.727 0.103 17613 13906 1 19 . 1 1 128 128 GLU H H 128 8.084 8.084 7.827 0.257 17613 13907 1 19 . 1 1 131 131 HIS N N 131 125.272 125.272 122.149 3.123 17613 13908 1 19 . 1 1 131 131 HIS H H 131 8.059 8.059 7.538 0.521 17613 13909 1 20 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.401 0.425 17613 13910 1 20 . 1 1 3 3 ILE C C 3 173.405 173.405 174.902 -1.497 17613 13911 1 20 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.885 -1.329 17613 13912 1 20 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.748 0.760 17613 13913 1 20 . 1 1 3 3 ILE H H 3 8.444 8.444 8.521 -0.077 17613 13914 1 20 . 1 1 4 4 LEU N N 4 127.785 127.785 126.848 0.937 17613 13915 1 20 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.417 0.042 17613 13916 1 20 . 1 1 4 4 LEU C C 4 174.832 174.832 176.306 -1.474 17613 13917 1 20 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.176 0.165 17613 13918 1 20 . 1 1 4 4 LEU CB C 4 45.313 45.313 44.633 0.680 17613 13919 1 20 . 1 1 4 4 LEU H H 4 9.081 9.081 7.926 1.155 17613 13920 1 20 . 1 1 5 5 ILE N N 5 123.010 123.010 122.154 0.856 17613 13921 1 20 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.881 -0.048 17613 13922 1 20 . 1 1 5 5 ILE C C 5 173.357 173.357 174.920 -1.563 17613 13923 1 20 . 1 1 5 5 ILE CA C 5 60.544 60.544 58.945 1.599 17613 13924 1 20 . 1 1 5 5 ILE CB C 5 39.532 39.532 37.307 2.225 17613 13925 1 20 . 1 1 5 5 ILE H H 5 8.765 8.765 8.142 0.623 17613 13926 1 20 . 1 1 6 6 LEU N N 6 129.320 129.320 129.736 -0.416 17613 13927 1 20 . 1 1 6 6 LEU HA H 6 5.346 5.346 4.994 0.352 17613 13928 1 20 . 1 1 6 6 LEU C C 6 174.795 174.795 175.085 -0.290 17613 13929 1 20 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.411 -0.411 17613 13930 1 20 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.539 0.989 17613 13931 1 20 . 1 1 6 6 LEU H H 6 9.235 9.235 8.543 0.692 17613 13932 1 20 . 1 1 7 7 ILE N N 7 120.746 120.746 124.517 -3.771 17613 13933 1 20 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.805 0.376 17613 13934 1 20 . 1 1 7 7 ILE C C 7 173.819 173.819 173.869 -0.050 17613 13935 1 20 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.297 -2.082 17613 13936 1 20 . 1 1 7 7 ILE CB C 7 40.154 40.154 42.094 -1.940 17613 13937 1 20 . 1 1 7 7 ILE H H 7 8.931 8.931 8.854 0.077 17613 13938 1 20 . 1 1 8 8 ASN N N 8 125.539 125.539 124.642 0.897 17613 13939 1 20 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.936 -0.034 17613 13940 1 20 . 1 1 8 8 ASN C C 8 176.478 176.478 173.718 2.760 17613 13941 1 20 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.896 -0.792 17613 13942 1 20 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.747 0.835 17613 13943 1 20 . 1 1 8 8 ASN H H 8 8.634 8.634 8.868 -0.234 17613 13944 1 20 . 1 1 9 9 THR N N 9 118.493 118.493 121.048 -2.555 17613 13945 1 20 . 1 1 9 9 THR HA H 9 4.739 4.739 4.921 -0.182 17613 13946 1 20 . 1 1 9 9 THR C C 9 170.114 170.114 174.654 -4.540 17613 13947 1 20 . 1 1 9 9 THR CA C 9 60.689 60.689 59.563 1.126 17613 13948 1 20 . 1 1 9 9 THR CB C 9 67.766 67.766 71.336 -3.570 17613 13949 1 20 . 1 1 9 9 THR H H 9 8.044 8.044 7.952 0.092 17613 13950 1 20 . 1 1 10 10 ASN N N 10 123.266 123.266 125.336 -2.070 17613 13951 1 20 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.693 0.274 17613 13952 1 20 . 1 1 10 10 ASN C C 10 174.601 174.601 174.950 -0.349 17613 13953 1 20 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.988 -3.144 17613 13954 1 20 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.163 0.154 17613 13955 1 20 . 1 1 10 10 ASN H H 10 8.440 8.440 8.705 -0.265 17613 13956 1 20 . 1 1 11 11 ASN N N 11 120.920 120.920 119.784 1.136 17613 13957 1 20 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.941 -0.248 17613 13958 1 20 . 1 1 11 11 ASN C C 11 174.333 174.333 174.784 -0.451 17613 13959 1 20 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.808 -0.372 17613 13960 1 20 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.144 -0.795 17613 13961 1 20 . 1 1 11 11 ASN H H 11 8.366 8.366 7.627 0.739 17613 13962 1 20 . 1 1 12 12 ASP N N 12 126.315 126.315 123.692 2.623 17613 13963 1 20 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.226 0.047 17613 13964 1 20 . 1 1 12 12 ASP C C 12 178.089 178.089 177.533 0.556 17613 13965 1 20 . 1 1 12 12 ASP CA C 12 57.608 57.608 58.153 -0.545 17613 13966 1 20 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.889 0.272 17613 13967 1 20 . 1 1 12 12 ASP H H 12 8.586 8.586 8.904 -0.318 17613 13968 1 20 . 1 1 13 13 GLU N N 13 119.325 119.325 119.840 -0.515 17613 13969 1 20 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.053 -0.027 17613 13970 1 20 . 1 1 13 13 GLU C C 13 178.893 178.893 178.529 0.364 17613 13971 1 20 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.155 -0.149 17613 13972 1 20 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.386 -0.677 17613 13973 1 20 . 1 1 13 13 GLU H H 13 8.289 8.289 8.437 -0.148 17613 13974 1 20 . 1 1 14 14 LEU N N 14 121.683 121.683 119.136 2.547 17613 13975 1 20 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.144 -0.159 17613 13976 1 20 . 1 1 14 14 LEU C C 14 178.309 178.309 179.291 -0.982 17613 13977 1 20 . 1 1 14 14 LEU CA C 14 57.261 57.261 56.986 0.275 17613 13978 1 20 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.781 -0.676 17613 13979 1 20 . 1 1 14 14 LEU H H 14 7.577 7.577 7.555 0.022 17613 13980 1 20 . 1 1 15 15 ILE N N 15 119.483 119.483 120.183 -0.700 17613 13981 1 20 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.534 -0.315 17613 13982 1 20 . 1 1 15 15 ILE C C 15 177.138 177.138 177.630 -0.492 17613 13983 1 20 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.845 0.745 17613 13984 1 20 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.480 -0.056 17613 13985 1 20 . 1 1 15 15 ILE H H 15 8.238 8.238 7.588 0.650 17613 13986 1 20 . 1 1 16 16 LYS N N 16 117.596 117.596 118.629 -1.033 17613 13987 1 20 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.042 -0.199 17613 13988 1 20 . 1 1 16 16 LYS C C 16 179.577 179.577 179.087 0.490 17613 13989 1 20 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.138 1.031 17613 13990 1 20 . 1 1 16 16 LYS CB C 16 32.164 32.164 32.000 0.164 17613 13991 1 20 . 1 1 16 16 LYS H H 16 7.604 7.604 7.549 0.055 17613 13992 1 20 . 1 1 17 17 LYS N N 17 118.832 118.832 120.269 -1.437 17613 13993 1 20 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.072 -0.080 17613 13994 1 20 . 1 1 17 17 LYS C C 17 179.380 179.380 178.842 0.538 17613 13995 1 20 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.545 0.294 17613 13996 1 20 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.476 0.589 17613 13997 1 20 . 1 1 17 17 LYS H H 17 7.583 7.583 7.734 -0.151 17613 13998 1 20 . 1 1 18 18 ILE N N 18 120.961 120.961 120.005 0.956 17613 13999 1 20 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.645 -0.273 17613 14000 1 20 . 1 1 18 18 ILE C C 18 176.967 176.967 177.744 -0.777 17613 14001 1 20 . 1 1 18 18 ILE CA C 18 65.474 65.474 64.836 0.638 17613 14002 1 20 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.626 -0.070 17613 14003 1 20 . 1 1 18 18 ILE H H 18 8.785 8.785 7.975 0.810 17613 14004 1 20 . 1 1 19 19 LYS N N 19 118.324 118.324 119.642 -1.318 17613 14005 1 20 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.919 -0.239 17613 14006 1 20 . 1 1 19 19 LYS C C 19 177.746 177.746 179.153 -1.407 17613 14007 1 20 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.906 0.947 17613 14008 1 20 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.086 0.240 17613 14009 1 20 . 1 1 19 19 LYS H H 19 8.532 8.532 7.913 0.619 17613 14010 1 20 . 1 1 20 20 LYS N N 20 116.284 116.284 118.593 -2.309 17613 14011 1 20 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.188 -0.101 17613 14012 1 20 . 1 1 20 20 LYS C C 20 178.406 178.406 179.241 -0.835 17613 14013 1 20 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.342 0.197 17613 14014 1 20 . 1 1 20 20 LYS CB C 20 31.981 31.981 32.072 -0.091 17613 14015 1 20 . 1 1 20 20 LYS H H 20 7.303 7.303 7.554 -0.251 17613 14016 1 20 . 1 1 21 21 GLU N N 21 118.488 118.488 119.168 -0.680 17613 14017 1 20 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.056 -0.093 17613 14018 1 20 . 1 1 21 21 GLU C C 21 179.088 179.088 179.138 -0.050 17613 14019 1 20 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.151 -0.257 17613 14020 1 20 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.420 0.014 17613 14021 1 20 . 1 1 21 21 GLU H H 21 7.665 7.665 7.973 -0.308 17613 14022 1 20 . 1 1 22 22 VAL N N 22 109.032 109.032 112.525 -3.493 17613 14023 1 20 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.216 -0.084 17613 14024 1 20 . 1 1 22 22 VAL CA C 22 62.799 62.799 64.165 -1.366 17613 14025 1 20 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.381 -2.552 17613 14026 1 20 . 1 1 22 22 VAL H H 22 8.037 8.037 7.699 0.338 17613 14027 1 20 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.673 0.044 17613 14028 1 20 . 1 1 24 24 ASN CA C 24 58.808 58.808 54.801 4.007 17613 14029 1 20 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.667 -0.496 17613 14030 1 20 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.646 0.000 17613 14031 1 20 . 1 1 25 25 GLN C C 25 175.692 175.692 176.343 -0.651 17613 14032 1 20 . 1 1 25 25 GLN CB C 25 29.018 29.018 29.352 -0.334 17613 14033 1 20 . 1 1 26 26 GLY N N 26 106.368 106.368 106.774 -0.406 17613 14034 1 20 . 1 1 26 26 GLY C C 26 174.382 174.382 174.412 -0.030 17613 14035 1 20 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.413 0.544 17613 14036 1 20 . 1 1 26 26 GLY H H 26 8.020 8.020 7.671 0.349 17613 14037 1 20 . 1 1 27 27 TYR N N 27 119.082 119.082 119.612 -0.530 17613 14038 1 20 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.702 -0.269 17613 14039 1 20 . 1 1 27 27 TYR C C 27 174.528 174.528 175.418 -0.890 17613 14040 1 20 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.565 0.489 17613 14041 1 20 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.218 -0.212 17613 14042 1 20 . 1 1 27 27 TYR H H 27 7.845 7.845 7.828 0.017 17613 14043 1 20 . 1 1 28 28 GLN N N 28 120.362 120.362 124.171 -3.809 17613 14044 1 20 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.418 0.081 17613 14045 1 20 . 1 1 28 28 GLN C C 28 174.625 174.625 175.402 -0.777 17613 14046 1 20 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.287 -0.907 17613 14047 1 20 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.168 2.287 17613 14048 1 20 . 1 1 28 28 GLN H H 28 8.338 8.338 8.705 -0.367 17613 14049 1 20 . 1 1 29 29 VAL N N 29 123.482 123.482 126.278 -2.796 17613 14050 1 20 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.278 0.765 17613 14051 1 20 . 1 1 29 29 VAL C C 29 175.820 175.820 176.301 -0.481 17613 14052 1 20 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.824 -1.336 17613 14053 1 20 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.227 0.246 17613 14054 1 20 . 1 1 29 29 VAL H H 29 8.776 8.776 8.477 0.299 17613 14055 1 20 . 1 1 30 30 ARG N N 30 127.787 127.787 127.133 0.654 17613 14056 1 20 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.806 -0.066 17613 14057 1 20 . 1 1 30 30 ARG C C 30 173.332 173.332 174.139 -0.807 17613 14058 1 20 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.431 0.357 17613 14059 1 20 . 1 1 30 30 ARG CB C 30 32.391 32.391 33.711 -1.319 17613 14060 1 20 . 1 1 30 30 ARG H H 30 9.135 9.135 8.940 0.195 17613 14061 1 20 . 1 1 31 31 ASP N N 31 121.895 121.895 120.187 1.708 17613 14062 1 20 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.720 -0.510 17613 14063 1 20 . 1 1 31 31 ASP C C 31 175.282 175.282 174.923 0.359 17613 14064 1 20 . 1 1 31 31 ASP CA C 31 53.370 53.370 52.550 0.820 17613 14065 1 20 . 1 1 31 31 ASP CB C 31 42.722 42.722 43.720 -0.998 17613 14066 1 20 . 1 1 31 31 ASP H H 31 8.377 8.377 8.405 -0.028 17613 14067 1 20 . 1 1 32 32 VAL N N 32 120.426 120.426 120.878 -0.452 17613 14068 1 20 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.328 -0.080 17613 14069 1 20 . 1 1 32 32 VAL C C 32 174.114 174.114 174.707 -0.593 17613 14070 1 20 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.374 0.183 17613 14071 1 20 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.995 -0.111 17613 14072 1 20 . 1 1 32 32 VAL H H 32 8.441 8.441 8.562 -0.121 17613 14073 1 20 . 1 1 33 33 ASN N N 33 122.700 122.700 123.456 -0.756 17613 14074 1 20 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.916 0.061 17613 14075 1 20 . 1 1 33 33 ASN C C 33 174.235 174.235 174.290 -0.055 17613 14076 1 20 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.349 0.047 17613 14077 1 20 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.326 0.543 17613 14078 1 20 . 1 1 33 33 ASN H H 33 9.550 9.550 8.883 0.667 17613 14079 1 20 . 1 1 34 34 ASP N N 34 114.885 114.885 118.369 -3.484 17613 14080 1 20 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.847 -0.144 17613 14081 1 20 . 1 1 34 34 ASP C C 34 175.626 175.626 176.004 -0.378 17613 14082 1 20 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.779 0.704 17613 14083 1 20 . 1 1 34 34 ASP CB C 34 42.396 42.396 42.910 -0.513 17613 14084 1 20 . 1 1 34 34 ASP H H 34 7.616 7.616 7.926 -0.310 17613 14085 1 20 . 1 1 35 35 SER N N 35 114.381 114.381 118.539 -4.158 17613 14086 1 20 . 1 1 35 35 SER HA H 35 4.046 4.046 4.143 -0.097 17613 14087 1 20 . 1 1 35 35 SER C C 35 175.991 175.991 176.175 -0.184 17613 14088 1 20 . 1 1 35 35 SER CA C 35 61.446 61.446 61.207 0.239 17613 14089 1 20 . 1 1 35 35 SER CB C 35 62.764 62.764 63.300 -0.536 17613 14090 1 20 . 1 1 35 35 SER H H 35 8.869 8.869 8.690 0.179 17613 14091 1 20 . 1 1 36 36 ASP N N 36 124.695 124.695 121.551 3.144 17613 14092 1 20 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.343 0.176 17613 14093 1 20 . 1 1 36 36 ASP C C 36 179.136 179.136 178.191 0.945 17613 14094 1 20 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.683 -0.015 17613 14095 1 20 . 1 1 36 36 ASP CB C 36 40.284 40.284 41.052 -0.768 17613 14096 1 20 . 1 1 36 36 ASP H H 36 8.388 8.388 8.181 0.207 17613 14097 1 20 . 1 1 37 37 GLU N N 37 122.449 122.449 119.168 3.281 17613 14098 1 20 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.037 0.022 17613 14099 1 20 . 1 1 37 37 GLU C C 37 178.698 178.698 179.025 -0.327 17613 14100 1 20 . 1 1 37 37 GLU CA C 37 59.209 59.209 59.042 0.167 17613 14101 1 20 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.230 0.491 17613 14102 1 20 . 1 1 37 37 GLU H H 37 9.009 9.009 7.615 1.394 17613 14103 1 20 . 1 1 38 38 LEU N N 38 119.580 119.580 121.777 -2.197 17613 14104 1 20 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.977 -0.066 17613 14105 1 20 . 1 1 38 38 LEU C C 38 177.649 177.649 178.232 -0.583 17613 14106 1 20 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.652 0.481 17613 14107 1 20 . 1 1 38 38 LEU CB C 38 41.069 41.069 41.956 -0.887 17613 14108 1 20 . 1 1 38 38 LEU H H 38 8.203 8.203 7.942 0.261 17613 14109 1 20 . 1 1 39 39 LYS N N 39 118.404 118.404 118.477 -0.073 17613 14110 1 20 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.897 -0.056 17613 14111 1 20 . 1 1 39 39 LYS C C 39 179.577 179.577 179.229 0.348 17613 14112 1 20 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.813 0.053 17613 14113 1 20 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.157 -0.109 17613 14114 1 20 . 1 1 39 39 LYS H H 39 7.829 7.829 7.749 0.080 17613 14115 1 20 . 1 1 40 40 LYS N N 40 119.271 119.271 118.794 0.477 17613 14116 1 20 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.086 -0.064 17613 14117 1 20 . 1 1 40 40 LYS C C 40 179.577 179.577 179.790 -0.213 17613 14118 1 20 . 1 1 40 40 LYS CA C 40 59.590 59.590 58.838 0.752 17613 14119 1 20 . 1 1 40 40 LYS CB C 40 32.400 32.400 31.963 0.437 17613 14120 1 20 . 1 1 40 40 LYS H H 40 7.779 7.779 7.825 -0.046 17613 14121 1 20 . 1 1 41 41 GLU N N 41 119.647 119.647 118.426 1.221 17613 14122 1 20 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.307 -0.044 17613 14123 1 20 . 1 1 41 41 GLU C C 41 179.504 179.504 178.598 0.906 17613 14124 1 20 . 1 1 41 41 GLU CA C 41 58.074 58.074 57.422 0.652 17613 14125 1 20 . 1 1 41 41 GLU CB C 41 28.246 28.246 28.907 -0.661 17613 14126 1 20 . 1 1 41 41 GLU H H 41 8.721 8.721 7.868 0.853 17613 14127 1 20 . 1 1 42 42 MET N N 42 118.114 118.114 118.910 -0.796 17613 14128 1 20 . 1 1 42 42 MET HA H 42 4.383 4.383 4.174 0.209 17613 14129 1 20 . 1 1 42 42 MET C C 42 179.185 179.185 178.238 0.947 17613 14130 1 20 . 1 1 42 42 MET CA C 42 57.054 57.054 56.736 0.318 17613 14131 1 20 . 1 1 42 42 MET CB C 42 31.254 31.254 31.541 -0.287 17613 14132 1 20 . 1 1 42 42 MET H H 42 8.779 8.779 8.198 0.581 17613 14133 1 20 . 1 1 43 43 LYS N N 43 120.740 120.740 119.596 1.144 17613 14134 1 20 . 1 1 43 43 LYS HA H 43 4.088 4.088 3.961 0.127 17613 14135 1 20 . 1 1 43 43 LYS C C 43 178.187 178.187 178.970 -0.783 17613 14136 1 20 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.665 -0.275 17613 14137 1 20 . 1 1 43 43 LYS CB C 43 31.962 31.962 32.110 -0.148 17613 14138 1 20 . 1 1 43 43 LYS H H 43 7.499 7.499 7.872 -0.373 17613 14139 1 20 . 1 1 44 44 LYS N N 44 118.269 118.269 118.746 -0.477 17613 14140 1 20 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.120 -0.059 17613 14141 1 20 . 1 1 44 44 LYS C C 44 179.601 179.601 179.133 0.468 17613 14142 1 20 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.385 1.115 17613 14143 1 20 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.822 0.248 17613 14144 1 20 . 1 1 44 44 LYS H H 44 7.445 7.445 7.406 0.039 17613 14145 1 20 . 1 1 45 45 LEU N N 45 117.785 117.785 117.550 0.235 17613 14146 1 20 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.122 0.026 17613 14147 1 20 . 1 1 45 45 LEU C C 45 178.357 178.357 178.256 0.101 17613 14148 1 20 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.148 0.039 17613 14149 1 20 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.452 0.321 17613 14150 1 20 . 1 1 45 45 LEU H H 45 8.161 8.161 7.721 0.440 17613 14151 1 20 . 1 1 46 46 ALA N N 46 118.538 118.538 120.179 -1.641 17613 14152 1 20 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.391 -0.139 17613 14153 1 20 . 1 1 46 46 ALA C C 46 178.893 178.893 178.969 -0.076 17613 14154 1 20 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.293 0.379 17613 14155 1 20 . 1 1 46 46 ALA CB C 46 18.882 18.882 19.259 -0.377 17613 14156 1 20 . 1 1 46 46 ALA H H 46 7.637 7.637 7.483 0.154 17613 14157 1 20 . 1 1 47 47 GLU N N 47 115.492 115.492 118.650 -3.158 17613 14158 1 20 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.278 -0.028 17613 14159 1 20 . 1 1 47 47 GLU C C 47 176.478 176.478 177.623 -1.145 17613 14160 1 20 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.770 -0.839 17613 14161 1 20 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.457 -0.041 17613 14162 1 20 . 1 1 47 47 GLU H H 47 7.713 7.713 8.084 -0.371 17613 14163 1 20 . 1 1 48 48 GLU N N 48 120.573 120.573 120.725 -0.152 17613 14164 1 20 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.237 0.136 17613 14165 1 20 . 1 1 48 48 GLU C C 48 173.624 173.624 176.669 -3.045 17613 14166 1 20 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.857 0.164 17613 14167 1 20 . 1 1 48 48 GLU CB C 48 29.910 29.910 28.050 1.860 17613 14168 1 20 . 1 1 48 48 GLU H H 48 7.748 7.748 8.101 -0.353 17613 14169 1 20 . 1 1 49 49 LYS N N 49 124.420 124.420 123.624 0.796 17613 14170 1 20 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.062 0.256 17613 14171 1 20 . 1 1 49 49 LYS C C 49 176.843 176.843 176.478 0.365 17613 14172 1 20 . 1 1 49 49 LYS CA C 49 56.517 56.517 57.415 -0.898 17613 14173 1 20 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.547 -0.084 17613 14174 1 20 . 1 1 49 49 LYS H H 49 8.607 8.607 8.180 0.427 17613 14175 1 20 . 1 1 50 50 ASN N N 50 117.993 117.993 119.080 -1.087 17613 14176 1 20 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.666 -0.042 17613 14177 1 20 . 1 1 50 50 ASN C C 50 176.454 176.454 175.137 1.317 17613 14178 1 20 . 1 1 50 50 ASN CA C 50 53.555 53.555 53.409 0.146 17613 14179 1 20 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.492 0.544 17613 14180 1 20 . 1 1 50 50 ASN H H 50 8.723 8.723 8.091 0.632 17613 14181 1 20 . 1 1 51 51 PHE N N 51 120.700 120.700 118.240 2.460 17613 14182 1 20 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.730 0.028 17613 14183 1 20 . 1 1 51 51 PHE CA C 51 57.935 57.935 55.665 2.270 17613 14184 1 20 . 1 1 51 51 PHE CB C 51 38.975 38.975 37.296 1.679 17613 14185 1 20 . 1 1 51 51 PHE H H 51 8.341 8.341 8.765 -0.424 17613 14186 1 20 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.190 0.068 17613 14187 1 20 . 1 1 52 52 GLU C C 52 173.600 173.600 176.375 -2.775 17613 14188 1 20 . 1 1 52 52 GLU CA C 52 56.254 56.254 55.362 0.892 17613 14189 1 20 . 1 1 52 52 GLU CB C 52 33.459 33.459 30.847 2.612 17613 14190 1 20 . 1 1 53 53 LYS N N 53 119.964 119.964 127.445 -7.481 17613 14191 1 20 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.517 0.172 17613 14192 1 20 . 1 1 53 53 LYS C C 53 174.430 174.430 175.380 -0.950 17613 14193 1 20 . 1 1 53 53 LYS CA C 53 55.356 55.356 54.240 1.116 17613 14194 1 20 . 1 1 53 53 LYS CB C 53 31.445 31.445 30.911 0.534 17613 14195 1 20 . 1 1 53 53 LYS H H 53 7.962 7.962 8.227 -0.265 17613 14196 1 20 . 1 1 54 54 ILE N N 54 124.730 124.730 124.624 0.106 17613 14197 1 20 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.563 0.283 17613 14198 1 20 . 1 1 54 54 ILE C C 54 173.089 173.089 174.878 -1.789 17613 14199 1 20 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.825 0.439 17613 14200 1 20 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.413 3.540 17613 14201 1 20 . 1 1 54 54 ILE H H 54 8.804 8.804 8.192 0.612 17613 14202 1 20 . 1 1 55 55 LEU N N 55 130.086 130.086 129.043 1.043 17613 14203 1 20 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.082 0.559 17613 14204 1 20 . 1 1 55 55 LEU C C 55 174.430 174.430 174.704 -0.274 17613 14205 1 20 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.569 -0.067 17613 14206 1 20 . 1 1 55 55 LEU CB C 55 45.202 45.202 45.635 -0.433 17613 14207 1 20 . 1 1 55 55 LEU H H 55 9.103 9.103 8.717 0.386 17613 14208 1 20 . 1 1 56 56 ILE N N 56 125.983 125.983 125.907 0.076 17613 14209 1 20 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.756 0.301 17613 14210 1 20 . 1 1 56 56 ILE C C 56 174.089 174.089 174.920 -0.831 17613 14211 1 20 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.602 0.508 17613 14212 1 20 . 1 1 56 56 ILE CB C 56 39.823 39.823 39.186 0.637 17613 14213 1 20 . 1 1 56 56 ILE H H 56 9.182 9.182 8.335 0.847 17613 14214 1 20 . 1 1 57 57 ILE N N 57 127.241 127.241 127.571 -0.330 17613 14215 1 20 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.825 0.087 17613 14216 1 20 . 1 1 57 57 ILE C C 57 174.869 174.869 174.837 0.032 17613 14217 1 20 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.232 -0.977 17613 14218 1 20 . 1 1 57 57 ILE CB C 57 38.951 38.951 40.128 -1.177 17613 14219 1 20 . 1 1 57 57 ILE H H 57 8.541 8.541 8.872 -0.331 17613 14220 1 20 . 1 1 58 58 SER N N 58 119.270 119.270 120.909 -1.639 17613 14221 1 20 . 1 1 58 58 SER HA H 58 5.007 5.007 5.342 -0.335 17613 14222 1 20 . 1 1 58 58 SER C C 58 174.211 174.211 174.408 -0.197 17613 14223 1 20 . 1 1 58 58 SER CA C 58 56.727 56.727 55.727 1.000 17613 14224 1 20 . 1 1 58 58 SER CB C 58 66.615 66.615 65.417 1.198 17613 14225 1 20 . 1 1 58 58 SER H H 58 8.810 8.810 8.785 0.025 17613 14226 1 20 . 1 1 59 59 ASN N N 59 122.382 122.382 124.731 -2.349 17613 14227 1 20 . 1 1 59 59 ASN HA H 59 4.711 4.711 5.140 -0.429 17613 14228 1 20 . 1 1 59 59 ASN C C 59 174.795 174.795 174.573 0.222 17613 14229 1 20 . 1 1 59 59 ASN CA C 59 52.507 52.507 53.136 -0.629 17613 14230 1 20 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.149 -0.187 17613 14231 1 20 . 1 1 59 59 ASN H H 59 8.794 8.794 8.782 0.012 17613 14232 1 20 . 1 1 60 60 ASP N N 60 119.744 119.744 120.720 -0.976 17613 14233 1 20 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.873 -0.010 17613 14234 1 20 . 1 1 60 60 ASP C C 60 176.015 176.015 176.242 -0.227 17613 14235 1 20 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.635 0.463 17613 14236 1 20 . 1 1 60 60 ASP CB C 60 42.949 42.949 43.527 -0.578 17613 14237 1 20 . 1 1 60 60 ASP H H 60 7.857 7.857 7.493 0.364 17613 14238 1 20 . 1 1 61 61 LYS N N 61 125.818 125.818 125.656 0.162 17613 14239 1 20 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.097 -0.375 17613 14240 1 20 . 1 1 61 61 LYS C C 61 177.673 177.673 178.100 -0.427 17613 14241 1 20 . 1 1 61 61 LYS CA C 61 59.632 59.632 58.978 0.654 17613 14242 1 20 . 1 1 61 61 LYS CB C 61 31.518 31.518 31.956 -0.438 17613 14243 1 20 . 1 1 61 61 LYS H H 61 8.904 8.904 8.693 0.211 17613 14244 1 20 . 1 1 62 62 GLN N N 62 118.918 118.918 120.808 -1.890 17613 14245 1 20 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.156 -0.051 17613 14246 1 20 . 1 1 62 62 GLN C C 62 178.747 178.747 178.089 0.658 17613 14247 1 20 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.427 -0.126 17613 14248 1 20 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.110 -0.662 17613 14249 1 20 . 1 1 62 62 GLN H H 62 8.434 8.434 7.753 0.681 17613 14250 1 20 . 1 1 63 63 LEU N N 63 120.071 120.071 119.927 0.144 17613 14251 1 20 . 1 1 63 63 LEU HA H 63 4.134 4.134 3.989 0.145 17613 14252 1 20 . 1 1 63 63 LEU C C 63 178.552 178.552 178.889 -0.337 17613 14253 1 20 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.711 -1.068 17613 14254 1 20 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.597 -0.703 17613 14255 1 20 . 1 1 63 63 LEU H H 63 7.671 7.671 8.122 -0.451 17613 14256 1 20 . 1 1 64 64 LEU N N 64 117.705 117.705 120.013 -2.308 17613 14257 1 20 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.959 -0.052 17613 14258 1 20 . 1 1 64 64 LEU C C 64 172.526 172.526 178.480 -5.954 17613 14259 1 20 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.181 -0.403 17613 14260 1 20 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.853 -0.503 17613 14261 1 20 . 1 1 64 64 LEU H H 64 7.626 7.626 7.617 0.009 17613 14262 1 20 . 1 1 65 65 LYS N N 65 118.311 118.311 118.954 -0.643 17613 14263 1 20 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.910 -0.116 17613 14264 1 20 . 1 1 65 65 LYS C C 65 178.479 178.479 179.075 -0.596 17613 14265 1 20 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.067 0.159 17613 14266 1 20 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.204 0.062 17613 14267 1 20 . 1 1 65 65 LYS H H 65 8.038 8.038 7.739 0.299 17613 14268 1 20 . 1 1 66 66 GLU N N 66 119.362 119.362 118.878 0.484 17613 14269 1 20 . 1 1 66 66 GLU HA H 66 4.026 4.026 3.995 0.031 17613 14270 1 20 . 1 1 66 66 GLU C C 66 178.893 178.893 178.934 -0.041 17613 14271 1 20 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.922 0.197 17613 14272 1 20 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.151 0.111 17613 14273 1 20 . 1 1 66 66 GLU H H 66 7.803 7.803 7.838 -0.035 17613 14274 1 20 . 1 1 67 67 MET N N 67 118.398 118.398 120.407 -2.009 17613 14275 1 20 . 1 1 67 67 MET HA H 67 3.948 3.948 4.122 -0.174 17613 14276 1 20 . 1 1 67 67 MET C C 67 177.527 177.527 178.415 -0.888 17613 14277 1 20 . 1 1 67 67 MET CA C 67 59.963 59.963 59.302 0.661 17613 14278 1 20 . 1 1 67 67 MET CB C 67 33.443 33.443 32.749 0.694 17613 14279 1 20 . 1 1 67 67 MET H H 67 8.394 8.394 8.134 0.260 17613 14280 1 20 . 1 1 68 68 LEU N N 68 118.269 118.269 117.747 0.522 17613 14281 1 20 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.939 -0.160 17613 14282 1 20 . 1 1 68 68 LEU C C 68 178.869 178.869 179.370 -0.501 17613 14283 1 20 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.257 0.685 17613 14284 1 20 . 1 1 68 68 LEU CB C 68 40.875 40.875 40.957 -0.082 17613 14285 1 20 . 1 1 68 68 LEU H H 68 8.471 8.471 7.859 0.612 17613 14286 1 20 . 1 1 69 69 GLU N N 69 118.681 118.681 120.493 -1.812 17613 14287 1 20 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.095 -0.040 17613 14288 1 20 . 1 1 69 69 GLU C C 69 179.063 179.063 179.457 -0.394 17613 14289 1 20 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.494 -0.070 17613 14290 1 20 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.243 -0.103 17613 14291 1 20 . 1 1 69 69 GLU H H 69 7.627 7.627 7.997 -0.370 17613 14292 1 20 . 1 1 70 70 LEU N N 70 119.503 119.503 120.310 -0.807 17613 14293 1 20 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.069 0.092 17613 14294 1 20 . 1 1 70 70 LEU C C 70 179.699 179.699 179.436 0.263 17613 14295 1 20 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.797 -0.023 17613 14296 1 20 . 1 1 70 70 LEU CB C 70 41.944 41.944 41.898 0.046 17613 14297 1 20 . 1 1 70 70 LEU H H 70 7.717 7.717 7.856 -0.139 17613 14298 1 20 . 1 1 71 71 ILE N N 71 116.791 116.791 118.625 -1.834 17613 14299 1 20 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.752 -0.015 17613 14300 1 20 . 1 1 71 71 ILE C C 71 178.357 178.357 177.963 0.394 17613 14301 1 20 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.190 -0.948 17613 14302 1 20 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.852 0.049 17613 14303 1 20 . 1 1 71 71 ILE H H 71 8.598 8.598 8.444 0.154 17613 14304 1 20 . 1 1 72 72 SER N N 72 116.517 116.517 115.431 1.086 17613 14305 1 20 . 1 1 72 72 SER HA H 72 4.365 4.365 4.213 0.152 17613 14306 1 20 . 1 1 72 72 SER C C 72 176.845 176.845 176.450 0.395 17613 14307 1 20 . 1 1 72 72 SER CA C 72 61.365 61.365 61.682 -0.317 17613 14308 1 20 . 1 1 72 72 SER CB C 72 62.780 62.780 63.163 -0.383 17613 14309 1 20 . 1 1 72 72 SER H H 72 8.023 8.023 7.998 0.025 17613 14310 1 20 . 1 1 73 73 LYS N N 73 120.731 120.731 120.586 0.145 17613 14311 1 20 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.091 0.200 17613 14312 1 20 . 1 1 73 73 LYS C C 73 177.771 177.771 178.157 -0.386 17613 14313 1 20 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.058 -0.582 17613 14314 1 20 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.046 0.100 17613 14315 1 20 . 1 1 73 73 LYS H H 73 7.723 7.723 7.496 0.227 17613 14316 1 20 . 1 1 74 74 LEU N N 74 117.572 117.572 117.369 0.203 17613 14317 1 20 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.132 0.095 17613 14318 1 20 . 1 1 74 74 LEU C C 74 177.332 177.332 177.380 -0.048 17613 14319 1 20 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.529 -0.330 17613 14320 1 20 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.558 -1.072 17613 14321 1 20 . 1 1 74 74 LEU H H 74 7.609 7.609 7.415 0.194 17613 14322 1 20 . 1 1 75 75 GLY N N 75 105.991 105.991 106.169 -0.178 17613 14323 1 20 . 1 1 75 75 GLY C C 75 174.771 174.771 173.862 0.909 17613 14324 1 20 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.050 0.792 17613 14325 1 20 . 1 1 75 75 GLY H H 75 7.925 7.925 7.590 0.335 17613 14326 1 20 . 1 1 76 76 TYR N N 76 118.452 118.452 121.584 -3.132 17613 14327 1 20 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.646 0.132 17613 14328 1 20 . 1 1 76 76 TYR C C 76 175.234 175.234 175.113 0.121 17613 14329 1 20 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.253 -0.749 17613 14330 1 20 . 1 1 76 76 TYR CB C 76 37.962 37.962 41.756 -3.794 17613 14331 1 20 . 1 1 76 76 TYR H H 76 7.366 7.366 7.703 -0.337 17613 14332 1 20 . 1 1 77 77 LYS N N 77 122.866 122.866 125.509 -2.643 17613 14333 1 20 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.303 0.245 17613 14334 1 20 . 1 1 77 77 LYS C C 77 174.138 174.138 175.023 -0.885 17613 14335 1 20 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.739 -0.669 17613 14336 1 20 . 1 1 77 77 LYS CB C 77 32.217 32.217 31.789 0.428 17613 14337 1 20 . 1 1 77 77 LYS H H 77 8.290 8.290 8.835 -0.545 17613 14338 1 20 . 1 1 78 78 VAL N N 78 124.071 124.071 125.670 -1.599 17613 14339 1 20 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.846 0.320 17613 14340 1 20 . 1 1 78 78 VAL C C 78 174.162 174.162 175.040 -0.878 17613 14341 1 20 . 1 1 78 78 VAL CA C 78 60.229 60.229 61.148 -0.919 17613 14342 1 20 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.886 0.469 17613 14343 1 20 . 1 1 78 78 VAL H H 78 7.830 7.830 7.910 -0.080 17613 14344 1 20 . 1 1 79 79 PHE N N 79 126.174 126.174 125.584 0.590 17613 14345 1 20 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.611 -0.044 17613 14346 1 20 . 1 1 79 79 PHE C C 79 173.357 173.357 174.102 -0.745 17613 14347 1 20 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.967 -1.014 17613 14348 1 20 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.411 -0.227 17613 14349 1 20 . 1 1 79 79 PHE H H 79 8.374 8.374 8.622 -0.248 17613 14350 1 20 . 1 1 80 80 LEU N N 80 123.959 123.959 125.163 -1.204 17613 14351 1 20 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.418 0.128 17613 14352 1 20 . 1 1 80 80 LEU C C 80 173.503 173.503 174.517 -1.014 17613 14353 1 20 . 1 1 80 80 LEU CA C 80 53.998 53.998 52.881 1.117 17613 14354 1 20 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.811 -0.144 17613 14355 1 20 . 1 1 80 80 LEU H H 80 8.601 8.601 8.552 0.049 17613 14356 1 20 . 1 1 81 81 LEU N N 81 126.694 126.694 127.792 -1.098 17613 14357 1 20 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.226 0.043 17613 14358 1 20 . 1 1 81 81 LEU C C 81 173.649 173.649 174.570 -0.921 17613 14359 1 20 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.311 -0.247 17613 14360 1 20 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.518 0.259 17613 14361 1 20 . 1 1 81 81 LEU H H 81 9.063 9.063 8.766 0.297 17613 14362 1 20 . 1 1 82 82 LEU N N 82 124.888 124.888 127.610 -2.722 17613 14363 1 20 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.767 0.144 17613 14364 1 20 . 1 1 82 82 LEU C C 82 174.479 174.479 174.964 -0.485 17613 14365 1 20 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.861 -0.726 17613 14366 1 20 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.320 0.902 17613 14367 1 20 . 1 1 82 82 LEU H H 82 8.864 8.864 8.712 0.152 17613 14368 1 20 . 1 1 83 83 GLN N N 83 122.153 122.153 125.129 -2.976 17613 14369 1 20 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.107 0.153 17613 14370 1 20 . 1 1 83 83 GLN C C 83 174.333 174.333 174.634 -0.301 17613 14371 1 20 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.614 -0.028 17613 14372 1 20 . 1 1 83 83 GLN CB C 83 29.870 29.870 30.881 -1.011 17613 14373 1 20 . 1 1 83 83 GLN H H 83 8.437 8.437 8.851 -0.413 17613 14374 1 20 . 1 1 84 84 ASP N N 84 124.451 124.451 126.404 -1.953 17613 14375 1 20 . 1 1 84 84 ASP HA H 84 4.502 4.502 4.903 -0.401 17613 14376 1 20 . 1 1 84 84 ASP C C 84 174.308 174.308 175.360 -1.052 17613 14377 1 20 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.916 0.098 17613 14378 1 20 . 1 1 84 84 ASP CB C 84 43.771 43.771 43.816 -0.044 17613 14379 1 20 . 1 1 84 84 ASP H H 84 8.205 8.205 8.481 -0.276 17613 14380 1 20 . 1 1 85 85 GLN N N 85 120.202 120.202 121.199 -0.997 17613 14381 1 20 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.272 0.062 17613 14382 1 20 . 1 1 85 85 GLN C C 85 175.431 175.431 176.298 -0.867 17613 14383 1 20 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.511 -0.916 17613 14384 1 20 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.242 0.092 17613 14385 1 20 . 1 1 85 85 GLN H H 85 8.617 8.617 8.691 -0.074 17613 14386 1 20 . 1 1 86 86 ASP N N 86 120.508 120.508 121.175 -0.667 17613 14387 1 20 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.868 -0.183 17613 14388 1 20 . 1 1 86 86 ASP C C 86 175.747 175.747 175.633 0.114 17613 14389 1 20 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.702 -0.190 17613 14390 1 20 . 1 1 86 86 ASP CB C 86 40.957 40.957 40.861 0.096 17613 14391 1 20 . 1 1 86 86 ASP H H 86 8.691 8.691 8.011 0.680 17613 14392 1 20 . 1 1 87 87 GLU N N 87 123.604 123.604 122.042 1.562 17613 14393 1 20 . 1 1 87 87 GLU HA H 87 4.035 4.035 3.948 0.087 17613 14394 1 20 . 1 1 87 87 GLU C C 87 177.771 177.771 177.564 0.207 17613 14395 1 20 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.768 -1.246 17613 14396 1 20 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.799 -0.224 17613 14397 1 20 . 1 1 87 87 GLU H H 87 8.642 8.642 8.261 0.381 17613 14398 1 20 . 1 1 88 88 ASN N N 88 118.838 118.838 117.463 1.375 17613 14399 1 20 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.417 0.144 17613 14400 1 20 . 1 1 88 88 ASN C C 88 177.089 177.089 177.572 -0.483 17613 14401 1 20 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.455 -0.813 17613 14402 1 20 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.675 0.491 17613 14403 1 20 . 1 1 88 88 ASN H H 88 8.527 8.527 8.621 -0.094 17613 14404 1 20 . 1 1 89 89 GLU N N 89 120.947 120.947 120.470 0.477 17613 14405 1 20 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.417 -0.270 17613 14406 1 20 . 1 1 89 89 GLU C C 89 178.357 178.357 178.954 -0.597 17613 14407 1 20 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.349 -0.098 17613 14408 1 20 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.305 -0.061 17613 14409 1 20 . 1 1 89 89 GLU H H 89 8.221 8.221 7.941 0.280 17613 14410 1 20 . 1 1 90 90 LEU N N 90 119.582 119.582 121.897 -2.315 17613 14411 1 20 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.146 0.059 17613 14412 1 20 . 1 1 90 90 LEU C C 90 177.917 177.917 178.602 -0.685 17613 14413 1 20 . 1 1 90 90 LEU CA C 90 56.944 56.944 58.001 -1.057 17613 14414 1 20 . 1 1 90 90 LEU CB C 90 42.456 42.456 42.012 0.444 17613 14415 1 20 . 1 1 90 90 LEU H H 90 8.047 8.047 8.032 0.015 17613 14416 1 20 . 1 1 91 91 GLU N N 91 119.029 119.029 119.644 -0.615 17613 14417 1 20 . 1 1 91 91 GLU HA H 91 4.073 4.073 3.984 0.089 17613 14418 1 20 . 1 1 91 91 GLU C C 91 178.284 178.284 178.618 -0.334 17613 14419 1 20 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.808 -0.679 17613 14420 1 20 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.613 -0.643 17613 14421 1 20 . 1 1 91 91 GLU H H 91 7.940 7.940 8.204 -0.264 17613 14422 1 20 . 1 1 92 92 GLU N N 92 118.667 118.667 119.317 -0.650 17613 14423 1 20 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.034 -0.002 17613 14424 1 20 . 1 1 92 92 GLU C C 92 178.103 178.103 178.908 -0.805 17613 14425 1 20 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.046 0.206 17613 14426 1 20 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.592 -0.660 17613 14427 1 20 . 1 1 92 92 GLU H H 92 8.088 8.088 7.721 0.367 17613 14428 1 20 . 1 1 93 93 PHE N N 93 120.118 120.118 119.179 0.939 17613 14429 1 20 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.363 -0.023 17613 14430 1 20 . 1 1 93 93 PHE C C 93 176.894 176.894 176.747 0.147 17613 14431 1 20 . 1 1 93 93 PHE CA C 93 60.445 60.445 59.424 1.021 17613 14432 1 20 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.614 -0.627 17613 14433 1 20 . 1 1 93 93 PHE H H 93 8.103 8.103 7.840 0.263 17613 14434 1 20 . 1 1 94 94 LYS N N 94 118.941 118.941 121.090 -2.149 17613 14435 1 20 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.709 -0.092 17613 14436 1 20 . 1 1 94 94 LYS C C 94 177.600 177.600 178.378 -0.778 17613 14437 1 20 . 1 1 94 94 LYS CA C 94 60.076 60.076 60.042 0.034 17613 14438 1 20 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.561 -0.096 17613 14439 1 20 . 1 1 94 94 LYS H H 94 8.606 8.606 8.163 0.443 17613 14440 1 20 . 1 1 95 95 ARG N N 95 117.194 117.194 117.090 0.104 17613 14441 1 20 . 1 1 95 95 ARG HA H 95 4.150 4.150 3.969 0.181 17613 14442 1 20 . 1 1 95 95 ARG C C 95 179.404 179.404 178.293 1.111 17613 14443 1 20 . 1 1 95 95 ARG CA C 95 59.103 59.103 59.198 -0.095 17613 14444 1 20 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.752 0.067 17613 14445 1 20 . 1 1 95 95 ARG H H 95 8.159 8.159 8.050 0.109 17613 14446 1 20 . 1 1 96 96 LYS N N 96 119.582 119.582 119.756 -0.174 17613 14447 1 20 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.037 0.028 17613 14448 1 20 . 1 1 96 96 LYS C C 96 179.034 179.034 178.669 0.365 17613 14449 1 20 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.120 -0.186 17613 14450 1 20 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.000 0.069 17613 14451 1 20 . 1 1 96 96 LYS H H 96 7.786 7.786 7.575 0.211 17613 14452 1 20 . 1 1 97 97 ILE N N 97 118.550 118.550 118.688 -0.138 17613 14453 1 20 . 1 1 97 97 ILE HA H 97 3.938 3.938 4.076 -0.138 17613 14454 1 20 . 1 1 97 97 ILE C C 97 178.284 178.284 178.120 0.164 17613 14455 1 20 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.693 -1.124 17613 14456 1 20 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.982 -0.776 17613 14457 1 20 . 1 1 97 97 ILE H H 97 7.831 7.831 7.445 0.386 17613 14458 1 20 . 1 1 98 98 GLU N N 98 121.984 121.984 120.684 1.300 17613 14459 1 20 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.382 -0.046 17613 14460 1 20 . 1 1 98 98 GLU C C 98 180.040 180.040 179.417 0.623 17613 14461 1 20 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.917 0.033 17613 14462 1 20 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.604 -0.169 17613 14463 1 20 . 1 1 98 98 GLU H H 98 8.670 8.670 8.336 0.334 17613 14464 1 20 . 1 1 99 99 SER N N 99 115.499 115.499 114.825 0.674 17613 14465 1 20 . 1 1 99 99 SER HA H 99 4.343 4.343 4.321 0.022 17613 14466 1 20 . 1 1 99 99 SER C C 99 174.820 174.820 176.038 -1.218 17613 14467 1 20 . 1 1 99 99 SER CA C 99 60.410 60.410 60.501 -0.091 17613 14468 1 20 . 1 1 99 99 SER CB C 99 62.680 62.680 62.948 -0.268 17613 14469 1 20 . 1 1 99 99 SER H H 99 8.099 8.099 7.645 0.454 17613 14470 1 20 . 1 1 100 100 GLN N N 100 119.301 119.301 119.298 0.003 17613 14471 1 20 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.323 -0.013 17613 14472 1 20 . 1 1 100 100 GLN C C 100 175.857 175.857 175.370 0.487 17613 14473 1 20 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.803 0.123 17613 14474 1 20 . 1 1 100 100 GLN CB C 100 29.212 29.212 29.133 0.079 17613 14475 1 20 . 1 1 100 100 GLN H H 100 7.623 7.623 7.479 0.144 17613 14476 1 20 . 1 1 101 101 GLY N N 101 105.765 105.765 106.303 -0.538 17613 14477 1 20 . 1 1 101 101 GLY C C 101 173.748 173.748 173.792 -0.044 17613 14478 1 20 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.916 0.287 17613 14479 1 20 . 1 1 101 101 GLY H H 101 7.945 7.945 7.484 0.461 17613 14480 1 20 . 1 1 102 102 TYR N N 102 117.993 117.993 117.826 0.167 17613 14481 1 20 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.569 0.103 17613 14482 1 20 . 1 1 102 102 TYR C C 102 174.747 174.747 174.749 -0.002 17613 14483 1 20 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.622 -0.368 17613 14484 1 20 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.995 -1.947 17613 14485 1 20 . 1 1 102 102 TYR H H 102 6.890 6.890 7.403 -0.513 17613 14486 1 20 . 1 1 103 103 GLU N N 103 122.864 122.864 125.573 -2.709 17613 14487 1 20 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.430 0.077 17613 14488 1 20 . 1 1 103 103 GLU C C 103 174.162 174.162 175.002 -0.840 17613 14489 1 20 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.626 0.758 17613 14490 1 20 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.102 1.269 17613 14491 1 20 . 1 1 103 103 GLU H H 103 8.318 8.318 8.616 -0.298 17613 14492 1 20 . 1 1 104 104 VAL N N 104 124.342 124.342 127.493 -3.151 17613 14493 1 20 . 1 1 104 104 VAL HA H 104 5.228 5.228 5.118 0.110 17613 14494 1 20 . 1 1 104 104 VAL C C 104 174.235 174.235 175.552 -1.317 17613 14495 1 20 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.400 -2.120 17613 14496 1 20 . 1 1 104 104 VAL CB C 104 34.167 34.167 33.572 0.595 17613 14497 1 20 . 1 1 104 104 VAL H H 104 8.651 8.651 7.856 0.795 17613 14498 1 20 . 1 1 105 105 ARG N N 105 124.856 124.856 125.884 -1.028 17613 14499 1 20 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.893 0.022 17613 14500 1 20 . 1 1 105 105 ARG C C 105 173.917 173.917 175.012 -1.095 17613 14501 1 20 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.469 -1.004 17613 14502 1 20 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.426 -0.471 17613 14503 1 20 . 1 1 105 105 ARG H H 105 8.705 8.705 8.829 -0.124 17613 14504 1 20 . 1 1 106 106 LYS N N 106 121.499 121.499 121.803 -0.304 17613 14505 1 20 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.234 0.344 17613 14506 1 20 . 1 1 106 106 LYS C C 106 174.820 174.820 175.909 -1.089 17613 14507 1 20 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.550 -1.682 17613 14508 1 20 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.147 1.152 17613 14509 1 20 . 1 1 106 106 LYS H H 106 8.807 8.807 8.537 0.270 17613 14510 1 20 . 1 1 107 107 VAL N N 107 118.792 118.792 120.025 -1.233 17613 14511 1 20 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.524 0.091 17613 14512 1 20 . 1 1 107 107 VAL C C 107 173.332 173.332 174.235 -0.903 17613 14513 1 20 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.481 -0.259 17613 14514 1 20 . 1 1 107 107 VAL CB C 107 35.234 35.234 36.166 -0.932 17613 14515 1 20 . 1 1 107 107 VAL H H 107 8.555 8.555 8.219 0.336 17613 14516 1 20 . 1 1 108 108 THR N N 108 114.072 114.072 116.120 -2.048 17613 14517 1 20 . 1 1 108 108 THR HA H 108 4.781 4.781 4.574 0.207 17613 14518 1 20 . 1 1 108 108 THR C C 108 174.625 174.625 174.505 0.120 17613 14519 1 20 . 1 1 108 108 THR CA C 108 62.221 62.221 62.418 -0.197 17613 14520 1 20 . 1 1 108 108 THR CB C 108 69.975 69.975 69.850 0.125 17613 14521 1 20 . 1 1 108 108 THR H H 108 8.604 8.604 8.500 0.104 17613 14522 1 20 . 1 1 109 109 ASP N N 109 122.574 122.574 122.970 -0.396 17613 14523 1 20 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.847 -0.109 17613 14524 1 20 . 1 1 109 109 ASP C C 109 175.796 175.796 176.590 -0.794 17613 14525 1 20 . 1 1 109 109 ASP CA C 109 53.849 53.849 53.664 0.185 17613 14526 1 20 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.534 1.154 17613 14527 1 20 . 1 1 109 109 ASP H H 109 8.036 8.036 7.910 0.126 17613 14528 1 20 . 1 1 110 110 ASP N N 110 122.852 122.852 121.507 1.345 17613 14529 1 20 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.332 -0.237 17613 14530 1 20 . 1 1 110 110 ASP C C 110 177.527 177.527 177.940 -0.413 17613 14531 1 20 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.862 -0.474 17613 14532 1 20 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.750 -0.449 17613 14533 1 20 . 1 1 110 110 ASP H H 110 8.696 8.696 8.697 -0.001 17613 14534 1 20 . 1 1 111 111 GLU N N 111 119.144 119.144 118.911 0.233 17613 14535 1 20 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.017 -0.029 17613 14536 1 20 . 1 1 111 111 GLU C C 111 179.942 179.942 178.715 1.227 17613 14537 1 20 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.276 0.081 17613 14538 1 20 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.190 -0.694 17613 14539 1 20 . 1 1 111 111 GLU H H 111 8.213 8.213 8.498 -0.285 17613 14540 1 20 . 1 1 112 112 GLU N N 112 121.400 121.400 119.731 1.669 17613 14541 1 20 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.100 -0.103 17613 14542 1 20 . 1 1 112 112 GLU C C 112 178.430 178.430 178.138 0.292 17613 14543 1 20 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.438 0.311 17613 14544 1 20 . 1 1 112 112 GLU CB C 112 29.194 29.194 28.955 0.239 17613 14545 1 20 . 1 1 112 112 GLU H H 112 8.234 8.234 8.478 -0.244 17613 14546 1 20 . 1 1 113 113 ALA N N 113 120.316 120.316 122.567 -2.251 17613 14547 1 20 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.056 -0.256 17613 14548 1 20 . 1 1 113 113 ALA C C 113 178.430 178.430 179.818 -1.388 17613 14549 1 20 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.210 0.172 17613 14550 1 20 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.096 0.505 17613 14551 1 20 . 1 1 113 113 ALA H H 113 8.118 8.118 7.743 0.375 17613 14552 1 20 . 1 1 114 114 LEU N N 114 116.901 116.901 117.521 -0.620 17613 14553 1 20 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.823 -0.110 17613 14554 1 20 . 1 1 114 114 LEU C C 114 178.431 178.431 179.316 -0.885 17613 14555 1 20 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.583 0.092 17613 14556 1 20 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.356 -0.420 17613 14557 1 20 . 1 1 114 114 LEU H H 114 7.743 7.743 7.571 0.172 17613 14558 1 20 . 1 1 115 115 LYS N N 115 119.066 119.066 118.861 0.205 17613 14559 1 20 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.946 -0.146 17613 14560 1 20 . 1 1 115 115 LYS C C 115 179.404 179.404 179.196 0.208 17613 14561 1 20 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.536 0.347 17613 14562 1 20 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.303 -0.125 17613 14563 1 20 . 1 1 115 115 LYS H H 115 7.617 7.617 7.385 0.232 17613 14564 1 20 . 1 1 116 116 ILE N N 116 120.613 120.613 119.267 1.346 17613 14565 1 20 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.580 -0.120 17613 14566 1 20 . 1 1 116 116 ILE C C 116 177.016 177.016 177.527 -0.511 17613 14567 1 20 . 1 1 116 116 ILE CA C 116 64.122 64.122 63.392 0.730 17613 14568 1 20 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.283 0.040 17613 14569 1 20 . 1 1 116 116 ILE H H 116 8.004 8.004 8.135 -0.131 17613 14570 1 20 . 1 1 117 117 VAL N N 117 120.234 120.234 120.423 -0.189 17613 14571 1 20 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.689 -0.429 17613 14572 1 20 . 1 1 117 117 VAL C C 117 177.746 177.746 178.089 -0.343 17613 14573 1 20 . 1 1 117 117 VAL CA C 117 67.505 67.505 66.580 0.925 17613 14574 1 20 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.704 0.049 17613 14575 1 20 . 1 1 117 117 VAL H H 117 8.121 8.121 7.782 0.339 17613 14576 1 20 . 1 1 118 118 ARG N N 118 118.415 118.415 118.241 0.174 17613 14577 1 20 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.916 -0.023 17613 14578 1 20 . 1 1 118 118 ARG C C 118 178.966 178.966 178.981 -0.015 17613 14579 1 20 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.593 0.576 17613 14580 1 20 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.751 -0.049 17613 14581 1 20 . 1 1 118 118 ARG H H 118 8.026 8.026 7.508 0.518 17613 14582 1 20 . 1 1 119 119 GLU N N 119 122.419 122.419 120.344 2.075 17613 14583 1 20 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.000 0.027 17613 14584 1 20 . 1 1 119 119 GLU C C 119 179.429 179.429 178.755 0.674 17613 14585 1 20 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.981 0.549 17613 14586 1 20 . 1 1 119 119 GLU CB C 119 28.961 28.961 28.969 -0.008 17613 14587 1 20 . 1 1 119 119 GLU H H 119 7.918 7.918 7.653 0.265 17613 14588 1 20 . 1 1 120 120 PHE N N 120 119.597 119.597 119.562 0.035 17613 14589 1 20 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.771 0.251 17613 14590 1 20 . 1 1 120 120 PHE C C 120 177.698 177.698 177.991 -0.293 17613 14591 1 20 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.519 -3.651 17613 14592 1 20 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.114 -1.361 17613 14593 1 20 . 1 1 120 120 PHE H H 120 8.826 8.826 7.723 1.103 17613 14594 1 20 . 1 1 121 121 MET N N 121 116.596 116.596 116.726 -0.130 17613 14595 1 20 . 1 1 121 121 MET HA H 121 3.931 3.931 4.027 -0.096 17613 14596 1 20 . 1 1 121 121 MET C C 121 179.577 179.577 178.611 0.966 17613 14597 1 20 . 1 1 121 121 MET CA C 121 59.785 59.785 58.298 1.487 17613 14598 1 20 . 1 1 121 121 MET CB C 121 33.643 33.643 32.095 1.548 17613 14599 1 20 . 1 1 121 121 MET H H 121 8.317 8.317 8.340 -0.023 17613 14600 1 20 . 1 1 122 122 GLN N N 122 120.565 120.565 120.520 0.045 17613 14601 1 20 . 1 1 122 122 GLN HA H 122 4.135 4.135 4.009 0.126 17613 14602 1 20 . 1 1 122 122 GLN C C 122 178.893 178.893 177.923 0.970 17613 14603 1 20 . 1 1 122 122 GLN CA C 122 58.745 58.745 58.931 -0.186 17613 14604 1 20 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.127 -0.107 17613 14605 1 20 . 1 1 122 122 GLN H H 122 8.054 8.054 7.958 0.096 17613 14606 1 20 . 1 1 123 123 LYS N N 123 121.605 121.605 119.940 1.665 17613 14607 1 20 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.042 -0.017 17613 14608 1 20 . 1 1 123 123 LYS C C 123 179.307 179.307 179.037 0.270 17613 14609 1 20 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.113 0.130 17613 14610 1 20 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.350 -0.044 17613 14611 1 20 . 1 1 123 123 LYS H H 123 8.400 8.400 7.779 0.621 17613 14612 1 20 . 1 1 124 124 ALA N N 124 121.873 121.873 120.597 1.276 17613 14613 1 20 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.329 -0.185 17613 14614 1 20 . 1 1 124 124 ALA C C 124 179.112 179.112 179.373 -0.261 17613 14615 1 20 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.709 -0.057 17613 14616 1 20 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.388 0.546 17613 14617 1 20 . 1 1 124 124 ALA H H 124 8.601 8.601 7.902 0.699 17613 14618 1 20 . 1 1 125 125 GLY N N 125 104.755 104.755 106.817 -2.062 17613 14619 1 20 . 1 1 125 125 GLY C C 125 175.553 175.553 176.423 -0.870 17613 14620 1 20 . 1 1 125 125 GLY CA C 125 46.291 46.291 47.071 -0.779 17613 14621 1 20 . 1 1 125 125 GLY H H 125 7.949 7.949 8.150 -0.201 17613 14622 1 20 . 1 1 126 126 SER N N 126 116.080 116.080 117.277 -1.197 17613 14623 1 20 . 1 1 126 126 SER HA H 126 4.447 4.447 4.426 0.021 17613 14624 1 20 . 1 1 126 126 SER C C 126 175.504 175.504 176.455 -0.951 17613 14625 1 20 . 1 1 126 126 SER CA C 126 59.965 59.965 60.891 -0.926 17613 14626 1 20 . 1 1 126 126 SER CB C 126 63.460 63.460 63.343 0.117 17613 14627 1 20 . 1 1 126 126 SER H H 126 7.861 7.861 7.679 0.182 17613 14628 1 20 . 1 1 127 127 LEU N N 127 122.372 122.372 120.921 1.451 17613 14629 1 20 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.211 0.071 17613 14630 1 20 . 1 1 127 127 LEU C C 127 177.990 177.990 178.785 -0.795 17613 14631 1 20 . 1 1 127 127 LEU CA C 127 56.217 56.217 57.504 -1.286 17613 14632 1 20 . 1 1 127 127 LEU CB C 127 42.073 42.073 42.311 -0.238 17613 14633 1 20 . 1 1 127 127 LEU H H 127 7.882 7.882 7.402 0.480 17613 14634 1 20 . 1 1 128 128 GLU N N 128 119.775 119.775 116.622 3.153 17613 14635 1 20 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.326 -0.418 17613 14636 1 20 . 1 1 128 128 GLU CA C 128 57.611 57.611 57.853 -0.242 17613 14637 1 20 . 1 1 128 128 GLU CB C 128 29.830 29.830 30.316 -0.486 17613 14638 1 20 . 1 1 128 128 GLU H H 128 8.084 8.084 8.126 -0.042 17613 14639 1 20 . 1 1 131 131 HIS N N 131 125.272 125.272 125.137 0.135 17613 14640 1 20 . 1 1 131 131 HIS H H 131 8.059 8.059 7.816 0.243 17613 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 122 1.816 0.524 1.746 17613 2 1 1 "Average Difference" HA 129 0.243 -0.049 0.239 17613 3 1 1 "Average Difference" C 121 1.051 0.320 1.006 17613 4 1 1 "Average Difference" CA 124 0.944 0.023 0.948 17613 5 1 1 "Average Difference" CB 121 0.964 -0.025 0.968 17613 6 1 1 "Average Difference" HN 123 0.392 -0.135 0.370 17613 7 1 2 "Average Difference" N 122 1.772 0.586 1.679 17613 8 1 2 "Average Difference" HA 129 0.229 -0.051 0.224 17613 9 1 2 "Average Difference" C 121 1.075 0.406 1.000 17613 10 1 2 "Average Difference" CA 124 0.892 0.046 0.895 17613 11 1 2 "Average Difference" CB 121 0.995 -0.064 0.997 17613 12 1 2 "Average Difference" HN 123 0.423 -0.168 0.389 17613 13 1 3 "Average Difference" N 122 2.011 0.386 1.982 17613 14 1 3 "Average Difference" HA 129 0.247 -0.042 0.245 17613 15 1 3 "Average Difference" C 121 1.091 0.355 1.037 17613 16 1 3 "Average Difference" CA 124 0.908 -0.010 0.912 17613 17 1 3 "Average Difference" CB 121 1.055 0.032 1.059 17613 18 1 3 "Average Difference" HN 123 0.409 -0.171 0.373 17613 19 1 4 "Average Difference" N 122 1.767 0.440 1.718 17613 20 1 4 "Average Difference" HA 129 0.259 -0.040 0.257 17613 21 1 4 "Average Difference" C 121 1.111 0.422 1.032 17613 22 1 4 "Average Difference" CA 124 0.924 0.025 0.928 17613 23 1 4 "Average Difference" CB 121 1.084 0.046 1.087 17613 24 1 4 "Average Difference" HN 123 0.410 -0.195 0.363 17613 25 1 5 "Average Difference" N 122 2.049 0.293 2.036 17613 26 1 5 "Average Difference" HA 129 0.231 -0.024 0.231 17613 27 1 5 "Average Difference" C 121 1.069 0.373 1.006 17613 28 1 5 "Average Difference" CA 124 0.896 0.068 0.897 17613 29 1 5 "Average Difference" CB 121 0.897 -0.006 0.901 17613 30 1 5 "Average Difference" HN 123 0.420 -0.124 0.403 17613 31 1 6 "Average Difference" N 122 1.755 0.477 1.695 17613 32 1 6 "Average Difference" HA 129 0.222 -0.057 0.215 17613 33 1 6 "Average Difference" C 121 1.133 0.421 1.056 17613 34 1 6 "Average Difference" CA 124 0.878 0.079 0.878 17613 35 1 6 "Average Difference" CB 121 1.003 -0.036 1.007 17613 36 1 6 "Average Difference" HN 123 0.415 -0.154 0.387 17613 37 1 7 "Average Difference" N 122 2.280 0.584 2.213 17613 38 1 7 "Average Difference" HA 129 0.231 -0.048 0.227 17613 39 1 7 "Average Difference" C 121 1.113 0.442 1.025 17613 40 1 7 "Average Difference" CA 124 0.941 0.159 0.931 17613 41 1 7 "Average Difference" CB 121 0.987 -0.090 0.987 17613 42 1 7 "Average Difference" HN 123 0.429 -0.169 0.396 17613 43 1 8 "Average Difference" N 122 1.958 0.758 1.813 17613 44 1 8 "Average Difference" HA 129 0.257 -0.037 0.255 17613 45 1 8 "Average Difference" C 121 1.088 0.408 1.013 17613 46 1 8 "Average Difference" CA 124 0.995 0.064 0.997 17613 47 1 8 "Average Difference" CB 121 1.027 -0.108 1.026 17613 48 1 8 "Average Difference" HN 123 0.418 -0.151 0.391 17613 49 1 9 "Average Difference" N 122 1.820 0.482 1.762 17613 50 1 9 "Average Difference" HA 129 0.272 -0.058 0.267 17613 51 1 9 "Average Difference" C 121 1.046 0.387 0.976 17613 52 1 9 "Average Difference" CA 124 0.919 0.110 0.916 17613 53 1 9 "Average Difference" CB 121 1.023 -0.002 1.027 17613 54 1 9 "Average Difference" HN 123 0.423 -0.143 0.400 17613 55 1 10 "Average Difference" N 122 2.026 0.602 1.942 17613 56 1 10 "Average Difference" HA 129 0.255 -0.072 0.245 17613 57 1 10 "Average Difference" C 121 1.090 0.356 1.034 17613 58 1 10 "Average Difference" CA 124 0.981 0.071 0.982 17613 59 1 10 "Average Difference" CB 121 1.015 -0.083 1.016 17613 60 1 10 "Average Difference" HN 123 0.401 -0.152 0.372 17613 61 1 11 "Average Difference" N 122 1.797 0.507 1.731 17613 62 1 11 "Average Difference" HA 129 0.221 -0.040 0.219 17613 63 1 11 "Average Difference" C 121 1.049 0.352 0.992 17613 64 1 11 "Average Difference" CA 124 0.927 0.045 0.929 17613 65 1 11 "Average Difference" CB 121 1.048 0.028 1.052 17613 66 1 11 "Average Difference" HN 123 0.449 -0.158 0.422 17613 67 1 12 "Average Difference" N 122 2.040 0.503 1.985 17613 68 1 12 "Average Difference" HA 129 0.213 -0.045 0.209 17613 69 1 12 "Average Difference" C 121 1.126 0.398 1.057 17613 70 1 12 "Average Difference" CA 124 0.936 0.129 0.930 17613 71 1 12 "Average Difference" CB 121 1.030 0.005 1.034 17613 72 1 12 "Average Difference" HN 123 0.417 -0.155 0.388 17613 73 1 13 "Average Difference" N 122 1.991 0.545 1.923 17613 74 1 13 "Average Difference" HA 129 0.272 -0.061 0.267 17613 75 1 13 "Average Difference" C 121 1.097 0.397 1.027 17613 76 1 13 "Average Difference" CA 124 0.918 0.130 0.912 17613 77 1 13 "Average Difference" CB 121 0.993 -0.078 0.994 17613 78 1 13 "Average Difference" HN 123 0.403 -0.150 0.376 17613 79 1 14 "Average Difference" N 122 1.894 0.615 1.799 17613 80 1 14 "Average Difference" HA 129 0.231 -0.033 0.230 17613 81 1 14 "Average Difference" C 121 1.100 0.390 1.033 17613 82 1 14 "Average Difference" CA 124 0.990 0.091 0.990 17613 83 1 14 "Average Difference" CB 121 1.014 -0.119 1.011 17613 84 1 14 "Average Difference" HN 123 0.427 -0.152 0.401 17613 85 1 15 "Average Difference" N 122 2.026 0.411 1.992 17613 86 1 15 "Average Difference" HA 129 0.219 -0.040 0.217 17613 87 1 15 "Average Difference" C 121 1.136 0.401 1.068 17613 88 1 15 "Average Difference" CA 124 0.957 0.109 0.954 17613 89 1 15 "Average Difference" CB 121 1.135 -0.042 1.139 17613 90 1 15 "Average Difference" HN 123 0.396 -0.154 0.366 17613 91 1 16 "Average Difference" N 122 1.880 0.601 1.789 17613 92 1 16 "Average Difference" HA 129 0.233 -0.039 0.230 17613 93 1 16 "Average Difference" C 121 1.136 0.407 1.065 17613 94 1 16 "Average Difference" CA 124 0.912 0.143 0.904 17613 95 1 16 "Average Difference" CB 121 0.933 -0.032 0.937 17613 96 1 16 "Average Difference" HN 123 0.412 -0.146 0.386 17613 97 1 17 "Average Difference" N 122 2.018 0.527 1.956 17613 98 1 17 "Average Difference" HA 129 0.232 -0.016 0.233 17613 99 1 17 "Average Difference" C 121 1.096 0.360 1.040 17613 100 1 17 "Average Difference" CA 124 0.962 0.049 0.965 17613 101 1 17 "Average Difference" CB 121 0.953 -0.027 0.957 17613 102 1 17 "Average Difference" HN 123 0.396 -0.141 0.372 17613 103 1 18 "Average Difference" N 122 1.877 0.795 1.708 17613 104 1 18 "Average Difference" HA 129 0.221 -0.019 0.221 17613 105 1 18 "Average Difference" C 121 1.089 0.358 1.033 17613 106 1 18 "Average Difference" CA 124 0.962 0.054 0.964 17613 107 1 18 "Average Difference" CB 121 1.025 -0.004 1.030 17613 108 1 18 "Average Difference" HN 123 0.420 -0.152 0.393 17613 109 1 19 "Average Difference" N 122 1.903 0.676 1.787 17613 110 1 19 "Average Difference" HA 129 0.221 -0.025 0.220 17613 111 1 19 "Average Difference" C 121 1.054 0.379 0.987 17613 112 1 19 "Average Difference" CA 124 0.915 0.025 0.918 17613 113 1 19 "Average Difference" CB 121 0.830 0.056 0.831 17613 114 1 19 "Average Difference" HN 123 0.404 -0.140 0.381 17613 115 1 20 "Average Difference" N 122 1.782 0.511 1.714 17613 116 1 20 "Average Difference" HA 129 0.218 -0.024 0.218 17613 117 1 20 "Average Difference" C 121 1.079 0.379 1.014 17613 118 1 20 "Average Difference" CA 124 0.935 0.053 0.938 17613 119 1 20 "Average Difference" CB 121 0.965 0.040 0.969 17613 120 1 20 "Average Difference" HN 123 0.410 -0.162 0.379 17613 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17613 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 ILE HA H 3 4.826 4.826 4.613 0.213 17613 2 1 . 1 1 3 3 ILE C C 3 173.405 173.405 175.010 -1.605 17613 3 1 . 1 1 3 3 ILE CA C 3 59.556 59.556 60.175 -0.619 17613 4 1 . 1 1 3 3 ILE CB C 3 40.508 40.508 39.272 1.236 17613 5 1 . 1 1 3 3 ILE H H 3 8.444 8.444 8.368 0.076 17613 6 1 . 1 1 4 4 LEU N N 4 127.785 127.785 127.666 0.119 17613 7 1 . 1 1 4 4 LEU HA H 4 5.459 5.459 5.265 0.194 17613 8 1 . 1 1 4 4 LEU C C 4 174.832 174.832 176.352 -1.520 17613 9 1 . 1 1 4 4 LEU CA C 4 53.341 53.341 53.243 0.098 17613 10 1 . 1 1 4 4 LEU CB C 4 45.313 45.313 43.843 1.470 17613 11 1 . 1 1 4 4 LEU H H 4 9.081 9.081 8.454 0.627 17613 12 1 . 1 1 5 5 ILE N N 5 123.010 123.010 124.099 -1.089 17613 13 1 . 1 1 5 5 ILE HA H 5 4.833 4.833 4.554 0.279 17613 14 1 . 1 1 5 5 ILE C C 5 173.357 173.357 174.935 -1.578 17613 15 1 . 1 1 5 5 ILE CA C 5 60.544 60.544 59.229 1.315 17613 16 1 . 1 1 5 5 ILE CB C 5 39.532 39.532 36.716 2.816 17613 17 1 . 1 1 5 5 ILE H H 5 8.765 8.765 8.420 0.345 17613 18 1 . 1 1 6 6 LEU N N 6 129.320 129.320 130.257 -0.937 17613 19 1 . 1 1 6 6 LEU HA H 6 5.346 5.346 5.055 0.291 17613 20 1 . 1 1 6 6 LEU C C 6 174.795 174.795 175.081 -0.286 17613 21 1 . 1 1 6 6 LEU CA C 6 53.000 53.000 53.402 -0.402 17613 22 1 . 1 1 6 6 LEU CB C 6 44.528 44.528 43.367 1.161 17613 23 1 . 1 1 6 6 LEU H H 6 9.235 9.235 8.359 0.876 17613 24 1 . 1 1 7 7 ILE N N 7 120.746 120.746 125.638 -4.892 17613 25 1 . 1 1 7 7 ILE HA H 7 5.181 5.181 4.767 0.414 17613 26 1 . 1 1 7 7 ILE C C 7 173.819 173.819 173.909 -0.090 17613 27 1 . 1 1 7 7 ILE CA C 7 58.215 58.215 60.305 -2.090 17613 28 1 . 1 1 7 7 ILE CB C 7 40.154 40.154 41.366 -1.212 17613 29 1 . 1 1 7 7 ILE H H 7 8.931 8.931 8.968 -0.037 17613 30 1 . 1 1 8 8 ASN N N 8 125.539 125.539 125.796 -0.257 17613 31 1 . 1 1 8 8 ASN HA H 8 5.902 5.902 5.631 0.271 17613 32 1 . 1 1 8 8 ASN C C 8 176.478 176.478 173.764 2.714 17613 33 1 . 1 1 8 8 ASN CA C 8 51.104 51.104 51.989 -0.885 17613 34 1 . 1 1 8 8 ASN CB C 8 42.582 42.582 41.668 0.914 17613 35 1 . 1 1 8 8 ASN H H 8 8.634 8.634 8.860 -0.226 17613 36 1 . 1 1 9 9 THR N N 9 118.493 118.493 119.938 -1.445 17613 37 1 . 1 1 9 9 THR HA H 9 4.739 4.739 4.945 -0.206 17613 38 1 . 1 1 9 9 THR C C 9 170.114 170.114 174.502 -4.388 17613 39 1 . 1 1 9 9 THR CA C 9 60.689 60.689 59.605 1.084 17613 40 1 . 1 1 9 9 THR CB C 9 67.766 67.766 71.216 -3.450 17613 41 1 . 1 1 9 9 THR H H 9 8.044 8.044 8.217 -0.173 17613 42 1 . 1 1 10 10 ASN N N 10 123.266 123.266 124.647 -1.381 17613 43 1 . 1 1 10 10 ASN HA H 10 4.967 4.967 4.706 0.261 17613 44 1 . 1 1 10 10 ASN C C 10 174.601 174.601 175.012 -0.411 17613 45 1 . 1 1 10 10 ASN CA C 10 51.844 51.844 54.297 -2.453 17613 46 1 . 1 1 10 10 ASN CB C 10 39.316 39.316 39.111 0.205 17613 47 1 . 1 1 10 10 ASN H H 10 8.440 8.440 8.635 -0.195 17613 48 1 . 1 1 11 11 ASN N N 11 120.920 120.920 119.260 1.660 17613 49 1 . 1 1 11 11 ASN HA H 11 4.693 4.693 4.875 -0.182 17613 50 1 . 1 1 11 11 ASN C C 11 174.333 174.333 175.008 -0.675 17613 51 1 . 1 1 11 11 ASN CA C 11 52.436 52.436 52.625 -0.189 17613 52 1 . 1 1 11 11 ASN CB C 11 38.349 38.349 39.438 -1.089 17613 53 1 . 1 1 11 11 ASN H H 11 8.366 8.366 7.667 0.699 17613 54 1 . 1 1 12 12 ASP N N 12 126.315 126.315 124.586 1.729 17613 55 1 . 1 1 12 12 ASP HA H 12 4.273 4.273 4.315 -0.042 17613 56 1 . 1 1 12 12 ASP C C 12 178.089 178.089 177.599 0.490 17613 57 1 . 1 1 12 12 ASP CA C 12 57.608 57.608 57.716 -0.108 17613 58 1 . 1 1 12 12 ASP CB C 12 41.161 41.161 40.845 0.317 17613 59 1 . 1 1 12 12 ASP H H 12 8.586 8.586 8.935 -0.349 17613 60 1 . 1 1 13 13 GLU N N 13 119.325 119.325 120.039 -0.714 17613 61 1 . 1 1 13 13 GLU HA H 13 4.026 4.026 4.062 -0.036 17613 62 1 . 1 1 13 13 GLU C C 13 178.893 178.893 178.643 0.250 17613 63 1 . 1 1 13 13 GLU CA C 13 59.006 59.006 59.096 -0.089 17613 64 1 . 1 1 13 13 GLU CB C 13 28.709 28.709 29.342 -0.634 17613 65 1 . 1 1 13 13 GLU H H 13 8.289 8.289 8.506 -0.217 17613 66 1 . 1 1 14 14 LEU N N 14 121.683 121.683 118.853 2.830 17613 67 1 . 1 1 14 14 LEU HA H 14 3.985 3.985 4.132 -0.147 17613 68 1 . 1 1 14 14 LEU C C 14 178.309 178.309 179.082 -0.773 17613 69 1 . 1 1 14 14 LEU CA C 14 57.261 57.261 57.017 0.244 17613 70 1 . 1 1 14 14 LEU CB C 14 40.105 40.105 40.913 -0.808 17613 71 1 . 1 1 14 14 LEU H H 14 7.577 7.577 7.580 -0.003 17613 72 1 . 1 1 15 15 ILE N N 15 119.483 119.483 119.740 -0.257 17613 73 1 . 1 1 15 15 ILE HA H 15 3.219 3.219 3.538 -0.319 17613 74 1 . 1 1 15 15 ILE C C 15 177.138 177.138 177.747 -0.609 17613 75 1 . 1 1 15 15 ILE CA C 15 66.590 66.590 65.679 0.911 17613 76 1 . 1 1 15 15 ILE CB C 15 37.424 37.424 37.502 -0.078 17613 77 1 . 1 1 15 15 ILE H H 15 8.238 8.238 7.502 0.736 17613 78 1 . 1 1 16 16 LYS N N 16 117.596 117.596 118.669 -1.074 17613 79 1 . 1 1 16 16 LYS HA H 16 3.843 3.843 4.021 -0.178 17613 80 1 . 1 1 16 16 LYS C C 16 179.577 179.577 179.032 0.545 17613 81 1 . 1 1 16 16 LYS CA C 16 60.169 60.169 59.286 0.883 17613 82 1 . 1 1 16 16 LYS CB C 16 32.164 32.164 31.995 0.169 17613 83 1 . 1 1 16 16 LYS H H 16 7.604 7.604 7.687 -0.083 17613 84 1 . 1 1 17 17 LYS N N 17 118.832 118.832 119.917 -1.085 17613 85 1 . 1 1 17 17 LYS HA H 17 3.992 3.992 4.094 -0.102 17613 86 1 . 1 1 17 17 LYS C C 17 179.380 179.380 178.960 0.420 17613 87 1 . 1 1 17 17 LYS CA C 17 59.840 59.840 59.438 0.401 17613 88 1 . 1 1 17 17 LYS CB C 17 33.065 33.065 32.501 0.564 17613 89 1 . 1 1 17 17 LYS H H 17 7.583 7.583 7.678 -0.095 17613 90 1 . 1 1 18 18 ILE N N 18 120.961 120.961 120.371 0.590 17613 91 1 . 1 1 18 18 ILE HA H 18 3.372 3.372 3.630 -0.258 17613 92 1 . 1 1 18 18 ILE C C 18 176.967 176.967 177.695 -0.728 17613 93 1 . 1 1 18 18 ILE CA C 18 65.474 65.474 65.086 0.388 17613 94 1 . 1 1 18 18 ILE CB C 18 37.556 37.556 37.664 -0.108 17613 95 1 . 1 1 18 18 ILE H H 18 8.785 8.785 8.034 0.751 17613 96 1 . 1 1 19 19 LYS N N 19 118.324 118.324 119.384 -1.060 17613 97 1 . 1 1 19 19 LYS HA H 19 3.680 3.680 3.905 -0.225 17613 98 1 . 1 1 19 19 LYS C C 19 177.746 177.746 178.990 -1.244 17613 99 1 . 1 1 19 19 LYS CA C 19 60.853 60.853 59.945 0.908 17613 100 1 . 1 1 19 19 LYS CB C 19 32.326 32.326 32.103 0.223 17613 101 1 . 1 1 19 19 LYS H H 19 8.532 8.532 7.914 0.618 17613 102 1 . 1 1 20 20 LYS N N 20 116.284 116.284 118.510 -2.226 17613 103 1 . 1 1 20 20 LYS HA H 20 4.087 4.087 4.143 -0.056 17613 104 1 . 1 1 20 20 LYS C C 20 178.406 178.406 179.119 -0.713 17613 105 1 . 1 1 20 20 LYS CA C 20 58.539 58.539 58.471 0.068 17613 106 1 . 1 1 20 20 LYS CB C 20 31.981 31.981 31.931 0.050 17613 107 1 . 1 1 20 20 LYS H H 20 7.303 7.303 7.504 -0.201 17613 108 1 . 1 1 21 21 GLU N N 21 118.488 118.488 118.708 -0.220 17613 109 1 . 1 1 21 21 GLU HA H 21 3.963 3.963 4.049 -0.086 17613 110 1 . 1 1 21 21 GLU C C 21 179.088 179.088 179.057 0.031 17613 111 1 . 1 1 21 21 GLU CA C 21 58.894 58.894 59.143 -0.249 17613 112 1 . 1 1 21 21 GLU CB C 21 29.434 29.434 29.507 -0.073 17613 113 1 . 1 1 21 21 GLU H H 21 7.665 7.665 7.937 -0.272 17613 114 1 . 1 1 22 22 VAL N N 22 109.032 109.032 112.936 -3.904 17613 115 1 . 1 1 22 22 VAL HA H 22 4.132 4.132 4.262 -0.130 17613 116 1 . 1 1 22 22 VAL CA C 22 62.799 62.799 63.669 -0.870 17613 117 1 . 1 1 22 22 VAL CB C 22 29.829 29.829 32.160 -2.331 17613 118 1 . 1 1 22 22 VAL H H 22 8.037 8.037 7.856 0.181 17613 119 1 . 1 1 24 24 ASN HA H 24 4.717 4.717 4.611 0.106 17613 120 1 . 1 1 24 24 ASN CA C 24 58.808 58.808 55.220 3.588 17613 121 1 . 1 1 24 24 ASN CB C 24 38.171 38.171 38.413 -0.242 17613 122 1 . 1 1 25 25 GLN HA H 25 4.646 4.646 4.565 0.081 17613 123 1 . 1 1 25 25 GLN C C 25 175.692 175.692 176.414 -0.722 17613 124 1 . 1 1 25 25 GLN CB C 25 29.018 29.018 28.958 0.060 17613 125 1 . 1 1 26 26 GLY N N 26 106.368 106.368 107.569 -1.201 17613 126 1 . 1 1 26 26 GLY C C 26 174.382 174.382 174.241 0.141 17613 127 1 . 1 1 26 26 GLY CA C 26 45.957 45.957 45.610 0.347 17613 128 1 . 1 1 26 26 GLY H H 26 8.020 8.020 7.678 0.342 17613 129 1 . 1 1 27 27 TYR N N 27 119.082 119.082 119.698 -0.616 17613 130 1 . 1 1 27 27 TYR HA H 27 4.433 4.433 4.737 -0.304 17613 131 1 . 1 1 27 27 TYR C C 27 174.528 174.528 175.509 -0.981 17613 132 1 . 1 1 27 27 TYR CA C 27 58.054 58.054 57.230 0.824 17613 133 1 . 1 1 27 27 TYR CB C 27 39.005 39.005 39.056 -0.051 17613 134 1 . 1 1 27 27 TYR H H 27 7.845 7.845 8.038 -0.193 17613 135 1 . 1 1 28 28 GLN N N 28 120.362 120.362 124.374 -4.012 17613 136 1 . 1 1 28 28 GLN HA H 28 4.499 4.499 4.376 0.123 17613 137 1 . 1 1 28 28 GLN C C 28 174.625 174.625 175.430 -0.805 17613 138 1 . 1 1 28 28 GLN CA C 28 54.380 54.380 55.347 -0.967 17613 139 1 . 1 1 28 28 GLN CB C 28 30.455 30.455 28.577 1.878 17613 140 1 . 1 1 28 28 GLN H H 28 8.338 8.338 8.456 -0.118 17613 141 1 . 1 1 29 29 VAL N N 29 123.482 123.482 125.471 -1.989 17613 142 1 . 1 1 29 29 VAL HA H 29 5.043 5.043 4.413 0.630 17613 143 1 . 1 1 29 29 VAL C C 29 175.820 175.820 176.261 -0.441 17613 144 1 . 1 1 29 29 VAL CA C 29 61.488 61.488 62.606 -1.118 17613 145 1 . 1 1 29 29 VAL CB C 29 32.473 32.473 32.089 0.384 17613 146 1 . 1 1 29 29 VAL H H 29 8.776 8.776 8.409 0.366 17613 147 1 . 1 1 30 30 ARG N N 30 127.787 127.787 127.890 -0.103 17613 148 1 . 1 1 30 30 ARG HA H 30 4.740 4.740 4.699 0.041 17613 149 1 . 1 1 30 30 ARG C C 30 173.332 173.332 174.437 -1.105 17613 150 1 . 1 1 30 30 ARG CA C 30 53.788 53.788 53.368 0.420 17613 151 1 . 1 1 30 30 ARG CB C 30 32.391 32.391 32.342 0.049 17613 152 1 . 1 1 30 30 ARG H H 30 9.135 9.135 8.931 0.204 17613 153 1 . 1 1 31 31 ASP N N 31 121.895 121.895 122.837 -0.942 17613 154 1 . 1 1 31 31 ASP HA H 31 5.210 5.210 5.302 -0.092 17613 155 1 . 1 1 31 31 ASP C C 31 175.282 175.282 175.249 0.033 17613 156 1 . 1 1 31 31 ASP CA C 31 53.370 53.370 53.249 0.121 17613 157 1 . 1 1 31 31 ASP CB C 31 42.722 42.722 42.733 -0.011 17613 158 1 . 1 1 31 31 ASP H H 31 8.377 8.377 8.510 -0.133 17613 159 1 . 1 1 32 32 VAL N N 32 120.426 120.426 122.606 -2.180 17613 160 1 . 1 1 32 32 VAL HA H 32 4.248 4.248 4.326 -0.078 17613 161 1 . 1 1 32 32 VAL C C 32 174.114 174.114 174.718 -0.604 17613 162 1 . 1 1 32 32 VAL CA C 32 61.557 61.557 61.326 0.231 17613 163 1 . 1 1 32 32 VAL CB C 32 33.884 33.884 33.398 0.486 17613 164 1 . 1 1 32 32 VAL H H 32 8.441 8.441 8.578 -0.137 17613 165 1 . 1 1 33 33 ASN N N 33 122.700 122.700 123.663 -0.963 17613 166 1 . 1 1 33 33 ASN HA H 33 4.977 4.977 4.895 0.082 17613 167 1 . 1 1 33 33 ASN C C 33 174.235 174.235 174.103 0.132 17613 168 1 . 1 1 33 33 ASN CA C 33 53.396 53.396 53.339 0.057 17613 169 1 . 1 1 33 33 ASN CB C 33 40.869 40.869 40.355 0.514 17613 170 1 . 1 1 33 33 ASN H H 33 9.550 9.550 8.841 0.709 17613 171 1 . 1 1 34 34 ASP N N 34 114.885 114.885 118.458 -3.573 17613 172 1 . 1 1 34 34 ASP HA H 34 4.703 4.703 4.840 -0.137 17613 173 1 . 1 1 34 34 ASP C C 34 175.626 175.626 176.343 -0.717 17613 174 1 . 1 1 34 34 ASP CA C 34 53.483 53.483 52.769 0.714 17613 175 1 . 1 1 34 34 ASP CB C 34 42.396 42.396 43.341 -0.945 17613 176 1 . 1 1 34 34 ASP H H 34 7.616 7.616 7.744 -0.128 17613 177 1 . 1 1 35 35 SER N N 35 114.381 114.381 119.106 -4.725 17613 178 1 . 1 1 35 35 SER HA H 35 4.046 4.046 4.135 -0.089 17613 179 1 . 1 1 35 35 SER C C 35 175.991 175.991 176.141 -0.150 17613 180 1 . 1 1 35 35 SER CA C 35 61.446 61.446 61.637 -0.191 17613 181 1 . 1 1 35 35 SER CB C 35 62.764 62.764 63.258 -0.494 17613 182 1 . 1 1 35 35 SER H H 35 8.869 8.869 8.789 0.080 17613 183 1 . 1 1 36 36 ASP N N 36 124.695 124.695 121.330 3.365 17613 184 1 . 1 1 36 36 ASP HA H 36 4.519 4.519 4.433 0.086 17613 185 1 . 1 1 36 36 ASP C C 36 179.136 179.136 178.365 0.771 17613 186 1 . 1 1 36 36 ASP CA C 36 57.668 57.668 57.496 0.172 17613 187 1 . 1 1 36 36 ASP CB C 36 40.284 40.284 40.799 -0.515 17613 188 1 . 1 1 36 36 ASP H H 36 8.388 8.388 8.258 0.130 17613 189 1 . 1 1 37 37 GLU N N 37 122.449 122.449 119.711 2.738 17613 190 1 . 1 1 37 37 GLU HA H 37 4.059 4.059 4.067 -0.008 17613 191 1 . 1 1 37 37 GLU C C 37 178.698 178.698 178.873 -0.175 17613 192 1 . 1 1 37 37 GLU CA C 37 59.209 59.209 58.787 0.422 17613 193 1 . 1 1 37 37 GLU CB C 37 29.721 29.721 29.353 0.368 17613 194 1 . 1 1 37 37 GLU H H 37 9.009 9.009 7.949 1.060 17613 195 1 . 1 1 38 38 LEU N N 38 119.580 119.580 121.985 -2.405 17613 196 1 . 1 1 38 38 LEU HA H 38 3.911 3.911 3.988 -0.078 17613 197 1 . 1 1 38 38 LEU C C 38 177.649 177.649 178.422 -0.773 17613 198 1 . 1 1 38 38 LEU CA C 38 59.133 59.133 58.473 0.660 17613 199 1 . 1 1 38 38 LEU CB C 38 41.069 41.069 42.002 -0.933 17613 200 1 . 1 1 38 38 LEU H H 38 8.203 8.203 7.930 0.273 17613 201 1 . 1 1 39 39 LYS N N 39 118.404 118.404 118.012 0.392 17613 202 1 . 1 1 39 39 LYS HA H 39 3.841 3.841 3.962 -0.121 17613 203 1 . 1 1 39 39 LYS C C 39 179.577 179.577 179.201 0.376 17613 204 1 . 1 1 39 39 LYS CA C 39 59.866 59.866 59.635 0.231 17613 205 1 . 1 1 39 39 LYS CB C 39 32.048 32.048 32.139 -0.091 17613 206 1 . 1 1 39 39 LYS H H 39 7.829 7.829 7.852 -0.023 17613 207 1 . 1 1 40 40 LYS N N 40 119.271 119.271 119.133 0.138 17613 208 1 . 1 1 40 40 LYS HA H 40 4.022 4.022 4.067 -0.045 17613 209 1 . 1 1 40 40 LYS C C 40 179.577 179.577 179.089 0.488 17613 210 1 . 1 1 40 40 LYS CA C 40 59.590 59.590 59.053 0.537 17613 211 1 . 1 1 40 40 LYS CB C 40 32.400 32.400 32.105 0.295 17613 212 1 . 1 1 40 40 LYS H H 40 7.779 7.779 7.810 -0.031 17613 213 1 . 1 1 41 41 GLU N N 41 119.647 119.647 119.304 0.343 17613 214 1 . 1 1 41 41 GLU HA H 41 4.263 4.263 4.148 0.115 17613 215 1 . 1 1 41 41 GLU C C 41 179.504 179.504 179.021 0.483 17613 216 1 . 1 1 41 41 GLU CA C 41 58.074 58.074 58.619 -0.545 17613 217 1 . 1 1 41 41 GLU CB C 41 28.246 28.246 29.173 -0.927 17613 218 1 . 1 1 41 41 GLU H H 41 8.721 8.721 7.953 0.768 17613 219 1 . 1 1 42 42 MET N N 42 118.114 118.114 118.235 -0.121 17613 220 1 . 1 1 42 42 MET HA H 42 4.383 4.383 4.280 0.103 17613 221 1 . 1 1 42 42 MET C C 42 179.185 179.185 178.522 0.663 17613 222 1 . 1 1 42 42 MET CA C 42 57.054 57.054 57.076 -0.022 17613 223 1 . 1 1 42 42 MET CB C 42 31.254 31.254 31.667 -0.413 17613 224 1 . 1 1 42 42 MET H H 42 8.779 8.779 8.030 0.749 17613 225 1 . 1 1 43 43 LYS N N 43 120.740 120.740 119.779 0.961 17613 226 1 . 1 1 43 43 LYS HA H 43 4.088 4.088 4.034 0.054 17613 227 1 . 1 1 43 43 LYS C C 43 178.187 178.187 179.036 -0.849 17613 228 1 . 1 1 43 43 LYS CA C 43 59.390 59.390 59.205 0.184 17613 229 1 . 1 1 43 43 LYS CB C 43 31.962 31.962 31.917 0.045 17613 230 1 . 1 1 43 43 LYS H H 43 7.499 7.499 7.777 -0.278 17613 231 1 . 1 1 44 44 LYS N N 44 118.269 118.269 119.270 -1.001 17613 232 1 . 1 1 44 44 LYS HA H 44 4.061 4.061 4.204 -0.143 17613 233 1 . 1 1 44 44 LYS C C 44 179.601 179.601 179.157 0.444 17613 234 1 . 1 1 44 44 LYS CA C 44 59.500 59.500 58.429 1.071 17613 235 1 . 1 1 44 44 LYS CB C 44 32.070 32.070 31.983 0.087 17613 236 1 . 1 1 44 44 LYS H H 44 7.445 7.445 7.542 -0.097 17613 237 1 . 1 1 45 45 LEU N N 45 117.785 117.785 118.523 -0.738 17613 238 1 . 1 1 45 45 LEU HA H 45 4.148 4.148 4.096 0.052 17613 239 1 . 1 1 45 45 LEU C C 45 178.357 178.357 178.925 -0.568 17613 240 1 . 1 1 45 45 LEU CA C 45 57.187 57.187 57.645 -0.458 17613 241 1 . 1 1 45 45 LEU CB C 45 41.773 41.773 41.649 0.124 17613 242 1 . 1 1 45 45 LEU H H 45 8.161 8.161 8.027 0.134 17613 243 1 . 1 1 46 46 ALA N N 46 118.538 118.538 120.241 -1.703 17613 244 1 . 1 1 46 46 ALA HA H 46 4.252 4.252 4.313 -0.061 17613 245 1 . 1 1 46 46 ALA C C 46 178.893 178.893 179.008 -0.115 17613 246 1 . 1 1 46 46 ALA CA C 46 53.672 53.672 53.998 -0.326 17613 247 1 . 1 1 46 46 ALA CB C 46 18.882 18.882 18.920 -0.038 17613 248 1 . 1 1 46 46 ALA H H 46 7.637 7.637 7.584 0.053 17613 249 1 . 1 1 47 47 GLU N N 47 115.492 115.492 117.422 -1.930 17613 250 1 . 1 1 47 47 GLU HA H 47 4.250 4.250 4.224 0.026 17613 251 1 . 1 1 47 47 GLU C C 47 176.478 176.478 177.356 -0.878 17613 252 1 . 1 1 47 47 GLU CA C 47 56.931 56.931 57.727 -0.796 17613 253 1 . 1 1 47 47 GLU CB C 47 30.417 30.417 30.209 0.208 17613 254 1 . 1 1 47 47 GLU H H 47 7.713 7.713 7.937 -0.224 17613 255 1 . 1 1 48 48 GLU N N 48 120.573 120.573 119.232 1.341 17613 256 1 . 1 1 48 48 GLU HA H 48 4.373 4.373 4.363 0.010 17613 257 1 . 1 1 48 48 GLU C C 48 173.624 173.624 175.719 -2.095 17613 258 1 . 1 1 48 48 GLU CA C 48 56.021 56.021 55.859 0.162 17613 259 1 . 1 1 48 48 GLU CB C 48 29.910 29.910 29.234 0.676 17613 260 1 . 1 1 48 48 GLU H H 48 7.748 7.748 7.910 -0.162 17613 261 1 . 1 1 49 49 LYS N N 49 124.420 124.420 122.764 1.656 17613 262 1 . 1 1 49 49 LYS HA H 49 4.318 4.318 4.246 0.072 17613 263 1 . 1 1 49 49 LYS C C 49 176.843 176.843 176.075 0.768 17613 264 1 . 1 1 49 49 LYS CA C 49 56.517 56.517 56.525 -0.008 17613 265 1 . 1 1 49 49 LYS CB C 49 32.462 32.462 32.130 0.332 17613 266 1 . 1 1 49 49 LYS H H 49 8.607 8.607 8.078 0.529 17613 267 1 . 1 1 50 50 ASN N N 50 117.993 117.993 119.227 -1.234 17613 268 1 . 1 1 50 50 ASN HA H 50 4.624 4.624 4.594 0.030 17613 269 1 . 1 1 50 50 ASN C C 50 176.454 176.454 174.979 1.475 17613 270 1 . 1 1 50 50 ASN CA C 50 53.555 53.555 52.854 0.700 17613 271 1 . 1 1 50 50 ASN CB C 50 39.036 39.036 38.926 0.110 17613 272 1 . 1 1 50 50 ASN H H 50 8.723 8.723 7.980 0.743 17613 273 1 . 1 1 51 51 PHE N N 51 120.700 120.700 119.091 1.609 17613 274 1 . 1 1 51 51 PHE HA H 51 4.758 4.758 4.605 0.153 17613 275 1 . 1 1 51 51 PHE CA C 51 57.935 57.935 57.628 0.307 17613 276 1 . 1 1 51 51 PHE CB C 51 38.975 38.975 38.538 0.437 17613 277 1 . 1 1 51 51 PHE H H 51 8.341 8.341 8.503 -0.162 17613 278 1 . 1 1 52 52 GLU HA H 52 4.258 4.258 4.213 0.045 17613 279 1 . 1 1 52 52 GLU C C 52 173.600 173.600 175.766 -2.166 17613 280 1 . 1 1 52 52 GLU CA C 52 56.254 56.254 55.712 0.542 17613 281 1 . 1 1 52 52 GLU CB C 52 33.459 33.459 30.741 2.718 17613 282 1 . 1 1 53 53 LYS N N 53 119.964 119.964 124.844 -4.880 17613 283 1 . 1 1 53 53 LYS HA H 53 4.689 4.689 4.378 0.311 17613 284 1 . 1 1 53 53 LYS C C 53 174.430 174.430 175.417 -0.987 17613 285 1 . 1 1 53 53 LYS CA C 53 55.356 55.356 55.428 -0.072 17613 286 1 . 1 1 53 53 LYS CB C 53 31.445 31.445 31.815 -0.370 17613 287 1 . 1 1 53 53 LYS H H 53 7.962 7.962 8.380 -0.418 17613 288 1 . 1 1 54 54 ILE N N 54 124.730 124.730 124.164 0.566 17613 289 1 . 1 1 54 54 ILE HA H 54 4.846 4.846 4.595 0.251 17613 290 1 . 1 1 54 54 ILE C C 54 173.089 173.089 174.817 -1.728 17613 291 1 . 1 1 54 54 ILE CA C 54 59.264 59.264 58.685 0.579 17613 292 1 . 1 1 54 54 ILE CB C 54 41.953 41.953 38.994 2.959 17613 293 1 . 1 1 54 54 ILE H H 54 8.804 8.804 8.164 0.640 17613 294 1 . 1 1 55 55 LEU N N 55 130.086 130.086 128.927 1.159 17613 295 1 . 1 1 55 55 LEU HA H 55 5.641 5.641 5.021 0.620 17613 296 1 . 1 1 55 55 LEU C C 55 174.430 174.430 175.008 -0.578 17613 297 1 . 1 1 55 55 LEU CA C 55 53.502 53.502 53.766 -0.264 17613 298 1 . 1 1 55 55 LEU CB C 55 45.202 45.202 44.837 0.365 17613 299 1 . 1 1 55 55 LEU H H 55 9.103 9.103 8.414 0.689 17613 300 1 . 1 1 56 56 ILE N N 56 125.983 125.983 126.546 -0.563 17613 301 1 . 1 1 56 56 ILE HA H 56 5.057 5.057 4.814 0.243 17613 302 1 . 1 1 56 56 ILE C C 56 174.089 174.089 175.186 -1.097 17613 303 1 . 1 1 56 56 ILE CA C 56 59.110 59.110 58.704 0.406 17613 304 1 . 1 1 56 56 ILE CB C 56 39.823 39.823 38.477 1.346 17613 305 1 . 1 1 56 56 ILE H H 56 9.182 9.182 8.578 0.604 17613 306 1 . 1 1 57 57 ILE N N 57 127.241 127.241 128.327 -1.086 17613 307 1 . 1 1 57 57 ILE HA H 57 4.912 4.912 4.935 -0.023 17613 308 1 . 1 1 57 57 ILE C C 57 174.869 174.869 175.106 -0.237 17613 309 1 . 1 1 57 57 ILE CA C 57 59.255 59.255 60.361 -1.106 17613 310 1 . 1 1 57 57 ILE CB C 57 38.951 38.951 39.975 -1.024 17613 311 1 . 1 1 57 57 ILE H H 57 8.541 8.541 8.681 -0.140 17613 312 1 . 1 1 58 58 SER N N 58 119.270 119.270 120.899 -1.629 17613 313 1 . 1 1 58 58 SER HA H 58 5.007 5.007 5.248 -0.241 17613 314 1 . 1 1 58 58 SER C C 58 174.211 174.211 174.070 0.141 17613 315 1 . 1 1 58 58 SER CA C 58 56.727 56.727 56.333 0.395 17613 316 1 . 1 1 58 58 SER CB C 58 66.615 66.615 65.348 1.267 17613 317 1 . 1 1 58 58 SER H H 58 8.810 8.810 8.532 0.278 17613 318 1 . 1 1 59 59 ASN N N 59 122.382 122.382 124.905 -2.523 17613 319 1 . 1 1 59 59 ASN HA H 59 4.711 4.711 4.976 -0.265 17613 320 1 . 1 1 59 59 ASN C C 59 174.795 174.795 174.755 0.040 17613 321 1 . 1 1 59 59 ASN CA C 59 52.507 52.507 54.047 -1.540 17613 322 1 . 1 1 59 59 ASN CB C 59 38.962 38.962 39.515 -0.553 17613 323 1 . 1 1 59 59 ASN H H 59 8.794 8.794 8.663 0.131 17613 324 1 . 1 1 60 60 ASP N N 60 119.744 119.744 119.777 -0.033 17613 325 1 . 1 1 60 60 ASP HA H 60 4.863 4.863 4.795 0.068 17613 326 1 . 1 1 60 60 ASP C C 60 176.015 176.015 176.269 -0.254 17613 327 1 . 1 1 60 60 ASP CA C 60 53.097 53.097 52.987 0.110 17613 328 1 . 1 1 60 60 ASP CB C 60 42.949 42.949 42.909 0.040 17613 329 1 . 1 1 60 60 ASP H H 60 7.857 7.857 7.500 0.357 17613 330 1 . 1 1 61 61 LYS N N 61 125.818 125.818 125.135 0.683 17613 331 1 . 1 1 61 61 LYS HA H 61 3.722 3.722 4.077 -0.355 17613 332 1 . 1 1 61 61 LYS C C 61 177.673 177.673 178.260 -0.587 17613 333 1 . 1 1 61 61 LYS CA C 61 59.632 59.632 59.355 0.277 17613 334 1 . 1 1 61 61 LYS CB C 61 31.518 31.518 32.149 -0.631 17613 335 1 . 1 1 61 61 LYS H H 61 8.904 8.904 8.641 0.263 17613 336 1 . 1 1 62 62 GLN N N 62 118.918 118.918 120.154 -1.236 17613 337 1 . 1 1 62 62 GLN HA H 62 4.105 4.105 4.163 -0.058 17613 338 1 . 1 1 62 62 GLN C C 62 178.747 178.747 177.873 0.874 17613 339 1 . 1 1 62 62 GLN CA C 62 58.301 58.301 58.767 -0.466 17613 340 1 . 1 1 62 62 GLN CB C 62 27.448 27.448 28.105 -0.657 17613 341 1 . 1 1 62 62 GLN H H 62 8.434 8.434 8.008 0.426 17613 342 1 . 1 1 63 63 LEU N N 63 120.071 120.071 119.951 0.120 17613 343 1 . 1 1 63 63 LEU HA H 63 4.134 4.134 4.019 0.115 17613 344 1 . 1 1 63 63 LEU C C 63 178.552 178.552 179.039 -0.487 17613 345 1 . 1 1 63 63 LEU CA C 63 56.643 56.643 57.600 -0.957 17613 346 1 . 1 1 63 63 LEU CB C 63 40.894 40.894 41.638 -0.744 17613 347 1 . 1 1 63 63 LEU H H 63 7.671 7.671 8.081 -0.410 17613 348 1 . 1 1 64 64 LEU N N 64 117.705 117.705 120.169 -2.464 17613 349 1 . 1 1 64 64 LEU HA H 64 3.907 3.907 3.913 -0.006 17613 350 1 . 1 1 64 64 LEU C C 64 172.526 172.526 178.389 -5.863 17613 351 1 . 1 1 64 64 LEU CA C 64 57.778 57.778 58.423 -0.645 17613 352 1 . 1 1 64 64 LEU CB C 64 41.350 41.350 41.867 -0.517 17613 353 1 . 1 1 64 64 LEU H H 64 7.626 7.626 7.775 -0.149 17613 354 1 . 1 1 65 65 LYS N N 65 118.311 118.311 119.106 -0.795 17613 355 1 . 1 1 65 65 LYS HA H 65 3.794 3.794 3.895 -0.101 17613 356 1 . 1 1 65 65 LYS C C 65 178.479 178.479 179.035 -0.556 17613 357 1 . 1 1 65 65 LYS CA C 65 60.226 60.226 60.125 0.101 17613 358 1 . 1 1 65 65 LYS CB C 65 32.266 32.266 32.204 0.062 17613 359 1 . 1 1 65 65 LYS H H 65 8.038 8.038 7.853 0.185 17613 360 1 . 1 1 66 66 GLU N N 66 119.362 119.362 118.759 0.603 17613 361 1 . 1 1 66 66 GLU HA H 66 4.026 4.026 4.044 -0.018 17613 362 1 . 1 1 66 66 GLU C C 66 178.893 178.893 179.063 -0.170 17613 363 1 . 1 1 66 66 GLU CA C 66 59.119 59.119 58.886 0.233 17613 364 1 . 1 1 66 66 GLU CB C 66 29.262 29.262 29.238 0.024 17613 365 1 . 1 1 66 66 GLU H H 66 7.803 7.803 7.903 -0.100 17613 366 1 . 1 1 67 67 MET N N 67 118.398 118.398 120.288 -1.889 17613 367 1 . 1 1 67 67 MET HA H 67 3.948 3.948 4.105 -0.157 17613 368 1 . 1 1 67 67 MET C C 67 177.527 177.527 178.328 -0.801 17613 369 1 . 1 1 67 67 MET CA C 67 59.963 59.963 58.760 1.203 17613 370 1 . 1 1 67 67 MET CB C 67 33.443 33.443 32.500 0.943 17613 371 1 . 1 1 67 67 MET H H 67 8.394 8.394 8.049 0.345 17613 372 1 . 1 1 68 68 LEU N N 68 118.269 118.269 118.193 0.076 17613 373 1 . 1 1 68 68 LEU HA H 68 3.779 3.779 3.830 -0.051 17613 374 1 . 1 1 68 68 LEU C C 68 178.869 178.869 179.333 -0.464 17613 375 1 . 1 1 68 68 LEU CA C 68 57.941 57.941 57.586 0.355 17613 376 1 . 1 1 68 68 LEU CB C 68 40.875 40.875 41.144 -0.269 17613 377 1 . 1 1 68 68 LEU H H 68 8.471 8.471 8.030 0.441 17613 378 1 . 1 1 69 69 GLU N N 69 118.681 118.681 119.506 -0.825 17613 379 1 . 1 1 69 69 GLU HA H 69 4.055 4.055 4.088 -0.033 17613 380 1 . 1 1 69 69 GLU C C 69 179.063 179.063 179.292 -0.229 17613 381 1 . 1 1 69 69 GLU CA C 69 59.424 59.424 59.304 0.120 17613 382 1 . 1 1 69 69 GLU CB C 69 29.140 29.140 29.590 -0.450 17613 383 1 . 1 1 69 69 GLU H H 69 7.627 7.627 7.933 -0.306 17613 384 1 . 1 1 70 70 LEU N N 70 119.503 119.503 120.198 -0.695 17613 385 1 . 1 1 70 70 LEU HA H 70 4.161 4.161 4.060 0.101 17613 386 1 . 1 1 70 70 LEU C C 70 179.699 179.699 179.130 0.569 17613 387 1 . 1 1 70 70 LEU CA C 70 57.774 57.774 57.705 0.069 17613 388 1 . 1 1 70 70 LEU CB C 70 41.944 41.944 42.025 -0.081 17613 389 1 . 1 1 70 70 LEU H H 70 7.717 7.717 7.835 -0.118 17613 390 1 . 1 1 71 71 ILE N N 71 116.791 116.791 119.115 -2.324 17613 391 1 . 1 1 71 71 ILE HA H 71 3.737 3.737 3.656 0.081 17613 392 1 . 1 1 71 71 ILE C C 71 178.357 178.357 178.022 0.335 17613 393 1 . 1 1 71 71 ILE CA C 71 64.242 64.242 65.207 -0.965 17613 394 1 . 1 1 71 71 ILE CB C 71 37.901 37.901 37.661 0.240 17613 395 1 . 1 1 71 71 ILE H H 71 8.598 8.598 8.298 0.300 17613 396 1 . 1 1 72 72 SER N N 72 116.517 116.517 115.486 1.031 17613 397 1 . 1 1 72 72 SER HA H 72 4.365 4.365 4.226 0.139 17613 398 1 . 1 1 72 72 SER C C 72 176.845 176.845 176.068 0.777 17613 399 1 . 1 1 72 72 SER CA C 72 61.365 61.365 61.324 0.041 17613 400 1 . 1 1 72 72 SER CB C 72 62.780 62.780 63.045 -0.265 17613 401 1 . 1 1 72 72 SER H H 72 8.023 8.023 8.077 -0.054 17613 402 1 . 1 1 73 73 LYS N N 73 120.731 120.731 120.007 0.724 17613 403 1 . 1 1 73 73 LYS HA H 73 4.291 4.291 4.118 0.173 17613 404 1 . 1 1 73 73 LYS C C 73 177.771 177.771 177.977 -0.206 17613 405 1 . 1 1 73 73 LYS CA C 73 57.476 57.476 58.025 -0.549 17613 406 1 . 1 1 73 73 LYS CB C 73 32.146 32.146 32.274 -0.128 17613 407 1 . 1 1 73 73 LYS H H 73 7.723 7.723 7.493 0.230 17613 408 1 . 1 1 74 74 LEU N N 74 117.572 117.572 117.336 0.236 17613 409 1 . 1 1 74 74 LEU HA H 74 4.227 4.227 4.114 0.113 17613 410 1 . 1 1 74 74 LEU C C 74 177.332 177.332 177.420 -0.088 17613 411 1 . 1 1 74 74 LEU CA C 74 55.199 55.199 55.189 0.010 17613 412 1 . 1 1 74 74 LEU CB C 74 41.486 41.486 42.299 -0.813 17613 413 1 . 1 1 74 74 LEU H H 74 7.609 7.609 7.386 0.223 17613 414 1 . 1 1 75 75 GLY N N 75 105.991 105.991 105.990 0.001 17613 415 1 . 1 1 75 75 GLY C C 75 174.771 174.771 174.093 0.678 17613 416 1 . 1 1 75 75 GLY CA C 75 45.842 45.842 45.205 0.637 17613 417 1 . 1 1 75 75 GLY H H 75 7.925 7.925 7.724 0.201 17613 418 1 . 1 1 76 76 TYR N N 76 118.452 118.452 118.974 -0.522 17613 419 1 . 1 1 76 76 TYR HA H 76 4.778 4.778 4.618 0.160 17613 420 1 . 1 1 76 76 TYR C C 76 175.234 175.234 175.558 -0.324 17613 421 1 . 1 1 76 76 TYR CA C 76 55.504 55.504 56.034 -0.530 17613 422 1 . 1 1 76 76 TYR CB C 76 37.962 37.962 40.292 -2.330 17613 423 1 . 1 1 76 76 TYR H H 76 7.366 7.366 7.505 -0.139 17613 424 1 . 1 1 77 77 LYS N N 77 122.866 122.866 123.636 -0.770 17613 425 1 . 1 1 77 77 LYS HA H 77 4.548 4.548 4.353 0.195 17613 426 1 . 1 1 77 77 LYS C C 77 174.138 174.138 175.157 -1.019 17613 427 1 . 1 1 77 77 LYS CA C 77 55.070 55.070 55.650 -0.580 17613 428 1 . 1 1 77 77 LYS CB C 77 32.217 32.217 32.249 -0.032 17613 429 1 . 1 1 77 77 LYS H H 77 8.290 8.290 8.631 -0.341 17613 430 1 . 1 1 78 78 VAL N N 78 124.071 124.071 125.613 -1.542 17613 431 1 . 1 1 78 78 VAL HA H 78 5.166 5.166 4.923 0.243 17613 432 1 . 1 1 78 78 VAL C C 78 174.162 174.162 174.759 -0.597 17613 433 1 . 1 1 78 78 VAL CA C 78 60.229 60.229 60.933 -0.704 17613 434 1 . 1 1 78 78 VAL CB C 78 34.355 34.355 33.637 0.718 17613 435 1 . 1 1 78 78 VAL H H 78 7.830 7.830 8.132 -0.302 17613 436 1 . 1 1 79 79 PHE N N 79 126.174 126.174 125.503 0.671 17613 437 1 . 1 1 79 79 PHE HA H 79 4.567 4.567 4.585 -0.018 17613 438 1 . 1 1 79 79 PHE C C 79 173.357 173.357 174.162 -0.805 17613 439 1 . 1 1 79 79 PHE CA C 79 55.953 55.953 56.460 -0.507 17613 440 1 . 1 1 79 79 PHE CB C 79 40.184 40.184 40.179 0.005 17613 441 1 . 1 1 79 79 PHE H H 79 8.374 8.374 8.334 0.040 17613 442 1 . 1 1 80 80 LEU N N 80 123.959 123.959 125.913 -1.954 17613 443 1 . 1 1 80 80 LEU HA H 80 5.546 5.546 5.352 0.194 17613 444 1 . 1 1 80 80 LEU C C 80 173.503 173.503 174.679 -1.176 17613 445 1 . 1 1 80 80 LEU CA C 80 53.998 53.998 53.082 0.916 17613 446 1 . 1 1 80 80 LEU CB C 80 45.667 45.667 45.329 0.338 17613 447 1 . 1 1 80 80 LEU H H 80 8.601 8.601 8.709 -0.108 17613 448 1 . 1 1 81 81 LEU N N 81 126.694 126.694 128.515 -1.821 17613 449 1 . 1 1 81 81 LEU HA H 81 5.269 5.269 5.186 0.083 17613 450 1 . 1 1 81 81 LEU C C 81 173.649 173.649 174.503 -0.854 17613 451 1 . 1 1 81 81 LEU CA C 81 53.064 53.064 53.455 -0.391 17613 452 1 . 1 1 81 81 LEU CB C 81 45.777 45.777 45.042 0.735 17613 453 1 . 1 1 81 81 LEU H H 81 9.063 9.063 8.887 0.176 17613 454 1 . 1 1 82 82 LEU N N 82 124.888 124.888 127.984 -3.096 17613 455 1 . 1 1 82 82 LEU HA H 82 4.911 4.911 4.862 0.049 17613 456 1 . 1 1 82 82 LEU C C 82 174.479 174.479 175.041 -0.562 17613 457 1 . 1 1 82 82 LEU CA C 82 53.135 53.135 53.921 -0.786 17613 458 1 . 1 1 82 82 LEU CB C 82 44.222 44.222 43.121 1.101 17613 459 1 . 1 1 82 82 LEU H H 82 8.864 8.864 8.817 0.047 17613 460 1 . 1 1 83 83 GLN N N 83 122.153 122.153 125.039 -2.886 17613 461 1 . 1 1 83 83 GLN HA H 83 5.260 5.260 5.165 0.095 17613 462 1 . 1 1 83 83 GLN C C 83 174.333 174.333 174.385 -0.052 17613 463 1 . 1 1 83 83 GLN CA C 83 54.586 54.586 54.504 0.082 17613 464 1 . 1 1 83 83 GLN CB C 83 29.870 29.870 31.224 -1.354 17613 465 1 . 1 1 83 83 GLN H H 83 8.437 8.437 8.739 -0.302 17613 466 1 . 1 1 84 84 ASP N N 84 124.451 124.451 126.183 -1.731 17613 467 1 . 1 1 84 84 ASP HA H 84 4.502 4.502 5.021 -0.519 17613 468 1 . 1 1 84 84 ASP C C 84 174.308 174.308 175.610 -1.302 17613 469 1 . 1 1 84 84 ASP CA C 84 54.015 54.015 53.387 0.628 17613 470 1 . 1 1 84 84 ASP CB C 84 43.771 43.771 44.373 -0.603 17613 471 1 . 1 1 84 84 ASP H H 84 8.205 8.205 8.253 -0.048 17613 472 1 . 1 1 85 85 GLN N N 85 120.202 120.202 120.874 -0.672 17613 473 1 . 1 1 85 85 GLN HA H 85 4.334 4.334 4.204 0.130 17613 474 1 . 1 1 85 85 GLN C C 85 175.431 175.431 175.872 -0.441 17613 475 1 . 1 1 85 85 GLN CA C 85 56.595 56.595 57.291 -0.696 17613 476 1 . 1 1 85 85 GLN CB C 85 29.334 29.334 29.353 -0.019 17613 477 1 . 1 1 85 85 GLN H H 85 8.617 8.617 8.606 0.011 17613 478 1 . 1 1 86 86 ASP N N 86 120.508 120.508 121.016 -0.508 17613 479 1 . 1 1 86 86 ASP HA H 86 4.685 4.685 4.773 -0.088 17613 480 1 . 1 1 86 86 ASP C C 86 175.747 175.747 176.013 -0.266 17613 481 1 . 1 1 86 86 ASP CA C 86 53.512 53.512 53.753 -0.241 17613 482 1 . 1 1 86 86 ASP CB C 86 40.957 40.957 41.141 -0.184 17613 483 1 . 1 1 86 86 ASP H H 86 8.691 8.691 8.097 0.594 17613 484 1 . 1 1 87 87 GLU N N 87 123.604 123.604 123.571 0.033 17613 485 1 . 1 1 87 87 GLU HA H 87 4.035 4.035 4.050 -0.015 17613 486 1 . 1 1 87 87 GLU C C 87 177.771 177.771 177.647 0.124 17613 487 1 . 1 1 87 87 GLU CA C 87 58.522 58.522 59.175 -0.653 17613 488 1 . 1 1 87 87 GLU CB C 87 29.575 29.575 29.788 -0.213 17613 489 1 . 1 1 87 87 GLU H H 87 8.642 8.642 8.566 0.076 17613 490 1 . 1 1 88 88 ASN N N 88 118.838 118.838 118.131 0.707 17613 491 1 . 1 1 88 88 ASN HA H 88 4.561 4.561 4.495 0.066 17613 492 1 . 1 1 88 88 ASN C C 88 177.089 177.089 177.429 -0.340 17613 493 1 . 1 1 88 88 ASN CA C 88 55.642 55.642 56.293 -0.651 17613 494 1 . 1 1 88 88 ASN CB C 88 38.166 38.166 37.862 0.304 17613 495 1 . 1 1 88 88 ASN H H 88 8.527 8.527 8.435 0.092 17613 496 1 . 1 1 89 89 GLU N N 89 120.947 120.947 120.292 0.655 17613 497 1 . 1 1 89 89 GLU HA H 89 4.147 4.147 4.221 -0.074 17613 498 1 . 1 1 89 89 GLU C C 89 178.357 178.357 178.941 -0.584 17613 499 1 . 1 1 89 89 GLU CA C 89 58.251 58.251 58.526 -0.275 17613 500 1 . 1 1 89 89 GLU CB C 89 29.244 29.244 29.382 -0.138 17613 501 1 . 1 1 89 89 GLU H H 89 8.221 8.221 7.972 0.249 17613 502 1 . 1 1 90 90 LEU N N 90 119.582 119.582 121.468 -1.886 17613 503 1 . 1 1 90 90 LEU HA H 90 4.205 4.205 4.152 0.053 17613 504 1 . 1 1 90 90 LEU C C 90 177.917 177.917 178.639 -0.722 17613 505 1 . 1 1 90 90 LEU CA C 90 56.944 56.944 57.987 -1.043 17613 506 1 . 1 1 90 90 LEU CB C 90 42.456 42.456 41.883 0.573 17613 507 1 . 1 1 90 90 LEU H H 90 8.047 8.047 8.080 -0.033 17613 508 1 . 1 1 91 91 GLU N N 91 119.029 119.029 119.108 -0.079 17613 509 1 . 1 1 91 91 GLU HA H 91 4.073 4.073 4.011 0.062 17613 510 1 . 1 1 91 91 GLU C C 91 178.284 178.284 178.741 -0.457 17613 511 1 . 1 1 91 91 GLU CA C 91 59.129 59.129 59.547 -0.418 17613 512 1 . 1 1 91 91 GLU CB C 91 28.970 28.970 29.253 -0.283 17613 513 1 . 1 1 91 91 GLU H H 91 7.940 7.940 8.014 -0.074 17613 514 1 . 1 1 92 92 GLU N N 92 118.667 118.667 119.379 -0.712 17613 515 1 . 1 1 92 92 GLU HA H 92 4.032 4.032 4.053 -0.021 17613 516 1 . 1 1 92 92 GLU C C 92 178.103 178.103 179.225 -1.122 17613 517 1 . 1 1 92 92 GLU CA C 92 59.252 59.252 59.183 0.069 17613 518 1 . 1 1 92 92 GLU CB C 92 28.932 28.932 29.457 -0.525 17613 519 1 . 1 1 92 92 GLU H H 92 8.088 8.088 7.778 0.310 17613 520 1 . 1 1 93 93 PHE N N 93 120.118 120.118 119.766 0.352 17613 521 1 . 1 1 93 93 PHE HA H 93 4.340 4.340 4.292 0.048 17613 522 1 . 1 1 93 93 PHE C C 93 176.894 176.894 177.180 -0.286 17613 523 1 . 1 1 93 93 PHE CA C 93 60.445 60.445 60.011 0.434 17613 524 1 . 1 1 93 93 PHE CB C 93 38.987 38.987 39.434 -0.447 17613 525 1 . 1 1 93 93 PHE H H 93 8.103 8.103 8.078 0.025 17613 526 1 . 1 1 94 94 LYS N N 94 118.941 118.941 120.488 -1.547 17613 527 1 . 1 1 94 94 LYS HA H 94 3.617 3.617 3.814 -0.197 17613 528 1 . 1 1 94 94 LYS C C 94 177.600 177.600 178.688 -1.088 17613 529 1 . 1 1 94 94 LYS CA C 94 60.076 60.076 59.652 0.424 17613 530 1 . 1 1 94 94 LYS CB C 94 32.465 32.465 32.435 0.030 17613 531 1 . 1 1 94 94 LYS H H 94 8.606 8.606 8.109 0.497 17613 532 1 . 1 1 95 95 ARG N N 95 117.194 117.194 117.231 -0.037 17613 533 1 . 1 1 95 95 ARG HA H 95 4.150 4.150 4.073 0.077 17613 534 1 . 1 1 95 95 ARG C C 95 179.404 179.404 178.812 0.592 17613 535 1 . 1 1 95 95 ARG CA C 95 59.103 59.103 58.984 0.119 17613 536 1 . 1 1 95 95 ARG CB C 95 29.819 29.819 29.789 0.030 17613 537 1 . 1 1 95 95 ARG H H 95 8.159 8.159 8.037 0.123 17613 538 1 . 1 1 96 96 LYS N N 96 119.582 119.582 119.960 -0.378 17613 539 1 . 1 1 96 96 LYS HA H 96 4.065 4.065 4.061 0.004 17613 540 1 . 1 1 96 96 LYS C C 96 179.034 179.034 178.841 0.193 17613 541 1 . 1 1 96 96 LYS CA C 96 58.934 58.934 59.078 -0.144 17613 542 1 . 1 1 96 96 LYS CB C 96 32.069 32.069 32.061 0.008 17613 543 1 . 1 1 96 96 LYS H H 96 7.786 7.786 7.587 0.199 17613 544 1 . 1 1 97 97 ILE N N 97 118.550 118.550 118.357 0.193 17613 545 1 . 1 1 97 97 ILE HA H 97 3.938 3.938 3.942 -0.004 17613 546 1 . 1 1 97 97 ILE C C 97 178.284 178.284 177.773 0.511 17613 547 1 . 1 1 97 97 ILE CA C 97 62.569 62.569 63.788 -1.219 17613 548 1 . 1 1 97 97 ILE CB C 97 37.206 37.206 37.917 -0.711 17613 549 1 . 1 1 97 97 ILE H H 97 7.831 7.831 7.362 0.469 17613 550 1 . 1 1 98 98 GLU N N 98 121.984 121.984 120.941 1.043 17613 551 1 . 1 1 98 98 GLU HA H 98 4.336 4.336 4.221 0.115 17613 552 1 . 1 1 98 98 GLU C C 98 180.040 180.040 178.938 1.102 17613 553 1 . 1 1 98 98 GLU CA C 98 58.950 58.950 58.898 0.053 17613 554 1 . 1 1 98 98 GLU CB C 98 29.435 29.435 29.474 -0.039 17613 555 1 . 1 1 98 98 GLU H H 98 8.670 8.670 8.222 0.448 17613 556 1 . 1 1 99 99 SER N N 99 115.499 115.499 114.809 0.690 17613 557 1 . 1 1 99 99 SER HA H 99 4.343 4.343 4.295 0.048 17613 558 1 . 1 1 99 99 SER C C 99 174.820 174.820 175.998 -1.178 17613 559 1 . 1 1 99 99 SER CA C 99 60.410 60.410 60.481 -0.070 17613 560 1 . 1 1 99 99 SER CB C 99 62.680 62.680 63.033 -0.353 17613 561 1 . 1 1 99 99 SER H H 99 8.099 8.099 7.697 0.402 17613 562 1 . 1 1 100 100 GLN N N 100 119.301 119.301 118.707 0.594 17613 563 1 . 1 1 100 100 GLN HA H 100 4.310 4.310 4.256 0.054 17613 564 1 . 1 1 100 100 GLN C C 100 175.857 175.857 175.833 0.024 17613 565 1 . 1 1 100 100 GLN CA C 100 55.926 55.926 55.722 0.204 17613 566 1 . 1 1 100 100 GLN CB C 100 29.212 29.212 28.986 0.226 17613 567 1 . 1 1 100 100 GLN H H 100 7.623 7.623 7.460 0.163 17613 568 1 . 1 1 101 101 GLY N N 101 105.765 105.765 106.523 -0.758 17613 569 1 . 1 1 101 101 GLY C C 101 173.748 173.748 173.885 -0.137 17613 570 1 . 1 1 101 101 GLY CA C 101 45.203 45.203 44.944 0.259 17613 571 1 . 1 1 101 101 GLY H H 101 7.945 7.945 7.502 0.443 17613 572 1 . 1 1 102 102 TYR N N 102 117.993 117.993 118.150 -0.157 17613 573 1 . 1 1 102 102 TYR HA H 102 4.672 4.672 4.545 0.127 17613 574 1 . 1 1 102 102 TYR C C 102 174.747 174.747 175.113 -0.366 17613 575 1 . 1 1 102 102 TYR CA C 102 56.254 56.254 56.470 -0.216 17613 576 1 . 1 1 102 102 TYR CB C 102 39.048 39.048 40.266 -1.218 17613 577 1 . 1 1 102 102 TYR H H 102 6.890 6.890 7.377 -0.488 17613 578 1 . 1 1 103 103 GLU N N 103 122.864 122.864 124.468 -1.605 17613 579 1 . 1 1 103 103 GLU HA H 103 4.507 4.507 4.405 0.102 17613 580 1 . 1 1 103 103 GLU C C 103 174.162 174.162 175.064 -0.902 17613 581 1 . 1 1 103 103 GLU CA C 103 56.384 56.384 55.993 0.391 17613 582 1 . 1 1 103 103 GLU CB C 103 30.371 30.371 29.108 1.263 17613 583 1 . 1 1 103 103 GLU H H 103 8.318 8.318 8.733 -0.415 17613 584 1 . 1 1 104 104 VAL N N 104 124.342 124.342 126.480 -2.138 17613 585 1 . 1 1 104 104 VAL HA H 104 5.228 5.228 4.795 0.433 17613 586 1 . 1 1 104 104 VAL C C 104 174.235 174.235 175.736 -1.501 17613 587 1 . 1 1 104 104 VAL CA C 104 59.280 59.280 61.272 -1.992 17613 588 1 . 1 1 104 104 VAL CB C 104 34.167 34.167 32.878 1.289 17613 589 1 . 1 1 104 104 VAL H H 104 8.651 8.651 7.970 0.681 17613 590 1 . 1 1 105 105 ARG N N 105 124.856 124.856 127.698 -2.842 17613 591 1 . 1 1 105 105 ARG HA H 105 4.915 4.915 4.807 0.108 17613 592 1 . 1 1 105 105 ARG C C 105 173.917 173.917 175.230 -1.313 17613 593 1 . 1 1 105 105 ARG CA C 105 52.465 52.465 53.586 -1.121 17613 594 1 . 1 1 105 105 ARG CB C 105 32.955 32.955 33.525 -0.570 17613 595 1 . 1 1 105 105 ARG H H 105 8.705 8.705 8.892 -0.187 17613 596 1 . 1 1 106 106 LYS N N 106 121.499 121.499 122.617 -1.118 17613 597 1 . 1 1 106 106 LYS HA H 106 5.578 5.578 5.183 0.396 17613 598 1 . 1 1 106 106 LYS C C 106 174.820 174.820 175.834 -1.014 17613 599 1 . 1 1 106 106 LYS CA C 106 53.868 53.868 55.616 -1.748 17613 600 1 . 1 1 106 106 LYS CB C 106 35.299 35.299 34.295 1.004 17613 601 1 . 1 1 106 106 LYS H H 106 8.807 8.807 8.507 0.300 17613 602 1 . 1 1 107 107 VAL N N 107 118.792 118.792 121.320 -2.528 17613 603 1 . 1 1 107 107 VAL HA H 107 4.615 4.615 4.495 0.120 17613 604 1 . 1 1 107 107 VAL C C 107 173.332 173.332 174.292 -0.960 17613 605 1 . 1 1 107 107 VAL CA C 107 60.222 60.222 60.708 -0.486 17613 606 1 . 1 1 107 107 VAL CB C 107 35.234 35.234 35.509 -0.275 17613 607 1 . 1 1 107 107 VAL H H 107 8.555 8.555 8.233 0.322 17613 608 1 . 1 1 108 108 THR N N 108 114.072 114.072 116.904 -2.832 17613 609 1 . 1 1 108 108 THR HA H 108 4.781 4.781 4.644 0.137 17613 610 1 . 1 1 108 108 THR C C 108 174.625 174.625 174.320 0.305 17613 611 1 . 1 1 108 108 THR CA C 108 62.221 62.221 61.905 0.316 17613 612 1 . 1 1 108 108 THR CB C 108 69.975 69.975 69.945 0.030 17613 613 1 . 1 1 108 108 THR H H 108 8.604 8.604 8.505 0.099 17613 614 1 . 1 1 109 109 ASP N N 109 122.574 122.574 123.333 -0.759 17613 615 1 . 1 1 109 109 ASP HA H 109 4.738 4.738 4.758 -0.020 17613 616 1 . 1 1 109 109 ASP C C 109 175.796 175.796 176.756 -0.960 17613 617 1 . 1 1 109 109 ASP CA C 109 53.849 53.849 54.385 -0.536 17613 618 1 . 1 1 109 109 ASP CB C 109 43.688 43.688 42.619 1.069 17613 619 1 . 1 1 109 109 ASP H H 109 8.036 8.036 7.870 0.166 17613 620 1 . 1 1 110 110 ASP N N 110 122.852 122.852 123.366 -0.514 17613 621 1 . 1 1 110 110 ASP HA H 110 4.095 4.095 4.314 -0.219 17613 622 1 . 1 1 110 110 ASP C C 110 177.527 177.527 177.801 -0.275 17613 623 1 . 1 1 110 110 ASP CA C 110 57.388 57.388 57.619 -0.231 17613 624 1 . 1 1 110 110 ASP CB C 110 40.301 40.301 40.773 -0.472 17613 625 1 . 1 1 110 110 ASP H H 110 8.696 8.696 8.757 -0.061 17613 626 1 . 1 1 111 111 GLU N N 111 119.144 119.144 119.133 0.011 17613 627 1 . 1 1 111 111 GLU HA H 111 3.988 3.988 4.067 -0.079 17613 628 1 . 1 1 111 111 GLU C C 111 179.942 179.942 178.792 1.150 17613 629 1 . 1 1 111 111 GLU CA C 111 59.357 59.357 59.097 0.260 17613 630 1 . 1 1 111 111 GLU CB C 111 28.496 28.496 29.156 -0.660 17613 631 1 . 1 1 111 111 GLU H H 111 8.213 8.213 8.530 -0.317 17613 632 1 . 1 1 112 112 GLU N N 112 121.400 121.400 119.859 1.542 17613 633 1 . 1 1 112 112 GLU HA H 112 3.997 3.997 4.086 -0.089 17613 634 1 . 1 1 112 112 GLU C C 112 178.430 178.430 178.172 0.258 17613 635 1 . 1 1 112 112 GLU CA C 112 58.749 58.749 58.554 0.195 17613 636 1 . 1 1 112 112 GLU CB C 112 29.194 29.194 29.151 0.043 17613 637 1 . 1 1 112 112 GLU H H 112 8.234 8.234 8.390 -0.156 17613 638 1 . 1 1 113 113 ALA N N 113 120.316 120.316 122.426 -2.110 17613 639 1 . 1 1 113 113 ALA HA H 113 3.800 3.800 4.016 -0.216 17613 640 1 . 1 1 113 113 ALA C C 113 178.430 178.430 179.713 -1.283 17613 641 1 . 1 1 113 113 ALA CA C 113 55.382 55.382 55.232 0.150 17613 642 1 . 1 1 113 113 ALA CB C 113 18.602 18.602 18.144 0.458 17613 643 1 . 1 1 113 113 ALA H H 113 8.118 8.118 7.738 0.380 17613 644 1 . 1 1 114 114 LEU N N 114 116.901 116.901 117.416 -0.515 17613 645 1 . 1 1 114 114 LEU HA H 114 3.713 3.713 3.834 -0.121 17613 646 1 . 1 1 114 114 LEU C C 114 178.431 178.431 179.144 -0.713 17613 647 1 . 1 1 114 114 LEU CA C 114 57.675 57.675 57.571 0.104 17613 648 1 . 1 1 114 114 LEU CB C 114 40.936 40.936 41.384 -0.448 17613 649 1 . 1 1 114 114 LEU H H 114 7.743 7.743 7.635 0.108 17613 650 1 . 1 1 115 115 LYS N N 115 119.066 119.066 118.443 0.623 17613 651 1 . 1 1 115 115 LYS HA H 115 3.800 3.800 3.982 -0.182 17613 652 1 . 1 1 115 115 LYS C C 115 179.404 179.404 179.022 0.382 17613 653 1 . 1 1 115 115 LYS CA C 115 59.883 59.883 59.094 0.789 17613 654 1 . 1 1 115 115 LYS CB C 115 32.178 32.178 32.075 0.103 17613 655 1 . 1 1 115 115 LYS H H 115 7.617 7.617 7.403 0.214 17613 656 1 . 1 1 116 116 ILE N N 116 120.613 120.613 119.537 1.076 17613 657 1 . 1 1 116 116 ILE HA H 116 3.460 3.460 3.721 -0.261 17613 658 1 . 1 1 116 116 ILE C C 116 177.016 177.016 177.775 -0.759 17613 659 1 . 1 1 116 116 ILE CA C 116 64.122 64.122 62.703 1.419 17613 660 1 . 1 1 116 116 ILE CB C 116 36.323 36.323 36.515 -0.192 17613 661 1 . 1 1 116 116 ILE H H 116 8.004 8.004 7.917 0.087 17613 662 1 . 1 1 117 117 VAL N N 117 120.234 120.234 120.465 -0.231 17613 663 1 . 1 1 117 117 VAL HA H 117 3.260 3.260 3.636 -0.376 17613 664 1 . 1 1 117 117 VAL C C 117 177.746 177.746 177.814 -0.068 17613 665 1 . 1 1 117 117 VAL CA C 117 67.505 67.505 67.094 0.411 17613 666 1 . 1 1 117 117 VAL CB C 117 30.753 30.753 30.916 -0.163 17613 667 1 . 1 1 117 117 VAL H H 117 8.121 8.121 7.904 0.217 17613 668 1 . 1 1 118 118 ARG N N 118 118.415 118.415 118.755 -0.340 17613 669 1 . 1 1 118 118 ARG HA H 118 3.893 3.893 3.928 -0.035 17613 670 1 . 1 1 118 118 ARG C C 118 178.966 178.966 178.622 0.344 17613 671 1 . 1 1 118 118 ARG CA C 118 60.169 60.169 59.429 0.740 17613 672 1 . 1 1 118 118 ARG CB C 118 29.702 29.702 29.645 0.057 17613 673 1 . 1 1 118 118 ARG H H 118 8.026 8.026 7.655 0.371 17613 674 1 . 1 1 119 119 GLU N N 119 122.419 122.419 120.290 2.129 17613 675 1 . 1 1 119 119 GLU HA H 119 4.027 4.027 4.013 0.014 17613 676 1 . 1 1 119 119 GLU C C 119 179.429 179.429 178.791 0.638 17613 677 1 . 1 1 119 119 GLU CA C 119 59.530 59.530 58.971 0.558 17613 678 1 . 1 1 119 119 GLU CB C 119 28.961 28.961 29.040 -0.079 17613 679 1 . 1 1 119 119 GLU H H 119 7.918 7.918 7.603 0.315 17613 680 1 . 1 1 120 120 PHE N N 120 119.597 119.597 119.247 0.350 17613 681 1 . 1 1 120 120 PHE HA H 120 4.022 4.022 3.887 0.135 17613 682 1 . 1 1 120 120 PHE C C 120 177.698 177.698 178.060 -0.362 17613 683 1 . 1 1 120 120 PHE CA C 120 56.868 56.868 60.268 -3.400 17613 684 1 . 1 1 120 120 PHE CB C 120 36.753 36.753 38.101 -1.348 17613 685 1 . 1 1 120 120 PHE H H 120 8.826 8.826 7.706 1.120 17613 686 1 . 1 1 121 121 MET N N 121 116.596 116.596 117.204 -0.608 17613 687 1 . 1 1 121 121 MET HA H 121 3.931 3.931 3.924 0.007 17613 688 1 . 1 1 121 121 MET C C 121 179.577 179.577 178.693 0.884 17613 689 1 . 1 1 121 121 MET CA C 121 59.785 59.785 58.742 1.043 17613 690 1 . 1 1 121 121 MET CB C 121 33.643 33.643 32.050 1.593 17613 691 1 . 1 1 121 121 MET H H 121 8.317 8.317 8.230 0.087 17613 692 1 . 1 1 122 122 GLN N N 122 120.565 120.565 120.116 0.449 17613 693 1 . 1 1 122 122 GLN HA H 122 4.135 4.135 3.988 0.147 17613 694 1 . 1 1 122 122 GLN C C 122 178.893 178.893 177.971 0.922 17613 695 1 . 1 1 122 122 GLN CA C 122 58.745 58.745 59.118 -0.373 17613 696 1 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.546 -0.526 17613 697 1 . 1 1 122 122 GLN H H 122 8.054 8.054 7.916 0.138 17613 698 1 . 1 1 123 123 LYS N N 123 121.605 121.605 119.378 2.227 17613 699 1 . 1 1 123 123 LYS HA H 123 4.025 4.025 4.062 -0.037 17613 700 1 . 1 1 123 123 LYS C C 123 179.307 179.307 179.016 0.291 17613 701 1 . 1 1 123 123 LYS CA C 123 59.243 59.243 59.070 0.173 17613 702 1 . 1 1 123 123 LYS CB C 123 32.306 32.306 32.305 0.001 17613 703 1 . 1 1 123 123 LYS H H 123 8.400 8.400 7.930 0.470 17613 704 1 . 1 1 124 124 ALA N N 124 121.873 121.873 121.072 0.801 17613 705 1 . 1 1 124 124 ALA HA H 124 4.144 4.144 4.231 -0.087 17613 706 1 . 1 1 124 124 ALA C C 124 179.112 179.112 179.577 -0.465 17613 707 1 . 1 1 124 124 ALA CA C 124 54.652 54.652 54.801 -0.148 17613 708 1 . 1 1 124 124 ALA CB C 124 18.934 18.934 18.263 0.671 17613 709 1 . 1 1 124 124 ALA H H 124 8.601 8.601 7.961 0.640 17613 710 1 . 1 1 125 125 GLY N N 125 104.755 104.755 105.566 -0.811 17613 711 1 . 1 1 125 125 GLY C C 125 175.553 175.553 176.138 -0.585 17613 712 1 . 1 1 125 125 GLY CA C 125 46.291 46.291 46.926 -0.635 17613 713 1 . 1 1 125 125 GLY H H 125 7.949 7.949 8.095 -0.146 17613 714 1 . 1 1 126 126 SER N N 126 116.080 116.080 116.917 -0.837 17613 715 1 . 1 1 126 126 SER HA H 126 4.447 4.447 4.347 0.100 17613 716 1 . 1 1 126 126 SER C C 126 175.504 175.504 176.130 -0.626 17613 717 1 . 1 1 126 126 SER CA C 126 59.965 59.965 61.234 -1.269 17613 718 1 . 1 1 126 126 SER CB C 126 63.460 63.460 63.218 0.242 17613 719 1 . 1 1 126 126 SER H H 126 7.861 7.861 7.629 0.232 17613 720 1 . 1 1 127 127 LEU N N 127 122.372 122.372 121.061 1.311 17613 721 1 . 1 1 127 127 LEU HA H 127 4.282 4.282 4.231 0.051 17613 722 1 . 1 1 127 127 LEU C C 127 177.990 177.990 178.444 -0.454 17613 723 1 . 1 1 127 127 LEU CA C 127 56.217 56.217 56.919 -0.702 17613 724 1 . 1 1 127 127 LEU CB C 127 42.073 42.073 41.962 0.111 17613 725 1 . 1 1 127 127 LEU H H 127 7.882 7.882 7.581 0.300 17613 726 1 . 1 1 128 128 GLU N N 128 119.775 119.775 117.536 2.239 17613 727 1 . 1 1 128 128 GLU HA H 128 3.908 3.908 4.082 -0.174 17613 728 1 . 1 1 128 128 GLU CA C 128 57.611 57.611 57.832 -0.221 17613 729 1 . 1 1 128 128 GLU CB C 128 29.830 29.830 29.767 0.062 17613 730 1 . 1 1 128 128 GLU H H 128 8.084 8.084 7.819 0.265 17613 731 1 . 1 1 131 131 HIS N N 131 125.272 125.272 121.887 3.385 17613 732 1 . 1 1 131 131 HIS H H 131 8.059 8.059 8.063 -0.004 17613 stop_ save_