data_19449 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19449 _Entry.PDB_ID 2MCQ 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 19449 _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 2 2 ALA N N 2 124.143 124.143 125.190 -1.047 19449 2 1 1 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.142 0.292 19449 3 1 1 . 1 1 2 2 ALA C C 2 177.129 177.129 176.387 0.742 19449 4 1 1 . 1 1 2 2 ALA CA C 2 52.125 52.125 52.663 -0.538 19449 5 1 1 . 1 1 2 2 ALA CB C 2 20.239 20.239 17.404 2.835 19449 6 1 1 . 1 1 2 2 ALA H H 2 7.998 7.998 8.561 -0.563 19449 7 1 1 . 1 1 3 3 ILE N N 3 120.462 120.462 118.128 2.334 19449 8 1 1 . 1 1 3 3 ILE HA H 3 4.344 4.344 3.999 0.345 19449 9 1 1 . 1 1 3 3 ILE C C 3 173.994 173.994 176.274 -2.280 19449 10 1 1 . 1 1 3 3 ILE CA C 3 59.558 59.558 61.377 -1.819 19449 11 1 1 . 1 1 3 3 ILE CB C 3 39.826 39.826 38.903 0.923 19449 12 1 1 . 1 1 3 3 ILE H H 3 8.659 8.659 7.694 0.965 19449 13 1 1 . 1 1 4 4 SER N N 4 122.216 122.216 122.435 -0.219 19449 14 1 1 . 1 1 4 4 SER HA H 4 4.532 4.532 4.325 0.207 19449 15 1 1 . 1 1 4 4 SER C C 4 174.562 174.562 175.452 -0.890 19449 16 1 1 . 1 1 4 4 SER CA C 4 57.162 57.162 59.250 -2.088 19449 17 1 1 . 1 1 4 4 SER CB C 4 65.966 65.966 63.707 2.259 19449 18 1 1 . 1 1 4 4 SER H H 4 8.376 8.376 8.442 -0.066 19449 19 1 1 . 1 1 5 5 ALA N N 5 124.531 124.531 126.389 -1.858 19449 20 1 1 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.834 -0.309 19449 21 1 1 . 1 1 5 5 ALA C C 5 179.834 179.834 178.336 1.498 19449 22 1 1 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.369 1.147 19449 23 1 1 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.645 -0.595 19449 24 1 1 . 1 1 5 5 ALA H H 5 8.986 8.986 8.726 0.260 19449 25 1 1 . 1 1 6 6 GLU N N 6 117.333 117.333 115.171 2.162 19449 26 1 1 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.208 -0.286 19449 27 1 1 . 1 1 6 6 GLU C C 6 179.125 179.125 177.880 1.245 19449 28 1 1 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.197 1.547 19449 29 1 1 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.959 0.311 19449 30 1 1 . 1 1 6 6 GLU H H 6 8.526 8.526 8.519 0.007 19449 31 1 1 . 1 1 7 7 GLU N N 7 120.933 120.933 119.032 1.901 19449 32 1 1 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.240 -0.366 19449 33 1 1 . 1 1 7 7 GLU C C 7 178.705 178.705 178.017 0.688 19449 34 1 1 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.466 1.550 19449 35 1 1 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.736 -0.128 19449 36 1 1 . 1 1 7 7 GLU H H 7 7.696 7.696 7.579 0.117 19449 37 1 1 . 1 1 8 8 LEU N N 8 120.345 120.345 119.710 0.635 19449 38 1 1 . 1 1 8 8 LEU HA H 8 3.728 3.728 4.002 -0.274 19449 39 1 1 . 1 1 8 8 LEU C C 8 177.984 177.984 177.820 0.164 19449 40 1 1 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.895 0.043 19449 41 1 1 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.665 0.078 19449 42 1 1 . 1 1 8 8 LEU H H 8 8.092 8.092 7.199 0.893 19449 43 1 1 . 1 1 9 9 GLU N N 9 118.656 118.656 116.675 1.981 19449 44 1 1 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.944 -0.416 19449 45 1 1 . 1 1 9 9 GLU C C 9 177.280 177.280 178.414 -1.134 19449 46 1 1 . 1 1 9 9 GLU CA C 9 60.629 60.629 59.043 1.586 19449 47 1 1 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.647 0.496 19449 48 1 1 . 1 1 9 9 GLU H H 9 8.104 8.104 8.337 -0.233 19449 49 1 1 . 1 1 10 10 LYS N N 10 117.661 117.661 119.310 -1.649 19449 50 1 1 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.056 -0.283 19449 51 1 1 . 1 1 10 10 LYS C C 10 179.895 179.895 178.084 1.811 19449 52 1 1 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.774 1.147 19449 53 1 1 . 1 1 10 10 LYS CB C 10 32.387 32.387 32.046 0.341 19449 54 1 1 . 1 1 10 10 LYS H H 10 7.565 7.565 7.657 -0.092 19449 55 1 1 . 1 1 11 11 ILE N N 11 119.359 119.359 117.087 2.272 19449 56 1 1 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.865 -0.249 19449 57 1 1 . 1 1 11 11 ILE C C 11 179.908 179.908 177.849 2.059 19449 58 1 1 . 1 1 11 11 ILE CA C 11 64.980 64.980 63.881 1.099 19449 59 1 1 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.373 0.042 19449 60 1 1 . 1 1 11 11 ILE H H 11 7.894 7.894 7.125 0.769 19449 61 1 1 . 1 1 12 12 LEU N N 12 121.478 121.478 120.604 0.874 19449 62 1 1 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.988 -0.015 19449 63 1 1 . 1 1 12 12 LEU C C 12 179.346 179.346 178.551 0.795 19449 64 1 1 . 1 1 12 12 LEU CA C 12 58.306 58.306 57.438 0.868 19449 65 1 1 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.217 1.636 19449 66 1 1 . 1 1 12 12 LEU H H 12 8.180 8.180 7.547 0.633 19449 67 1 1 . 1 1 13 13 LYS N N 13 119.072 119.072 118.421 0.651 19449 68 1 1 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.317 -0.526 19449 69 1 1 . 1 1 13 13 LYS C C 13 177.763 177.763 177.855 -0.092 19449 70 1 1 . 1 1 13 13 LYS CA C 13 57.895 57.895 57.695 0.200 19449 71 1 1 . 1 1 13 13 LYS CB C 13 32.080 32.080 31.973 0.107 19449 72 1 1 . 1 1 13 13 LYS H H 13 8.648 8.648 7.627 1.021 19449 73 1 1 . 1 1 14 14 LYS N N 14 116.972 116.972 118.208 -1.236 19449 74 1 1 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.064 -0.101 19449 75 1 1 . 1 1 14 14 LYS C C 14 178.525 178.525 177.973 0.552 19449 76 1 1 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.436 0.744 19449 77 1 1 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.167 -0.065 19449 78 1 1 . 1 1 14 14 LYS H H 14 7.225 7.225 7.727 -0.502 19449 79 1 1 . 1 1 15 15 SER N N 15 111.938 111.938 111.404 0.534 19449 80 1 1 . 1 1 15 15 SER HA H 15 4.206 4.206 4.220 -0.014 19449 81 1 1 . 1 1 15 15 SER C C 15 172.812 172.812 173.554 -0.742 19449 82 1 1 . 1 1 15 15 SER CA C 15 60.745 60.745 58.855 1.890 19449 83 1 1 . 1 1 15 15 SER CB C 15 64.381 64.381 64.548 -0.167 19449 84 1 1 . 1 1 15 15 SER H H 15 6.913 6.913 7.543 -0.630 19449 85 1 1 . 1 1 16 16 PHE N N 16 118.448 118.448 119.331 -0.883 19449 86 1 1 . 1 1 16 16 PHE HA H 16 4.856 4.856 4.952 -0.096 19449 87 1 1 . 1 1 16 16 PHE CA C 16 54.828 54.828 54.295 0.533 19449 88 1 1 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.490 -0.921 19449 89 1 1 . 1 1 16 16 PHE H H 16 8.222 8.222 7.904 0.318 19449 90 1 1 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.267 0.306 19449 91 1 1 . 1 1 17 17 PRO C C 17 178.807 178.807 177.492 1.315 19449 92 1 1 . 1 1 17 17 PRO CA C 17 65.800 65.800 64.942 0.858 19449 93 1 1 . 1 1 17 17 PRO CB C 17 32.018 32.018 31.933 0.085 19449 94 1 1 . 1 1 18 18 SER N N 18 116.179 116.179 114.216 1.963 19449 95 1 1 . 1 1 18 18 SER HA H 18 4.716 4.716 4.348 0.368 19449 96 1 1 . 1 1 18 18 SER C C 18 174.085 174.085 174.700 -0.615 19449 97 1 1 . 1 1 18 18 SER CA C 18 57.161 57.161 59.617 -2.456 19449 98 1 1 . 1 1 18 18 SER CB C 18 63.144 63.144 62.644 0.500 19449 99 1 1 . 1 1 18 18 SER H H 18 9.427 9.427 8.387 1.040 19449 100 1 1 . 1 1 19 19 SER N N 19 116.639 116.639 116.707 -0.068 19449 101 1 1 . 1 1 19 19 SER HA H 19 4.750 4.750 4.446 0.304 19449 102 1 1 . 1 1 19 19 SER C C 19 175.392 175.392 174.117 1.275 19449 103 1 1 . 1 1 19 19 SER CA C 19 58.398 58.398 59.413 -1.015 19449 104 1 1 . 1 1 19 19 SER CB C 19 66.246 66.246 63.995 2.251 19449 105 1 1 . 1 1 19 19 SER H H 19 7.303 7.303 7.649 -0.346 19449 106 1 1 . 1 1 20 20 VAL N N 20 119.200 119.200 125.591 -6.391 19449 107 1 1 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.131 0.020 19449 108 1 1 . 1 1 20 20 VAL C C 20 175.866 175.866 174.531 1.335 19449 109 1 1 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.868 0.765 19449 110 1 1 . 1 1 20 20 VAL CB C 20 33.213 33.213 31.892 1.321 19449 111 1 1 . 1 1 20 20 VAL H H 20 8.354 8.354 8.307 0.047 19449 112 1 1 . 1 1 21 21 ILE N N 21 128.342 128.342 129.131 -0.789 19449 113 1 1 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.637 0.048 19449 114 1 1 . 1 1 21 21 ILE C C 21 174.757 174.757 175.407 -0.650 19449 115 1 1 . 1 1 21 21 ILE CA C 21 60.521 60.521 60.405 0.116 19449 116 1 1 . 1 1 21 21 ILE CB C 21 41.455 41.455 39.144 2.311 19449 117 1 1 . 1 1 21 21 ILE H H 21 8.668 8.668 8.245 0.423 19449 118 1 1 . 1 1 22 22 LYS N N 22 128.866 128.866 127.424 1.442 19449 119 1 1 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.607 -0.064 19449 120 1 1 . 1 1 22 22 LYS C C 22 174.900 174.900 174.514 0.386 19449 121 1 1 . 1 1 22 22 LYS CA C 22 55.561 55.561 55.093 0.469 19449 122 1 1 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.107 -0.617 19449 123 1 1 . 1 1 22 22 LYS H H 22 9.004 9.004 8.062 0.942 19449 124 1 1 . 1 1 23 23 ILE N N 23 127.570 127.570 124.369 3.201 19449 125 1 1 . 1 1 23 23 ILE HA H 23 4.817 4.817 5.012 -0.195 19449 126 1 1 . 1 1 23 23 ILE C C 23 175.206 175.206 176.206 -1.000 19449 127 1 1 . 1 1 23 23 ILE CA C 23 60.258 60.258 59.977 0.281 19449 128 1 1 . 1 1 23 23 ILE CB C 23 40.379 40.379 40.486 -0.106 19449 129 1 1 . 1 1 23 23 ILE H H 23 8.869 8.869 8.329 0.540 19449 130 1 1 . 1 1 24 24 THR N N 24 122.480 122.480 122.002 0.478 19449 131 1 1 . 1 1 24 24 THR HA H 24 4.532 4.532 4.665 -0.133 19449 132 1 1 . 1 1 24 24 THR C C 24 173.003 173.003 172.807 0.196 19449 133 1 1 . 1 1 24 24 THR CA C 24 61.182 61.182 60.733 0.449 19449 134 1 1 . 1 1 24 24 THR CB C 24 71.402 71.402 71.655 -0.253 19449 135 1 1 . 1 1 24 24 THR H H 24 8.856 8.856 8.339 0.517 19449 136 1 1 . 1 1 25 25 ASP N N 25 126.508 126.508 124.928 1.580 19449 137 1 1 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.723 -0.026 19449 138 1 1 . 1 1 25 25 ASP C C 25 176.417 176.417 175.299 1.118 19449 139 1 1 . 1 1 25 25 ASP CA C 25 53.225 53.225 53.725 -0.500 19449 140 1 1 . 1 1 25 25 ASP CB C 25 40.744 40.744 41.040 -0.296 19449 141 1 1 . 1 1 25 25 ASP H H 25 8.984 8.984 8.569 0.415 19449 142 1 1 . 1 1 26 26 LEU N N 26 125.128 125.128 124.962 0.166 19449 143 1 1 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.318 -0.228 19449 144 1 1 . 1 1 26 26 LEU C C 26 177.615 177.615 177.683 -0.068 19449 145 1 1 . 1 1 26 26 LEU CA C 26 56.409 56.409 56.524 -0.115 19449 146 1 1 . 1 1 26 26 LEU CB C 26 42.808 42.808 42.883 -0.075 19449 147 1 1 . 1 1 26 26 LEU H H 26 8.493 8.493 8.844 -0.351 19449 148 1 1 . 1 1 27 27 VAL N N 27 116.931 116.931 114.399 2.532 19449 149 1 1 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.345 -0.333 19449 150 1 1 . 1 1 27 27 VAL C C 27 176.064 176.064 177.074 -1.010 19449 151 1 1 . 1 1 27 27 VAL CA C 27 62.772 62.772 61.934 0.838 19449 152 1 1 . 1 1 27 27 VAL CB C 27 34.397 34.397 32.627 1.770 19449 153 1 1 . 1 1 27 27 VAL H H 27 8.111 8.111 7.482 0.629 19449 154 1 1 . 1 1 28 28 GLY N N 28 111.338 111.338 109.746 1.592 19449 155 1 1 . 1 1 28 28 GLY C C 28 174.054 174.054 174.290 -0.236 19449 156 1 1 . 1 1 28 28 GLY CA C 28 45.634 45.634 46.743 -1.109 19449 157 1 1 . 1 1 28 28 GLY H H 28 8.947 8.947 8.516 0.431 19449 158 1 1 . 1 1 29 29 ASP N N 29 119.343 119.343 117.912 1.431 19449 159 1 1 . 1 1 29 29 ASP C C 29 175.806 175.806 175.783 0.023 19449 160 1 1 . 1 1 29 29 ASP CA C 29 52.520 52.520 54.794 -2.274 19449 161 1 1 . 1 1 29 29 ASP CB C 29 41.120 41.120 41.850 -0.730 19449 162 1 1 . 1 1 29 29 ASP H H 29 7.802 7.802 8.246 -0.444 19449 163 1 1 . 1 1 30 30 GLN N N 30 116.835 116.835 120.104 -3.269 19449 164 1 1 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.594 -1.013 19449 165 1 1 . 1 1 30 30 GLN C C 30 174.351 174.351 175.230 -0.879 19449 166 1 1 . 1 1 30 30 GLN CA C 30 57.299 57.299 54.929 2.370 19449 167 1 1 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.702 -2.352 19449 168 1 1 . 1 1 30 30 GLN H H 30 9.284 9.284 7.894 1.390 19449 169 1 1 . 1 1 31 31 ASP N N 31 114.773 114.773 120.527 -5.754 19449 170 1 1 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.332 0.425 19449 171 1 1 . 1 1 31 31 ASP C C 31 174.994 174.994 174.676 0.318 19449 172 1 1 . 1 1 31 31 ASP CA C 31 53.587 53.587 54.465 -0.878 19449 173 1 1 . 1 1 31 31 ASP CB C 31 42.674 42.674 38.547 4.127 19449 174 1 1 . 1 1 31 31 ASP H H 31 7.762 7.762 8.518 -0.756 19449 175 1 1 . 1 1 32 32 HIS N N 32 116.715 116.715 121.272 -4.557 19449 176 1 1 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.736 0.083 19449 177 1 1 . 1 1 32 32 HIS CA C 32 55.006 55.006 54.707 0.299 19449 178 1 1 . 1 1 32 32 HIS CB C 32 30.246 30.246 30.792 -0.546 19449 179 1 1 . 1 1 32 32 HIS H H 32 7.364 7.364 7.898 -0.534 19449 180 1 1 . 1 1 33 33 TYR N N 33 118.888 118.888 126.363 -7.475 19449 181 1 1 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.630 0.651 19449 182 1 1 . 1 1 33 33 TYR C C 33 175.344 175.344 174.285 1.059 19449 183 1 1 . 1 1 33 33 TYR CA C 33 57.486 57.486 56.566 0.920 19449 184 1 1 . 1 1 33 33 TYR CB C 33 42.046 42.046 39.736 2.310 19449 185 1 1 . 1 1 33 33 TYR H H 33 7.979 7.979 8.508 -0.529 19449 186 1 1 . 1 1 34 34 ALA N N 34 124.471 124.471 126.834 -2.363 19449 187 1 1 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.690 0.289 19449 188 1 1 . 1 1 34 34 ALA C C 34 175.399 175.399 176.023 -0.624 19449 189 1 1 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.831 0.231 19449 190 1 1 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.160 1.260 19449 191 1 1 . 1 1 34 34 ALA H H 34 9.214 9.214 8.867 0.347 19449 192 1 1 . 1 1 35 35 LEU N N 35 124.614 124.614 126.446 -1.832 19449 193 1 1 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.616 0.343 19449 194 1 1 . 1 1 35 35 LEU C C 35 174.694 174.694 175.531 -0.837 19449 195 1 1 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.469 -1.186 19449 196 1 1 . 1 1 35 35 LEU CB C 35 45.575 45.575 44.094 1.481 19449 197 1 1 . 1 1 35 35 LEU H H 35 8.855 8.855 8.974 -0.119 19449 198 1 1 . 1 1 36 36 GLU N N 36 127.949 127.949 123.525 4.424 19449 199 1 1 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.798 0.436 19449 200 1 1 . 1 1 36 36 GLU C C 36 174.441 174.441 174.982 -0.541 19449 201 1 1 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.971 -0.174 19449 202 1 1 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.666 -0.058 19449 203 1 1 . 1 1 36 36 GLU H H 36 9.085 9.085 8.424 0.661 19449 204 1 1 . 1 1 37 37 ILE N N 37 123.414 123.414 126.592 -3.178 19449 205 1 1 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.619 0.576 19449 206 1 1 . 1 1 37 37 ILE C C 37 172.644 172.644 173.529 -0.885 19449 207 1 1 . 1 1 37 37 ILE CA C 37 58.298 58.298 59.231 -0.933 19449 208 1 1 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.246 0.405 19449 209 1 1 . 1 1 37 37 ILE H H 37 8.709 8.709 8.125 0.584 19449 210 1 1 . 1 1 38 38 SER N N 38 123.499 123.499 122.929 0.570 19449 211 1 1 . 1 1 38 38 SER HA H 38 5.989 5.989 5.339 0.650 19449 212 1 1 . 1 1 38 38 SER C C 38 173.645 173.645 172.789 0.856 19449 213 1 1 . 1 1 38 38 SER CA C 38 55.428 55.428 56.241 -0.813 19449 214 1 1 . 1 1 38 38 SER CB C 38 64.017 64.017 64.419 -0.402 19449 215 1 1 . 1 1 38 38 SER H H 38 8.843 8.843 8.035 0.808 19449 216 1 1 . 1 1 39 39 ASP N N 39 122.449 122.449 124.965 -2.516 19449 217 1 1 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.775 -0.337 19449 218 1 1 . 1 1 39 39 ASP C C 39 175.131 175.131 173.858 1.273 19449 219 1 1 . 1 1 39 39 ASP CA C 39 55.009 55.009 54.021 0.988 19449 220 1 1 . 1 1 39 39 ASP CB C 39 46.600 46.600 43.056 3.544 19449 221 1 1 . 1 1 39 39 ASP H H 39 8.211 8.211 8.200 0.011 19449 222 1 1 . 1 1 40 40 ALA N N 40 129.616 129.616 119.218 10.398 19449 223 1 1 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.594 -0.225 19449 224 1 1 . 1 1 40 40 ALA C C 40 180.467 180.467 177.700 2.767 19449 225 1 1 . 1 1 40 40 ALA CA C 40 53.868 53.868 52.448 1.420 19449 226 1 1 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.592 -0.220 19449 227 1 1 . 1 1 40 40 ALA H H 40 8.730 8.730 8.403 0.327 19449 228 1 1 . 1 1 41 41 GLN N N 41 119.804 119.804 118.139 1.665 19449 229 1 1 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.426 -0.456 19449 230 1 1 . 1 1 41 41 GLN C C 41 176.767 176.767 176.482 0.285 19449 231 1 1 . 1 1 41 41 GLN CA C 41 58.257 58.257 56.581 1.676 19449 232 1 1 . 1 1 41 41 GLN CB C 41 29.807 29.807 30.228 -0.421 19449 233 1 1 . 1 1 41 41 GLN H H 41 10.188 10.188 8.180 2.008 19449 234 1 1 . 1 1 42 42 PHE N N 42 114.111 114.111 118.729 -4.618 19449 235 1 1 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.421 0.138 19449 236 1 1 . 1 1 42 42 PHE C C 42 176.183 176.183 174.455 1.728 19449 237 1 1 . 1 1 42 42 PHE CA C 42 55.829 55.829 57.394 -1.565 19449 238 1 1 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.660 -1.048 19449 239 1 1 . 1 1 42 42 PHE H H 42 7.010 7.010 7.819 -0.809 19449 240 1 1 . 1 1 43 43 ASN N N 43 118.260 118.260 118.396 -0.136 19449 241 1 1 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.747 -0.455 19449 242 1 1 . 1 1 43 43 ASN C C 43 176.455 176.455 176.105 0.350 19449 243 1 1 . 1 1 43 43 ASN CA C 43 55.282 55.282 54.011 1.271 19449 244 1 1 . 1 1 43 43 ASN CB C 43 37.930 37.930 38.672 -0.742 19449 245 1 1 . 1 1 43 43 ASN H H 43 7.528 7.528 7.822 -0.293 19449 246 1 1 . 1 1 44 44 GLY N N 44 111.528 111.528 112.062 -0.534 19449 247 1 1 . 1 1 44 44 GLY C C 44 173.888 173.888 174.314 -0.426 19449 248 1 1 . 1 1 44 44 GLY CA C 44 45.606 45.606 44.989 0.617 19449 249 1 1 . 1 1 44 44 GLY H H 44 8.697 8.697 8.390 0.307 19449 250 1 1 . 1 1 45 45 LEU N N 45 120.387 120.387 121.536 -1.149 19449 251 1 1 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.393 0.356 19449 252 1 1 . 1 1 45 45 LEU C C 45 178.175 178.175 176.389 1.786 19449 253 1 1 . 1 1 45 45 LEU CA C 45 53.328 53.328 54.862 -1.534 19449 254 1 1 . 1 1 45 45 LEU CB C 45 44.992 44.992 43.059 1.933 19449 255 1 1 . 1 1 45 45 LEU H H 45 7.565 7.565 7.705 -0.140 19449 256 1 1 . 1 1 46 46 SER N N 46 118.894 118.894 114.326 4.568 19449 257 1 1 . 1 1 46 46 SER HA H 46 4.313 4.313 4.648 -0.335 19449 258 1 1 . 1 1 46 46 SER C C 46 174.896 174.896 175.858 -0.962 19449 259 1 1 . 1 1 46 46 SER CA C 46 57.022 57.022 56.532 0.490 19449 260 1 1 . 1 1 46 46 SER CB C 46 64.252 64.252 64.482 -0.230 19449 261 1 1 . 1 1 46 46 SER H H 46 8.896 8.896 8.088 0.808 19449 262 1 1 . 1 1 47 47 LEU N N 47 124.460 124.460 122.875 1.585 19449 263 1 1 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.494 -0.871 19449 264 1 1 . 1 1 47 47 LEU C C 47 179.220 179.220 178.632 0.588 19449 265 1 1 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.915 1.217 19449 266 1 1 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.315 0.374 19449 267 1 1 . 1 1 47 47 LEU H H 47 8.720 8.720 8.908 -0.188 19449 268 1 1 . 1 1 48 48 ILE N N 48 115.654 115.654 119.525 -3.871 19449 269 1 1 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.926 -0.296 19449 270 1 1 . 1 1 48 48 ILE C C 48 178.433 178.433 177.712 0.721 19449 271 1 1 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.406 0.794 19449 272 1 1 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.584 1.315 19449 273 1 1 . 1 1 48 48 ILE H H 48 7.920 7.920 7.460 0.460 19449 274 1 1 . 1 1 49 49 ASN N N 49 120.529 120.529 119.133 1.396 19449 275 1 1 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.479 0.172 19449 276 1 1 . 1 1 49 49 ASN C C 49 178.478 178.478 177.999 0.479 19449 277 1 1 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.172 -0.476 19449 278 1 1 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.561 0.333 19449 279 1 1 . 1 1 49 49 ASN H H 49 7.449 7.449 8.209 -0.760 19449 280 1 1 . 1 1 50 50 GLN N N 50 122.483 122.483 119.251 3.232 19449 281 1 1 . 1 1 50 50 GLN HA H 50 3.859 3.859 3.727 0.132 19449 282 1 1 . 1 1 50 50 GLN C C 50 177.657 177.657 178.563 -0.906 19449 283 1 1 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.348 0.298 19449 284 1 1 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.825 -0.904 19449 285 1 1 . 1 1 50 50 GLN H H 50 8.664 8.664 8.709 -0.045 19449 286 1 1 . 1 1 51 51 HIS N N 51 116.297 116.297 118.192 -1.895 19449 287 1 1 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.542 -0.671 19449 288 1 1 . 1 1 51 51 HIS CA C 51 59.635 59.635 59.097 0.538 19449 289 1 1 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.344 -0.233 19449 290 1 1 . 1 1 51 51 HIS H H 51 8.206 8.206 7.756 0.450 19449 291 1 1 . 1 1 52 52 LYS N N 52 120.443 120.443 120.405 0.038 19449 292 1 1 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.237 -0.383 19449 293 1 1 . 1 1 52 52 LYS C C 52 178.162 178.162 178.688 -0.526 19449 294 1 1 . 1 1 52 52 LYS CA C 52 60.085 60.085 58.861 1.224 19449 295 1 1 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.570 0.082 19449 296 1 1 . 1 1 52 52 LYS H H 52 8.282 8.282 7.862 0.420 19449 297 1 1 . 1 1 53 53 LEU N N 53 117.663 117.663 120.252 -2.589 19449 298 1 1 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.021 0.100 19449 299 1 1 . 1 1 53 53 LEU C C 53 180.570 180.570 178.917 1.653 19449 300 1 1 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.243 -0.055 19449 301 1 1 . 1 1 53 53 LEU CB C 53 42.854 42.854 41.970 0.884 19449 302 1 1 . 1 1 53 53 LEU H H 53 7.528 7.528 8.541 -1.013 19449 303 1 1 . 1 1 54 54 VAL N N 54 118.963 118.963 115.036 3.927 19449 304 1 1 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.971 -0.321 19449 305 1 1 . 1 1 54 54 VAL C C 54 177.185 177.185 177.278 -0.093 19449 306 1 1 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.095 0.583 19449 307 1 1 . 1 1 54 54 VAL CB C 54 31.630 31.630 30.876 0.754 19449 308 1 1 . 1 1 54 54 VAL H H 54 7.286 7.286 7.773 -0.487 19449 309 1 1 . 1 1 55 55 LYS N N 55 119.061 119.061 117.720 1.341 19449 310 1 1 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.177 -0.592 19449 311 1 1 . 1 1 55 55 LYS C C 55 179.976 179.976 178.102 1.874 19449 312 1 1 . 1 1 55 55 LYS CA C 55 60.866 60.866 57.859 3.007 19449 313 1 1 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.553 -0.810 19449 314 1 1 . 1 1 55 55 LYS H H 55 8.539 8.539 7.456 1.083 19449 315 1 1 . 1 1 56 56 ASN N N 56 117.807 117.807 118.039 -0.232 19449 316 1 1 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.645 -0.297 19449 317 1 1 . 1 1 56 56 ASN C C 56 178.363 178.363 177.219 1.144 19449 318 1 1 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.313 0.612 19449 319 1 1 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.299 -0.656 19449 320 1 1 . 1 1 56 56 ASN H H 56 8.640 8.640 8.209 0.431 19449 321 1 1 . 1 1 57 57 ALA N N 57 122.142 122.142 121.465 0.677 19449 322 1 1 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.293 -0.140 19449 323 1 1 . 1 1 57 57 ALA C C 57 178.976 178.976 177.968 1.008 19449 324 1 1 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.285 0.219 19449 325 1 1 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.890 0.113 19449 326 1 1 . 1 1 57 57 ALA H H 57 7.436 7.436 8.356 -0.920 19449 327 1 1 . 1 1 58 58 LEU N N 58 115.109 115.109 109.088 6.021 19449 328 1 1 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.624 -0.280 19449 329 1 1 . 1 1 58 58 LEU C C 58 177.792 177.792 176.962 0.830 19449 330 1 1 . 1 1 58 58 LEU CA C 58 53.791 53.791 55.333 -1.542 19449 331 1 1 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.425 0.141 19449 332 1 1 . 1 1 58 58 LEU H H 58 7.458 7.458 7.090 0.368 19449 333 1 1 . 1 1 59 59 SER N N 59 117.442 117.442 114.818 2.624 19449 334 1 1 . 1 1 59 59 SER HA H 59 3.967 3.967 4.383 -0.416 19449 335 1 1 . 1 1 59 59 SER C C 59 175.721 175.721 175.311 0.410 19449 336 1 1 . 1 1 59 59 SER CA C 59 62.464 62.464 60.203 2.261 19449 337 1 1 . 1 1 59 59 SER CB C 59 63.058 63.058 62.957 0.101 19449 338 1 1 . 1 1 59 59 SER H H 59 7.559 7.559 7.517 0.042 19449 339 1 1 . 1 1 60 60 GLU N N 60 118.774 118.774 119.913 -1.139 19449 340 1 1 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.335 -0.186 19449 341 1 1 . 1 1 60 60 GLU C C 60 177.223 177.223 177.564 -0.341 19449 342 1 1 . 1 1 60 60 GLU CA C 60 58.231 58.231 57.577 0.654 19449 343 1 1 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.584 0.227 19449 344 1 1 . 1 1 60 60 GLU H H 60 8.491 8.491 8.002 0.489 19449 345 1 1 . 1 1 61 61 ILE N N 61 112.097 112.097 118.101 -6.004 19449 346 1 1 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.126 0.134 19449 347 1 1 . 1 1 61 61 ILE C C 61 177.352 177.352 175.442 1.910 19449 348 1 1 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.694 -0.260 19449 349 1 1 . 1 1 61 61 ILE CB C 61 39.900 39.900 38.955 0.945 19449 350 1 1 . 1 1 61 61 ILE H H 61 7.582 7.582 7.697 -0.115 19449 351 1 1 . 1 1 62 62 LEU N N 62 124.848 124.848 118.400 6.448 19449 352 1 1 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.050 0.143 19449 353 1 1 . 1 1 62 62 LEU C C 62 177.476 177.476 176.594 0.882 19449 354 1 1 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.057 1.552 19449 355 1 1 . 1 1 62 62 LEU CB C 62 41.516 41.516 38.940 2.576 19449 356 1 1 . 1 1 62 62 LEU H H 62 8.113 8.113 7.684 0.429 19449 357 1 1 . 1 1 63 63 ASN N N 63 117.202 117.202 115.765 1.437 19449 358 1 1 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.443 -0.192 19449 359 1 1 . 1 1 63 63 ASN C C 63 174.911 174.911 175.978 -1.067 19449 360 1 1 . 1 1 63 63 ASN CA C 63 55.685 55.685 55.097 0.588 19449 361 1 1 . 1 1 63 63 ASN CB C 63 37.948 37.948 38.838 -0.890 19449 362 1 1 . 1 1 63 63 ASN H H 63 8.507 8.507 8.488 0.019 19449 363 1 1 . 1 1 64 64 LYS N N 64 118.109 118.109 119.507 -1.398 19449 364 1 1 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.376 -0.111 19449 365 1 1 . 1 1 64 64 LYS C C 64 175.964 175.964 175.935 0.029 19449 366 1 1 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.071 2.521 19449 367 1 1 . 1 1 64 64 LYS CB C 64 33.841 33.841 34.156 -0.315 19449 368 1 1 . 1 1 64 64 LYS H H 64 7.691 7.691 8.108 -0.417 19449 369 1 1 . 1 1 65 65 LYS N N 65 116.060 116.060 121.303 -5.243 19449 370 1 1 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.043 0.286 19449 371 1 1 . 1 1 65 65 LYS C C 65 174.912 174.912 176.198 -1.286 19449 372 1 1 . 1 1 65 65 LYS CA C 65 56.422 56.422 56.284 0.138 19449 373 1 1 . 1 1 65 65 LYS CB C 65 34.292 34.292 32.670 1.622 19449 374 1 1 . 1 1 65 65 LYS H H 65 7.805 7.805 8.462 -0.657 19449 375 1 1 . 1 1 66 66 LEU N N 66 118.796 118.796 121.681 -2.885 19449 376 1 1 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.327 0.156 19449 377 1 1 . 1 1 66 66 LEU CA C 66 54.089 54.089 54.991 -0.902 19449 378 1 1 . 1 1 66 66 LEU CB C 66 43.732 43.732 41.483 2.249 19449 379 1 1 . 1 1 66 66 LEU H H 66 7.386 7.386 8.188 -0.802 19449 380 1 1 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.859 -0.328 19449 381 1 1 . 1 1 67 67 HIS CA C 67 57.560 57.560 54.769 2.791 19449 382 1 1 . 1 1 67 67 HIS CB C 67 29.560 29.560 33.173 -3.613 19449 383 1 1 . 1 1 68 68 SER N N 68 113.247 113.247 116.957 -3.710 19449 384 1 1 . 1 1 68 68 SER HA H 68 4.521 4.521 5.072 -0.551 19449 385 1 1 . 1 1 68 68 SER C C 68 172.449 172.449 173.811 -1.362 19449 386 1 1 . 1 1 68 68 SER CA C 68 57.887 57.887 58.049 -0.162 19449 387 1 1 . 1 1 68 68 SER CB C 68 63.781 63.781 63.576 0.205 19449 388 1 1 . 1 1 68 68 SER H H 68 7.505 7.505 8.684 -1.179 19449 389 1 1 . 1 1 69 69 ILE N N 69 122.511 122.511 119.214 3.297 19449 390 1 1 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.651 0.309 19449 391 1 1 . 1 1 69 69 ILE C C 69 173.796 173.796 174.543 -0.747 19449 392 1 1 . 1 1 69 69 ILE CA C 69 59.254 59.254 60.016 -0.762 19449 393 1 1 . 1 1 69 69 ILE CB C 69 41.297 41.297 40.665 0.632 19449 394 1 1 . 1 1 69 69 ILE H H 69 8.172 8.172 8.358 -0.186 19449 395 1 1 . 1 1 70 70 SER N N 70 122.242 122.242 115.726 6.516 19449 396 1 1 . 1 1 70 70 SER HA H 70 4.683 4.683 4.796 -0.113 19449 397 1 1 . 1 1 70 70 SER C C 70 173.443 173.443 173.986 -0.543 19449 398 1 1 . 1 1 70 70 SER CA C 70 56.687 56.687 58.197 -1.510 19449 399 1 1 . 1 1 70 70 SER CB C 70 64.027 64.027 64.309 -0.282 19449 400 1 1 . 1 1 70 70 SER H H 70 8.428 8.428 8.357 0.071 19449 401 1 1 . 1 1 71 71 ILE N N 71 125.615 125.615 128.958 -3.343 19449 402 1 1 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.230 -0.061 19449 403 1 1 . 1 1 71 71 ILE C C 71 173.769 173.769 174.780 -1.011 19449 404 1 1 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.483 1.108 19449 405 1 1 . 1 1 71 71 ILE CB C 71 40.978 40.978 38.685 2.293 19449 406 1 1 . 1 1 71 71 ILE H H 71 8.615 8.615 8.626 -0.011 19449 407 1 1 . 1 1 72 72 LYS N N 72 129.141 129.141 129.156 -0.015 19449 408 1 1 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.526 0.102 19449 409 1 1 . 1 1 72 72 LYS C C 72 174.425 174.425 175.693 -1.268 19449 410 1 1 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.540 -0.262 19449 411 1 1 . 1 1 72 72 LYS CB C 72 35.146 35.146 34.456 0.690 19449 412 1 1 . 1 1 72 72 LYS H H 72 8.419 8.419 8.880 -0.461 19449 413 1 1 . 1 1 73 73 THR N N 73 116.054 116.054 116.046 0.008 19449 414 1 1 . 1 1 73 73 THR HA H 73 4.695 4.695 4.496 0.199 19449 415 1 1 . 1 1 73 73 THR C C 73 174.550 174.550 174.122 0.428 19449 416 1 1 . 1 1 73 73 THR CA C 73 58.793 58.793 61.114 -2.321 19449 417 1 1 . 1 1 73 73 THR CB C 73 68.752 68.752 69.915 -1.163 19449 418 1 1 . 1 1 73 73 THR H H 73 8.258 8.258 8.326 -0.068 19449 419 1 1 . 1 1 74 74 ILE N N 74 124.787 124.787 126.941 -2.154 19449 420 1 1 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.492 -0.261 19449 421 1 1 . 1 1 74 74 ILE C C 74 175.033 175.033 174.561 0.472 19449 422 1 1 . 1 1 74 74 ILE CA C 74 60.813 60.813 60.582 0.231 19449 423 1 1 . 1 1 74 74 ILE CB C 74 40.771 40.771 41.924 -1.153 19449 424 1 1 . 1 1 74 74 ILE H H 74 8.655 8.655 8.234 0.421 19449 425 1 1 . 1 1 75 75 SER N N 75 121.778 121.778 120.501 1.277 19449 426 1 1 . 1 1 75 75 SER HA H 75 4.574 4.574 5.339 -0.765 19449 427 1 1 . 1 1 75 75 SER C C 75 173.153 173.153 174.267 -1.114 19449 428 1 1 . 1 1 75 75 SER CA C 75 58.586 58.586 56.654 1.932 19449 429 1 1 . 1 1 75 75 SER CB C 75 64.245 64.245 66.045 -1.800 19449 430 1 1 . 1 1 75 75 SER H H 75 8.306 8.306 8.264 0.042 19449 431 1 2 . 1 1 2 2 ALA N N 2 124.143 124.143 124.174 -0.031 19449 432 1 2 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.803 -0.369 19449 433 1 2 . 1 1 2 2 ALA C C 2 177.129 177.129 176.691 0.438 19449 434 1 2 . 1 1 2 2 ALA CA C 2 52.125 52.125 51.523 0.602 19449 435 1 2 . 1 1 2 2 ALA CB C 2 20.239 20.239 19.896 0.343 19449 436 1 2 . 1 1 2 2 ALA H H 2 7.998 7.998 8.251 -0.253 19449 437 1 2 . 1 1 3 3 ILE N N 3 120.462 120.462 119.633 0.829 19449 438 1 2 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.294 0.050 19449 439 1 2 . 1 1 3 3 ILE C C 3 173.994 173.994 175.725 -1.731 19449 440 1 2 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.633 -1.075 19449 441 1 2 . 1 1 3 3 ILE CB C 3 39.826 39.826 40.030 -0.204 19449 442 1 2 . 1 1 3 3 ILE H H 3 8.659 8.659 8.303 0.356 19449 443 1 2 . 1 1 4 4 SER N N 4 122.216 122.216 121.221 0.995 19449 444 1 2 . 1 1 4 4 SER HA H 4 4.532 4.532 4.372 0.160 19449 445 1 2 . 1 1 4 4 SER C C 4 174.562 174.562 175.469 -0.907 19449 446 1 2 . 1 1 4 4 SER CA C 4 57.162 57.162 58.906 -1.744 19449 447 1 2 . 1 1 4 4 SER CB C 4 65.966 65.966 63.794 2.172 19449 448 1 2 . 1 1 4 4 SER H H 4 8.376 8.376 8.550 -0.174 19449 449 1 2 . 1 1 5 5 ALA N N 5 124.531 124.531 129.239 -4.708 19449 450 1 2 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.863 -0.338 19449 451 1 2 . 1 1 5 5 ALA C C 5 179.834 179.834 178.551 1.283 19449 452 1 2 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.360 1.156 19449 453 1 2 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.713 -0.663 19449 454 1 2 . 1 1 5 5 ALA H H 5 8.986 8.986 8.655 0.331 19449 455 1 2 . 1 1 6 6 GLU N N 6 117.333 117.333 115.997 1.336 19449 456 1 2 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.195 -0.273 19449 457 1 2 . 1 1 6 6 GLU C C 6 179.125 179.125 178.122 1.003 19449 458 1 2 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.607 1.137 19449 459 1 2 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.877 0.393 19449 460 1 2 . 1 1 6 6 GLU H H 6 8.526 8.526 8.533 -0.007 19449 461 1 2 . 1 1 7 7 GLU N N 7 120.933 120.933 119.373 1.560 19449 462 1 2 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.188 -0.314 19449 463 1 2 . 1 1 7 7 GLU C C 7 178.705 178.705 178.155 0.550 19449 464 1 2 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.536 1.480 19449 465 1 2 . 1 1 7 7 GLU CB C 7 29.609 29.609 30.061 -0.452 19449 466 1 2 . 1 1 7 7 GLU H H 7 7.696 7.696 7.928 -0.232 19449 467 1 2 . 1 1 8 8 LEU N N 8 120.345 120.345 120.087 0.258 19449 468 1 2 . 1 1 8 8 LEU HA H 8 3.728 3.728 4.007 -0.279 19449 469 1 2 . 1 1 8 8 LEU C C 8 177.984 177.984 178.068 -0.084 19449 470 1 2 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.918 0.020 19449 471 1 2 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.897 -0.154 19449 472 1 2 . 1 1 8 8 LEU H H 8 8.092 8.092 7.396 0.696 19449 473 1 2 . 1 1 9 9 GLU N N 9 118.656 118.656 116.544 2.112 19449 474 1 2 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.952 -0.424 19449 475 1 2 . 1 1 9 9 GLU C C 9 177.280 177.280 178.227 -0.947 19449 476 1 2 . 1 1 9 9 GLU CA C 9 60.629 60.629 58.959 1.670 19449 477 1 2 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.975 0.168 19449 478 1 2 . 1 1 9 9 GLU H H 9 8.104 8.104 8.031 0.073 19449 479 1 2 . 1 1 10 10 LYS N N 10 117.661 117.661 119.230 -1.569 19449 480 1 2 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.079 -0.306 19449 481 1 2 . 1 1 10 10 LYS C C 10 179.895 179.895 178.464 1.431 19449 482 1 2 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.610 1.311 19449 483 1 2 . 1 1 10 10 LYS CB C 10 32.387 32.387 32.033 0.354 19449 484 1 2 . 1 1 10 10 LYS H H 10 7.565 7.565 7.792 -0.227 19449 485 1 2 . 1 1 11 11 ILE N N 11 119.359 119.359 117.035 2.324 19449 486 1 2 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.919 -0.303 19449 487 1 2 . 1 1 11 11 ILE C C 11 179.908 179.908 177.027 2.881 19449 488 1 2 . 1 1 11 11 ILE CA C 11 64.980 64.980 63.203 1.777 19449 489 1 2 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.662 -0.247 19449 490 1 2 . 1 1 11 11 ILE H H 11 7.894 7.894 7.328 0.566 19449 491 1 2 . 1 1 12 12 LEU N N 12 121.478 121.478 119.047 2.431 19449 492 1 2 . 1 1 12 12 LEU HA H 12 3.973 3.973 4.237 -0.264 19449 493 1 2 . 1 1 12 12 LEU C C 12 179.346 179.346 178.461 0.885 19449 494 1 2 . 1 1 12 12 LEU CA C 12 58.306 58.306 56.320 1.986 19449 495 1 2 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.582 1.271 19449 496 1 2 . 1 1 12 12 LEU H H 12 8.180 8.180 7.416 0.764 19449 497 1 2 . 1 1 13 13 LYS N N 13 119.072 119.072 118.952 0.120 19449 498 1 2 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.366 -0.575 19449 499 1 2 . 1 1 13 13 LYS C C 13 177.763 177.763 177.231 0.532 19449 500 1 2 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.068 -0.173 19449 501 1 2 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.283 -0.203 19449 502 1 2 . 1 1 13 13 LYS H H 13 8.648 8.648 7.838 0.810 19449 503 1 2 . 1 1 14 14 LYS N N 14 116.972 116.972 117.962 -0.990 19449 504 1 2 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.091 -0.128 19449 505 1 2 . 1 1 14 14 LYS C C 14 178.525 178.525 177.840 0.685 19449 506 1 2 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.468 0.712 19449 507 1 2 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.154 -0.052 19449 508 1 2 . 1 1 14 14 LYS H H 14 7.225 7.225 7.629 -0.404 19449 509 1 2 . 1 1 15 15 SER N N 15 111.938 111.938 111.629 0.309 19449 510 1 2 . 1 1 15 15 SER HA H 15 4.206 4.206 4.319 -0.113 19449 511 1 2 . 1 1 15 15 SER C C 15 172.812 172.812 174.131 -1.319 19449 512 1 2 . 1 1 15 15 SER CA C 15 60.745 60.745 59.226 1.519 19449 513 1 2 . 1 1 15 15 SER CB C 15 64.381 64.381 64.425 -0.044 19449 514 1 2 . 1 1 15 15 SER H H 15 6.913 6.913 8.083 -1.170 19449 515 1 2 . 1 1 16 16 PHE N N 16 118.448 118.448 119.721 -1.273 19449 516 1 2 . 1 1 16 16 PHE HA H 16 4.856 4.856 4.995 -0.139 19449 517 1 2 . 1 1 16 16 PHE CA C 16 54.828 54.828 54.108 0.720 19449 518 1 2 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.131 -0.562 19449 519 1 2 . 1 1 16 16 PHE H H 16 8.222 8.222 7.680 0.542 19449 520 1 2 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.298 0.275 19449 521 1 2 . 1 1 17 17 PRO C C 17 178.807 178.807 177.258 1.549 19449 522 1 2 . 1 1 17 17 PRO CA C 17 65.800 65.800 65.012 0.788 19449 523 1 2 . 1 1 17 17 PRO CB C 17 32.018 32.018 31.903 0.115 19449 524 1 2 . 1 1 18 18 SER N N 18 116.179 116.179 112.692 3.487 19449 525 1 2 . 1 1 18 18 SER HA H 18 4.716 4.716 4.311 0.405 19449 526 1 2 . 1 1 18 18 SER C C 18 174.085 174.085 174.928 -0.843 19449 527 1 2 . 1 1 18 18 SER CA C 18 57.161 57.161 59.671 -2.510 19449 528 1 2 . 1 1 18 18 SER CB C 18 63.144 63.144 62.959 0.185 19449 529 1 2 . 1 1 18 18 SER H H 18 9.427 9.427 8.583 0.844 19449 530 1 2 . 1 1 19 19 SER N N 19 116.639 116.639 117.049 -0.410 19449 531 1 2 . 1 1 19 19 SER HA H 19 4.750 4.750 4.510 0.240 19449 532 1 2 . 1 1 19 19 SER C C 19 175.392 175.392 174.260 1.132 19449 533 1 2 . 1 1 19 19 SER CA C 19 58.398 58.398 58.685 -0.287 19449 534 1 2 . 1 1 19 19 SER CB C 19 66.246 66.246 64.137 2.109 19449 535 1 2 . 1 1 19 19 SER H H 19 7.303 7.303 7.827 -0.524 19449 536 1 2 . 1 1 20 20 VAL N N 20 119.200 119.200 125.454 -6.254 19449 537 1 2 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.146 0.005 19449 538 1 2 . 1 1 20 20 VAL C C 20 175.866 175.866 175.057 0.809 19449 539 1 2 . 1 1 20 20 VAL CA C 20 62.633 62.633 62.021 0.612 19449 540 1 2 . 1 1 20 20 VAL CB C 20 33.213 33.213 32.155 1.058 19449 541 1 2 . 1 1 20 20 VAL H H 20 8.354 8.354 8.018 0.336 19449 542 1 2 . 1 1 21 21 ILE N N 21 128.342 128.342 129.560 -1.218 19449 543 1 2 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.415 0.270 19449 544 1 2 . 1 1 21 21 ILE C C 21 174.757 174.757 175.264 -0.507 19449 545 1 2 . 1 1 21 21 ILE CA C 21 60.521 60.521 60.771 -0.250 19449 546 1 2 . 1 1 21 21 ILE CB C 21 41.455 41.455 38.734 2.721 19449 547 1 2 . 1 1 21 21 ILE H H 21 8.668 8.668 8.456 0.212 19449 548 1 2 . 1 1 22 22 LYS N N 22 128.866 128.866 128.048 0.818 19449 549 1 2 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.662 -0.119 19449 550 1 2 . 1 1 22 22 LYS C C 22 174.900 174.900 174.326 0.574 19449 551 1 2 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.684 0.878 19449 552 1 2 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.671 -1.181 19449 553 1 2 . 1 1 22 22 LYS H H 22 9.004 9.004 8.570 0.434 19449 554 1 2 . 1 1 23 23 ILE N N 23 127.570 127.570 123.726 3.844 19449 555 1 2 . 1 1 23 23 ILE HA H 23 4.817 4.817 5.155 -0.338 19449 556 1 2 . 1 1 23 23 ILE C C 23 175.206 175.206 176.339 -1.133 19449 557 1 2 . 1 1 23 23 ILE CA C 23 60.258 60.258 59.571 0.687 19449 558 1 2 . 1 1 23 23 ILE CB C 23 40.379 40.379 40.521 -0.142 19449 559 1 2 . 1 1 23 23 ILE H H 23 8.869 8.869 8.525 0.344 19449 560 1 2 . 1 1 24 24 THR N N 24 122.480 122.480 121.688 0.792 19449 561 1 2 . 1 1 24 24 THR HA H 24 4.532 4.532 4.691 -0.159 19449 562 1 2 . 1 1 24 24 THR C C 24 173.003 173.003 173.432 -0.429 19449 563 1 2 . 1 1 24 24 THR CA C 24 61.182 61.182 60.897 0.285 19449 564 1 2 . 1 1 24 24 THR CB C 24 71.402 71.402 70.522 0.880 19449 565 1 2 . 1 1 24 24 THR H H 24 8.856 8.856 8.806 0.050 19449 566 1 2 . 1 1 25 25 ASP N N 25 126.508 126.508 125.683 0.825 19449 567 1 2 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.867 -0.170 19449 568 1 2 . 1 1 25 25 ASP C C 25 176.417 176.417 175.439 0.978 19449 569 1 2 . 1 1 25 25 ASP CA C 25 53.225 53.225 53.908 -0.683 19449 570 1 2 . 1 1 25 25 ASP CB C 25 40.744 40.744 39.754 0.990 19449 571 1 2 . 1 1 25 25 ASP H H 25 8.984 8.984 8.781 0.203 19449 572 1 2 . 1 1 26 26 LEU N N 26 125.128 125.128 122.330 2.798 19449 573 1 2 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.409 -0.319 19449 574 1 2 . 1 1 26 26 LEU C C 26 177.615 177.615 177.778 -0.163 19449 575 1 2 . 1 1 26 26 LEU CA C 26 56.409 56.409 55.481 0.928 19449 576 1 2 . 1 1 26 26 LEU CB C 26 42.808 42.808 42.496 0.312 19449 577 1 2 . 1 1 26 26 LEU H H 26 8.493 8.493 8.332 0.161 19449 578 1 2 . 1 1 27 27 VAL N N 27 116.931 116.931 120.532 -3.601 19449 579 1 2 . 1 1 27 27 VAL HA H 27 4.012 4.012 3.963 0.049 19449 580 1 2 . 1 1 27 27 VAL C C 27 176.064 176.064 176.460 -0.396 19449 581 1 2 . 1 1 27 27 VAL CA C 27 62.772 62.772 63.463 -0.691 19449 582 1 2 . 1 1 27 27 VAL CB C 27 34.397 34.397 32.118 2.279 19449 583 1 2 . 1 1 27 27 VAL H H 27 8.111 8.111 7.626 0.485 19449 584 1 2 . 1 1 28 28 GLY N N 28 111.338 111.338 108.659 2.679 19449 585 1 2 . 1 1 28 28 GLY C C 28 174.054 174.054 173.757 0.297 19449 586 1 2 . 1 1 28 28 GLY CA C 28 45.634 45.634 44.721 0.913 19449 587 1 2 . 1 1 28 28 GLY H H 28 8.947 8.947 7.741 1.206 19449 588 1 2 . 1 1 29 29 ASP N N 29 119.343 119.343 119.132 0.211 19449 589 1 2 . 1 1 29 29 ASP C C 29 175.806 175.806 174.788 1.018 19449 590 1 2 . 1 1 29 29 ASP CA C 29 52.520 52.520 55.234 -2.714 19449 591 1 2 . 1 1 29 29 ASP CB C 29 41.120 41.120 40.054 1.065 19449 592 1 2 . 1 1 29 29 ASP H H 29 7.802 7.802 8.203 -0.401 19449 593 1 2 . 1 1 30 30 GLN N N 30 116.835 116.835 118.929 -2.094 19449 594 1 2 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.366 -0.785 19449 595 1 2 . 1 1 30 30 GLN C C 30 174.351 174.351 174.682 -0.331 19449 596 1 2 . 1 1 30 30 GLN CA C 30 57.299 57.299 54.684 2.615 19449 597 1 2 . 1 1 30 30 GLN CB C 30 27.350 27.350 30.640 -3.290 19449 598 1 2 . 1 1 30 30 GLN H H 30 9.284 9.284 7.914 1.370 19449 599 1 2 . 1 1 31 31 ASP N N 31 114.773 114.773 119.821 -5.048 19449 600 1 2 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.498 0.259 19449 601 1 2 . 1 1 31 31 ASP C C 31 174.994 174.994 175.931 -0.937 19449 602 1 2 . 1 1 31 31 ASP CA C 31 53.587 53.587 55.823 -2.236 19449 603 1 2 . 1 1 31 31 ASP CB C 31 42.674 42.674 41.087 1.587 19449 604 1 2 . 1 1 31 31 ASP H H 31 7.762 7.762 8.499 -0.737 19449 605 1 2 . 1 1 32 32 HIS N N 32 116.715 116.715 117.712 -0.997 19449 606 1 2 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.436 0.383 19449 607 1 2 . 1 1 32 32 HIS CA C 32 55.006 55.006 56.730 -1.724 19449 608 1 2 . 1 1 32 32 HIS CB C 32 30.246 30.246 29.809 0.437 19449 609 1 2 . 1 1 32 32 HIS H H 32 7.364 7.364 7.592 -0.228 19449 610 1 2 . 1 1 33 33 TYR N N 33 118.888 118.888 121.385 -2.497 19449 611 1 2 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.358 0.923 19449 612 1 2 . 1 1 33 33 TYR C C 33 175.344 175.344 173.602 1.742 19449 613 1 2 . 1 1 33 33 TYR CA C 33 57.486 57.486 57.232 0.254 19449 614 1 2 . 1 1 33 33 TYR CB C 33 42.046 42.046 42.897 -0.851 19449 615 1 2 . 1 1 33 33 TYR H H 33 7.979 7.979 7.933 0.046 19449 616 1 2 . 1 1 34 34 ALA N N 34 124.471 124.471 124.279 0.192 19449 617 1 2 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.736 0.243 19449 618 1 2 . 1 1 34 34 ALA C C 34 175.399 175.399 175.139 0.260 19449 619 1 2 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.733 0.330 19449 620 1 2 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.747 0.674 19449 621 1 2 . 1 1 34 34 ALA H H 34 9.214 9.214 8.640 0.574 19449 622 1 2 . 1 1 35 35 LEU N N 35 124.614 124.614 128.206 -3.592 19449 623 1 2 . 1 1 35 35 LEU HA H 35 4.959 4.959 5.004 -0.045 19449 624 1 2 . 1 1 35 35 LEU C C 35 174.694 174.694 174.693 0.001 19449 625 1 2 . 1 1 35 35 LEU CA C 35 53.283 53.283 53.698 -0.415 19449 626 1 2 . 1 1 35 35 LEU CB C 35 45.575 45.575 44.486 1.089 19449 627 1 2 . 1 1 35 35 LEU H H 35 8.855 8.855 9.131 -0.276 19449 628 1 2 . 1 1 36 36 GLU N N 36 127.949 127.949 126.845 1.104 19449 629 1 2 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.917 0.317 19449 630 1 2 . 1 1 36 36 GLU C C 36 174.441 174.441 174.829 -0.388 19449 631 1 2 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.054 0.743 19449 632 1 2 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.004 0.604 19449 633 1 2 . 1 1 36 36 GLU H H 36 9.085 9.085 9.267 -0.182 19449 634 1 2 . 1 1 37 37 ILE N N 37 123.414 123.414 126.326 -2.912 19449 635 1 2 . 1 1 37 37 ILE HA H 37 5.195 5.195 5.087 0.108 19449 636 1 2 . 1 1 37 37 ILE C C 37 172.644 172.644 173.902 -1.258 19449 637 1 2 . 1 1 37 37 ILE CA C 37 58.298 58.298 58.774 -0.476 19449 638 1 2 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.592 0.059 19449 639 1 2 . 1 1 37 37 ILE H H 37 8.709 8.709 7.752 0.957 19449 640 1 2 . 1 1 38 38 SER N N 38 123.499 123.499 123.375 0.124 19449 641 1 2 . 1 1 38 38 SER HA H 38 5.989 5.989 5.326 0.663 19449 642 1 2 . 1 1 38 38 SER C C 38 173.645 173.645 172.820 0.825 19449 643 1 2 . 1 1 38 38 SER CA C 38 55.428 55.428 57.599 -2.171 19449 644 1 2 . 1 1 38 38 SER CB C 38 64.017 64.017 64.866 -0.849 19449 645 1 2 . 1 1 38 38 SER H H 38 8.843 8.843 8.274 0.569 19449 646 1 2 . 1 1 39 39 ASP N N 39 122.449 122.449 125.389 -2.940 19449 647 1 2 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.759 -0.321 19449 648 1 2 . 1 1 39 39 ASP C C 39 175.131 175.131 174.729 0.402 19449 649 1 2 . 1 1 39 39 ASP CA C 39 55.009 55.009 51.884 3.125 19449 650 1 2 . 1 1 39 39 ASP CB C 39 46.600 46.600 44.549 2.051 19449 651 1 2 . 1 1 39 39 ASP H H 39 8.211 8.211 8.055 0.156 19449 652 1 2 . 1 1 40 40 ALA N N 40 129.616 129.616 123.043 6.573 19449 653 1 2 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.414 -0.045 19449 654 1 2 . 1 1 40 40 ALA C C 40 180.467 180.467 177.636 2.831 19449 655 1 2 . 1 1 40 40 ALA CA C 40 53.868 53.868 52.999 0.869 19449 656 1 2 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.967 -0.595 19449 657 1 2 . 1 1 40 40 ALA H H 40 8.730 8.730 8.322 0.408 19449 658 1 2 . 1 1 41 41 GLN N N 41 119.804 119.804 116.787 3.017 19449 659 1 2 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.331 -0.361 19449 660 1 2 . 1 1 41 41 GLN C C 41 176.767 176.767 176.404 0.363 19449 661 1 2 . 1 1 41 41 GLN CA C 41 58.257 58.257 56.620 1.637 19449 662 1 2 . 1 1 41 41 GLN CB C 41 29.807 29.807 29.818 -0.011 19449 663 1 2 . 1 1 41 41 GLN H H 41 10.188 10.188 7.767 2.421 19449 664 1 2 . 1 1 42 42 PHE N N 42 114.111 114.111 117.774 -3.663 19449 665 1 2 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.613 -0.054 19449 666 1 2 . 1 1 42 42 PHE C C 42 176.183 176.183 175.581 0.602 19449 667 1 2 . 1 1 42 42 PHE CA C 42 55.829 55.829 55.752 0.077 19449 668 1 2 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.191 -0.579 19449 669 1 2 . 1 1 42 42 PHE H H 42 7.010 7.010 7.104 -0.094 19449 670 1 2 . 1 1 43 43 ASN N N 43 118.260 118.260 120.968 -2.708 19449 671 1 2 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.693 -0.401 19449 672 1 2 . 1 1 43 43 ASN C C 43 176.455 176.455 175.804 0.651 19449 673 1 2 . 1 1 43 43 ASN CA C 43 55.282 55.282 53.488 1.794 19449 674 1 2 . 1 1 43 43 ASN CB C 43 37.930 37.930 36.735 1.195 19449 675 1 2 . 1 1 43 43 ASN H H 43 7.528 7.528 8.183 -0.655 19449 676 1 2 . 1 1 44 44 GLY N N 44 111.528 111.528 106.879 4.649 19449 677 1 2 . 1 1 44 44 GLY C C 44 173.888 173.888 174.282 -0.394 19449 678 1 2 . 1 1 44 44 GLY CA C 44 45.606 45.606 45.151 0.454 19449 679 1 2 . 1 1 44 44 GLY H H 44 8.697 8.697 8.049 0.648 19449 680 1 2 . 1 1 45 45 LEU N N 45 120.387 120.387 121.096 -0.709 19449 681 1 2 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.394 0.355 19449 682 1 2 . 1 1 45 45 LEU C C 45 178.175 178.175 176.148 2.027 19449 683 1 2 . 1 1 45 45 LEU CA C 45 53.328 53.328 55.155 -1.827 19449 684 1 2 . 1 1 45 45 LEU CB C 45 44.992 44.992 42.801 2.191 19449 685 1 2 . 1 1 45 45 LEU H H 45 7.565 7.565 7.949 -0.384 19449 686 1 2 . 1 1 46 46 SER N N 46 118.894 118.894 113.655 5.239 19449 687 1 2 . 1 1 46 46 SER HA H 46 4.313 4.313 4.545 -0.232 19449 688 1 2 . 1 1 46 46 SER C C 46 174.896 174.896 175.970 -1.074 19449 689 1 2 . 1 1 46 46 SER CA C 46 57.022 57.022 56.401 0.620 19449 690 1 2 . 1 1 46 46 SER CB C 46 64.252 64.252 64.737 -0.485 19449 691 1 2 . 1 1 46 46 SER H H 46 8.896 8.896 8.079 0.817 19449 692 1 2 . 1 1 47 47 LEU N N 47 124.460 124.460 124.878 -0.418 19449 693 1 2 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.367 -0.744 19449 694 1 2 . 1 1 47 47 LEU C C 47 179.220 179.220 178.989 0.231 19449 695 1 2 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.814 1.318 19449 696 1 2 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.274 0.415 19449 697 1 2 . 1 1 47 47 LEU H H 47 8.720 8.720 8.943 -0.223 19449 698 1 2 . 1 1 48 48 ILE N N 48 115.654 115.654 118.031 -2.377 19449 699 1 2 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.756 -0.126 19449 700 1 2 . 1 1 48 48 ILE C C 48 178.433 178.433 177.727 0.706 19449 701 1 2 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.413 0.787 19449 702 1 2 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.889 1.010 19449 703 1 2 . 1 1 48 48 ILE H H 48 7.920 7.920 8.070 -0.150 19449 704 1 2 . 1 1 49 49 ASN N N 49 120.529 120.529 118.720 1.809 19449 705 1 2 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.411 0.240 19449 706 1 2 . 1 1 49 49 ASN C C 49 178.478 178.478 177.935 0.543 19449 707 1 2 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.446 -0.750 19449 708 1 2 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.776 0.118 19449 709 1 2 . 1 1 49 49 ASN H H 49 7.449 7.449 8.051 -0.602 19449 710 1 2 . 1 1 50 50 GLN N N 50 122.483 122.483 119.611 2.872 19449 711 1 2 . 1 1 50 50 GLN HA H 50 3.859 3.859 3.677 0.182 19449 712 1 2 . 1 1 50 50 GLN C C 50 177.657 177.657 178.287 -0.630 19449 713 1 2 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.261 0.385 19449 714 1 2 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.547 -0.627 19449 715 1 2 . 1 1 50 50 GLN H H 50 8.664 8.664 8.638 0.026 19449 716 1 2 . 1 1 51 51 HIS N N 51 116.297 116.297 118.453 -2.156 19449 717 1 2 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.288 -0.417 19449 718 1 2 . 1 1 51 51 HIS CA C 51 59.635 59.635 58.874 0.761 19449 719 1 2 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.067 0.044 19449 720 1 2 . 1 1 51 51 HIS H H 51 8.206 8.206 7.716 0.490 19449 721 1 2 . 1 1 52 52 LYS N N 52 120.443 120.443 120.320 0.123 19449 722 1 2 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.158 -0.304 19449 723 1 2 . 1 1 52 52 LYS C C 52 178.162 178.162 178.429 -0.267 19449 724 1 2 . 1 1 52 52 LYS CA C 52 60.085 60.085 58.911 1.174 19449 725 1 2 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.519 0.133 19449 726 1 2 . 1 1 52 52 LYS H H 52 8.282 8.282 7.928 0.354 19449 727 1 2 . 1 1 53 53 LEU N N 53 117.663 117.663 120.146 -2.483 19449 728 1 2 . 1 1 53 53 LEU HA H 53 4.121 4.121 3.962 0.159 19449 729 1 2 . 1 1 53 53 LEU C C 53 180.570 180.570 178.674 1.896 19449 730 1 2 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.489 -0.301 19449 731 1 2 . 1 1 53 53 LEU CB C 53 42.854 42.854 42.045 0.809 19449 732 1 2 . 1 1 53 53 LEU H H 53 7.528 7.528 8.466 -0.938 19449 733 1 2 . 1 1 54 54 VAL N N 54 118.963 118.963 114.234 4.729 19449 734 1 2 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.970 -0.320 19449 735 1 2 . 1 1 54 54 VAL C C 54 177.185 177.185 177.542 -0.357 19449 736 1 2 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.283 0.395 19449 737 1 2 . 1 1 54 54 VAL CB C 54 31.630 31.630 31.172 0.458 19449 738 1 2 . 1 1 54 54 VAL H H 54 7.286 7.286 7.529 -0.243 19449 739 1 2 . 1 1 55 55 LYS N N 55 119.061 119.061 118.332 0.729 19449 740 1 2 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.250 -0.665 19449 741 1 2 . 1 1 55 55 LYS C C 55 179.976 179.976 179.024 0.952 19449 742 1 2 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.384 2.482 19449 743 1 2 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.143 -0.400 19449 744 1 2 . 1 1 55 55 LYS H H 55 8.539 8.539 7.466 1.073 19449 745 1 2 . 1 1 56 56 ASN N N 56 117.807 117.807 119.294 -1.487 19449 746 1 2 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.627 -0.279 19449 747 1 2 . 1 1 56 56 ASN C C 56 178.363 178.363 177.519 0.844 19449 748 1 2 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.686 0.239 19449 749 1 2 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.062 -0.419 19449 750 1 2 . 1 1 56 56 ASN H H 56 8.640 8.640 8.337 0.303 19449 751 1 2 . 1 1 57 57 ALA N N 57 122.142 122.142 122.121 0.021 19449 752 1 2 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.333 -0.180 19449 753 1 2 . 1 1 57 57 ALA C C 57 178.976 178.976 178.196 0.780 19449 754 1 2 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.613 -0.109 19449 755 1 2 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.675 0.328 19449 756 1 2 . 1 1 57 57 ALA H H 57 7.436 7.436 8.507 -1.071 19449 757 1 2 . 1 1 58 58 LEU N N 58 115.109 115.109 110.409 4.700 19449 758 1 2 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.585 -0.241 19449 759 1 2 . 1 1 58 58 LEU C C 58 177.792 177.792 177.700 0.092 19449 760 1 2 . 1 1 58 58 LEU CA C 58 53.791 53.791 56.111 -2.320 19449 761 1 2 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.639 -0.073 19449 762 1 2 . 1 1 58 58 LEU H H 58 7.458 7.458 7.320 0.138 19449 763 1 2 . 1 1 59 59 SER N N 59 117.442 117.442 114.938 2.504 19449 764 1 2 . 1 1 59 59 SER HA H 59 3.967 3.967 4.308 -0.341 19449 765 1 2 . 1 1 59 59 SER C C 59 175.721 175.721 176.030 -0.309 19449 766 1 2 . 1 1 59 59 SER CA C 59 62.464 62.464 61.011 1.454 19449 767 1 2 . 1 1 59 59 SER CB C 59 63.058 63.058 63.391 -0.333 19449 768 1 2 . 1 1 59 59 SER H H 59 7.559 7.559 7.863 -0.304 19449 769 1 2 . 1 1 60 60 GLU N N 60 118.774 118.774 120.739 -1.965 19449 770 1 2 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.255 -0.106 19449 771 1 2 . 1 1 60 60 GLU C C 60 177.223 177.223 177.767 -0.544 19449 772 1 2 . 1 1 60 60 GLU CA C 60 58.231 58.231 58.211 0.021 19449 773 1 2 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.995 -0.184 19449 774 1 2 . 1 1 60 60 GLU H H 60 8.491 8.491 8.482 0.009 19449 775 1 2 . 1 1 61 61 ILE N N 61 112.097 112.097 117.906 -5.809 19449 776 1 2 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.131 0.129 19449 777 1 2 . 1 1 61 61 ILE C C 61 177.352 177.352 175.728 1.624 19449 778 1 2 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.024 0.410 19449 779 1 2 . 1 1 61 61 ILE CB C 61 39.900 39.900 37.757 2.143 19449 780 1 2 . 1 1 61 61 ILE H H 61 7.582 7.582 7.560 0.022 19449 781 1 2 . 1 1 62 62 LEU N N 62 124.848 124.848 117.433 7.415 19449 782 1 2 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.014 0.179 19449 783 1 2 . 1 1 62 62 LEU C C 62 177.476 177.476 176.686 0.790 19449 784 1 2 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.346 1.263 19449 785 1 2 . 1 1 62 62 LEU CB C 62 41.516 41.516 38.607 2.909 19449 786 1 2 . 1 1 62 62 LEU H H 62 8.113 8.113 7.768 0.345 19449 787 1 2 . 1 1 63 63 ASN N N 63 117.202 117.202 116.948 0.254 19449 788 1 2 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.591 -0.340 19449 789 1 2 . 1 1 63 63 ASN C C 63 174.911 174.911 175.718 -0.807 19449 790 1 2 . 1 1 63 63 ASN CA C 63 55.685 55.685 54.461 1.224 19449 791 1 2 . 1 1 63 63 ASN CB C 63 37.948 37.948 39.524 -1.576 19449 792 1 2 . 1 1 63 63 ASN H H 63 8.507 8.507 8.158 0.349 19449 793 1 2 . 1 1 64 64 LYS N N 64 118.109 118.109 116.727 1.382 19449 794 1 2 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.425 -0.160 19449 795 1 2 . 1 1 64 64 LYS C C 64 175.964 175.964 174.607 1.357 19449 796 1 2 . 1 1 64 64 LYS CA C 64 57.592 57.592 56.279 1.313 19449 797 1 2 . 1 1 64 64 LYS CB C 64 33.841 33.841 34.629 -0.788 19449 798 1 2 . 1 1 64 64 LYS H H 64 7.691 7.691 7.488 0.203 19449 799 1 2 . 1 1 65 65 LYS N N 65 116.060 116.060 122.768 -6.708 19449 800 1 2 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.655 -0.326 19449 801 1 2 . 1 1 65 65 LYS C C 65 174.912 174.912 175.421 -0.509 19449 802 1 2 . 1 1 65 65 LYS CA C 65 56.422 56.422 54.980 1.442 19449 803 1 2 . 1 1 65 65 LYS CB C 65 34.292 34.292 32.030 2.262 19449 804 1 2 . 1 1 65 65 LYS H H 65 7.805 7.805 8.375 -0.570 19449 805 1 2 . 1 1 66 66 LEU N N 66 118.796 118.796 123.101 -4.305 19449 806 1 2 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.405 0.078 19449 807 1 2 . 1 1 66 66 LEU CA C 66 54.089 54.089 54.725 -0.636 19449 808 1 2 . 1 1 66 66 LEU CB C 66 43.732 43.732 42.526 1.206 19449 809 1 2 . 1 1 66 66 LEU H H 66 7.386 7.386 8.316 -0.930 19449 810 1 2 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.422 0.109 19449 811 1 2 . 1 1 67 67 HIS CA C 67 57.560 57.560 57.256 0.304 19449 812 1 2 . 1 1 67 67 HIS CB C 67 29.560 29.560 30.577 -1.017 19449 813 1 2 . 1 1 68 68 SER N N 68 113.247 113.247 111.402 1.845 19449 814 1 2 . 1 1 68 68 SER HA H 68 4.521 4.521 4.614 -0.093 19449 815 1 2 . 1 1 68 68 SER C C 68 172.449 172.449 172.829 -0.380 19449 816 1 2 . 1 1 68 68 SER CA C 68 57.887 57.887 57.837 0.050 19449 817 1 2 . 1 1 68 68 SER CB C 68 63.781 63.781 64.408 -0.627 19449 818 1 2 . 1 1 68 68 SER H H 68 7.505 7.505 8.043 -0.538 19449 819 1 2 . 1 1 69 69 ILE N N 69 122.511 122.511 118.336 4.175 19449 820 1 2 . 1 1 69 69 ILE HA H 69 4.960 4.960 5.004 -0.044 19449 821 1 2 . 1 1 69 69 ILE C C 69 173.796 173.796 174.678 -0.882 19449 822 1 2 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.206 0.048 19449 823 1 2 . 1 1 69 69 ILE CB C 69 41.297 41.297 42.037 -0.740 19449 824 1 2 . 1 1 69 69 ILE H H 69 8.172 8.172 8.230 -0.058 19449 825 1 2 . 1 1 70 70 SER N N 70 122.242 122.242 116.499 5.743 19449 826 1 2 . 1 1 70 70 SER HA H 70 4.683 4.683 4.808 -0.125 19449 827 1 2 . 1 1 70 70 SER C C 70 173.443 173.443 173.731 -0.288 19449 828 1 2 . 1 1 70 70 SER CA C 70 56.687 56.687 57.674 -0.987 19449 829 1 2 . 1 1 70 70 SER CB C 70 64.027 64.027 63.706 0.321 19449 830 1 2 . 1 1 70 70 SER H H 70 8.428 8.428 8.280 0.148 19449 831 1 2 . 1 1 71 71 ILE N N 71 125.615 125.615 128.959 -3.344 19449 832 1 2 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.535 -0.366 19449 833 1 2 . 1 1 71 71 ILE C C 71 173.769 173.769 174.376 -0.607 19449 834 1 2 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.125 1.466 19449 835 1 2 . 1 1 71 71 ILE CB C 71 40.978 40.978 38.950 2.028 19449 836 1 2 . 1 1 71 71 ILE H H 71 8.615 8.615 8.811 -0.196 19449 837 1 2 . 1 1 72 72 LYS N N 72 129.141 129.141 128.308 0.833 19449 838 1 2 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.492 0.136 19449 839 1 2 . 1 1 72 72 LYS C C 72 174.425 174.425 175.531 -1.106 19449 840 1 2 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.390 -0.112 19449 841 1 2 . 1 1 72 72 LYS CB C 72 35.146 35.146 34.783 0.363 19449 842 1 2 . 1 1 72 72 LYS H H 72 8.419 8.419 8.762 -0.343 19449 843 1 2 . 1 1 73 73 THR N N 73 116.054 116.054 115.851 0.203 19449 844 1 2 . 1 1 73 73 THR HA H 73 4.695 4.695 4.446 0.249 19449 845 1 2 . 1 1 73 73 THR C C 73 174.550 174.550 174.141 0.409 19449 846 1 2 . 1 1 73 73 THR CA C 73 58.793 58.793 61.196 -2.403 19449 847 1 2 . 1 1 73 73 THR CB C 73 68.752 68.752 69.555 -0.803 19449 848 1 2 . 1 1 73 73 THR H H 73 8.258 8.258 8.289 -0.031 19449 849 1 2 . 1 1 74 74 ILE N N 74 124.787 124.787 127.791 -3.004 19449 850 1 2 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.499 -0.268 19449 851 1 2 . 1 1 74 74 ILE C C 74 175.033 175.033 174.571 0.462 19449 852 1 2 . 1 1 74 74 ILE CA C 74 60.813 60.813 60.720 0.093 19449 853 1 2 . 1 1 74 74 ILE CB C 74 40.771 40.771 41.314 -0.543 19449 854 1 2 . 1 1 74 74 ILE H H 74 8.655 8.655 8.187 0.468 19449 855 1 2 . 1 1 75 75 SER N N 75 121.778 121.778 120.714 1.064 19449 856 1 2 . 1 1 75 75 SER HA H 75 4.574 4.574 5.057 -0.483 19449 857 1 2 . 1 1 75 75 SER C C 75 173.153 173.153 173.210 -0.057 19449 858 1 2 . 1 1 75 75 SER CA C 75 58.586 58.586 57.149 1.437 19449 859 1 2 . 1 1 75 75 SER CB C 75 64.245 64.245 65.309 -1.064 19449 860 1 2 . 1 1 75 75 SER H H 75 8.306 8.306 8.532 -0.226 19449 861 1 3 . 1 1 2 2 ALA N N 2 124.143 124.143 123.364 0.779 19449 862 1 3 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.886 -0.452 19449 863 1 3 . 1 1 2 2 ALA C C 2 177.129 177.129 176.606 0.523 19449 864 1 3 . 1 1 2 2 ALA CA C 2 52.125 52.125 51.546 0.579 19449 865 1 3 . 1 1 2 2 ALA CB C 2 20.239 20.239 20.746 -0.507 19449 866 1 3 . 1 1 2 2 ALA H H 2 7.998 7.998 8.219 -0.221 19449 867 1 3 . 1 1 3 3 ILE N N 3 120.462 120.462 120.057 0.405 19449 868 1 3 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.336 0.008 19449 869 1 3 . 1 1 3 3 ILE C C 3 173.994 173.994 175.026 -1.032 19449 870 1 3 . 1 1 3 3 ILE CA C 3 59.558 59.558 61.035 -1.477 19449 871 1 3 . 1 1 3 3 ILE CB C 3 39.826 39.826 41.276 -1.450 19449 872 1 3 . 1 1 3 3 ILE H H 3 8.659 8.659 8.320 0.339 19449 873 1 3 . 1 1 4 4 SER N N 4 122.216 122.216 121.988 0.228 19449 874 1 3 . 1 1 4 4 SER HA H 4 4.532 4.532 4.389 0.143 19449 875 1 3 . 1 1 4 4 SER C C 4 174.562 174.562 175.621 -1.059 19449 876 1 3 . 1 1 4 4 SER CA C 4 57.162 57.162 58.388 -1.226 19449 877 1 3 . 1 1 4 4 SER CB C 4 65.966 65.966 64.031 1.935 19449 878 1 3 . 1 1 4 4 SER H H 4 8.376 8.376 8.503 -0.127 19449 879 1 3 . 1 1 5 5 ALA N N 5 124.531 124.531 129.466 -4.935 19449 880 1 3 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.959 -0.434 19449 881 1 3 . 1 1 5 5 ALA C C 5 179.834 179.834 178.975 0.859 19449 882 1 3 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.514 1.002 19449 883 1 3 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.506 -0.456 19449 884 1 3 . 1 1 5 5 ALA H H 5 8.986 8.986 8.744 0.242 19449 885 1 3 . 1 1 6 6 GLU N N 6 117.333 117.333 116.638 0.695 19449 886 1 3 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.203 -0.281 19449 887 1 3 . 1 1 6 6 GLU C C 6 179.125 179.125 178.433 0.692 19449 888 1 3 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.680 1.064 19449 889 1 3 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.782 0.489 19449 890 1 3 . 1 1 6 6 GLU H H 6 8.526 8.526 8.851 -0.325 19449 891 1 3 . 1 1 7 7 GLU N N 7 120.933 120.933 119.495 1.438 19449 892 1 3 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.129 -0.255 19449 893 1 3 . 1 1 7 7 GLU C C 7 178.705 178.705 178.275 0.430 19449 894 1 3 . 1 1 7 7 GLU CA C 7 59.016 59.016 58.381 0.635 19449 895 1 3 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.699 -0.090 19449 896 1 3 . 1 1 7 7 GLU H H 7 7.696 7.696 8.258 -0.562 19449 897 1 3 . 1 1 8 8 LEU N N 8 120.345 120.345 120.212 0.133 19449 898 1 3 . 1 1 8 8 LEU HA H 8 3.728 3.728 4.089 -0.361 19449 899 1 3 . 1 1 8 8 LEU C C 8 177.984 177.984 177.978 0.006 19449 900 1 3 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.374 0.564 19449 901 1 3 . 1 1 8 8 LEU CB C 8 41.743 41.743 42.093 -0.350 19449 902 1 3 . 1 1 8 8 LEU H H 8 8.092 8.092 7.436 0.656 19449 903 1 3 . 1 1 9 9 GLU N N 9 118.656 118.656 118.118 0.538 19449 904 1 3 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.916 -0.388 19449 905 1 3 . 1 1 9 9 GLU C C 9 177.280 177.280 178.526 -1.246 19449 906 1 3 . 1 1 9 9 GLU CA C 9 60.629 60.629 59.124 1.505 19449 907 1 3 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.886 0.257 19449 908 1 3 . 1 1 9 9 GLU H H 9 8.104 8.104 7.914 0.190 19449 909 1 3 . 1 1 10 10 LYS N N 10 117.661 117.661 118.724 -1.063 19449 910 1 3 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.029 -0.256 19449 911 1 3 . 1 1 10 10 LYS C C 10 179.895 179.895 178.705 1.190 19449 912 1 3 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.577 1.344 19449 913 1 3 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.890 0.497 19449 914 1 3 . 1 1 10 10 LYS H H 10 7.565 7.565 7.592 -0.027 19449 915 1 3 . 1 1 11 11 ILE N N 11 119.359 119.359 119.325 0.034 19449 916 1 3 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.714 -0.098 19449 917 1 3 . 1 1 11 11 ILE C C 11 179.908 179.908 177.845 2.063 19449 918 1 3 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.827 0.153 19449 919 1 3 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.061 0.354 19449 920 1 3 . 1 1 11 11 ILE H H 11 7.894 7.894 7.282 0.612 19449 921 1 3 . 1 1 12 12 LEU N N 12 121.478 121.478 120.632 0.846 19449 922 1 3 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.818 0.155 19449 923 1 3 . 1 1 12 12 LEU C C 12 179.346 179.346 179.062 0.284 19449 924 1 3 . 1 1 12 12 LEU CA C 12 58.306 58.306 57.908 0.398 19449 925 1 3 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.043 1.810 19449 926 1 3 . 1 1 12 12 LEU H H 12 8.180 8.180 7.823 0.357 19449 927 1 3 . 1 1 13 13 LYS N N 13 119.072 119.072 118.026 1.046 19449 928 1 3 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.164 -0.373 19449 929 1 3 . 1 1 13 13 LYS C C 13 177.763 177.763 178.045 -0.282 19449 930 1 3 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.640 -0.745 19449 931 1 3 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.077 0.003 19449 932 1 3 . 1 1 13 13 LYS H H 13 8.648 8.648 8.391 0.257 19449 933 1 3 . 1 1 14 14 LYS N N 14 116.972 116.972 117.155 -0.183 19449 934 1 3 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.088 -0.125 19449 935 1 3 . 1 1 14 14 LYS C C 14 178.525 178.525 177.843 0.682 19449 936 1 3 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.225 0.955 19449 937 1 3 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.434 -0.333 19449 938 1 3 . 1 1 14 14 LYS H H 14 7.225 7.225 7.851 -0.626 19449 939 1 3 . 1 1 15 15 SER N N 15 111.938 111.938 113.075 -1.137 19449 940 1 3 . 1 1 15 15 SER HA H 15 4.206 4.206 4.307 -0.101 19449 941 1 3 . 1 1 15 15 SER C C 15 172.812 172.812 174.528 -1.716 19449 942 1 3 . 1 1 15 15 SER CA C 15 60.745 60.745 59.330 1.415 19449 943 1 3 . 1 1 15 15 SER CB C 15 64.381 64.381 64.442 -0.061 19449 944 1 3 . 1 1 15 15 SER H H 15 6.913 6.913 7.611 -0.698 19449 945 1 3 . 1 1 16 16 PHE N N 16 118.448 118.448 120.977 -2.529 19449 946 1 3 . 1 1 16 16 PHE HA H 16 4.856 4.856 4.954 -0.098 19449 947 1 3 . 1 1 16 16 PHE CA C 16 54.828 54.828 54.134 0.694 19449 948 1 3 . 1 1 16 16 PHE CB C 16 37.569 37.569 37.963 -0.394 19449 949 1 3 . 1 1 16 16 PHE H H 16 8.222 8.222 8.130 0.092 19449 950 1 3 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.309 0.264 19449 951 1 3 . 1 1 17 17 PRO C C 17 178.807 178.807 177.697 1.110 19449 952 1 3 . 1 1 17 17 PRO CA C 17 65.800 65.800 64.933 0.867 19449 953 1 3 . 1 1 17 17 PRO CB C 17 32.018 32.018 31.838 0.180 19449 954 1 3 . 1 1 18 18 SER N N 18 116.179 116.179 113.245 2.934 19449 955 1 3 . 1 1 18 18 SER HA H 18 4.716 4.716 4.244 0.472 19449 956 1 3 . 1 1 18 18 SER C C 18 174.085 174.085 174.727 -0.642 19449 957 1 3 . 1 1 18 18 SER CA C 18 57.161 57.161 58.995 -1.834 19449 958 1 3 . 1 1 18 18 SER CB C 18 63.144 63.144 62.907 0.237 19449 959 1 3 . 1 1 18 18 SER H H 18 9.427 9.427 8.394 1.033 19449 960 1 3 . 1 1 19 19 SER N N 19 116.639 116.639 116.981 -0.342 19449 961 1 3 . 1 1 19 19 SER HA H 19 4.750 4.750 4.499 0.251 19449 962 1 3 . 1 1 19 19 SER C C 19 175.392 175.392 174.572 0.820 19449 963 1 3 . 1 1 19 19 SER CA C 19 58.398 58.398 58.975 -0.577 19449 964 1 3 . 1 1 19 19 SER CB C 19 66.246 66.246 64.231 2.015 19449 965 1 3 . 1 1 19 19 SER H H 19 7.303 7.303 7.591 -0.288 19449 966 1 3 . 1 1 20 20 VAL N N 20 119.200 119.200 124.523 -5.323 19449 967 1 3 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.235 -0.084 19449 968 1 3 . 1 1 20 20 VAL C C 20 175.866 175.866 174.821 1.045 19449 969 1 3 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.859 0.774 19449 970 1 3 . 1 1 20 20 VAL CB C 20 33.213 33.213 30.816 2.397 19449 971 1 3 . 1 1 20 20 VAL H H 20 8.354 8.354 7.922 0.432 19449 972 1 3 . 1 1 21 21 ILE N N 21 128.342 128.342 129.148 -0.806 19449 973 1 3 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.558 0.127 19449 974 1 3 . 1 1 21 21 ILE C C 21 174.757 174.757 175.258 -0.501 19449 975 1 3 . 1 1 21 21 ILE CA C 21 60.521 60.521 60.855 -0.334 19449 976 1 3 . 1 1 21 21 ILE CB C 21 41.455 41.455 37.860 3.595 19449 977 1 3 . 1 1 21 21 ILE H H 21 8.668 8.668 8.132 0.536 19449 978 1 3 . 1 1 22 22 LYS N N 22 128.866 128.866 128.497 0.369 19449 979 1 3 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.707 -0.164 19449 980 1 3 . 1 1 22 22 LYS C C 22 174.900 174.900 174.450 0.450 19449 981 1 3 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.328 1.233 19449 982 1 3 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.929 -1.440 19449 983 1 3 . 1 1 22 22 LYS H H 22 9.004 9.004 7.973 1.031 19449 984 1 3 . 1 1 23 23 ILE N N 23 127.570 127.570 122.536 5.034 19449 985 1 3 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.975 -0.158 19449 986 1 3 . 1 1 23 23 ILE C C 23 175.206 175.206 176.059 -0.853 19449 987 1 3 . 1 1 23 23 ILE CA C 23 60.258 60.258 60.077 0.181 19449 988 1 3 . 1 1 23 23 ILE CB C 23 40.379 40.379 40.492 -0.113 19449 989 1 3 . 1 1 23 23 ILE H H 23 8.869 8.869 8.483 0.386 19449 990 1 3 . 1 1 24 24 THR N N 24 122.480 122.480 123.420 -0.940 19449 991 1 3 . 1 1 24 24 THR HA H 24 4.532 4.532 4.688 -0.156 19449 992 1 3 . 1 1 24 24 THR C C 24 173.003 173.003 173.002 0.001 19449 993 1 3 . 1 1 24 24 THR CA C 24 61.182 61.182 60.701 0.481 19449 994 1 3 . 1 1 24 24 THR CB C 24 71.402 71.402 71.460 -0.058 19449 995 1 3 . 1 1 24 24 THR H H 24 8.856 8.856 8.282 0.574 19449 996 1 3 . 1 1 25 25 ASP N N 25 126.508 126.508 124.730 1.778 19449 997 1 3 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.858 -0.161 19449 998 1 3 . 1 1 25 25 ASP C C 25 176.417 176.417 175.153 1.264 19449 999 1 3 . 1 1 25 25 ASP CA C 25 53.225 53.225 53.877 -0.652 19449 1000 1 3 . 1 1 25 25 ASP CB C 25 40.744 40.744 41.075 -0.331 19449 1001 1 3 . 1 1 25 25 ASP H H 25 8.984 8.984 8.583 0.401 19449 1002 1 3 . 1 1 26 26 LEU N N 26 125.128 125.128 125.366 -0.238 19449 1003 1 3 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.223 -0.133 19449 1004 1 3 . 1 1 26 26 LEU C C 26 177.615 177.615 177.488 0.127 19449 1005 1 3 . 1 1 26 26 LEU CA C 26 56.409 56.409 56.904 -0.494 19449 1006 1 3 . 1 1 26 26 LEU CB C 26 42.808 42.808 42.403 0.405 19449 1007 1 3 . 1 1 26 26 LEU H H 26 8.493 8.493 8.766 -0.273 19449 1008 1 3 . 1 1 27 27 VAL N N 27 116.931 116.931 115.118 1.813 19449 1009 1 3 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.116 -0.104 19449 1010 1 3 . 1 1 27 27 VAL C C 27 176.064 176.064 176.453 -0.389 19449 1011 1 3 . 1 1 27 27 VAL CA C 27 62.772 62.772 62.272 0.500 19449 1012 1 3 . 1 1 27 27 VAL CB C 27 34.397 34.397 32.798 1.599 19449 1013 1 3 . 1 1 27 27 VAL H H 27 8.111 8.111 7.534 0.577 19449 1014 1 3 . 1 1 28 28 GLY N N 28 111.338 111.338 109.984 1.354 19449 1015 1 3 . 1 1 28 28 GLY C C 28 174.054 174.054 174.155 -0.101 19449 1016 1 3 . 1 1 28 28 GLY CA C 28 45.634 45.634 45.744 -0.110 19449 1017 1 3 . 1 1 28 28 GLY H H 28 8.947 8.947 8.161 0.786 19449 1018 1 3 . 1 1 29 29 ASP N N 29 119.343 119.343 119.095 0.248 19449 1019 1 3 . 1 1 29 29 ASP C C 29 175.806 175.806 177.375 -1.569 19449 1020 1 3 . 1 1 29 29 ASP CA C 29 52.520 52.520 55.177 -2.657 19449 1021 1 3 . 1 1 29 29 ASP CB C 29 41.120 41.120 41.600 -0.480 19449 1022 1 3 . 1 1 29 29 ASP H H 29 7.802 7.802 8.652 -0.850 19449 1023 1 3 . 1 1 30 30 GLN N N 30 116.835 116.835 118.898 -2.063 19449 1024 1 3 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.492 -0.911 19449 1025 1 3 . 1 1 30 30 GLN C C 30 174.351 174.351 174.019 0.332 19449 1026 1 3 . 1 1 30 30 GLN CA C 30 57.299 57.299 55.460 1.839 19449 1027 1 3 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.019 -1.669 19449 1028 1 3 . 1 1 30 30 GLN H H 30 9.284 9.284 7.766 1.518 19449 1029 1 3 . 1 1 31 31 ASP N N 31 114.773 114.773 117.115 -2.342 19449 1030 1 3 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.212 0.545 19449 1031 1 3 . 1 1 31 31 ASP C C 31 174.994 174.994 174.321 0.673 19449 1032 1 3 . 1 1 31 31 ASP CA C 31 53.587 53.587 54.326 -0.739 19449 1033 1 3 . 1 1 31 31 ASP CB C 31 42.674 42.674 39.287 3.387 19449 1034 1 3 . 1 1 31 31 ASP H H 31 7.762 7.762 8.367 -0.605 19449 1035 1 3 . 1 1 32 32 HIS N N 32 116.715 116.715 118.215 -1.500 19449 1036 1 3 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.173 0.646 19449 1037 1 3 . 1 1 32 32 HIS CA C 32 55.006 55.006 56.543 -1.537 19449 1038 1 3 . 1 1 32 32 HIS CB C 32 30.246 30.246 30.137 0.110 19449 1039 1 3 . 1 1 32 32 HIS H H 32 7.364 7.364 7.776 -0.412 19449 1040 1 3 . 1 1 33 33 TYR N N 33 118.888 118.888 124.088 -5.200 19449 1041 1 3 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.727 0.554 19449 1042 1 3 . 1 1 33 33 TYR C C 33 175.344 175.344 174.197 1.147 19449 1043 1 3 . 1 1 33 33 TYR CA C 33 57.486 57.486 56.112 1.374 19449 1044 1 3 . 1 1 33 33 TYR CB C 33 42.046 42.046 40.654 1.392 19449 1045 1 3 . 1 1 33 33 TYR H H 33 7.979 7.979 8.392 -0.413 19449 1046 1 3 . 1 1 34 34 ALA N N 34 124.471 124.471 126.614 -2.143 19449 1047 1 3 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.670 0.309 19449 1048 1 3 . 1 1 34 34 ALA C C 34 175.399 175.399 175.802 -0.403 19449 1049 1 3 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.694 0.369 19449 1050 1 3 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.558 0.863 19449 1051 1 3 . 1 1 34 34 ALA H H 34 9.214 9.214 9.051 0.163 19449 1052 1 3 . 1 1 35 35 LEU N N 35 124.614 124.614 128.740 -4.126 19449 1053 1 3 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.848 0.111 19449 1054 1 3 . 1 1 35 35 LEU C C 35 174.694 174.694 175.300 -0.606 19449 1055 1 3 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.313 -1.030 19449 1056 1 3 . 1 1 35 35 LEU CB C 35 45.575 45.575 42.972 2.603 19449 1057 1 3 . 1 1 35 35 LEU H H 35 8.855 8.855 8.780 0.075 19449 1058 1 3 . 1 1 36 36 GLU N N 36 127.949 127.949 126.984 0.965 19449 1059 1 3 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.870 0.364 19449 1060 1 3 . 1 1 36 36 GLU C C 36 174.441 174.441 174.925 -0.484 19449 1061 1 3 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.155 0.642 19449 1062 1 3 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.387 0.221 19449 1063 1 3 . 1 1 36 36 GLU H H 36 9.085 9.085 8.778 0.307 19449 1064 1 3 . 1 1 37 37 ILE N N 37 123.414 123.414 124.744 -1.330 19449 1065 1 3 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.798 0.397 19449 1066 1 3 . 1 1 37 37 ILE C C 37 172.644 172.644 173.639 -0.995 19449 1067 1 3 . 1 1 37 37 ILE CA C 37 58.298 58.298 59.787 -1.489 19449 1068 1 3 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.417 0.234 19449 1069 1 3 . 1 1 37 37 ILE H H 37 8.709 8.709 7.853 0.856 19449 1070 1 3 . 1 1 38 38 SER N N 38 123.499 123.499 123.982 -0.483 19449 1071 1 3 . 1 1 38 38 SER HA H 38 5.989 5.989 5.422 0.567 19449 1072 1 3 . 1 1 38 38 SER C C 38 173.645 173.645 173.465 0.180 19449 1073 1 3 . 1 1 38 38 SER CA C 38 55.428 55.428 56.172 -0.744 19449 1074 1 3 . 1 1 38 38 SER CB C 38 64.017 64.017 64.048 -0.031 19449 1075 1 3 . 1 1 38 38 SER H H 38 8.843 8.843 8.703 0.140 19449 1076 1 3 . 1 1 39 39 ASP N N 39 122.449 122.449 126.946 -4.497 19449 1077 1 3 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.958 -0.520 19449 1078 1 3 . 1 1 39 39 ASP C C 39 175.131 175.131 174.086 1.045 19449 1079 1 3 . 1 1 39 39 ASP CA C 39 55.009 55.009 53.429 1.580 19449 1080 1 3 . 1 1 39 39 ASP CB C 39 46.600 46.600 43.058 3.542 19449 1081 1 3 . 1 1 39 39 ASP H H 39 8.211 8.211 8.016 0.195 19449 1082 1 3 . 1 1 40 40 ALA N N 40 129.616 129.616 119.562 10.054 19449 1083 1 3 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.503 -0.134 19449 1084 1 3 . 1 1 40 40 ALA C C 40 180.467 180.467 177.766 2.701 19449 1085 1 3 . 1 1 40 40 ALA CA C 40 53.868 53.868 52.206 1.663 19449 1086 1 3 . 1 1 40 40 ALA CB C 40 18.372 18.372 17.972 0.400 19449 1087 1 3 . 1 1 40 40 ALA H H 40 8.730 8.730 8.608 0.122 19449 1088 1 3 . 1 1 41 41 GLN N N 41 119.804 119.804 117.923 1.881 19449 1089 1 3 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.221 -0.251 19449 1090 1 3 . 1 1 41 41 GLN C C 41 176.767 176.767 176.364 0.403 19449 1091 1 3 . 1 1 41 41 GLN CA C 41 58.257 58.257 56.415 1.842 19449 1092 1 3 . 1 1 41 41 GLN CB C 41 29.807 29.807 29.915 -0.108 19449 1093 1 3 . 1 1 41 41 GLN H H 41 10.188 10.188 7.837 2.351 19449 1094 1 3 . 1 1 42 42 PHE N N 42 114.111 114.111 119.035 -4.924 19449 1095 1 3 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.563 -0.004 19449 1096 1 3 . 1 1 42 42 PHE C C 42 176.183 176.183 174.551 1.632 19449 1097 1 3 . 1 1 42 42 PHE CA C 42 55.829 55.829 57.066 -1.237 19449 1098 1 3 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.789 -1.177 19449 1099 1 3 . 1 1 42 42 PHE H H 42 7.010 7.010 7.820 -0.810 19449 1100 1 3 . 1 1 43 43 ASN N N 43 118.260 118.260 118.870 -0.610 19449 1101 1 3 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.752 -0.460 19449 1102 1 3 . 1 1 43 43 ASN C C 43 176.455 176.455 176.052 0.403 19449 1103 1 3 . 1 1 43 43 ASN CA C 43 55.282 55.282 53.640 1.642 19449 1104 1 3 . 1 1 43 43 ASN CB C 43 37.930 37.930 38.782 -0.852 19449 1105 1 3 . 1 1 43 43 ASN H H 43 7.528 7.528 7.893 -0.365 19449 1106 1 3 . 1 1 44 44 GLY N N 44 111.528 111.528 111.538 -0.010 19449 1107 1 3 . 1 1 44 44 GLY C C 44 173.888 173.888 174.097 -0.209 19449 1108 1 3 . 1 1 44 44 GLY CA C 44 45.606 45.606 45.158 0.448 19449 1109 1 3 . 1 1 44 44 GLY H H 44 8.697 8.697 8.695 0.002 19449 1110 1 3 . 1 1 45 45 LEU N N 45 120.387 120.387 119.645 0.742 19449 1111 1 3 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.762 -0.013 19449 1112 1 3 . 1 1 45 45 LEU C C 45 178.175 178.175 175.778 2.397 19449 1113 1 3 . 1 1 45 45 LEU CA C 45 53.328 53.328 53.529 -0.201 19449 1114 1 3 . 1 1 45 45 LEU CB C 45 44.992 44.992 44.329 0.663 19449 1115 1 3 . 1 1 45 45 LEU H H 45 7.565 7.565 7.793 -0.228 19449 1116 1 3 . 1 1 46 46 SER N N 46 118.894 118.894 114.397 4.497 19449 1117 1 3 . 1 1 46 46 SER HA H 46 4.313 4.313 4.730 -0.417 19449 1118 1 3 . 1 1 46 46 SER C C 46 174.896 174.896 175.656 -0.760 19449 1119 1 3 . 1 1 46 46 SER CA C 46 57.022 57.022 56.351 0.671 19449 1120 1 3 . 1 1 46 46 SER CB C 46 64.252 64.252 64.719 -0.467 19449 1121 1 3 . 1 1 46 46 SER H H 46 8.896 8.896 8.214 0.682 19449 1122 1 3 . 1 1 47 47 LEU N N 47 124.460 124.460 121.777 2.683 19449 1123 1 3 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.404 -0.781 19449 1124 1 3 . 1 1 47 47 LEU C C 47 179.220 179.220 178.692 0.528 19449 1125 1 3 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.865 1.266 19449 1126 1 3 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.456 0.233 19449 1127 1 3 . 1 1 47 47 LEU H H 47 8.720 8.720 8.845 -0.125 19449 1128 1 3 . 1 1 48 48 ILE N N 48 115.654 115.654 119.399 -3.745 19449 1129 1 3 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.953 -0.323 19449 1130 1 3 . 1 1 48 48 ILE C C 48 178.433 178.433 177.641 0.792 19449 1131 1 3 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.291 0.908 19449 1132 1 3 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.509 1.390 19449 1133 1 3 . 1 1 48 48 ILE H H 48 7.920 7.920 7.567 0.353 19449 1134 1 3 . 1 1 49 49 ASN N N 49 120.529 120.529 118.759 1.770 19449 1135 1 3 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.559 0.092 19449 1136 1 3 . 1 1 49 49 ASN C C 49 178.478 178.478 178.309 0.169 19449 1137 1 3 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.328 -0.632 19449 1138 1 3 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.632 0.262 19449 1139 1 3 . 1 1 49 49 ASN H H 49 7.449 7.449 8.515 -1.066 19449 1140 1 3 . 1 1 50 50 GLN N N 50 122.483 122.483 119.214 3.269 19449 1141 1 3 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.327 -0.468 19449 1142 1 3 . 1 1 50 50 GLN C C 50 177.657 177.657 178.240 -0.583 19449 1143 1 3 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.077 0.569 19449 1144 1 3 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.787 -0.866 19449 1145 1 3 . 1 1 50 50 GLN H H 50 8.664 8.664 8.321 0.343 19449 1146 1 3 . 1 1 51 51 HIS N N 51 116.297 116.297 119.157 -2.860 19449 1147 1 3 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.389 -0.518 19449 1148 1 3 . 1 1 51 51 HIS CA C 51 59.635 59.635 59.303 0.332 19449 1149 1 3 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.361 -0.250 19449 1150 1 3 . 1 1 51 51 HIS H H 51 8.206 8.206 7.698 0.508 19449 1151 1 3 . 1 1 52 52 LYS N N 52 120.443 120.443 119.807 0.636 19449 1152 1 3 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.278 -0.424 19449 1153 1 3 . 1 1 52 52 LYS C C 52 178.162 178.162 178.266 -0.104 19449 1154 1 3 . 1 1 52 52 LYS CA C 52 60.085 60.085 59.195 0.890 19449 1155 1 3 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.263 0.389 19449 1156 1 3 . 1 1 52 52 LYS H H 52 8.282 8.282 8.363 -0.081 19449 1157 1 3 . 1 1 53 53 LEU N N 53 117.663 117.663 120.841 -3.178 19449 1158 1 3 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.140 -0.019 19449 1159 1 3 . 1 1 53 53 LEU C C 53 180.570 180.570 178.908 1.662 19449 1160 1 3 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.073 0.115 19449 1161 1 3 . 1 1 53 53 LEU CB C 53 42.854 42.854 42.318 0.536 19449 1162 1 3 . 1 1 53 53 LEU H H 53 7.528 7.528 8.010 -0.482 19449 1163 1 3 . 1 1 54 54 VAL N N 54 118.963 118.963 115.207 3.756 19449 1164 1 3 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.798 -0.148 19449 1165 1 3 . 1 1 54 54 VAL C C 54 177.185 177.185 178.004 -0.819 19449 1166 1 3 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.125 0.553 19449 1167 1 3 . 1 1 54 54 VAL CB C 54 31.630 31.630 31.244 0.386 19449 1168 1 3 . 1 1 54 54 VAL H H 54 7.286 7.286 7.623 -0.337 19449 1169 1 3 . 1 1 55 55 LYS N N 55 119.061 119.061 118.142 0.919 19449 1170 1 3 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.207 -0.622 19449 1171 1 3 . 1 1 55 55 LYS C C 55 179.976 179.976 178.874 1.102 19449 1172 1 3 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.215 2.651 19449 1173 1 3 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.100 -0.357 19449 1174 1 3 . 1 1 55 55 LYS H H 55 8.539 8.539 7.524 1.015 19449 1175 1 3 . 1 1 56 56 ASN N N 56 117.807 117.807 118.335 -0.528 19449 1176 1 3 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.588 -0.240 19449 1177 1 3 . 1 1 56 56 ASN C C 56 178.363 178.363 177.569 0.794 19449 1178 1 3 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.539 0.385 19449 1179 1 3 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.451 -0.808 19449 1180 1 3 . 1 1 56 56 ASN H H 56 8.640 8.640 7.965 0.675 19449 1181 1 3 . 1 1 57 57 ALA N N 57 122.142 122.142 121.839 0.303 19449 1182 1 3 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.071 0.082 19449 1183 1 3 . 1 1 57 57 ALA C C 57 178.976 178.976 177.533 1.443 19449 1184 1 3 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.336 0.168 19449 1185 1 3 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.843 0.160 19449 1186 1 3 . 1 1 57 57 ALA H H 57 7.436 7.436 8.169 -0.733 19449 1187 1 3 . 1 1 58 58 LEU N N 58 115.109 115.109 110.020 5.089 19449 1188 1 3 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.732 -0.388 19449 1189 1 3 . 1 1 58 58 LEU C C 58 177.792 177.792 176.697 1.095 19449 1190 1 3 . 1 1 58 58 LEU CA C 58 53.791 53.791 54.365 -0.574 19449 1191 1 3 . 1 1 58 58 LEU CB C 58 42.566 42.566 41.726 0.840 19449 1192 1 3 . 1 1 58 58 LEU H H 58 7.458 7.458 7.109 0.349 19449 1193 1 3 . 1 1 59 59 SER N N 59 117.442 117.442 117.521 -0.079 19449 1194 1 3 . 1 1 59 59 SER HA H 59 3.967 3.967 4.390 -0.423 19449 1195 1 3 . 1 1 59 59 SER C C 59 175.721 175.721 176.025 -0.304 19449 1196 1 3 . 1 1 59 59 SER CA C 59 62.464 62.464 61.727 0.737 19449 1197 1 3 . 1 1 59 59 SER CB C 59 63.058 63.058 63.849 -0.791 19449 1198 1 3 . 1 1 59 59 SER H H 59 7.559 7.559 8.145 -0.586 19449 1199 1 3 . 1 1 60 60 GLU N N 60 118.774 118.774 121.107 -2.333 19449 1200 1 3 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.134 0.015 19449 1201 1 3 . 1 1 60 60 GLU C C 60 177.223 177.223 178.014 -0.791 19449 1202 1 3 . 1 1 60 60 GLU CA C 60 58.231 58.231 58.679 -0.448 19449 1203 1 3 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.314 0.497 19449 1204 1 3 . 1 1 60 60 GLU H H 60 8.491 8.491 8.138 0.353 19449 1205 1 3 . 1 1 61 61 ILE N N 61 112.097 112.097 119.174 -7.077 19449 1206 1 3 . 1 1 61 61 ILE HA H 61 4.260 4.260 3.951 0.309 19449 1207 1 3 . 1 1 61 61 ILE C C 61 177.352 177.352 176.099 1.253 19449 1208 1 3 . 1 1 61 61 ILE CA C 61 61.434 61.434 62.263 -0.829 19449 1209 1 3 . 1 1 61 61 ILE CB C 61 39.900 39.900 38.470 1.430 19449 1210 1 3 . 1 1 61 61 ILE H H 61 7.582 7.582 7.866 -0.284 19449 1211 1 3 . 1 1 62 62 LEU N N 62 124.848 124.848 117.390 7.458 19449 1212 1 3 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.136 0.057 19449 1213 1 3 . 1 1 62 62 LEU C C 62 177.476 177.476 176.589 0.887 19449 1214 1 3 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.215 1.394 19449 1215 1 3 . 1 1 62 62 LEU CB C 62 41.516 41.516 40.073 1.443 19449 1216 1 3 . 1 1 62 62 LEU H H 62 8.113 8.113 8.058 0.055 19449 1217 1 3 . 1 1 63 63 ASN N N 63 117.202 117.202 116.351 0.851 19449 1218 1 3 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.387 -0.136 19449 1219 1 3 . 1 1 63 63 ASN C C 63 174.911 174.911 175.612 -0.701 19449 1220 1 3 . 1 1 63 63 ASN CA C 63 55.685 55.685 55.391 0.294 19449 1221 1 3 . 1 1 63 63 ASN CB C 63 37.948 37.948 38.638 -0.689 19449 1222 1 3 . 1 1 63 63 ASN H H 63 8.507 8.507 8.499 0.008 19449 1223 1 3 . 1 1 64 64 LYS N N 64 118.109 118.109 119.732 -1.623 19449 1224 1 3 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.259 0.006 19449 1225 1 3 . 1 1 64 64 LYS C C 64 175.964 175.964 174.713 1.251 19449 1226 1 3 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.468 2.124 19449 1227 1 3 . 1 1 64 64 LYS CB C 64 33.841 33.841 33.320 0.521 19449 1228 1 3 . 1 1 64 64 LYS H H 64 7.691 7.691 8.043 -0.352 19449 1229 1 3 . 1 1 65 65 LYS N N 65 116.060 116.060 121.885 -5.825 19449 1230 1 3 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.642 -0.313 19449 1231 1 3 . 1 1 65 65 LYS C C 65 174.912 174.912 175.162 -0.250 19449 1232 1 3 . 1 1 65 65 LYS CA C 65 56.422 56.422 55.757 0.665 19449 1233 1 3 . 1 1 65 65 LYS CB C 65 34.292 34.292 33.836 0.456 19449 1234 1 3 . 1 1 65 65 LYS H H 65 7.805 7.805 8.400 -0.595 19449 1235 1 3 . 1 1 66 66 LEU N N 66 118.796 118.796 121.530 -2.734 19449 1236 1 3 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.124 0.359 19449 1237 1 3 . 1 1 66 66 LEU CA C 66 54.089 54.089 55.750 -1.661 19449 1238 1 3 . 1 1 66 66 LEU CB C 66 43.732 43.732 40.224 3.508 19449 1239 1 3 . 1 1 66 66 LEU H H 66 7.386 7.386 8.664 -1.278 19449 1240 1 3 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.889 -0.358 19449 1241 1 3 . 1 1 67 67 HIS CA C 67 57.560 57.560 54.606 2.954 19449 1242 1 3 . 1 1 67 67 HIS CB C 67 29.560 29.560 30.535 -0.975 19449 1243 1 3 . 1 1 68 68 SER N N 68 113.247 113.247 120.420 -7.173 19449 1244 1 3 . 1 1 68 68 SER HA H 68 4.521 4.521 4.726 -0.205 19449 1245 1 3 . 1 1 68 68 SER C C 68 172.449 172.449 174.015 -1.566 19449 1246 1 3 . 1 1 68 68 SER CA C 68 57.887 57.887 57.516 0.371 19449 1247 1 3 . 1 1 68 68 SER CB C 68 63.781 63.781 63.670 0.111 19449 1248 1 3 . 1 1 68 68 SER H H 68 7.505 7.505 8.507 -1.002 19449 1249 1 3 . 1 1 69 69 ILE N N 69 122.511 122.511 119.813 2.698 19449 1250 1 3 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.643 0.317 19449 1251 1 3 . 1 1 69 69 ILE C C 69 173.796 173.796 174.592 -0.796 19449 1252 1 3 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.585 -0.331 19449 1253 1 3 . 1 1 69 69 ILE CB C 69 41.297 41.297 40.762 0.535 19449 1254 1 3 . 1 1 69 69 ILE H H 69 8.172 8.172 8.171 0.001 19449 1255 1 3 . 1 1 70 70 SER N N 70 122.242 122.242 116.335 5.907 19449 1256 1 3 . 1 1 70 70 SER HA H 70 4.683 4.683 4.771 -0.088 19449 1257 1 3 . 1 1 70 70 SER C C 70 173.443 173.443 173.915 -0.472 19449 1258 1 3 . 1 1 70 70 SER CA C 70 56.687 56.687 57.832 -1.145 19449 1259 1 3 . 1 1 70 70 SER CB C 70 64.027 64.027 64.472 -0.445 19449 1260 1 3 . 1 1 70 70 SER H H 70 8.428 8.428 8.389 0.039 19449 1261 1 3 . 1 1 71 71 ILE N N 71 125.615 125.615 125.723 -0.108 19449 1262 1 3 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.612 -0.443 19449 1263 1 3 . 1 1 71 71 ILE C C 71 173.769 173.769 174.718 -0.949 19449 1264 1 3 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.126 1.465 19449 1265 1 3 . 1 1 71 71 ILE CB C 71 40.978 40.978 39.561 1.417 19449 1266 1 3 . 1 1 71 71 ILE H H 71 8.615 8.615 8.625 -0.010 19449 1267 1 3 . 1 1 72 72 LYS N N 72 129.141 129.141 128.676 0.465 19449 1268 1 3 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.492 0.136 19449 1269 1 3 . 1 1 72 72 LYS C C 72 174.425 174.425 175.616 -1.191 19449 1270 1 3 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.679 -0.401 19449 1271 1 3 . 1 1 72 72 LYS CB C 72 35.146 35.146 34.648 0.498 19449 1272 1 3 . 1 1 72 72 LYS H H 72 8.419 8.419 8.697 -0.278 19449 1273 1 3 . 1 1 73 73 THR N N 73 116.054 116.054 116.699 -0.645 19449 1274 1 3 . 1 1 73 73 THR HA H 73 4.695 4.695 4.273 0.422 19449 1275 1 3 . 1 1 73 73 THR C C 73 174.550 174.550 174.244 0.306 19449 1276 1 3 . 1 1 73 73 THR CA C 73 58.793 58.793 61.701 -2.908 19449 1277 1 3 . 1 1 73 73 THR CB C 73 68.752 68.752 69.161 -0.409 19449 1278 1 3 . 1 1 73 73 THR H H 73 8.258 8.258 8.311 -0.053 19449 1279 1 3 . 1 1 74 74 ILE N N 74 124.787 124.787 128.497 -3.710 19449 1280 1 3 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.474 -0.243 19449 1281 1 3 . 1 1 74 74 ILE C C 74 175.033 175.033 174.401 0.632 19449 1282 1 3 . 1 1 74 74 ILE CA C 74 60.813 60.813 60.666 0.146 19449 1283 1 3 . 1 1 74 74 ILE CB C 74 40.771 40.771 41.438 -0.667 19449 1284 1 3 . 1 1 74 74 ILE H H 74 8.655 8.655 8.030 0.625 19449 1285 1 3 . 1 1 75 75 SER N N 75 121.778 121.778 120.774 1.004 19449 1286 1 3 . 1 1 75 75 SER HA H 75 4.574 4.574 5.402 -0.828 19449 1287 1 3 . 1 1 75 75 SER C C 75 173.153 173.153 173.921 -0.768 19449 1288 1 3 . 1 1 75 75 SER CA C 75 58.586 58.586 56.626 1.960 19449 1289 1 3 . 1 1 75 75 SER CB C 75 64.245 64.245 65.796 -1.551 19449 1290 1 3 . 1 1 75 75 SER H H 75 8.306 8.306 8.520 -0.214 19449 1291 1 4 . 1 1 2 2 ALA N N 2 124.143 124.143 126.965 -2.822 19449 1292 1 4 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.755 -0.321 19449 1293 1 4 . 1 1 2 2 ALA C C 2 177.129 177.129 176.706 0.423 19449 1294 1 4 . 1 1 2 2 ALA CA C 2 52.125 52.125 51.587 0.537 19449 1295 1 4 . 1 1 2 2 ALA CB C 2 20.239 20.239 19.745 0.494 19449 1296 1 4 . 1 1 2 2 ALA H H 2 7.998 7.998 8.309 -0.311 19449 1297 1 4 . 1 1 3 3 ILE N N 3 120.462 120.462 121.714 -1.252 19449 1298 1 4 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.314 0.030 19449 1299 1 4 . 1 1 3 3 ILE C C 3 173.994 173.994 175.269 -1.275 19449 1300 1 4 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.532 -0.974 19449 1301 1 4 . 1 1 3 3 ILE CB C 3 39.826 39.826 41.188 -1.362 19449 1302 1 4 . 1 1 3 3 ILE H H 3 8.659 8.659 8.351 0.308 19449 1303 1 4 . 1 1 4 4 SER N N 4 122.216 122.216 121.321 0.895 19449 1304 1 4 . 1 1 4 4 SER HA H 4 4.532 4.532 4.344 0.188 19449 1305 1 4 . 1 1 4 4 SER C C 4 174.562 174.562 175.601 -1.039 19449 1306 1 4 . 1 1 4 4 SER CA C 4 57.162 57.162 58.897 -1.734 19449 1307 1 4 . 1 1 4 4 SER CB C 4 65.966 65.966 64.097 1.869 19449 1308 1 4 . 1 1 4 4 SER H H 4 8.376 8.376 8.514 -0.138 19449 1309 1 4 . 1 1 5 5 ALA N N 5 124.531 124.531 128.054 -3.523 19449 1310 1 4 . 1 1 5 5 ALA HA H 5 3.525 3.525 4.006 -0.481 19449 1311 1 4 . 1 1 5 5 ALA C C 5 179.834 179.834 178.759 1.075 19449 1312 1 4 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.627 0.889 19449 1313 1 4 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.777 -0.727 19449 1314 1 4 . 1 1 5 5 ALA H H 5 8.986 8.986 8.707 0.279 19449 1315 1 4 . 1 1 6 6 GLU N N 6 117.333 117.333 116.231 1.102 19449 1316 1 4 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.207 -0.285 19449 1317 1 4 . 1 1 6 6 GLU C C 6 179.125 179.125 178.577 0.548 19449 1318 1 4 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.621 1.123 19449 1319 1 4 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.897 0.373 19449 1320 1 4 . 1 1 6 6 GLU H H 6 8.526 8.526 8.704 -0.178 19449 1321 1 4 . 1 1 7 7 GLU N N 7 120.933 120.933 118.603 2.330 19449 1322 1 4 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.209 -0.335 19449 1323 1 4 . 1 1 7 7 GLU C C 7 178.705 178.705 178.204 0.501 19449 1324 1 4 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.583 1.433 19449 1325 1 4 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.699 -0.090 19449 1326 1 4 . 1 1 7 7 GLU H H 7 7.696 7.696 7.845 -0.149 19449 1327 1 4 . 1 1 8 8 LEU N N 8 120.345 120.345 120.655 -0.310 19449 1328 1 4 . 1 1 8 8 LEU HA H 8 3.728 3.728 4.119 -0.391 19449 1329 1 4 . 1 1 8 8 LEU C C 8 177.984 177.984 178.563 -0.579 19449 1330 1 4 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.612 0.326 19449 1331 1 4 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.832 -0.089 19449 1332 1 4 . 1 1 8 8 LEU H H 8 8.092 8.092 7.204 0.888 19449 1333 1 4 . 1 1 9 9 GLU N N 9 118.656 118.656 118.505 0.151 19449 1334 1 4 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.885 -0.357 19449 1335 1 4 . 1 1 9 9 GLU C C 9 177.280 177.280 178.252 -0.972 19449 1336 1 4 . 1 1 9 9 GLU CA C 9 60.629 60.629 59.256 1.373 19449 1337 1 4 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.804 0.339 19449 1338 1 4 . 1 1 9 9 GLU H H 9 8.104 8.104 7.882 0.222 19449 1339 1 4 . 1 1 10 10 LYS N N 10 117.661 117.661 118.540 -0.879 19449 1340 1 4 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.043 -0.270 19449 1341 1 4 . 1 1 10 10 LYS C C 10 179.895 179.895 179.061 0.834 19449 1342 1 4 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.730 1.191 19449 1343 1 4 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.854 0.533 19449 1344 1 4 . 1 1 10 10 LYS H H 10 7.565 7.565 7.620 -0.055 19449 1345 1 4 . 1 1 11 11 ILE N N 11 119.359 119.359 119.491 -0.132 19449 1346 1 4 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.778 -0.162 19449 1347 1 4 . 1 1 11 11 ILE C C 11 179.908 179.908 177.508 2.400 19449 1348 1 4 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.397 0.583 19449 1349 1 4 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.124 0.291 19449 1350 1 4 . 1 1 11 11 ILE H H 11 7.894 7.894 7.497 0.397 19449 1351 1 4 . 1 1 12 12 LEU N N 12 121.478 121.478 118.550 2.928 19449 1352 1 4 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.905 0.068 19449 1353 1 4 . 1 1 12 12 LEU C C 12 179.346 179.346 178.999 0.347 19449 1354 1 4 . 1 1 12 12 LEU CA C 12 58.306 58.306 57.054 1.252 19449 1355 1 4 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.168 1.685 19449 1356 1 4 . 1 1 12 12 LEU H H 12 8.180 8.180 7.553 0.627 19449 1357 1 4 . 1 1 13 13 LYS N N 13 119.072 119.072 119.379 -0.307 19449 1358 1 4 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.318 -0.527 19449 1359 1 4 . 1 1 13 13 LYS C C 13 177.763 177.763 177.746 0.017 19449 1360 1 4 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.017 -0.122 19449 1361 1 4 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.608 -0.528 19449 1362 1 4 . 1 1 13 13 LYS H H 13 8.648 8.648 7.946 0.702 19449 1363 1 4 . 1 1 14 14 LYS N N 14 116.972 116.972 117.488 -0.516 19449 1364 1 4 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.110 -0.147 19449 1365 1 4 . 1 1 14 14 LYS C C 14 178.525 178.525 177.652 0.873 19449 1366 1 4 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.137 1.043 19449 1367 1 4 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.346 -0.244 19449 1368 1 4 . 1 1 14 14 LYS H H 14 7.225 7.225 7.617 -0.392 19449 1369 1 4 . 1 1 15 15 SER N N 15 111.938 111.938 112.568 -0.630 19449 1370 1 4 . 1 1 15 15 SER HA H 15 4.206 4.206 4.331 -0.125 19449 1371 1 4 . 1 1 15 15 SER C C 15 172.812 172.812 174.370 -1.558 19449 1372 1 4 . 1 1 15 15 SER CA C 15 60.745 60.745 59.205 1.540 19449 1373 1 4 . 1 1 15 15 SER CB C 15 64.381 64.381 64.244 0.137 19449 1374 1 4 . 1 1 15 15 SER H H 15 6.913 6.913 7.455 -0.542 19449 1375 1 4 . 1 1 16 16 PHE N N 16 118.448 118.448 120.580 -2.132 19449 1376 1 4 . 1 1 16 16 PHE HA H 16 4.856 4.856 4.975 -0.119 19449 1377 1 4 . 1 1 16 16 PHE CA C 16 54.828 54.828 53.977 0.851 19449 1378 1 4 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.002 -0.433 19449 1379 1 4 . 1 1 16 16 PHE H H 16 8.222 8.222 7.521 0.701 19449 1380 1 4 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.363 0.210 19449 1381 1 4 . 1 1 17 17 PRO C C 17 178.807 178.807 177.774 1.033 19449 1382 1 4 . 1 1 17 17 PRO CA C 17 65.800 65.800 64.955 0.845 19449 1383 1 4 . 1 1 17 17 PRO CB C 17 32.018 32.018 32.193 -0.175 19449 1384 1 4 . 1 1 18 18 SER N N 18 116.179 116.179 112.069 4.110 19449 1385 1 4 . 1 1 18 18 SER HA H 18 4.716 4.716 4.534 0.182 19449 1386 1 4 . 1 1 18 18 SER C C 18 174.085 174.085 173.630 0.455 19449 1387 1 4 . 1 1 18 18 SER CA C 18 57.161 57.161 56.840 0.321 19449 1388 1 4 . 1 1 18 18 SER CB C 18 63.144 63.144 62.819 0.325 19449 1389 1 4 . 1 1 18 18 SER H H 18 9.427 9.427 8.491 0.936 19449 1390 1 4 . 1 1 19 19 SER N N 19 116.639 116.639 115.871 0.768 19449 1391 1 4 . 1 1 19 19 SER HA H 19 4.750 4.750 5.125 -0.375 19449 1392 1 4 . 1 1 19 19 SER C C 19 175.392 175.392 174.264 1.128 19449 1393 1 4 . 1 1 19 19 SER CA C 19 58.398 58.398 56.049 2.349 19449 1394 1 4 . 1 1 19 19 SER CB C 19 66.246 66.246 65.338 0.908 19449 1395 1 4 . 1 1 19 19 SER H H 19 7.303 7.303 7.496 -0.193 19449 1396 1 4 . 1 1 20 20 VAL N N 20 119.200 119.200 126.110 -6.910 19449 1397 1 4 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.099 0.052 19449 1398 1 4 . 1 1 20 20 VAL C C 20 175.866 175.866 175.159 0.707 19449 1399 1 4 . 1 1 20 20 VAL CA C 20 62.633 62.633 62.483 0.150 19449 1400 1 4 . 1 1 20 20 VAL CB C 20 33.213 33.213 31.559 1.654 19449 1401 1 4 . 1 1 20 20 VAL H H 20 8.354 8.354 8.375 -0.021 19449 1402 1 4 . 1 1 21 21 ILE N N 21 128.342 128.342 129.744 -1.402 19449 1403 1 4 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.755 -0.070 19449 1404 1 4 . 1 1 21 21 ILE C C 21 174.757 174.757 175.340 -0.583 19449 1405 1 4 . 1 1 21 21 ILE CA C 21 60.521 60.521 60.842 -0.321 19449 1406 1 4 . 1 1 21 21 ILE CB C 21 41.455 41.455 39.353 2.102 19449 1407 1 4 . 1 1 21 21 ILE H H 21 8.668 8.668 8.288 0.380 19449 1408 1 4 . 1 1 22 22 LYS N N 22 128.866 128.866 127.872 0.994 19449 1409 1 4 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.667 -0.124 19449 1410 1 4 . 1 1 22 22 LYS C C 22 174.900 174.900 174.491 0.409 19449 1411 1 4 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.895 0.666 19449 1412 1 4 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.377 -0.887 19449 1413 1 4 . 1 1 22 22 LYS H H 22 9.004 9.004 8.481 0.523 19449 1414 1 4 . 1 1 23 23 ILE N N 23 127.570 127.570 124.405 3.165 19449 1415 1 4 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.781 0.036 19449 1416 1 4 . 1 1 23 23 ILE C C 23 175.206 175.206 176.138 -0.932 19449 1417 1 4 . 1 1 23 23 ILE CA C 23 60.258 60.258 60.266 -0.008 19449 1418 1 4 . 1 1 23 23 ILE CB C 23 40.379 40.379 39.978 0.401 19449 1419 1 4 . 1 1 23 23 ILE H H 23 8.869 8.869 8.450 0.419 19449 1420 1 4 . 1 1 24 24 THR N N 24 122.480 122.480 122.812 -0.332 19449 1421 1 4 . 1 1 24 24 THR HA H 24 4.532 4.532 4.634 -0.102 19449 1422 1 4 . 1 1 24 24 THR C C 24 173.003 173.003 173.034 -0.031 19449 1423 1 4 . 1 1 24 24 THR CA C 24 61.182 61.182 61.326 -0.144 19449 1424 1 4 . 1 1 24 24 THR CB C 24 71.402 71.402 71.269 0.133 19449 1425 1 4 . 1 1 24 24 THR H H 24 8.856 8.856 8.317 0.539 19449 1426 1 4 . 1 1 25 25 ASP N N 25 126.508 126.508 125.997 0.511 19449 1427 1 4 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.861 -0.164 19449 1428 1 4 . 1 1 25 25 ASP C C 25 176.417 176.417 175.783 0.634 19449 1429 1 4 . 1 1 25 25 ASP CA C 25 53.225 53.225 54.317 -1.092 19449 1430 1 4 . 1 1 25 25 ASP CB C 25 40.744 40.744 41.581 -0.837 19449 1431 1 4 . 1 1 25 25 ASP H H 25 8.984 8.984 8.592 0.392 19449 1432 1 4 . 1 1 26 26 LEU N N 26 125.128 125.128 123.719 1.409 19449 1433 1 4 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.524 -0.434 19449 1434 1 4 . 1 1 26 26 LEU C C 26 177.615 177.615 176.907 0.708 19449 1435 1 4 . 1 1 26 26 LEU CA C 26 56.409 56.409 55.517 0.892 19449 1436 1 4 . 1 1 26 26 LEU CB C 26 42.808 42.808 43.249 -0.441 19449 1437 1 4 . 1 1 26 26 LEU H H 26 8.493 8.493 8.923 -0.430 19449 1438 1 4 . 1 1 27 27 VAL N N 27 116.931 116.931 115.601 1.330 19449 1439 1 4 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.416 -0.404 19449 1440 1 4 . 1 1 27 27 VAL C C 27 176.064 176.064 175.400 0.664 19449 1441 1 4 . 1 1 27 27 VAL CA C 27 62.772 62.772 61.118 1.654 19449 1442 1 4 . 1 1 27 27 VAL CB C 27 34.397 34.397 33.636 0.761 19449 1443 1 4 . 1 1 27 27 VAL H H 27 8.111 8.111 7.718 0.393 19449 1444 1 4 . 1 1 28 28 GLY N N 28 111.338 111.338 108.927 2.411 19449 1445 1 4 . 1 1 28 28 GLY C C 28 174.054 174.054 173.703 0.351 19449 1446 1 4 . 1 1 28 28 GLY CA C 28 45.634 45.634 45.218 0.416 19449 1447 1 4 . 1 1 28 28 GLY H H 28 8.947 8.947 8.617 0.330 19449 1448 1 4 . 1 1 29 29 ASP N N 29 119.343 119.343 117.685 1.658 19449 1449 1 4 . 1 1 29 29 ASP C C 29 175.806 175.806 176.797 -0.991 19449 1450 1 4 . 1 1 29 29 ASP CA C 29 52.520 52.520 53.940 -1.420 19449 1451 1 4 . 1 1 29 29 ASP CB C 29 41.120 41.120 41.044 0.076 19449 1452 1 4 . 1 1 29 29 ASP H H 29 7.802 7.802 8.014 -0.212 19449 1453 1 4 . 1 1 30 30 GLN N N 30 116.835 116.835 120.545 -3.710 19449 1454 1 4 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.473 -0.891 19449 1455 1 4 . 1 1 30 30 GLN C C 30 174.351 174.351 175.903 -1.552 19449 1456 1 4 . 1 1 30 30 GLN CA C 30 57.299 57.299 55.137 2.162 19449 1457 1 4 . 1 1 30 30 GLN CB C 30 27.350 27.350 30.472 -3.122 19449 1458 1 4 . 1 1 30 30 GLN H H 30 9.284 9.284 7.896 1.388 19449 1459 1 4 . 1 1 31 31 ASP N N 31 114.773 114.773 123.906 -9.133 19449 1460 1 4 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.450 0.307 19449 1461 1 4 . 1 1 31 31 ASP C C 31 174.994 174.994 174.470 0.524 19449 1462 1 4 . 1 1 31 31 ASP CA C 31 53.587 53.587 53.701 -0.114 19449 1463 1 4 . 1 1 31 31 ASP CB C 31 42.674 42.674 38.785 3.889 19449 1464 1 4 . 1 1 31 31 ASP H H 31 7.762 7.762 8.580 -0.818 19449 1465 1 4 . 1 1 32 32 HIS N N 32 116.715 116.715 120.591 -3.876 19449 1466 1 4 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.492 0.327 19449 1467 1 4 . 1 1 32 32 HIS CA C 32 55.006 55.006 55.295 -0.289 19449 1468 1 4 . 1 1 32 32 HIS CB C 32 30.246 30.246 31.195 -0.949 19449 1469 1 4 . 1 1 32 32 HIS H H 32 7.364 7.364 7.922 -0.558 19449 1470 1 4 . 1 1 33 33 TYR N N 33 118.888 118.888 126.119 -7.231 19449 1471 1 4 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.705 0.576 19449 1472 1 4 . 1 1 33 33 TYR C C 33 175.344 175.344 174.319 1.025 19449 1473 1 4 . 1 1 33 33 TYR CA C 33 57.486 57.486 55.455 2.031 19449 1474 1 4 . 1 1 33 33 TYR CB C 33 42.046 42.046 39.026 3.020 19449 1475 1 4 . 1 1 33 33 TYR H H 33 7.979 7.979 8.241 -0.262 19449 1476 1 4 . 1 1 34 34 ALA N N 34 124.471 124.471 127.441 -2.970 19449 1477 1 4 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.770 0.209 19449 1478 1 4 . 1 1 34 34 ALA C C 34 175.399 175.399 175.513 -0.114 19449 1479 1 4 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.998 0.065 19449 1480 1 4 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.298 1.123 19449 1481 1 4 . 1 1 34 34 ALA H H 34 9.214 9.214 8.667 0.547 19449 1482 1 4 . 1 1 35 35 LEU N N 35 124.614 124.614 126.980 -2.366 19449 1483 1 4 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.674 0.285 19449 1484 1 4 . 1 1 35 35 LEU C C 35 174.694 174.694 175.049 -0.355 19449 1485 1 4 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.497 -1.214 19449 1486 1 4 . 1 1 35 35 LEU CB C 35 45.575 45.575 44.224 1.351 19449 1487 1 4 . 1 1 35 35 LEU H H 35 8.855 8.855 9.121 -0.266 19449 1488 1 4 . 1 1 36 36 GLU N N 36 127.949 127.949 127.530 0.419 19449 1489 1 4 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.695 0.539 19449 1490 1 4 . 1 1 36 36 GLU C C 36 174.441 174.441 174.871 -0.430 19449 1491 1 4 . 1 1 36 36 GLU CA C 36 54.797 54.797 55.417 -0.620 19449 1492 1 4 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.333 0.275 19449 1493 1 4 . 1 1 36 36 GLU H H 36 9.085 9.085 8.493 0.592 19449 1494 1 4 . 1 1 37 37 ILE N N 37 123.414 123.414 126.580 -3.166 19449 1495 1 4 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.926 0.269 19449 1496 1 4 . 1 1 37 37 ILE C C 37 172.644 172.644 173.431 -0.787 19449 1497 1 4 . 1 1 37 37 ILE CA C 37 58.298 58.298 59.125 -0.827 19449 1498 1 4 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.315 0.336 19449 1499 1 4 . 1 1 37 37 ILE H H 37 8.709 8.709 8.165 0.544 19449 1500 1 4 . 1 1 38 38 SER N N 38 123.499 123.499 124.397 -0.898 19449 1501 1 4 . 1 1 38 38 SER HA H 38 5.989 5.989 5.058 0.931 19449 1502 1 4 . 1 1 38 38 SER C C 38 173.645 173.645 173.458 0.187 19449 1503 1 4 . 1 1 38 38 SER CA C 38 55.428 55.428 56.399 -0.971 19449 1504 1 4 . 1 1 38 38 SER CB C 38 64.017 64.017 63.641 0.376 19449 1505 1 4 . 1 1 38 38 SER H H 38 8.843 8.843 8.304 0.539 19449 1506 1 4 . 1 1 39 39 ASP N N 39 122.449 122.449 127.051 -4.602 19449 1507 1 4 . 1 1 39 39 ASP HA H 39 4.438 4.438 5.031 -0.593 19449 1508 1 4 . 1 1 39 39 ASP C C 39 175.131 175.131 174.592 0.539 19449 1509 1 4 . 1 1 39 39 ASP CA C 39 55.009 55.009 52.706 2.303 19449 1510 1 4 . 1 1 39 39 ASP CB C 39 46.600 46.600 43.289 3.311 19449 1511 1 4 . 1 1 39 39 ASP H H 39 8.211 8.211 7.841 0.370 19449 1512 1 4 . 1 1 40 40 ALA N N 40 129.616 129.616 119.256 10.360 19449 1513 1 4 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.824 -0.455 19449 1514 1 4 . 1 1 40 40 ALA C C 40 180.467 180.467 177.209 3.258 19449 1515 1 4 . 1 1 40 40 ALA CA C 40 53.868 53.868 52.853 1.015 19449 1516 1 4 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.477 -0.105 19449 1517 1 4 . 1 1 40 40 ALA H H 40 8.730 8.730 8.536 0.194 19449 1518 1 4 . 1 1 41 41 GLN N N 41 119.804 119.804 117.242 2.562 19449 1519 1 4 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.239 -0.269 19449 1520 1 4 . 1 1 41 41 GLN C C 41 176.767 176.767 176.401 0.366 19449 1521 1 4 . 1 1 41 41 GLN CA C 41 58.257 58.257 55.439 2.818 19449 1522 1 4 . 1 1 41 41 GLN CB C 41 29.807 29.807 29.639 0.168 19449 1523 1 4 . 1 1 41 41 GLN H H 41 10.188 10.188 8.020 2.168 19449 1524 1 4 . 1 1 42 42 PHE N N 42 114.111 114.111 118.215 -4.104 19449 1525 1 4 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.271 0.288 19449 1526 1 4 . 1 1 42 42 PHE C C 42 176.183 176.183 175.036 1.147 19449 1527 1 4 . 1 1 42 42 PHE CA C 42 55.829 55.829 56.848 -1.019 19449 1528 1 4 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.092 -0.480 19449 1529 1 4 . 1 1 42 42 PHE H H 42 7.010 7.010 8.217 -1.208 19449 1530 1 4 . 1 1 43 43 ASN N N 43 118.260 118.260 119.593 -1.333 19449 1531 1 4 . 1 1 43 43 ASN HA H 43 4.292 4.292 3.791 0.501 19449 1532 1 4 . 1 1 43 43 ASN C C 43 176.455 176.455 176.022 0.433 19449 1533 1 4 . 1 1 43 43 ASN CA C 43 55.282 55.282 54.473 0.809 19449 1534 1 4 . 1 1 43 43 ASN CB C 43 37.930 37.930 38.173 -0.243 19449 1535 1 4 . 1 1 43 43 ASN H H 43 7.528 7.528 7.882 -0.354 19449 1536 1 4 . 1 1 44 44 GLY N N 44 111.528 111.528 109.937 1.591 19449 1537 1 4 . 1 1 44 44 GLY C C 44 173.888 173.888 173.304 0.584 19449 1538 1 4 . 1 1 44 44 GLY CA C 44 45.606 45.606 44.770 0.836 19449 1539 1 4 . 1 1 44 44 GLY H H 44 8.697 8.697 8.340 0.357 19449 1540 1 4 . 1 1 45 45 LEU N N 45 120.387 120.387 119.032 1.355 19449 1541 1 4 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.840 -0.091 19449 1542 1 4 . 1 1 45 45 LEU C C 45 178.175 178.175 175.443 2.732 19449 1543 1 4 . 1 1 45 45 LEU CA C 45 53.328 53.328 53.308 0.020 19449 1544 1 4 . 1 1 45 45 LEU CB C 45 44.992 44.992 45.027 -0.035 19449 1545 1 4 . 1 1 45 45 LEU H H 45 7.565 7.565 7.605 -0.040 19449 1546 1 4 . 1 1 46 46 SER N N 46 118.894 118.894 114.746 4.148 19449 1547 1 4 . 1 1 46 46 SER HA H 46 4.313 4.313 4.764 -0.451 19449 1548 1 4 . 1 1 46 46 SER C C 46 174.896 174.896 175.520 -0.624 19449 1549 1 4 . 1 1 46 46 SER CA C 46 57.022 57.022 56.503 0.519 19449 1550 1 4 . 1 1 46 46 SER CB C 46 64.252 64.252 65.274 -1.022 19449 1551 1 4 . 1 1 46 46 SER H H 46 8.896 8.896 8.233 0.663 19449 1552 1 4 . 1 1 47 47 LEU N N 47 124.460 124.460 122.595 1.865 19449 1553 1 4 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.496 -0.873 19449 1554 1 4 . 1 1 47 47 LEU C C 47 179.220 179.220 179.114 0.106 19449 1555 1 4 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.740 1.392 19449 1556 1 4 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.344 0.345 19449 1557 1 4 . 1 1 47 47 LEU H H 47 8.720 8.720 8.884 -0.164 19449 1558 1 4 . 1 1 48 48 ILE N N 48 115.654 115.654 119.709 -4.055 19449 1559 1 4 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.926 -0.296 19449 1560 1 4 . 1 1 48 48 ILE C C 48 178.433 178.433 177.823 0.610 19449 1561 1 4 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.970 0.230 19449 1562 1 4 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.593 1.306 19449 1563 1 4 . 1 1 48 48 ILE H H 48 7.920 7.920 7.643 0.277 19449 1564 1 4 . 1 1 49 49 ASN N N 49 120.529 120.529 118.724 1.805 19449 1565 1 4 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.501 0.150 19449 1566 1 4 . 1 1 49 49 ASN C C 49 178.478 178.478 178.265 0.213 19449 1567 1 4 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.460 -0.764 19449 1568 1 4 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.797 0.097 19449 1569 1 4 . 1 1 49 49 ASN H H 49 7.449 7.449 8.360 -0.911 19449 1570 1 4 . 1 1 50 50 GLN N N 50 122.483 122.483 119.402 3.081 19449 1571 1 4 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.104 -0.245 19449 1572 1 4 . 1 1 50 50 GLN C C 50 177.657 177.657 178.444 -0.787 19449 1573 1 4 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.481 0.165 19449 1574 1 4 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.871 -0.950 19449 1575 1 4 . 1 1 50 50 GLN H H 50 8.664 8.664 8.673 -0.009 19449 1576 1 4 . 1 1 51 51 HIS N N 51 116.297 116.297 118.532 -2.235 19449 1577 1 4 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.438 -0.567 19449 1578 1 4 . 1 1 51 51 HIS CA C 51 59.635 59.635 58.883 0.751 19449 1579 1 4 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.116 -0.005 19449 1580 1 4 . 1 1 51 51 HIS H H 51 8.206 8.206 7.780 0.426 19449 1581 1 4 . 1 1 52 52 LYS N N 52 120.443 120.443 119.900 0.543 19449 1582 1 4 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.202 -0.348 19449 1583 1 4 . 1 1 52 52 LYS C C 52 178.162 178.162 178.676 -0.514 19449 1584 1 4 . 1 1 52 52 LYS CA C 52 60.085 60.085 59.165 0.920 19449 1585 1 4 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.840 -0.188 19449 1586 1 4 . 1 1 52 52 LYS H H 52 8.282 8.282 8.117 0.165 19449 1587 1 4 . 1 1 53 53 LEU N N 53 117.663 117.663 120.424 -2.761 19449 1588 1 4 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.030 0.091 19449 1589 1 4 . 1 1 53 53 LEU C C 53 180.570 180.570 178.542 2.028 19449 1590 1 4 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.441 -0.254 19449 1591 1 4 . 1 1 53 53 LEU CB C 53 42.854 42.854 41.954 0.900 19449 1592 1 4 . 1 1 53 53 LEU H H 53 7.528 7.528 8.550 -1.022 19449 1593 1 4 . 1 1 54 54 VAL N N 54 118.963 118.963 114.635 4.328 19449 1594 1 4 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.970 -0.320 19449 1595 1 4 . 1 1 54 54 VAL C C 54 177.185 177.185 177.138 0.047 19449 1596 1 4 . 1 1 54 54 VAL CA C 54 66.678 66.678 65.902 0.776 19449 1597 1 4 . 1 1 54 54 VAL CB C 54 31.630 31.630 30.844 0.786 19449 1598 1 4 . 1 1 54 54 VAL H H 54 7.286 7.286 7.724 -0.438 19449 1599 1 4 . 1 1 55 55 LYS N N 55 119.061 119.061 118.287 0.774 19449 1600 1 4 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.253 -0.668 19449 1601 1 4 . 1 1 55 55 LYS C C 55 179.976 179.976 178.925 1.051 19449 1602 1 4 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.203 2.663 19449 1603 1 4 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.265 -0.522 19449 1604 1 4 . 1 1 55 55 LYS H H 55 8.539 8.539 7.756 0.783 19449 1605 1 4 . 1 1 56 56 ASN N N 56 117.807 117.807 118.855 -1.048 19449 1606 1 4 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.640 -0.292 19449 1607 1 4 . 1 1 56 56 ASN C C 56 178.363 178.363 177.294 1.069 19449 1608 1 4 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.696 0.229 19449 1609 1 4 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.428 -0.785 19449 1610 1 4 . 1 1 56 56 ASN H H 56 8.640 8.640 8.359 0.281 19449 1611 1 4 . 1 1 57 57 ALA N N 57 122.142 122.142 121.134 1.008 19449 1612 1 4 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.118 0.035 19449 1613 1 4 . 1 1 57 57 ALA C C 57 178.976 178.976 177.455 1.521 19449 1614 1 4 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.040 0.464 19449 1615 1 4 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.645 0.358 19449 1616 1 4 . 1 1 57 57 ALA H H 57 7.436 7.436 8.324 -0.888 19449 1617 1 4 . 1 1 58 58 LEU N N 58 115.109 115.109 109.996 5.113 19449 1618 1 4 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.583 -0.239 19449 1619 1 4 . 1 1 58 58 LEU C C 58 177.792 177.792 177.226 0.566 19449 1620 1 4 . 1 1 58 58 LEU CA C 58 53.791 53.791 55.462 -1.671 19449 1621 1 4 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.831 -0.265 19449 1622 1 4 . 1 1 58 58 LEU H H 58 7.458 7.458 7.126 0.332 19449 1623 1 4 . 1 1 59 59 SER N N 59 117.442 117.442 115.095 2.347 19449 1624 1 4 . 1 1 59 59 SER HA H 59 3.967 3.967 4.342 -0.375 19449 1625 1 4 . 1 1 59 59 SER C C 59 175.721 175.721 175.514 0.207 19449 1626 1 4 . 1 1 59 59 SER CA C 59 62.464 62.464 61.322 1.142 19449 1627 1 4 . 1 1 59 59 SER CB C 59 63.058 63.058 63.727 -0.669 19449 1628 1 4 . 1 1 59 59 SER H H 59 7.559 7.559 7.339 0.220 19449 1629 1 4 . 1 1 60 60 GLU N N 60 118.774 118.774 120.283 -1.509 19449 1630 1 4 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.234 -0.085 19449 1631 1 4 . 1 1 60 60 GLU C C 60 177.223 177.223 177.625 -0.402 19449 1632 1 4 . 1 1 60 60 GLU CA C 60 58.231 58.231 58.252 -0.021 19449 1633 1 4 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.987 -0.176 19449 1634 1 4 . 1 1 60 60 GLU H H 60 8.491 8.491 7.939 0.552 19449 1635 1 4 . 1 1 61 61 ILE N N 61 112.097 112.097 118.627 -6.530 19449 1636 1 4 . 1 1 61 61 ILE HA H 61 4.260 4.260 3.993 0.267 19449 1637 1 4 . 1 1 61 61 ILE C C 61 177.352 177.352 175.792 1.560 19449 1638 1 4 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.525 -0.091 19449 1639 1 4 . 1 1 61 61 ILE CB C 61 39.900 39.900 37.974 1.926 19449 1640 1 4 . 1 1 61 61 ILE H H 61 7.582 7.582 8.010 -0.428 19449 1641 1 4 . 1 1 62 62 LEU N N 62 124.848 124.848 117.352 7.496 19449 1642 1 4 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.061 0.132 19449 1643 1 4 . 1 1 62 62 LEU C C 62 177.476 177.476 176.710 0.766 19449 1644 1 4 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.373 1.236 19449 1645 1 4 . 1 1 62 62 LEU CB C 62 41.516 41.516 39.064 2.452 19449 1646 1 4 . 1 1 62 62 LEU H H 62 8.113 8.113 7.646 0.467 19449 1647 1 4 . 1 1 63 63 ASN N N 63 117.202 117.202 117.013 0.189 19449 1648 1 4 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.625 -0.374 19449 1649 1 4 . 1 1 63 63 ASN C C 63 174.911 174.911 175.358 -0.447 19449 1650 1 4 . 1 1 63 63 ASN CA C 63 55.685 55.685 53.953 1.732 19449 1651 1 4 . 1 1 63 63 ASN CB C 63 37.948 37.948 39.375 -1.427 19449 1652 1 4 . 1 1 63 63 ASN H H 63 8.507 8.507 8.466 0.041 19449 1653 1 4 . 1 1 64 64 LYS N N 64 118.109 118.109 119.844 -1.735 19449 1654 1 4 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.486 -0.221 19449 1655 1 4 . 1 1 64 64 LYS C C 64 175.964 175.964 175.298 0.666 19449 1656 1 4 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.411 2.181 19449 1657 1 4 . 1 1 64 64 LYS CB C 64 33.841 33.841 34.535 -0.694 19449 1658 1 4 . 1 1 64 64 LYS H H 64 7.691 7.691 7.882 -0.191 19449 1659 1 4 . 1 1 65 65 LYS N N 65 116.060 116.060 122.506 -6.446 19449 1660 1 4 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.102 0.227 19449 1661 1 4 . 1 1 65 65 LYS C C 65 174.912 174.912 176.347 -1.435 19449 1662 1 4 . 1 1 65 65 LYS CA C 65 56.422 56.422 56.935 -0.513 19449 1663 1 4 . 1 1 65 65 LYS CB C 65 34.292 34.292 32.857 1.435 19449 1664 1 4 . 1 1 65 65 LYS H H 65 7.805 7.805 8.408 -0.603 19449 1665 1 4 . 1 1 66 66 LEU N N 66 118.796 118.796 121.742 -2.946 19449 1666 1 4 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.091 0.392 19449 1667 1 4 . 1 1 66 66 LEU CA C 66 54.089 54.089 55.461 -1.372 19449 1668 1 4 . 1 1 66 66 LEU CB C 66 43.732 43.732 42.215 1.517 19449 1669 1 4 . 1 1 66 66 LEU H H 66 7.386 7.386 8.204 -0.818 19449 1670 1 4 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.730 -0.199 19449 1671 1 4 . 1 1 67 67 HIS CA C 67 57.560 57.560 54.729 2.831 19449 1672 1 4 . 1 1 67 67 HIS CB C 67 29.560 29.560 30.625 -1.065 19449 1673 1 4 . 1 1 68 68 SER N N 68 113.247 113.247 117.409 -4.162 19449 1674 1 4 . 1 1 68 68 SER HA H 68 4.521 4.521 4.816 -0.295 19449 1675 1 4 . 1 1 68 68 SER C C 68 172.449 172.449 173.976 -1.527 19449 1676 1 4 . 1 1 68 68 SER CA C 68 57.887 57.887 57.986 -0.099 19449 1677 1 4 . 1 1 68 68 SER CB C 68 63.781 63.781 63.506 0.275 19449 1678 1 4 . 1 1 68 68 SER H H 68 7.505 7.505 8.532 -1.027 19449 1679 1 4 . 1 1 69 69 ILE N N 69 122.511 122.511 118.219 4.292 19449 1680 1 4 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.247 0.713 19449 1681 1 4 . 1 1 69 69 ILE C C 69 173.796 173.796 174.502 -0.706 19449 1682 1 4 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.729 -0.475 19449 1683 1 4 . 1 1 69 69 ILE CB C 69 41.297 41.297 40.790 0.507 19449 1684 1 4 . 1 1 69 69 ILE H H 69 8.172 8.172 8.164 0.008 19449 1685 1 4 . 1 1 70 70 SER N N 70 122.242 122.242 116.467 5.775 19449 1686 1 4 . 1 1 70 70 SER HA H 70 4.683 4.683 4.932 -0.249 19449 1687 1 4 . 1 1 70 70 SER C C 70 173.443 173.443 173.763 -0.320 19449 1688 1 4 . 1 1 70 70 SER CA C 70 56.687 56.687 57.331 -0.644 19449 1689 1 4 . 1 1 70 70 SER CB C 70 64.027 64.027 64.113 -0.086 19449 1690 1 4 . 1 1 70 70 SER H H 70 8.428 8.428 8.284 0.144 19449 1691 1 4 . 1 1 71 71 ILE N N 71 125.615 125.615 128.212 -2.597 19449 1692 1 4 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.452 -0.283 19449 1693 1 4 . 1 1 71 71 ILE C C 71 173.769 173.769 174.144 -0.375 19449 1694 1 4 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.309 1.282 19449 1695 1 4 . 1 1 71 71 ILE CB C 71 40.978 40.978 39.483 1.495 19449 1696 1 4 . 1 1 71 71 ILE H H 71 8.615 8.615 8.931 -0.316 19449 1697 1 4 . 1 1 72 72 LYS N N 72 129.141 129.141 128.136 1.005 19449 1698 1 4 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.585 0.043 19449 1699 1 4 . 1 1 72 72 LYS C C 72 174.425 174.425 175.400 -0.975 19449 1700 1 4 . 1 1 72 72 LYS CA C 72 55.278 55.278 54.999 0.279 19449 1701 1 4 . 1 1 72 72 LYS CB C 72 35.146 35.146 35.026 0.120 19449 1702 1 4 . 1 1 72 72 LYS H H 72 8.419 8.419 9.029 -0.610 19449 1703 1 4 . 1 1 73 73 THR N N 73 116.054 116.054 117.840 -1.786 19449 1704 1 4 . 1 1 73 73 THR HA H 73 4.695 4.695 4.398 0.297 19449 1705 1 4 . 1 1 73 73 THR C C 73 174.550 174.550 173.946 0.604 19449 1706 1 4 . 1 1 73 73 THR CA C 73 58.793 58.793 61.277 -2.484 19449 1707 1 4 . 1 1 73 73 THR CB C 73 68.752 68.752 68.722 0.031 19449 1708 1 4 . 1 1 73 73 THR H H 73 8.258 8.258 8.372 -0.114 19449 1709 1 4 . 1 1 74 74 ILE N N 74 124.787 124.787 127.520 -2.733 19449 1710 1 4 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.319 -0.088 19449 1711 1 4 . 1 1 74 74 ILE C C 74 175.033 175.033 174.143 0.890 19449 1712 1 4 . 1 1 74 74 ILE CA C 74 60.813 60.813 59.690 1.123 19449 1713 1 4 . 1 1 74 74 ILE CB C 74 40.771 40.771 41.070 -0.299 19449 1714 1 4 . 1 1 74 74 ILE H H 74 8.655 8.655 8.738 -0.083 19449 1715 1 4 . 1 1 75 75 SER N N 75 121.778 121.778 118.832 2.946 19449 1716 1 4 . 1 1 75 75 SER HA H 75 4.574 4.574 5.066 -0.492 19449 1717 1 4 . 1 1 75 75 SER C C 75 173.153 173.153 173.755 -0.602 19449 1718 1 4 . 1 1 75 75 SER CA C 75 58.586 58.586 56.257 2.329 19449 1719 1 4 . 1 1 75 75 SER CB C 75 64.245 64.245 65.763 -1.518 19449 1720 1 4 . 1 1 75 75 SER H H 75 8.306 8.306 8.285 0.021 19449 1721 1 5 . 1 1 2 2 ALA N N 2 124.143 124.143 123.721 0.422 19449 1722 1 5 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.658 -0.224 19449 1723 1 5 . 1 1 2 2 ALA C C 2 177.129 177.129 177.837 -0.708 19449 1724 1 5 . 1 1 2 2 ALA CA C 2 52.125 52.125 52.328 -0.203 19449 1725 1 5 . 1 1 2 2 ALA CB C 2 20.239 20.239 19.346 0.893 19449 1726 1 5 . 1 1 2 2 ALA H H 2 7.998 7.998 8.166 -0.168 19449 1727 1 5 . 1 1 3 3 ILE N N 3 120.462 120.462 120.595 -0.133 19449 1728 1 5 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.283 0.061 19449 1729 1 5 . 1 1 3 3 ILE C C 3 173.994 173.994 175.080 -1.086 19449 1730 1 5 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.453 -0.895 19449 1731 1 5 . 1 1 3 3 ILE CB C 3 39.826 39.826 39.820 0.006 19449 1732 1 5 . 1 1 3 3 ILE H H 3 8.659 8.659 7.746 0.913 19449 1733 1 5 . 1 1 4 4 SER N N 4 122.216 122.216 120.750 1.466 19449 1734 1 5 . 1 1 4 4 SER HA H 4 4.532 4.532 4.309 0.223 19449 1735 1 5 . 1 1 4 4 SER C C 4 174.562 174.562 175.911 -1.349 19449 1736 1 5 . 1 1 4 4 SER CA C 4 57.162 57.162 58.815 -1.653 19449 1737 1 5 . 1 1 4 4 SER CB C 4 65.966 65.966 63.726 2.240 19449 1738 1 5 . 1 1 4 4 SER H H 4 8.376 8.376 8.485 -0.109 19449 1739 1 5 . 1 1 5 5 ALA N N 5 124.531 124.531 128.464 -3.933 19449 1740 1 5 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.893 -0.368 19449 1741 1 5 . 1 1 5 5 ALA C C 5 179.834 179.834 179.037 0.797 19449 1742 1 5 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.481 1.035 19449 1743 1 5 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.602 -0.552 19449 1744 1 5 . 1 1 5 5 ALA H H 5 8.986 8.986 8.819 0.167 19449 1745 1 5 . 1 1 6 6 GLU N N 6 117.333 117.333 117.362 -0.029 19449 1746 1 5 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.063 -0.141 19449 1747 1 5 . 1 1 6 6 GLU C C 6 179.125 179.125 178.409 0.716 19449 1748 1 5 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.339 1.405 19449 1749 1 5 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.866 0.404 19449 1750 1 5 . 1 1 6 6 GLU H H 6 8.526 8.526 8.691 -0.165 19449 1751 1 5 . 1 1 7 7 GLU N N 7 120.933 120.933 119.483 1.450 19449 1752 1 5 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.171 -0.297 19449 1753 1 5 . 1 1 7 7 GLU C C 7 178.705 178.705 177.816 0.889 19449 1754 1 5 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.652 1.364 19449 1755 1 5 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.591 0.018 19449 1756 1 5 . 1 1 7 7 GLU H H 7 7.696 7.696 7.834 -0.138 19449 1757 1 5 . 1 1 8 8 LEU N N 8 120.345 120.345 120.156 0.189 19449 1758 1 5 . 1 1 8 8 LEU HA H 8 3.728 3.728 3.959 -0.231 19449 1759 1 5 . 1 1 8 8 LEU C C 8 177.984 177.984 177.516 0.468 19449 1760 1 5 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.686 0.252 19449 1761 1 5 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.904 -0.161 19449 1762 1 5 . 1 1 8 8 LEU H H 8 8.092 8.092 7.442 0.650 19449 1763 1 5 . 1 1 9 9 GLU N N 9 118.656 118.656 116.815 1.841 19449 1764 1 5 . 1 1 9 9 GLU HA H 9 3.528 3.528 4.017 -0.489 19449 1765 1 5 . 1 1 9 9 GLU C C 9 177.280 177.280 178.412 -1.132 19449 1766 1 5 . 1 1 9 9 GLU CA C 9 60.629 60.629 58.923 1.706 19449 1767 1 5 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.832 0.311 19449 1768 1 5 . 1 1 9 9 GLU H H 9 8.104 8.104 7.747 0.357 19449 1769 1 5 . 1 1 10 10 LYS N N 10 117.661 117.661 118.884 -1.223 19449 1770 1 5 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.058 -0.285 19449 1771 1 5 . 1 1 10 10 LYS C C 10 179.895 179.895 178.734 1.161 19449 1772 1 5 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.686 1.235 19449 1773 1 5 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.750 0.637 19449 1774 1 5 . 1 1 10 10 LYS H H 10 7.565 7.565 7.925 -0.360 19449 1775 1 5 . 1 1 11 11 ILE N N 11 119.359 119.359 119.066 0.293 19449 1776 1 5 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.813 -0.197 19449 1777 1 5 . 1 1 11 11 ILE C C 11 179.908 179.908 177.909 1.999 19449 1778 1 5 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.188 0.792 19449 1779 1 5 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.064 0.351 19449 1780 1 5 . 1 1 11 11 ILE H H 11 7.894 7.894 7.212 0.682 19449 1781 1 5 . 1 1 12 12 LEU N N 12 121.478 121.478 120.998 0.480 19449 1782 1 5 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.894 0.079 19449 1783 1 5 . 1 1 12 12 LEU C C 12 179.346 179.346 179.106 0.240 19449 1784 1 5 . 1 1 12 12 LEU CA C 12 58.306 58.306 58.114 0.193 19449 1785 1 5 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.271 1.582 19449 1786 1 5 . 1 1 12 12 LEU H H 12 8.180 8.180 7.812 0.368 19449 1787 1 5 . 1 1 13 13 LYS N N 13 119.072 119.072 117.989 1.083 19449 1788 1 5 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.117 -0.326 19449 1789 1 5 . 1 1 13 13 LYS C C 13 177.763 177.763 177.905 -0.142 19449 1790 1 5 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.715 -0.820 19449 1791 1 5 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.134 -0.054 19449 1792 1 5 . 1 1 13 13 LYS H H 13 8.648 8.648 8.418 0.230 19449 1793 1 5 . 1 1 14 14 LYS N N 14 116.972 116.972 116.604 0.368 19449 1794 1 5 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.130 -0.167 19449 1795 1 5 . 1 1 14 14 LYS C C 14 178.525 178.525 177.884 0.641 19449 1796 1 5 . 1 1 14 14 LYS CA C 14 59.180 59.180 57.992 1.188 19449 1797 1 5 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.463 -0.361 19449 1798 1 5 . 1 1 14 14 LYS H H 14 7.225 7.225 7.867 -0.642 19449 1799 1 5 . 1 1 15 15 SER N N 15 111.938 111.938 114.341 -2.403 19449 1800 1 5 . 1 1 15 15 SER HA H 15 4.206 4.206 4.265 -0.059 19449 1801 1 5 . 1 1 15 15 SER C C 15 172.812 172.812 174.381 -1.569 19449 1802 1 5 . 1 1 15 15 SER CA C 15 60.745 60.745 59.309 1.435 19449 1803 1 5 . 1 1 15 15 SER CB C 15 64.381 64.381 64.655 -0.274 19449 1804 1 5 . 1 1 15 15 SER H H 15 6.913 6.913 7.867 -0.954 19449 1805 1 5 . 1 1 16 16 PHE N N 16 118.448 118.448 121.621 -3.173 19449 1806 1 5 . 1 1 16 16 PHE HA H 16 4.856 4.856 4.966 -0.110 19449 1807 1 5 . 1 1 16 16 PHE CA C 16 54.828 54.828 55.071 -0.243 19449 1808 1 5 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.764 -1.194 19449 1809 1 5 . 1 1 16 16 PHE H H 16 8.222 8.222 8.356 -0.134 19449 1810 1 5 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.282 0.291 19449 1811 1 5 . 1 1 17 17 PRO C C 17 178.807 178.807 178.008 0.799 19449 1812 1 5 . 1 1 17 17 PRO CA C 17 65.800 65.800 65.289 0.511 19449 1813 1 5 . 1 1 17 17 PRO CB C 17 32.018 32.018 31.952 0.066 19449 1814 1 5 . 1 1 18 18 SER N N 18 116.179 116.179 114.387 1.792 19449 1815 1 5 . 1 1 18 18 SER HA H 18 4.716 4.716 4.289 0.427 19449 1816 1 5 . 1 1 18 18 SER C C 18 174.085 174.085 174.517 -0.432 19449 1817 1 5 . 1 1 18 18 SER CA C 18 57.161 57.161 60.099 -2.938 19449 1818 1 5 . 1 1 18 18 SER CB C 18 63.144 63.144 62.851 0.293 19449 1819 1 5 . 1 1 18 18 SER H H 18 9.427 9.427 8.500 0.927 19449 1820 1 5 . 1 1 19 19 SER N N 19 116.639 116.639 115.737 0.902 19449 1821 1 5 . 1 1 19 19 SER HA H 19 4.750 4.750 4.582 0.168 19449 1822 1 5 . 1 1 19 19 SER C C 19 175.392 175.392 174.259 1.133 19449 1823 1 5 . 1 1 19 19 SER CA C 19 58.398 58.398 59.645 -1.247 19449 1824 1 5 . 1 1 19 19 SER CB C 19 66.246 66.246 64.254 1.992 19449 1825 1 5 . 1 1 19 19 SER H H 19 7.303 7.303 7.674 -0.371 19449 1826 1 5 . 1 1 20 20 VAL N N 20 119.200 119.200 122.958 -3.758 19449 1827 1 5 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.214 -0.063 19449 1828 1 5 . 1 1 20 20 VAL C C 20 175.866 175.866 174.847 1.019 19449 1829 1 5 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.406 1.227 19449 1830 1 5 . 1 1 20 20 VAL CB C 20 33.213 33.213 31.586 1.627 19449 1831 1 5 . 1 1 20 20 VAL H H 20 8.354 8.354 7.996 0.358 19449 1832 1 5 . 1 1 21 21 ILE N N 21 128.342 128.342 129.111 -0.769 19449 1833 1 5 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.293 0.392 19449 1834 1 5 . 1 1 21 21 ILE C C 21 174.757 174.757 175.605 -0.848 19449 1835 1 5 . 1 1 21 21 ILE CA C 21 60.521 60.521 61.532 -1.011 19449 1836 1 5 . 1 1 21 21 ILE CB C 21 41.455 41.455 38.611 2.844 19449 1837 1 5 . 1 1 21 21 ILE H H 21 8.668 8.668 8.338 0.330 19449 1838 1 5 . 1 1 22 22 LYS N N 22 128.866 128.866 127.374 1.492 19449 1839 1 5 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.570 -0.027 19449 1840 1 5 . 1 1 22 22 LYS C C 22 174.900 174.900 173.976 0.924 19449 1841 1 5 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.643 0.918 19449 1842 1 5 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.376 -0.886 19449 1843 1 5 . 1 1 22 22 LYS H H 22 9.004 9.004 8.449 0.555 19449 1844 1 5 . 1 1 23 23 ILE N N 23 127.570 127.570 121.220 6.350 19449 1845 1 5 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.919 -0.102 19449 1846 1 5 . 1 1 23 23 ILE C C 23 175.206 175.206 176.050 -0.844 19449 1847 1 5 . 1 1 23 23 ILE CA C 23 60.258 60.258 59.683 0.575 19449 1848 1 5 . 1 1 23 23 ILE CB C 23 40.379 40.379 40.784 -0.405 19449 1849 1 5 . 1 1 23 23 ILE H H 23 8.869 8.869 8.422 0.447 19449 1850 1 5 . 1 1 24 24 THR N N 24 122.480 122.480 120.634 1.846 19449 1851 1 5 . 1 1 24 24 THR HA H 24 4.532 4.532 4.680 -0.148 19449 1852 1 5 . 1 1 24 24 THR C C 24 173.003 173.003 173.400 -0.397 19449 1853 1 5 . 1 1 24 24 THR CA C 24 61.182 61.182 60.925 0.257 19449 1854 1 5 . 1 1 24 24 THR CB C 24 71.402 71.402 71.129 0.273 19449 1855 1 5 . 1 1 24 24 THR H H 24 8.856 8.856 8.671 0.185 19449 1856 1 5 . 1 1 25 25 ASP N N 25 126.508 126.508 125.003 1.505 19449 1857 1 5 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.798 -0.101 19449 1858 1 5 . 1 1 25 25 ASP C C 25 176.417 176.417 175.233 1.184 19449 1859 1 5 . 1 1 25 25 ASP CA C 25 53.225 53.225 54.240 -1.015 19449 1860 1 5 . 1 1 25 25 ASP CB C 25 40.744 40.744 39.610 1.134 19449 1861 1 5 . 1 1 25 25 ASP H H 25 8.984 8.984 8.746 0.238 19449 1862 1 5 . 1 1 26 26 LEU N N 26 125.128 125.128 123.349 1.779 19449 1863 1 5 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.445 -0.355 19449 1864 1 5 . 1 1 26 26 LEU C C 26 177.615 177.615 175.144 2.471 19449 1865 1 5 . 1 1 26 26 LEU CA C 26 56.409 56.409 54.850 1.559 19449 1866 1 5 . 1 1 26 26 LEU CB C 26 42.808 42.808 42.806 0.002 19449 1867 1 5 . 1 1 26 26 LEU H H 26 8.493 8.493 8.251 0.242 19449 1868 1 5 . 1 1 27 27 VAL N N 27 116.931 116.931 118.907 -1.976 19449 1869 1 5 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.402 -0.390 19449 1870 1 5 . 1 1 27 27 VAL C C 27 176.064 176.064 176.652 -0.588 19449 1871 1 5 . 1 1 27 27 VAL CA C 27 62.772 62.772 60.449 2.323 19449 1872 1 5 . 1 1 27 27 VAL CB C 27 34.397 34.397 33.736 0.661 19449 1873 1 5 . 1 1 27 27 VAL H H 27 8.111 8.111 7.479 0.632 19449 1874 1 5 . 1 1 28 28 GLY N N 28 111.338 111.338 110.803 0.535 19449 1875 1 5 . 1 1 28 28 GLY C C 28 174.054 174.054 173.791 0.263 19449 1876 1 5 . 1 1 28 28 GLY CA C 28 45.634 45.634 44.788 0.846 19449 1877 1 5 . 1 1 28 28 GLY H H 28 8.947 8.947 8.481 0.466 19449 1878 1 5 . 1 1 29 29 ASP N N 29 119.343 119.343 119.654 -0.311 19449 1879 1 5 . 1 1 29 29 ASP C C 29 175.806 175.806 175.239 0.567 19449 1880 1 5 . 1 1 29 29 ASP CA C 29 52.520 52.520 55.178 -2.658 19449 1881 1 5 . 1 1 29 29 ASP CB C 29 41.120 41.120 40.261 0.858 19449 1882 1 5 . 1 1 29 29 ASP H H 29 7.802 7.802 7.709 0.093 19449 1883 1 5 . 1 1 30 30 GLN N N 30 116.835 116.835 121.313 -4.478 19449 1884 1 5 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.477 -0.896 19449 1885 1 5 . 1 1 30 30 GLN C C 30 174.351 174.351 174.919 -0.568 19449 1886 1 5 . 1 1 30 30 GLN CA C 30 57.299 57.299 55.240 2.058 19449 1887 1 5 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.159 -1.809 19449 1888 1 5 . 1 1 30 30 GLN H H 30 9.284 9.284 8.253 1.031 19449 1889 1 5 . 1 1 31 31 ASP N N 31 114.773 114.773 118.239 -3.466 19449 1890 1 5 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.408 0.349 19449 1891 1 5 . 1 1 31 31 ASP C C 31 174.994 174.994 174.560 0.434 19449 1892 1 5 . 1 1 31 31 ASP CA C 31 53.587 53.587 55.834 -2.247 19449 1893 1 5 . 1 1 31 31 ASP CB C 31 42.674 42.674 38.899 3.775 19449 1894 1 5 . 1 1 31 31 ASP H H 31 7.762 7.762 8.849 -1.087 19449 1895 1 5 . 1 1 32 32 HIS N N 32 116.715 116.715 116.007 0.708 19449 1896 1 5 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.889 -0.070 19449 1897 1 5 . 1 1 32 32 HIS CA C 32 55.006 55.006 55.691 -0.685 19449 1898 1 5 . 1 1 32 32 HIS CB C 32 30.246 30.246 32.671 -2.425 19449 1899 1 5 . 1 1 32 32 HIS H H 32 7.364 7.364 7.939 -0.575 19449 1900 1 5 . 1 1 33 33 TYR N N 33 118.888 118.888 120.446 -1.558 19449 1901 1 5 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.442 0.839 19449 1902 1 5 . 1 1 33 33 TYR C C 33 175.344 175.344 173.451 1.893 19449 1903 1 5 . 1 1 33 33 TYR CA C 33 57.486 57.486 57.908 -0.422 19449 1904 1 5 . 1 1 33 33 TYR CB C 33 42.046 42.046 42.794 -0.748 19449 1905 1 5 . 1 1 33 33 TYR H H 33 7.979 7.979 7.916 0.063 19449 1906 1 5 . 1 1 34 34 ALA N N 34 124.471 124.471 124.287 0.184 19449 1907 1 5 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.590 0.389 19449 1908 1 5 . 1 1 34 34 ALA C C 34 175.399 175.399 175.371 0.028 19449 1909 1 5 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.832 0.231 19449 1910 1 5 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.263 1.158 19449 1911 1 5 . 1 1 34 34 ALA H H 34 9.214 9.214 8.673 0.541 19449 1912 1 5 . 1 1 35 35 LEU N N 35 124.614 124.614 126.727 -2.113 19449 1913 1 5 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.753 0.206 19449 1914 1 5 . 1 1 35 35 LEU C C 35 174.694 174.694 175.375 -0.681 19449 1915 1 5 . 1 1 35 35 LEU CA C 35 53.283 53.283 53.982 -0.699 19449 1916 1 5 . 1 1 35 35 LEU CB C 35 45.575 45.575 44.462 1.113 19449 1917 1 5 . 1 1 35 35 LEU H H 35 8.855 8.855 8.800 0.055 19449 1918 1 5 . 1 1 36 36 GLU N N 36 127.949 127.949 122.572 5.377 19449 1919 1 5 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.993 0.241 19449 1920 1 5 . 1 1 36 36 GLU C C 36 174.441 174.441 174.531 -0.090 19449 1921 1 5 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.408 0.389 19449 1922 1 5 . 1 1 36 36 GLU CB C 36 31.608 31.608 32.069 -0.461 19449 1923 1 5 . 1 1 36 36 GLU H H 36 9.085 9.085 8.780 0.305 19449 1924 1 5 . 1 1 37 37 ILE N N 37 123.414 123.414 124.907 -1.493 19449 1925 1 5 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.833 0.362 19449 1926 1 5 . 1 1 37 37 ILE C C 37 172.644 172.644 173.698 -1.054 19449 1927 1 5 . 1 1 37 37 ILE CA C 37 58.298 58.298 58.697 -0.399 19449 1928 1 5 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.773 -0.122 19449 1929 1 5 . 1 1 37 37 ILE H H 37 8.709 8.709 7.693 1.016 19449 1930 1 5 . 1 1 38 38 SER N N 38 123.499 123.499 123.052 0.447 19449 1931 1 5 . 1 1 38 38 SER HA H 38 5.989 5.989 5.151 0.838 19449 1932 1 5 . 1 1 38 38 SER C C 38 173.645 173.645 172.937 0.708 19449 1933 1 5 . 1 1 38 38 SER CA C 38 55.428 55.428 56.478 -1.050 19449 1934 1 5 . 1 1 38 38 SER CB C 38 64.017 64.017 63.929 0.088 19449 1935 1 5 . 1 1 38 38 SER H H 38 8.843 8.843 8.642 0.201 19449 1936 1 5 . 1 1 39 39 ASP N N 39 122.449 122.449 123.889 -1.440 19449 1937 1 5 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.976 -0.538 19449 1938 1 5 . 1 1 39 39 ASP C C 39 175.131 175.131 174.730 0.401 19449 1939 1 5 . 1 1 39 39 ASP CA C 39 55.009 55.009 51.935 3.074 19449 1940 1 5 . 1 1 39 39 ASP CB C 39 46.600 46.600 44.396 2.204 19449 1941 1 5 . 1 1 39 39 ASP H H 39 8.211 8.211 8.063 0.148 19449 1942 1 5 . 1 1 40 40 ALA N N 40 129.616 129.616 120.020 9.596 19449 1943 1 5 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.872 -0.503 19449 1944 1 5 . 1 1 40 40 ALA C C 40 180.467 180.467 177.834 2.633 19449 1945 1 5 . 1 1 40 40 ALA CA C 40 53.868 53.868 52.542 1.326 19449 1946 1 5 . 1 1 40 40 ALA CB C 40 18.372 18.372 19.173 -0.801 19449 1947 1 5 . 1 1 40 40 ALA H H 40 8.730 8.730 8.682 0.048 19449 1948 1 5 . 1 1 41 41 GLN N N 41 119.804 119.804 118.445 1.359 19449 1949 1 5 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.411 -0.441 19449 1950 1 5 . 1 1 41 41 GLN C C 41 176.767 176.767 177.030 -0.263 19449 1951 1 5 . 1 1 41 41 GLN CA C 41 58.257 58.257 56.655 1.602 19449 1952 1 5 . 1 1 41 41 GLN CB C 41 29.807 29.807 30.137 -0.330 19449 1953 1 5 . 1 1 41 41 GLN H H 41 10.188 10.188 8.032 2.156 19449 1954 1 5 . 1 1 42 42 PHE N N 42 114.111 114.111 117.816 -3.705 19449 1955 1 5 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.330 0.229 19449 1956 1 5 . 1 1 42 42 PHE C C 42 176.183 176.183 175.106 1.077 19449 1957 1 5 . 1 1 42 42 PHE CA C 42 55.829 55.829 57.140 -1.311 19449 1958 1 5 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.140 -0.528 19449 1959 1 5 . 1 1 42 42 PHE H H 42 7.010 7.010 8.270 -1.260 19449 1960 1 5 . 1 1 43 43 ASN N N 43 118.260 118.260 119.730 -1.470 19449 1961 1 5 . 1 1 43 43 ASN HA H 43 4.292 4.292 3.813 0.479 19449 1962 1 5 . 1 1 43 43 ASN C C 43 176.455 176.455 176.093 0.362 19449 1963 1 5 . 1 1 43 43 ASN CA C 43 55.282 55.282 54.794 0.488 19449 1964 1 5 . 1 1 43 43 ASN CB C 43 37.930 37.930 37.564 0.366 19449 1965 1 5 . 1 1 43 43 ASN H H 43 7.528 7.528 8.045 -0.517 19449 1966 1 5 . 1 1 44 44 GLY N N 44 111.528 111.528 109.797 1.731 19449 1967 1 5 . 1 1 44 44 GLY C C 44 173.888 173.888 173.930 -0.042 19449 1968 1 5 . 1 1 44 44 GLY CA C 44 45.606 45.606 44.666 0.940 19449 1969 1 5 . 1 1 44 44 GLY H H 44 8.697 8.697 7.998 0.699 19449 1970 1 5 . 1 1 45 45 LEU N N 45 120.387 120.387 120.640 -0.253 19449 1971 1 5 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.754 -0.005 19449 1972 1 5 . 1 1 45 45 LEU C C 45 178.175 178.175 175.931 2.244 19449 1973 1 5 . 1 1 45 45 LEU CA C 45 53.328 53.328 54.200 -0.872 19449 1974 1 5 . 1 1 45 45 LEU CB C 45 44.992 44.992 43.770 1.222 19449 1975 1 5 . 1 1 45 45 LEU H H 45 7.565 7.565 8.170 -0.605 19449 1976 1 5 . 1 1 46 46 SER N N 46 118.894 118.894 114.414 4.480 19449 1977 1 5 . 1 1 46 46 SER HA H 46 4.313 4.313 4.710 -0.397 19449 1978 1 5 . 1 1 46 46 SER C C 46 174.896 174.896 175.901 -1.005 19449 1979 1 5 . 1 1 46 46 SER CA C 46 57.022 57.022 56.367 0.655 19449 1980 1 5 . 1 1 46 46 SER CB C 46 64.252 64.252 64.848 -0.596 19449 1981 1 5 . 1 1 46 46 SER H H 46 8.896 8.896 8.219 0.677 19449 1982 1 5 . 1 1 47 47 LEU N N 47 124.460 124.460 122.486 1.974 19449 1983 1 5 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.277 -0.654 19449 1984 1 5 . 1 1 47 47 LEU C C 47 179.220 179.220 178.489 0.731 19449 1985 1 5 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.989 1.143 19449 1986 1 5 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.349 0.340 19449 1987 1 5 . 1 1 47 47 LEU H H 47 8.720 8.720 8.886 -0.166 19449 1988 1 5 . 1 1 48 48 ILE N N 48 115.654 115.654 119.350 -3.696 19449 1989 1 5 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.940 -0.310 19449 1990 1 5 . 1 1 48 48 ILE C C 48 178.433 178.433 177.770 0.663 19449 1991 1 5 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.546 0.654 19449 1992 1 5 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.660 1.239 19449 1993 1 5 . 1 1 48 48 ILE H H 48 7.920 7.920 7.586 0.334 19449 1994 1 5 . 1 1 49 49 ASN N N 49 120.529 120.529 119.078 1.451 19449 1995 1 5 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.523 0.128 19449 1996 1 5 . 1 1 49 49 ASN C C 49 178.478 178.478 178.199 0.279 19449 1997 1 5 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.394 -0.698 19449 1998 1 5 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.730 0.164 19449 1999 1 5 . 1 1 49 49 ASN H H 49 7.449 7.449 8.269 -0.820 19449 2000 1 5 . 1 1 50 50 GLN N N 50 122.483 122.483 118.986 3.497 19449 2001 1 5 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.056 -0.197 19449 2002 1 5 . 1 1 50 50 GLN C C 50 177.657 177.657 177.935 -0.278 19449 2003 1 5 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.590 0.056 19449 2004 1 5 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.773 -0.853 19449 2005 1 5 . 1 1 50 50 GLN H H 50 8.664 8.664 8.687 -0.023 19449 2006 1 5 . 1 1 51 51 HIS N N 51 116.297 116.297 118.054 -1.757 19449 2007 1 5 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.516 -0.645 19449 2008 1 5 . 1 1 51 51 HIS CA C 51 59.635 59.635 58.892 0.743 19449 2009 1 5 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.277 -0.166 19449 2010 1 5 . 1 1 51 51 HIS H H 51 8.206 8.206 7.751 0.455 19449 2011 1 5 . 1 1 52 52 LYS N N 52 120.443 120.443 120.198 0.245 19449 2012 1 5 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.232 -0.378 19449 2013 1 5 . 1 1 52 52 LYS C C 52 178.162 178.162 178.816 -0.654 19449 2014 1 5 . 1 1 52 52 LYS CA C 52 60.085 60.085 59.161 0.924 19449 2015 1 5 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.928 -0.276 19449 2016 1 5 . 1 1 52 52 LYS H H 52 8.282 8.282 8.042 0.240 19449 2017 1 5 . 1 1 53 53 LEU N N 53 117.663 117.663 120.270 -2.607 19449 2018 1 5 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.038 0.083 19449 2019 1 5 . 1 1 53 53 LEU C C 53 180.570 180.570 178.785 1.785 19449 2020 1 5 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.265 -0.077 19449 2021 1 5 . 1 1 53 53 LEU CB C 53 42.854 42.854 41.976 0.878 19449 2022 1 5 . 1 1 53 53 LEU H H 53 7.528 7.528 8.671 -1.143 19449 2023 1 5 . 1 1 54 54 VAL N N 54 118.963 118.963 114.881 4.082 19449 2024 1 5 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.897 -0.247 19449 2025 1 5 . 1 1 54 54 VAL C C 54 177.185 177.185 177.284 -0.099 19449 2026 1 5 . 1 1 54 54 VAL CA C 54 66.678 66.678 65.972 0.706 19449 2027 1 5 . 1 1 54 54 VAL CB C 54 31.630 31.630 30.773 0.857 19449 2028 1 5 . 1 1 54 54 VAL H H 54 7.286 7.286 7.676 -0.390 19449 2029 1 5 . 1 1 55 55 LYS N N 55 119.061 119.061 118.409 0.652 19449 2030 1 5 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.240 -0.655 19449 2031 1 5 . 1 1 55 55 LYS C C 55 179.976 179.976 178.926 1.050 19449 2032 1 5 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.458 2.408 19449 2033 1 5 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.112 -0.369 19449 2034 1 5 . 1 1 55 55 LYS H H 55 8.539 8.539 7.478 1.061 19449 2035 1 5 . 1 1 56 56 ASN N N 56 117.807 117.807 118.969 -1.162 19449 2036 1 5 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.640 -0.292 19449 2037 1 5 . 1 1 56 56 ASN C C 56 178.363 178.363 177.387 0.976 19449 2038 1 5 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.736 0.189 19449 2039 1 5 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.461 -0.818 19449 2040 1 5 . 1 1 56 56 ASN H H 56 8.640 8.640 8.276 0.364 19449 2041 1 5 . 1 1 57 57 ALA N N 57 122.142 122.142 121.841 0.301 19449 2042 1 5 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.180 -0.027 19449 2043 1 5 . 1 1 57 57 ALA C C 57 178.976 178.976 178.450 0.526 19449 2044 1 5 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.612 -0.108 19449 2045 1 5 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.761 0.242 19449 2046 1 5 . 1 1 57 57 ALA H H 57 7.436 7.436 8.508 -1.072 19449 2047 1 5 . 1 1 58 58 LEU N N 58 115.109 115.109 109.869 5.240 19449 2048 1 5 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.859 -0.515 19449 2049 1 5 . 1 1 58 58 LEU C C 58 177.792 177.792 177.444 0.348 19449 2050 1 5 . 1 1 58 58 LEU CA C 58 53.791 53.791 55.552 -1.761 19449 2051 1 5 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.164 0.402 19449 2052 1 5 . 1 1 58 58 LEU H H 58 7.458 7.458 7.304 0.154 19449 2053 1 5 . 1 1 59 59 SER N N 59 117.442 117.442 114.771 2.671 19449 2054 1 5 . 1 1 59 59 SER HA H 59 3.967 3.967 4.297 -0.330 19449 2055 1 5 . 1 1 59 59 SER C C 59 175.721 175.721 175.743 -0.022 19449 2056 1 5 . 1 1 59 59 SER CA C 59 62.464 62.464 61.014 1.450 19449 2057 1 5 . 1 1 59 59 SER CB C 59 63.058 63.058 62.977 0.081 19449 2058 1 5 . 1 1 59 59 SER H H 59 7.559 7.559 7.469 0.090 19449 2059 1 5 . 1 1 60 60 GLU N N 60 118.774 118.774 120.759 -1.985 19449 2060 1 5 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.249 -0.100 19449 2061 1 5 . 1 1 60 60 GLU C C 60 177.223 177.223 177.724 -0.501 19449 2062 1 5 . 1 1 60 60 GLU CA C 60 58.231 58.231 58.125 0.106 19449 2063 1 5 . 1 1 60 60 GLU CB C 60 29.811 29.811 30.291 -0.480 19449 2064 1 5 . 1 1 60 60 GLU H H 60 8.491 8.491 7.876 0.615 19449 2065 1 5 . 1 1 61 61 ILE N N 61 112.097 112.097 117.186 -5.089 19449 2066 1 5 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.053 0.207 19449 2067 1 5 . 1 1 61 61 ILE C C 61 177.352 177.352 176.302 1.050 19449 2068 1 5 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.373 0.061 19449 2069 1 5 . 1 1 61 61 ILE CB C 61 39.900 39.900 37.909 1.991 19449 2070 1 5 . 1 1 61 61 ILE H H 61 7.582 7.582 7.748 -0.166 19449 2071 1 5 . 1 1 62 62 LEU N N 62 124.848 124.848 117.197 7.651 19449 2072 1 5 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.121 0.072 19449 2073 1 5 . 1 1 62 62 LEU C C 62 177.476 177.476 176.564 0.912 19449 2074 1 5 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.503 1.106 19449 2075 1 5 . 1 1 62 62 LEU CB C 62 41.516 41.516 39.038 2.478 19449 2076 1 5 . 1 1 62 62 LEU H H 62 8.113 8.113 7.759 0.354 19449 2077 1 5 . 1 1 63 63 ASN N N 63 117.202 117.202 115.477 1.725 19449 2078 1 5 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.581 -0.330 19449 2079 1 5 . 1 1 63 63 ASN C C 63 174.911 174.911 174.240 0.671 19449 2080 1 5 . 1 1 63 63 ASN CA C 63 55.685 55.685 52.431 3.253 19449 2081 1 5 . 1 1 63 63 ASN CB C 63 37.948 37.948 38.686 -0.738 19449 2082 1 5 . 1 1 63 63 ASN H H 63 8.507 8.507 8.209 0.298 19449 2083 1 5 . 1 1 64 64 LYS N N 64 118.109 118.109 118.957 -0.848 19449 2084 1 5 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.420 -0.155 19449 2085 1 5 . 1 1 64 64 LYS C C 64 175.964 175.964 174.982 0.982 19449 2086 1 5 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.700 1.892 19449 2087 1 5 . 1 1 64 64 LYS CB C 64 33.841 33.841 35.284 -1.443 19449 2088 1 5 . 1 1 64 64 LYS H H 64 7.691 7.691 7.916 -0.225 19449 2089 1 5 . 1 1 65 65 LYS N N 65 116.060 116.060 120.730 -4.670 19449 2090 1 5 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.629 -0.300 19449 2091 1 5 . 1 1 65 65 LYS C C 65 174.912 174.912 176.243 -1.331 19449 2092 1 5 . 1 1 65 65 LYS CA C 65 56.422 56.422 55.354 1.068 19449 2093 1 5 . 1 1 65 65 LYS CB C 65 34.292 34.292 33.409 0.883 19449 2094 1 5 . 1 1 65 65 LYS H H 65 7.805 7.805 8.187 -0.382 19449 2095 1 5 . 1 1 66 66 LEU N N 66 118.796 118.796 123.755 -4.959 19449 2096 1 5 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.259 0.224 19449 2097 1 5 . 1 1 66 66 LEU CA C 66 54.089 54.089 55.974 -1.885 19449 2098 1 5 . 1 1 66 66 LEU CB C 66 43.732 43.732 41.214 2.518 19449 2099 1 5 . 1 1 66 66 LEU H H 66 7.386 7.386 8.451 -1.065 19449 2100 1 5 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.886 -0.355 19449 2101 1 5 . 1 1 67 67 HIS CA C 67 57.560 57.560 55.219 2.341 19449 2102 1 5 . 1 1 67 67 HIS CB C 67 29.560 29.560 33.273 -3.713 19449 2103 1 5 . 1 1 68 68 SER N N 68 113.247 113.247 116.695 -3.448 19449 2104 1 5 . 1 1 68 68 SER HA H 68 4.521 4.521 4.808 -0.287 19449 2105 1 5 . 1 1 68 68 SER C C 68 172.449 172.449 173.529 -1.080 19449 2106 1 5 . 1 1 68 68 SER CA C 68 57.887 57.887 58.155 -0.268 19449 2107 1 5 . 1 1 68 68 SER CB C 68 63.781 63.781 64.586 -0.805 19449 2108 1 5 . 1 1 68 68 SER H H 68 7.505 7.505 8.410 -0.905 19449 2109 1 5 . 1 1 69 69 ILE N N 69 122.511 122.511 118.291 4.220 19449 2110 1 5 . 1 1 69 69 ILE HA H 69 4.960 4.960 5.036 -0.076 19449 2111 1 5 . 1 1 69 69 ILE C C 69 173.796 173.796 175.162 -1.366 19449 2112 1 5 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.570 -0.316 19449 2113 1 5 . 1 1 69 69 ILE CB C 69 41.297 41.297 41.672 -0.375 19449 2114 1 5 . 1 1 69 69 ILE H H 69 8.172 8.172 8.376 -0.204 19449 2115 1 5 . 1 1 70 70 SER N N 70 122.242 122.242 114.982 7.260 19449 2116 1 5 . 1 1 70 70 SER HA H 70 4.683 4.683 4.849 -0.166 19449 2117 1 5 . 1 1 70 70 SER C C 70 173.443 173.443 174.124 -0.681 19449 2118 1 5 . 1 1 70 70 SER CA C 70 56.687 56.687 58.010 -1.323 19449 2119 1 5 . 1 1 70 70 SER CB C 70 64.027 64.027 64.311 -0.284 19449 2120 1 5 . 1 1 70 70 SER H H 70 8.428 8.428 8.263 0.165 19449 2121 1 5 . 1 1 71 71 ILE N N 71 125.615 125.615 127.860 -2.245 19449 2122 1 5 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.316 -0.147 19449 2123 1 5 . 1 1 71 71 ILE C C 71 173.769 173.769 174.668 -0.899 19449 2124 1 5 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.490 1.101 19449 2125 1 5 . 1 1 71 71 ILE CB C 71 40.978 40.978 39.012 1.966 19449 2126 1 5 . 1 1 71 71 ILE H H 71 8.615 8.615 8.359 0.256 19449 2127 1 5 . 1 1 72 72 LYS N N 72 129.141 129.141 128.887 0.254 19449 2128 1 5 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.514 0.114 19449 2129 1 5 . 1 1 72 72 LYS C C 72 174.425 174.425 175.799 -1.374 19449 2130 1 5 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.195 0.083 19449 2131 1 5 . 1 1 72 72 LYS CB C 72 35.146 35.146 34.640 0.506 19449 2132 1 5 . 1 1 72 72 LYS H H 72 8.419 8.419 8.865 -0.446 19449 2133 1 5 . 1 1 73 73 THR N N 73 116.054 116.054 117.558 -1.504 19449 2134 1 5 . 1 1 73 73 THR HA H 73 4.695 4.695 4.258 0.437 19449 2135 1 5 . 1 1 73 73 THR C C 73 174.550 174.550 173.902 0.648 19449 2136 1 5 . 1 1 73 73 THR CA C 73 58.793 58.793 61.671 -2.878 19449 2137 1 5 . 1 1 73 73 THR CB C 73 68.752 68.752 68.806 -0.054 19449 2138 1 5 . 1 1 73 73 THR H H 73 8.258 8.258 8.339 -0.081 19449 2139 1 5 . 1 1 74 74 ILE N N 74 124.787 124.787 126.728 -1.941 19449 2140 1 5 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.296 -0.065 19449 2141 1 5 . 1 1 74 74 ILE C C 74 175.033 175.033 173.926 1.107 19449 2142 1 5 . 1 1 74 74 ILE CA C 74 60.813 60.813 59.826 0.987 19449 2143 1 5 . 1 1 74 74 ILE CB C 74 40.771 40.771 42.186 -1.415 19449 2144 1 5 . 1 1 74 74 ILE H H 74 8.655 8.655 7.926 0.729 19449 2145 1 5 . 1 1 75 75 SER N N 75 121.778 121.778 118.070 3.708 19449 2146 1 5 . 1 1 75 75 SER HA H 75 4.574 4.574 5.280 -0.706 19449 2147 1 5 . 1 1 75 75 SER C C 75 173.153 173.153 175.045 -1.892 19449 2148 1 5 . 1 1 75 75 SER CA C 75 58.586 58.586 55.904 2.682 19449 2149 1 5 . 1 1 75 75 SER CB C 75 64.245 64.245 65.385 -1.140 19449 2150 1 5 . 1 1 75 75 SER H H 75 8.306 8.306 8.104 0.202 19449 2151 1 6 . 1 1 2 2 ALA N N 2 124.143 124.143 125.678 -1.535 19449 2152 1 6 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.398 0.036 19449 2153 1 6 . 1 1 2 2 ALA C C 2 177.129 177.129 177.577 -0.448 19449 2154 1 6 . 1 1 2 2 ALA CA C 2 52.125 52.125 52.675 -0.550 19449 2155 1 6 . 1 1 2 2 ALA CB C 2 20.239 20.239 19.395 0.844 19449 2156 1 6 . 1 1 2 2 ALA H H 2 7.998 7.998 8.287 -0.289 19449 2157 1 6 . 1 1 3 3 ILE N N 3 120.462 120.462 119.435 1.027 19449 2158 1 6 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.263 0.081 19449 2159 1 6 . 1 1 3 3 ILE C C 3 173.994 173.994 174.213 -0.219 19449 2160 1 6 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.363 -0.805 19449 2161 1 6 . 1 1 3 3 ILE CB C 3 39.826 39.826 39.965 -0.139 19449 2162 1 6 . 1 1 3 3 ILE H H 3 8.659 8.659 7.535 1.124 19449 2163 1 6 . 1 1 4 4 SER N N 4 122.216 122.216 120.964 1.252 19449 2164 1 6 . 1 1 4 4 SER HA H 4 4.532 4.532 4.396 0.136 19449 2165 1 6 . 1 1 4 4 SER C C 4 174.562 174.562 175.917 -1.355 19449 2166 1 6 . 1 1 4 4 SER CA C 4 57.162 57.162 58.926 -1.764 19449 2167 1 6 . 1 1 4 4 SER CB C 4 65.966 65.966 63.974 1.992 19449 2168 1 6 . 1 1 4 4 SER H H 4 8.376 8.376 8.288 0.088 19449 2169 1 6 . 1 1 5 5 ALA N N 5 124.531 124.531 128.245 -3.714 19449 2170 1 6 . 1 1 5 5 ALA HA H 5 3.525 3.525 4.033 -0.508 19449 2171 1 6 . 1 1 5 5 ALA C C 5 179.834 179.834 179.218 0.616 19449 2172 1 6 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.524 0.992 19449 2173 1 6 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.823 -0.773 19449 2174 1 6 . 1 1 5 5 ALA H H 5 8.986 8.986 8.730 0.256 19449 2175 1 6 . 1 1 6 6 GLU N N 6 117.333 117.333 116.302 1.031 19449 2176 1 6 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.064 -0.142 19449 2177 1 6 . 1 1 6 6 GLU C C 6 179.125 179.125 177.655 1.470 19449 2178 1 6 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.340 1.405 19449 2179 1 6 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.801 0.469 19449 2180 1 6 . 1 1 6 6 GLU H H 6 8.526 8.526 8.613 -0.087 19449 2181 1 6 . 1 1 7 7 GLU N N 7 120.933 120.933 118.481 2.452 19449 2182 1 6 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.279 -0.405 19449 2183 1 6 . 1 1 7 7 GLU C C 7 178.705 178.705 178.121 0.584 19449 2184 1 6 . 1 1 7 7 GLU CA C 7 59.016 59.016 56.585 2.431 19449 2185 1 6 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.600 0.009 19449 2186 1 6 . 1 1 7 7 GLU H H 7 7.696 7.696 8.058 -0.362 19449 2187 1 6 . 1 1 8 8 LEU N N 8 120.345 120.345 120.435 -0.090 19449 2188 1 6 . 1 1 8 8 LEU HA H 8 3.728 3.728 3.971 -0.243 19449 2189 1 6 . 1 1 8 8 LEU C C 8 177.984 177.984 177.643 0.341 19449 2190 1 6 . 1 1 8 8 LEU CA C 8 57.938 57.938 58.015 -0.077 19449 2191 1 6 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.814 -0.071 19449 2192 1 6 . 1 1 8 8 LEU H H 8 8.092 8.092 7.389 0.703 19449 2193 1 6 . 1 1 9 9 GLU N N 9 118.656 118.656 116.908 1.748 19449 2194 1 6 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.989 -0.461 19449 2195 1 6 . 1 1 9 9 GLU C C 9 177.280 177.280 178.523 -1.243 19449 2196 1 6 . 1 1 9 9 GLU CA C 9 60.629 60.629 59.261 1.368 19449 2197 1 6 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.637 0.506 19449 2198 1 6 . 1 1 9 9 GLU H H 9 8.104 8.104 8.292 -0.188 19449 2199 1 6 . 1 1 10 10 LYS N N 10 117.661 117.661 119.562 -1.901 19449 2200 1 6 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.050 -0.277 19449 2201 1 6 . 1 1 10 10 LYS C C 10 179.895 179.895 178.798 1.097 19449 2202 1 6 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.837 1.084 19449 2203 1 6 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.704 0.683 19449 2204 1 6 . 1 1 10 10 LYS H H 10 7.565 7.565 7.497 0.068 19449 2205 1 6 . 1 1 11 11 ILE N N 11 119.359 119.359 118.801 0.558 19449 2206 1 6 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.691 -0.075 19449 2207 1 6 . 1 1 11 11 ILE C C 11 179.908 179.908 177.823 2.085 19449 2208 1 6 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.976 0.004 19449 2209 1 6 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.223 0.192 19449 2210 1 6 . 1 1 11 11 ILE H H 11 7.894 7.894 7.204 0.690 19449 2211 1 6 . 1 1 12 12 LEU N N 12 121.478 121.478 120.053 1.425 19449 2212 1 6 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.923 0.050 19449 2213 1 6 . 1 1 12 12 LEU C C 12 179.346 179.346 178.660 0.686 19449 2214 1 6 . 1 1 12 12 LEU CA C 12 58.306 58.306 57.351 0.955 19449 2215 1 6 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.443 1.411 19449 2216 1 6 . 1 1 12 12 LEU H H 12 8.180 8.180 7.603 0.577 19449 2217 1 6 . 1 1 13 13 LYS N N 13 119.072 119.072 118.751 0.321 19449 2218 1 6 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.308 -0.517 19449 2219 1 6 . 1 1 13 13 LYS C C 13 177.763 177.763 178.077 -0.314 19449 2220 1 6 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.309 -0.414 19449 2221 1 6 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.047 0.033 19449 2222 1 6 . 1 1 13 13 LYS H H 13 8.648 8.648 8.157 0.491 19449 2223 1 6 . 1 1 14 14 LYS N N 14 116.972 116.972 118.316 -1.344 19449 2224 1 6 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.049 -0.086 19449 2225 1 6 . 1 1 14 14 LYS C C 14 178.525 178.525 178.039 0.486 19449 2226 1 6 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.608 0.572 19449 2227 1 6 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.134 -0.032 19449 2228 1 6 . 1 1 14 14 LYS H H 14 7.225 7.225 7.542 -0.317 19449 2229 1 6 . 1 1 15 15 SER N N 15 111.938 111.938 111.722 0.216 19449 2230 1 6 . 1 1 15 15 SER HA H 15 4.206 4.206 4.383 -0.177 19449 2231 1 6 . 1 1 15 15 SER C C 15 172.812 172.812 174.530 -1.718 19449 2232 1 6 . 1 1 15 15 SER CA C 15 60.745 60.745 59.223 1.522 19449 2233 1 6 . 1 1 15 15 SER CB C 15 64.381 64.381 64.583 -0.202 19449 2234 1 6 . 1 1 15 15 SER H H 15 6.913 6.913 7.735 -0.822 19449 2235 1 6 . 1 1 16 16 PHE N N 16 118.448 118.448 120.310 -1.862 19449 2236 1 6 . 1 1 16 16 PHE HA H 16 4.856 4.856 5.025 -0.169 19449 2237 1 6 . 1 1 16 16 PHE CA C 16 54.828 54.828 53.730 1.098 19449 2238 1 6 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.043 -0.474 19449 2239 1 6 . 1 1 16 16 PHE H H 16 8.222 8.222 7.862 0.360 19449 2240 1 6 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.403 0.170 19449 2241 1 6 . 1 1 17 17 PRO C C 17 178.807 178.807 177.863 0.944 19449 2242 1 6 . 1 1 17 17 PRO CA C 17 65.800 65.800 64.986 0.814 19449 2243 1 6 . 1 1 17 17 PRO CB C 17 32.018 32.018 32.054 -0.036 19449 2244 1 6 . 1 1 18 18 SER N N 18 116.179 116.179 112.804 3.375 19449 2245 1 6 . 1 1 18 18 SER HA H 18 4.716 4.716 4.545 0.171 19449 2246 1 6 . 1 1 18 18 SER C C 18 174.085 174.085 173.916 0.169 19449 2247 1 6 . 1 1 18 18 SER CA C 18 57.161 57.161 56.563 0.598 19449 2248 1 6 . 1 1 18 18 SER CB C 18 63.144 63.144 62.708 0.436 19449 2249 1 6 . 1 1 18 18 SER H H 18 9.427 9.427 8.444 0.983 19449 2250 1 6 . 1 1 19 19 SER N N 19 116.639 116.639 116.919 -0.280 19449 2251 1 6 . 1 1 19 19 SER HA H 19 4.750 4.750 5.127 -0.377 19449 2252 1 6 . 1 1 19 19 SER C C 19 175.392 175.392 173.957 1.435 19449 2253 1 6 . 1 1 19 19 SER CA C 19 58.398 58.398 57.559 0.839 19449 2254 1 6 . 1 1 19 19 SER CB C 19 66.246 66.246 65.224 1.022 19449 2255 1 6 . 1 1 19 19 SER H H 19 7.303 7.303 7.448 -0.145 19449 2256 1 6 . 1 1 20 20 VAL N N 20 119.200 119.200 125.655 -6.455 19449 2257 1 6 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.277 -0.126 19449 2258 1 6 . 1 1 20 20 VAL C C 20 175.866 175.866 174.824 1.042 19449 2259 1 6 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.291 1.342 19449 2260 1 6 . 1 1 20 20 VAL CB C 20 33.213 33.213 31.254 1.959 19449 2261 1 6 . 1 1 20 20 VAL H H 20 8.354 8.354 8.380 -0.026 19449 2262 1 6 . 1 1 21 21 ILE N N 21 128.342 128.342 129.639 -1.297 19449 2263 1 6 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.156 0.529 19449 2264 1 6 . 1 1 21 21 ILE C C 21 174.757 174.757 175.707 -0.950 19449 2265 1 6 . 1 1 21 21 ILE CA C 21 60.521 60.521 61.425 -0.904 19449 2266 1 6 . 1 1 21 21 ILE CB C 21 41.455 41.455 38.078 3.377 19449 2267 1 6 . 1 1 21 21 ILE H H 21 8.668 8.668 8.192 0.476 19449 2268 1 6 . 1 1 22 22 LYS N N 22 128.866 128.866 128.559 0.307 19449 2269 1 6 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.701 -0.158 19449 2270 1 6 . 1 1 22 22 LYS C C 22 174.900 174.900 174.701 0.199 19449 2271 1 6 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.300 1.261 19449 2272 1 6 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.041 -0.551 19449 2273 1 6 . 1 1 22 22 LYS H H 22 9.004 9.004 7.995 1.009 19449 2274 1 6 . 1 1 23 23 ILE N N 23 127.570 127.570 125.226 2.344 19449 2275 1 6 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.533 0.284 19449 2276 1 6 . 1 1 23 23 ILE C C 23 175.206 175.206 176.385 -1.179 19449 2277 1 6 . 1 1 23 23 ILE CA C 23 60.258 60.258 60.831 -0.574 19449 2278 1 6 . 1 1 23 23 ILE CB C 23 40.379 40.379 39.410 0.969 19449 2279 1 6 . 1 1 23 23 ILE H H 23 8.869 8.869 8.512 0.357 19449 2280 1 6 . 1 1 24 24 THR N N 24 122.480 122.480 122.286 0.194 19449 2281 1 6 . 1 1 24 24 THR HA H 24 4.532 4.532 4.675 -0.143 19449 2282 1 6 . 1 1 24 24 THR C C 24 173.003 173.003 172.849 0.154 19449 2283 1 6 . 1 1 24 24 THR CA C 24 61.182 61.182 61.381 -0.199 19449 2284 1 6 . 1 1 24 24 THR CB C 24 71.402 71.402 71.364 0.038 19449 2285 1 6 . 1 1 24 24 THR H H 24 8.856 8.856 8.286 0.570 19449 2286 1 6 . 1 1 25 25 ASP N N 25 126.508 126.508 124.555 1.953 19449 2287 1 6 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.723 -0.026 19449 2288 1 6 . 1 1 25 25 ASP C C 25 176.417 176.417 175.275 1.142 19449 2289 1 6 . 1 1 25 25 ASP CA C 25 53.225 53.225 54.005 -0.780 19449 2290 1 6 . 1 1 25 25 ASP CB C 25 40.744 40.744 41.127 -0.383 19449 2291 1 6 . 1 1 25 25 ASP H H 25 8.984 8.984 8.572 0.412 19449 2292 1 6 . 1 1 26 26 LEU N N 26 125.128 125.128 125.031 0.097 19449 2293 1 6 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.434 -0.344 19449 2294 1 6 . 1 1 26 26 LEU C C 26 177.615 177.615 177.735 -0.120 19449 2295 1 6 . 1 1 26 26 LEU CA C 26 56.409 56.409 56.529 -0.120 19449 2296 1 6 . 1 1 26 26 LEU CB C 26 42.808 42.808 43.197 -0.389 19449 2297 1 6 . 1 1 26 26 LEU H H 26 8.493 8.493 8.984 -0.491 19449 2298 1 6 . 1 1 27 27 VAL N N 27 116.931 116.931 113.594 3.337 19449 2299 1 6 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.237 -0.225 19449 2300 1 6 . 1 1 27 27 VAL C C 27 176.064 176.064 177.346 -1.282 19449 2301 1 6 . 1 1 27 27 VAL CA C 27 62.772 62.772 62.158 0.614 19449 2302 1 6 . 1 1 27 27 VAL CB C 27 34.397 34.397 33.365 1.032 19449 2303 1 6 . 1 1 27 27 VAL H H 27 8.111 8.111 7.916 0.195 19449 2304 1 6 . 1 1 28 28 GLY N N 28 111.338 111.338 110.914 0.424 19449 2305 1 6 . 1 1 28 28 GLY C C 28 174.054 174.054 175.140 -1.086 19449 2306 1 6 . 1 1 28 28 GLY CA C 28 45.634 45.634 46.438 -0.804 19449 2307 1 6 . 1 1 28 28 GLY H H 28 8.947 8.947 8.691 0.256 19449 2308 1 6 . 1 1 29 29 ASP N N 29 119.343 119.343 122.851 -3.508 19449 2309 1 6 . 1 1 29 29 ASP C C 29 175.806 175.806 176.902 -1.096 19449 2310 1 6 . 1 1 29 29 ASP CA C 29 52.520 52.520 55.527 -3.007 19449 2311 1 6 . 1 1 29 29 ASP CB C 29 41.120 41.120 40.492 0.628 19449 2312 1 6 . 1 1 29 29 ASP H H 29 7.802 7.802 8.262 -0.460 19449 2313 1 6 . 1 1 30 30 GLN N N 30 116.835 116.835 119.154 -2.319 19449 2314 1 6 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.277 -0.696 19449 2315 1 6 . 1 1 30 30 GLN C C 30 174.351 174.351 176.344 -1.993 19449 2316 1 6 . 1 1 30 30 GLN CA C 30 57.299 57.299 56.125 1.174 19449 2317 1 6 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.526 -2.176 19449 2318 1 6 . 1 1 30 30 GLN H H 30 9.284 9.284 7.975 1.309 19449 2319 1 6 . 1 1 31 31 ASP N N 31 114.773 114.773 122.945 -8.172 19449 2320 1 6 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.440 0.317 19449 2321 1 6 . 1 1 31 31 ASP C C 31 174.994 174.994 174.785 0.209 19449 2322 1 6 . 1 1 31 31 ASP CA C 31 53.587 53.587 54.345 -0.758 19449 2323 1 6 . 1 1 31 31 ASP CB C 31 42.674 42.674 38.751 3.923 19449 2324 1 6 . 1 1 31 31 ASP H H 31 7.762 7.762 8.593 -0.831 19449 2325 1 6 . 1 1 32 32 HIS N N 32 116.715 116.715 120.510 -3.795 19449 2326 1 6 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.723 0.096 19449 2327 1 6 . 1 1 32 32 HIS CA C 32 55.006 55.006 55.389 -0.383 19449 2328 1 6 . 1 1 32 32 HIS CB C 32 30.246 30.246 31.813 -1.567 19449 2329 1 6 . 1 1 32 32 HIS H H 32 7.364 7.364 7.718 -0.354 19449 2330 1 6 . 1 1 33 33 TYR N N 33 118.888 118.888 124.901 -6.013 19449 2331 1 6 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.537 0.744 19449 2332 1 6 . 1 1 33 33 TYR C C 33 175.344 175.344 174.076 1.268 19449 2333 1 6 . 1 1 33 33 TYR CA C 33 57.486 57.486 56.893 0.593 19449 2334 1 6 . 1 1 33 33 TYR CB C 33 42.046 42.046 40.090 1.956 19449 2335 1 6 . 1 1 33 33 TYR H H 33 7.979 7.979 8.307 -0.328 19449 2336 1 6 . 1 1 34 34 ALA N N 34 124.471 124.471 127.182 -2.711 19449 2337 1 6 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.672 0.307 19449 2338 1 6 . 1 1 34 34 ALA C C 34 175.399 175.399 175.388 0.011 19449 2339 1 6 . 1 1 34 34 ALA CA C 34 51.063 51.063 51.048 0.015 19449 2340 1 6 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.397 1.024 19449 2341 1 6 . 1 1 34 34 ALA H H 34 9.214 9.214 8.630 0.584 19449 2342 1 6 . 1 1 35 35 LEU N N 35 124.614 124.614 127.813 -3.199 19449 2343 1 6 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.718 0.241 19449 2344 1 6 . 1 1 35 35 LEU C C 35 174.694 174.694 174.874 -0.180 19449 2345 1 6 . 1 1 35 35 LEU CA C 35 53.283 53.283 53.915 -0.632 19449 2346 1 6 . 1 1 35 35 LEU CB C 35 45.575 45.575 43.979 1.596 19449 2347 1 6 . 1 1 35 35 LEU H H 35 8.855 8.855 8.857 -0.002 19449 2348 1 6 . 1 1 36 36 GLU N N 36 127.949 127.949 127.000 0.949 19449 2349 1 6 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.835 0.399 19449 2350 1 6 . 1 1 36 36 GLU C C 36 174.441 174.441 174.827 -0.386 19449 2351 1 6 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.255 0.542 19449 2352 1 6 . 1 1 36 36 GLU CB C 36 31.608 31.608 30.833 0.775 19449 2353 1 6 . 1 1 36 36 GLU H H 36 9.085 9.085 8.365 0.720 19449 2354 1 6 . 1 1 37 37 ILE N N 37 123.414 123.414 125.926 -2.512 19449 2355 1 6 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.817 0.378 19449 2356 1 6 . 1 1 37 37 ILE C C 37 172.644 172.644 173.956 -1.312 19449 2357 1 6 . 1 1 37 37 ILE CA C 37 58.298 58.298 59.605 -1.307 19449 2358 1 6 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.426 0.225 19449 2359 1 6 . 1 1 37 37 ILE H H 37 8.709 8.709 7.691 1.018 19449 2360 1 6 . 1 1 38 38 SER N N 38 123.499 123.499 123.056 0.443 19449 2361 1 6 . 1 1 38 38 SER HA H 38 5.989 5.989 5.565 0.424 19449 2362 1 6 . 1 1 38 38 SER C C 38 173.645 173.645 172.775 0.870 19449 2363 1 6 . 1 1 38 38 SER CA C 38 55.428 55.428 57.169 -1.740 19449 2364 1 6 . 1 1 38 38 SER CB C 38 64.017 64.017 65.772 -1.755 19449 2365 1 6 . 1 1 38 38 SER H H 38 8.843 8.843 8.670 0.173 19449 2366 1 6 . 1 1 39 39 ASP N N 39 122.449 122.449 124.292 -1.843 19449 2367 1 6 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.955 -0.517 19449 2368 1 6 . 1 1 39 39 ASP C C 39 175.131 175.131 174.075 1.056 19449 2369 1 6 . 1 1 39 39 ASP CA C 39 55.009 55.009 53.559 1.450 19449 2370 1 6 . 1 1 39 39 ASP CB C 39 46.600 46.600 45.096 1.504 19449 2371 1 6 . 1 1 39 39 ASP H H 39 8.211 8.211 8.226 -0.015 19449 2372 1 6 . 1 1 40 40 ALA N N 40 129.616 129.616 121.463 8.153 19449 2373 1 6 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.490 -0.121 19449 2374 1 6 . 1 1 40 40 ALA C C 40 180.467 180.467 176.899 3.568 19449 2375 1 6 . 1 1 40 40 ALA CA C 40 53.868 53.868 52.803 1.065 19449 2376 1 6 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.374 -0.002 19449 2377 1 6 . 1 1 40 40 ALA H H 40 8.730 8.730 8.579 0.151 19449 2378 1 6 . 1 1 41 41 GLN N N 41 119.804 119.804 117.174 2.630 19449 2379 1 6 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.202 -0.232 19449 2380 1 6 . 1 1 41 41 GLN C C 41 176.767 176.767 175.808 0.959 19449 2381 1 6 . 1 1 41 41 GLN CA C 41 58.257 58.257 55.434 2.823 19449 2382 1 6 . 1 1 41 41 GLN CB C 41 29.807 29.807 28.920 0.887 19449 2383 1 6 . 1 1 41 41 GLN H H 41 10.188 10.188 7.799 2.389 19449 2384 1 6 . 1 1 42 42 PHE N N 42 114.111 114.111 119.849 -5.738 19449 2385 1 6 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.624 -0.065 19449 2386 1 6 . 1 1 42 42 PHE C C 42 176.183 176.183 175.082 1.101 19449 2387 1 6 . 1 1 42 42 PHE CA C 42 55.829 55.829 57.293 -1.464 19449 2388 1 6 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.108 -0.496 19449 2389 1 6 . 1 1 42 42 PHE H H 42 7.010 7.010 7.454 -0.444 19449 2390 1 6 . 1 1 43 43 ASN N N 43 118.260 118.260 116.458 1.802 19449 2391 1 6 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.674 -0.382 19449 2392 1 6 . 1 1 43 43 ASN C C 43 176.455 176.455 176.870 -0.415 19449 2393 1 6 . 1 1 43 43 ASN CA C 43 55.282 55.282 54.120 1.162 19449 2394 1 6 . 1 1 43 43 ASN CB C 43 37.930 37.930 38.466 -0.536 19449 2395 1 6 . 1 1 43 43 ASN H H 43 7.528 7.528 8.011 -0.483 19449 2396 1 6 . 1 1 44 44 GLY N N 44 111.528 111.528 105.851 5.677 19449 2397 1 6 . 1 1 44 44 GLY C C 44 173.888 173.888 174.893 -1.005 19449 2398 1 6 . 1 1 44 44 GLY CA C 44 45.606 45.606 44.526 1.080 19449 2399 1 6 . 1 1 44 44 GLY H H 44 8.697 8.697 7.801 0.896 19449 2400 1 6 . 1 1 45 45 LEU N N 45 120.387 120.387 120.746 -0.359 19449 2401 1 6 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.305 0.444 19449 2402 1 6 . 1 1 45 45 LEU C C 45 178.175 178.175 177.063 1.112 19449 2403 1 6 . 1 1 45 45 LEU CA C 45 53.328 53.328 55.938 -2.610 19449 2404 1 6 . 1 1 45 45 LEU CB C 45 44.992 44.992 42.418 2.574 19449 2405 1 6 . 1 1 45 45 LEU H H 45 7.565 7.565 7.961 -0.396 19449 2406 1 6 . 1 1 46 46 SER N N 46 118.894 118.894 114.186 4.708 19449 2407 1 6 . 1 1 46 46 SER HA H 46 4.313 4.313 4.586 -0.273 19449 2408 1 6 . 1 1 46 46 SER C C 46 174.896 174.896 175.282 -0.386 19449 2409 1 6 . 1 1 46 46 SER CA C 46 57.022 57.022 56.789 0.233 19449 2410 1 6 . 1 1 46 46 SER CB C 46 64.252 64.252 64.648 -0.396 19449 2411 1 6 . 1 1 46 46 SER H H 46 8.896 8.896 8.167 0.729 19449 2412 1 6 . 1 1 47 47 LEU N N 47 124.460 124.460 123.435 1.025 19449 2413 1 6 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.354 -0.731 19449 2414 1 6 . 1 1 47 47 LEU C C 47 179.220 179.220 178.980 0.240 19449 2415 1 6 . 1 1 47 47 LEU CA C 47 59.132 59.132 58.224 0.908 19449 2416 1 6 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.361 0.328 19449 2417 1 6 . 1 1 47 47 LEU H H 47 8.720 8.720 8.903 -0.183 19449 2418 1 6 . 1 1 48 48 ILE N N 48 115.654 115.654 119.311 -3.657 19449 2419 1 6 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.821 -0.191 19449 2420 1 6 . 1 1 48 48 ILE C C 48 178.433 178.433 177.728 0.705 19449 2421 1 6 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.519 0.681 19449 2422 1 6 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.289 1.610 19449 2423 1 6 . 1 1 48 48 ILE H H 48 7.920 7.920 7.592 0.328 19449 2424 1 6 . 1 1 49 49 ASN N N 49 120.529 120.529 118.876 1.653 19449 2425 1 6 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.458 0.193 19449 2426 1 6 . 1 1 49 49 ASN C C 49 178.478 178.478 178.053 0.425 19449 2427 1 6 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.333 -0.637 19449 2428 1 6 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.504 0.390 19449 2429 1 6 . 1 1 49 49 ASN H H 49 7.449 7.449 8.176 -0.727 19449 2430 1 6 . 1 1 50 50 GLN N N 50 122.483 122.483 119.597 2.886 19449 2431 1 6 . 1 1 50 50 GLN HA H 50 3.859 3.859 3.924 -0.065 19449 2432 1 6 . 1 1 50 50 GLN C C 50 177.657 177.657 178.586 -0.929 19449 2433 1 6 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.479 0.167 19449 2434 1 6 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.528 -0.607 19449 2435 1 6 . 1 1 50 50 GLN H H 50 8.664 8.664 8.804 -0.140 19449 2436 1 6 . 1 1 51 51 HIS N N 51 116.297 116.297 117.446 -1.149 19449 2437 1 6 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.350 -0.479 19449 2438 1 6 . 1 1 51 51 HIS CA C 51 59.635 59.635 59.129 0.506 19449 2439 1 6 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.071 0.040 19449 2440 1 6 . 1 1 51 51 HIS H H 51 8.206 8.206 7.690 0.516 19449 2441 1 6 . 1 1 52 52 LYS N N 52 120.443 120.443 120.639 -0.196 19449 2442 1 6 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.172 -0.318 19449 2443 1 6 . 1 1 52 52 LYS C C 52 178.162 178.162 178.709 -0.547 19449 2444 1 6 . 1 1 52 52 LYS CA C 52 60.085 60.085 59.035 1.050 19449 2445 1 6 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.586 0.066 19449 2446 1 6 . 1 1 52 52 LYS H H 52 8.282 8.282 7.786 0.496 19449 2447 1 6 . 1 1 53 53 LEU N N 53 117.663 117.663 120.282 -2.619 19449 2448 1 6 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.071 0.050 19449 2449 1 6 . 1 1 53 53 LEU C C 53 180.570 180.570 178.998 1.572 19449 2450 1 6 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.372 -0.184 19449 2451 1 6 . 1 1 53 53 LEU CB C 53 42.854 42.854 41.928 0.926 19449 2452 1 6 . 1 1 53 53 LEU H H 53 7.528 7.528 8.775 -1.247 19449 2453 1 6 . 1 1 54 54 VAL N N 54 118.963 118.963 114.928 4.035 19449 2454 1 6 . 1 1 54 54 VAL HA H 54 3.650 3.650 4.048 -0.398 19449 2455 1 6 . 1 1 54 54 VAL C C 54 177.185 177.185 177.360 -0.175 19449 2456 1 6 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.087 0.591 19449 2457 1 6 . 1 1 54 54 VAL CB C 54 31.630 31.630 30.731 0.899 19449 2458 1 6 . 1 1 54 54 VAL H H 54 7.286 7.286 7.729 -0.443 19449 2459 1 6 . 1 1 55 55 LYS N N 55 119.061 119.061 118.283 0.778 19449 2460 1 6 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.234 -0.649 19449 2461 1 6 . 1 1 55 55 LYS C C 55 179.976 179.976 178.416 1.560 19449 2462 1 6 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.168 2.698 19449 2463 1 6 . 1 1 55 55 LYS CB C 55 31.743 31.743 31.949 -0.206 19449 2464 1 6 . 1 1 55 55 LYS H H 55 8.539 8.539 7.530 1.009 19449 2465 1 6 . 1 1 56 56 ASN N N 56 117.807 117.807 117.826 -0.019 19449 2466 1 6 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.709 -0.361 19449 2467 1 6 . 1 1 56 56 ASN C C 56 178.363 178.363 177.564 0.799 19449 2468 1 6 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.352 0.573 19449 2469 1 6 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.583 -0.940 19449 2470 1 6 . 1 1 56 56 ASN H H 56 8.640 8.640 8.185 0.455 19449 2471 1 6 . 1 1 57 57 ALA N N 57 122.142 122.142 122.775 -0.633 19449 2472 1 6 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.049 0.104 19449 2473 1 6 . 1 1 57 57 ALA C C 57 178.976 178.976 177.248 1.728 19449 2474 1 6 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.331 0.173 19449 2475 1 6 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.714 0.289 19449 2476 1 6 . 1 1 57 57 ALA H H 57 7.436 7.436 8.391 -0.955 19449 2477 1 6 . 1 1 58 58 LEU N N 58 115.109 115.109 109.299 5.810 19449 2478 1 6 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.647 -0.303 19449 2479 1 6 . 1 1 58 58 LEU C C 58 177.792 177.792 176.672 1.120 19449 2480 1 6 . 1 1 58 58 LEU CA C 58 53.791 53.791 54.504 -0.713 19449 2481 1 6 . 1 1 58 58 LEU CB C 58 42.566 42.566 41.870 0.696 19449 2482 1 6 . 1 1 58 58 LEU H H 58 7.458 7.458 7.093 0.365 19449 2483 1 6 . 1 1 59 59 SER N N 59 117.442 117.442 116.334 1.108 19449 2484 1 6 . 1 1 59 59 SER HA H 59 3.967 3.967 4.353 -0.386 19449 2485 1 6 . 1 1 59 59 SER C C 59 175.721 175.721 175.987 -0.266 19449 2486 1 6 . 1 1 59 59 SER CA C 59 62.464 62.464 60.513 1.951 19449 2487 1 6 . 1 1 59 59 SER CB C 59 63.058 63.058 63.296 -0.238 19449 2488 1 6 . 1 1 59 59 SER H H 59 7.559 7.559 8.027 -0.468 19449 2489 1 6 . 1 1 60 60 GLU N N 60 118.774 118.774 120.425 -1.651 19449 2490 1 6 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.258 -0.109 19449 2491 1 6 . 1 1 60 60 GLU C C 60 177.223 177.223 177.886 -0.663 19449 2492 1 6 . 1 1 60 60 GLU CA C 60 58.231 58.231 58.421 -0.190 19449 2493 1 6 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.569 0.242 19449 2494 1 6 . 1 1 60 60 GLU H H 60 8.491 8.491 7.915 0.576 19449 2495 1 6 . 1 1 61 61 ILE N N 61 112.097 112.097 117.731 -5.634 19449 2496 1 6 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.054 0.206 19449 2497 1 6 . 1 1 61 61 ILE C C 61 177.352 177.352 175.510 1.842 19449 2498 1 6 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.667 -0.233 19449 2499 1 6 . 1 1 61 61 ILE CB C 61 39.900 39.900 38.374 1.526 19449 2500 1 6 . 1 1 61 61 ILE H H 61 7.582 7.582 7.683 -0.101 19449 2501 1 6 . 1 1 62 62 LEU N N 62 124.848 124.848 116.029 8.819 19449 2502 1 6 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.005 0.188 19449 2503 1 6 . 1 1 62 62 LEU C C 62 177.476 177.476 177.311 0.165 19449 2504 1 6 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.241 1.368 19449 2505 1 6 . 1 1 62 62 LEU CB C 62 41.516 41.516 39.073 2.443 19449 2506 1 6 . 1 1 62 62 LEU H H 62 8.113 8.113 8.104 0.009 19449 2507 1 6 . 1 1 63 63 ASN N N 63 117.202 117.202 116.899 0.303 19449 2508 1 6 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.296 -0.045 19449 2509 1 6 . 1 1 63 63 ASN C C 63 174.911 174.911 176.136 -1.225 19449 2510 1 6 . 1 1 63 63 ASN CA C 63 55.685 55.685 55.275 0.410 19449 2511 1 6 . 1 1 63 63 ASN CB C 63 37.948 37.948 38.508 -0.560 19449 2512 1 6 . 1 1 63 63 ASN H H 63 8.507 8.507 8.442 0.065 19449 2513 1 6 . 1 1 64 64 LYS N N 64 118.109 118.109 118.438 -0.329 19449 2514 1 6 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.159 0.106 19449 2515 1 6 . 1 1 64 64 LYS C C 64 175.964 175.964 176.098 -0.134 19449 2516 1 6 . 1 1 64 64 LYS CA C 64 57.592 57.592 56.981 0.611 19449 2517 1 6 . 1 1 64 64 LYS CB C 64 33.841 33.841 32.857 0.984 19449 2518 1 6 . 1 1 64 64 LYS H H 64 7.691 7.691 8.111 -0.420 19449 2519 1 6 . 1 1 65 65 LYS N N 65 116.060 116.060 120.519 -4.459 19449 2520 1 6 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.369 -0.040 19449 2521 1 6 . 1 1 65 65 LYS C C 65 174.912 174.912 176.495 -1.583 19449 2522 1 6 . 1 1 65 65 LYS CA C 65 56.422 56.422 56.321 0.101 19449 2523 1 6 . 1 1 65 65 LYS CB C 65 34.292 34.292 33.055 1.237 19449 2524 1 6 . 1 1 65 65 LYS H H 65 7.805 7.805 8.178 -0.373 19449 2525 1 6 . 1 1 66 66 LEU N N 66 118.796 118.796 121.557 -2.761 19449 2526 1 6 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.233 0.250 19449 2527 1 6 . 1 1 66 66 LEU CA C 66 54.089 54.089 56.120 -2.031 19449 2528 1 6 . 1 1 66 66 LEU CB C 66 43.732 43.732 41.932 1.800 19449 2529 1 6 . 1 1 66 66 LEU H H 66 7.386 7.386 7.802 -0.416 19449 2530 1 6 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.623 -0.092 19449 2531 1 6 . 1 1 67 67 HIS CA C 67 57.560 57.560 57.478 0.082 19449 2532 1 6 . 1 1 67 67 HIS CB C 67 29.560 29.560 30.963 -1.403 19449 2533 1 6 . 1 1 68 68 SER N N 68 113.247 113.247 111.776 1.471 19449 2534 1 6 . 1 1 68 68 SER HA H 68 4.521 4.521 4.731 -0.210 19449 2535 1 6 . 1 1 68 68 SER C C 68 172.449 172.449 172.914 -0.465 19449 2536 1 6 . 1 1 68 68 SER CA C 68 57.887 57.887 57.644 0.243 19449 2537 1 6 . 1 1 68 68 SER CB C 68 63.781 63.781 64.615 -0.834 19449 2538 1 6 . 1 1 68 68 SER H H 68 7.505 7.505 8.106 -0.601 19449 2539 1 6 . 1 1 69 69 ILE N N 69 122.511 122.511 118.508 4.003 19449 2540 1 6 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.490 0.470 19449 2541 1 6 . 1 1 69 69 ILE C C 69 173.796 173.796 173.925 -0.129 19449 2542 1 6 . 1 1 69 69 ILE CA C 69 59.254 59.254 60.057 -0.803 19449 2543 1 6 . 1 1 69 69 ILE CB C 69 41.297 41.297 40.951 0.346 19449 2544 1 6 . 1 1 69 69 ILE H H 69 8.172 8.172 8.113 0.059 19449 2545 1 6 . 1 1 70 70 SER N N 70 122.242 122.242 116.214 6.028 19449 2546 1 6 . 1 1 70 70 SER HA H 70 4.683 4.683 4.702 -0.019 19449 2547 1 6 . 1 1 70 70 SER C C 70 173.443 173.443 173.948 -0.505 19449 2548 1 6 . 1 1 70 70 SER CA C 70 56.687 56.687 57.995 -1.308 19449 2549 1 6 . 1 1 70 70 SER CB C 70 64.027 64.027 63.635 0.392 19449 2550 1 6 . 1 1 70 70 SER H H 70 8.428 8.428 7.826 0.602 19449 2551 1 6 . 1 1 71 71 ILE N N 71 125.615 125.615 128.561 -2.946 19449 2552 1 6 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.475 -0.306 19449 2553 1 6 . 1 1 71 71 ILE C C 71 173.769 173.769 175.130 -1.361 19449 2554 1 6 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.047 1.544 19449 2555 1 6 . 1 1 71 71 ILE CB C 71 40.978 40.978 38.821 2.157 19449 2556 1 6 . 1 1 71 71 ILE H H 71 8.615 8.615 8.807 -0.192 19449 2557 1 6 . 1 1 72 72 LYS N N 72 129.141 129.141 129.158 -0.017 19449 2558 1 6 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.480 0.148 19449 2559 1 6 . 1 1 72 72 LYS C C 72 174.425 174.425 175.843 -1.418 19449 2560 1 6 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.404 -0.126 19449 2561 1 6 . 1 1 72 72 LYS CB C 72 35.146 35.146 34.550 0.596 19449 2562 1 6 . 1 1 72 72 LYS H H 72 8.419 8.419 8.855 -0.436 19449 2563 1 6 . 1 1 73 73 THR N N 73 116.054 116.054 117.141 -1.087 19449 2564 1 6 . 1 1 73 73 THR HA H 73 4.695 4.695 4.283 0.412 19449 2565 1 6 . 1 1 73 73 THR C C 73 174.550 174.550 173.982 0.568 19449 2566 1 6 . 1 1 73 73 THR CA C 73 58.793 58.793 61.312 -2.518 19449 2567 1 6 . 1 1 73 73 THR CB C 73 68.752 68.752 69.085 -0.334 19449 2568 1 6 . 1 1 73 73 THR H H 73 8.258 8.258 8.353 -0.095 19449 2569 1 6 . 1 1 74 74 ILE N N 74 124.787 124.787 128.303 -3.516 19449 2570 1 6 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.380 -0.149 19449 2571 1 6 . 1 1 74 74 ILE C C 74 175.033 175.033 174.684 0.349 19449 2572 1 6 . 1 1 74 74 ILE CA C 74 60.813 60.813 60.515 0.298 19449 2573 1 6 . 1 1 74 74 ILE CB C 74 40.771 40.771 40.127 0.644 19449 2574 1 6 . 1 1 74 74 ILE H H 74 8.655 8.655 8.179 0.476 19449 2575 1 6 . 1 1 75 75 SER N N 75 121.778 121.778 122.380 -0.602 19449 2576 1 6 . 1 1 75 75 SER HA H 75 4.574 4.574 5.066 -0.492 19449 2577 1 6 . 1 1 75 75 SER C C 75 173.153 173.153 174.187 -1.034 19449 2578 1 6 . 1 1 75 75 SER CA C 75 58.586 58.586 56.407 2.179 19449 2579 1 6 . 1 1 75 75 SER CB C 75 64.245 64.245 64.927 -0.682 19449 2580 1 6 . 1 1 75 75 SER H H 75 8.306 8.306 8.641 -0.335 19449 2581 1 7 . 1 1 2 2 ALA N N 2 124.143 124.143 122.338 1.805 19449 2582 1 7 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.071 0.363 19449 2583 1 7 . 1 1 2 2 ALA C C 2 177.129 177.129 175.820 1.309 19449 2584 1 7 . 1 1 2 2 ALA CA C 2 52.125 52.125 52.592 -0.466 19449 2585 1 7 . 1 1 2 2 ALA CB C 2 20.239 20.239 17.624 2.615 19449 2586 1 7 . 1 1 2 2 ALA H H 2 7.998 7.998 8.009 -0.011 19449 2587 1 7 . 1 1 3 3 ILE N N 3 120.462 120.462 119.024 1.438 19449 2588 1 7 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.234 0.110 19449 2589 1 7 . 1 1 3 3 ILE C C 3 173.994 173.994 175.722 -1.728 19449 2590 1 7 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.404 -0.846 19449 2591 1 7 . 1 1 3 3 ILE CB C 3 39.826 39.826 40.010 -0.184 19449 2592 1 7 . 1 1 3 3 ILE H H 3 8.659 8.659 7.669 0.990 19449 2593 1 7 . 1 1 4 4 SER N N 4 122.216 122.216 121.285 0.931 19449 2594 1 7 . 1 1 4 4 SER HA H 4 4.532 4.532 4.318 0.214 19449 2595 1 7 . 1 1 4 4 SER C C 4 174.562 174.562 175.638 -1.076 19449 2596 1 7 . 1 1 4 4 SER CA C 4 57.162 57.162 59.096 -1.934 19449 2597 1 7 . 1 1 4 4 SER CB C 4 65.966 65.966 64.092 1.874 19449 2598 1 7 . 1 1 4 4 SER H H 4 8.376 8.376 8.444 -0.068 19449 2599 1 7 . 1 1 5 5 ALA N N 5 124.531 124.531 127.792 -3.261 19449 2600 1 7 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.929 -0.404 19449 2601 1 7 . 1 1 5 5 ALA C C 5 179.834 179.834 178.719 1.115 19449 2602 1 7 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.484 1.032 19449 2603 1 7 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.760 -0.710 19449 2604 1 7 . 1 1 5 5 ALA H H 5 8.986 8.986 8.660 0.326 19449 2605 1 7 . 1 1 6 6 GLU N N 6 117.333 117.333 116.044 1.289 19449 2606 1 7 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.256 -0.334 19449 2607 1 7 . 1 1 6 6 GLU C C 6 179.125 179.125 178.235 0.890 19449 2608 1 7 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.456 1.288 19449 2609 1 7 . 1 1 6 6 GLU CB C 6 29.270 29.270 29.060 0.210 19449 2610 1 7 . 1 1 6 6 GLU H H 6 8.526 8.526 8.589 -0.063 19449 2611 1 7 . 1 1 7 7 GLU N N 7 120.933 120.933 119.292 1.641 19449 2612 1 7 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.218 -0.344 19449 2613 1 7 . 1 1 7 7 GLU C C 7 178.705 178.705 178.217 0.488 19449 2614 1 7 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.772 1.244 19449 2615 1 7 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.898 -0.289 19449 2616 1 7 . 1 1 7 7 GLU H H 7 7.696 7.696 7.790 -0.094 19449 2617 1 7 . 1 1 8 8 LEU N N 8 120.345 120.345 119.817 0.528 19449 2618 1 7 . 1 1 8 8 LEU HA H 8 3.728 3.728 3.965 -0.237 19449 2619 1 7 . 1 1 8 8 LEU C C 8 177.984 177.984 177.858 0.126 19449 2620 1 7 . 1 1 8 8 LEU CA C 8 57.938 57.938 58.230 -0.292 19449 2621 1 7 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.906 -0.163 19449 2622 1 7 . 1 1 8 8 LEU H H 8 8.092 8.092 7.255 0.837 19449 2623 1 7 . 1 1 9 9 GLU N N 9 118.656 118.656 115.855 2.801 19449 2624 1 7 . 1 1 9 9 GLU HA H 9 3.528 3.528 4.065 -0.537 19449 2625 1 7 . 1 1 9 9 GLU C C 9 177.280 177.280 178.168 -0.888 19449 2626 1 7 . 1 1 9 9 GLU CA C 9 60.629 60.629 58.883 1.746 19449 2627 1 7 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.792 0.351 19449 2628 1 7 . 1 1 9 9 GLU H H 9 8.104 8.104 8.349 -0.245 19449 2629 1 7 . 1 1 10 10 LYS N N 10 117.661 117.661 119.201 -1.540 19449 2630 1 7 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.061 -0.288 19449 2631 1 7 . 1 1 10 10 LYS C C 10 179.895 179.895 178.897 0.998 19449 2632 1 7 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.735 1.186 19449 2633 1 7 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.841 0.546 19449 2634 1 7 . 1 1 10 10 LYS H H 10 7.565 7.565 7.718 -0.153 19449 2635 1 7 . 1 1 11 11 ILE N N 11 119.359 119.359 117.742 1.617 19449 2636 1 7 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.850 -0.234 19449 2637 1 7 . 1 1 11 11 ILE C C 11 179.908 179.908 177.326 2.582 19449 2638 1 7 . 1 1 11 11 ILE CA C 11 64.980 64.980 63.417 1.563 19449 2639 1 7 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.368 0.047 19449 2640 1 7 . 1 1 11 11 ILE H H 11 7.894 7.894 7.256 0.638 19449 2641 1 7 . 1 1 12 12 LEU N N 12 121.478 121.478 119.080 2.398 19449 2642 1 7 . 1 1 12 12 LEU HA H 12 3.973 3.973 4.062 -0.089 19449 2643 1 7 . 1 1 12 12 LEU C C 12 179.346 179.346 178.460 0.886 19449 2644 1 7 . 1 1 12 12 LEU CA C 12 58.306 58.306 56.448 1.858 19449 2645 1 7 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.564 1.289 19449 2646 1 7 . 1 1 12 12 LEU H H 12 8.180 8.180 7.312 0.868 19449 2647 1 7 . 1 1 13 13 LYS N N 13 119.072 119.072 118.515 0.557 19449 2648 1 7 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.286 -0.495 19449 2649 1 7 . 1 1 13 13 LYS C C 13 177.763 177.763 177.312 0.451 19449 2650 1 7 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.028 -0.133 19449 2651 1 7 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.190 -0.109 19449 2652 1 7 . 1 1 13 13 LYS H H 13 8.648 8.648 7.902 0.746 19449 2653 1 7 . 1 1 14 14 LYS N N 14 116.972 116.972 118.706 -1.734 19449 2654 1 7 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.024 -0.061 19449 2655 1 7 . 1 1 14 14 LYS C C 14 178.525 178.525 177.879 0.646 19449 2656 1 7 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.494 0.686 19449 2657 1 7 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.300 -0.197 19449 2658 1 7 . 1 1 14 14 LYS H H 14 7.225 7.225 7.529 -0.304 19449 2659 1 7 . 1 1 15 15 SER N N 15 111.938 111.938 111.581 0.357 19449 2660 1 7 . 1 1 15 15 SER HA H 15 4.206 4.206 4.350 -0.144 19449 2661 1 7 . 1 1 15 15 SER C C 15 172.812 172.812 174.503 -1.691 19449 2662 1 7 . 1 1 15 15 SER CA C 15 60.745 60.745 59.129 1.616 19449 2663 1 7 . 1 1 15 15 SER CB C 15 64.381 64.381 63.773 0.608 19449 2664 1 7 . 1 1 15 15 SER H H 15 6.913 6.913 7.672 -0.759 19449 2665 1 7 . 1 1 16 16 PHE N N 16 118.448 118.448 120.838 -2.390 19449 2666 1 7 . 1 1 16 16 PHE HA H 16 4.856 4.856 5.001 -0.145 19449 2667 1 7 . 1 1 16 16 PHE CA C 16 54.828 54.828 53.724 1.104 19449 2668 1 7 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.114 -0.545 19449 2669 1 7 . 1 1 16 16 PHE H H 16 8.222 8.222 7.792 0.430 19449 2670 1 7 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.364 0.209 19449 2671 1 7 . 1 1 17 17 PRO C C 17 178.807 178.807 177.326 1.481 19449 2672 1 7 . 1 1 17 17 PRO CA C 17 65.800 65.800 65.174 0.626 19449 2673 1 7 . 1 1 17 17 PRO CB C 17 32.018 32.018 31.958 0.060 19449 2674 1 7 . 1 1 18 18 SER N N 18 116.179 116.179 114.079 2.100 19449 2675 1 7 . 1 1 18 18 SER HA H 18 4.716 4.716 4.381 0.335 19449 2676 1 7 . 1 1 18 18 SER C C 18 174.085 174.085 174.427 -0.342 19449 2677 1 7 . 1 1 18 18 SER CA C 18 57.161 57.161 58.884 -1.723 19449 2678 1 7 . 1 1 18 18 SER CB C 18 63.144 63.144 63.140 0.004 19449 2679 1 7 . 1 1 18 18 SER H H 18 9.427 9.427 8.459 0.968 19449 2680 1 7 . 1 1 19 19 SER N N 19 116.639 116.639 116.338 0.301 19449 2681 1 7 . 1 1 19 19 SER HA H 19 4.750 4.750 4.705 0.045 19449 2682 1 7 . 1 1 19 19 SER C C 19 175.392 175.392 174.522 0.870 19449 2683 1 7 . 1 1 19 19 SER CA C 19 58.398 58.398 59.667 -1.269 19449 2684 1 7 . 1 1 19 19 SER CB C 19 66.246 66.246 64.206 2.040 19449 2685 1 7 . 1 1 19 19 SER H H 19 7.303 7.303 7.660 -0.357 19449 2686 1 7 . 1 1 20 20 VAL N N 20 119.200 119.200 126.275 -7.075 19449 2687 1 7 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.174 -0.023 19449 2688 1 7 . 1 1 20 20 VAL C C 20 175.866 175.866 174.776 1.090 19449 2689 1 7 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.787 0.846 19449 2690 1 7 . 1 1 20 20 VAL CB C 20 33.213 33.213 31.813 1.400 19449 2691 1 7 . 1 1 20 20 VAL H H 20 8.354 8.354 8.447 -0.093 19449 2692 1 7 . 1 1 21 21 ILE N N 21 128.342 128.342 129.509 -1.167 19449 2693 1 7 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.260 0.425 19449 2694 1 7 . 1 1 21 21 ILE C C 21 174.757 174.757 175.411 -0.654 19449 2695 1 7 . 1 1 21 21 ILE CA C 21 60.521 60.521 61.280 -0.759 19449 2696 1 7 . 1 1 21 21 ILE CB C 21 41.455 41.455 37.698 3.757 19449 2697 1 7 . 1 1 21 21 ILE H H 21 8.668 8.668 8.265 0.403 19449 2698 1 7 . 1 1 22 22 LYS N N 22 128.866 128.866 128.868 -0.002 19449 2699 1 7 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.694 -0.151 19449 2700 1 7 . 1 1 22 22 LYS C C 22 174.900 174.900 174.870 0.030 19449 2701 1 7 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.571 0.990 19449 2702 1 7 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.246 -0.756 19449 2703 1 7 . 1 1 22 22 LYS H H 22 9.004 9.004 8.077 0.927 19449 2704 1 7 . 1 1 23 23 ILE N N 23 127.570 127.570 124.276 3.294 19449 2705 1 7 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.957 -0.140 19449 2706 1 7 . 1 1 23 23 ILE C C 23 175.206 175.206 176.544 -1.338 19449 2707 1 7 . 1 1 23 23 ILE CA C 23 60.258 60.258 60.509 -0.251 19449 2708 1 7 . 1 1 23 23 ILE CB C 23 40.379 40.379 39.607 0.772 19449 2709 1 7 . 1 1 23 23 ILE H H 23 8.869 8.869 8.430 0.439 19449 2710 1 7 . 1 1 24 24 THR N N 24 122.480 122.480 122.455 0.025 19449 2711 1 7 . 1 1 24 24 THR HA H 24 4.532 4.532 4.606 -0.074 19449 2712 1 7 . 1 1 24 24 THR C C 24 173.003 173.003 172.609 0.394 19449 2713 1 7 . 1 1 24 24 THR CA C 24 61.182 61.182 61.192 -0.010 19449 2714 1 7 . 1 1 24 24 THR CB C 24 71.402 71.402 72.134 -0.732 19449 2715 1 7 . 1 1 24 24 THR H H 24 8.856 8.856 8.453 0.403 19449 2716 1 7 . 1 1 25 25 ASP N N 25 126.508 126.508 125.119 1.389 19449 2717 1 7 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.840 -0.143 19449 2718 1 7 . 1 1 25 25 ASP C C 25 176.417 176.417 176.519 -0.102 19449 2719 1 7 . 1 1 25 25 ASP CA C 25 53.225 53.225 53.801 -0.576 19449 2720 1 7 . 1 1 25 25 ASP CB C 25 40.744 40.744 40.857 -0.113 19449 2721 1 7 . 1 1 25 25 ASP H H 25 8.984 8.984 8.630 0.354 19449 2722 1 7 . 1 1 26 26 LEU N N 26 125.128 125.128 124.649 0.479 19449 2723 1 7 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.728 -0.638 19449 2724 1 7 . 1 1 26 26 LEU C C 26 177.615 177.615 176.201 1.414 19449 2725 1 7 . 1 1 26 26 LEU CA C 26 56.409 56.409 54.836 1.573 19449 2726 1 7 . 1 1 26 26 LEU CB C 26 42.808 42.808 41.980 0.828 19449 2727 1 7 . 1 1 26 26 LEU H H 26 8.493 8.493 8.630 -0.137 19449 2728 1 7 . 1 1 27 27 VAL N N 27 116.931 116.931 114.539 2.392 19449 2729 1 7 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.612 -0.600 19449 2730 1 7 . 1 1 27 27 VAL C C 27 176.064 176.064 175.636 0.428 19449 2731 1 7 . 1 1 27 27 VAL CA C 27 62.772 62.772 60.091 2.681 19449 2732 1 7 . 1 1 27 27 VAL CB C 27 34.397 34.397 34.568 -0.171 19449 2733 1 7 . 1 1 27 27 VAL H H 27 8.111 8.111 7.593 0.518 19449 2734 1 7 . 1 1 28 28 GLY N N 28 111.338 111.338 109.980 1.358 19449 2735 1 7 . 1 1 28 28 GLY C C 28 174.054 174.054 173.688 0.366 19449 2736 1 7 . 1 1 28 28 GLY CA C 28 45.634 45.634 45.078 0.556 19449 2737 1 7 . 1 1 28 28 GLY H H 28 8.947 8.947 8.515 0.432 19449 2738 1 7 . 1 1 29 29 ASP N N 29 119.343 119.343 120.418 -1.075 19449 2739 1 7 . 1 1 29 29 ASP C C 29 175.806 175.806 175.522 0.284 19449 2740 1 7 . 1 1 29 29 ASP CA C 29 52.520 52.520 54.935 -2.415 19449 2741 1 7 . 1 1 29 29 ASP CB C 29 41.120 41.120 40.084 1.036 19449 2742 1 7 . 1 1 29 29 ASP H H 29 7.802 7.802 7.822 -0.020 19449 2743 1 7 . 1 1 30 30 GLN N N 30 116.835 116.835 120.162 -3.327 19449 2744 1 7 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.298 -0.717 19449 2745 1 7 . 1 1 30 30 GLN C C 30 174.351 174.351 175.355 -1.004 19449 2746 1 7 . 1 1 30 30 GLN CA C 30 57.299 57.299 55.246 2.053 19449 2747 1 7 . 1 1 30 30 GLN CB C 30 27.350 27.350 28.816 -1.466 19449 2748 1 7 . 1 1 30 30 GLN H H 30 9.284 9.284 8.310 0.974 19449 2749 1 7 . 1 1 31 31 ASP N N 31 114.773 114.773 117.935 -3.162 19449 2750 1 7 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.294 0.463 19449 2751 1 7 . 1 1 31 31 ASP C C 31 174.994 174.994 174.217 0.777 19449 2752 1 7 . 1 1 31 31 ASP CA C 31 53.587 53.587 55.639 -2.052 19449 2753 1 7 . 1 1 31 31 ASP CB C 31 42.674 42.674 39.020 3.654 19449 2754 1 7 . 1 1 31 31 ASP H H 31 7.762 7.762 7.856 -0.094 19449 2755 1 7 . 1 1 32 32 HIS N N 32 116.715 116.715 116.047 0.668 19449 2756 1 7 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.670 0.149 19449 2757 1 7 . 1 1 32 32 HIS CA C 32 55.006 55.006 54.891 0.115 19449 2758 1 7 . 1 1 32 32 HIS CB C 32 30.246 30.246 32.559 -2.313 19449 2759 1 7 . 1 1 32 32 HIS H H 32 7.364 7.364 7.767 -0.403 19449 2760 1 7 . 1 1 33 33 TYR N N 33 118.888 118.888 117.310 1.578 19449 2761 1 7 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.654 0.627 19449 2762 1 7 . 1 1 33 33 TYR C C 33 175.344 175.344 173.855 1.489 19449 2763 1 7 . 1 1 33 33 TYR CA C 33 57.486 57.486 57.699 -0.213 19449 2764 1 7 . 1 1 33 33 TYR CB C 33 42.046 42.046 42.166 -0.120 19449 2765 1 7 . 1 1 33 33 TYR H H 33 7.979 7.979 8.008 -0.029 19449 2766 1 7 . 1 1 34 34 ALA N N 34 124.471 124.471 124.163 0.308 19449 2767 1 7 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.812 0.167 19449 2768 1 7 . 1 1 34 34 ALA C C 34 175.399 175.399 175.199 0.200 19449 2769 1 7 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.498 0.565 19449 2770 1 7 . 1 1 34 34 ALA CB C 34 20.421 20.421 20.635 -0.214 19449 2771 1 7 . 1 1 34 34 ALA H H 34 9.214 9.214 8.767 0.447 19449 2772 1 7 . 1 1 35 35 LEU N N 35 124.614 124.614 125.130 -0.516 19449 2773 1 7 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.646 0.313 19449 2774 1 7 . 1 1 35 35 LEU C C 35 174.694 174.694 175.546 -0.852 19449 2775 1 7 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.099 -0.816 19449 2776 1 7 . 1 1 35 35 LEU CB C 35 45.575 45.575 44.539 1.036 19449 2777 1 7 . 1 1 35 35 LEU H H 35 8.855 8.855 8.793 0.062 19449 2778 1 7 . 1 1 36 36 GLU N N 36 127.949 127.949 124.284 3.665 19449 2779 1 7 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.631 0.603 19449 2780 1 7 . 1 1 36 36 GLU C C 36 174.441 174.441 174.708 -0.267 19449 2781 1 7 . 1 1 36 36 GLU CA C 36 54.797 54.797 55.270 -0.473 19449 2782 1 7 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.439 0.169 19449 2783 1 7 . 1 1 36 36 GLU H H 36 9.085 9.085 8.340 0.745 19449 2784 1 7 . 1 1 37 37 ILE N N 37 123.414 123.414 126.010 -2.596 19449 2785 1 7 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.739 0.456 19449 2786 1 7 . 1 1 37 37 ILE C C 37 172.644 172.644 173.831 -1.187 19449 2787 1 7 . 1 1 37 37 ILE CA C 37 58.298 58.298 59.630 -1.332 19449 2788 1 7 . 1 1 37 37 ILE CB C 37 41.651 41.651 40.889 0.762 19449 2789 1 7 . 1 1 37 37 ILE H H 37 8.709 8.709 7.636 1.073 19449 2790 1 7 . 1 1 38 38 SER N N 38 123.499 123.499 122.847 0.652 19449 2791 1 7 . 1 1 38 38 SER HA H 38 5.989 5.989 5.371 0.618 19449 2792 1 7 . 1 1 38 38 SER C C 38 173.645 173.645 172.871 0.774 19449 2793 1 7 . 1 1 38 38 SER CA C 38 55.428 55.428 56.321 -0.893 19449 2794 1 7 . 1 1 38 38 SER CB C 38 64.017 64.017 64.603 -0.586 19449 2795 1 7 . 1 1 38 38 SER H H 38 8.843 8.843 8.666 0.177 19449 2796 1 7 . 1 1 39 39 ASP N N 39 122.449 122.449 125.498 -3.049 19449 2797 1 7 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.819 -0.381 19449 2798 1 7 . 1 1 39 39 ASP C C 39 175.131 175.131 173.803 1.328 19449 2799 1 7 . 1 1 39 39 ASP CA C 39 55.009 55.009 54.513 0.496 19449 2800 1 7 . 1 1 39 39 ASP CB C 39 46.600 46.600 44.803 1.797 19449 2801 1 7 . 1 1 39 39 ASP H H 39 8.211 8.211 8.326 -0.115 19449 2802 1 7 . 1 1 40 40 ALA N N 40 129.616 129.616 122.880 6.736 19449 2803 1 7 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.469 -0.100 19449 2804 1 7 . 1 1 40 40 ALA C C 40 180.467 180.467 176.920 3.547 19449 2805 1 7 . 1 1 40 40 ALA CA C 40 53.868 53.868 53.322 0.546 19449 2806 1 7 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.152 0.220 19449 2807 1 7 . 1 1 40 40 ALA H H 40 8.730 8.730 8.545 0.185 19449 2808 1 7 . 1 1 41 41 GLN N N 41 119.804 119.804 117.279 2.525 19449 2809 1 7 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.204 -0.234 19449 2810 1 7 . 1 1 41 41 GLN C C 41 176.767 176.767 176.045 0.722 19449 2811 1 7 . 1 1 41 41 GLN CA C 41 58.257 58.257 55.579 2.678 19449 2812 1 7 . 1 1 41 41 GLN CB C 41 29.807 29.807 29.735 0.072 19449 2813 1 7 . 1 1 41 41 GLN H H 41 10.188 10.188 7.911 2.277 19449 2814 1 7 . 1 1 42 42 PHE N N 42 114.111 114.111 121.035 -6.924 19449 2815 1 7 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.634 -0.075 19449 2816 1 7 . 1 1 42 42 PHE C C 42 176.183 176.183 174.800 1.383 19449 2817 1 7 . 1 1 42 42 PHE CA C 42 55.829 55.829 57.586 -1.757 19449 2818 1 7 . 1 1 42 42 PHE CB C 42 37.612 37.612 37.501 0.111 19449 2819 1 7 . 1 1 42 42 PHE H H 42 7.010 7.010 7.495 -0.485 19449 2820 1 7 . 1 1 43 43 ASN N N 43 118.260 118.260 118.220 0.040 19449 2821 1 7 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.706 -0.414 19449 2822 1 7 . 1 1 43 43 ASN C C 43 176.455 176.455 176.301 0.154 19449 2823 1 7 . 1 1 43 43 ASN CA C 43 55.282 55.282 54.590 0.692 19449 2824 1 7 . 1 1 43 43 ASN CB C 43 37.930 37.930 39.227 -1.297 19449 2825 1 7 . 1 1 43 43 ASN H H 43 7.528 7.528 7.567 -0.039 19449 2826 1 7 . 1 1 44 44 GLY N N 44 111.528 111.528 107.171 4.357 19449 2827 1 7 . 1 1 44 44 GLY C C 44 173.888 173.888 174.609 -0.721 19449 2828 1 7 . 1 1 44 44 GLY CA C 44 45.606 45.606 45.132 0.474 19449 2829 1 7 . 1 1 44 44 GLY H H 44 8.697 8.697 8.216 0.481 19449 2830 1 7 . 1 1 45 45 LEU N N 45 120.387 120.387 121.034 -0.647 19449 2831 1 7 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.505 0.244 19449 2832 1 7 . 1 1 45 45 LEU C C 45 178.175 178.175 176.077 2.098 19449 2833 1 7 . 1 1 45 45 LEU CA C 45 53.328 53.328 55.058 -1.730 19449 2834 1 7 . 1 1 45 45 LEU CB C 45 44.992 44.992 43.129 1.863 19449 2835 1 7 . 1 1 45 45 LEU H H 45 7.565 7.565 7.883 -0.318 19449 2836 1 7 . 1 1 46 46 SER N N 46 118.894 118.894 113.984 4.910 19449 2837 1 7 . 1 1 46 46 SER HA H 46 4.313 4.313 4.658 -0.345 19449 2838 1 7 . 1 1 46 46 SER C C 46 174.896 174.896 175.390 -0.494 19449 2839 1 7 . 1 1 46 46 SER CA C 46 57.022 57.022 56.454 0.568 19449 2840 1 7 . 1 1 46 46 SER CB C 46 64.252 64.252 65.126 -0.874 19449 2841 1 7 . 1 1 46 46 SER H H 46 8.896 8.896 8.159 0.737 19449 2842 1 7 . 1 1 47 47 LEU N N 47 124.460 124.460 122.637 1.823 19449 2843 1 7 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.343 -0.720 19449 2844 1 7 . 1 1 47 47 LEU C C 47 179.220 179.220 179.247 -0.027 19449 2845 1 7 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.900 1.232 19449 2846 1 7 . 1 1 47 47 LEU CB C 47 41.689 41.689 40.927 0.762 19449 2847 1 7 . 1 1 47 47 LEU H H 47 8.720 8.720 8.838 -0.118 19449 2848 1 7 . 1 1 48 48 ILE N N 48 115.654 115.654 119.717 -4.063 19449 2849 1 7 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.946 -0.316 19449 2850 1 7 . 1 1 48 48 ILE C C 48 178.433 178.433 177.374 1.059 19449 2851 1 7 . 1 1 48 48 ILE CA C 48 64.200 64.200 64.089 0.111 19449 2852 1 7 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.356 1.543 19449 2853 1 7 . 1 1 48 48 ILE H H 48 7.920 7.920 8.177 -0.257 19449 2854 1 7 . 1 1 49 49 ASN N N 49 120.529 120.529 118.134 2.395 19449 2855 1 7 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.495 0.156 19449 2856 1 7 . 1 1 49 49 ASN C C 49 178.478 178.478 178.323 0.155 19449 2857 1 7 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.179 -0.483 19449 2858 1 7 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.550 0.344 19449 2859 1 7 . 1 1 49 49 ASN H H 49 7.449 7.449 8.534 -1.085 19449 2860 1 7 . 1 1 50 50 GLN N N 50 122.483 122.483 118.555 3.928 19449 2861 1 7 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.253 -0.394 19449 2862 1 7 . 1 1 50 50 GLN C C 50 177.657 177.657 178.120 -0.463 19449 2863 1 7 . 1 1 50 50 GLN CA C 50 59.646 59.646 58.884 0.762 19449 2864 1 7 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.933 -1.012 19449 2865 1 7 . 1 1 50 50 GLN H H 50 8.664 8.664 8.484 0.180 19449 2866 1 7 . 1 1 51 51 HIS N N 51 116.297 116.297 119.264 -2.967 19449 2867 1 7 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.462 -0.591 19449 2868 1 7 . 1 1 51 51 HIS CA C 51 59.635 59.635 59.208 0.427 19449 2869 1 7 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.555 -0.444 19449 2870 1 7 . 1 1 51 51 HIS H H 51 8.206 8.206 7.917 0.289 19449 2871 1 7 . 1 1 52 52 LYS N N 52 120.443 120.443 119.470 0.973 19449 2872 1 7 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.265 -0.411 19449 2873 1 7 . 1 1 52 52 LYS C C 52 178.162 178.162 178.478 -0.316 19449 2874 1 7 . 1 1 52 52 LYS CA C 52 60.085 60.085 59.104 0.981 19449 2875 1 7 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.278 0.374 19449 2876 1 7 . 1 1 52 52 LYS H H 52 8.282 8.282 8.169 0.113 19449 2877 1 7 . 1 1 53 53 LEU N N 53 117.663 117.663 121.088 -3.425 19449 2878 1 7 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.146 -0.025 19449 2879 1 7 . 1 1 53 53 LEU C C 53 180.570 180.570 178.753 1.817 19449 2880 1 7 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.051 0.137 19449 2881 1 7 . 1 1 53 53 LEU CB C 53 42.854 42.854 42.225 0.629 19449 2882 1 7 . 1 1 53 53 LEU H H 53 7.528 7.528 7.791 -0.263 19449 2883 1 7 . 1 1 54 54 VAL N N 54 118.963 118.963 115.493 3.470 19449 2884 1 7 . 1 1 54 54 VAL HA H 54 3.650 3.650 4.002 -0.352 19449 2885 1 7 . 1 1 54 54 VAL C C 54 177.185 177.185 177.700 -0.515 19449 2886 1 7 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.064 0.614 19449 2887 1 7 . 1 1 54 54 VAL CB C 54 31.630 31.630 30.738 0.892 19449 2888 1 7 . 1 1 54 54 VAL H H 54 7.286 7.286 7.673 -0.387 19449 2889 1 7 . 1 1 55 55 LYS N N 55 119.061 119.061 118.739 0.322 19449 2890 1 7 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.181 -0.596 19449 2891 1 7 . 1 1 55 55 LYS C C 55 179.976 179.976 178.990 0.986 19449 2892 1 7 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.451 2.415 19449 2893 1 7 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.015 -0.272 19449 2894 1 7 . 1 1 55 55 LYS H H 55 8.539 8.539 7.548 0.991 19449 2895 1 7 . 1 1 56 56 ASN N N 56 117.807 117.807 119.131 -1.324 19449 2896 1 7 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.593 -0.245 19449 2897 1 7 . 1 1 56 56 ASN C C 56 178.363 178.363 177.497 0.866 19449 2898 1 7 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.814 0.111 19449 2899 1 7 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.121 -0.478 19449 2900 1 7 . 1 1 56 56 ASN H H 56 8.640 8.640 8.161 0.479 19449 2901 1 7 . 1 1 57 57 ALA N N 57 122.142 122.142 121.768 0.374 19449 2902 1 7 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.288 -0.135 19449 2903 1 7 . 1 1 57 57 ALA C C 57 178.976 178.976 178.563 0.413 19449 2904 1 7 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.545 -0.041 19449 2905 1 7 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.469 0.534 19449 2906 1 7 . 1 1 57 57 ALA H H 57 7.436 7.436 8.468 -1.032 19449 2907 1 7 . 1 1 58 58 LEU N N 58 115.109 115.109 110.366 4.743 19449 2908 1 7 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.567 -0.223 19449 2909 1 7 . 1 1 58 58 LEU C C 58 177.792 177.792 177.876 -0.084 19449 2910 1 7 . 1 1 58 58 LEU CA C 58 53.791 53.791 56.222 -2.431 19449 2911 1 7 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.258 0.308 19449 2912 1 7 . 1 1 58 58 LEU H H 58 7.458 7.458 7.375 0.083 19449 2913 1 7 . 1 1 59 59 SER N N 59 117.442 117.442 115.789 1.653 19449 2914 1 7 . 1 1 59 59 SER HA H 59 3.967 3.967 4.348 -0.381 19449 2915 1 7 . 1 1 59 59 SER C C 59 175.721 175.721 175.730 -0.009 19449 2916 1 7 . 1 1 59 59 SER CA C 59 62.464 62.464 60.608 1.855 19449 2917 1 7 . 1 1 59 59 SER CB C 59 63.058 63.058 63.209 -0.152 19449 2918 1 7 . 1 1 59 59 SER H H 59 7.559 7.559 7.435 0.124 19449 2919 1 7 . 1 1 60 60 GLU N N 60 118.774 118.774 120.784 -2.010 19449 2920 1 7 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.246 -0.097 19449 2921 1 7 . 1 1 60 60 GLU C C 60 177.223 177.223 177.881 -0.658 19449 2922 1 7 . 1 1 60 60 GLU CA C 60 58.231 58.231 58.203 0.028 19449 2923 1 7 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.986 -0.175 19449 2924 1 7 . 1 1 60 60 GLU H H 60 8.491 8.491 8.528 -0.037 19449 2925 1 7 . 1 1 61 61 ILE N N 61 112.097 112.097 118.701 -6.604 19449 2926 1 7 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.013 0.247 19449 2927 1 7 . 1 1 61 61 ILE C C 61 177.352 177.352 175.572 1.780 19449 2928 1 7 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.359 0.075 19449 2929 1 7 . 1 1 61 61 ILE CB C 61 39.900 39.900 37.646 2.254 19449 2930 1 7 . 1 1 61 61 ILE H H 61 7.582 7.582 7.600 -0.018 19449 2931 1 7 . 1 1 62 62 LEU N N 62 124.848 124.848 117.712 7.136 19449 2932 1 7 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.072 0.121 19449 2933 1 7 . 1 1 62 62 LEU C C 62 177.476 177.476 176.517 0.959 19449 2934 1 7 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.388 1.221 19449 2935 1 7 . 1 1 62 62 LEU CB C 62 41.516 41.516 38.913 2.603 19449 2936 1 7 . 1 1 62 62 LEU H H 62 8.113 8.113 7.624 0.489 19449 2937 1 7 . 1 1 63 63 ASN N N 63 117.202 117.202 116.597 0.605 19449 2938 1 7 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.700 -0.449 19449 2939 1 7 . 1 1 63 63 ASN C C 63 174.911 174.911 175.020 -0.109 19449 2940 1 7 . 1 1 63 63 ASN CA C 63 55.685 55.685 53.403 2.282 19449 2941 1 7 . 1 1 63 63 ASN CB C 63 37.948 37.948 39.859 -1.911 19449 2942 1 7 . 1 1 63 63 ASN H H 63 8.507 8.507 8.186 0.321 19449 2943 1 7 . 1 1 64 64 LYS N N 64 118.109 118.109 120.338 -2.229 19449 2944 1 7 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.526 -0.261 19449 2945 1 7 . 1 1 64 64 LYS C C 64 175.964 175.964 176.412 -0.448 19449 2946 1 7 . 1 1 64 64 LYS CA C 64 57.592 57.592 54.868 2.724 19449 2947 1 7 . 1 1 64 64 LYS CB C 64 33.841 33.841 34.268 -0.427 19449 2948 1 7 . 1 1 64 64 LYS H H 64 7.691 7.691 7.532 0.159 19449 2949 1 7 . 1 1 65 65 LYS N N 65 116.060 116.060 122.374 -6.314 19449 2950 1 7 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.314 0.015 19449 2951 1 7 . 1 1 65 65 LYS C C 65 174.912 174.912 176.728 -1.816 19449 2952 1 7 . 1 1 65 65 LYS CA C 65 56.422 56.422 56.779 -0.357 19449 2953 1 7 . 1 1 65 65 LYS CB C 65 34.292 34.292 32.667 1.625 19449 2954 1 7 . 1 1 65 65 LYS H H 65 7.805 7.805 8.544 -0.739 19449 2955 1 7 . 1 1 66 66 LEU N N 66 118.796 118.796 120.578 -1.782 19449 2956 1 7 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.613 -0.130 19449 2957 1 7 . 1 1 66 66 LEU CA C 66 54.089 54.089 55.175 -1.086 19449 2958 1 7 . 1 1 66 66 LEU CB C 66 43.732 43.732 44.182 -0.450 19449 2959 1 7 . 1 1 66 66 LEU H H 66 7.386 7.386 7.723 -0.337 19449 2960 1 7 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.885 -0.354 19449 2961 1 7 . 1 1 67 67 HIS CA C 67 57.560 57.560 55.526 2.034 19449 2962 1 7 . 1 1 67 67 HIS CB C 67 29.560 29.560 31.717 -2.157 19449 2963 1 7 . 1 1 68 68 SER N N 68 113.247 113.247 121.517 -8.270 19449 2964 1 7 . 1 1 68 68 SER HA H 68 4.521 4.521 4.770 -0.249 19449 2965 1 7 . 1 1 68 68 SER C C 68 172.449 172.449 173.392 -0.943 19449 2966 1 7 . 1 1 68 68 SER CA C 68 57.887 57.887 57.593 0.294 19449 2967 1 7 . 1 1 68 68 SER CB C 68 63.781 63.781 63.412 0.369 19449 2968 1 7 . 1 1 68 68 SER H H 68 7.505 7.505 8.293 -0.788 19449 2969 1 7 . 1 1 69 69 ILE N N 69 122.511 122.511 117.151 5.360 19449 2970 1 7 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.201 0.759 19449 2971 1 7 . 1 1 69 69 ILE C C 69 173.796 173.796 174.755 -0.959 19449 2972 1 7 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.449 -0.195 19449 2973 1 7 . 1 1 69 69 ILE CB C 69 41.297 41.297 40.879 0.418 19449 2974 1 7 . 1 1 69 69 ILE H H 69 8.172 8.172 8.035 0.137 19449 2975 1 7 . 1 1 70 70 SER N N 70 122.242 122.242 115.475 6.767 19449 2976 1 7 . 1 1 70 70 SER HA H 70 4.683 4.683 4.734 -0.051 19449 2977 1 7 . 1 1 70 70 SER C C 70 173.443 173.443 174.170 -0.727 19449 2978 1 7 . 1 1 70 70 SER CA C 70 56.687 56.687 58.069 -1.382 19449 2979 1 7 . 1 1 70 70 SER CB C 70 64.027 64.027 64.567 -0.540 19449 2980 1 7 . 1 1 70 70 SER H H 70 8.428 8.428 8.074 0.354 19449 2981 1 7 . 1 1 71 71 ILE N N 71 125.615 125.615 127.580 -1.965 19449 2982 1 7 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.182 -0.013 19449 2983 1 7 . 1 1 71 71 ILE C C 71 173.769 173.769 174.758 -0.989 19449 2984 1 7 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.547 1.044 19449 2985 1 7 . 1 1 71 71 ILE CB C 71 40.978 40.978 39.379 1.599 19449 2986 1 7 . 1 1 71 71 ILE H H 71 8.615 8.615 8.845 -0.230 19449 2987 1 7 . 1 1 72 72 LYS N N 72 129.141 129.141 128.524 0.617 19449 2988 1 7 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.547 0.081 19449 2989 1 7 . 1 1 72 72 LYS C C 72 174.425 174.425 175.648 -1.223 19449 2990 1 7 . 1 1 72 72 LYS CA C 72 55.278 55.278 54.891 0.387 19449 2991 1 7 . 1 1 72 72 LYS CB C 72 35.146 35.146 35.068 0.078 19449 2992 1 7 . 1 1 72 72 LYS H H 72 8.419 8.419 8.794 -0.375 19449 2993 1 7 . 1 1 73 73 THR N N 73 116.054 116.054 115.710 0.344 19449 2994 1 7 . 1 1 73 73 THR HA H 73 4.695 4.695 4.257 0.438 19449 2995 1 7 . 1 1 73 73 THR C C 73 174.550 174.550 173.711 0.839 19449 2996 1 7 . 1 1 73 73 THR CA C 73 58.793 58.793 61.080 -2.287 19449 2997 1 7 . 1 1 73 73 THR CB C 73 68.752 68.752 69.323 -0.571 19449 2998 1 7 . 1 1 73 73 THR H H 73 8.258 8.258 8.281 -0.023 19449 2999 1 7 . 1 1 74 74 ILE N N 74 124.787 124.787 127.076 -2.289 19449 3000 1 7 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.399 -0.168 19449 3001 1 7 . 1 1 74 74 ILE C C 74 175.033 175.033 174.643 0.390 19449 3002 1 7 . 1 1 74 74 ILE CA C 74 60.813 60.813 60.767 0.046 19449 3003 1 7 . 1 1 74 74 ILE CB C 74 40.771 40.771 41.221 -0.450 19449 3004 1 7 . 1 1 74 74 ILE H H 74 8.655 8.655 8.037 0.618 19449 3005 1 7 . 1 1 75 75 SER N N 75 121.778 121.778 121.905 -0.127 19449 3006 1 7 . 1 1 75 75 SER HA H 75 4.574 4.574 5.163 -0.589 19449 3007 1 7 . 1 1 75 75 SER C C 75 173.153 173.153 173.670 -0.517 19449 3008 1 7 . 1 1 75 75 SER CA C 75 58.586 58.586 56.830 1.756 19449 3009 1 7 . 1 1 75 75 SER CB C 75 64.245 64.245 65.227 -0.982 19449 3010 1 7 . 1 1 75 75 SER H H 75 8.306 8.306 8.617 -0.311 19449 3011 1 8 . 1 1 2 2 ALA N N 2 124.143 124.143 125.398 -1.255 19449 3012 1 8 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.382 0.052 19449 3013 1 8 . 1 1 2 2 ALA C C 2 177.129 177.129 176.368 0.761 19449 3014 1 8 . 1 1 2 2 ALA CA C 2 52.125 52.125 51.928 0.197 19449 3015 1 8 . 1 1 2 2 ALA CB C 2 20.239 20.239 19.439 0.800 19449 3016 1 8 . 1 1 2 2 ALA H H 2 7.998 7.998 8.214 -0.216 19449 3017 1 8 . 1 1 3 3 ILE N N 3 120.462 120.462 119.817 0.645 19449 3018 1 8 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.269 0.075 19449 3019 1 8 . 1 1 3 3 ILE C C 3 173.994 173.994 175.944 -1.950 19449 3020 1 8 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.868 -1.310 19449 3021 1 8 . 1 1 3 3 ILE CB C 3 39.826 39.826 40.318 -0.492 19449 3022 1 8 . 1 1 3 3 ILE H H 3 8.659 8.659 8.033 0.626 19449 3023 1 8 . 1 1 4 4 SER N N 4 122.216 122.216 121.168 1.048 19449 3024 1 8 . 1 1 4 4 SER HA H 4 4.532 4.532 4.435 0.097 19449 3025 1 8 . 1 1 4 4 SER C C 4 174.562 174.562 176.050 -1.488 19449 3026 1 8 . 1 1 4 4 SER CA C 4 57.162 57.162 58.534 -1.372 19449 3027 1 8 . 1 1 4 4 SER CB C 4 65.966 65.966 64.088 1.877 19449 3028 1 8 . 1 1 4 4 SER H H 4 8.376 8.376 8.561 -0.185 19449 3029 1 8 . 1 1 5 5 ALA N N 5 124.531 124.531 127.884 -3.353 19449 3030 1 8 . 1 1 5 5 ALA HA H 5 3.525 3.525 4.125 -0.600 19449 3031 1 8 . 1 1 5 5 ALA C C 5 179.834 179.834 179.253 0.581 19449 3032 1 8 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.681 0.835 19449 3033 1 8 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.863 -0.813 19449 3034 1 8 . 1 1 5 5 ALA H H 5 8.986 8.986 8.855 0.131 19449 3035 1 8 . 1 1 6 6 GLU N N 6 117.333 117.333 117.611 -0.278 19449 3036 1 8 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.068 -0.146 19449 3037 1 8 . 1 1 6 6 GLU C C 6 179.125 179.125 178.227 0.898 19449 3038 1 8 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.587 1.157 19449 3039 1 8 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.517 0.753 19449 3040 1 8 . 1 1 6 6 GLU H H 6 8.526 8.526 8.786 -0.260 19449 3041 1 8 . 1 1 7 7 GLU N N 7 120.933 120.933 120.123 0.810 19449 3042 1 8 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.157 -0.283 19449 3043 1 8 . 1 1 7 7 GLU C C 7 178.705 178.705 177.741 0.964 19449 3044 1 8 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.741 1.275 19449 3045 1 8 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.634 -0.025 19449 3046 1 8 . 1 1 7 7 GLU H H 7 7.696 7.696 7.810 -0.114 19449 3047 1 8 . 1 1 8 8 LEU N N 8 120.345 120.345 120.063 0.282 19449 3048 1 8 . 1 1 8 8 LEU HA H 8 3.728 3.728 4.002 -0.274 19449 3049 1 8 . 1 1 8 8 LEU C C 8 177.984 177.984 177.868 0.116 19449 3050 1 8 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.564 0.374 19449 3051 1 8 . 1 1 8 8 LEU CB C 8 41.743 41.743 42.060 -0.318 19449 3052 1 8 . 1 1 8 8 LEU H H 8 8.092 8.092 7.608 0.484 19449 3053 1 8 . 1 1 9 9 GLU N N 9 118.656 118.656 117.445 1.211 19449 3054 1 8 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.976 -0.448 19449 3055 1 8 . 1 1 9 9 GLU C C 9 177.280 177.280 178.174 -0.894 19449 3056 1 8 . 1 1 9 9 GLU CA C 9 60.629 60.629 58.889 1.740 19449 3057 1 8 . 1 1 9 9 GLU CB C 9 29.143 29.143 29.056 0.087 19449 3058 1 8 . 1 1 9 9 GLU H H 9 8.104 8.104 7.826 0.278 19449 3059 1 8 . 1 1 10 10 LYS N N 10 117.661 117.661 119.321 -1.660 19449 3060 1 8 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.039 -0.266 19449 3061 1 8 . 1 1 10 10 LYS C C 10 179.895 179.895 179.177 0.718 19449 3062 1 8 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.694 1.227 19449 3063 1 8 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.711 0.676 19449 3064 1 8 . 1 1 10 10 LYS H H 10 7.565 7.565 7.770 -0.205 19449 3065 1 8 . 1 1 11 11 ILE N N 11 119.359 119.359 119.255 0.104 19449 3066 1 8 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.742 -0.126 19449 3067 1 8 . 1 1 11 11 ILE C C 11 179.908 179.908 178.024 1.884 19449 3068 1 8 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.745 0.236 19449 3069 1 8 . 1 1 11 11 ILE CB C 11 38.415 38.415 37.998 0.417 19449 3070 1 8 . 1 1 11 11 ILE H H 11 7.894 7.894 7.279 0.615 19449 3071 1 8 . 1 1 12 12 LEU N N 12 121.478 121.478 120.313 1.165 19449 3072 1 8 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.845 0.128 19449 3073 1 8 . 1 1 12 12 LEU C C 12 179.346 179.346 178.665 0.681 19449 3074 1 8 . 1 1 12 12 LEU CA C 12 58.306 58.306 57.578 0.728 19449 3075 1 8 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.138 1.715 19449 3076 1 8 . 1 1 12 12 LEU H H 12 8.180 8.180 7.635 0.545 19449 3077 1 8 . 1 1 13 13 LYS N N 13 119.072 119.072 118.656 0.416 19449 3078 1 8 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.149 -0.358 19449 3079 1 8 . 1 1 13 13 LYS C C 13 177.763 177.763 177.929 -0.166 19449 3080 1 8 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.495 -0.600 19449 3081 1 8 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.257 -0.177 19449 3082 1 8 . 1 1 13 13 LYS H H 13 8.648 8.648 8.148 0.500 19449 3083 1 8 . 1 1 14 14 LYS N N 14 116.972 116.972 116.196 0.776 19449 3084 1 8 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.075 -0.112 19449 3085 1 8 . 1 1 14 14 LYS C C 14 178.525 178.525 177.702 0.823 19449 3086 1 8 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.011 1.169 19449 3087 1 8 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.213 -0.111 19449 3088 1 8 . 1 1 14 14 LYS H H 14 7.225 7.225 7.753 -0.528 19449 3089 1 8 . 1 1 15 15 SER N N 15 111.938 111.938 113.883 -1.945 19449 3090 1 8 . 1 1 15 15 SER HA H 15 4.206 4.206 4.317 -0.111 19449 3091 1 8 . 1 1 15 15 SER C C 15 172.812 172.812 174.734 -1.922 19449 3092 1 8 . 1 1 15 15 SER CA C 15 60.745 60.745 58.999 1.746 19449 3093 1 8 . 1 1 15 15 SER CB C 15 64.381 64.381 64.871 -0.490 19449 3094 1 8 . 1 1 15 15 SER H H 15 6.913 6.913 7.403 -0.490 19449 3095 1 8 . 1 1 16 16 PHE N N 16 118.448 118.448 121.101 -2.653 19449 3096 1 8 . 1 1 16 16 PHE HA H 16 4.856 4.856 4.943 -0.087 19449 3097 1 8 . 1 1 16 16 PHE CA C 16 54.828 54.828 54.164 0.664 19449 3098 1 8 . 1 1 16 16 PHE CB C 16 37.569 37.569 37.984 -0.415 19449 3099 1 8 . 1 1 16 16 PHE H H 16 8.222 8.222 7.960 0.262 19449 3100 1 8 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.339 0.234 19449 3101 1 8 . 1 1 17 17 PRO C C 17 178.807 178.807 177.828 0.979 19449 3102 1 8 . 1 1 17 17 PRO CA C 17 65.800 65.800 64.970 0.830 19449 3103 1 8 . 1 1 17 17 PRO CB C 17 32.018 32.018 32.039 -0.021 19449 3104 1 8 . 1 1 18 18 SER N N 18 116.179 116.179 113.050 3.129 19449 3105 1 8 . 1 1 18 18 SER HA H 18 4.716 4.716 4.195 0.521 19449 3106 1 8 . 1 1 18 18 SER C C 18 174.085 174.085 174.543 -0.458 19449 3107 1 8 . 1 1 18 18 SER CA C 18 57.161 57.161 59.416 -2.255 19449 3108 1 8 . 1 1 18 18 SER CB C 18 63.144 63.144 63.111 0.033 19449 3109 1 8 . 1 1 18 18 SER H H 18 9.427 9.427 8.473 0.954 19449 3110 1 8 . 1 1 19 19 SER N N 19 116.639 116.639 114.797 1.842 19449 3111 1 8 . 1 1 19 19 SER HA H 19 4.750 4.750 4.537 0.213 19449 3112 1 8 . 1 1 19 19 SER C C 19 175.392 175.392 174.406 0.986 19449 3113 1 8 . 1 1 19 19 SER CA C 19 58.398 58.398 58.632 -0.234 19449 3114 1 8 . 1 1 19 19 SER CB C 19 66.246 66.246 64.326 1.920 19449 3115 1 8 . 1 1 19 19 SER H H 19 7.303 7.303 7.317 -0.014 19449 3116 1 8 . 1 1 20 20 VAL N N 20 119.200 119.200 123.126 -3.926 19449 3117 1 8 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.257 -0.106 19449 3118 1 8 . 1 1 20 20 VAL C C 20 175.866 175.866 174.930 0.936 19449 3119 1 8 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.427 1.206 19449 3120 1 8 . 1 1 20 20 VAL CB C 20 33.213 33.213 32.049 1.164 19449 3121 1 8 . 1 1 20 20 VAL H H 20 8.354 8.354 7.899 0.455 19449 3122 1 8 . 1 1 21 21 ILE N N 21 128.342 128.342 129.584 -1.242 19449 3123 1 8 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.235 0.450 19449 3124 1 8 . 1 1 21 21 ILE C C 21 174.757 174.757 175.709 -0.952 19449 3125 1 8 . 1 1 21 21 ILE CA C 21 60.521 60.521 61.341 -0.820 19449 3126 1 8 . 1 1 21 21 ILE CB C 21 41.455 41.455 38.577 2.878 19449 3127 1 8 . 1 1 21 21 ILE H H 21 8.668 8.668 8.457 0.211 19449 3128 1 8 . 1 1 22 22 LYS N N 22 128.866 128.866 127.647 1.219 19449 3129 1 8 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.600 -0.057 19449 3130 1 8 . 1 1 22 22 LYS C C 22 174.900 174.900 174.444 0.456 19449 3131 1 8 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.967 0.594 19449 3132 1 8 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.466 -0.976 19449 3133 1 8 . 1 1 22 22 LYS H H 22 9.004 9.004 8.196 0.808 19449 3134 1 8 . 1 1 23 23 ILE N N 23 127.570 127.570 123.237 4.333 19449 3135 1 8 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.465 0.352 19449 3136 1 8 . 1 1 23 23 ILE C C 23 175.206 175.206 176.006 -0.800 19449 3137 1 8 . 1 1 23 23 ILE CA C 23 60.258 60.258 60.507 -0.249 19449 3138 1 8 . 1 1 23 23 ILE CB C 23 40.379 40.379 39.764 0.615 19449 3139 1 8 . 1 1 23 23 ILE H H 23 8.869 8.869 8.518 0.351 19449 3140 1 8 . 1 1 24 24 THR N N 24 122.480 122.480 122.338 0.142 19449 3141 1 8 . 1 1 24 24 THR HA H 24 4.532 4.532 4.629 -0.097 19449 3142 1 8 . 1 1 24 24 THR C C 24 173.003 173.003 172.981 0.022 19449 3143 1 8 . 1 1 24 24 THR CA C 24 61.182 61.182 60.958 0.224 19449 3144 1 8 . 1 1 24 24 THR CB C 24 71.402 71.402 70.646 0.756 19449 3145 1 8 . 1 1 24 24 THR H H 24 8.856 8.856 8.274 0.582 19449 3146 1 8 . 1 1 25 25 ASP N N 25 126.508 126.508 125.657 0.851 19449 3147 1 8 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.651 0.046 19449 3148 1 8 . 1 1 25 25 ASP C C 25 176.417 176.417 175.531 0.886 19449 3149 1 8 . 1 1 25 25 ASP CA C 25 53.225 53.225 53.372 -0.147 19449 3150 1 8 . 1 1 25 25 ASP CB C 25 40.744 40.744 40.777 -0.033 19449 3151 1 8 . 1 1 25 25 ASP H H 25 8.984 8.984 8.537 0.447 19449 3152 1 8 . 1 1 26 26 LEU N N 26 125.128 125.128 125.647 -0.519 19449 3153 1 8 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.157 -0.067 19449 3154 1 8 . 1 1 26 26 LEU C C 26 177.615 177.615 177.667 -0.052 19449 3155 1 8 . 1 1 26 26 LEU CA C 26 56.409 56.409 57.069 -0.660 19449 3156 1 8 . 1 1 26 26 LEU CB C 26 42.808 42.808 42.147 0.661 19449 3157 1 8 . 1 1 26 26 LEU H H 26 8.493 8.493 8.716 -0.223 19449 3158 1 8 . 1 1 27 27 VAL N N 27 116.931 116.931 112.570 4.361 19449 3159 1 8 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.189 -0.177 19449 3160 1 8 . 1 1 27 27 VAL C C 27 176.064 176.064 177.224 -1.160 19449 3161 1 8 . 1 1 27 27 VAL CA C 27 62.772 62.772 62.118 0.654 19449 3162 1 8 . 1 1 27 27 VAL CB C 27 34.397 34.397 32.929 1.468 19449 3163 1 8 . 1 1 27 27 VAL H H 27 8.111 8.111 7.789 0.322 19449 3164 1 8 . 1 1 28 28 GLY N N 28 111.338 111.338 109.392 1.946 19449 3165 1 8 . 1 1 28 28 GLY C C 28 174.054 174.054 175.157 -1.103 19449 3166 1 8 . 1 1 28 28 GLY CA C 28 45.634 45.634 45.628 0.006 19449 3167 1 8 . 1 1 28 28 GLY H H 28 8.947 8.947 8.420 0.527 19449 3168 1 8 . 1 1 29 29 ASP N N 29 119.343 119.343 122.472 -3.129 19449 3169 1 8 . 1 1 29 29 ASP C C 29 175.806 175.806 176.622 -0.816 19449 3170 1 8 . 1 1 29 29 ASP CA C 29 52.520 52.520 55.945 -3.425 19449 3171 1 8 . 1 1 29 29 ASP CB C 29 41.120 41.120 41.074 0.046 19449 3172 1 8 . 1 1 29 29 ASP H H 29 7.802 7.802 8.379 -0.577 19449 3173 1 8 . 1 1 30 30 GLN N N 30 116.835 116.835 118.494 -1.659 19449 3174 1 8 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.310 -0.729 19449 3175 1 8 . 1 1 30 30 GLN C C 30 174.351 174.351 176.135 -1.784 19449 3176 1 8 . 1 1 30 30 GLN CA C 30 57.299 57.299 56.354 0.945 19449 3177 1 8 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.511 -2.161 19449 3178 1 8 . 1 1 30 30 GLN H H 30 9.284 9.284 8.042 1.242 19449 3179 1 8 . 1 1 31 31 ASP N N 31 114.773 114.773 123.751 -8.978 19449 3180 1 8 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.758 -0.001 19449 3181 1 8 . 1 1 31 31 ASP C C 31 174.994 174.994 175.103 -0.109 19449 3182 1 8 . 1 1 31 31 ASP CA C 31 53.587 53.587 54.463 -0.876 19449 3183 1 8 . 1 1 31 31 ASP CB C 31 42.674 42.674 38.279 4.396 19449 3184 1 8 . 1 1 31 31 ASP H H 31 7.762 7.762 8.693 -0.931 19449 3185 1 8 . 1 1 32 32 HIS N N 32 116.715 116.715 120.666 -3.951 19449 3186 1 8 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.850 -0.031 19449 3187 1 8 . 1 1 32 32 HIS CA C 32 55.006 55.006 55.450 -0.445 19449 3188 1 8 . 1 1 32 32 HIS CB C 32 30.246 30.246 31.326 -1.080 19449 3189 1 8 . 1 1 32 32 HIS H H 32 7.364 7.364 8.217 -0.853 19449 3190 1 8 . 1 1 33 33 TYR N N 33 118.888 118.888 127.694 -8.806 19449 3191 1 8 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.665 0.616 19449 3192 1 8 . 1 1 33 33 TYR C C 33 175.344 175.344 173.960 1.384 19449 3193 1 8 . 1 1 33 33 TYR CA C 33 57.486 57.486 57.642 -0.156 19449 3194 1 8 . 1 1 33 33 TYR CB C 33 42.046 42.046 40.388 1.658 19449 3195 1 8 . 1 1 33 33 TYR H H 33 7.979 7.979 8.917 -0.938 19449 3196 1 8 . 1 1 34 34 ALA N N 34 124.471 124.471 128.075 -3.604 19449 3197 1 8 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.579 0.400 19449 3198 1 8 . 1 1 34 34 ALA C C 34 175.399 175.399 175.407 -0.008 19449 3199 1 8 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.956 0.107 19449 3200 1 8 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.275 1.146 19449 3201 1 8 . 1 1 34 34 ALA H H 34 9.214 9.214 8.621 0.593 19449 3202 1 8 . 1 1 35 35 LEU N N 35 124.614 124.614 128.026 -3.412 19449 3203 1 8 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.635 0.324 19449 3204 1 8 . 1 1 35 35 LEU C C 35 174.694 174.694 174.932 -0.238 19449 3205 1 8 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.423 -1.140 19449 3206 1 8 . 1 1 35 35 LEU CB C 35 45.575 45.575 43.873 1.702 19449 3207 1 8 . 1 1 35 35 LEU H H 35 8.855 8.855 8.851 0.004 19449 3208 1 8 . 1 1 36 36 GLU N N 36 127.949 127.949 126.769 1.180 19449 3209 1 8 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.957 0.277 19449 3210 1 8 . 1 1 36 36 GLU C C 36 174.441 174.441 174.809 -0.368 19449 3211 1 8 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.090 0.707 19449 3212 1 8 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.075 0.533 19449 3213 1 8 . 1 1 36 36 GLU H H 36 9.085 9.085 8.668 0.417 19449 3214 1 8 . 1 1 37 37 ILE N N 37 123.414 123.414 125.206 -1.792 19449 3215 1 8 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.823 0.372 19449 3216 1 8 . 1 1 37 37 ILE C C 37 172.644 172.644 173.606 -0.962 19449 3217 1 8 . 1 1 37 37 ILE CA C 37 58.298 58.298 58.856 -0.558 19449 3218 1 8 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.900 -0.249 19449 3219 1 8 . 1 1 37 37 ILE H H 37 8.709 8.709 7.750 0.959 19449 3220 1 8 . 1 1 38 38 SER N N 38 123.499 123.499 121.332 2.167 19449 3221 1 8 . 1 1 38 38 SER HA H 38 5.989 5.989 5.079 0.910 19449 3222 1 8 . 1 1 38 38 SER C C 38 173.645 173.645 173.142 0.503 19449 3223 1 8 . 1 1 38 38 SER CA C 38 55.428 55.428 56.218 -0.790 19449 3224 1 8 . 1 1 38 38 SER CB C 38 64.017 64.017 65.243 -1.226 19449 3225 1 8 . 1 1 38 38 SER H H 38 8.843 8.843 8.327 0.516 19449 3226 1 8 . 1 1 39 39 ASP N N 39 122.449 122.449 124.850 -2.401 19449 3227 1 8 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.860 -0.422 19449 3228 1 8 . 1 1 39 39 ASP C C 39 175.131 175.131 174.567 0.564 19449 3229 1 8 . 1 1 39 39 ASP CA C 39 55.009 55.009 53.056 1.953 19449 3230 1 8 . 1 1 39 39 ASP CB C 39 46.600 46.600 43.073 3.527 19449 3231 1 8 . 1 1 39 39 ASP H H 39 8.211 8.211 7.894 0.317 19449 3232 1 8 . 1 1 40 40 ALA N N 40 129.616 129.616 120.082 9.534 19449 3233 1 8 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.752 -0.383 19449 3234 1 8 . 1 1 40 40 ALA C C 40 180.467 180.467 177.112 3.355 19449 3235 1 8 . 1 1 40 40 ALA CA C 40 53.868 53.868 53.013 0.855 19449 3236 1 8 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.996 -0.624 19449 3237 1 8 . 1 1 40 40 ALA H H 40 8.730 8.730 8.429 0.301 19449 3238 1 8 . 1 1 41 41 GLN N N 41 119.804 119.804 117.190 2.614 19449 3239 1 8 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.344 -0.374 19449 3240 1 8 . 1 1 41 41 GLN C C 41 176.767 176.767 177.255 -0.488 19449 3241 1 8 . 1 1 41 41 GLN CA C 41 58.257 58.257 55.734 2.523 19449 3242 1 8 . 1 1 41 41 GLN CB C 41 29.807 29.807 29.661 0.146 19449 3243 1 8 . 1 1 41 41 GLN H H 41 10.188 10.188 8.031 2.157 19449 3244 1 8 . 1 1 42 42 PHE N N 42 114.111 114.111 121.309 -7.198 19449 3245 1 8 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.303 0.256 19449 3246 1 8 . 1 1 42 42 PHE C C 42 176.183 176.183 176.192 -0.009 19449 3247 1 8 . 1 1 42 42 PHE CA C 42 55.829 55.829 57.694 -1.865 19449 3248 1 8 . 1 1 42 42 PHE CB C 42 37.612 37.612 37.356 0.256 19449 3249 1 8 . 1 1 42 42 PHE H H 42 7.010 7.010 8.252 -1.242 19449 3250 1 8 . 1 1 43 43 ASN N N 43 118.260 118.260 118.359 -0.099 19449 3251 1 8 . 1 1 43 43 ASN HA H 43 4.292 4.292 3.841 0.451 19449 3252 1 8 . 1 1 43 43 ASN C C 43 176.455 176.455 176.571 -0.116 19449 3253 1 8 . 1 1 43 43 ASN CA C 43 55.282 55.282 55.102 0.180 19449 3254 1 8 . 1 1 43 43 ASN CB C 43 37.930 37.930 37.907 0.023 19449 3255 1 8 . 1 1 43 43 ASN H H 43 7.528 7.528 8.255 -0.727 19449 3256 1 8 . 1 1 44 44 GLY N N 44 111.528 111.528 106.895 4.633 19449 3257 1 8 . 1 1 44 44 GLY C C 44 173.888 173.888 173.276 0.612 19449 3258 1 8 . 1 1 44 44 GLY CA C 44 45.606 45.606 45.126 0.480 19449 3259 1 8 . 1 1 44 44 GLY H H 44 8.697 8.697 7.617 1.080 19449 3260 1 8 . 1 1 45 45 LEU N N 45 120.387 120.387 118.930 1.457 19449 3261 1 8 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.771 -0.022 19449 3262 1 8 . 1 1 45 45 LEU C C 45 178.175 178.175 174.863 3.312 19449 3263 1 8 . 1 1 45 45 LEU CA C 45 53.328 53.328 53.653 -0.325 19449 3264 1 8 . 1 1 45 45 LEU CB C 45 44.992 44.992 45.729 -0.737 19449 3265 1 8 . 1 1 45 45 LEU H H 45 7.565 7.565 7.505 0.060 19449 3266 1 8 . 1 1 46 46 SER N N 46 118.894 118.894 114.279 4.615 19449 3267 1 8 . 1 1 46 46 SER HA H 46 4.313 4.313 4.722 -0.409 19449 3268 1 8 . 1 1 46 46 SER C C 46 174.896 174.896 175.006 -0.110 19449 3269 1 8 . 1 1 46 46 SER CA C 46 57.022 57.022 56.443 0.579 19449 3270 1 8 . 1 1 46 46 SER CB C 46 64.252 64.252 65.240 -0.989 19449 3271 1 8 . 1 1 46 46 SER H H 46 8.896 8.896 8.154 0.742 19449 3272 1 8 . 1 1 47 47 LEU N N 47 124.460 124.460 122.702 1.758 19449 3273 1 8 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.457 -0.834 19449 3274 1 8 . 1 1 47 47 LEU C C 47 179.220 179.220 179.211 0.009 19449 3275 1 8 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.869 1.263 19449 3276 1 8 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.348 0.341 19449 3277 1 8 . 1 1 47 47 LEU H H 47 8.720 8.720 8.869 -0.149 19449 3278 1 8 . 1 1 48 48 ILE N N 48 115.654 115.654 119.662 -4.008 19449 3279 1 8 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.886 -0.256 19449 3280 1 8 . 1 1 48 48 ILE C C 48 178.433 178.433 177.859 0.574 19449 3281 1 8 . 1 1 48 48 ILE CA C 48 64.200 64.200 64.306 -0.106 19449 3282 1 8 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.525 1.374 19449 3283 1 8 . 1 1 48 48 ILE H H 48 7.920 7.920 7.794 0.126 19449 3284 1 8 . 1 1 49 49 ASN N N 49 120.529 120.529 118.495 2.034 19449 3285 1 8 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.525 0.126 19449 3286 1 8 . 1 1 49 49 ASN C C 49 178.478 178.478 178.347 0.131 19449 3287 1 8 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.359 -0.663 19449 3288 1 8 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.795 0.099 19449 3289 1 8 . 1 1 49 49 ASN H H 49 7.449 7.449 8.374 -0.925 19449 3290 1 8 . 1 1 50 50 GLN N N 50 122.483 122.483 119.449 3.034 19449 3291 1 8 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.190 -0.331 19449 3292 1 8 . 1 1 50 50 GLN C C 50 177.657 177.657 178.543 -0.886 19449 3293 1 8 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.570 0.076 19449 3294 1 8 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.966 -1.045 19449 3295 1 8 . 1 1 50 50 GLN H H 50 8.664 8.664 8.830 -0.166 19449 3296 1 8 . 1 1 51 51 HIS N N 51 116.297 116.297 118.296 -1.999 19449 3297 1 8 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.534 -0.663 19449 3298 1 8 . 1 1 51 51 HIS CA C 51 59.635 59.635 59.007 0.628 19449 3299 1 8 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.306 -0.195 19449 3300 1 8 . 1 1 51 51 HIS H H 51 8.206 8.206 7.845 0.361 19449 3301 1 8 . 1 1 52 52 LYS N N 52 120.443 120.443 119.737 0.706 19449 3302 1 8 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.253 -0.399 19449 3303 1 8 . 1 1 52 52 LYS C C 52 178.162 178.162 178.723 -0.561 19449 3304 1 8 . 1 1 52 52 LYS CA C 52 60.085 60.085 58.985 1.100 19449 3305 1 8 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.906 -0.254 19449 3306 1 8 . 1 1 52 52 LYS H H 52 8.282 8.282 8.125 0.157 19449 3307 1 8 . 1 1 53 53 LEU N N 53 117.663 117.663 120.331 -2.668 19449 3308 1 8 . 1 1 53 53 LEU HA H 53 4.121 4.121 3.999 0.122 19449 3309 1 8 . 1 1 53 53 LEU C C 53 180.570 180.570 178.609 1.961 19449 3310 1 8 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.200 -0.012 19449 3311 1 8 . 1 1 53 53 LEU CB C 53 42.854 42.854 42.147 0.708 19449 3312 1 8 . 1 1 53 53 LEU H H 53 7.528 7.528 8.464 -0.936 19449 3313 1 8 . 1 1 54 54 VAL N N 54 118.963 118.963 113.859 5.104 19449 3314 1 8 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.681 -0.031 19449 3315 1 8 . 1 1 54 54 VAL C C 54 177.185 177.185 177.289 -0.104 19449 3316 1 8 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.246 0.433 19449 3317 1 8 . 1 1 54 54 VAL CB C 54 31.630 31.630 31.433 0.197 19449 3318 1 8 . 1 1 54 54 VAL H H 54 7.286 7.286 7.689 -0.403 19449 3319 1 8 . 1 1 55 55 LYS N N 55 119.061 119.061 117.902 1.159 19449 3320 1 8 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.233 -0.648 19449 3321 1 8 . 1 1 55 55 LYS C C 55 179.976 179.976 178.375 1.601 19449 3322 1 8 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.177 2.689 19449 3323 1 8 . 1 1 55 55 LYS CB C 55 31.743 31.743 31.918 -0.175 19449 3324 1 8 . 1 1 55 55 LYS H H 55 8.539 8.539 7.755 0.784 19449 3325 1 8 . 1 1 56 56 ASN N N 56 117.807 117.807 117.737 0.070 19449 3326 1 8 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.720 -0.372 19449 3327 1 8 . 1 1 56 56 ASN C C 56 178.363 178.363 177.441 0.922 19449 3328 1 8 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.538 0.386 19449 3329 1 8 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.945 -1.302 19449 3330 1 8 . 1 1 56 56 ASN H H 56 8.640 8.640 8.122 0.518 19449 3331 1 8 . 1 1 57 57 ALA N N 57 122.142 122.142 122.915 -0.773 19449 3332 1 8 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.058 0.095 19449 3333 1 8 . 1 1 57 57 ALA C C 57 178.976 178.976 177.429 1.547 19449 3334 1 8 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.580 -0.076 19449 3335 1 8 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.881 0.122 19449 3336 1 8 . 1 1 57 57 ALA H H 57 7.436 7.436 8.400 -0.964 19449 3337 1 8 . 1 1 58 58 LEU N N 58 115.109 115.109 109.608 5.501 19449 3338 1 8 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.644 -0.300 19449 3339 1 8 . 1 1 58 58 LEU C C 58 177.792 177.792 176.557 1.235 19449 3340 1 8 . 1 1 58 58 LEU CA C 58 53.791 53.791 54.367 -0.577 19449 3341 1 8 . 1 1 58 58 LEU CB C 58 42.566 42.566 41.666 0.900 19449 3342 1 8 . 1 1 58 58 LEU H H 58 7.458 7.458 7.213 0.245 19449 3343 1 8 . 1 1 59 59 SER N N 59 117.442 117.442 115.752 1.690 19449 3344 1 8 . 1 1 59 59 SER HA H 59 3.967 3.967 4.380 -0.413 19449 3345 1 8 . 1 1 59 59 SER C C 59 175.721 175.721 175.712 0.009 19449 3346 1 8 . 1 1 59 59 SER CA C 59 62.464 62.464 60.346 2.118 19449 3347 1 8 . 1 1 59 59 SER CB C 59 63.058 63.058 63.278 -0.220 19449 3348 1 8 . 1 1 59 59 SER H H 59 7.559 7.559 8.123 -0.564 19449 3349 1 8 . 1 1 60 60 GLU N N 60 118.774 118.774 119.980 -1.206 19449 3350 1 8 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.283 -0.134 19449 3351 1 8 . 1 1 60 60 GLU C C 60 177.223 177.223 177.732 -0.509 19449 3352 1 8 . 1 1 60 60 GLU CA C 60 58.231 58.231 57.941 0.290 19449 3353 1 8 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.670 0.141 19449 3354 1 8 . 1 1 60 60 GLU H H 60 8.491 8.491 8.164 0.327 19449 3355 1 8 . 1 1 61 61 ILE N N 61 112.097 112.097 118.732 -6.635 19449 3356 1 8 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.022 0.238 19449 3357 1 8 . 1 1 61 61 ILE C C 61 177.352 177.352 175.516 1.836 19449 3358 1 8 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.816 -0.382 19449 3359 1 8 . 1 1 61 61 ILE CB C 61 39.900 39.900 38.554 1.346 19449 3360 1 8 . 1 1 61 61 ILE H H 61 7.582 7.582 7.774 -0.192 19449 3361 1 8 . 1 1 62 62 LEU N N 62 124.848 124.848 116.576 8.272 19449 3362 1 8 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.103 0.090 19449 3363 1 8 . 1 1 62 62 LEU C C 62 177.476 177.476 177.187 0.289 19449 3364 1 8 . 1 1 62 62 LEU CA C 62 56.609 56.609 54.951 1.658 19449 3365 1 8 . 1 1 62 62 LEU CB C 62 41.516 41.516 38.961 2.555 19449 3366 1 8 . 1 1 62 62 LEU H H 62 8.113 8.113 7.414 0.699 19449 3367 1 8 . 1 1 63 63 ASN N N 63 117.202 117.202 116.025 1.177 19449 3368 1 8 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.385 -0.134 19449 3369 1 8 . 1 1 63 63 ASN C C 63 174.911 174.911 175.964 -1.053 19449 3370 1 8 . 1 1 63 63 ASN CA C 63 55.685 55.685 55.337 0.348 19449 3371 1 8 . 1 1 63 63 ASN CB C 63 37.948 37.948 38.568 -0.620 19449 3372 1 8 . 1 1 63 63 ASN H H 63 8.507 8.507 8.495 0.012 19449 3373 1 8 . 1 1 64 64 LYS N N 64 118.109 118.109 120.144 -2.035 19449 3374 1 8 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.298 -0.033 19449 3375 1 8 . 1 1 64 64 LYS C C 64 175.964 175.964 176.239 -0.275 19449 3376 1 8 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.806 1.786 19449 3377 1 8 . 1 1 64 64 LYS CB C 64 33.841 33.841 33.325 0.516 19449 3378 1 8 . 1 1 64 64 LYS H H 64 7.691 7.691 8.175 -0.484 19449 3379 1 8 . 1 1 65 65 LYS N N 65 116.060 116.060 121.698 -5.638 19449 3380 1 8 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.131 0.198 19449 3381 1 8 . 1 1 65 65 LYS C C 65 174.912 174.912 177.734 -2.822 19449 3382 1 8 . 1 1 65 65 LYS CA C 65 56.422 56.422 56.822 -0.400 19449 3383 1 8 . 1 1 65 65 LYS CB C 65 34.292 34.292 32.690 1.602 19449 3384 1 8 . 1 1 65 65 LYS H H 65 7.805 7.805 8.333 -0.528 19449 3385 1 8 . 1 1 66 66 LEU N N 66 118.796 118.796 122.418 -3.622 19449 3386 1 8 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.498 -0.015 19449 3387 1 8 . 1 1 66 66 LEU CA C 66 54.089 54.089 55.040 -0.951 19449 3388 1 8 . 1 1 66 66 LEU CB C 66 43.732 43.732 38.994 4.738 19449 3389 1 8 . 1 1 66 66 LEU H H 66 7.386 7.386 8.494 -1.108 19449 3390 1 8 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.745 -0.214 19449 3391 1 8 . 1 1 67 67 HIS CA C 67 57.560 57.560 54.823 2.737 19449 3392 1 8 . 1 1 67 67 HIS CB C 67 29.560 29.560 31.988 -2.428 19449 3393 1 8 . 1 1 68 68 SER N N 68 113.247 113.247 115.510 -2.263 19449 3394 1 8 . 1 1 68 68 SER HA H 68 4.521 4.521 4.870 -0.349 19449 3395 1 8 . 1 1 68 68 SER C C 68 172.449 172.449 173.296 -0.847 19449 3396 1 8 . 1 1 68 68 SER CA C 68 57.887 57.887 57.887 0.000 19449 3397 1 8 . 1 1 68 68 SER CB C 68 63.781 63.781 64.288 -0.507 19449 3398 1 8 . 1 1 68 68 SER H H 68 7.505 7.505 8.581 -1.076 19449 3399 1 8 . 1 1 69 69 ILE N N 69 122.511 122.511 119.676 2.835 19449 3400 1 8 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.645 0.315 19449 3401 1 8 . 1 1 69 69 ILE C C 69 173.796 173.796 174.457 -0.661 19449 3402 1 8 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.306 -0.052 19449 3403 1 8 . 1 1 69 69 ILE CB C 69 41.297 41.297 40.027 1.270 19449 3404 1 8 . 1 1 69 69 ILE H H 69 8.172 8.172 8.175 -0.003 19449 3405 1 8 . 1 1 70 70 SER N N 70 122.242 122.242 115.445 6.797 19449 3406 1 8 . 1 1 70 70 SER HA H 70 4.683 4.683 4.738 -0.055 19449 3407 1 8 . 1 1 70 70 SER C C 70 173.443 173.443 173.930 -0.487 19449 3408 1 8 . 1 1 70 70 SER CA C 70 56.687 56.687 58.083 -1.395 19449 3409 1 8 . 1 1 70 70 SER CB C 70 64.027 64.027 64.403 -0.376 19449 3410 1 8 . 1 1 70 70 SER H H 70 8.428 8.428 8.325 0.103 19449 3411 1 8 . 1 1 71 71 ILE N N 71 125.615 125.615 128.628 -3.013 19449 3412 1 8 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.508 -0.339 19449 3413 1 8 . 1 1 71 71 ILE C C 71 173.769 173.769 174.874 -1.105 19449 3414 1 8 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.426 1.165 19449 3415 1 8 . 1 1 71 71 ILE CB C 71 40.978 40.978 38.942 2.036 19449 3416 1 8 . 1 1 71 71 ILE H H 71 8.615 8.615 8.311 0.304 19449 3417 1 8 . 1 1 72 72 LYS N N 72 129.141 129.141 129.115 0.026 19449 3418 1 8 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.548 0.080 19449 3419 1 8 . 1 1 72 72 LYS C C 72 174.425 174.425 175.733 -1.308 19449 3420 1 8 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.274 0.004 19449 3421 1 8 . 1 1 72 72 LYS CB C 72 35.146 35.146 34.689 0.457 19449 3422 1 8 . 1 1 72 72 LYS H H 72 8.419 8.419 9.049 -0.630 19449 3423 1 8 . 1 1 73 73 THR N N 73 116.054 116.054 117.134 -1.080 19449 3424 1 8 . 1 1 73 73 THR HA H 73 4.695 4.695 4.351 0.344 19449 3425 1 8 . 1 1 73 73 THR C C 73 174.550 174.550 174.021 0.529 19449 3426 1 8 . 1 1 73 73 THR CA C 73 58.793 58.793 61.586 -2.793 19449 3427 1 8 . 1 1 73 73 THR CB C 73 68.752 68.752 69.342 -0.590 19449 3428 1 8 . 1 1 73 73 THR H H 73 8.258 8.258 8.375 -0.117 19449 3429 1 8 . 1 1 74 74 ILE N N 74 124.787 124.787 126.293 -1.506 19449 3430 1 8 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.410 -0.179 19449 3431 1 8 . 1 1 74 74 ILE C C 74 175.033 175.033 174.102 0.931 19449 3432 1 8 . 1 1 74 74 ILE CA C 74 60.813 60.813 59.835 0.978 19449 3433 1 8 . 1 1 74 74 ILE CB C 74 40.771 40.771 42.208 -1.437 19449 3434 1 8 . 1 1 74 74 ILE H H 74 8.655 8.655 7.800 0.855 19449 3435 1 8 . 1 1 75 75 SER N N 75 121.778 121.778 118.838 2.940 19449 3436 1 8 . 1 1 75 75 SER HA H 75 4.574 4.574 5.523 -0.949 19449 3437 1 8 . 1 1 75 75 SER C C 75 173.153 173.153 173.955 -0.802 19449 3438 1 8 . 1 1 75 75 SER CA C 75 58.586 58.586 56.438 2.148 19449 3439 1 8 . 1 1 75 75 SER CB C 75 64.245 64.245 65.181 -0.936 19449 3440 1 8 . 1 1 75 75 SER H H 75 8.306 8.306 8.379 -0.073 19449 3441 1 9 . 1 1 2 2 ALA N N 2 124.143 124.143 126.240 -2.097 19449 3442 1 9 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.790 -0.356 19449 3443 1 9 . 1 1 2 2 ALA C C 2 177.129 177.129 176.807 0.322 19449 3444 1 9 . 1 1 2 2 ALA CA C 2 52.125 52.125 51.680 0.445 19449 3445 1 9 . 1 1 2 2 ALA CB C 2 20.239 20.239 19.981 0.258 19449 3446 1 9 . 1 1 2 2 ALA H H 2 7.998 7.998 8.134 -0.136 19449 3447 1 9 . 1 1 3 3 ILE N N 3 120.462 120.462 119.607 0.855 19449 3448 1 9 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.240 0.104 19449 3449 1 9 . 1 1 3 3 ILE C C 3 173.994 173.994 175.867 -1.873 19449 3450 1 9 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.596 -1.038 19449 3451 1 9 . 1 1 3 3 ILE CB C 3 39.826 39.826 39.413 0.413 19449 3452 1 9 . 1 1 3 3 ILE H H 3 8.659 8.659 8.366 0.293 19449 3453 1 9 . 1 1 4 4 SER N N 4 122.216 122.216 120.619 1.597 19449 3454 1 9 . 1 1 4 4 SER HA H 4 4.532 4.532 4.313 0.219 19449 3455 1 9 . 1 1 4 4 SER C C 4 174.562 174.562 175.983 -1.421 19449 3456 1 9 . 1 1 4 4 SER CA C 4 57.162 57.162 59.029 -1.867 19449 3457 1 9 . 1 1 4 4 SER CB C 4 65.966 65.966 63.992 1.974 19449 3458 1 9 . 1 1 4 4 SER H H 4 8.376 8.376 8.522 -0.146 19449 3459 1 9 . 1 1 5 5 ALA N N 5 124.531 124.531 127.868 -3.337 19449 3460 1 9 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.828 -0.303 19449 3461 1 9 . 1 1 5 5 ALA C C 5 179.834 179.834 178.628 1.206 19449 3462 1 9 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.472 1.044 19449 3463 1 9 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.739 -0.689 19449 3464 1 9 . 1 1 5 5 ALA H H 5 8.986 8.986 8.756 0.230 19449 3465 1 9 . 1 1 6 6 GLU N N 6 117.333 117.333 116.001 1.332 19449 3466 1 9 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.262 -0.340 19449 3467 1 9 . 1 1 6 6 GLU C C 6 179.125 179.125 177.912 1.213 19449 3468 1 9 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.531 1.214 19449 3469 1 9 . 1 1 6 6 GLU CB C 6 29.270 29.270 29.078 0.192 19449 3470 1 9 . 1 1 6 6 GLU H H 6 8.526 8.526 8.600 -0.074 19449 3471 1 9 . 1 1 7 7 GLU N N 7 120.933 120.933 118.937 1.996 19449 3472 1 9 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.256 -0.382 19449 3473 1 9 . 1 1 7 7 GLU C C 7 178.705 178.705 178.183 0.522 19449 3474 1 9 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.563 1.453 19449 3475 1 9 . 1 1 7 7 GLU CB C 7 29.609 29.609 30.017 -0.408 19449 3476 1 9 . 1 1 7 7 GLU H H 7 7.696 7.696 7.670 0.026 19449 3477 1 9 . 1 1 8 8 LEU N N 8 120.345 120.345 120.273 0.072 19449 3478 1 9 . 1 1 8 8 LEU HA H 8 3.728 3.728 3.955 -0.227 19449 3479 1 9 . 1 1 8 8 LEU C C 8 177.984 177.984 177.700 0.284 19449 3480 1 9 . 1 1 8 8 LEU CA C 8 57.938 57.938 58.215 -0.277 19449 3481 1 9 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.893 -0.150 19449 3482 1 9 . 1 1 8 8 LEU H H 8 8.092 8.092 7.360 0.732 19449 3483 1 9 . 1 1 9 9 GLU N N 9 118.656 118.656 115.862 2.794 19449 3484 1 9 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.955 -0.427 19449 3485 1 9 . 1 1 9 9 GLU C C 9 177.280 177.280 178.089 -0.809 19449 3486 1 9 . 1 1 9 9 GLU CA C 9 60.629 60.629 58.941 1.688 19449 3487 1 9 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.823 0.320 19449 3488 1 9 . 1 1 9 9 GLU H H 9 8.104 8.104 8.370 -0.266 19449 3489 1 9 . 1 1 10 10 LYS N N 10 117.661 117.661 118.953 -1.292 19449 3490 1 9 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.074 -0.301 19449 3491 1 9 . 1 1 10 10 LYS C C 10 179.895 179.895 178.807 1.088 19449 3492 1 9 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.771 1.150 19449 3493 1 9 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.841 0.546 19449 3494 1 9 . 1 1 10 10 LYS H H 10 7.565 7.565 7.890 -0.325 19449 3495 1 9 . 1 1 11 11 ILE N N 11 119.359 119.359 118.226 1.133 19449 3496 1 9 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.825 -0.209 19449 3497 1 9 . 1 1 11 11 ILE C C 11 179.908 179.908 178.256 1.652 19449 3498 1 9 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.193 0.787 19449 3499 1 9 . 1 1 11 11 ILE CB C 11 38.415 38.415 37.986 0.429 19449 3500 1 9 . 1 1 11 11 ILE H H 11 7.894 7.894 7.223 0.671 19449 3501 1 9 . 1 1 12 12 LEU N N 12 121.478 121.478 119.895 1.583 19449 3502 1 9 . 1 1 12 12 LEU HA H 12 3.973 3.973 4.012 -0.039 19449 3503 1 9 . 1 1 12 12 LEU C C 12 179.346 179.346 178.411 0.935 19449 3504 1 9 . 1 1 12 12 LEU CA C 12 58.306 58.306 56.898 1.408 19449 3505 1 9 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.412 1.441 19449 3506 1 9 . 1 1 12 12 LEU H H 12 8.180 8.180 7.424 0.756 19449 3507 1 9 . 1 1 13 13 LYS N N 13 119.072 119.072 119.243 -0.171 19449 3508 1 9 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.313 -0.522 19449 3509 1 9 . 1 1 13 13 LYS C C 13 177.763 177.763 178.002 -0.239 19449 3510 1 9 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.234 -0.339 19449 3511 1 9 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.205 -0.125 19449 3512 1 9 . 1 1 13 13 LYS H H 13 8.648 8.648 8.211 0.437 19449 3513 1 9 . 1 1 14 14 LYS N N 14 116.972 116.972 119.180 -2.208 19449 3514 1 9 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.016 -0.053 19449 3515 1 9 . 1 1 14 14 LYS C C 14 178.525 178.525 177.875 0.650 19449 3516 1 9 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.783 0.397 19449 3517 1 9 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.120 -0.018 19449 3518 1 9 . 1 1 14 14 LYS H H 14 7.225 7.225 7.444 -0.219 19449 3519 1 9 . 1 1 15 15 SER N N 15 111.938 111.938 111.912 0.026 19449 3520 1 9 . 1 1 15 15 SER HA H 15 4.206 4.206 4.271 -0.065 19449 3521 1 9 . 1 1 15 15 SER C C 15 172.812 172.812 174.274 -1.462 19449 3522 1 9 . 1 1 15 15 SER CA C 15 60.745 60.745 58.809 1.935 19449 3523 1 9 . 1 1 15 15 SER CB C 15 64.381 64.381 63.804 0.577 19449 3524 1 9 . 1 1 15 15 SER H H 15 6.913 6.913 7.697 -0.784 19449 3525 1 9 . 1 1 16 16 PHE N N 16 118.448 118.448 120.752 -2.304 19449 3526 1 9 . 1 1 16 16 PHE HA H 16 4.856 4.856 4.991 -0.135 19449 3527 1 9 . 1 1 16 16 PHE CA C 16 54.828 54.828 53.731 1.097 19449 3528 1 9 . 1 1 16 16 PHE CB C 16 37.569 37.569 37.696 -0.127 19449 3529 1 9 . 1 1 16 16 PHE H H 16 8.222 8.222 7.831 0.391 19449 3530 1 9 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.357 0.216 19449 3531 1 9 . 1 1 17 17 PRO C C 17 178.807 178.807 177.509 1.298 19449 3532 1 9 . 1 1 17 17 PRO CA C 17 65.800 65.800 65.172 0.628 19449 3533 1 9 . 1 1 17 17 PRO CB C 17 32.018 32.018 32.004 0.014 19449 3534 1 9 . 1 1 18 18 SER N N 18 116.179 116.179 114.278 1.901 19449 3535 1 9 . 1 1 18 18 SER HA H 18 4.716 4.716 4.349 0.367 19449 3536 1 9 . 1 1 18 18 SER C C 18 174.085 174.085 174.606 -0.521 19449 3537 1 9 . 1 1 18 18 SER CA C 18 57.161 57.161 59.837 -2.676 19449 3538 1 9 . 1 1 18 18 SER CB C 18 63.144 63.144 63.177 -0.033 19449 3539 1 9 . 1 1 18 18 SER H H 18 9.427 9.427 8.414 1.013 19449 3540 1 9 . 1 1 19 19 SER N N 19 116.639 116.639 116.565 0.074 19449 3541 1 9 . 1 1 19 19 SER HA H 19 4.750 4.750 4.598 0.152 19449 3542 1 9 . 1 1 19 19 SER C C 19 175.392 175.392 174.284 1.108 19449 3543 1 9 . 1 1 19 19 SER CA C 19 58.398 58.398 58.708 -0.310 19449 3544 1 9 . 1 1 19 19 SER CB C 19 66.246 66.246 64.080 2.166 19449 3545 1 9 . 1 1 19 19 SER H H 19 7.303 7.303 7.791 -0.488 19449 3546 1 9 . 1 1 20 20 VAL N N 20 119.200 119.200 125.013 -5.813 19449 3547 1 9 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.267 -0.116 19449 3548 1 9 . 1 1 20 20 VAL C C 20 175.866 175.866 174.944 0.922 19449 3549 1 9 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.787 0.846 19449 3550 1 9 . 1 1 20 20 VAL CB C 20 33.213 33.213 32.322 0.891 19449 3551 1 9 . 1 1 20 20 VAL H H 20 8.354 8.354 8.185 0.169 19449 3552 1 9 . 1 1 21 21 ILE N N 21 128.342 128.342 129.744 -1.402 19449 3553 1 9 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.369 0.316 19449 3554 1 9 . 1 1 21 21 ILE C C 21 174.757 174.757 175.597 -0.840 19449 3555 1 9 . 1 1 21 21 ILE CA C 21 60.521 60.521 60.894 -0.373 19449 3556 1 9 . 1 1 21 21 ILE CB C 21 41.455 41.455 38.798 2.657 19449 3557 1 9 . 1 1 21 21 ILE H H 21 8.668 8.668 8.486 0.182 19449 3558 1 9 . 1 1 22 22 LYS N N 22 128.866 128.866 127.525 1.341 19449 3559 1 9 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.646 -0.103 19449 3560 1 9 . 1 1 22 22 LYS C C 22 174.900 174.900 174.608 0.292 19449 3561 1 9 . 1 1 22 22 LYS CA C 22 55.561 55.561 55.000 0.561 19449 3562 1 9 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.403 -0.913 19449 3563 1 9 . 1 1 22 22 LYS H H 22 9.004 9.004 8.074 0.930 19449 3564 1 9 . 1 1 23 23 ILE N N 23 127.570 127.570 122.730 4.840 19449 3565 1 9 . 1 1 23 23 ILE HA H 23 4.817 4.817 5.013 -0.196 19449 3566 1 9 . 1 1 23 23 ILE C C 23 175.206 175.206 176.038 -0.832 19449 3567 1 9 . 1 1 23 23 ILE CA C 23 60.258 60.258 59.999 0.259 19449 3568 1 9 . 1 1 23 23 ILE CB C 23 40.379 40.379 41.378 -0.999 19449 3569 1 9 . 1 1 23 23 ILE H H 23 8.869 8.869 8.390 0.479 19449 3570 1 9 . 1 1 24 24 THR N N 24 122.480 122.480 122.257 0.223 19449 3571 1 9 . 1 1 24 24 THR HA H 24 4.532 4.532 4.602 -0.070 19449 3572 1 9 . 1 1 24 24 THR C C 24 173.003 173.003 172.920 0.083 19449 3573 1 9 . 1 1 24 24 THR CA C 24 61.182 61.182 61.419 -0.237 19449 3574 1 9 . 1 1 24 24 THR CB C 24 71.402 71.402 71.766 -0.364 19449 3575 1 9 . 1 1 24 24 THR H H 24 8.856 8.856 8.446 0.410 19449 3576 1 9 . 1 1 25 25 ASP N N 25 126.508 126.508 127.028 -0.520 19449 3577 1 9 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.866 -0.169 19449 3578 1 9 . 1 1 25 25 ASP C C 25 176.417 176.417 175.502 0.915 19449 3579 1 9 . 1 1 25 25 ASP CA C 25 53.225 53.225 54.483 -1.258 19449 3580 1 9 . 1 1 25 25 ASP CB C 25 40.744 40.744 41.254 -0.510 19449 3581 1 9 . 1 1 25 25 ASP H H 25 8.984 8.984 8.669 0.315 19449 3582 1 9 . 1 1 26 26 LEU N N 26 125.128 125.128 124.917 0.211 19449 3583 1 9 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.589 -0.499 19449 3584 1 9 . 1 1 26 26 LEU C C 26 177.615 177.615 175.561 2.054 19449 3585 1 9 . 1 1 26 26 LEU CA C 26 56.409 56.409 54.826 1.583 19449 3586 1 9 . 1 1 26 26 LEU CB C 26 42.808 42.808 42.849 -0.041 19449 3587 1 9 . 1 1 26 26 LEU H H 26 8.493 8.493 8.533 -0.040 19449 3588 1 9 . 1 1 27 27 VAL N N 27 116.931 116.931 120.304 -3.373 19449 3589 1 9 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.251 -0.239 19449 3590 1 9 . 1 1 27 27 VAL C C 27 176.064 176.064 176.257 -0.193 19449 3591 1 9 . 1 1 27 27 VAL CA C 27 62.772 62.772 62.111 0.661 19449 3592 1 9 . 1 1 27 27 VAL CB C 27 34.397 34.397 33.927 0.470 19449 3593 1 9 . 1 1 27 27 VAL H H 27 8.111 8.111 7.416 0.695 19449 3594 1 9 . 1 1 28 28 GLY N N 28 111.338 111.338 113.413 -2.075 19449 3595 1 9 . 1 1 28 28 GLY C C 28 174.054 174.054 173.723 0.331 19449 3596 1 9 . 1 1 28 28 GLY CA C 28 45.634 45.634 45.366 0.268 19449 3597 1 9 . 1 1 28 28 GLY H H 28 8.947 8.947 8.668 0.279 19449 3598 1 9 . 1 1 29 29 ASP N N 29 119.343 119.343 119.157 0.186 19449 3599 1 9 . 1 1 29 29 ASP C C 29 175.806 175.806 175.976 -0.170 19449 3600 1 9 . 1 1 29 29 ASP CA C 29 52.520 52.520 54.482 -1.962 19449 3601 1 9 . 1 1 29 29 ASP CB C 29 41.120 41.120 41.437 -0.317 19449 3602 1 9 . 1 1 29 29 ASP H H 29 7.802 7.802 7.996 -0.194 19449 3603 1 9 . 1 1 30 30 GLN N N 30 116.835 116.835 119.875 -3.040 19449 3604 1 9 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.386 -0.805 19449 3605 1 9 . 1 1 30 30 GLN C C 30 174.351 174.351 174.457 -0.106 19449 3606 1 9 . 1 1 30 30 GLN CA C 30 57.299 57.299 55.065 2.234 19449 3607 1 9 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.938 -2.588 19449 3608 1 9 . 1 1 30 30 GLN H H 30 9.284 9.284 8.105 1.179 19449 3609 1 9 . 1 1 31 31 ASP N N 31 114.773 114.773 123.638 -8.865 19449 3610 1 9 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.337 0.420 19449 3611 1 9 . 1 1 31 31 ASP C C 31 174.994 174.994 175.028 -0.034 19449 3612 1 9 . 1 1 31 31 ASP CA C 31 53.587 53.587 54.623 -1.036 19449 3613 1 9 . 1 1 31 31 ASP CB C 31 42.674 42.674 39.584 3.090 19449 3614 1 9 . 1 1 31 31 ASP H H 31 7.762 7.762 8.493 -0.731 19449 3615 1 9 . 1 1 32 32 HIS N N 32 116.715 116.715 119.503 -2.788 19449 3616 1 9 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.685 0.134 19449 3617 1 9 . 1 1 32 32 HIS CA C 32 55.006 55.006 55.179 -0.173 19449 3618 1 9 . 1 1 32 32 HIS CB C 32 30.246 30.246 32.195 -1.949 19449 3619 1 9 . 1 1 32 32 HIS H H 32 7.364 7.364 7.622 -0.258 19449 3620 1 9 . 1 1 33 33 TYR N N 33 118.888 118.888 116.448 2.440 19449 3621 1 9 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.697 0.584 19449 3622 1 9 . 1 1 33 33 TYR C C 33 175.344 175.344 174.277 1.067 19449 3623 1 9 . 1 1 33 33 TYR CA C 33 57.486 57.486 57.443 0.043 19449 3624 1 9 . 1 1 33 33 TYR CB C 33 42.046 42.046 42.665 -0.619 19449 3625 1 9 . 1 1 33 33 TYR H H 33 7.979 7.979 8.572 -0.593 19449 3626 1 9 . 1 1 34 34 ALA N N 34 124.471 124.471 124.979 -0.508 19449 3627 1 9 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.650 0.329 19449 3628 1 9 . 1 1 34 34 ALA C C 34 175.399 175.399 175.525 -0.126 19449 3629 1 9 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.660 0.403 19449 3630 1 9 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.764 0.657 19449 3631 1 9 . 1 1 34 34 ALA H H 34 9.214 9.214 8.845 0.369 19449 3632 1 9 . 1 1 35 35 LEU N N 35 124.614 124.614 126.429 -1.815 19449 3633 1 9 . 1 1 35 35 LEU HA H 35 4.959 4.959 5.112 -0.153 19449 3634 1 9 . 1 1 35 35 LEU C C 35 174.694 174.694 175.625 -0.931 19449 3635 1 9 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.421 -1.138 19449 3636 1 9 . 1 1 35 35 LEU CB C 35 45.575 45.575 44.447 1.127 19449 3637 1 9 . 1 1 35 35 LEU H H 35 8.855 8.855 8.869 -0.014 19449 3638 1 9 . 1 1 36 36 GLU N N 36 127.949 127.949 124.579 3.370 19449 3639 1 9 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.535 0.699 19449 3640 1 9 . 1 1 36 36 GLU C C 36 174.441 174.441 174.823 -0.382 19449 3641 1 9 . 1 1 36 36 GLU CA C 36 54.797 54.797 55.113 -0.316 19449 3642 1 9 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.550 0.058 19449 3643 1 9 . 1 1 36 36 GLU H H 36 9.085 9.085 8.570 0.515 19449 3644 1 9 . 1 1 37 37 ILE N N 37 123.414 123.414 126.999 -3.585 19449 3645 1 9 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.810 0.385 19449 3646 1 9 . 1 1 37 37 ILE C C 37 172.644 172.644 173.760 -1.116 19449 3647 1 9 . 1 1 37 37 ILE CA C 37 58.298 58.298 59.305 -1.007 19449 3648 1 9 . 1 1 37 37 ILE CB C 37 41.651 41.651 40.959 0.692 19449 3649 1 9 . 1 1 37 37 ILE H H 37 8.709 8.709 7.883 0.826 19449 3650 1 9 . 1 1 38 38 SER N N 38 123.499 123.499 123.726 -0.227 19449 3651 1 9 . 1 1 38 38 SER HA H 38 5.989 5.989 5.474 0.515 19449 3652 1 9 . 1 1 38 38 SER C C 38 173.645 173.645 172.787 0.858 19449 3653 1 9 . 1 1 38 38 SER CA C 38 55.428 55.428 57.072 -1.644 19449 3654 1 9 . 1 1 38 38 SER CB C 38 64.017 64.017 65.457 -1.440 19449 3655 1 9 . 1 1 38 38 SER H H 38 8.843 8.843 8.128 0.715 19449 3656 1 9 . 1 1 39 39 ASP N N 39 122.449 122.449 124.002 -1.553 19449 3657 1 9 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.828 -0.390 19449 3658 1 9 . 1 1 39 39 ASP C C 39 175.131 175.131 174.008 1.123 19449 3659 1 9 . 1 1 39 39 ASP CA C 39 55.009 55.009 54.472 0.537 19449 3660 1 9 . 1 1 39 39 ASP CB C 39 46.600 46.600 44.794 1.806 19449 3661 1 9 . 1 1 39 39 ASP H H 39 8.211 8.211 8.349 -0.138 19449 3662 1 9 . 1 1 40 40 ALA N N 40 129.616 129.616 122.880 6.736 19449 3663 1 9 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.514 -0.145 19449 3664 1 9 . 1 1 40 40 ALA C C 40 180.467 180.467 177.115 3.352 19449 3665 1 9 . 1 1 40 40 ALA CA C 40 53.868 53.868 53.078 0.790 19449 3666 1 9 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.503 -0.131 19449 3667 1 9 . 1 1 40 40 ALA H H 40 8.730 8.730 8.634 0.096 19449 3668 1 9 . 1 1 41 41 GLN N N 41 119.804 119.804 116.901 2.903 19449 3669 1 9 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.256 -0.286 19449 3670 1 9 . 1 1 41 41 GLN C C 41 176.767 176.767 175.575 1.192 19449 3671 1 9 . 1 1 41 41 GLN CA C 41 58.257 58.257 55.825 2.432 19449 3672 1 9 . 1 1 41 41 GLN CB C 41 29.807 29.807 29.061 0.746 19449 3673 1 9 . 1 1 41 41 GLN H H 41 10.188 10.188 8.115 2.073 19449 3674 1 9 . 1 1 42 42 PHE N N 42 114.111 114.111 120.099 -5.988 19449 3675 1 9 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.649 -0.090 19449 3676 1 9 . 1 1 42 42 PHE C C 42 176.183 176.183 174.708 1.475 19449 3677 1 9 . 1 1 42 42 PHE CA C 42 55.829 55.829 57.075 -1.246 19449 3678 1 9 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.722 -1.110 19449 3679 1 9 . 1 1 42 42 PHE H H 42 7.010 7.010 8.017 -1.007 19449 3680 1 9 . 1 1 43 43 ASN N N 43 118.260 118.260 119.069 -0.809 19449 3681 1 9 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.702 -0.410 19449 3682 1 9 . 1 1 43 43 ASN C C 43 176.455 176.455 176.228 0.227 19449 3683 1 9 . 1 1 43 43 ASN CA C 43 55.282 55.282 53.782 1.500 19449 3684 1 9 . 1 1 43 43 ASN CB C 43 37.930 37.930 37.992 -0.062 19449 3685 1 9 . 1 1 43 43 ASN H H 43 7.528 7.528 7.925 -0.397 19449 3686 1 9 . 1 1 44 44 GLY N N 44 111.528 111.528 111.455 0.073 19449 3687 1 9 . 1 1 44 44 GLY C C 44 173.888 173.888 174.106 -0.218 19449 3688 1 9 . 1 1 44 44 GLY CA C 44 45.606 45.606 45.057 0.549 19449 3689 1 9 . 1 1 44 44 GLY H H 44 8.697 8.697 8.578 0.119 19449 3690 1 9 . 1 1 45 45 LEU N N 45 120.387 120.387 119.797 0.590 19449 3691 1 9 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.717 0.032 19449 3692 1 9 . 1 1 45 45 LEU C C 45 178.175 178.175 175.707 2.468 19449 3693 1 9 . 1 1 45 45 LEU CA C 45 53.328 53.328 53.526 -0.199 19449 3694 1 9 . 1 1 45 45 LEU CB C 45 44.992 44.992 44.199 0.793 19449 3695 1 9 . 1 1 45 45 LEU H H 45 7.565 7.565 7.617 -0.052 19449 3696 1 9 . 1 1 46 46 SER N N 46 118.894 118.894 114.645 4.249 19449 3697 1 9 . 1 1 46 46 SER HA H 46 4.313 4.313 4.704 -0.391 19449 3698 1 9 . 1 1 46 46 SER C C 46 174.896 174.896 175.663 -0.767 19449 3699 1 9 . 1 1 46 46 SER CA C 46 57.022 57.022 56.657 0.365 19449 3700 1 9 . 1 1 46 46 SER CB C 46 64.252 64.252 64.617 -0.365 19449 3701 1 9 . 1 1 46 46 SER H H 46 8.896 8.896 8.243 0.653 19449 3702 1 9 . 1 1 47 47 LEU N N 47 124.460 124.460 123.452 1.008 19449 3703 1 9 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.194 -0.571 19449 3704 1 9 . 1 1 47 47 LEU C C 47 179.220 179.220 178.289 0.931 19449 3705 1 9 . 1 1 47 47 LEU CA C 47 59.132 59.132 58.028 1.104 19449 3706 1 9 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.356 0.333 19449 3707 1 9 . 1 1 47 47 LEU H H 47 8.720 8.720 8.864 -0.144 19449 3708 1 9 . 1 1 48 48 ILE N N 48 115.654 115.654 119.566 -3.912 19449 3709 1 9 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.871 -0.241 19449 3710 1 9 . 1 1 48 48 ILE C C 48 178.433 178.433 177.847 0.586 19449 3711 1 9 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.552 0.648 19449 3712 1 9 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.498 1.401 19449 3713 1 9 . 1 1 48 48 ILE H H 48 7.920 7.920 7.548 0.372 19449 3714 1 9 . 1 1 49 49 ASN N N 49 120.529 120.529 118.908 1.621 19449 3715 1 9 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.502 0.149 19449 3716 1 9 . 1 1 49 49 ASN C C 49 178.478 178.478 178.205 0.273 19449 3717 1 9 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.409 -0.713 19449 3718 1 9 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.696 0.198 19449 3719 1 9 . 1 1 49 49 ASN H H 49 7.449 7.449 8.233 -0.784 19449 3720 1 9 . 1 1 50 50 GLN N N 50 122.483 122.483 119.493 2.990 19449 3721 1 9 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.131 -0.272 19449 3722 1 9 . 1 1 50 50 GLN C C 50 177.657 177.657 178.535 -0.878 19449 3723 1 9 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.511 0.135 19449 3724 1 9 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.756 -0.835 19449 3725 1 9 . 1 1 50 50 GLN H H 50 8.664 8.664 8.680 -0.016 19449 3726 1 9 . 1 1 51 51 HIS N N 51 116.297 116.297 118.303 -2.006 19449 3727 1 9 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.372 -0.501 19449 3728 1 9 . 1 1 51 51 HIS CA C 51 59.635 59.635 58.922 0.713 19449 3729 1 9 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.115 -0.004 19449 3730 1 9 . 1 1 51 51 HIS H H 51 8.206 8.206 7.765 0.441 19449 3731 1 9 . 1 1 52 52 LYS N N 52 120.443 120.443 120.542 -0.099 19449 3732 1 9 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.193 -0.339 19449 3733 1 9 . 1 1 52 52 LYS C C 52 178.162 178.162 178.467 -0.305 19449 3734 1 9 . 1 1 52 52 LYS CA C 52 60.085 60.085 58.979 1.106 19449 3735 1 9 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.564 0.088 19449 3736 1 9 . 1 1 52 52 LYS H H 52 8.282 8.282 8.030 0.252 19449 3737 1 9 . 1 1 53 53 LEU N N 53 117.663 117.663 119.951 -2.288 19449 3738 1 9 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.075 0.046 19449 3739 1 9 . 1 1 53 53 LEU C C 53 180.570 180.570 178.887 1.683 19449 3740 1 9 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.345 -0.157 19449 3741 1 9 . 1 1 53 53 LEU CB C 53 42.854 42.854 42.290 0.564 19449 3742 1 9 . 1 1 53 53 LEU H H 53 7.528 7.528 8.538 -1.010 19449 3743 1 9 . 1 1 54 54 VAL N N 54 118.963 118.963 114.409 4.554 19449 3744 1 9 . 1 1 54 54 VAL HA H 54 3.650 3.650 4.035 -0.385 19449 3745 1 9 . 1 1 54 54 VAL C C 54 177.185 177.185 177.541 -0.356 19449 3746 1 9 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.703 -0.025 19449 3747 1 9 . 1 1 54 54 VAL CB C 54 31.630 31.630 31.434 0.196 19449 3748 1 9 . 1 1 54 54 VAL H H 54 7.286 7.286 7.641 -0.355 19449 3749 1 9 . 1 1 55 55 LYS N N 55 119.061 119.061 117.838 1.223 19449 3750 1 9 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.219 -0.634 19449 3751 1 9 . 1 1 55 55 LYS C C 55 179.976 179.976 178.548 1.428 19449 3752 1 9 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.459 2.407 19449 3753 1 9 . 1 1 55 55 LYS CB C 55 31.743 31.743 31.986 -0.243 19449 3754 1 9 . 1 1 55 55 LYS H H 55 8.539 8.539 7.473 1.066 19449 3755 1 9 . 1 1 56 56 ASN N N 56 117.807 117.807 118.600 -0.793 19449 3756 1 9 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.634 -0.286 19449 3757 1 9 . 1 1 56 56 ASN C C 56 178.363 178.363 177.329 1.034 19449 3758 1 9 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.523 0.402 19449 3759 1 9 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.247 -0.604 19449 3760 1 9 . 1 1 56 56 ASN H H 56 8.640 8.640 8.219 0.421 19449 3761 1 9 . 1 1 57 57 ALA N N 57 122.142 122.142 121.464 0.678 19449 3762 1 9 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.303 -0.150 19449 3763 1 9 . 1 1 57 57 ALA C C 57 178.976 178.976 178.633 0.343 19449 3764 1 9 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.440 0.064 19449 3765 1 9 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.657 0.346 19449 3766 1 9 . 1 1 57 57 ALA H H 57 7.436 7.436 8.501 -1.065 19449 3767 1 9 . 1 1 58 58 LEU N N 58 115.109 115.109 110.375 4.734 19449 3768 1 9 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.569 -0.226 19449 3769 1 9 . 1 1 58 58 LEU C C 58 177.792 177.792 176.927 0.865 19449 3770 1 9 . 1 1 58 58 LEU CA C 58 53.791 53.791 55.629 -1.838 19449 3771 1 9 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.084 0.482 19449 3772 1 9 . 1 1 58 58 LEU H H 58 7.458 7.458 7.408 0.050 19449 3773 1 9 . 1 1 59 59 SER N N 59 117.442 117.442 114.726 2.716 19449 3774 1 9 . 1 1 59 59 SER HA H 59 3.967 3.967 4.416 -0.449 19449 3775 1 9 . 1 1 59 59 SER C C 59 175.721 175.721 175.411 0.310 19449 3776 1 9 . 1 1 59 59 SER CA C 59 62.464 62.464 59.907 2.557 19449 3777 1 9 . 1 1 59 59 SER CB C 59 63.058 63.058 62.845 0.213 19449 3778 1 9 . 1 1 59 59 SER H H 59 7.559 7.559 7.760 -0.201 19449 3779 1 9 . 1 1 60 60 GLU N N 60 118.774 118.774 119.671 -0.897 19449 3780 1 9 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.357 -0.208 19449 3781 1 9 . 1 1 60 60 GLU C C 60 177.223 177.223 177.463 -0.240 19449 3782 1 9 . 1 1 60 60 GLU CA C 60 58.231 58.231 57.412 0.819 19449 3783 1 9 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.803 0.008 19449 3784 1 9 . 1 1 60 60 GLU H H 60 8.491 8.491 8.037 0.454 19449 3785 1 9 . 1 1 61 61 ILE N N 61 112.097 112.097 117.977 -5.880 19449 3786 1 9 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.087 0.173 19449 3787 1 9 . 1 1 61 61 ILE C C 61 177.352 177.352 175.323 2.029 19449 3788 1 9 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.771 -0.337 19449 3789 1 9 . 1 1 61 61 ILE CB C 61 39.900 39.900 39.133 0.767 19449 3790 1 9 . 1 1 61 61 ILE H H 61 7.582 7.582 7.573 0.009 19449 3791 1 9 . 1 1 62 62 LEU N N 62 124.848 124.848 117.916 6.932 19449 3792 1 9 . 1 1 62 62 LEU HA H 62 4.193 4.193 3.971 0.222 19449 3793 1 9 . 1 1 62 62 LEU C C 62 177.476 177.476 177.094 0.382 19449 3794 1 9 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.026 1.583 19449 3795 1 9 . 1 1 62 62 LEU CB C 62 41.516 41.516 39.200 2.316 19449 3796 1 9 . 1 1 62 62 LEU H H 62 8.113 8.113 7.643 0.470 19449 3797 1 9 . 1 1 63 63 ASN N N 63 117.202 117.202 117.092 0.110 19449 3798 1 9 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.419 -0.168 19449 3799 1 9 . 1 1 63 63 ASN C C 63 174.911 174.911 176.040 -1.129 19449 3800 1 9 . 1 1 63 63 ASN CA C 63 55.685 55.685 55.359 0.326 19449 3801 1 9 . 1 1 63 63 ASN CB C 63 37.948 37.948 38.860 -0.912 19449 3802 1 9 . 1 1 63 63 ASN H H 63 8.507 8.507 8.497 0.010 19449 3803 1 9 . 1 1 64 64 LYS N N 64 118.109 118.109 117.290 0.819 19449 3804 1 9 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.265 -0.000 19449 3805 1 9 . 1 1 64 64 LYS C C 64 175.964 175.964 174.408 1.556 19449 3806 1 9 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.799 1.793 19449 3807 1 9 . 1 1 64 64 LYS CB C 64 33.841 33.841 33.837 0.004 19449 3808 1 9 . 1 1 64 64 LYS H H 64 7.691 7.691 7.595 0.096 19449 3809 1 9 . 1 1 65 65 LYS N N 65 116.060 116.060 118.500 -2.440 19449 3810 1 9 . 1 1 65 65 LYS HA H 65 4.329 4.329 3.988 0.341 19449 3811 1 9 . 1 1 65 65 LYS C C 65 174.912 174.912 175.042 -0.130 19449 3812 1 9 . 1 1 65 65 LYS CA C 65 56.422 56.422 57.347 -0.925 19449 3813 1 9 . 1 1 65 65 LYS CB C 65 34.292 34.292 31.585 2.707 19449 3814 1 9 . 1 1 65 65 LYS H H 65 7.805 7.805 8.602 -0.797 19449 3815 1 9 . 1 1 66 66 LEU N N 66 118.796 118.796 120.166 -1.370 19449 3816 1 9 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.500 -0.017 19449 3817 1 9 . 1 1 66 66 LEU CA C 66 54.089 54.089 54.759 -0.670 19449 3818 1 9 . 1 1 66 66 LEU CB C 66 43.732 43.732 40.521 3.211 19449 3819 1 9 . 1 1 66 66 LEU H H 66 7.386 7.386 7.975 -0.589 19449 3820 1 9 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.789 -0.258 19449 3821 1 9 . 1 1 67 67 HIS CA C 67 57.560 57.560 55.663 1.897 19449 3822 1 9 . 1 1 67 67 HIS CB C 67 29.560 29.560 31.941 -2.381 19449 3823 1 9 . 1 1 68 68 SER N N 68 113.247 113.247 115.056 -1.809 19449 3824 1 9 . 1 1 68 68 SER HA H 68 4.521 4.521 4.731 -0.210 19449 3825 1 9 . 1 1 68 68 SER C C 68 172.449 172.449 172.781 -0.332 19449 3826 1 9 . 1 1 68 68 SER CA C 68 57.887 57.887 58.185 -0.298 19449 3827 1 9 . 1 1 68 68 SER CB C 68 63.781 63.781 64.174 -0.393 19449 3828 1 9 . 1 1 68 68 SER H H 68 7.505 7.505 8.246 -0.741 19449 3829 1 9 . 1 1 69 69 ILE N N 69 122.511 122.511 119.100 3.411 19449 3830 1 9 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.663 0.297 19449 3831 1 9 . 1 1 69 69 ILE C C 69 173.796 173.796 173.939 -0.143 19449 3832 1 9 . 1 1 69 69 ILE CA C 69 59.254 59.254 60.332 -1.078 19449 3833 1 9 . 1 1 69 69 ILE CB C 69 41.297 41.297 41.936 -0.639 19449 3834 1 9 . 1 1 69 69 ILE H H 69 8.172 8.172 8.039 0.133 19449 3835 1 9 . 1 1 70 70 SER N N 70 122.242 122.242 115.795 6.447 19449 3836 1 9 . 1 1 70 70 SER HA H 70 4.683 4.683 4.803 -0.120 19449 3837 1 9 . 1 1 70 70 SER C C 70 173.443 173.443 173.667 -0.224 19449 3838 1 9 . 1 1 70 70 SER CA C 70 56.687 56.687 57.407 -0.720 19449 3839 1 9 . 1 1 70 70 SER CB C 70 64.027 64.027 64.188 -0.161 19449 3840 1 9 . 1 1 70 70 SER H H 70 8.428 8.428 8.347 0.081 19449 3841 1 9 . 1 1 71 71 ILE N N 71 125.615 125.615 126.655 -1.040 19449 3842 1 9 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.079 0.090 19449 3843 1 9 . 1 1 71 71 ILE C C 71 173.769 173.769 174.013 -0.244 19449 3844 1 9 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.397 1.194 19449 3845 1 9 . 1 1 71 71 ILE CB C 71 40.978 40.978 39.829 1.149 19449 3846 1 9 . 1 1 71 71 ILE H H 71 8.615 8.615 8.519 0.096 19449 3847 1 9 . 1 1 72 72 LYS N N 72 129.141 129.141 127.705 1.436 19449 3848 1 9 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.551 0.077 19449 3849 1 9 . 1 1 72 72 LYS C C 72 174.425 174.425 175.447 -1.022 19449 3850 1 9 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.029 0.249 19449 3851 1 9 . 1 1 72 72 LYS CB C 72 35.146 35.146 35.221 -0.075 19449 3852 1 9 . 1 1 72 72 LYS H H 72 8.419 8.419 8.535 -0.116 19449 3853 1 9 . 1 1 73 73 THR N N 73 116.054 116.054 115.899 0.155 19449 3854 1 9 . 1 1 73 73 THR HA H 73 4.695 4.695 4.320 0.375 19449 3855 1 9 . 1 1 73 73 THR C C 73 174.550 174.550 174.176 0.374 19449 3856 1 9 . 1 1 73 73 THR CA C 73 58.793 58.793 61.253 -2.460 19449 3857 1 9 . 1 1 73 73 THR CB C 73 68.752 68.752 69.533 -0.781 19449 3858 1 9 . 1 1 73 73 THR H H 73 8.258 8.258 8.314 -0.056 19449 3859 1 9 . 1 1 74 74 ILE N N 74 124.787 124.787 128.043 -3.256 19449 3860 1 9 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.394 -0.163 19449 3861 1 9 . 1 1 74 74 ILE C C 74 175.033 175.033 174.452 0.581 19449 3862 1 9 . 1 1 74 74 ILE CA C 74 60.813 60.813 61.225 -0.412 19449 3863 1 9 . 1 1 74 74 ILE CB C 74 40.771 40.771 41.636 -0.865 19449 3864 1 9 . 1 1 74 74 ILE H H 74 8.655 8.655 7.891 0.764 19449 3865 1 9 . 1 1 75 75 SER N N 75 121.778 121.778 121.653 0.125 19449 3866 1 9 . 1 1 75 75 SER HA H 75 4.574 4.574 5.237 -0.663 19449 3867 1 9 . 1 1 75 75 SER C C 75 173.153 173.153 173.940 -0.787 19449 3868 1 9 . 1 1 75 75 SER CA C 75 58.586 58.586 57.059 1.526 19449 3869 1 9 . 1 1 75 75 SER CB C 75 64.245 64.245 64.695 -0.450 19449 3870 1 9 . 1 1 75 75 SER H H 75 8.306 8.306 8.414 -0.108 19449 3871 1 10 . 1 1 2 2 ALA N N 2 124.143 124.143 124.464 -0.321 19449 3872 1 10 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.884 -0.450 19449 3873 1 10 . 1 1 2 2 ALA C C 2 177.129 177.129 176.486 0.643 19449 3874 1 10 . 1 1 2 2 ALA CA C 2 52.125 52.125 51.635 0.490 19449 3875 1 10 . 1 1 2 2 ALA CB C 2 20.239 20.239 20.697 -0.458 19449 3876 1 10 . 1 1 2 2 ALA H H 2 7.998 7.998 8.276 -0.278 19449 3877 1 10 . 1 1 3 3 ILE N N 3 120.462 120.462 122.210 -1.748 19449 3878 1 10 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.347 -0.003 19449 3879 1 10 . 1 1 3 3 ILE C C 3 173.994 173.994 175.614 -1.620 19449 3880 1 10 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.660 -1.102 19449 3881 1 10 . 1 1 3 3 ILE CB C 3 39.826 39.826 40.659 -0.833 19449 3882 1 10 . 1 1 3 3 ILE H H 3 8.659 8.659 8.537 0.122 19449 3883 1 10 . 1 1 4 4 SER N N 4 122.216 122.216 121.788 0.428 19449 3884 1 10 . 1 1 4 4 SER HA H 4 4.532 4.532 4.376 0.156 19449 3885 1 10 . 1 1 4 4 SER C C 4 174.562 174.562 175.569 -1.007 19449 3886 1 10 . 1 1 4 4 SER CA C 4 57.162 57.162 58.372 -1.210 19449 3887 1 10 . 1 1 4 4 SER CB C 4 65.966 65.966 64.072 1.894 19449 3888 1 10 . 1 1 4 4 SER H H 4 8.376 8.376 8.531 -0.155 19449 3889 1 10 . 1 1 5 5 ALA N N 5 124.531 124.531 128.490 -3.959 19449 3890 1 10 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.989 -0.464 19449 3891 1 10 . 1 1 5 5 ALA C C 5 179.834 179.834 178.878 0.956 19449 3892 1 10 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.595 0.921 19449 3893 1 10 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.601 -0.551 19449 3894 1 10 . 1 1 5 5 ALA H H 5 8.986 8.986 8.791 0.195 19449 3895 1 10 . 1 1 6 6 GLU N N 6 117.333 117.333 116.680 0.653 19449 3896 1 10 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.139 -0.217 19449 3897 1 10 . 1 1 6 6 GLU C C 6 179.125 179.125 178.422 0.703 19449 3898 1 10 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.807 0.937 19449 3899 1 10 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.722 0.548 19449 3900 1 10 . 1 1 6 6 GLU H H 6 8.526 8.526 8.891 -0.365 19449 3901 1 10 . 1 1 7 7 GLU N N 7 120.933 120.933 119.550 1.383 19449 3902 1 10 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.094 -0.220 19449 3903 1 10 . 1 1 7 7 GLU C C 7 178.705 178.705 178.542 0.163 19449 3904 1 10 . 1 1 7 7 GLU CA C 7 59.016 59.016 58.597 0.419 19449 3905 1 10 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.606 0.003 19449 3906 1 10 . 1 1 7 7 GLU H H 7 7.696 7.696 7.965 -0.269 19449 3907 1 10 . 1 1 8 8 LEU N N 8 120.345 120.345 120.868 -0.523 19449 3908 1 10 . 1 1 8 8 LEU HA H 8 3.728 3.728 4.065 -0.337 19449 3909 1 10 . 1 1 8 8 LEU C C 8 177.984 177.984 177.964 0.020 19449 3910 1 10 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.715 0.223 19449 3911 1 10 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.898 -0.155 19449 3912 1 10 . 1 1 8 8 LEU H H 8 8.092 8.092 7.603 0.489 19449 3913 1 10 . 1 1 9 9 GLU N N 9 118.656 118.656 118.341 0.315 19449 3914 1 10 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.895 -0.367 19449 3915 1 10 . 1 1 9 9 GLU C C 9 177.280 177.280 178.938 -1.658 19449 3916 1 10 . 1 1 9 9 GLU CA C 9 60.629 60.629 59.218 1.411 19449 3917 1 10 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.854 0.289 19449 3918 1 10 . 1 1 9 9 GLU H H 9 8.104 8.104 7.820 0.284 19449 3919 1 10 . 1 1 10 10 LYS N N 10 117.661 117.661 118.593 -0.932 19449 3920 1 10 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.103 -0.330 19449 3921 1 10 . 1 1 10 10 LYS C C 10 179.895 179.895 179.383 0.512 19449 3922 1 10 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.211 1.710 19449 3923 1 10 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.950 0.438 19449 3924 1 10 . 1 1 10 10 LYS H H 10 7.565 7.565 7.693 -0.128 19449 3925 1 10 . 1 1 11 11 ILE N N 11 119.359 119.359 120.109 -0.750 19449 3926 1 10 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.733 -0.117 19449 3927 1 10 . 1 1 11 11 ILE C C 11 179.908 179.908 177.930 1.978 19449 3928 1 10 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.974 0.006 19449 3929 1 10 . 1 1 11 11 ILE CB C 11 38.415 38.415 37.969 0.446 19449 3930 1 10 . 1 1 11 11 ILE H H 11 7.894 7.894 7.465 0.429 19449 3931 1 10 . 1 1 12 12 LEU N N 12 121.478 121.478 120.409 1.069 19449 3932 1 10 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.887 0.086 19449 3933 1 10 . 1 1 12 12 LEU C C 12 179.346 179.346 178.537 0.809 19449 3934 1 10 . 1 1 12 12 LEU CA C 12 58.306 58.306 57.340 0.966 19449 3935 1 10 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.381 1.472 19449 3936 1 10 . 1 1 12 12 LEU H H 12 8.180 8.180 7.561 0.619 19449 3937 1 10 . 1 1 13 13 LYS N N 13 119.072 119.072 118.319 0.753 19449 3938 1 10 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.097 -0.306 19449 3939 1 10 . 1 1 13 13 LYS C C 13 177.763 177.763 177.820 -0.057 19449 3940 1 10 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.785 -0.890 19449 3941 1 10 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.168 -0.088 19449 3942 1 10 . 1 1 13 13 LYS H H 13 8.648 8.648 7.740 0.908 19449 3943 1 10 . 1 1 14 14 LYS N N 14 116.972 116.972 116.409 0.563 19449 3944 1 10 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.061 -0.098 19449 3945 1 10 . 1 1 14 14 LYS C C 14 178.525 178.525 177.411 1.114 19449 3946 1 10 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.375 0.805 19449 3947 1 10 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.260 -0.158 19449 3948 1 10 . 1 1 14 14 LYS H H 14 7.225 7.225 7.685 -0.460 19449 3949 1 10 . 1 1 15 15 SER N N 15 111.938 111.938 113.847 -1.909 19449 3950 1 10 . 1 1 15 15 SER HA H 15 4.206 4.206 4.346 -0.140 19449 3951 1 10 . 1 1 15 15 SER C C 15 172.812 172.812 174.887 -2.075 19449 3952 1 10 . 1 1 15 15 SER CA C 15 60.745 60.745 58.843 1.902 19449 3953 1 10 . 1 1 15 15 SER CB C 15 64.381 64.381 64.340 0.041 19449 3954 1 10 . 1 1 15 15 SER H H 15 6.913 6.913 7.749 -0.836 19449 3955 1 10 . 1 1 16 16 PHE N N 16 118.448 118.448 121.115 -2.667 19449 3956 1 10 . 1 1 16 16 PHE HA H 16 4.856 4.856 5.256 -0.400 19449 3957 1 10 . 1 1 16 16 PHE CA C 16 54.828 54.828 53.778 1.050 19449 3958 1 10 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.232 -0.663 19449 3959 1 10 . 1 1 16 16 PHE H H 16 8.222 8.222 8.013 0.209 19449 3960 1 10 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.351 0.222 19449 3961 1 10 . 1 1 17 17 PRO C C 17 178.807 178.807 176.988 1.819 19449 3962 1 10 . 1 1 17 17 PRO CA C 17 65.800 65.800 64.904 0.895 19449 3963 1 10 . 1 1 17 17 PRO CB C 17 32.018 32.018 32.137 -0.119 19449 3964 1 10 . 1 1 18 18 SER N N 18 116.179 116.179 112.422 3.757 19449 3965 1 10 . 1 1 18 18 SER HA H 18 4.716 4.716 4.396 0.320 19449 3966 1 10 . 1 1 18 18 SER C C 18 174.085 174.085 174.664 -0.579 19449 3967 1 10 . 1 1 18 18 SER CA C 18 57.161 57.161 58.434 -1.273 19449 3968 1 10 . 1 1 18 18 SER CB C 18 63.144 63.144 63.231 -0.087 19449 3969 1 10 . 1 1 18 18 SER H H 18 9.427 9.427 8.363 1.064 19449 3970 1 10 . 1 1 19 19 SER N N 19 116.639 116.639 116.674 -0.035 19449 3971 1 10 . 1 1 19 19 SER HA H 19 4.750 4.750 4.638 0.112 19449 3972 1 10 . 1 1 19 19 SER C C 19 175.392 175.392 174.282 1.110 19449 3973 1 10 . 1 1 19 19 SER CA C 19 58.398 58.398 60.045 -1.647 19449 3974 1 10 . 1 1 19 19 SER CB C 19 66.246 66.246 63.972 2.274 19449 3975 1 10 . 1 1 19 19 SER H H 19 7.303 7.303 7.871 -0.568 19449 3976 1 10 . 1 1 20 20 VAL N N 20 119.200 119.200 123.915 -4.715 19449 3977 1 10 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.206 -0.055 19449 3978 1 10 . 1 1 20 20 VAL C C 20 175.866 175.866 174.856 1.010 19449 3979 1 10 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.334 1.299 19449 3980 1 10 . 1 1 20 20 VAL CB C 20 33.213 33.213 31.337 1.875 19449 3981 1 10 . 1 1 20 20 VAL H H 20 8.354 8.354 8.049 0.305 19449 3982 1 10 . 1 1 21 21 ILE N N 21 128.342 128.342 128.974 -0.632 19449 3983 1 10 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.262 0.423 19449 3984 1 10 . 1 1 21 21 ILE C C 21 174.757 174.757 175.742 -0.985 19449 3985 1 10 . 1 1 21 21 ILE CA C 21 60.521 60.521 61.292 -0.771 19449 3986 1 10 . 1 1 21 21 ILE CB C 21 41.455 41.455 38.184 3.271 19449 3987 1 10 . 1 1 21 21 ILE H H 21 8.668 8.668 8.264 0.404 19449 3988 1 10 . 1 1 22 22 LYS N N 22 128.866 128.866 128.770 0.096 19449 3989 1 10 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.668 -0.125 19449 3990 1 10 . 1 1 22 22 LYS C C 22 174.900 174.900 175.020 -0.120 19449 3991 1 10 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.925 0.636 19449 3992 1 10 . 1 1 22 22 LYS CB C 22 35.490 35.490 35.972 -0.482 19449 3993 1 10 . 1 1 22 22 LYS H H 22 9.004 9.004 7.910 1.094 19449 3994 1 10 . 1 1 23 23 ILE N N 23 127.570 127.570 126.479 1.091 19449 3995 1 10 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.268 0.549 19449 3996 1 10 . 1 1 23 23 ILE C C 23 175.206 175.206 176.235 -1.029 19449 3997 1 10 . 1 1 23 23 ILE CA C 23 60.258 60.258 61.254 -0.996 19449 3998 1 10 . 1 1 23 23 ILE CB C 23 40.379 40.379 38.420 1.959 19449 3999 1 10 . 1 1 23 23 ILE H H 23 8.869 8.869 8.616 0.253 19449 4000 1 10 . 1 1 24 24 THR N N 24 122.480 122.480 124.947 -2.467 19449 4001 1 10 . 1 1 24 24 THR HA H 24 4.532 4.532 4.624 -0.092 19449 4002 1 10 . 1 1 24 24 THR C C 24 173.003 173.003 172.964 0.039 19449 4003 1 10 . 1 1 24 24 THR CA C 24 61.182 61.182 61.083 0.099 19449 4004 1 10 . 1 1 24 24 THR CB C 24 71.402 71.402 71.587 -0.185 19449 4005 1 10 . 1 1 24 24 THR H H 24 8.856 8.856 8.245 0.611 19449 4006 1 10 . 1 1 25 25 ASP N N 25 126.508 126.508 125.281 1.227 19449 4007 1 10 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.756 -0.059 19449 4008 1 10 . 1 1 25 25 ASP C C 25 176.417 176.417 175.462 0.955 19449 4009 1 10 . 1 1 25 25 ASP CA C 25 53.225 53.225 54.452 -1.227 19449 4010 1 10 . 1 1 25 25 ASP CB C 25 40.744 40.744 41.449 -0.705 19449 4011 1 10 . 1 1 25 25 ASP H H 25 8.984 8.984 8.650 0.334 19449 4012 1 10 . 1 1 26 26 LEU N N 26 125.128 125.128 124.349 0.779 19449 4013 1 10 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.404 -0.314 19449 4014 1 10 . 1 1 26 26 LEU C C 26 177.615 177.615 177.392 0.223 19449 4015 1 10 . 1 1 26 26 LEU CA C 26 56.409 56.409 56.032 0.377 19449 4016 1 10 . 1 1 26 26 LEU CB C 26 42.808 42.808 43.002 -0.194 19449 4017 1 10 . 1 1 26 26 LEU H H 26 8.493 8.493 8.792 -0.299 19449 4018 1 10 . 1 1 27 27 VAL N N 27 116.931 116.931 118.015 -1.084 19449 4019 1 10 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.127 -0.115 19449 4020 1 10 . 1 1 27 27 VAL C C 27 176.064 176.064 176.560 -0.496 19449 4021 1 10 . 1 1 27 27 VAL CA C 27 62.772 62.772 63.014 -0.242 19449 4022 1 10 . 1 1 27 27 VAL CB C 27 34.397 34.397 32.378 2.019 19449 4023 1 10 . 1 1 27 27 VAL H H 27 8.111 8.111 7.949 0.162 19449 4024 1 10 . 1 1 28 28 GLY N N 28 111.338 111.338 107.536 3.802 19449 4025 1 10 . 1 1 28 28 GLY C C 28 174.054 174.054 174.627 -0.573 19449 4026 1 10 . 1 1 28 28 GLY CA C 28 45.634 45.634 44.964 0.670 19449 4027 1 10 . 1 1 28 28 GLY H H 28 8.947 8.947 8.074 0.873 19449 4028 1 10 . 1 1 29 29 ASP N N 29 119.343 119.343 121.056 -1.713 19449 4029 1 10 . 1 1 29 29 ASP C C 29 175.806 175.806 176.526 -0.720 19449 4030 1 10 . 1 1 29 29 ASP CA C 29 52.520 52.520 54.270 -1.750 19449 4031 1 10 . 1 1 29 29 ASP CB C 29 41.120 41.120 41.299 -0.179 19449 4032 1 10 . 1 1 29 29 ASP H H 29 7.802 7.802 8.270 -0.468 19449 4033 1 10 . 1 1 30 30 GLN N N 30 116.835 116.835 120.917 -4.082 19449 4034 1 10 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.236 -0.655 19449 4035 1 10 . 1 1 30 30 GLN C C 30 174.351 174.351 176.044 -1.693 19449 4036 1 10 . 1 1 30 30 GLN CA C 30 57.299 57.299 56.353 0.945 19449 4037 1 10 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.440 -2.090 19449 4038 1 10 . 1 1 30 30 GLN H H 30 9.284 9.284 7.852 1.432 19449 4039 1 10 . 1 1 31 31 ASP N N 31 114.773 114.773 124.025 -9.252 19449 4040 1 10 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.548 0.209 19449 4041 1 10 . 1 1 31 31 ASP C C 31 174.994 174.994 175.323 -0.329 19449 4042 1 10 . 1 1 31 31 ASP CA C 31 53.587 53.587 54.371 -0.784 19449 4043 1 10 . 1 1 31 31 ASP CB C 31 42.674 42.674 39.072 3.603 19449 4044 1 10 . 1 1 31 31 ASP H H 31 7.762 7.762 8.595 -0.833 19449 4045 1 10 . 1 1 32 32 HIS N N 32 116.715 116.715 120.342 -3.627 19449 4046 1 10 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.576 0.243 19449 4047 1 10 . 1 1 32 32 HIS CA C 32 55.006 55.006 54.894 0.112 19449 4048 1 10 . 1 1 32 32 HIS CB C 32 30.246 30.246 32.065 -1.819 19449 4049 1 10 . 1 1 32 32 HIS H H 32 7.364 7.364 7.939 -0.575 19449 4050 1 10 . 1 1 33 33 TYR N N 33 118.888 118.888 118.696 0.192 19449 4051 1 10 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.457 0.824 19449 4052 1 10 . 1 1 33 33 TYR C C 33 175.344 175.344 173.774 1.570 19449 4053 1 10 . 1 1 33 33 TYR CA C 33 57.486 57.486 57.873 -0.387 19449 4054 1 10 . 1 1 33 33 TYR CB C 33 42.046 42.046 41.049 0.997 19449 4055 1 10 . 1 1 33 33 TYR H H 33 7.979 7.979 8.058 -0.079 19449 4056 1 10 . 1 1 34 34 ALA N N 34 124.471 124.471 127.082 -2.611 19449 4057 1 10 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.444 0.535 19449 4058 1 10 . 1 1 34 34 ALA C C 34 175.399 175.399 175.262 0.137 19449 4059 1 10 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.855 0.208 19449 4060 1 10 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.469 0.952 19449 4061 1 10 . 1 1 34 34 ALA H H 34 9.214 9.214 8.911 0.303 19449 4062 1 10 . 1 1 35 35 LEU N N 35 124.614 124.614 128.263 -3.649 19449 4063 1 10 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.547 0.412 19449 4064 1 10 . 1 1 35 35 LEU C C 35 174.694 174.694 174.946 -0.252 19449 4065 1 10 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.266 -0.983 19449 4066 1 10 . 1 1 35 35 LEU CB C 35 45.575 45.575 43.362 2.213 19449 4067 1 10 . 1 1 35 35 LEU H H 35 8.855 8.855 8.096 0.759 19449 4068 1 10 . 1 1 36 36 GLU N N 36 127.949 127.949 126.303 1.646 19449 4069 1 10 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.577 0.657 19449 4070 1 10 . 1 1 36 36 GLU C C 36 174.441 174.441 174.658 -0.217 19449 4071 1 10 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.047 0.750 19449 4072 1 10 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.065 0.543 19449 4073 1 10 . 1 1 36 36 GLU H H 36 9.085 9.085 8.117 0.968 19449 4074 1 10 . 1 1 37 37 ILE N N 37 123.414 123.414 125.063 -1.649 19449 4075 1 10 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.544 0.651 19449 4076 1 10 . 1 1 37 37 ILE C C 37 172.644 172.644 174.233 -1.589 19449 4077 1 10 . 1 1 37 37 ILE CA C 37 58.298 58.298 60.038 -1.740 19449 4078 1 10 . 1 1 37 37 ILE CB C 37 41.651 41.651 40.947 0.704 19449 4079 1 10 . 1 1 37 37 ILE H H 37 8.709 8.709 7.671 1.038 19449 4080 1 10 . 1 1 38 38 SER N N 38 123.499 123.499 121.802 1.697 19449 4081 1 10 . 1 1 38 38 SER HA H 38 5.989 5.989 5.198 0.791 19449 4082 1 10 . 1 1 38 38 SER C C 38 173.645 173.645 172.876 0.769 19449 4083 1 10 . 1 1 38 38 SER CA C 38 55.428 55.428 57.000 -1.572 19449 4084 1 10 . 1 1 38 38 SER CB C 38 64.017 64.017 64.162 -0.145 19449 4085 1 10 . 1 1 38 38 SER H H 38 8.843 8.843 8.605 0.238 19449 4086 1 10 . 1 1 39 39 ASP N N 39 122.449 122.449 126.638 -4.189 19449 4087 1 10 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.834 -0.396 19449 4088 1 10 . 1 1 39 39 ASP C C 39 175.131 175.131 173.621 1.510 19449 4089 1 10 . 1 1 39 39 ASP CA C 39 55.009 55.009 54.761 0.248 19449 4090 1 10 . 1 1 39 39 ASP CB C 39 46.600 46.600 44.191 2.409 19449 4091 1 10 . 1 1 39 39 ASP H H 39 8.211 8.211 8.379 -0.168 19449 4092 1 10 . 1 1 40 40 ALA N N 40 129.616 129.616 121.436 8.180 19449 4093 1 10 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.849 -0.480 19449 4094 1 10 . 1 1 40 40 ALA C C 40 180.467 180.467 177.887 2.580 19449 4095 1 10 . 1 1 40 40 ALA CA C 40 53.868 53.868 51.642 2.225 19449 4096 1 10 . 1 1 40 40 ALA CB C 40 18.372 18.372 19.232 -0.860 19449 4097 1 10 . 1 1 40 40 ALA H H 40 8.730 8.730 8.669 0.061 19449 4098 1 10 . 1 1 41 41 GLN N N 41 119.804 119.804 118.576 1.228 19449 4099 1 10 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.203 -0.233 19449 4100 1 10 . 1 1 41 41 GLN C C 41 176.767 176.767 176.111 0.656 19449 4101 1 10 . 1 1 41 41 GLN CA C 41 58.257 58.257 57.678 0.579 19449 4102 1 10 . 1 1 41 41 GLN CB C 41 29.807 29.807 28.978 0.829 19449 4103 1 10 . 1 1 41 41 GLN H H 41 10.188 10.188 8.451 1.737 19449 4104 1 10 . 1 1 42 42 PHE N N 42 114.111 114.111 113.857 0.254 19449 4105 1 10 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.875 -0.316 19449 4106 1 10 . 1 1 42 42 PHE C C 42 176.183 176.183 175.098 1.085 19449 4107 1 10 . 1 1 42 42 PHE CA C 42 55.829 55.829 54.677 1.152 19449 4108 1 10 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.194 -0.582 19449 4109 1 10 . 1 1 42 42 PHE H H 42 7.010 7.010 7.922 -0.912 19449 4110 1 10 . 1 1 43 43 ASN N N 43 118.260 118.260 121.991 -3.731 19449 4111 1 10 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.022 0.270 19449 4112 1 10 . 1 1 43 43 ASN C C 43 176.455 176.455 176.415 0.040 19449 4113 1 10 . 1 1 43 43 ASN CA C 43 55.282 55.282 55.440 -0.158 19449 4114 1 10 . 1 1 43 43 ASN CB C 43 37.930 37.930 38.446 -0.516 19449 4115 1 10 . 1 1 43 43 ASN H H 43 7.528 7.528 7.690 -0.162 19449 4116 1 10 . 1 1 44 44 GLY N N 44 111.528 111.528 107.914 3.614 19449 4117 1 10 . 1 1 44 44 GLY C C 44 173.888 173.888 173.221 0.667 19449 4118 1 10 . 1 1 44 44 GLY CA C 44 45.606 45.606 44.820 0.786 19449 4119 1 10 . 1 1 44 44 GLY H H 44 8.697 8.697 8.242 0.455 19449 4120 1 10 . 1 1 45 45 LEU N N 45 120.387 120.387 120.400 -0.013 19449 4121 1 10 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.786 -0.037 19449 4122 1 10 . 1 1 45 45 LEU C C 45 178.175 178.175 175.007 3.168 19449 4123 1 10 . 1 1 45 45 LEU CA C 45 53.328 53.328 53.522 -0.194 19449 4124 1 10 . 1 1 45 45 LEU CB C 45 44.992 44.992 45.930 -0.938 19449 4125 1 10 . 1 1 45 45 LEU H H 45 7.565 7.565 7.509 0.056 19449 4126 1 10 . 1 1 46 46 SER N N 46 118.894 118.894 114.925 3.969 19449 4127 1 10 . 1 1 46 46 SER HA H 46 4.313 4.313 4.727 -0.414 19449 4128 1 10 . 1 1 46 46 SER C C 46 174.896 174.896 175.494 -0.598 19449 4129 1 10 . 1 1 46 46 SER CA C 46 57.022 57.022 56.480 0.542 19449 4130 1 10 . 1 1 46 46 SER CB C 46 64.252 64.252 65.099 -0.847 19449 4131 1 10 . 1 1 46 46 SER H H 46 8.896 8.896 8.290 0.606 19449 4132 1 10 . 1 1 47 47 LEU N N 47 124.460 124.460 122.612 1.848 19449 4133 1 10 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.485 -0.862 19449 4134 1 10 . 1 1 47 47 LEU C C 47 179.220 179.220 178.884 0.336 19449 4135 1 10 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.977 1.155 19449 4136 1 10 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.401 0.288 19449 4137 1 10 . 1 1 47 47 LEU H H 47 8.720 8.720 8.924 -0.204 19449 4138 1 10 . 1 1 48 48 ILE N N 48 115.654 115.654 118.720 -3.066 19449 4139 1 10 . 1 1 48 48 ILE HA H 48 3.630 3.630 4.019 -0.389 19449 4140 1 10 . 1 1 48 48 ILE C C 48 178.433 178.433 177.585 0.848 19449 4141 1 10 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.459 0.741 19449 4142 1 10 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.633 1.266 19449 4143 1 10 . 1 1 48 48 ILE H H 48 7.920 7.920 7.634 0.286 19449 4144 1 10 . 1 1 49 49 ASN N N 49 120.529 120.529 119.076 1.453 19449 4145 1 10 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.546 0.105 19449 4146 1 10 . 1 1 49 49 ASN C C 49 178.478 178.478 178.237 0.241 19449 4147 1 10 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.245 -0.549 19449 4148 1 10 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.590 0.304 19449 4149 1 10 . 1 1 49 49 ASN H H 49 7.449 7.449 8.419 -0.970 19449 4150 1 10 . 1 1 50 50 GLN N N 50 122.483 122.483 119.201 3.282 19449 4151 1 10 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.214 -0.355 19449 4152 1 10 . 1 1 50 50 GLN C C 50 177.657 177.657 178.287 -0.630 19449 4153 1 10 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.189 0.457 19449 4154 1 10 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.855 -0.934 19449 4155 1 10 . 1 1 50 50 GLN H H 50 8.664 8.664 8.610 0.054 19449 4156 1 10 . 1 1 51 51 HIS N N 51 116.297 116.297 119.156 -2.859 19449 4157 1 10 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.409 -0.538 19449 4158 1 10 . 1 1 51 51 HIS CA C 51 59.635 59.635 59.216 0.419 19449 4159 1 10 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.391 -0.280 19449 4160 1 10 . 1 1 51 51 HIS H H 51 8.206 8.206 7.715 0.491 19449 4161 1 10 . 1 1 52 52 LYS N N 52 120.443 120.443 119.754 0.689 19449 4162 1 10 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.253 -0.399 19449 4163 1 10 . 1 1 52 52 LYS C C 52 178.162 178.162 178.207 -0.045 19449 4164 1 10 . 1 1 52 52 LYS CA C 52 60.085 60.085 59.192 0.893 19449 4165 1 10 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.249 0.403 19449 4166 1 10 . 1 1 52 52 LYS H H 52 8.282 8.282 8.368 -0.086 19449 4167 1 10 . 1 1 53 53 LEU N N 53 117.663 117.663 120.645 -2.982 19449 4168 1 10 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.048 0.073 19449 4169 1 10 . 1 1 53 53 LEU C C 53 180.570 180.570 178.660 1.910 19449 4170 1 10 . 1 1 53 53 LEU CA C 53 58.188 58.188 57.919 0.269 19449 4171 1 10 . 1 1 53 53 LEU CB C 53 42.854 42.854 42.199 0.655 19449 4172 1 10 . 1 1 53 53 LEU H H 53 7.528 7.528 7.930 -0.402 19449 4173 1 10 . 1 1 54 54 VAL N N 54 118.963 118.963 114.914 4.049 19449 4174 1 10 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.574 0.076 19449 4175 1 10 . 1 1 54 54 VAL C C 54 177.185 177.185 177.594 -0.409 19449 4176 1 10 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.267 0.411 19449 4177 1 10 . 1 1 54 54 VAL CB C 54 31.630 31.630 31.385 0.245 19449 4178 1 10 . 1 1 54 54 VAL H H 54 7.286 7.286 7.548 -0.262 19449 4179 1 10 . 1 1 55 55 LYS N N 55 119.061 119.061 117.560 1.501 19449 4180 1 10 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.114 -0.529 19449 4181 1 10 . 1 1 55 55 LYS C C 55 179.976 179.976 178.782 1.194 19449 4182 1 10 . 1 1 55 55 LYS CA C 55 60.866 60.866 57.832 3.034 19449 4183 1 10 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.027 -0.284 19449 4184 1 10 . 1 1 55 55 LYS H H 55 8.539 8.539 7.413 1.126 19449 4185 1 10 . 1 1 56 56 ASN N N 56 117.807 117.807 118.589 -0.782 19449 4186 1 10 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.544 -0.196 19449 4187 1 10 . 1 1 56 56 ASN C C 56 178.363 178.363 177.706 0.657 19449 4188 1 10 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.567 0.358 19449 4189 1 10 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.306 -0.663 19449 4190 1 10 . 1 1 56 56 ASN H H 56 8.640 8.640 7.964 0.676 19449 4191 1 10 . 1 1 57 57 ALA N N 57 122.142 122.142 121.743 0.399 19449 4192 1 10 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.059 0.094 19449 4193 1 10 . 1 1 57 57 ALA C C 57 178.976 178.976 177.990 0.986 19449 4194 1 10 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.336 0.168 19449 4195 1 10 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.645 0.358 19449 4196 1 10 . 1 1 57 57 ALA H H 57 7.436 7.436 8.068 -0.632 19449 4197 1 10 . 1 1 58 58 LEU N N 58 115.109 115.109 110.952 4.157 19449 4198 1 10 . 1 1 58 58 LEU HA H 58 4.344 4.344 5.054 -0.710 19449 4199 1 10 . 1 1 58 58 LEU C C 58 177.792 177.792 176.860 0.932 19449 4200 1 10 . 1 1 58 58 LEU CA C 58 53.791 53.791 54.231 -0.440 19449 4201 1 10 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.065 0.502 19449 4202 1 10 . 1 1 58 58 LEU H H 58 7.458 7.458 7.083 0.375 19449 4203 1 10 . 1 1 59 59 SER N N 59 117.442 117.442 115.469 1.973 19449 4204 1 10 . 1 1 59 59 SER HA H 59 3.967 3.967 4.444 -0.477 19449 4205 1 10 . 1 1 59 59 SER C C 59 175.721 175.721 176.067 -0.346 19449 4206 1 10 . 1 1 59 59 SER CA C 59 62.464 62.464 60.645 1.819 19449 4207 1 10 . 1 1 59 59 SER CB C 59 63.058 63.058 63.785 -0.727 19449 4208 1 10 . 1 1 59 59 SER H H 59 7.559 7.559 7.952 -0.393 19449 4209 1 10 . 1 1 60 60 GLU N N 60 118.774 118.774 120.720 -1.946 19449 4210 1 10 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.298 -0.149 19449 4211 1 10 . 1 1 60 60 GLU C C 60 177.223 177.223 177.774 -0.551 19449 4212 1 10 . 1 1 60 60 GLU CA C 60 58.231 58.231 57.643 0.588 19449 4213 1 10 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.899 -0.088 19449 4214 1 10 . 1 1 60 60 GLU H H 60 8.491 8.491 7.855 0.636 19449 4215 1 10 . 1 1 61 61 ILE N N 61 112.097 112.097 118.557 -6.460 19449 4216 1 10 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.009 0.251 19449 4217 1 10 . 1 1 61 61 ILE C C 61 177.352 177.352 175.921 1.431 19449 4218 1 10 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.397 0.037 19449 4219 1 10 . 1 1 61 61 ILE CB C 61 39.900 39.900 37.700 2.200 19449 4220 1 10 . 1 1 61 61 ILE H H 61 7.582 7.582 7.712 -0.130 19449 4221 1 10 . 1 1 62 62 LEU N N 62 124.848 124.848 116.002 8.846 19449 4222 1 10 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.152 0.041 19449 4223 1 10 . 1 1 62 62 LEU C C 62 177.476 177.476 175.946 1.530 19449 4224 1 10 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.245 1.364 19449 4225 1 10 . 1 1 62 62 LEU CB C 62 41.516 41.516 39.011 2.505 19449 4226 1 10 . 1 1 62 62 LEU H H 62 8.113 8.113 8.235 -0.122 19449 4227 1 10 . 1 1 63 63 ASN N N 63 117.202 117.202 114.361 2.841 19449 4228 1 10 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.675 -0.424 19449 4229 1 10 . 1 1 63 63 ASN C C 63 174.911 174.911 174.505 0.406 19449 4230 1 10 . 1 1 63 63 ASN CA C 63 55.685 55.685 52.101 3.584 19449 4231 1 10 . 1 1 63 63 ASN CB C 63 37.948 37.948 39.036 -1.088 19449 4232 1 10 . 1 1 63 63 ASN H H 63 8.507 8.507 8.091 0.416 19449 4233 1 10 . 1 1 64 64 LYS N N 64 118.109 118.109 119.145 -1.036 19449 4234 1 10 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.523 -0.258 19449 4235 1 10 . 1 1 64 64 LYS C C 64 175.964 175.964 175.803 0.161 19449 4236 1 10 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.724 1.867 19449 4237 1 10 . 1 1 64 64 LYS CB C 64 33.841 33.841 35.018 -1.177 19449 4238 1 10 . 1 1 64 64 LYS H H 64 7.691 7.691 7.656 0.035 19449 4239 1 10 . 1 1 65 65 LYS N N 65 116.060 116.060 122.119 -6.059 19449 4240 1 10 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.378 -0.049 19449 4241 1 10 . 1 1 65 65 LYS C C 65 174.912 174.912 177.440 -2.528 19449 4242 1 10 . 1 1 65 65 LYS CA C 65 56.422 56.422 56.008 0.414 19449 4243 1 10 . 1 1 65 65 LYS CB C 65 34.292 34.292 32.437 1.855 19449 4244 1 10 . 1 1 65 65 LYS H H 65 7.805 7.805 8.590 -0.785 19449 4245 1 10 . 1 1 66 66 LEU N N 66 118.796 118.796 120.991 -2.195 19449 4246 1 10 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.327 0.156 19449 4247 1 10 . 1 1 66 66 LEU CA C 66 54.089 54.089 55.870 -1.781 19449 4248 1 10 . 1 1 66 66 LEU CB C 66 43.732 43.732 41.165 2.567 19449 4249 1 10 . 1 1 66 66 LEU H H 66 7.386 7.386 8.238 -0.852 19449 4250 1 10 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.475 0.056 19449 4251 1 10 . 1 1 67 67 HIS CA C 67 57.560 57.560 55.366 2.194 19449 4252 1 10 . 1 1 67 67 HIS CB C 67 29.560 29.560 30.137 -0.577 19449 4253 1 10 . 1 1 68 68 SER N N 68 113.247 113.247 116.629 -3.382 19449 4254 1 10 . 1 1 68 68 SER HA H 68 4.521 4.521 4.598 -0.077 19449 4255 1 10 . 1 1 68 68 SER C C 68 172.449 172.449 172.907 -0.458 19449 4256 1 10 . 1 1 68 68 SER CA C 68 57.887 57.887 57.333 0.554 19449 4257 1 10 . 1 1 68 68 SER CB C 68 63.781 63.781 65.385 -1.604 19449 4258 1 10 . 1 1 68 68 SER H H 68 7.505 7.505 8.354 -0.849 19449 4259 1 10 . 1 1 69 69 ILE N N 69 122.511 122.511 116.559 5.952 19449 4260 1 10 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.619 0.341 19449 4261 1 10 . 1 1 69 69 ILE C C 69 173.796 173.796 174.183 -0.387 19449 4262 1 10 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.475 -0.221 19449 4263 1 10 . 1 1 69 69 ILE CB C 69 41.297 41.297 40.885 0.412 19449 4264 1 10 . 1 1 69 69 ILE H H 69 8.172 8.172 8.105 0.067 19449 4265 1 10 . 1 1 70 70 SER N N 70 122.242 122.242 116.686 5.556 19449 4266 1 10 . 1 1 70 70 SER HA H 70 4.683 4.683 4.717 -0.034 19449 4267 1 10 . 1 1 70 70 SER C C 70 173.443 173.443 173.257 0.186 19449 4268 1 10 . 1 1 70 70 SER CA C 70 56.687 56.687 58.605 -1.918 19449 4269 1 10 . 1 1 70 70 SER CB C 70 64.027 64.027 64.220 -0.193 19449 4270 1 10 . 1 1 70 70 SER H H 70 8.428 8.428 8.187 0.241 19449 4271 1 10 . 1 1 71 71 ILE N N 71 125.615 125.615 123.581 2.034 19449 4272 1 10 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.543 -0.374 19449 4273 1 10 . 1 1 71 71 ILE C C 71 173.769 173.769 174.343 -0.574 19449 4274 1 10 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.454 1.137 19449 4275 1 10 . 1 1 71 71 ILE CB C 71 40.978 40.978 40.951 0.027 19449 4276 1 10 . 1 1 71 71 ILE H H 71 8.615 8.615 8.430 0.185 19449 4277 1 10 . 1 1 72 72 LYS N N 72 129.141 129.141 127.145 1.996 19449 4278 1 10 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.710 -0.082 19449 4279 1 10 . 1 1 72 72 LYS C C 72 174.425 174.425 174.923 -0.498 19449 4280 1 10 . 1 1 72 72 LYS CA C 72 55.278 55.278 54.480 0.798 19449 4281 1 10 . 1 1 72 72 LYS CB C 72 35.146 35.146 35.690 -0.544 19449 4282 1 10 . 1 1 72 72 LYS H H 72 8.419 8.419 9.016 -0.597 19449 4283 1 10 . 1 1 73 73 THR N N 73 116.054 116.054 114.413 1.641 19449 4284 1 10 . 1 1 73 73 THR HA H 73 4.695 4.695 4.133 0.562 19449 4285 1 10 . 1 1 73 73 THR C C 73 174.550 174.550 173.692 0.858 19449 4286 1 10 . 1 1 73 73 THR CA C 73 58.793 58.793 60.938 -2.144 19449 4287 1 10 . 1 1 73 73 THR CB C 73 68.752 68.752 69.298 -0.546 19449 4288 1 10 . 1 1 73 73 THR H H 73 8.258 8.258 8.261 -0.003 19449 4289 1 10 . 1 1 74 74 ILE N N 74 124.787 124.787 126.976 -2.189 19449 4290 1 10 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.479 -0.248 19449 4291 1 10 . 1 1 74 74 ILE C C 74 175.033 175.033 174.523 0.510 19449 4292 1 10 . 1 1 74 74 ILE CA C 74 60.813 60.813 60.357 0.456 19449 4293 1 10 . 1 1 74 74 ILE CB C 74 40.771 40.771 42.451 -1.680 19449 4294 1 10 . 1 1 74 74 ILE H H 74 8.655 8.655 7.891 0.764 19449 4295 1 10 . 1 1 75 75 SER N N 75 121.778 121.778 118.259 3.519 19449 4296 1 10 . 1 1 75 75 SER HA H 75 4.574 4.574 5.461 -0.887 19449 4297 1 10 . 1 1 75 75 SER C C 75 173.153 173.153 174.677 -1.524 19449 4298 1 10 . 1 1 75 75 SER CA C 75 58.586 58.586 56.631 1.955 19449 4299 1 10 . 1 1 75 75 SER CB C 75 64.245 64.245 65.384 -1.139 19449 4300 1 10 . 1 1 75 75 SER H H 75 8.306 8.306 8.532 -0.226 19449 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 72 3.185 -0.044 3.207 19449 2 1 1 "Average Difference" HA 75 0.363 0.064 0.360 19449 3 1 1 "Average Difference" C 69 1.065 -0.202 1.053 19449 4 1 1 "Average Difference" CA 74 1.257 -0.290 1.231 19449 5 1 1 "Average Difference" CB 72 1.355 -0.362 1.315 19449 6 1 1 "Average Difference" HN 72 0.618 -0.114 0.611 19449 7 1 2 "Average Difference" N 72 3.012 -0.108 3.032 19449 8 1 2 "Average Difference" HA 75 0.324 0.085 0.315 19449 9 1 2 "Average Difference" C 69 0.997 -0.244 0.973 19449 10 1 2 "Average Difference" CA 74 1.282 -0.313 1.252 19449 11 1 2 "Average Difference" CB 72 1.137 -0.293 1.106 19449 12 1 2 "Average Difference" HN 72 0.601 -0.110 0.595 19449 13 1 3 "Average Difference" N 72 3.129 0.191 3.145 19449 14 1 3 "Average Difference" HA 75 0.353 0.083 0.345 19449 15 1 3 "Average Difference" C 69 0.983 -0.177 0.974 19449 16 1 3 "Average Difference" CA 74 1.186 -0.275 1.162 19449 17 1 3 "Average Difference" CB 72 1.224 -0.356 1.180 19449 18 1 3 "Average Difference" HN 72 0.610 -0.068 0.610 19449 19 1 4 "Average Difference" N 72 3.435 0.254 3.449 19449 20 1 4 "Average Difference" HA 75 0.368 0.098 0.357 19449 21 1 4 "Average Difference" C 69 1.005 -0.230 0.986 19449 22 1 4 "Average Difference" CA 74 1.229 -0.466 1.145 19449 23 1 4 "Average Difference" CB 72 1.177 -0.265 1.155 19449 24 1 4 "Average Difference" HN 72 0.581 -0.075 0.580 19449 25 1 5 "Average Difference" N 72 3.035 -0.264 3.045 19449 26 1 5 "Average Difference" HA 75 0.353 0.089 0.343 19449 27 1 5 "Average Difference" C 69 1.034 -0.200 1.022 19449 28 1 5 "Average Difference" CA 74 1.369 -0.309 1.343 19449 29 1 5 "Average Difference" CB 72 1.243 -0.223 1.231 19449 30 1 5 "Average Difference" HN 72 0.609 -0.082 0.607 19449 31 1 6 "Average Difference" N 72 3.220 0.078 3.241 19449 32 1 6 "Average Difference" HA 75 0.331 0.063 0.327 19449 33 1 6 "Average Difference" C 69 1.077 -0.095 1.081 19449 34 1 6 "Average Difference" CA 74 1.200 -0.210 1.190 19449 35 1 6 "Average Difference" CB 72 1.190 -0.443 1.112 19449 36 1 6 "Average Difference" HN 72 0.615 -0.116 0.608 19449 37 1 7 "Average Difference" N 72 3.174 -0.150 3.193 19449 38 1 7 "Average Difference" HA 75 0.354 0.096 0.343 19449 39 1 7 "Average Difference" C 69 1.073 -0.224 1.057 19449 40 1 7 "Average Difference" CA 74 1.297 -0.285 1.274 19449 41 1 7 "Average Difference" CB 72 1.202 -0.286 1.175 19449 42 1 7 "Average Difference" HN 72 0.569 -0.153 0.552 19449 43 1 8 "Average Difference" N 72 3.490 0.066 3.514 19449 44 1 8 "Average Difference" HA 75 0.354 0.059 0.351 19449 45 1 8 "Average Difference" C 69 1.132 -0.081 1.138 19449 46 1 8 "Average Difference" CA 74 1.197 -0.248 1.179 19449 47 1 8 "Average Difference" CB 72 1.354 -0.370 1.311 19449 48 1 8 "Average Difference" HN 72 0.636 -0.072 0.636 19449 49 1 9 "Average Difference" N 72 2.939 0.001 2.959 19449 50 1 9 "Average Difference" HA 75 0.325 0.094 0.313 19449 51 1 9 "Average Difference" C 69 1.038 -0.307 0.999 19449 52 1 9 "Average Difference" CA 74 1.188 -0.244 1.171 19449 53 1 9 "Average Difference" CB 72 1.124 -0.194 1.115 19449 54 1 9 "Average Difference" HN 72 0.570 -0.103 0.564 19449 55 1 10 "Average Difference" N 72 3.200 0.011 3.223 19449 56 1 10 "Average Difference" HA 75 0.378 0.073 0.373 19449 57 1 10 "Average Difference" C 69 1.098 -0.187 1.090 19449 58 1 10 "Average Difference" CA 74 1.192 -0.312 1.158 19449 59 1 10 "Average Difference" CB 72 1.239 -0.253 1.221 19449 60 1 10 "Average Difference" HN 72 0.597 -0.115 0.590 19449 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 19449 _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 2 2 ALA N N 2 124.143 124.143 124.753 -0.610 19449 2 1 . 1 1 2 2 ALA HA H 2 4.434 4.434 4.577 -0.143 19449 3 1 . 1 1 2 2 ALA C C 2 177.129 177.129 176.728 0.400 19449 4 1 . 1 1 2 2 ALA CA C 2 52.125 52.125 52.016 0.109 19449 5 1 . 1 1 2 2 ALA CB C 2 20.239 20.239 19.427 0.812 19449 6 1 . 1 1 2 2 ALA H H 2 7.998 7.998 8.243 -0.245 19449 7 1 . 1 1 3 3 ILE N N 3 120.462 120.462 120.022 0.440 19449 8 1 . 1 1 3 3 ILE HA H 3 4.344 4.344 4.258 0.086 19449 9 1 . 1 1 3 3 ILE C C 3 173.994 173.994 175.473 -1.479 19449 10 1 . 1 1 3 3 ILE CA C 3 59.558 59.558 60.692 -1.134 19449 11 1 . 1 1 3 3 ILE CB C 3 39.826 39.826 40.158 -0.332 19449 12 1 . 1 1 3 3 ILE H H 3 8.659 8.659 8.055 0.604 19449 13 1 . 1 1 4 4 SER N N 4 122.216 122.216 121.354 0.862 19449 14 1 . 1 1 4 4 SER HA H 4 4.532 4.532 4.358 0.174 19449 15 1 . 1 1 4 4 SER C C 4 174.562 174.562 175.721 -1.159 19449 16 1 . 1 1 4 4 SER CA C 4 57.162 57.162 58.821 -1.659 19449 17 1 . 1 1 4 4 SER CB C 4 65.966 65.966 63.957 2.009 19449 18 1 . 1 1 4 4 SER H H 4 8.376 8.376 8.484 -0.108 19449 19 1 . 1 1 5 5 ALA N N 5 124.531 124.531 128.189 -3.658 19449 20 1 . 1 1 5 5 ALA HA H 5 3.525 3.525 3.946 -0.421 19449 21 1 . 1 1 5 5 ALA C C 5 179.834 179.834 178.835 0.999 19449 22 1 . 1 1 5 5 ALA CA C 5 55.516 55.516 54.511 1.005 19449 23 1 . 1 1 5 5 ALA CB C 5 18.050 18.050 18.703 -0.653 19449 24 1 . 1 1 5 5 ALA H H 5 8.986 8.986 8.744 0.242 19449 25 1 . 1 1 6 6 GLU N N 6 117.333 117.333 116.404 0.929 19449 26 1 . 1 1 6 6 GLU HA H 6 3.922 3.922 4.167 -0.244 19449 27 1 . 1 1 6 6 GLU C C 6 179.125 179.125 178.187 0.938 19449 28 1 . 1 1 6 6 GLU CA C 6 59.744 59.744 58.516 1.228 19449 29 1 . 1 1 6 6 GLU CB C 6 29.270 29.270 28.856 0.414 19449 30 1 . 1 1 6 6 GLU H H 6 8.526 8.526 8.678 -0.152 19449 31 1 . 1 1 7 7 GLU N N 7 120.933 120.933 119.237 1.696 19449 32 1 . 1 1 7 7 GLU HA H 7 3.874 3.874 4.194 -0.320 19449 33 1 . 1 1 7 7 GLU C C 7 178.705 178.705 178.127 0.578 19449 34 1 . 1 1 7 7 GLU CA C 7 59.016 59.016 57.688 1.328 19449 35 1 . 1 1 7 7 GLU CB C 7 29.609 29.609 29.754 -0.145 19449 36 1 . 1 1 7 7 GLU H H 7 7.696 7.696 7.874 -0.178 19449 37 1 . 1 1 8 8 LEU N N 8 120.345 120.345 120.228 0.117 19449 38 1 . 1 1 8 8 LEU HA H 8 3.728 3.728 4.013 -0.285 19449 39 1 . 1 1 8 8 LEU C C 8 177.984 177.984 177.898 0.086 19449 40 1 . 1 1 8 8 LEU CA C 8 57.938 57.938 57.822 0.116 19449 41 1 . 1 1 8 8 LEU CB C 8 41.743 41.743 41.896 -0.153 19449 42 1 . 1 1 8 8 LEU H H 8 8.092 8.092 7.389 0.703 19449 43 1 . 1 1 9 9 GLU N N 9 118.656 118.656 117.107 1.549 19449 44 1 . 1 1 9 9 GLU HA H 9 3.528 3.528 3.959 -0.431 19449 45 1 . 1 1 9 9 GLU C C 9 177.280 177.280 178.372 -1.092 19449 46 1 . 1 1 9 9 GLU CA C 9 60.629 60.629 59.050 1.579 19449 47 1 . 1 1 9 9 GLU CB C 9 29.143 29.143 28.831 0.312 19449 48 1 . 1 1 9 9 GLU H H 9 8.104 8.104 8.057 0.047 19449 49 1 . 1 1 10 10 LYS N N 10 117.661 117.661 119.032 -1.371 19449 50 1 . 1 1 10 10 LYS HA H 10 3.773 3.773 4.059 -0.286 19449 51 1 . 1 1 10 10 LYS C C 10 179.895 179.895 178.811 1.084 19449 52 1 . 1 1 10 10 LYS CA C 10 59.921 59.921 58.663 1.259 19449 53 1 . 1 1 10 10 LYS CB C 10 32.387 32.387 31.862 0.525 19449 54 1 . 1 1 10 10 LYS H H 10 7.565 7.565 7.715 -0.150 19449 55 1 . 1 1 11 11 ILE N N 11 119.359 119.359 118.614 0.745 19449 56 1 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.793 -0.177 19449 57 1 . 1 1 11 11 ILE C C 11 179.908 179.908 177.750 2.158 19449 58 1 . 1 1 11 11 ILE CA C 11 64.980 64.980 64.280 0.700 19449 59 1 . 1 1 11 11 ILE CB C 11 38.415 38.415 38.183 0.232 19449 60 1 . 1 1 11 11 ILE H H 11 7.894 7.894 7.287 0.607 19449 61 1 . 1 1 12 12 LEU N N 12 121.478 121.478 119.958 1.520 19449 62 1 . 1 1 12 12 LEU HA H 12 3.973 3.973 3.957 0.016 19449 63 1 . 1 1 12 12 LEU C C 12 179.346 179.346 178.691 0.655 19449 64 1 . 1 1 12 12 LEU CA C 12 58.306 58.306 57.245 1.061 19449 65 1 . 1 1 12 12 LEU CB C 12 42.853 42.853 41.322 1.531 19449 66 1 . 1 1 12 12 LEU H H 12 8.180 8.180 7.569 0.611 19449 67 1 . 1 1 13 13 LYS N N 13 119.072 119.072 118.625 0.447 19449 68 1 . 1 1 13 13 LYS HA H 13 3.791 3.791 4.244 -0.453 19449 69 1 . 1 1 13 13 LYS C C 13 177.763 177.763 177.792 -0.029 19449 70 1 . 1 1 13 13 LYS CA C 13 57.895 57.895 58.299 -0.404 19449 71 1 . 1 1 13 13 LYS CB C 13 32.080 32.080 32.194 -0.114 19449 72 1 . 1 1 13 13 LYS H H 13 8.648 8.648 8.038 0.610 19449 73 1 . 1 1 14 14 LYS N N 14 116.972 116.972 117.622 -0.650 19449 74 1 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.071 -0.108 19449 75 1 . 1 1 14 14 LYS C C 14 178.525 178.525 177.810 0.715 19449 76 1 . 1 1 14 14 LYS CA C 14 59.180 59.180 58.353 0.827 19449 77 1 . 1 1 14 14 LYS CB C 14 32.102 32.102 32.259 -0.157 19449 78 1 . 1 1 14 14 LYS H H 14 7.225 7.225 7.664 -0.439 19449 79 1 . 1 1 15 15 SER N N 15 111.938 111.938 112.596 -0.658 19449 80 1 . 1 1 15 15 SER HA H 15 4.206 4.206 4.311 -0.105 19449 81 1 . 1 1 15 15 SER C C 15 172.812 172.812 174.389 -1.577 19449 82 1 . 1 1 15 15 SER CA C 15 60.745 60.745 59.093 1.652 19449 83 1 . 1 1 15 15 SER CB C 15 64.381 64.381 64.368 0.012 19449 84 1 . 1 1 15 15 SER H H 15 6.913 6.913 7.681 -0.769 19449 85 1 . 1 1 16 16 PHE N N 16 118.448 118.448 120.635 -2.187 19449 86 1 . 1 1 16 16 PHE HA H 16 4.856 4.856 5.006 -0.150 19449 87 1 . 1 1 16 16 PHE CA C 16 54.828 54.828 54.071 0.757 19449 88 1 . 1 1 16 16 PHE CB C 16 37.569 37.569 38.142 -0.573 19449 89 1 . 1 1 16 16 PHE H H 16 8.222 8.222 7.905 0.317 19449 90 1 . 1 1 17 17 PRO HA H 17 4.573 4.573 4.333 0.240 19449 91 1 . 1 1 17 17 PRO C C 17 178.807 178.807 177.574 1.233 19449 92 1 . 1 1 17 17 PRO CA C 17 65.800 65.800 65.034 0.766 19449 93 1 . 1 1 17 17 PRO CB C 17 32.018 32.018 32.001 0.017 19449 94 1 . 1 1 18 18 SER N N 18 116.179 116.179 113.324 2.855 19449 95 1 . 1 1 18 18 SER HA H 18 4.716 4.716 4.359 0.357 19449 96 1 . 1 1 18 18 SER C C 18 174.085 174.085 174.466 -0.381 19449 97 1 . 1 1 18 18 SER CA C 18 57.161 57.161 58.836 -1.675 19449 98 1 . 1 1 18 18 SER CB C 18 63.144 63.144 62.955 0.189 19449 99 1 . 1 1 18 18 SER H H 18 9.427 9.427 8.451 0.976 19449 100 1 . 1 1 19 19 SER N N 19 116.639 116.639 116.364 0.275 19449 101 1 . 1 1 19 19 SER HA H 19 4.750 4.750 4.677 0.073 19449 102 1 . 1 1 19 19 SER C C 19 175.392 175.392 174.292 1.100 19449 103 1 . 1 1 19 19 SER CA C 19 58.398 58.398 58.738 -0.340 19449 104 1 . 1 1 19 19 SER CB C 19 66.246 66.246 64.376 1.870 19449 105 1 . 1 1 19 19 SER H H 19 7.303 7.303 7.632 -0.329 19449 106 1 . 1 1 20 20 VAL N N 20 119.200 119.200 124.862 -5.662 19449 107 1 . 1 1 20 20 VAL HA H 20 4.151 4.151 4.201 -0.050 19449 108 1 . 1 1 20 20 VAL C C 20 175.866 175.866 174.875 0.991 19449 109 1 . 1 1 20 20 VAL CA C 20 62.633 62.633 61.726 0.907 19449 110 1 . 1 1 20 20 VAL CB C 20 33.213 33.213 31.678 1.535 19449 111 1 . 1 1 20 20 VAL H H 20 8.354 8.354 8.158 0.196 19449 112 1 . 1 1 21 21 ILE N N 21 128.342 128.342 129.414 -1.072 19449 113 1 . 1 1 21 21 ILE HA H 21 4.685 4.685 4.394 0.291 19449 114 1 . 1 1 21 21 ILE C C 21 174.757 174.757 175.504 -0.747 19449 115 1 . 1 1 21 21 ILE CA C 21 60.521 60.521 61.064 -0.543 19449 116 1 . 1 1 21 21 ILE CB C 21 41.455 41.455 38.504 2.951 19449 117 1 . 1 1 21 21 ILE H H 21 8.668 8.668 8.312 0.356 19449 118 1 . 1 1 22 22 LYS N N 22 128.866 128.866 128.058 0.808 19449 119 1 . 1 1 22 22 LYS HA H 22 4.543 4.543 4.652 -0.109 19449 120 1 . 1 1 22 22 LYS C C 22 174.900 174.900 174.540 0.360 19449 121 1 . 1 1 22 22 LYS CA C 22 55.561 55.561 54.741 0.821 19449 122 1 . 1 1 22 22 LYS CB C 22 35.490 35.490 36.359 -0.869 19449 123 1 . 1 1 22 22 LYS H H 22 9.004 9.004 8.179 0.825 19449 124 1 . 1 1 23 23 ILE N N 23 127.570 127.570 123.820 3.750 19449 125 1 . 1 1 23 23 ILE HA H 23 4.817 4.817 4.808 0.009 19449 126 1 . 1 1 23 23 ILE C C 23 175.206 175.206 176.200 -0.994 19449 127 1 . 1 1 23 23 ILE CA C 23 60.258 60.258 60.267 -0.010 19449 128 1 . 1 1 23 23 ILE CB C 23 40.379 40.379 40.084 0.295 19449 129 1 . 1 1 23 23 ILE H H 23 8.869 8.869 8.468 0.402 19449 130 1 . 1 1 24 24 THR N N 24 122.480 122.480 122.484 -0.004 19449 131 1 . 1 1 24 24 THR HA H 24 4.532 4.532 4.649 -0.117 19449 132 1 . 1 1 24 24 THR C C 24 173.003 173.003 173.000 0.003 19449 133 1 . 1 1 24 24 THR CA C 24 61.182 61.182 61.061 0.120 19449 134 1 . 1 1 24 24 THR CB C 24 71.402 71.402 71.353 0.049 19449 135 1 . 1 1 24 24 THR H H 24 8.856 8.856 8.412 0.444 19449 136 1 . 1 1 25 25 ASP N N 25 126.508 126.508 125.398 1.110 19449 137 1 . 1 1 25 25 ASP HA H 25 4.697 4.697 4.794 -0.097 19449 138 1 . 1 1 25 25 ASP C C 25 176.417 176.417 175.520 0.897 19449 139 1 . 1 1 25 25 ASP CA C 25 53.225 53.225 54.018 -0.793 19449 140 1 . 1 1 25 25 ASP CB C 25 40.744 40.744 40.852 -0.108 19449 141 1 . 1 1 25 25 ASP H H 25 8.984 8.984 8.633 0.351 19449 142 1 . 1 1 26 26 LEU N N 26 125.128 125.128 124.432 0.696 19449 143 1 . 1 1 26 26 LEU HA H 26 4.090 4.090 4.423 -0.333 19449 144 1 . 1 1 26 26 LEU C C 26 177.615 177.615 176.956 0.659 19449 145 1 . 1 1 26 26 LEU CA C 26 56.409 56.409 55.857 0.552 19449 146 1 . 1 1 26 26 LEU CB C 26 42.808 42.808 42.701 0.107 19449 147 1 . 1 1 26 26 LEU H H 26 8.493 8.493 8.677 -0.184 19449 148 1 . 1 1 27 27 VAL N N 27 116.931 116.931 116.358 0.573 19449 149 1 . 1 1 27 27 VAL HA H 27 4.012 4.012 4.266 -0.254 19449 150 1 . 1 1 27 27 VAL C C 27 176.064 176.064 176.506 -0.442 19449 151 1 . 1 1 27 27 VAL CA C 27 62.772 62.772 61.873 0.899 19449 152 1 . 1 1 27 27 VAL CB C 27 34.397 34.397 33.208 1.189 19449 153 1 . 1 1 27 27 VAL H H 27 8.111 8.111 7.650 0.461 19449 154 1 . 1 1 28 28 GLY N N 28 111.338 111.338 109.935 1.403 19449 155 1 . 1 1 28 28 GLY C C 28 174.054 174.054 174.203 -0.149 19449 156 1 . 1 1 28 28 GLY CA C 28 45.634 45.634 45.469 0.165 19449 157 1 . 1 1 28 28 GLY H H 28 8.947 8.947 8.388 0.559 19449 158 1 . 1 1 29 29 ASP N N 29 119.343 119.343 119.943 -0.600 19449 159 1 . 1 1 29 29 ASP C C 29 175.806 175.806 176.153 -0.347 19449 160 1 . 1 1 29 29 ASP CA C 29 52.520 52.520 54.948 -2.428 19449 161 1 . 1 1 29 29 ASP CB C 29 41.120 41.120 40.919 0.200 19449 162 1 . 1 1 29 29 ASP H H 29 7.802 7.802 8.155 -0.353 19449 163 1 . 1 1 30 30 GLN N N 30 116.835 116.835 119.839 -3.004 19449 164 1 . 1 1 30 30 GLN HA H 30 3.581 3.581 4.391 -0.810 19449 165 1 . 1 1 30 30 GLN C C 30 174.351 174.351 175.309 -0.958 19449 166 1 . 1 1 30 30 GLN CA C 30 57.299 57.299 55.459 1.840 19449 167 1 . 1 1 30 30 GLN CB C 30 27.350 27.350 29.622 -2.272 19449 168 1 . 1 1 30 30 GLN H H 30 9.284 9.284 8.001 1.283 19449 169 1 . 1 1 31 31 ASP N N 31 114.773 114.773 121.190 -6.417 19449 170 1 . 1 1 31 31 ASP HA H 31 4.757 4.757 4.428 0.329 19449 171 1 . 1 1 31 31 ASP C C 31 174.994 174.994 174.841 0.153 19449 172 1 . 1 1 31 31 ASP CA C 31 53.587 53.587 54.759 -1.172 19449 173 1 . 1 1 31 31 ASP CB C 31 42.674 42.674 39.131 3.543 19449 174 1 . 1 1 31 31 ASP H H 31 7.762 7.762 8.504 -0.742 19449 175 1 . 1 1 32 32 HIS N N 32 116.715 116.715 119.087 -2.372 19449 176 1 . 1 1 32 32 HIS HA H 32 4.819 4.819 4.623 0.196 19449 177 1 . 1 1 32 32 HIS CA C 32 55.006 55.006 55.477 -0.471 19449 178 1 . 1 1 32 32 HIS CB C 32 30.246 30.246 31.456 -1.210 19449 179 1 . 1 1 32 32 HIS H H 32 7.364 7.364 7.839 -0.475 19449 180 1 . 1 1 33 33 TYR N N 33 118.888 118.888 122.345 -3.457 19449 181 1 . 1 1 33 33 TYR HA H 33 5.281 5.281 4.587 0.694 19449 182 1 . 1 1 33 33 TYR C C 33 175.344 175.344 173.980 1.364 19449 183 1 . 1 1 33 33 TYR CA C 33 57.486 57.486 57.082 0.404 19449 184 1 . 1 1 33 33 TYR CB C 33 42.046 42.046 41.147 0.900 19449 185 1 . 1 1 33 33 TYR H H 33 7.979 7.979 8.285 -0.306 19449 186 1 . 1 1 34 34 ALA N N 34 124.471 124.471 126.094 -1.623 19449 187 1 . 1 1 34 34 ALA HA H 34 4.979 4.979 4.661 0.318 19449 188 1 . 1 1 34 34 ALA C C 34 175.399 175.399 175.463 -0.064 19449 189 1 . 1 1 34 34 ALA CA C 34 51.063 51.063 50.811 0.252 19449 190 1 . 1 1 34 34 ALA CB C 34 20.421 20.421 19.557 0.864 19449 191 1 . 1 1 34 34 ALA H H 34 9.214 9.214 8.767 0.447 19449 192 1 . 1 1 35 35 LEU N N 35 124.614 124.614 127.276 -2.662 19449 193 1 . 1 1 35 35 LEU HA H 35 4.959 4.959 4.755 0.204 19449 194 1 . 1 1 35 35 LEU C C 35 174.694 174.694 175.187 -0.493 19449 195 1 . 1 1 35 35 LEU CA C 35 53.283 53.283 54.208 -0.925 19449 196 1 . 1 1 35 35 LEU CB C 35 45.575 45.575 44.044 1.531 19449 197 1 . 1 1 35 35 LEU H H 35 8.855 8.855 8.827 0.028 19449 198 1 . 1 1 36 36 GLU N N 36 127.949 127.949 125.639 2.310 19449 199 1 . 1 1 36 36 GLU HA H 36 5.234 5.234 4.781 0.453 19449 200 1 . 1 1 36 36 GLU C C 36 174.441 174.441 174.796 -0.355 19449 201 1 . 1 1 36 36 GLU CA C 36 54.797 54.797 54.578 0.219 19449 202 1 . 1 1 36 36 GLU CB C 36 31.608 31.608 31.342 0.266 19449 203 1 . 1 1 36 36 GLU H H 36 9.085 9.085 8.580 0.505 19449 204 1 . 1 1 37 37 ILE N N 37 123.414 123.414 125.835 -2.421 19449 205 1 . 1 1 37 37 ILE HA H 37 5.195 5.195 4.800 0.395 19449 206 1 . 1 1 37 37 ILE C C 37 172.644 172.644 173.758 -1.115 19449 207 1 . 1 1 37 37 ILE CA C 37 58.298 58.298 59.305 -1.007 19449 208 1 . 1 1 37 37 ILE CB C 37 41.651 41.651 41.346 0.305 19449 209 1 . 1 1 37 37 ILE H H 37 8.709 8.709 7.822 0.887 19449 210 1 . 1 1 38 38 SER N N 38 123.499 123.499 123.050 0.449 19449 211 1 . 1 1 38 38 SER HA H 38 5.989 5.989 5.298 0.691 19449 212 1 . 1 1 38 38 SER C C 38 173.645 173.645 172.992 0.653 19449 213 1 . 1 1 38 38 SER CA C 38 55.428 55.428 56.667 -1.239 19449 214 1 . 1 1 38 38 SER CB C 38 64.017 64.017 64.614 -0.597 19449 215 1 . 1 1 38 38 SER H H 38 8.843 8.843 8.435 0.408 19449 216 1 . 1 1 39 39 ASP N N 39 122.449 122.449 125.352 -2.903 19449 217 1 . 1 1 39 39 ASP HA H 39 4.438 4.438 4.880 -0.442 19449 218 1 . 1 1 39 39 ASP C C 39 175.131 175.131 174.207 0.924 19449 219 1 . 1 1 39 39 ASP CA C 39 55.009 55.009 53.434 1.575 19449 220 1 . 1 1 39 39 ASP CB C 39 46.600 46.600 44.030 2.570 19449 221 1 . 1 1 39 39 ASP H H 39 8.211 8.211 8.135 0.076 19449 222 1 . 1 1 40 40 ALA N N 40 129.616 129.616 120.984 8.632 19449 223 1 . 1 1 40 40 ALA HA H 40 4.369 4.369 4.628 -0.259 19449 224 1 . 1 1 40 40 ALA C C 40 180.467 180.467 177.408 3.059 19449 225 1 . 1 1 40 40 ALA CA C 40 53.868 53.868 52.691 1.177 19449 226 1 . 1 1 40 40 ALA CB C 40 18.372 18.372 18.644 -0.272 19449 227 1 . 1 1 40 40 ALA H H 40 8.730 8.730 8.541 0.189 19449 228 1 . 1 1 41 41 GLN N N 41 119.804 119.804 117.566 2.238 19449 229 1 . 1 1 41 41 GLN HA H 41 3.970 3.970 4.284 -0.314 19449 230 1 . 1 1 41 41 GLN C C 41 176.767 176.767 176.348 0.419 19449 231 1 . 1 1 41 41 GLN CA C 41 58.257 58.257 56.196 2.061 19449 232 1 . 1 1 41 41 GLN CB C 41 29.807 29.807 29.609 0.198 19449 233 1 . 1 1 41 41 GLN H H 41 10.188 10.188 8.014 2.174 19449 234 1 . 1 1 42 42 PHE N N 42 114.111 114.111 118.772 -4.661 19449 235 1 . 1 1 42 42 PHE HA H 42 4.559 4.559 4.528 0.031 19449 236 1 . 1 1 42 42 PHE C C 42 176.183 176.183 175.061 1.122 19449 237 1 . 1 1 42 42 PHE CA C 42 55.829 55.829 56.853 -1.024 19449 238 1 . 1 1 42 42 PHE CB C 42 37.612 37.612 38.175 -0.563 19449 239 1 . 1 1 42 42 PHE H H 42 7.010 7.010 7.837 -0.827 19449 240 1 . 1 1 43 43 ASN N N 43 118.260 118.260 119.165 -0.905 19449 241 1 . 1 1 43 43 ASN HA H 43 4.292 4.292 4.374 -0.082 19449 242 1 . 1 1 43 43 ASN C C 43 176.455 176.455 176.246 0.209 19449 243 1 . 1 1 43 43 ASN CA C 43 55.282 55.282 54.344 0.938 19449 244 1 . 1 1 43 43 ASN CB C 43 37.930 37.930 38.196 -0.266 19449 245 1 . 1 1 43 43 ASN H H 43 7.528 7.528 7.927 -0.399 19449 246 1 . 1 1 44 44 GLY N N 44 111.528 111.528 108.950 2.578 19449 247 1 . 1 1 44 44 GLY C C 44 173.888 173.888 174.003 -0.115 19449 248 1 . 1 1 44 44 GLY CA C 44 45.606 45.606 44.939 0.666 19449 249 1 . 1 1 44 44 GLY H H 44 8.697 8.697 8.193 0.504 19449 250 1 . 1 1 45 45 LEU N N 45 120.387 120.387 120.286 0.101 19449 251 1 . 1 1 45 45 LEU HA H 45 4.749 4.749 4.623 0.126 19449 252 1 . 1 1 45 45 LEU C C 45 178.175 178.175 175.841 2.334 19449 253 1 . 1 1 45 45 LEU CA C 45 53.328 53.328 54.275 -0.947 19449 254 1 . 1 1 45 45 LEU CB C 45 44.992 44.992 44.039 0.953 19449 255 1 . 1 1 45 45 LEU H H 45 7.565 7.565 7.770 -0.205 19449 256 1 . 1 1 46 46 SER N N 46 118.894 118.894 114.356 4.538 19449 257 1 . 1 1 46 46 SER HA H 46 4.313 4.313 4.679 -0.366 19449 258 1 . 1 1 46 46 SER C C 46 174.896 174.896 175.574 -0.678 19449 259 1 . 1 1 46 46 SER CA C 46 57.022 57.022 56.498 0.524 19449 260 1 . 1 1 46 46 SER CB C 46 64.252 64.252 64.879 -0.627 19449 261 1 . 1 1 46 46 SER H H 46 8.896 8.896 8.185 0.711 19449 262 1 . 1 1 47 47 LEU N N 47 124.460 124.460 122.945 1.515 19449 263 1 . 1 1 47 47 LEU HA H 47 3.623 3.623 4.387 -0.764 19449 264 1 . 1 1 47 47 LEU C C 47 179.220 179.220 178.853 0.367 19449 265 1 . 1 1 47 47 LEU CA C 47 59.132 59.132 57.932 1.200 19449 266 1 . 1 1 47 47 LEU CB C 47 41.689 41.689 41.313 0.376 19449 267 1 . 1 1 47 47 LEU H H 47 8.720 8.720 8.886 -0.166 19449 268 1 . 1 1 48 48 ILE N N 48 115.654 115.654 119.299 -3.645 19449 269 1 . 1 1 48 48 ILE HA H 48 3.630 3.630 3.904 -0.274 19449 270 1 . 1 1 48 48 ILE C C 48 178.433 178.433 177.707 0.726 19449 271 1 . 1 1 48 48 ILE CA C 48 64.200 64.200 63.655 0.545 19449 272 1 . 1 1 48 48 ILE CB C 48 37.899 37.899 36.554 1.345 19449 273 1 . 1 1 48 48 ILE H H 48 7.920 7.920 7.707 0.213 19449 274 1 . 1 1 49 49 ASN N N 49 120.529 120.529 118.790 1.739 19449 275 1 . 1 1 49 49 ASN HA H 49 4.651 4.651 4.500 0.151 19449 276 1 . 1 1 49 49 ASN C C 49 178.478 178.478 178.187 0.291 19449 277 1 . 1 1 49 49 ASN CA C 49 55.696 55.696 56.332 -0.637 19449 278 1 . 1 1 49 49 ASN CB C 49 37.894 37.894 37.663 0.231 19449 279 1 . 1 1 49 49 ASN H H 49 7.449 7.449 8.314 -0.865 19449 280 1 . 1 1 50 50 GLN N N 50 122.483 122.483 119.276 3.207 19449 281 1 . 1 1 50 50 GLN HA H 50 3.859 3.859 4.060 -0.201 19449 282 1 . 1 1 50 50 GLN C C 50 177.657 177.657 178.354 -0.697 19449 283 1 . 1 1 50 50 GLN CA C 50 59.646 59.646 59.339 0.307 19449 284 1 . 1 1 50 50 GLN CB C 50 27.921 27.921 28.784 -0.863 19449 285 1 . 1 1 50 50 GLN H H 50 8.664 8.664 8.644 0.020 19449 286 1 . 1 1 51 51 HIS N N 51 116.297 116.297 118.485 -2.188 19449 287 1 . 1 1 51 51 HIS HA H 51 3.871 3.871 4.430 -0.559 19449 288 1 . 1 1 51 51 HIS CA C 51 59.635 59.635 59.053 0.582 19449 289 1 . 1 1 51 51 HIS CB C 51 30.111 30.111 30.260 -0.149 19449 290 1 . 1 1 51 51 HIS H H 51 8.206 8.206 7.763 0.443 19449 291 1 . 1 1 52 52 LYS N N 52 120.443 120.443 120.077 0.366 19449 292 1 . 1 1 52 52 LYS HA H 52 3.854 3.854 4.224 -0.370 19449 293 1 . 1 1 52 52 LYS C C 52 178.162 178.162 178.546 -0.384 19449 294 1 . 1 1 52 52 LYS CA C 52 60.085 60.085 59.059 1.026 19449 295 1 . 1 1 52 52 LYS CB C 52 32.652 32.652 32.570 0.082 19449 296 1 . 1 1 52 52 LYS H H 52 8.282 8.282 8.079 0.203 19449 297 1 . 1 1 53 53 LEU N N 53 117.663 117.663 120.423 -2.760 19449 298 1 . 1 1 53 53 LEU HA H 53 4.121 4.121 4.053 0.068 19449 299 1 . 1 1 53 53 LEU C C 53 180.570 180.570 178.773 1.797 19449 300 1 . 1 1 53 53 LEU CA C 53 58.188 58.188 58.240 -0.052 19449 301 1 . 1 1 53 53 LEU CB C 53 42.854 42.854 42.105 0.749 19449 302 1 . 1 1 53 53 LEU H H 53 7.528 7.528 8.374 -0.846 19449 303 1 . 1 1 54 54 VAL N N 54 118.963 118.963 114.760 4.203 19449 304 1 . 1 1 54 54 VAL HA H 54 3.650 3.650 3.895 -0.245 19449 305 1 . 1 1 54 54 VAL C C 54 177.185 177.185 177.473 -0.288 19449 306 1 . 1 1 54 54 VAL CA C 54 66.678 66.678 66.174 0.504 19449 307 1 . 1 1 54 54 VAL CB C 54 31.630 31.630 31.063 0.567 19449 308 1 . 1 1 54 54 VAL H H 54 7.286 7.286 7.661 -0.374 19449 309 1 . 1 1 55 55 LYS N N 55 119.061 119.061 118.121 0.940 19449 310 1 . 1 1 55 55 LYS HA H 55 3.585 3.585 4.211 -0.626 19449 311 1 . 1 1 55 55 LYS C C 55 179.976 179.976 178.696 1.280 19449 312 1 . 1 1 55 55 LYS CA C 55 60.866 60.866 58.221 2.645 19449 313 1 . 1 1 55 55 LYS CB C 55 31.743 31.743 32.107 -0.364 19449 314 1 . 1 1 55 55 LYS H H 55 8.539 8.539 7.540 0.999 19449 315 1 . 1 1 56 56 ASN N N 56 117.807 117.807 118.537 -0.730 19449 316 1 . 1 1 56 56 ASN HA H 56 4.348 4.348 4.634 -0.286 19449 317 1 . 1 1 56 56 ASN C C 56 178.363 178.363 177.453 0.911 19449 318 1 . 1 1 56 56 ASN CA C 56 55.925 55.925 55.576 0.348 19449 319 1 . 1 1 56 56 ASN CB C 56 37.643 37.643 38.390 -0.747 19449 320 1 . 1 1 56 56 ASN H H 56 8.640 8.640 8.180 0.460 19449 321 1 . 1 1 57 57 ALA N N 57 122.142 122.142 121.906 0.236 19449 322 1 . 1 1 57 57 ALA HA H 57 4.153 4.153 4.175 -0.022 19449 323 1 . 1 1 57 57 ALA C C 57 178.976 178.976 177.947 1.030 19449 324 1 . 1 1 57 57 ALA CA C 57 54.504 54.504 54.412 0.092 19449 325 1 . 1 1 57 57 ALA CB C 57 19.003 19.003 18.718 0.285 19449 326 1 . 1 1 57 57 ALA H H 57 7.436 7.436 8.369 -0.933 19449 327 1 . 1 1 58 58 LEU N N 58 115.109 115.109 109.998 5.111 19449 328 1 . 1 1 58 58 LEU HA H 58 4.344 4.344 4.686 -0.342 19449 329 1 . 1 1 58 58 LEU C C 58 177.792 177.792 177.092 0.700 19449 330 1 . 1 1 58 58 LEU CA C 58 53.791 53.791 55.178 -1.387 19449 331 1 . 1 1 58 58 LEU CB C 58 42.566 42.566 42.173 0.393 19449 332 1 . 1 1 58 58 LEU H H 58 7.458 7.458 7.212 0.246 19449 333 1 . 1 1 59 59 SER N N 59 117.442 117.442 115.521 1.921 19449 334 1 . 1 1 59 59 SER HA H 59 3.967 3.967 4.366 -0.399 19449 335 1 . 1 1 59 59 SER C C 59 175.721 175.721 175.753 -0.032 19449 336 1 . 1 1 59 59 SER CA C 59 62.464 62.464 60.730 1.734 19449 337 1 . 1 1 59 59 SER CB C 59 63.058 63.058 63.331 -0.274 19449 338 1 . 1 1 59 59 SER H H 59 7.559 7.559 7.763 -0.204 19449 339 1 . 1 1 60 60 GLU N N 60 118.774 118.774 120.438 -1.664 19449 340 1 . 1 1 60 60 GLU HA H 60 4.149 4.149 4.265 -0.116 19449 341 1 . 1 1 60 60 GLU C C 60 177.223 177.223 177.743 -0.520 19449 342 1 . 1 1 60 60 GLU CA C 60 58.231 58.231 58.046 0.185 19449 343 1 . 1 1 60 60 GLU CB C 60 29.811 29.811 29.810 0.001 19449 344 1 . 1 1 60 60 GLU H H 60 8.491 8.491 8.094 0.397 19449 345 1 . 1 1 61 61 ILE N N 61 112.097 112.097 118.269 -6.172 19449 346 1 . 1 1 61 61 ILE HA H 61 4.260 4.260 4.044 0.216 19449 347 1 . 1 1 61 61 ILE C C 61 177.352 177.352 175.721 1.632 19449 348 1 . 1 1 61 61 ILE CA C 61 61.434 61.434 61.589 -0.155 19449 349 1 . 1 1 61 61 ILE CB C 61 39.900 39.900 38.247 1.653 19449 350 1 . 1 1 61 61 ILE H H 61 7.582 7.582 7.722 -0.140 19449 351 1 . 1 1 62 62 LEU N N 62 124.848 124.848 117.201 7.647 19449 352 1 . 1 1 62 62 LEU HA H 62 4.193 4.193 4.069 0.124 19449 353 1 . 1 1 62 62 LEU C C 62 177.476 177.476 176.720 0.756 19449 354 1 . 1 1 62 62 LEU CA C 62 56.609 56.609 55.234 1.374 19449 355 1 . 1 1 62 62 LEU CB C 62 41.516 41.516 39.088 2.428 19449 356 1 . 1 1 62 62 LEU H H 62 8.113 8.113 7.793 0.319 19449 357 1 . 1 1 63 63 ASN N N 63 117.202 117.202 116.253 0.949 19449 358 1 . 1 1 63 63 ASN HA H 63 4.251 4.251 4.510 -0.259 19449 359 1 . 1 1 63 63 ASN C C 63 174.911 174.911 175.457 -0.546 19449 360 1 . 1 1 63 63 ASN CA C 63 55.685 55.685 54.281 1.404 19449 361 1 . 1 1 63 63 ASN CB C 63 37.948 37.948 38.989 -1.041 19449 362 1 . 1 1 63 63 ASN H H 63 8.507 8.507 8.353 0.154 19449 363 1 . 1 1 64 64 LYS N N 64 118.109 118.109 119.012 -0.903 19449 364 1 . 1 1 64 64 LYS HA H 64 4.265 4.265 4.374 -0.109 19449 365 1 . 1 1 64 64 LYS C C 64 175.964 175.964 175.450 0.514 19449 366 1 . 1 1 64 64 LYS CA C 64 57.592 57.592 55.711 1.881 19449 367 1 . 1 1 64 64 LYS CB C 64 33.841 33.841 34.123 -0.282 19449 368 1 . 1 1 64 64 LYS H H 64 7.691 7.691 7.851 -0.160 19449 369 1 . 1 1 65 65 LYS N N 65 116.060 116.060 121.440 -5.380 19449 370 1 . 1 1 65 65 LYS HA H 65 4.329 4.329 4.325 0.004 19449 371 1 . 1 1 65 65 LYS C C 65 174.912 174.912 176.281 -1.369 19449 372 1 . 1 1 65 65 LYS CA C 65 56.422 56.422 56.259 0.163 19449 373 1 . 1 1 65 65 LYS CB C 65 34.292 34.292 32.724 1.568 19449 374 1 . 1 1 65 65 LYS H H 65 7.805 7.805 8.408 -0.603 19449 375 1 . 1 1 66 66 LEU N N 66 118.796 118.796 121.752 -2.956 19449 376 1 . 1 1 66 66 LEU HA H 66 4.483 4.483 4.338 0.145 19449 377 1 . 1 1 66 66 LEU CA C 66 54.089 54.089 55.386 -1.298 19449 378 1 . 1 1 66 66 LEU CB C 66 43.732 43.732 41.446 2.286 19449 379 1 . 1 1 66 66 LEU H H 66 7.386 7.386 8.205 -0.820 19449 380 1 . 1 1 67 67 HIS HA H 67 4.531 4.531 4.730 -0.199 19449 381 1 . 1 1 67 67 HIS CA C 67 57.560 57.560 55.544 2.016 19449 382 1 . 1 1 67 67 HIS CB C 67 29.560 29.560 31.493 -1.933 19449 383 1 . 1 1 68 68 SER N N 68 113.247 113.247 116.337 -3.090 19449 384 1 . 1 1 68 68 SER HA H 68 4.521 4.521 4.774 -0.253 19449 385 1 . 1 1 68 68 SER C C 68 172.449 172.449 173.345 -0.896 19449 386 1 . 1 1 68 68 SER CA C 68 57.887 57.887 57.819 0.069 19449 387 1 . 1 1 68 68 SER CB C 68 63.781 63.781 64.162 -0.381 19449 388 1 . 1 1 68 68 SER H H 68 7.505 7.505 8.376 -0.871 19449 389 1 . 1 1 69 69 ILE N N 69 122.511 122.511 118.487 4.024 19449 390 1 . 1 1 69 69 ILE HA H 69 4.960 4.960 4.620 0.340 19449 391 1 . 1 1 69 69 ILE C C 69 173.796 173.796 174.474 -0.678 19449 392 1 . 1 1 69 69 ILE CA C 69 59.254 59.254 59.672 -0.419 19449 393 1 . 1 1 69 69 ILE CB C 69 41.297 41.297 41.060 0.237 19449 394 1 . 1 1 69 69 ILE H H 69 8.172 8.172 8.177 -0.005 19449 395 1 . 1 1 70 70 SER N N 70 122.242 122.242 115.962 6.280 19449 396 1 . 1 1 70 70 SER HA H 70 4.683 4.683 4.785 -0.102 19449 397 1 . 1 1 70 70 SER C C 70 173.443 173.443 173.849 -0.406 19449 398 1 . 1 1 70 70 SER CA C 70 56.687 56.687 57.920 -1.233 19449 399 1 . 1 1 70 70 SER CB C 70 64.027 64.027 64.192 -0.165 19449 400 1 . 1 1 70 70 SER H H 70 8.428 8.428 8.233 0.195 19449 401 1 . 1 1 71 71 ILE N N 71 125.615 125.615 127.472 -1.857 19449 402 1 . 1 1 71 71 ILE HA H 71 4.169 4.169 4.393 -0.224 19449 403 1 . 1 1 71 71 ILE C C 71 173.769 173.769 174.580 -0.811 19449 404 1 . 1 1 71 71 ILE CA C 71 61.591 61.591 60.340 1.251 19449 405 1 . 1 1 71 71 ILE CB C 71 40.978 40.978 39.361 1.617 19449 406 1 . 1 1 71 71 ILE H H 71 8.615 8.615 8.626 -0.011 19449 407 1 . 1 1 72 72 LYS N N 72 129.141 129.141 128.481 0.660 19449 408 1 . 1 1 72 72 LYS HA H 72 4.628 4.628 4.545 0.083 19449 409 1 . 1 1 72 72 LYS C C 72 174.425 174.425 175.563 -1.138 19449 410 1 . 1 1 72 72 LYS CA C 72 55.278 55.278 55.188 0.090 19449 411 1 . 1 1 72 72 LYS CB C 72 35.146 35.146 34.877 0.269 19449 412 1 . 1 1 72 72 LYS H H 72 8.419 8.419 8.848 -0.429 19449 413 1 . 1 1 73 73 THR N N 73 116.054 116.054 116.429 -0.375 19449 414 1 . 1 1 73 73 THR HA H 73 4.695 4.695 4.322 0.374 19449 415 1 . 1 1 73 73 THR C C 73 174.550 174.550 173.994 0.556 19449 416 1 . 1 1 73 73 THR CA C 73 58.793 58.793 61.313 -2.520 19449 417 1 . 1 1 73 73 THR CB C 73 68.752 68.752 69.274 -0.522 19449 418 1 . 1 1 73 73 THR H H 73 8.258 8.258 8.322 -0.064 19449 419 1 . 1 1 74 74 ILE N N 74 124.787 124.787 127.417 -2.630 19449 420 1 . 1 1 74 74 ILE HA H 74 4.231 4.231 4.414 -0.183 19449 421 1 . 1 1 74 74 ILE C C 74 175.033 175.033 174.401 0.632 19449 422 1 . 1 1 74 74 ILE CA C 74 60.813 60.813 60.418 0.395 19449 423 1 . 1 1 74 74 ILE CB C 74 40.771 40.771 41.558 -0.786 19449 424 1 . 1 1 74 74 ILE H H 74 8.655 8.655 8.091 0.564 19449 425 1 . 1 1 75 75 SER N N 75 121.778 121.778 120.193 1.585 19449 426 1 . 1 1 75 75 SER HA H 75 4.574 4.574 5.259 -0.685 19449 427 1 . 1 1 75 75 SER C C 75 173.153 173.153 174.063 -0.910 19449 428 1 . 1 1 75 75 SER CA C 75 58.586 58.586 56.595 1.990 19449 429 1 . 1 1 75 75 SER CB C 75 64.245 64.245 65.371 -1.126 19449 430 1 . 1 1 75 75 SER H H 75 8.306 8.306 8.429 -0.123 19449 stop_ save_